A0A077Z1Z9_TRITR Loading...

Sushi domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,417 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
1M30.5Very low30.6Very low233 Ų233166.5 Ų166.5100%1.14885%0.848SS**  0152.20-42.4-175.9-160.100107.3
2R30.7Very low30.6Very low234 Ų234168.8 Ų168.888%0.88385%0.847SS**  cis-125.8166.1-5.1-60.3172.2-179164.41.1106.5
3T34.6Very low30.7Very low127 Ų127167.2 Ų167.278%0.77984%0.842SS**  cis-86.8-145.12.536.50000110.8
4K29.9Very low30.7Very low191 Ų191163.1 Ų163.183%0.8384%0.837SS**  cis64.9157.68.1-54.4-168.4179.7-172.60116.2
5T35.1Very low30.8Very low133 Ų133159.5 Ų159.582%0.81683%0.832SS**  cis-116.5160.5-441.40000112.8
6G28Very low30.9Very low64 Ų64158.9 Ų158.966%0.6683%0.829SS**  trans-168.3153165.800000108.8
7W28.1Very low30.8Very low250 Ų250157.5 Ų157.595%0.94783%0.834SS**  trans-148.4156.4177.5-82.993.1000110.2
8T28.6Very low30.8Very low128 Ų128156.4 Ų156.479%0.78583%0.828SS**  trans-138.5145.8-179.233.30000111.4
9C30Very low30.8Very low118 Ų118156.2 Ų156.280%0.79783%0.826SS**  trans46.2125.4157.8-59.20000120.8
10I32.9Very low30.9Very low168 Ų168156.6 Ų156.686%0.86283%0.828SS**  -168.1158115.6-96.6155.5000109.1
11F28.3Very low31.1Very low186 Ų186154.2 Ų154.282%0.81682%0.821SS**  trans-69.9144.9-179.3-68.5-109000112.4
12F30.1Very low31.3Very low193 Ų193149.8 Ų149.885%0.84681%0.808SS**  -179.5133.8111.8-102.3-74.2000113.1
13L32Very low31.2Very low148 Ų148148.2 Ų148.278%0.77581%0.81SS**  trans14.9124161.8-64.4168.9000122.9
14S31.4Very low30.9Very low110 Ų110145.7 Ų145.777%0.76981%0.809SS**  trans90.2147.6130.677.50000122.5
15S31.3Very low30.9Very low109 Ų109141.6 Ų141.676%0.76281%0.811SS**  trans68.384.6154.6-600000120.9
16L32.8Very low30.5Very low150 Ų150142.3 Ų142.379%0.78582%0.815SS**  44.9119.4115.1-146.581.1000119.4L18L16-L18 HydrophobicContact CD2-CD1 4.12Å; L16-L18 HydrophobicContact CD2-CG 4.43Å; L16-L18 HydrophobicContact CG-CG 4.42Å
17C30Very low30.6Very low135 Ų135142.1 Ų142.191%0.91281%0.813SS**  trans-139.6146.4146.6-158.30000109.4
18L31Very low31Very low138 Ų138139.2 Ų139.272%0.72380%0.804SS**  trans-110.6169.7-160.3-85.6164.5000114.4L16L16-L18 HydrophobicContact CD2-CD1 4.12Å; L16-L18 HydrophobicContact CD2-CG 4.43Å; L16-L18 HydrophobicContact CG-CG 4.42Å
19L30.8Very low31.3Very low152 Ų152138.9 Ų138.980%0.79680%0.801SS**  trans-60.5159.6176-61.1157.7000112.7
20L32.9Very low32.1Very low165 Ų165137.7 Ų137.786%0.86479%0.786SS**  -174.7161.3102.4-89.9174.1000111.3
21P35.2Very low32.8Very low106 Ų106135.4 Ų135.469%0.68878%0.78SS**  trans-105.7177.1-167.141.3-36.2000114.5
22T34.1Very low34Very low141 Ų141133.3 Ų133.387%0.86578%0.777SS**  trans-123.7135.9162.152.60000110.7
23E28.8Very low35.4Very low201 Ų201125.1 Ų125.194%0.93974%0.744SS**  trans-81.3147.3-178.3-55.8-179128.500112.4
24G28.2Very low36.7Very low73 Ų73121.1 Ų121.175%0.75373%0.726SS**  trans173.4133.7172.100000114.4
25A29Very low37.9Very low105 Ų105121.6 Ų121.687%0.86872%0.719SS**  trans56.2101.6173.600000116.8G27A25-G27 PolarHBondContact O-N 3.26Å
26T27.8Very low39.4Very low148 Ų148119.1 Ų119.191%0.90869%0.693SS**  trans-66.3102.2176.652.10000113.2
27G28.9Very low40.4Very low60 Ų60116.9 Ų116.962%0.61969%0.687SS**  trans-120.8116.3163.400000110.6A25 V29A25-G27 PolarHBondContact O-N 3.26Å; G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 3.27Å
28Y36.8Very low41.4Very low190 Ų190116.7 Ų116.775%0.74567%0.673SS**  trans-73.787.7174.1-91.8-92.8000110I30 R121Y28-I30 PolarHBondContact O-N 3.06Å; Y28-I30 VanDerWaalsContact O-N 3.17Å; Y28-R121 PolarHBondContact OH-NH1 3.31Å
29V34.3Very low42.2Very low121 Ų121117.6 Ų117.673%0.73368%0.679SS**  trans-65.1112.4171-179.90000108.5G27 T31G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 3.27Å; V29-T31 PolarHBondContact O-N 2.91Å; V29-T31 VanDerWaalsContact O-N 3.14Å
30I47.5Very low43Very low93 Ų93112 Ų11248%0.47765%0.647SS.*  trans-75.599166.8-65.5165.2000105.9Y28 D32 C33 C67Y28-I30 PolarHBondContact O-N 3.06Å; Y28-I30 VanDerWaalsContact O-N 3.17Å; I30-D32 PolarHBondContact O-N 2.98Å; I30-D32 VanDerWaalsContact O-N 3.11Å; I30-C33 HydrophobicContact CG2-CB 4.18Å; I30-C33 PolarHBondContact O-N 3.26Å; I30-C67 HydrophobicContact CB-CB 4.39Å; I30-C67 HydrophobicContact CD1-CB 3.63Å; I30-C67 HydrophobicContact CG2-CB 4.47Å
31T46.8Very low43.7Very low119 Ų119113.9 Ų113.973%0.7365%0.648SS**THydrogen-bonded Turntrans-58.1-24.1-171.642.40000114.1V29V29-T31 PolarHBondContact O-N 2.91Å; V29-T31 VanDerWaalsContact O-N 3.14Å
32D53.5Low44.4Very low142 Ų142115.2 Ų115.276%0.75965%0.648SS**THydrogen-bonded Turntrans-114.931.8-171.6-57.9-86000112.7I30 P34I30-D32 PolarHBondContact O-N 2.98Å; I30-D32 VanDerWaalsContact O-N 3.11Å; D32-P34 WeakPolarHBondContact O-CD 3.41Å
33C59.8Low44.9Very low22 Ų22115.5 Ų115.515%0.14964%0.64CS.*PPolyproline II helixtrans-87.3118.2175.9-157.90000112.3I30 I35 C67 L73I30-C33 HydrophobicContact CG2-CB 4.18Å; I30-C33 PolarHBondContact O-N 3.26Å; C33-I35 PolarHBondContact O-N 2.8Å; C33-C67 HydrophobicContact CB-CB 3.88Å; C33-C67 WeakPolarHBondContact CB-SG 3.4Å; C33-C67 WeakPolarHBondContact SG-CA 3.3Å; C33-C67 WeakPolarHBondContact SG-CB 3.3Å; C33-C67 CovalentContact SG-SG 2.03Å; C33-C67 PolarHBondContact SG-SG 2.95Å; C33-L73 HydrophobicContact CB-CD2 4.49Å; C33-L73 HydrophobicContact CB-CG 4.49Å
34P59.8Low45.7Very low63 Ų63110 Ų11041%0.40961%0.613SS.*PPolyproline II helixtrans-73.7130-175.727.8-33.9000112.9D32 G72 L73D32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-G72 WeakPolarHBondContact O-CA 3.4Å; P34-L73 PolarHBondContact O-N 2.81Å
35I57.2Low46.8Very low121 Ų121109.1 Ų109.162%0.62160%0.604SS**PPolyproline II helixtrans-76131171.5-58.3172000109.1C33 L54 L73C33-I35 PolarHBondContact O-N 2.8Å; I35-L54 HydrophobicContact CD1-CD2 3.98Å; I35-L54 HydrophobicContact CG1-CD2 4.18Å; I35-L54 HydrophobicContact CG2-CD2 3.85Å; I35-L73 HydrophobicContact CG1-CD1 4.36Å
36R61.6Low47.7Very low57 Ų57114.3 Ų114.322%0.21561%0.606CS.*  trans-121.3134.8176.9-69.1-171.6174.2173.86.6112.1W40 S52 E70R36-W40 HydrophobicContact CB-CD2 4.39Å; R36-W40 HydrophobicContact CB-CG 4.35Å; R36-S52 WeakPolarHBondContact O-CB 3.29Å; R36-S52 PolarHBondContact O-OG 2.94Å; R36-E70 PolarHBondContact NH1-O 2.74Å; R36-E70 PolarHBondContact NH2-O 2.94Å
37P54.7Low49Very low102 Ų102113.2 Ų113.266%0.66259%0.591SS**  trans-75.8152.8179.731.4-35.5000112.3N39 W40P37-N39 PolarHBondContact O-N 2.7Å; P37-W40 WeakPolarHBondContact O-CB 3.48Å; P37-W40 PolarHBondContact O-N 2.74Å
38E51.7Low50.5Low132 Ų132121.3 Ų121.362%0.61760%0.603SS**THydrogen-bonded Turntrans-56.7-18.4-167.8-63.2-167.3116.600116.5W40 K51E38-W40 PolarHBondContact O-N 2.89Å; E38-K51 WeakPolarHBondContact OE1-CE 3.26Å; E38-K51 IonicContact OE1-NZ 3.48Å
39N47Very low51.9Low156 Ų156113.8 Ų113.883%0.83458%0.578SS**THydrogen-bonded Turntrans-77.70.1-176.6-69-23.5000114.9P37 K41P37-N39 PolarHBondContact O-N 2.7Å; N39-K41 VanDerWaalsContact C-N 3.25Å; N39-K41 PolarHBondContact O-N 2.04Å
40W47.6Very low53.6Low35 Ų35113.6 Ų113.613%0.13356%0.564CS.*  trans-76.940.7-16475.7-72.5000116.9R36 P37 E38 I42 F44 C49 R50 C71R36-W40 HydrophobicContact CB-CD2 4.39Å; R36-W40 HydrophobicContact CB-CG 4.35Å; P37-W40 WeakPolarHBondContact O-CB 3.48Å; P37-W40 PolarHBondContact O-N 2.74Å; E38-W40 PolarHBondContact O-N 2.89Å; W40-I42 PolarHBondContact O-N 2.92Å; W40-F44 HydrophobicContact CZ3-CD2 4.32Å; W40-C49 HydrophobicContact CH2-CB 3.02Å; W40-C49 WeakPolarHBondContact CH2-SG 2.98Å; W40-C49 HydrophobicContact CZ2-CB 3.61Å; W40-C49 HydrophobicContact CZ3-CB 3.6Å; W40-C49 VanDerWaalsContact CZ3-SG 3.54Å; W40-R50 WeakPolarHBondContact CZ2-O 3.04Å; W40-C71 VanDerWaalsContact CH2-CA 3.47Å; W40-C71 HydrophobicContact CH2-CB 3.64Å; W40-C71 WeakPolarHBondContact CH2-O 3.42Å; W40-C71 HydrophobicContact CZ2-CB 4.49Å; W40-C71 WeakPolarHBondContact CZ2-O 3.38Å; W40-C71 HydrophobicContact CZ3-CB 4.48Å
41K48.2Very low54.9Low205 Ų205113.9 Ų113.989%0.89156%0.562SS**  trans-69.128.1179.8-65.8-176.9179.9173.60115.2N39N39-K41 VanDerWaalsContact C-N 3.25Å; N39-K41 PolarHBondContact O-N 2.04Å
42I48.8Very low56.4Low133 Ų133108.7 Ų108.768%0.68253%0.53SS*.  trans-86.3123.9175-58.9172.9000107.7W40 F44W40-I42 PolarHBondContact O-N 2.92Å; I42-F44 PolarHBondContact O-N 3.12Å
43Q45.5Very low57.7Low148 Ų148102.2 Ų102.269%0.69250%0.496SS*.  trans-69.5118.4-178.2-77-178.9-118.600112.1G45Q43-G45 VanDerWaalsContact C-N 3.29Å; Q43-G45 PolarHBondContact NE2-O 2.99Å; Q43-G45 PolarHBondContact O-N 3.26Å; Q43-G45 VanDerWaalsContact O-N 3.14Å
44F44.7Very low58.6Low86 Ų86106.6 Ų106.638%0.37752%0.517SS..BIsolated β-bridgetrans-81.883.6158.7-73.9-98.3000107.8W40 I42 K46 H47W40-F44 HydrophobicContact CZ3-CD2 4.32Å; I42-F44 PolarHBondContact O-N 3.12Å; F44-K46 PolarHBondContact O-N 2.88Å; F44-H47 PolarHBondContact O-N 3.4Å
45G51.8Low59.7Low54 Ų54109.1 Ų109.156%0.55753%0.527SS*.THydrogen-bonded Turntrans58.7-128179.800000114.3Q43Q43-G45 VanDerWaalsContact C-N 3.29Å; Q43-G45 PolarHBondContact NE2-O 2.99Å; Q43-G45 PolarHBondContact O-N 3.26Å; Q43-G45 VanDerWaalsContact O-N 3.14Å
46K48.3Very low60.8Low213 Ų213106.9 Ų106.993%0.92652%0.516SS*.THydrogen-bonded Turntrans-81.8-17.2-179.4-70.9-177.6178.8176.60113.4F44 R48F44-K46 PolarHBondContact O-N 2.88Å; K46-R48 PolarHBondContact O-N 2.85Å
47H54.4Low61.8Low126 Ų126108.4 Ų108.458%0.58354%0.541SS*.BIsolated β-bridgetrans-83.4112.9-178.2-87.8-75.1000111.6F44 C49F44-H47 PolarHBondContact O-N 3.4Å; H47-C49 PolarHBondContact O-N 3.29Å; H47-C49 VanDerWaalsContact O-N 3.12Å
48R60.7Low63Low229 Ų229106.4 Ų106.486%0.86453%0.525SS*.  trans-77.191162.8-76.3-171.6178.6179.71.4109.1K46K46-R48 PolarHBondContact O-N 2.85Å
49C66.2Low64.5Low33 Ų33100.8 Ų100.822%0.22350%0.5CS..  trans-55159.1166.5-54.60000112W40 H47 C71W40-C49 HydrophobicContact CH2-CB 3.02Å; W40-C49 WeakPolarHBondContact CH2-SG 2.98Å; W40-C49 HydrophobicContact CZ2-CB 3.61Å; W40-C49 HydrophobicContact CZ3-CB 3.6Å; W40-C49 VanDerWaalsContact CZ3-SG 3.54Å; H47-C49 PolarHBondContact O-N 3.29Å; H47-C49 VanDerWaalsContact O-N 3.12Å; C49-C71 HydrophobicContact CB-CB 3.7Å; C49-C71 WeakPolarHBondContact CB-SG 3.04Å; C49-C71 WeakPolarHBondContact SG-CB 3.31Å; C49-C71 CovalentContact SG-SG 2.04Å; C49-C71 PolarHBondContact SG-SG 2.85Å
50R69.4Low66.2Low117 Ų11795.3 Ų95.344%0.44248%0.481SS..  trans-101.1-177.1-175.6-109.8-178.5178173.9-13.4113.9W40 S52 H63 C75W40-R50 WeakPolarHBondContact CZ2-O 3.04Å; R50-S52 PolarHBondContact O-N 2.9Å; R50-H63 VanDerWaalsContact CZ-NE2 3.27Å; R50-H63 PolarHBondContact NH1-CD2 2.77Å; R50-H63 PolarHBondContact NH1-NE2 2.83Å; R50-H63 PolarHBondContact NH2-NE2 3.3Å; R50-C75 WeakPolarHBondContact CD-O 3.47Å; R50-C75 PolarHBondContact NH1-O 3.18Å
51K75.7Confident67.8Low98 Ų9899.4 Ų99.443%0.42651%0.511SS..  trans-49.6131.5170.6-165.9-154.4165.7-171.30108.9E38 D58 C75E38-K51 WeakPolarHBondContact OE1-CE 3.26Å; E38-K51 IonicContact OE1-NZ 3.48Å; K51-D58 PolarHBondContact NZ-O 3.28Å; K51-C75 PolarHBondContact O-N 2.82Å
52S77.1Confident69.4Low11 Ų1197 Ų978%0.07750%0.501CS..BIsolated β-bridgetrans-65.8153.2169.643.60000111.1R36 R50 L73R36-S52 WeakPolarHBondContact O-CB 3.29Å; R36-S52 PolarHBondContact O-OG 2.94Å; R50-S52 PolarHBondContact O-N 2.9Å; S52-L73 WeakPolarHBondContact CA-O 3.06Å
53C81.3Confident71.2Confident6 Ų692.5 Ų92.54%0.04148%0.477CS..  trans-148.7162.2-178.656.70000111.3D58 C65 L73 S74C53-D58 HydrophobicContact CB-CB 3.81Å; C53-C65 VanDerWaalsContact C-SG 3.53Å; C53-C65 HydrophobicContact CB-CB 3.77Å; C53-C65 WeakPolarHBondContact CB-SG 3.03Å; C53-C65 WeakPolarHBondContact SG-CA 3.32Å; C53-C65 WeakPolarHBondContact SG-CB 3.33Å; C53-C65 CovalentContact SG-SG 2.03Å; C53-C65 PolarHBondContact SG-SG 2.9Å; C53-L73 PolarHBondContact N-O 2.94Å; C53-L73 VanDerWaalsContact O-CB 3.27Å; C53-L73 WeakPolarHBondContact O-CB 3.44Å; C53-S74 VanDerWaalsContact SG-C 3.59Å
54L79Confident72.9Confident113 Ų11389.1 Ų89.159%0.59246%0.461SS*.SBendtrans-122.1-29.6169.2-62.7171000110.7I35 D58I35-L54 HydrophobicContact CD1-CD2 3.98Å; I35-L54 HydrophobicContact CG1-CD2 4.18Å; I35-L54 HydrophobicContact CG2-CD2 3.85Å; L54-D58 PolarHBondContact N-OD2 2.99Å
55L82.9Confident74.8Confident117 Ų11786.1 Ų86.161%0.61345%0.45SS*.SBendtrans-132.4157.5-179.5-64.5168.9000110.7A57 D58L55-A57 HydrophobicContact CB-CB 4.49Å; L55-A57 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact O-N 3.11Å; L55-D58 PolarHBondContact N-OD2 3.14Å; L55-D58 WeakPolarHBondContact O-CB 3.43Å; L55-D58 PolarHBondContact O-N 2.98Å
56D80.9Confident76.1Confident73 Ų7385.2 Ų85.239%0.3943%0.433SS..G310 helixtrans-58.9-23.3172.8-82.4-7.6000113.2D58 C59 Q64 C65D56-D58 VanDerWaalsContact C-N 3.33Å; D56-C59 PolarHBondContact O-N 2.81Å; D56-Q64 VanDerWaalsContact CG-CG 3.41Å; D56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; D56-Q64 VanDerWaalsContact OD2-CG 3.27Å; D56-Q64 WeakPolarHBondContact OD2-CG 3.42Å; D56-Q64 PolarHBondContact OD2-NE2 2.9Å; D56-C65 PolarHBondContact OD1-N 2.89Å
57A81.8Confident77.4Confident90 Ų9075.9 Ų75.974%0.74439%0.394SS*.G310 helixtrans-70.8-21.7174.900000114.1L55 C59L55-A57 HydrophobicContact CB-CB 4.49Å; L55-A57 PolarHBondContact O-N 2.86Å; L55-A57 VanDerWaalsContact O-N 3.11Å; A57-C59 PolarHBondContact O-N 2.89Å
58D80.3Confident78.3Confident60 Ų6070.8 Ų70.832%0.32137%0.371SS..G310 helixtrans-73.2-14.1177.2-62.7-44.9000112.6K51 C53 L54 L55 D56K51-D58 PolarHBondContact NZ-O 3.28Å; C53-D58 HydrophobicContact CB-CB 3.81Å; L54-D58 PolarHBondContact N-OD2 2.99Å; L55-D58 PolarHBondContact N-OD2 3.14Å; L55-D58 WeakPolarHBondContact O-CB 3.43Å; L55-D58 PolarHBondContact O-N 2.98Å; D56-D58 VanDerWaalsContact C-N 3.33Å
59C83.1Confident78.7Confident13 Ų1364.8 Ų64.89%0.08835%0.353CS..SBendtrans-106.2134.6-173.8-61.60000111D56 A57 H63 C75D56-C59 PolarHBondContact O-N 2.81Å; A57-C59 PolarHBondContact O-N 2.89Å; C59-H63 HydrophobicContact CB-CB 3.81Å; C59-C75 WeakPolarHBondContact CA-SG 3.4Å; C59-C75 HydrophobicContact CB-CB 3.83Å; C59-C75 WeakPolarHBondContact CB-SG 3.4Å; C59-C75 VanDerWaalsContact SG-CA 3.5Å; C59-C75 WeakPolarHBondContact SG-CB 3.37Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 3.39Å
60G82.2Confident78.7Confident42 Ų4268.4 Ų68.443%0.43337%0.367SS..  trans-62.1152.2178.300000112.3K62 H63G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.85Å; G60-H63 VanDerWaalsContact O-CB 3.22Å; G60-H63 WeakPolarHBondContact O-CB 3.38Å; G60-H63 PolarHBondContact O-N 3.22Å; G60-H63 PolarHBondContact O-ND1 3.37Å
61P82.4Confident78.8Confident120 Ų12063.1 Ų63.178%0.77935%0.347SS*.THydrogen-bonded Turntrans-51.5-30.5-154.113.8-30.8000117.3H63 K78P61-H63 PolarHBondContact O-N 3.25Å; P61-K78 PolarHBondContact O-NZ 3.46Å
62K80.9Confident78.7Confident156 Ų15658.4 Ų58.468%0.67833%0.327SS*.THydrogen-bonded Turntrans-7913.6176.5-58.7-175.1178.3-177.90114.3G60 K78G60-K62 VanDerWaalsContact C-N 3.25Å; G60-K62 PolarHBondContact O-N 2.85Å; K62-K78 PolarHBondContact O-N 2.79Å
63H85.9Confident78.8Confident37 Ų3759.9 Ų59.917%0.17133%0.333CS..EExtended strand (participates in β ladder)trans-136.2161.3-170.8-5593.1000112.3R50 C59 G60 P61 C75 I76 K78R50-H63 VanDerWaalsContact CZ-NE2 3.27Å; R50-H63 PolarHBondContact NH1-CD2 2.77Å; R50-H63 PolarHBondContact NH1-NE2 2.83Å; R50-H63 PolarHBondContact NH2-NE2 3.3Å; C59-H63 HydrophobicContact CB-CB 3.81Å; G60-H63 VanDerWaalsContact O-CB 3.22Å; G60-H63 WeakPolarHBondContact O-CB 3.38Å; G60-H63 PolarHBondContact O-N 3.22Å; G60-H63 PolarHBondContact O-ND1 3.37Å; P61-H63 PolarHBondContact O-N 3.25Å; H63-C75 HydrophobicContact CB-CB 4.35Å; H63-I76 CarbonylContact C-O 3.56Å; H63-I76 WeakPolarHBondContact CA-O 3.33Å; H63-I76 VanDerWaalsContact CB-O 3.27Å; H63-I76 WeakPolarHBondContact CB-O 3.48Å; H63-K78 WeakPolarHBondContact O-CE 3.31Å; H63-K78 PolarHBondContact O-NZ 3.07Å
64Q83Confident78.7Confident78 Ų7859.6 Ų59.636%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-140.8149.9-178.2-159.1170.46.600109.3D56 I66 C75 I76 K78D56-Q64 VanDerWaalsContact CG-CG 3.41Å; D56-Q64 WeakPolarHBondContact OD1-CG 3.45Å; D56-Q64 VanDerWaalsContact OD2-CG 3.27Å; D56-Q64 WeakPolarHBondContact OD2-CG 3.42Å; D56-Q64 PolarHBondContact OD2-NE2 2.9Å; Q64-I66 HydrophobicContact CB-CD1 4.33Å; Q64-I66 HydrophobicContact CB-CG1 4.34Å; Q64-I66 HydrophobicContact CG-CG1 4.44Å; Q64-C75 CarbonylContact O-C 3.57Å; Q64-C75 WeakPolarHBondContact O-CA 3.5Å; Q64-I76 PolarHBondContact N-O 2.78Å; Q64-I76 PolarHBondContact O-N 2.61Å; Q64-K78 HydrophobicContact CB-CG 4.02Å
65C84.6Confident79Confident22 Ų2254.5 Ų54.515%0.14931%0.305CS..EExtended strand (participates in β ladder)trans-86.8113.9-179.9-169.10000110.5C53 D56C53-C65 VanDerWaalsContact C-SG 3.53Å; C53-C65 HydrophobicContact CB-CB 3.77Å; C53-C65 WeakPolarHBondContact CB-SG 3.03Å; C53-C65 WeakPolarHBondContact SG-CA 3.32Å; C53-C65 WeakPolarHBondContact SG-CB 3.33Å; C53-C65 CovalentContact SG-SG 2.03Å; C53-C65 PolarHBondContact SG-SG 2.9Å; D56-C65 PolarHBondContact OD1-N 2.89Å
66I79Confident78.9Confident36 Ų3649.7 Ų49.719%0.18528%0.28CS..EExtended strand (participates in β ladder)trans-138.3150.2-174.5-49.1-178.7000110.3Q64 S74 I76 V102Q64-I66 HydrophobicContact CB-CD1 4.33Å; Q64-I66 HydrophobicContact CB-CG1 4.34Å; Q64-I66 HydrophobicContact CG-CG1 4.44Å; I66-S74 PolarHBondContact N-O 3.36Å; I66-S74 VanDerWaalsContact N-O 3.12Å; I66-S74 PolarHBondContact O-N 2.86Å; I66-I76 HydrophobicContact CB-CB 4.33Å; I66-I76 HydrophobicContact CB-CG1 3.99Å; I66-I76 HydrophobicContact CD1-CB 4.13Å; I66-I76 HydrophobicContact CD1-CG2 4.26Å; I66-I76 HydrophobicContact CG1-CB 4.33Å; I66-V102 HydrophobicContact CD1-CB 4.21Å; I66-V102 HydrophobicContact CD1-CG1 3.68Å; I66-V102 HydrophobicContact CG2-CG1 3.77Å
67C75.6Confident78.9Confident16 Ų1654 Ų5411%0.10829%0.291CS..EExtended strand (participates in β ladder)trans-69.9129.2173.2-1640000112.1I30 C33 G126I30-C67 HydrophobicContact CB-CB 4.39Å; I30-C67 HydrophobicContact CD1-CB 3.63Å; I30-C67 HydrophobicContact CG2-CB 4.47Å; C33-C67 HydrophobicContact CB-CB 3.88Å; C33-C67 WeakPolarHBondContact CB-SG 3.4Å; C33-C67 WeakPolarHBondContact SG-CA 3.3Å; C33-C67 WeakPolarHBondContact SG-CB 3.3Å; C33-C67 CovalentContact SG-SG 2.03Å; C33-C67 PolarHBondContact SG-SG 2.95Å; C67-G126 PolarHBondContact O-N 2.87Å
68D72.9Confident78.5Confident19 Ų1954.6 Ų54.610%0.10228%0.277CS..  trans-129.533.9-167.5-168.321.6000110.2E70 C71 G72 S74 I76 N127D68-E70 PolarHBondContact O-N 3.39Å; D68-C71 HydrophobicContact CB-CB 3.74Å; D68-C71 WeakPolarHBondContact O-CB 3.3Å; D68-C71 PolarHBondContact O-N 2.76Å; D68-C71 VanDerWaalsContact OD2-CB 3.28Å; D68-C71 WeakPolarHBondContact OD2-CB 3.36Å; D68-C71 PolarHBondContact OD2-SG 2.04Å; D68-G72 WeakPolarHBondContact CB-O 3.44Å; D68-G72 PolarHBondContact N-O 3.13Å; D68-S74 WeakPolarHBondContact OD2-CB 3.34Å; D68-S74 PolarHBondContact OD2-OG 2.93Å; D68-I76 HydrophobicContact CB-CD1 4.31Å; D68-N127 PolarHBondContact OD1-N 2.92Å
69Q68.6Low78.1Confident104 Ų10454 Ų5449%0.48629%0.285SS..G310 helixtrans39.3-93179.9-74.5-174.7-30.100115.1C71 G72 N127Q69-C71 PolarHBondContact O-N 2.97Å; Q69-G72 PolarHBondContact O-N 3.43Å; Q69-G72 VanDerWaalsContact O-N 3.16Å; Q69-N127 PolarHBondContact OE1-ND2 2.69Å
70E66.4Low77.6Confident109 Ų10954.1 Ų54.151%0.50929%0.286SS..G310 helixtrans-52.6-26.6176.8-61.2-169.7156.500113.2R36 D68R36-E70 PolarHBondContact NH1-O 2.74Å; R36-E70 PolarHBondContact NH2-O 2.94Å; D68-E70 PolarHBondContact O-N 3.39Å
71C70.3Confident77.5Confident5 Ų557 Ų573%0.03429%0.288CS..G310 helixtrans-101.1-11.4-173.7-62.70000114.3W40 C49 D68 Q69W40-C71 VanDerWaalsContact CH2-CA 3.47Å; W40-C71 HydrophobicContact CH2-CB 3.64Å; W40-C71 WeakPolarHBondContact CH2-O 3.42Å; W40-C71 HydrophobicContact CZ2-CB 4.49Å; W40-C71 WeakPolarHBondContact CZ2-O 3.38Å; W40-C71 HydrophobicContact CZ3-CB 4.48Å; C49-C71 HydrophobicContact CB-CB 3.7Å; C49-C71 WeakPolarHBondContact CB-SG 3.04Å; C49-C71 WeakPolarHBondContact SG-CB 3.31Å; C49-C71 CovalentContact SG-SG 2.04Å; C49-C71 PolarHBondContact SG-SG 2.85Å; D68-C71 HydrophobicContact CB-CB 3.74Å; D68-C71 WeakPolarHBondContact O-CB 3.3Å; D68-C71 PolarHBondContact O-N 2.76Å; D68-C71 VanDerWaalsContact OD2-CB 3.28Å; D68-C71 WeakPolarHBondContact OD2-CB 3.36Å; D68-C71 PolarHBondContact OD2-SG 2.04Å; Q69-C71 PolarHBondContact O-N 2.97Å
72G74.2Confident77.3Confident0 Ų051.6 Ų51.60%025%0.253CS..  trans71.6-149.1-172.900000113.5P34 D68 Q69 S74P34-G72 WeakPolarHBondContact O-CA 3.4Å; D68-G72 WeakPolarHBondContact CB-O 3.44Å; D68-G72 PolarHBondContact N-O 3.13Å; Q69-G72 PolarHBondContact O-N 3.43Å; Q69-G72 VanDerWaalsContact O-N 3.16Å; G72-S74 PolarHBondContact O-N 2.86Å
73L78.9Confident77Confident41 Ų4147.3 Ų47.322%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-73.8113.6171.3-72.8172.8000110.8C33 P34 I35 S52 C53C33-L73 HydrophobicContact CB-CD2 4.49Å; C33-L73 HydrophobicContact CB-CG 4.49Å; P34-L73 PolarHBondContact O-N 2.81Å; I35-L73 HydrophobicContact CG1-CD1 4.36Å; S52-L73 WeakPolarHBondContact CA-O 3.06Å; C53-L73 PolarHBondContact N-O 2.94Å; C53-L73 VanDerWaalsContact O-CB 3.27Å; C53-L73 WeakPolarHBondContact O-CB 3.44Å
74S79.3Confident76.2Confident1 Ų150.3 Ų50.31%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-134147.3-170.1130.60000112.2C53 I66 D68 G72 I76C53-S74 VanDerWaalsContact SG-C 3.59Å; I66-S74 PolarHBondContact N-O 3.36Å; I66-S74 VanDerWaalsContact N-O 3.12Å; I66-S74 PolarHBondContact O-N 2.86Å; D68-S74 WeakPolarHBondContact OD2-CB 3.34Å; D68-S74 PolarHBondContact OD2-OG 2.93Å; G72-S74 PolarHBondContact O-N 2.86Å; S74-I76 VanDerWaalsContact C-N 3.34Å; S74-I76 PolarHBondContact O-N 2.94Å
75C85.5Confident75.1Confident5 Ų552.8 Ų52.83%0.03428%0.28CS..EExtended strand (participates in β ladder)trans-74.578.9179.8-69.80000113R50 K51 C59 H63 Q64R50-C75 WeakPolarHBondContact CD-O 3.47Å; R50-C75 PolarHBondContact NH1-O 3.18Å; K51-C75 PolarHBondContact O-N 2.82Å; C59-C75 WeakPolarHBondContact CA-SG 3.4Å; C59-C75 HydrophobicContact CB-CB 3.83Å; C59-C75 WeakPolarHBondContact CB-SG 3.4Å; C59-C75 VanDerWaalsContact SG-CA 3.5Å; C59-C75 WeakPolarHBondContact SG-CB 3.37Å; C59-C75 CovalentContact SG-SG 2.04Å; C59-C75 PolarHBondContact SG-SG 3.39Å; H63-C75 HydrophobicContact CB-CB 4.35Å; Q64-C75 CarbonylContact O-C 3.57Å; Q64-C75 WeakPolarHBondContact O-CA 3.5Å
76I81.1Confident73.9Confident17 Ų1752.7 Ų52.79%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-65.6152.3173.7-59.3-55.7000110.7H63 Q64 I66 D68 S74 S80 V102H63-I76 CarbonylContact C-O 3.56Å; H63-I76 WeakPolarHBondContact CA-O 3.33Å; H63-I76 VanDerWaalsContact CB-O 3.27Å; H63-I76 WeakPolarHBondContact CB-O 3.48Å; Q64-I76 PolarHBondContact N-O 2.78Å; Q64-I76 PolarHBondContact O-N 2.61Å; I66-I76 HydrophobicContact CB-CB 4.33Å; I66-I76 HydrophobicContact CB-CG1 3.99Å; I66-I76 HydrophobicContact CD1-CB 4.13Å; I66-I76 HydrophobicContact CD1-CG2 4.26Å; I66-I76 HydrophobicContact CG1-CB 4.33Å; D68-I76 HydrophobicContact CB-CD1 4.31Å; S74-I76 VanDerWaalsContact C-N 3.34Å; S74-I76 PolarHBondContact O-N 2.94Å; I76-S80 WeakPolarHBondContact CG2-OG 3.32Å; I76-V102 HydrophobicContact CG2-CG2 4.43Å
77R79.9Confident73Confident162 Ų16255.7 Ų55.761%0.61130%0.298SS*.EExtended strand (participates in β ladder)trans-77.5131.7177.8-176.7177.5173.1167.5-4.1109.7G79 S80R77-G79 PolarHBondContact O-N 2.68Å; R77-S80 WeakPolarHBondContact O-CB 3.05Å; R77-S80 PolarHBondContact O-N 3.03Å; R77-S80 PolarHBondContact O-OG 3.14Å
78K73.9Confident72.4Confident104 Ų10458.1 Ų58.145%0.45233%0.325SS..THydrogen-bonded Turntrans-57.3129.3170.9-74.7171.9175155.20108.7P61 K62 H63 Q64P61-K78 PolarHBondContact O-NZ 3.46Å; K62-K78 PolarHBondContact O-N 2.79Å; H63-K78 WeakPolarHBondContact O-CE 3.31Å; H63-K78 PolarHBondContact O-NZ 3.07Å; Q64-K78 HydrophobicContact CB-CG 4.02Å
79G71.7Confident72.5Confident48 Ų4857.9 Ų57.950%0.49532%0.324SS..THydrogen-bonded Turntrans72.938.1-169.200000114.1R77 H81R77-G79 PolarHBondContact O-N 2.68Å; G79-H81 PolarHBondContact O-CD2 2.66Å
80S73.5Confident72.7Confident15 Ų1556.3 Ų56.311%0.10533%0.328CS..  trans-82.1133.8163.3-62.60000108.8I76 R77 I101 V102I76-S80 WeakPolarHBondContact CG2-OG 3.32Å; R77-S80 WeakPolarHBondContact O-CB 3.05Å; R77-S80 PolarHBondContact O-N 3.03Å; R77-S80 PolarHBondContact O-OG 3.14Å; S80-I101 CarbonylContact O-C 3.46Å; S80-I101 VanDerWaalsContact O-CA 3.24Å; S80-I101 WeakPolarHBondContact O-CA 3.39Å; S80-V102 PolarHBondContact O-N 2.83Å
81H79.3Confident73.3Confident101 Ų10154.7 Ų54.747%0.46832%0.323SS..BIsolated β-bridgetrans-110144.2-176.5-57.8-88.7000112.8G79 A100 R128G79-H81 PolarHBondContact O-CD2 2.66Å; H81-A100 CarbonylContact C-O 3.5Å; H81-A100 VanDerWaalsContact CA-O 3.25Å; H81-A100 WeakPolarHBondContact CA-O 3.31Å; H81-R128 WeakPolarHBondContact O-CD 3.3Å
82C78.5Confident73.9Confident8 Ų855.4 Ų55.45%0.05433%0.331CS..  trans-79.6162.7158.4-71.10000110.9A100 C124 R128 W130C82-A100 PolarHBondContact N-O 2.69Å; C82-C124 HydrophobicContact CB-CB 3.92Å; C82-C124 WeakPolarHBondContact CB-SG 3.24Å; C82-C124 WeakPolarHBondContact SG-CA 3.48Å; C82-C124 WeakPolarHBondContact SG-CB 3.39Å; C82-C124 CovalentContact SG-SG 2.02Å; C82-C124 PolarHBondContact SG-SG 2.79Å; C82-R128 PolarHBondContact SG-O 2.93Å; C82-R128 VanDerWaalsContact SG-O 3.32Å; C82-W130 HydrophobicContact CB-CZ2 4.08Å
83S75.5Confident74.4Confident65 Ų6559.6 Ų59.646%0.45535%0.351SS..  trans-65.5135.1168.644.60000111.3V85 W130S83-V85 PolarHBondContact O-N 2.94Å; S83-W130 PolarHBondContact O-NE1 2.68Å
84L68.8Low74.7Confident100 Ų10058.7 Ų58.752%0.52435%0.347SS..  trans-81.85.9168.3-82.3168000113.1I86 Y96 A100L84-I86 PolarHBondContact O-N 3.34Å; L84-Y96 HydrophobicContact CD2-CD1 4.13Å; L84-A100 HydrophobicContact CD1-CB 4.29Å; L84-A100 HydrophobicContact CD2-CB 3.8Å; L84-A100 HydrophobicContact CG-CB 3.71Å
85V60.4Low75Confident131 Ų13165.5 Ų65.579%0.79437%0.373SS*.  trans-81.284.8178.9-171.90000109S83S83-V85 PolarHBondContact O-N 2.94Å
86I59.4Low74.8Confident19 Ų1970.6 Ų70.610%0.09739%0.392CS..  trans-123.5133.1162.4-60.5-170000106.4L84 I106 W130L84-I86 PolarHBondContact O-N 3.34Å; I86-I106 HydrophobicContact CD1-CD1 3.7Å; I86-W130 HydrophobicContact CD1-CD2 4.35Å; I86-W130 HydrophobicContact CD1-CG 4.01Å
87T58.3Low74.8Confident100 Ų10071.1 Ų71.161%0.61340%0.396SS*.  trans-67.7156.8178.525.90000112.1L89 E134T87-L89 PolarHBondContact O-N 3.44Å; T87-E134 PolarHBondContact OG1-OE1 3.07Å; T87-E134 VanDerWaalsContact OG1-OE1 3.1Å
88G63.4Low74.6Confident67 Ų6774 Ų7469%0.69141%0.413SS*.  trans-63.8131.6179.700000111.9A90G88-A90 PolarHBondContact O-N 2.73Å; G88-A90 VanDerWaalsContact O-N 3.09Å
89L74.7Confident74.7Confident14 Ų1474.6 Ų74.67%0.07342%0.418CS..  trans-63.1108171.4176.463.4000109.2T87 N91 G92 V94 Y108 E109 L116 P135T87-L89 PolarHBondContact O-N 3.44Å; L89-N91 PolarHBondContact O-N 2.82Å; L89-G92 CarbonylContact O-C 3.47Å; L89-G92 PolarHBondContact O-N 2.82Å; L89-G92 VanDerWaalsContact O-O 3.07Å; L89-V94 HydrophobicContact CB-CG2 3.74Å; L89-Y108 HydrophobicContact CB-CD1 4.44Å; L89-Y108 HydrophobicContact CD2-CD1 4.11Å; L89-E109 VanDerWaalsContact CD2-O 3.31Å; L89-E109 WeakPolarHBondContact CD2-O 3.44Å; L89-L116 HydrophobicContact CD1-CD1 4.34Å; L89-L116 HydrophobicContact CD2-CD1 3.89Å; L89-P135 WeakPolarHBondContact CD1-O 3.44Å
90A74.7Confident75.2Confident70 Ų7072.5 Ų72.558%0.57940%0.396SS*.THydrogen-bonded Turntrans-59.9132.5177.600000109.9G88 G92 C137G88-A90 PolarHBondContact O-N 2.73Å; G88-A90 VanDerWaalsContact O-N 3.09Å; A90-G92 PolarHBondContact O-N 2.9Å; A90-C137 WeakPolarHBondContact O-CB 3.38Å
91N78.1Confident75.5Confident75 Ų7574.5 Ų74.540%0.40140%0.404SS..THydrogen-bonded Turntrans56.134.4-173.5-51.4-46.2000114.2L89 S111 Y114 C137L89-N91 PolarHBondContact O-N 2.82Å; N91-S111 WeakPolarHBondContact O-CB 3.48Å; N91-S111 PolarHBondContact O-N 2.82Å; N91-S111 PolarHBondContact O-OG 3.24Å; N91-Y114 HydrophobicContact CB-CD1 3.54Å; N91-Y114 HydrophobicContact CB-CD2 3.81Å; N91-Y114 HydrophobicContact CB-CE1 3.64Å; N91-Y114 HydrophobicContact CB-CE2 3.91Å; N91-Y114 HydrophobicContact CB-CG 3.64Å; N91-Y114 VanDerWaalsContact CG-CZ 3.48Å; N91-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; N91-C137 HydrophobicContact CB-CB 4.03Å; N91-C137 WeakPolarHBondContact O-CB 3.11Å; N91-C137 PolarHBondContact O-SG 2.79Å
92G82.5Confident75.3Confident20 Ų2070.7 Ų70.721%0.20639%0.388CS..EExtended strand (participates in β ladder)trans-161.3-170.6174.700000113.5L89 A90 E109L89-G92 CarbonylContact O-C 3.47Å; L89-G92 PolarHBondContact O-N 2.82Å; L89-G92 VanDerWaalsContact O-O 3.07Å; A90-G92 PolarHBondContact O-N 2.9Å; G92-E109 CarbonylContact C-O 3.48Å; G92-E109 WeakPolarHBondContact CA-O 3.39Å
93H85.4Confident75Confident88 Ų8872.9 Ų72.941%0.40741%0.413SS..EExtended strand (participates in β ladder)trans-139.3150.5179.456.4-85.5000111.7E109H93-E109 IonicContact CD2-OE2 3.62Å; H93-E109 IonicContact CE1-OE2 3.8Å; H93-E109 PolarHBondContact N-O 3.38Å; H93-E109 VanDerWaalsContact NE2-CB 3.28Å; H93-E109 WeakPolarHBondContact NE2-CB 3.29Å; H93-E109 IonicContact NE2-OE2 2.8Å; H93-E109 PolarHBondContact NE2-OE2 3.36Å; H93-E109 PolarHBondContact O-N 3.07Å
94V85.4Confident75.4Confident22 Ų2270.9 Ų70.913%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-116121.4-172.4-175.80000108.9L89 Y96 I106 Y108L89-V94 HydrophobicContact CB-CG2 3.74Å; V94-Y96 HydrophobicContact CB-CE2 3.93Å; V94-Y96 HydrophobicContact CG1-CD1 4.29Å; V94-Y96 HydrophobicContact CG1-CD2 4.48Å; V94-Y96 HydrophobicContact CG1-CE1 3.78Å; V94-Y96 HydrophobicContact CG1-CE2 3.99Å; V94-Y96 WeakPolarHBondContact O-CD2 3.49Å; V94-Y96 WeakPolarHBondContact O-CE2 3.09Å; V94-I106 HydrophobicContact CG1-CG2 3.35Å; V94-Y108 HydrophobicContact CG1-CD1 4.34Å; V94-Y108 HydrophobicContact CG1-CE1 4.21Å; V94-Y108 HydrophobicContact CG2-CD1 3.86Å; V94-Y108 HydrophobicContact CG2-CE1 3.98Å
95R85.5Confident76Confident145 Ų14567.4 Ų67.455%0.54738%0.383SS..EExtended strand (participates in β ladder)trans-91.3106.2175.3-57-163.2-165.1-1547.4110I106 K107 E109R95-I106 WeakPolarHBondContact O-CA 3.5Å; R95-K107 HydrophobicContact CB-CB 4.28Å; R95-K107 PolarHBondContact N-O 3.35Å; R95-K107 PolarHBondContact O-N 3.11Å; R95-K107 VanDerWaalsContact O-N 3.11Å; R95-E109 IonicContact CZ-OE1 3.3Å; R95-E109 VanDerWaalsContact CZ-OE1 3.3Å; R95-E109 IonicContact CZ-OE2 3.29Å; R95-E109 VanDerWaalsContact CZ-OE2 3.29Å; R95-E109 IonicContact NE-OE1 2.74Å; R95-E109 PolarHBondContact NE-OE1 2.93Å; R95-E109 IonicContact NE-OE2 3Å; R95-E109 PolarHBondContact NE-OE2 3.38Å; R95-E109 IonicContact NH2-OE1 3.23Å; R95-E109 PolarHBondContact NH2-OE1 3.28Å; R95-E109 IonicContact NH2-OE2 2.73Å; R95-E109 PolarHBondContact NH2-OE2 3.05Å
96Y81Confident77.2Confident112 Ų11261.2 Ų61.244%0.43935%0.345SS..  trans-80.2148.1177.7-60-81.1000112.5L84 V94 I106L84-Y96 HydrophobicContact CD2-CD1 4.13Å; V94-Y96 HydrophobicContact CB-CE2 3.93Å; V94-Y96 HydrophobicContact CG1-CD1 4.29Å; V94-Y96 HydrophobicContact CG1-CD2 4.48Å; V94-Y96 HydrophobicContact CG1-CE1 3.78Å; V94-Y96 HydrophobicContact CG1-CE2 3.99Å; V94-Y96 WeakPolarHBondContact O-CD2 3.49Å; V94-Y96 WeakPolarHBondContact O-CE2 3.09Å; Y96-I106 HydrophobicContact CD1-CD1 3.96Å; Y96-I106 HydrophobicContact CD1-CG1 4.23Å; Y96-I106 HydrophobicContact CE1-CD1 4.23Å
97P80.7Confident78.4Confident27 Ų2765.6 Ų65.618%0.17536%0.363CS..  trans-71.3153.3167.533-36.7000110.8E99 W130P97-E99 PolarHBondContact O-N 3.17Å; P97-W130 HydrophobicContact CG-CH2 4.34Å
98K76.3Confident79.8Confident222 Ų22261.1 Ų61.197%0.96534%0.335SS*.SBendtrans-57.1-33.7175.6-70.2-172.3176.6-175.30112.9
99E76.4Confident80.8Confident118 Ų11860.5 Ų60.555%0.55132%0.315SS*.SBendtrans-135.5135.3171.8-64.2-178.7-161.900110P97 I101 S104P97-E99 PolarHBondContact O-N 3.17Å; E99-I101 HydrophobicContact CB-CG2 4.2Å; E99-I101 PolarHBondContact O-N 2.96Å; E99-S104 WeakPolarHBondContact O-CB 3.44Å; E99-S104 PolarHBondContact O-OG 2.79Å
100A80.6Confident81.3Confident4 Ų461.3 Ų61.33%0.03332%0.321CS..  trans-81.239.8178.300000113.4H81 C82 L84 W130H81-A100 CarbonylContact C-O 3.5Å; H81-A100 VanDerWaalsContact CA-O 3.25Å; H81-A100 WeakPolarHBondContact CA-O 3.31Å; C82-A100 PolarHBondContact N-O 2.69Å; L84-A100 HydrophobicContact CD1-CB 4.29Å; L84-A100 HydrophobicContact CD2-CB 3.8Å; L84-A100 HydrophobicContact CG-CB 3.71Å; A100-W130 HydrophobicContact CB-CZ2 4.34Å
101I80.7Confident81.6Confident56 Ų5660.4 Ų60.429%0.28731%0.31SS..BIsolated β-bridgetrans-69.6157.417856.8172.7000112.4S80 E99 G103 S104 C124S80-I101 CarbonylContact O-C 3.46Å; S80-I101 VanDerWaalsContact O-CA 3.24Å; S80-I101 WeakPolarHBondContact O-CA 3.39Å; E99-I101 HydrophobicContact CB-CG2 4.2Å; E99-I101 PolarHBondContact O-N 2.96Å; I101-G103 PolarHBondContact O-N 2.63Å; I101-S104 WeakPolarHBondContact CG1-OG 3.39Å; I101-S104 WeakPolarHBondContact O-CB 3.49Å; I101-S104 PolarHBondContact O-N 3.33Å; I101-S104 PolarHBondContact O-OG 3.02Å; I101-C124 WeakPolarHBondContact O-CB 3.28Å; I101-C124 PolarHBondContact O-SG 2.92Å
102V75.4Confident81.4Confident21 Ų2161.8 Ų61.813%0.12733%0.332CS..THydrogen-bonded Turntrans-55.3128.7171.3179.60000110I66 I76 S80 C124 Q125I66-V102 HydrophobicContact CD1-CB 4.21Å; I66-V102 HydrophobicContact CD1-CG1 3.68Å; I66-V102 HydrophobicContact CG2-CG1 3.77Å; I76-V102 HydrophobicContact CG2-CG2 4.43Å; S80-V102 PolarHBondContact O-N 2.83Å; V102-C124 VanDerWaalsContact CA-SG 3.52Å; V102-Q125 WeakPolarHBondContact CG2-O 3.38Å
103G72.7Confident80.8Confident55 Ų5564 Ų6457%0.56736%0.355SS*.THydrogen-bonded Turntrans96.1-21.1-169.700000115I101 C124I101-G103 PolarHBondContact O-N 2.63Å; G103-C124 PolarHBondContact N-O 3.11Å
104S82.3Confident80.3Confident23 Ų2363.8 Ų63.816%0.16135%0.351CS..  trans-65153174.1-74.80000112E99 I101 V123 C124 W130E99-S104 WeakPolarHBondContact O-CB 3.44Å; E99-S104 PolarHBondContact O-OG 2.79Å; I101-S104 WeakPolarHBondContact CG1-OG 3.39Å; I101-S104 WeakPolarHBondContact O-CB 3.49Å; I101-S104 PolarHBondContact O-N 3.33Å; I101-S104 PolarHBondContact O-OG 3.02Å; S104-V123 WeakPolarHBondContact O-CA 3.24Å; S104-C124 PolarHBondContact O-N 2.79Å; S104-W130 WeakPolarHBondContact O-CZ3 3.02Å
105S81.9Confident79.5Confident27 Ų2768.9 Ų68.919%0.18937%0.368CS..EExtended strand (participates in β ladder)trans-131.5136.2-179.570.50000113.8R121 R122S105-R121 VanDerWaalsContact CB-NE 3.27Å; S105-R121 PolarHBondContact OG-NE 2.8Å; S105-R121 PolarHBondContact OG-NH2 3.41Å; S105-R122 CarbonylContact C-O 3.39Å; S105-R122 WeakPolarHBondContact CA-O 3.21Å; S105-R122 WeakPolarHBondContact CB-O 3.3Å
106I85.1Confident79Confident0 Ų064.6 Ų64.60%036%0.356CS..EExtended strand (participates in β ladder)trans-90.9144.2169.5-71.5169.9000109.4I86 V94 R95 Y96 Y108 R121 R122 W130I86-I106 HydrophobicContact CD1-CD1 3.7Å; V94-I106 HydrophobicContact CG1-CG2 3.35Å; R95-I106 WeakPolarHBondContact O-CA 3.5Å; Y96-I106 HydrophobicContact CD1-CD1 3.96Å; Y96-I106 HydrophobicContact CD1-CG1 4.23Å; Y96-I106 HydrophobicContact CE1-CD1 4.23Å; I106-Y108 HydrophobicContact CG2-CD2 4.28Å; I106-Y108 HydrophobicContact CG2-CE2 3.84Å; I106-R121 VanDerWaalsContact O-CA 3.26Å; I106-R121 WeakPolarHBondContact O-CA 3.36Å; I106-R121 VanDerWaalsContact O-CG 3.32Å; I106-R121 WeakPolarHBondContact O-CG 3.38Å; I106-R122 PolarHBondContact N-O 2.73Å; I106-R122 PolarHBondContact O-N 3.35Å; I106-W130 HydrophobicContact CB-CZ3 4.32Å; I106-W130 HydrophobicContact CD1-CD2 4.14Å; I106-W130 HydrophobicContact CD1-CE3 4.24Å; I106-W130 HydrophobicContact CD1-CH2 3.63Å; I106-W130 HydrophobicContact CD1-CZ2 3.47Å; I106-W130 VanDerWaalsContact CD1-CZ2 3.47Å; I106-W130 HydrophobicContact CD1-CZ3 4Å; I106-W130 HydrophobicContact CG1-CE3 4.47Å; I106-W130 HydrophobicContact CG1-CH2 3.65Å; I106-W130 HydrophobicContact CG1-CZ2 4.04Å; I106-W130 HydrophobicContact CG1-CZ3 3.88Å
107K86.3Confident78.6Confident111 Ų11163.4 Ų63.448%0.48336%0.359SS..EExtended strand (participates in β ladder)trans-115150.8169.7-60.8-178.1176.7-175.10111.3R95 A120 R121R95-K107 HydrophobicContact CB-CB 4.28Å; R95-K107 PolarHBondContact N-O 3.35Å; R95-K107 PolarHBondContact O-N 3.11Å; R95-K107 VanDerWaalsContact O-N 3.11Å; K107-A120 WeakPolarHBondContact CA-O 3.41Å; K107-R121 HydrophobicContact CG-CG 4.41Å
108Y86.7Confident78.1Confident7 Ų764.5 Ų64.53%0.02738%0.376CS..EExtended strand (participates in β ladder)trans-123134.7-179.3-65.2-93000110.8L89 V94 I106 A120 R122 P135L89-Y108 HydrophobicContact CB-CD1 4.44Å; L89-Y108 HydrophobicContact CD2-CD1 4.11Å; V94-Y108 HydrophobicContact CG1-CD1 4.34Å; V94-Y108 HydrophobicContact CG1-CE1 4.21Å; V94-Y108 HydrophobicContact CG2-CD1 3.86Å; V94-Y108 HydrophobicContact CG2-CE1 3.98Å; I106-Y108 HydrophobicContact CG2-CD2 4.28Å; I106-Y108 HydrophobicContact CG2-CE2 3.84Å; Y108-A120 PolarHBondContact N-O 3.17Å; Y108-R122 HydrophobicContact CE2-CB 4.41Å; Y108-R122 HydrophobicContact CE2-CG 3.86Å; Y108-R122 WeakPolarHBondContact OH-CD 3.49Å; Y108-R122 PolarHBondContact OH-NH1 2.87Å; Y108-P135 HydrophobicContact CD1-CG 3.49Å; Y108-P135 VanDerWaalsContact CD1-CG 3.49Å; Y108-P135 HydrophobicContact CD2-CG 3.73Å; Y108-P135 HydrophobicContact CE1-CG 3.83Å; Y108-P135 HydrophobicContact CE2-CG 4.07Å; Y108-P135 HydrophobicContact CG-CG 3.41Å; Y108-P135 VanDerWaalsContact CG-CG 3.41Å
109E85.3Confident78Confident54 Ų5456.2 Ų56.225%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-140.7143.1-177-75.6161.3-148.700109.2L89 G92 H93 R95L89-E109 VanDerWaalsContact CD2-O 3.31Å; L89-E109 WeakPolarHBondContact CD2-O 3.44Å; G92-E109 CarbonylContact C-O 3.48Å; G92-E109 WeakPolarHBondContact CA-O 3.39Å; H93-E109 IonicContact CD2-OE2 3.62Å; H93-E109 IonicContact CE1-OE2 3.8Å; H93-E109 PolarHBondContact N-O 3.38Å; H93-E109 VanDerWaalsContact NE2-CB 3.28Å; H93-E109 WeakPolarHBondContact NE2-CB 3.29Å; H93-E109 IonicContact NE2-OE2 2.8Å; H93-E109 PolarHBondContact NE2-OE2 3.36Å; H93-E109 PolarHBondContact O-N 3.07Å; R95-E109 IonicContact CZ-OE1 3.3Å; R95-E109 VanDerWaalsContact CZ-OE1 3.3Å; R95-E109 IonicContact CZ-OE2 3.29Å; R95-E109 VanDerWaalsContact CZ-OE2 3.29Å; R95-E109 IonicContact NE-OE1 2.74Å; R95-E109 PolarHBondContact NE-OE1 2.93Å; R95-E109 IonicContact NE-OE2 3Å; R95-E109 PolarHBondContact NE-OE2 3.38Å; R95-E109 IonicContact NH2-OE1 3.23Å; R95-E109 PolarHBondContact NH2-OE1 3.28Å; R95-E109 IonicContact NH2-OE2 2.73Å; R95-E109 PolarHBondContact NH2-OE2 3.05Å
110C83.6Confident78.3Confident30 Ų3053.2 Ų53.220%0.20334%0.34CS..EExtended strand (participates in β ladder)trans-95.9157.7179.2-63.80000112.9Y114 R115 L116 C137C110-Y114 WeakPolarHBondContact CB-O 3.42Å; C110-R115 VanDerWaalsContact SG-C 3.53Å; C110-L116 WeakPolarHBondContact SG-CA 3.18Å; C110-L116 VanDerWaalsContact SG-CB 3.52Å; C110-L116 WeakPolarHBondContact SG-CD1 3.02Å; C110-L116 PolarHBondContact SG-N 2.85Å; C110-C137 VanDerWaalsContact CA-SG 3.54Å; C110-C137 HydrophobicContact CB-CB 3.9Å; C110-C137 WeakPolarHBondContact CB-SG 3.06Å; C110-C137 WeakPolarHBondContact SG-CB 3.33Å; C110-C137 CovalentContact SG-SG 2.04Å; C110-C137 PolarHBondContact SG-SG 3.4Å
111S81.2Confident78.5Confident51 Ų5157.8 Ų57.836%0.35736%0.357SS..PPolyproline II helixtrans-70.7157.4169.3-55.10000111.4N91 G113 Y114N91-S111 WeakPolarHBondContact O-CB 3.48Å; N91-S111 PolarHBondContact O-N 2.82Å; N91-S111 PolarHBondContact O-OG 3.24Å; S111-G113 PolarHBondContact O-N 2.89Å; S111-Y114 PolarHBondContact O-N 2.69Å; S111-Y114 VanDerWaalsContact O-N 3.15Å
112A75.4Confident78.7Confident104 Ų10456.3 Ų56.386%0.8635%0.347SS*.THydrogen-bonded Turntrans-56.1135.8176.500000111.3
113G68.6Low79.1Confident66 Ų6657.5 Ų57.568%0.6836%0.355SS*.THydrogen-bonded Turntrans93-8.6-174.100000115.4S111S111-G113 PolarHBondContact O-N 2.89Å
114Y75.2Confident79.6Confident84 Ų8455 Ų5533%0.32933%0.329SS..  trans-123.8147-178.2-58-99.5000112.4N91 C110 S111 T138 T139N91-Y114 HydrophobicContact CB-CD1 3.54Å; N91-Y114 HydrophobicContact CB-CD2 3.81Å; N91-Y114 HydrophobicContact CB-CE1 3.64Å; N91-Y114 HydrophobicContact CB-CE2 3.91Å; N91-Y114 HydrophobicContact CB-CG 3.64Å; N91-Y114 VanDerWaalsContact CG-CZ 3.48Å; N91-Y114 WeakPolarHBondContact ND2-CE1 3.15Å; C110-Y114 WeakPolarHBondContact CB-O 3.42Å; S111-Y114 PolarHBondContact O-N 2.69Å; S111-Y114 VanDerWaalsContact O-N 3.15Å; Y114-T138 WeakPolarHBondContact CA-O 3.47Å; Y114-T139 HydrophobicContact CD1-CG2 3.82Å; Y114-T139 HydrophobicContact CE1-CG2 3.58Å
115R68.1Low79.3Confident129 Ų12956 Ų5649%0.48733%0.331SS..EExtended strand (participates in β ladder)trans-108.6145.1173.9-73.3-171.9-178.7157.49.6112.3C110 C137 T138 K193 S195C110-R115 VanDerWaalsContact SG-C 3.53Å; R115-C137 VanDerWaalsContact O-CA 3.29Å; R115-C137 WeakPolarHBondContact O-CA 3.4Å; R115-T138 PolarHBondContact N-O 3.16Å; R115-T138 PolarHBondContact O-N 3.28Å; R115-T138 VanDerWaalsContact O-N 3.09Å; R115-K193 PolarHBondContact NH2-O 3.09Å; R115-S195 PolarHBondContact NH1-OG 3.09Å
116L76.3Confident78.7Confident56 Ų5655 Ų5529%0.29332%0.324SS..EExtended strand (participates in β ladder)trans-80.6125.7-179.8-166.176.6000111.3L89 C110 A120 P135 S136L89-L116 HydrophobicContact CD1-CD1 4.34Å; L89-L116 HydrophobicContact CD2-CD1 3.89Å; C110-L116 WeakPolarHBondContact SG-CA 3.18Å; C110-L116 VanDerWaalsContact SG-CB 3.52Å; C110-L116 WeakPolarHBondContact SG-CD1 3.02Å; C110-L116 PolarHBondContact SG-N 2.85Å; L116-A120 HydrophobicContact CD2-CB 3.78Å; L116-P135 HydrophobicContact CD1-CB 3.99Å; L116-P135 HydrophobicContact CD1-CG 4.37Å; L116-P135 HydrophobicContact CG-CB 4.26Å; L116-S136 CarbonylContact C-O 3.56Å; L116-S136 WeakPolarHBondContact CA-O 3.45Å
117V72.1Confident78.1Confident86 Ų8656.9 Ų56.952%0.52134%0.335SS..EExtended strand (participates in β ladder)trans-114.7109.4175.4-176.70000108P135 S136V117-P135 CarbonylContact O-C 3.6Å; V117-P135 VanDerWaalsContact O-CA 3.25Å; V117-P135 WeakPolarHBondContact O-CA 3.4Å; V117-P135 WeakPolarHBondContact O-CB 3.33Å; V117-S136 PolarHBondContact N-O 3.15Å; V117-S136 PolarHBondContact O-N 2.91Å
118G70.6Confident77.7Confident50 Ų5059 Ų5952%0.51534%0.339SS..SBendtrans122-171.3-179.100000114.2A120G118-A120 PolarHBondContact O-N 3.08Å
119P74.2Confident77.3Confident48 Ų4863.6 Ų63.631%0.31236%0.364SS..  trans-75.2112.6-171.929.3-34.2000112.6R121 W133P119-R121 PolarHBondContact O-N 2.92Å; P119-W133 WeakPolarHBondContact CG-O 3.32Å
120A81.5Confident77.2Confident56 Ų5662.1 Ų62.146%0.46336%0.356SS..SBendtrans-62.5-9.6179.600000115.4K107 Y108 L116 G118K107-A120 WeakPolarHBondContact CA-O 3.41Å; Y108-A120 PolarHBondContact N-O 3.17Å; L116-A120 HydrophobicContact CD2-CB 3.78Å; G118-A120 PolarHBondContact O-N 3.08Å
121R85.7Confident77Confident99 Ų9962.2 Ų62.237%0.37436%0.357SS..EExtended strand (participates in β ladder)trans-148.6137.7178.4-169.6-177.8-179.4-151.6-4.7110.8Y28 S105 I106 K107 P119Y28-R121 PolarHBondContact OH-NH1 3.31Å; S105-R121 VanDerWaalsContact CB-NE 3.27Å; S105-R121 PolarHBondContact OG-NE 2.8Å; S105-R121 PolarHBondContact OG-NH2 3.41Å; I106-R121 VanDerWaalsContact O-CA 3.26Å; I106-R121 WeakPolarHBondContact O-CA 3.36Å; I106-R121 VanDerWaalsContact O-CG 3.32Å; I106-R121 WeakPolarHBondContact O-CG 3.38Å; K107-R121 HydrophobicContact CG-CG 4.41Å; P119-R121 PolarHBondContact O-N 2.92Å
122R84.4Confident76.5Confident25 Ų2562.4 Ų62.49%0.09437%0.367CS..EExtended strand (participates in β ladder)trans-126.1149.6172.7-61.6171.678.5-174.88109.9S105 I106 Y108 W130 S131 G132 W133 E134S105-R122 CarbonylContact C-O 3.39Å; S105-R122 WeakPolarHBondContact CA-O 3.21Å; S105-R122 WeakPolarHBondContact CB-O 3.3Å; I106-R122 PolarHBondContact N-O 2.73Å; I106-R122 PolarHBondContact O-N 3.35Å; Y108-R122 HydrophobicContact CE2-CB 4.41Å; Y108-R122 HydrophobicContact CE2-CG 3.86Å; Y108-R122 WeakPolarHBondContact OH-CD 3.49Å; Y108-R122 PolarHBondContact OH-NH1 2.87Å; R122-W130 HydrophobicContact CB-CB 4.48Å; R122-W130 HydrophobicContact CB-CE3 4.25Å; R122-S131 WeakPolarHBondContact CB-O 3.39Å; R122-S131 VanDerWaalsContact CG-O 3.27Å; R122-S131 WeakPolarHBondContact CG-O 3.27Å; R122-S131 PolarHBondContact NE-O 3.29Å; R122-G132 PolarHBondContact NE-O 2.74Å; R122-G132 PolarHBondContact NH2-O 3.13Å; R122-W133 WeakPolarHBondContact CD-O 3.34Å; R122-W133 PolarHBondContact NE-O 2.95Å; R122-E134 IonicContact NH1-OE2 3.18Å; R122-E134 PolarHBondContact NH1-OE2 2.04Å
123V83.8Confident76.6Confident46 Ų4668.1 Ų68.128%0.27937%0.366SS..EExtended strand (participates in β ladder)trans-123.8139.8-174.2-176.20000110.7S104 W130 S131S104-V123 WeakPolarHBondContact O-CA 3.24Å; V123-W130 VanDerWaalsContact C-CE3 3.44Å; V123-S131 PolarHBondContact N-OG 3.25Å; V123-S131 PolarHBondContact O-N 3.29Å
124C82.7Confident76.9Confident3 Ų369.1 Ų69.12%0.0235%0.354CS..BIsolated β-bridgetrans-76.6119.9177176.40000111C82 I101 V102 G103 S104 W130C82-C124 HydrophobicContact CB-CB 3.92Å; C82-C124 WeakPolarHBondContact CB-SG 3.24Å; C82-C124 WeakPolarHBondContact SG-CA 3.48Å; C82-C124 WeakPolarHBondContact SG-CB 3.39Å; C82-C124 CovalentContact SG-SG 2.02Å; C82-C124 PolarHBondContact SG-SG 2.79Å; I101-C124 WeakPolarHBondContact O-CB 3.28Å; I101-C124 PolarHBondContact O-SG 2.92Å; V102-C124 VanDerWaalsContact CA-SG 3.52Å; G103-C124 PolarHBondContact N-O 3.11Å; S104-C124 PolarHBondContact O-N 2.79Å; C124-W130 HydrophobicContact CB-CE3 4.18Å; C124-W130 HydrophobicContact CB-CH2 3.92Å; C124-W130 HydrophobicContact CB-CZ2 4.31Å; C124-W130 HydrophobicContact CB-CZ3 3.86Å
125Q76.5Confident77.2Confident45 Ų4565.4 Ų65.421%0.2134%0.34CS..  trans-98.2167.1-173.5-63.7179.8-51.100112.7V102 N127 R128 L129V102-Q125 WeakPolarHBondContact CG2-O 3.38Å; Q125-N127 VanDerWaalsContact CB-OD1 3.3Å; Q125-N127 WeakPolarHBondContact CB-OD1 3.24Å; Q125-N127 PolarHBondContact O-N 3.1Å; Q125-R128 WeakPolarHBondContact O-CA 3.23Å; Q125-R128 PolarHBondContact O-N 2.98Å; Q125-L129 PolarHBondContact N-O 2.66Å
126G69.7Low77.7Confident5 Ų562.7 Ų62.75%0.05234%0.34CS..THydrogen-bonded Turntrans-57.3-32.7-176.200000114.7C67 R128C67-G126 PolarHBondContact O-N 2.87Å; G126-R128 PolarHBondContact O-N 2.92Å
127N72.4Confident77.9Confident40 Ų4060.5 Ų60.521%0.21433%0.329CS..THydrogen-bonded Turntrans-69.3-2.8173.664.26.2000114.5D68 Q69 Q125 L129D68-N127 PolarHBondContact OD1-N 2.92Å; Q69-N127 PolarHBondContact OE1-ND2 2.69Å; Q125-N127 VanDerWaalsContact CB-OD1 3.3Å; Q125-N127 WeakPolarHBondContact CB-OD1 3.24Å; Q125-N127 PolarHBondContact O-N 3.1Å; N127-L129 WeakPolarHBondContact OD1-CB 3.32Å; N127-L129 PolarHBondContact OD1-N 2.93Å
128R78.2Confident77.3Confident154 Ų15459.8 Ų59.858%0.58133%0.326SS*.SBendtrans69.922-175.1-46.4179.2-166.6170.35115.8H81 C82 Q125 G126H81-R128 WeakPolarHBondContact O-CD 3.3Å; C82-R128 PolarHBondContact SG-O 2.93Å; C82-R128 VanDerWaalsContact SG-O 3.32Å; Q125-R128 WeakPolarHBondContact O-CA 3.23Å; Q125-R128 PolarHBondContact O-N 2.98Å; G126-R128 PolarHBondContact O-N 2.92Å
129L78.5Confident76.9Confident105 Ų10562 Ų6255%0.5533%0.329SS..  trans-105.4159.6173.7-59.2176.4000111.8Q125 N127Q125-L129 PolarHBondContact N-O 2.66Å; N127-L129 WeakPolarHBondContact OD1-CB 3.32Å; N127-L129 PolarHBondContact OD1-N 2.93Å
130W82.7Confident76Confident23 Ų2361.6 Ų61.69%0.08733%0.328CS..BIsolated β-bridgetrans-89.6129.1173.8-70101.3000110.7C82 S83 I86 P97 A100 S104 I106 R122 V123 C124 G132C82-W130 HydrophobicContact CB-CZ2 4.08Å; S83-W130 PolarHBondContact O-NE1 2.68Å; I86-W130 HydrophobicContact CD1-CD2 4.35Å; I86-W130 HydrophobicContact CD1-CG 4.01Å; P97-W130 HydrophobicContact CG-CH2 4.34Å; A100-W130 HydrophobicContact CB-CZ2 4.34Å; S104-W130 WeakPolarHBondContact O-CZ3 3.02Å; I106-W130 HydrophobicContact CB-CZ3 4.32Å; I106-W130 HydrophobicContact CD1-CD2 4.14Å; I106-W130 HydrophobicContact CD1-CE3 4.24Å; I106-W130 HydrophobicContact CD1-CH2 3.63Å; I106-W130 HydrophobicContact CD1-CZ2 3.47Å; I106-W130 VanDerWaalsContact CD1-CZ2 3.47Å; I106-W130 HydrophobicContact CD1-CZ3 4Å; I106-W130 HydrophobicContact CG1-CE3 4.47Å; I106-W130 HydrophobicContact CG1-CH2 3.65Å; I106-W130 HydrophobicContact CG1-CZ2 4.04Å; I106-W130 HydrophobicContact CG1-CZ3 3.88Å; R122-W130 HydrophobicContact CB-CB 4.48Å; R122-W130 HydrophobicContact CB-CE3 4.25Å; V123-W130 VanDerWaalsContact C-CE3 3.44Å; C124-W130 HydrophobicContact CB-CE3 4.18Å; C124-W130 HydrophobicContact CB-CH2 3.92Å; C124-W130 HydrophobicContact CB-CZ2 4.31Å; C124-W130 HydrophobicContact CB-CZ3 3.86Å; W130-G132 PolarHBondContact O-N 2.64Å
131S78.8Confident75.4Confident31 Ų3164.5 Ų64.522%0.21734%0.335CS..SBendtrans-58.2135.3179.966.30000112.6R122 V123R122-S131 WeakPolarHBondContact CB-O 3.39Å; R122-S131 VanDerWaalsContact CG-O 3.27Å; R122-S131 WeakPolarHBondContact CG-O 3.27Å; R122-S131 PolarHBondContact NE-O 3.29Å; V123-S131 PolarHBondContact N-OG 3.25Å; V123-S131 PolarHBondContact O-N 3.29Å
132G71.4Confident74.7Confident55 Ų5564.8 Ų64.857%0.56734%0.339SS*.SBendtrans72.3-175.5170.600000115.4R122 W130R122-G132 PolarHBondContact NE-O 2.74Å; R122-G132 PolarHBondContact NH2-O 3.13Å; W130-G132 PolarHBondContact O-N 2.64Å
133W77.8Confident74.4Confident224 Ų22463.6 Ų63.685%0.84834%0.335SS*.PPolyproline II helixtrans-81.5173.4-176-43.474.4000111.7P119 R122P119-W133 WeakPolarHBondContact CG-O 3.32Å; R122-W133 WeakPolarHBondContact CD-O 3.34Å; R122-W133 PolarHBondContact NE-O 2.95Å
134E74.7Confident74.2Confident88 Ų8866.1 Ų66.141%0.41135%0.35SS..PPolyproline II helixtrans-95.9133.5178.5-160.7149.3143.600111.1T87 R122T87-E134 PolarHBondContact OG1-OE1 3.07Å; T87-E134 VanDerWaalsContact OG1-OE1 3.1Å; R122-E134 IonicContact NH1-OE2 3.18Å; R122-E134 PolarHBondContact NH1-OE2 2.04Å
135P80.4Confident74.1Confident6 Ų671.8 Ų71.84%0.03938%0.375CS..PPolyproline II helixtrans-83.2170.1179.534.1-35.6000113.3L89 Y108 L116 V117L89-P135 WeakPolarHBondContact CD1-O 3.44Å; Y108-P135 HydrophobicContact CD1-CG 3.49Å; Y108-P135 VanDerWaalsContact CD1-CG 3.49Å; Y108-P135 HydrophobicContact CD2-CG 3.73Å; Y108-P135 HydrophobicContact CE1-CG 3.83Å; Y108-P135 HydrophobicContact CE2-CG 4.07Å; Y108-P135 HydrophobicContact CG-CG 3.41Å; Y108-P135 VanDerWaalsContact CG-CG 3.41Å; L116-P135 HydrophobicContact CD1-CB 3.99Å; L116-P135 HydrophobicContact CD1-CG 4.37Å; L116-P135 HydrophobicContact CG-CB 4.26Å; V117-P135 CarbonylContact O-C 3.6Å; V117-P135 VanDerWaalsContact O-CA 3.25Å; V117-P135 WeakPolarHBondContact O-CA 3.4Å; V117-P135 WeakPolarHBondContact O-CB 3.33Å
136S79.5Confident74.4Confident71 Ų7170.1 Ų70.150%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-140.5164.8179.9-67.20000111.9L116 V117L116-S136 CarbonylContact C-O 3.56Å; L116-S136 WeakPolarHBondContact CA-O 3.45Å; V117-S136 PolarHBondContact N-O 3.15Å; V117-S136 PolarHBondContact O-N 2.91Å
137C79.7Confident75.1Confident10 Ų1072.2 Ų72.27%0.06838%0.381CS..EExtended strand (participates in β ladder)trans-123.4128178.1-62.20000112A90 N91 C110 R115A90-C137 WeakPolarHBondContact O-CB 3.38Å; N91-C137 HydrophobicContact CB-CB 4.03Å; N91-C137 WeakPolarHBondContact O-CB 3.11Å; N91-C137 PolarHBondContact O-SG 2.79Å; C110-C137 VanDerWaalsContact CA-SG 3.54Å; C110-C137 HydrophobicContact CB-CB 3.9Å; C110-C137 WeakPolarHBondContact CB-SG 3.06Å; C110-C137 WeakPolarHBondContact SG-CB 3.33Å; C110-C137 CovalentContact SG-SG 2.04Å; C110-C137 PolarHBondContact SG-SG 3.4Å; R115-C137 VanDerWaalsContact O-CA 3.29Å; R115-C137 WeakPolarHBondContact O-CA 3.4Å
138T60.7Low75.6Confident72 Ų7277.1 Ų77.144%0.44240%0.402SS..EExtended strand (participates in β ladder)trans-132.3156.7-172.863.10000114.4Y114 R115Y114-T138 WeakPolarHBondContact CA-O 3.47Å; R115-T138 PolarHBondContact N-O 3.16Å; R115-T138 PolarHBondContact O-N 3.28Å; R115-T138 VanDerWaalsContact O-N 3.09Å
139T60.8Low75.6Confident95 Ų9572.1 Ų72.158%0.58339%0.387SS*.  trans-88.3176168.649.20000111.8Y114Y114-T139 HydrophobicContact CD1-CG2 3.82Å; Y114-T139 HydrophobicContact CE1-CG2 3.58Å
140S57Low75.7Confident41 Ų4171.7 Ų71.729%0.28739%0.39SS..  trans-117.4-12.5-146.936.70000118.4G194 S195 A196S140-G194 WeakPolarHBondContact CB-O 3.31Å; S140-S195 CarbonylContact O-C 3.58Å; S140-S195 WeakPolarHBondContact O-CA 3.31Å; S140-A196 PolarHBondContact O-N 2.97Å
141D67Low75.9Confident117 Ų11776.7 Ų76.763%0.62641%0.41SS*.SBendtrans-96.3-5.7-145.1-50-16.5000115.8
142K70.9Confident76.2Confident104 Ų10476.3 Ų76.345%0.45241%0.408SS..SBendtrans-141.8149.9174.2-66.3-160.3177.7-149.90111.2V162 D164 A196K142-V162 HydrophobicContact CB-CB 4.24Å; K142-V162 HydrophobicContact CB-CG1 4.47Å; K142-V162 HydrophobicContact CD-CB 4.19Å; K142-V162 HydrophobicContact CD-CG2 4.01Å; K142-D164 WeakPolarHBondContact CE-OD1 3.42Å; K142-D164 IonicContact NZ-OD1 2.66Å; K142-D164 PolarHBondContact NZ-OD1 3.07Å; K142-A196 VanDerWaalsContact C-CB 3.42Å
143C78.1Confident77Confident1 Ų181 Ų811%0.00741%0.409CS..BIsolated β-bridgetrans-69.2136.2172.2-67.30000109.8V162 H163 C189 A196 W198C143-V162 CarbonylContact O-C 3.59Å; C143-V162 VanDerWaalsContact O-CA 3.29Å; C143-V162 WeakPolarHBondContact O-CA 3.46Å; C143-H163 HydrophobicContact CB-CB 4.38Å; C143-H163 PolarHBondContact N-O 2.87Å; C143-H163 VanDerWaalsContact N-O 3.14Å; C143-H163 PolarHBondContact O-N 3.18Å; C143-C189 HydrophobicContact CB-CB 3.87Å; C143-C189 WeakPolarHBondContact CB-SG 3.32Å; C143-C189 WeakPolarHBondContact SG-CA 3.17Å; C143-C189 WeakPolarHBondContact SG-CB 3.17Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 3.16Å; C143-A196 VanDerWaalsContact SG-C 3.51Å; C143-W198 HydrophobicContact CB-CZ2 4.35Å
144T79.9Confident77.4Confident98 Ų9873.2 Ų73.260%0.60138%0.382SS*.  trans-79.2-168.6172.653.70000110.7W198T144-W198 PolarHBondContact O-NE1 3.11Å
145K81.8Confident77.9Confident123 Ų12374.1 Ų74.154%0.53539%0.389SS..SBendtrans-48.6138.5176.3-174.4179172.8-176.40111.9E148K145-E148 VanDerWaalsContact CE-OE1 3.24Å; K145-E148 WeakPolarHBondContact CE-OE1 3.27Å; K145-E148 IonicContact NZ-OE1 2.6Å; K145-E148 PolarHBondContact NZ-OE1 3.36Å
146P83.1Confident77.8Confident9 Ų974.8 Ų74.86%0.05840%0.396CS..PPolyproline II helixtrans-60.5156.7178.6-22.533.7000113.5E148 L169 Y171 W198P146-E148 PolarHBondContact O-N 2.84Å; P146-L169 HydrophobicContact CB-CD1 3.72Å; P146-L169 HydrophobicContact CG-CD1 3.33Å; P146-Y171 WeakPolarHBondContact CB-OH 3.39Å; P146-W198 HydrophobicContact CB-CZ2 4.35Å; P146-W198 HydrophobicContact CG-CH2 4.47Å; P146-W198 HydrophobicContact CG-CZ2 3.83Å
147P83Confident77.5Confident50 Ų5075.7 Ų75.733%0.32540%0.402SS..PPolyproline II helixtrans-60.5128.4174.1-22.233.2000112.2Y171 W198P147-Y171 VanDerWaalsContact O-CE1 3.26Å; P147-Y171 WeakPolarHBondContact O-CE1 3.11Å; P147-Y171 PolarHBondContact O-OH 2.81Å; P147-W198 HydrophobicContact CG-CB 4.24Å
148E82.6Confident76.7Confident142 Ų14284.7 Ų84.766%0.66444%0.443SS*.PPolyproline II helixtrans-84.5126.5169.2-69.6-176.9171.400109.7K145 P146K145-E148 VanDerWaalsContact CE-OE1 3.24Å; K145-E148 WeakPolarHBondContact CE-OE1 3.27Å; K145-E148 IonicContact NZ-OE1 2.6Å; K145-E148 PolarHBondContact NZ-OE1 3.36Å; P146-E148 PolarHBondContact O-N 2.84Å
149L78.9Confident76.8Confident50 Ų5085.1 Ų85.126%0.26246%0.462SS..  trans-114.2134.5-177.8-70.8-179.8000110.9Y151 A152 Y171 P201 I203L149-Y151 PolarHBondContact O-N 2.71Å; L149-A152 HydrophobicContact CB-CB 3.96Å; L149-A152 PolarHBondContact O-N 2.82Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L149-Y171 HydrophobicContact CD1-CD1 3.94Å; L149-Y171 HydrophobicContact CD1-CE1 4.09Å; L149-Y171 HydrophobicContact CG-CD1 4.44Å; L149-Y171 HydrophobicContact CG-CE1 4.22Å; L149-P201 HydrophobicContact CD1-CB 4.35Å; L149-P201 HydrophobicContact CD1-CG 3.84Å; L149-I203 HydrophobicContact CD1-CG2 3.76Å
150P81.2Confident77Confident95 Ų9585.2 Ų85.262%0.61746%0.458SS*.THydrogen-bonded Turntrans-54.4128.6179.9-27.435.4000112.9A152P150-A152 PolarHBondContact O-N 3.27Å; P150-A152 VanDerWaalsContact O-N 3.14Å
151Y86.7Confident77.6Confident129 Ų12987.9 Ų87.951%0.50648%0.475SS..THydrogen-bonded Turntrans60.115.8179.3-40.9-69.8000115.7L149 T174 Y177L149-Y151 PolarHBondContact O-N 2.71Å; Y151-T174 WeakPolarHBondContact O-CB 3.47Å; Y151-T174 WeakPolarHBondContact O-CG2 3.5Å; Y151-T174 PolarHBondContact O-N 3.21Å; Y151-T174 PolarHBondContact O-OG1 2.86Å; Y151-Y177 HydrophobicContact CD1-CD1 4.28Å; Y151-Y177 HydrophobicContact CD1-CD2 4.43Å; Y151-Y177 AromaticContact CD1-CE1 3.6Å; Y151-Y177 HydrophobicContact CD1-CE1 3.6Å; Y151-Y177 AromaticContact CD1-CE2 3.79Å; Y151-Y177 HydrophobicContact CD1-CE2 3.79Å; Y151-Y177 AromaticContact CD1-CZ 3.34Å; Y151-Y177 WeakPolarHBondContact CD1-OH 3.46Å; Y151-Y177 AromaticContact CD2-CD1 3.76Å; Y151-Y177 HydrophobicContact CD2-CD1 3.76Å; Y151-Y177 AromaticContact CD2-CE1 3.43Å; Y151-Y177 HydrophobicContact CD2-CE1 3.43Å; Y151-Y177 VanDerWaalsContact CD2-CE1 3.43Å; Y151-Y177 AromaticContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE2 4.44Å; Y151-Y177 AromaticContact CE1-CZ 3.64Å; Y151-Y177 VanDerWaalsContact CE1-OH 3.27Å; Y151-Y177 WeakPolarHBondContact CE1-OH 3.5Å; Y151-Y177 HydrophobicContact CE2-CD1 4.49Å; Y151-Y177 AromaticContact CE2-CE1 3.77Å; Y151-Y177 HydrophobicContact CE2-CE1 3.77Å; Y151-Y177 AromaticContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD2 4.3Å; Y151-Y177 AromaticContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE2 4.06Å; Y151-Y177 HydrophobicContact CG-CG 4.14Å; Y151-Y177 AromaticContact CG-CZ 3.59Å; Y151-Y177 AromaticContact CZ-CE1 4Å
152A85.7Confident78Confident22 Ų2285.5 Ų85.518%0.18246%0.464CS..EExtended strand (participates in β ladder)trans-112.5160.8172.900000112.2L149 P150 Y171 E172L149-A152 HydrophobicContact CB-CB 3.96Å; L149-A152 PolarHBondContact O-N 2.82Å; L149-A152 VanDerWaalsContact O-N 3.15Å; P150-A152 PolarHBondContact O-N 3.27Å; P150-A152 VanDerWaalsContact O-N 3.14Å; A152-Y171 HydrophobicContact CB-CD1 4.38Å; A152-E172 CarbonylContact C-O 3.41Å; A152-E172 WeakPolarHBondContact CA-O 3.43Å
153R87.1Confident78.5Confident153 Ų15381.2 Ų81.258%0.57745%0.446SS*.EExtended strand (participates in β ladder)trans-131.5150.6174.763.6-179.1-173.7-1804110.1Y171 E172R153-Y171 CarbonylContact O-C 3.54Å; R153-Y171 VanDerWaalsContact O-CA 3.24Å; R153-Y171 WeakPolarHBondContact O-CA 3.37Å; R153-E172 HydrophobicContact CG-CB 4.08Å; R153-E172 IonicContact CZ-OE2 3.19Å; R153-E172 PolarHBondContact N-O 2.9Å; R153-E172 IonicContact NE-OE2 2.92Å; R153-E172 PolarHBondContact NE-OE2 3.25Å; R153-E172 IonicContact NH2-OE2 2.66Å; R153-E172 PolarHBondContact NH2-OE2 2.93Å; R153-E172 PolarHBondContact O-N 2.92Å
154H87Confident78.7Confident62 Ų6285.6 Ų85.629%0.28747%0.469SS..EExtended strand (participates in β ladder)trans-123.5151.1178.361.369.1000113.2A156 R170 Y171H154-A156 VanDerWaalsContact ND1-CB 3.31Å; H154-A156 WeakPolarHBondContact ND1-CB 3.44Å; H154-A156 PolarHBondContact O-N 2.87Å; H154-A156 VanDerWaalsContact O-N 3.1Å; H154-R170 VanDerWaalsContact CA-O 3.31Å; H154-R170 WeakPolarHBondContact CA-O 3.49Å; H154-Y171 HydrophobicContact CB-CD1 3.97Å; H154-Y171 HydrophobicContact CB-CD2 3.66Å; H154-Y171 HydrophobicContact CB-CE1 3.84Å; H154-Y171 HydrophobicContact CB-CE2 3.5Å; H154-Y171 VanDerWaalsContact CB-CE2 3.5Å; H154-Y171 HydrophobicContact CB-CG 3.9Å; H154-Y171 AromaticContact CD2-CE1 3.85Å; H154-Y171 AromaticContact CD2-CZ 3.73Å; H154-Y171 AromaticContact CG-CZ 3.94Å
155N85.7Confident78.7Confident106 Ų10683.4 Ų83.457%0.56746%0.455SS*.  trans-82.933.6-175.674.8-31.9000115.2L169 R170N155-L169 VanDerWaalsContact OD1-CA 3.31Å; N155-L169 WeakPolarHBondContact OD1-CA 3.11Å; N155-R170 PolarHBondContact N-O 3.47Å; N155-R170 VanDerWaalsContact N-O 3.12Å; N155-R170 PolarHBondContact OD1-N 2.04Å; N155-R170 PolarHBondContact OD1-O 3.48Å
156A77.5Confident78.7Confident20 Ų2082.1 Ų82.117%0.16545%0.454CS..PPolyproline II helixtrans-85.7142.1179.700000111H154 E158 L169H154-A156 VanDerWaalsContact ND1-CB 3.31Å; H154-A156 WeakPolarHBondContact ND1-CB 3.44Å; H154-A156 PolarHBondContact O-N 2.87Å; H154-A156 VanDerWaalsContact O-N 3.1Å; A156-E158 PolarHBondContact O-N 3.2Å; A156-L169 HydrophobicContact CB-CD1 3.93Å; A156-L169 HydrophobicContact CB-CD2 3.62Å; A156-L169 HydrophobicContact CB-CG 4.43Å
157S73Confident78.9Confident91 Ų9183.6 Ų83.664%0.63646%0.463SS*.PPolyproline II helixtrans-62.3125172.2-48.80000110.8
158E63.6Low79.2Confident199 Ų19984.8 Ų84.893%0.9347%0.47SS*.THydrogen-bonded Turntrans-62138.8179.9-62.2-173.8146.800111.5A156A156-E158 PolarHBondContact O-N 3.2Å
159G62.7Low79.4Confident81 Ų8178.5 Ų78.584%0.83544%0.44SS*.THydrogen-bonded Turntrans97.2-8.2172.700000117.1P161G159-P161 WeakPolarHBondContact O-CD 3.23Å
160L64.9Low79.9Confident97 Ų9781.5 Ų81.551%0.50845%0.448SS..  trans-78.2120.5173.1-77.8165.9000111.3
161P68.7Low80.3Confident97 Ų9777 Ų7763%0.6342%0.419SS*.SBendtrans-85-17-177.733.4-35.3000113.8G159G159-P161 WeakPolarHBondContact O-CD 3.23Å
162V76.5Confident80.4Confident66 Ų6674.8 Ų74.840%0.441%0.413SS..  trans-139.8150.6178.8-69.30000110.2K142 C143K142-V162 HydrophobicContact CB-CB 4.24Å; K142-V162 HydrophobicContact CB-CG1 4.47Å; K142-V162 HydrophobicContact CD-CB 4.19Å; K142-V162 HydrophobicContact CD-CG2 4.01Å; C143-V162 CarbonylContact O-C 3.59Å; C143-V162 VanDerWaalsContact O-CA 3.29Å; C143-V162 WeakPolarHBondContact O-CA 3.46Å
163H81.2Confident80.5Confident15 Ų1575 Ų757%0.06941%0.413CS..BIsolated β-bridgetrans-125.2140.6178.6-62.9-86.3000110.6C143 T167 W198C143-H163 HydrophobicContact CB-CB 4.38Å; C143-H163 PolarHBondContact N-O 2.87Å; C143-H163 VanDerWaalsContact N-O 3.14Å; C143-H163 PolarHBondContact O-N 3.18Å; H163-T167 HydrophobicContact CB-CG2 4.25Å; H163-W198 HydrophobicContact CB-CH2 4.24Å; H163-W198 HydrophobicContact CB-CZ2 3.74Å; H163-W198 AromaticContact CD2-CZ2 3.69Å; H163-W198 AromaticContact CG-CZ2 3.71Å
164D82.4Confident80.5Confident92 Ų9270.1 Ų70.149%0.49240%0.401SS..  trans-77.6153.1-178.5-66.8-50.8000112K142 N166 T167K142-D164 WeakPolarHBondContact CE-OD1 3.42Å; K142-D164 IonicContact NZ-OD1 2.66Å; K142-D164 PolarHBondContact NZ-OD1 3.07Å; D164-N166 PolarHBondContact O-N 2.87Å; D164-T167 PolarHBondContact N-OG1 2.83Å; D164-T167 VanDerWaalsContact O-CB 3.31Å; D164-T167 WeakPolarHBondContact O-CB 3.5Å; D164-T167 PolarHBondContact O-N 3.01Å; D164-T167 PolarHBondContact O-OG1 3.5Å
165V79.4Confident80.5Confident52 Ų5275.8 Ų75.832%0.31542%0.424SS..THydrogen-bonded Turntrans-57.1133.3177.8-176.70000110.1M191 A196V165-M191 HydrophobicContact CB-CG 4.48Å; V165-M191 HydrophobicContact CG1-CG 3.84Å; V165-M191 HydrophobicContact CG2-CG 3.78Å; V165-M191 HydrophobicContact CG2-SD 3.88Å; V165-A196 HydrophobicContact CG2-CB 4.18Å
166N82.9Confident80.4Confident96 Ų9671 Ų7151%0.51340%0.399SS..THydrogen-bonded Turntrans81.11-168.6-56-77.8000117.5D164 V168 K188 C189D164-N166 PolarHBondContact O-N 2.87Å; N166-V168 PolarHBondContact O-N 3.48Å; N166-K188 WeakPolarHBondContact OD1-CE 3.36Å; N166-K188 PolarHBondContact OD1-NZ 3.18Å; N166-K188 VanDerWaalsContact OD1-NZ 3.07Å; N166-C189 WeakPolarHBondContact CA-O 3.41Å; N166-C189 PolarHBondContact N-O 3.46Å
167T87.1Confident80.9Confident41 Ų4171.5 Ų71.525%0.25240%0.397SS..  trans-55.3129.9167.2-57.30000110.3H163 D164 L169 K188 C189 W198H163-T167 HydrophobicContact CB-CG2 4.25Å; D164-T167 PolarHBondContact N-OG1 2.83Å; D164-T167 VanDerWaalsContact O-CB 3.31Å; D164-T167 WeakPolarHBondContact O-CB 3.5Å; D164-T167 PolarHBondContact O-N 3.01Å; D164-T167 PolarHBondContact O-OG1 3.5Å; T167-L169 HydrophobicContact CG2-CD2 4.44Å; T167-K188 WeakPolarHBondContact O-CA 3.05Å; T167-C189 PolarHBondContact O-N 3.43Å; T167-W198 HydrophobicContact CG2-CH2 3.86Å
168V87.6Confident81.4Confident75 Ų7570.5 Ų70.546%0.45539%0.385SS..EExtended strand (participates in β ladder)trans-117.3133.4176.6178.10000109.6N166 L186 A187 K188N166-V168 PolarHBondContact O-N 3.48Å; V168-L186 HydrophobicContact CG1-CD2 4.35Å; V168-A187 CarbonylContact C-O 3.5Å; V168-A187 WeakPolarHBondContact CA-O 3.38Å; V168-K188 HydrophobicContact CG2-CB 4.19Å; V168-K188 HydrophobicContact CG2-CD 3.8Å; V168-K188 HydrophobicContact CG2-CG 3.74Å
169L88.1Confident82.3Confident9 Ų963.2 Ų63.25%0.04736%0.359CS..EExtended strand (participates in β ladder)trans-121.9144175.5-59.4176000110.5P146 N155 A156 T167 Y171 L186 A187 W198P146-L169 HydrophobicContact CB-CD1 3.72Å; P146-L169 HydrophobicContact CG-CD1 3.33Å; N155-L169 VanDerWaalsContact OD1-CA 3.31Å; N155-L169 WeakPolarHBondContact OD1-CA 3.11Å; A156-L169 HydrophobicContact CB-CD1 3.93Å; A156-L169 HydrophobicContact CB-CD2 3.62Å; A156-L169 HydrophobicContact CB-CG 4.43Å; T167-L169 HydrophobicContact CG2-CD2 4.44Å; L169-Y171 HydrophobicContact CB-CE2 4.15Å; L169-L186 WeakPolarHBondContact O-CA 3.01Å; L169-A187 HydrophobicContact CB-CB 4.41Å; L169-A187 PolarHBondContact N-O 3.04Å; L169-A187 PolarHBondContact O-N 3.35Å; L169-W198 HydrophobicContact CD1-CH2 3.48Å; L169-W198 VanDerWaalsContact CD1-CH2 3.48Å; L169-W198 HydrophobicContact CD1-CZ2 4.02Å; L169-W198 HydrophobicContact CD1-CZ3 3.93Å; L169-W198 HydrophobicContact CG-CH2 3.8Å; L169-W198 HydrophobicContact CG-CZ3 4.04Å
170R88.8Confident82.9Confident113 Ų11361.9 Ų61.943%0.42633%0.332SS..EExtended strand (participates in β ladder)trans-104136.1171175.3-179-70.5-85.24.2109.6H154 N155 Q185 L186H154-R170 VanDerWaalsContact CA-O 3.31Å; H154-R170 WeakPolarHBondContact CA-O 3.49Å; N155-R170 PolarHBondContact N-O 3.47Å; N155-R170 VanDerWaalsContact N-O 3.12Å; N155-R170 PolarHBondContact OD1-N 2.04Å; N155-R170 PolarHBondContact OD1-O 3.48Å; R170-Q185 WeakPolarHBondContact CA-O 3.28Å; R170-L186 HydrophobicContact CB-CD2 4Å; R170-L186 HydrophobicContact CG-CD2 4.45Å
171Y89.3Confident83.2Confident1 Ų165.3 Ų65.30%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-109.7143.9175.5-76-120.5000111P146 P147 L149 A152 R153 H154 L169 Q185 A187 P201P146-Y171 WeakPolarHBondContact CB-OH 3.39Å; P147-Y171 VanDerWaalsContact O-CE1 3.26Å; P147-Y171 WeakPolarHBondContact O-CE1 3.11Å; P147-Y171 PolarHBondContact O-OH 2.81Å; L149-Y171 HydrophobicContact CD1-CD1 3.94Å; L149-Y171 HydrophobicContact CD1-CE1 4.09Å; L149-Y171 HydrophobicContact CG-CD1 4.44Å; L149-Y171 HydrophobicContact CG-CE1 4.22Å; A152-Y171 HydrophobicContact CB-CD1 4.38Å; R153-Y171 CarbonylContact O-C 3.54Å; R153-Y171 VanDerWaalsContact O-CA 3.24Å; R153-Y171 WeakPolarHBondContact O-CA 3.37Å; H154-Y171 HydrophobicContact CB-CD1 3.97Å; H154-Y171 HydrophobicContact CB-CD2 3.66Å; H154-Y171 HydrophobicContact CB-CE1 3.84Å; H154-Y171 HydrophobicContact CB-CE2 3.5Å; H154-Y171 VanDerWaalsContact CB-CE2 3.5Å; H154-Y171 HydrophobicContact CB-CG 3.9Å; H154-Y171 AromaticContact CD2-CE1 3.85Å; H154-Y171 AromaticContact CD2-CZ 3.73Å; H154-Y171 AromaticContact CG-CZ 3.94Å; L169-Y171 HydrophobicContact CB-CE2 4.15Å; Y171-Q185 PolarHBondContact N-O 3.39Å; Y171-A187 HydrophobicContact CD2-CB 4.46Å; Y171-A187 HydrophobicContact CE2-CB 3.83Å; Y171-P201 HydrophobicContact CD1-CG 3.78Å; Y171-P201 HydrophobicContact CD2-CB 4.37Å; Y171-P201 HydrophobicContact CD2-CG 3.31Å; Y171-P201 HydrophobicContact CE1-CG 3.91Å; Y171-P201 HydrophobicContact CE2-CG 3.48Å; Y171-P201 VanDerWaalsContact CE2-CG 3.48Å; Y171-P201 HydrophobicContact CG-CB 4.4Å; Y171-P201 HydrophobicContact CG-CG 3.46Å; Y171-P201 VanDerWaalsContact CG-CG 3.46Å
172E88.3Confident83Confident82 Ų8264 Ų6438%0.38336%0.355SS..EExtended strand (participates in β ladder)trans-134.5147.1179.1-61.6177.5169.100110.3A152 R153A152-E172 CarbonylContact C-O 3.41Å; A152-E172 WeakPolarHBondContact CA-O 3.43Å; R153-E172 HydrophobicContact CG-CB 4.08Å; R153-E172 IonicContact CZ-OE2 3.19Å; R153-E172 PolarHBondContact N-O 2.9Å; R153-E172 IonicContact NE-OE2 2.92Å; R153-E172 PolarHBondContact NE-OE2 3.25Å; R153-E172 IonicContact NH2-OE2 2.66Å; R153-E172 PolarHBondContact NH2-OE2 2.93Å; R153-E172 PolarHBondContact O-N 2.92Å
173C88.5Confident82.5Confident28 Ų2861.7 Ų61.719%0.18935%0.345CS..EExtended strand (participates in β ladder)trans-75.2149.2171.8-61.90000112.5Y177 C205C173-Y177 VanDerWaalsContact CB-O 3.29Å; C173-Y177 WeakPolarHBondContact CB-O 3.31Å; C173-C205 WeakPolarHBondContact CA-SG 3.26Å; C173-C205 HydrophobicContact CB-CB 3.82Å; C173-C205 WeakPolarHBondContact CB-SG 3.42Å; C173-C205 VanDerWaalsContact SG-CA 3.5Å; C173-C205 WeakPolarHBondContact SG-CB 3.39Å; C173-C205 CovalentContact SG-SG 2.04Å; C173-C205 PolarHBondContact SG-SG 3.4Å
174T87.2Confident82.1Confident50 Ų5068.5 Ų68.531%0.30738%0.375SS..PPolyproline II helixtrans-76.1152.8174.954.60000111.9Y151 G176 Y177Y151-T174 WeakPolarHBondContact O-CB 3.47Å; Y151-T174 WeakPolarHBondContact O-CG2 3.5Å; Y151-T174 PolarHBondContact O-N 3.21Å; Y151-T174 PolarHBondContact O-OG1 2.86Å; T174-G176 PolarHBondContact O-N 3.3Å; T174-Y177 PolarHBondContact O-N 3.37Å; T174-Y177 WeakPolarHBondContact OG1-CD2 3.32Å
175K86.2Confident82.2Confident181 Ų18168 Ų6879%0.78737%0.369SS*.THydrogen-bonded Turntrans-56.7124.8-176.5-67.4-175.1177.5-1770111.4
176G83.8Confident82.5Confident4 Ų469.6 Ų69.64%0.04138%0.376CS..THydrogen-bonded Turntrans102.1-3.1-17300000114.2T174 R208 N252T174-G176 PolarHBondContact O-N 3.3Å; G176-R208 PolarHBondContact O-N 2.8Å; G176-N252 WeakPolarHBondContact CA-O 3.32Å
177Y88.9Confident82.7Confident31 Ų3165 Ų6512%0.12235%0.352CS..EExtended strand (participates in β ladder)trans-126.4134.8174.4-58.8-103.6000109.8Y151 C173 T174 I206 A207 Y228Y151-Y177 HydrophobicContact CD1-CD1 4.28Å; Y151-Y177 HydrophobicContact CD1-CD2 4.43Å; Y151-Y177 AromaticContact CD1-CE1 3.6Å; Y151-Y177 HydrophobicContact CD1-CE1 3.6Å; Y151-Y177 AromaticContact CD1-CE2 3.79Å; Y151-Y177 HydrophobicContact CD1-CE2 3.79Å; Y151-Y177 AromaticContact CD1-CZ 3.34Å; Y151-Y177 WeakPolarHBondContact CD1-OH 3.46Å; Y151-Y177 AromaticContact CD2-CD1 3.76Å; Y151-Y177 HydrophobicContact CD2-CD1 3.76Å; Y151-Y177 AromaticContact CD2-CE1 3.43Å; Y151-Y177 HydrophobicContact CD2-CE1 3.43Å; Y151-Y177 VanDerWaalsContact CD2-CE1 3.43Å; Y151-Y177 AromaticContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE1 3.93Å; Y151-Y177 HydrophobicContact CE1-CE2 4.44Å; Y151-Y177 AromaticContact CE1-CZ 3.64Å; Y151-Y177 VanDerWaalsContact CE1-OH 3.27Å; Y151-Y177 WeakPolarHBondContact CE1-OH 3.5Å; Y151-Y177 HydrophobicContact CE2-CD1 4.49Å; Y151-Y177 AromaticContact CE2-CE1 3.77Å; Y151-Y177 HydrophobicContact CE2-CE1 3.77Å; Y151-Y177 AromaticContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD1 3.63Å; Y151-Y177 HydrophobicContact CG-CD2 4.3Å; Y151-Y177 AromaticContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE1 3.33Å; Y151-Y177 HydrophobicContact CG-CE2 4.06Å; Y151-Y177 HydrophobicContact CG-CG 4.14Å; Y151-Y177 AromaticContact CG-CZ 3.59Å; Y151-Y177 AromaticContact CZ-CE1 4Å; C173-Y177 VanDerWaalsContact CB-O 3.29Å; C173-Y177 WeakPolarHBondContact CB-O 3.31Å; T174-Y177 PolarHBondContact O-N 3.37Å; T174-Y177 WeakPolarHBondContact OG1-CD2 3.32Å; Y177-I206 CarbonylContact C-O 3.45Å; Y177-I206 WeakPolarHBondContact CA-O 3.21Å; Y177-A207 VanDerWaalsContact CD1-CA 3.49Å; Y177-A207 HydrophobicContact CD1-CB 3.83Å; Y177-A207 HydrophobicContact CE1-CB 3.58Å; Y177-Y228 HydrophobicContact CD2-CD1 4.49Å; Y177-Y228 AromaticContact CE2-CD1 3.88Å; Y177-Y228 HydrophobicContact CE2-CD1 3.88Å; Y177-Y228 AromaticContact CE2-CE1 3.97Å; Y177-Y228 HydrophobicContact CE2-CE1 3.97Å
178D84Confident82.7Confident70 Ų7066.6 Ų66.637%0.37436%0.355SS..EExtended strand (participates in β ladder)trans-104.5160.4172.9-64.8-50000110.6C205 I206 R208D178-C205 CarbonylContact O-C 3.59Å; D178-C205 WeakPolarHBondContact O-CA 3.03Å; D178-I206 PolarHBondContact N-O 2.86Å; D178-I206 PolarHBondContact O-N 3Å; D178-R208 VanDerWaalsContact CG-NE 3.3Å; D178-R208 IonicContact OD1-CZ 3.69Å; D178-R208 IonicContact OD1-NE 2.74Å; D178-R208 PolarHBondContact OD1-NE 3.41Å; D178-R208 VanDerWaalsContact OD1-NE 3.11Å; D178-R208 IonicContact OD1-NH2 3.68Å; D178-R208 PolarHBondContact OD1-NH2 2.88Å; D178-R208 WeakPolarHBondContact OD2-CD 3.28Å; D178-R208 WeakPolarHBondContact OD2-CG 3.08Å; D178-R208 IonicContact OD2-CZ 2.72Å; D178-R208 IonicContact OD2-NE 3.3Å; D178-R208 PolarHBondContact OD2-NE 2.04Å; D178-R208 IonicContact OD2-NH2 3.87Å; D178-R208 PolarHBondContact OD2-NH2 2.88Å
179A81Confident82.6Confident47 Ų4763 Ų6339%0.38833%0.333SS..EExtended strand (participates in β ladder)trans-77.8136.117600000111I203A179-I203 HydrophobicContact CB-CD1 4Å; A179-I203 HydrophobicContact CB-CG1 4.02Å
180D77Confident82.4Confident52 Ų5265.2 Ų65.228%0.27835%0.345SS..  trans-64.5136.2171.1-170.932.9000111.3G182 G183 K204 I206D180-G182 PolarHBondContact O-N 3.13Å; D180-G183 PolarHBondContact O-N 3.09Å; D180-K204 HydrophobicContact CB-CB 3.81Å; D180-K204 HydrophobicContact CB-CG 4.5Å; D180-K204 WeakPolarHBondContact CB-O 3.4Å; D180-K204 PolarHBondContact N-O 2.91Å; D180-K204 WeakPolarHBondContact OD2-CD 3.01Å; D180-K204 IonicContact OD2-NZ 3.13Å; D180-K204 PolarHBondContact OD2-NZ 2.84Å; D180-I206 HydrophobicContact CB-CD1 3.76Å; D180-I206 HydrophobicContact CB-CG1 4.26Å; D180-I206 WeakPolarHBondContact OD1-CD1 3.17Å
181D69.4Low82Confident170 Ų17064.4 Ų64.491%0.90935%0.347SS*.THydrogen-bonded Turntrans-66.8105.3-173.1-87.1-40.7000111.3
182G65.3Low81.2Confident69 Ų6967.7 Ų67.771%0.71136%0.362SS*.THydrogen-bonded Turntrans124-10.4178.400000115.1D180D180-G182 PolarHBondContact O-N 3.13Å
183G65.4Low80.4Confident18 Ų1871.7 Ų71.719%0.18638%0.378CS..  trans-74.1123.6-176.700000114.8D180 Q185 D202D180-G183 PolarHBondContact O-N 3.09Å; G183-Q185 PolarHBondContact O-N 2.83Å; G183-D202 WeakPolarHBondContact CA-O 3.45Å
184F74.3Confident79.3Confident158 Ų15872.5 Ų72.569%0.69339%0.391SS*.  trans-70.1121176.1-73.5-85.9000111.6L186 P201 D202 I203F184-L186 VanDerWaalsContact C-N 3.28Å; F184-L186 PolarHBondContact O-N 2.8Å; F184-P201 WeakPolarHBondContact O-CA 3.47Å; F184-P201 WeakPolarHBondContact O-CB 3.42Å; F184-D202 PolarHBondContact O-N 2.8Å; F184-I203 PolarHBondContact O-N 2.86Å
185Q83.9Confident78.3Confident80 Ų8070.7 Ų70.737%0.37438%0.381SS..  trans-77.3-2.1-178-59.9-174.4-10.300115.2R170 Y171 G183 I203R170-Q185 WeakPolarHBondContact CA-O 3.28Å; Y171-Q185 PolarHBondContact N-O 3.39Å; G183-Q185 PolarHBondContact O-N 2.83Å; Q185-I203 HydrophobicContact CG-CD1 4.25Å
186L86Confident77.9Confident87 Ų8762.7 Ų62.746%0.45535%0.348SS..EExtended strand (participates in β ladder)trans-112.1136-172.3-62.3177.6000111.5V168 L169 R170 F184 P201V168-L186 HydrophobicContact CG1-CD2 4.35Å; L169-L186 WeakPolarHBondContact O-CA 3.01Å; R170-L186 HydrophobicContact CB-CD2 4Å; R170-L186 HydrophobicContact CG-CD2 4.45Å; F184-L186 VanDerWaalsContact C-N 3.28Å; F184-L186 PolarHBondContact O-N 2.8Å; L186-P201 WeakPolarHBondContact O-CA 3.43Å
187A86.4Confident77.8Confident0 Ų066.2 Ų66.20%036%0.363CS..EExtended strand (participates in β ladder)trans-109136.7165.200000109.3V168 L169 Y171 W198 F199 G200 P201V168-A187 CarbonylContact C-O 3.5Å; V168-A187 WeakPolarHBondContact CA-O 3.38Å; L169-A187 HydrophobicContact CB-CB 4.41Å; L169-A187 PolarHBondContact N-O 3.04Å; L169-A187 PolarHBondContact O-N 3.35Å; Y171-A187 HydrophobicContact CD2-CB 4.46Å; Y171-A187 HydrophobicContact CE2-CB 3.83Å; A187-W198 HydrophobicContact CB-CE3 3.88Å; A187-W198 HydrophobicContact CB-CZ3 4.2Å; A187-F199 CarbonylContact C-O 3.53Å; A187-F199 WeakPolarHBondContact CA-O 3.34Å; A187-G200 VanDerWaalsContact CB-O 3.29Å; A187-G200 WeakPolarHBondContact CB-O 3.23Å; A187-P201 HydrophobicContact CB-CG 4.04Å
188K86.6Confident77.6Confident73 Ų7366.6 Ų66.632%0.31737%0.365SS..EExtended strand (participates in β ladder)trans-130.6128174.3-172.5172.6-179.2-170.20111.5N166 T167 V168 L190 F199N166-K188 WeakPolarHBondContact OD1-CE 3.36Å; N166-K188 PolarHBondContact OD1-NZ 3.18Å; N166-K188 VanDerWaalsContact OD1-NZ 3.07Å; T167-K188 WeakPolarHBondContact O-CA 3.05Å; V168-K188 HydrophobicContact CG2-CB 4.19Å; V168-K188 HydrophobicContact CG2-CD 3.8Å; V168-K188 HydrophobicContact CG2-CG 3.74Å; K188-L190 HydrophobicContact CB-CG 4.46Å; K188-L190 HydrophobicContact CD-CD2 3.78Å; K188-L190 HydrophobicContact CD-CG 4.23Å; K188-L190 HydrophobicContact CG-CD2 3.97Å; K188-L190 HydrophobicContact CG-CG 4.01Å; K188-L190 PolarHBondContact O-N 3.39Å; K188-F199 PolarHBondContact N-O 2.85Å; K188-F199 PolarHBondContact O-N 2.78Å
189C86.6Confident77.7Confident0 Ų067.3 Ų67.30%037%0.365CS..EExtended strand (participates in β ladder)trans-70.8120.4169.7177.70000109.6C143 N166 T167 E197 W198C143-C189 HydrophobicContact CB-CB 3.87Å; C143-C189 WeakPolarHBondContact CB-SG 3.32Å; C143-C189 WeakPolarHBondContact SG-CA 3.17Å; C143-C189 WeakPolarHBondContact SG-CB 3.17Å; C143-C189 CovalentContact SG-SG 2.03Å; C143-C189 PolarHBondContact SG-SG 3.16Å; N166-C189 WeakPolarHBondContact CA-O 3.41Å; N166-C189 PolarHBondContact N-O 3.46Å; T167-C189 PolarHBondContact O-N 3.43Å; C189-E197 WeakPolarHBondContact CA-O 3.36Å; C189-W198 HydrophobicContact CB-CD2 4.41Å; C189-W198 HydrophobicContact CB-CE3 4.15Å; C189-W198 HydrophobicContact CB-CH2 4.16Å; C189-W198 HydrophobicContact CB-CZ2 4.43Å; C189-W198 HydrophobicContact CB-CZ3 4.02Å
190L83.9Confident77.5Confident56 Ų5666.9 Ų66.929%0.29336%0.364SS..EExtended strand (participates in β ladder)trans-136.4149.6-178.9-65.6173.6000111.2K188 H192 A196 E197 F199K188-L190 HydrophobicContact CB-CG 4.46Å; K188-L190 HydrophobicContact CD-CD2 3.78Å; K188-L190 HydrophobicContact CD-CG 4.23Å; K188-L190 HydrophobicContact CG-CD2 3.97Å; K188-L190 HydrophobicContact CG-CG 4.01Å; K188-L190 PolarHBondContact O-N 3.39Å; L190-H192 PolarHBondContact O-N 2.87Å; L190-A196 WeakPolarHBondContact O-CA 3.14Å; L190-E197 PolarHBondContact N-O 2.83Å; L190-E197 PolarHBondContact O-N 3.06Å; L190-F199 HydrophobicContact CB-CD2 3.74Å; L190-F199 HydrophobicContact CB-CE2 4.06Å; L190-F199 HydrophobicContact CD1-CB 4.19Å; L190-F199 HydrophobicContact CD1-CD2 4.01Å; L190-F199 HydrophobicContact CD1-CG 4.12Å; L190-F199 HydrophobicContact CG-CD2 4.24Å
191M79.4Confident77.5Confident96 Ų9665.2 Ų65.247%0.47336%0.357SS..EExtended strand (participates in β ladder)trans-77.9119168.4-71.1-63.5-74.200110.3V165 S195 A196V165-M191 HydrophobicContact CB-CG 4.48Å; V165-M191 HydrophobicContact CG1-CG 3.84Å; V165-M191 HydrophobicContact CG2-CG 3.78Å; V165-M191 HydrophobicContact CG2-SD 3.88Å; M191-S195 CarbonylContact C-O 3.54Å; M191-S195 WeakPolarHBondContact CA-O 3.03Å; M191-A196 HydrophobicContact SD-CB 3.68Å
192H73.8Confident78Confident70 Ų7061.8 Ų61.832%0.32434%0.338SS..EExtended strand (participates in β ladder)trans-124.5120.9173.7-17280.1000110.2L190 G194 S195 F199L190-H192 PolarHBondContact O-N 2.87Å; H192-G194 PolarHBondContact O-N 3.12Å; H192-S195 PolarHBondContact N-O 2.64Å; H192-S195 PolarHBondContact O-N 2.85Å; H192-S195 PolarHBondContact O-OG 2.91Å; H192-S195 VanDerWaalsContact O-OG 3.09Å; H192-F199 HydrophobicContact CB-CE2 3.83Å; H192-F199 HydrophobicContact CB-CZ 3.56Å; H192-F199 AromaticContact CG-CZ 3.74Å; H192-F199 AromaticContact ND1-CZ 3.97Å
193K70.4Confident78.9Confident166 Ų16658.9 Ų58.972%0.72231%0.306SS*.THydrogen-bonded Turntrans48.238.8177.8-61.6172.4-177.11390113.8R115R115-K193 PolarHBondContact NH2-O 3.09Å
194G66.3Low79.6Confident45 Ų4563.3 Ų63.346%0.46432%0.32SS..THydrogen-bonded Turntrans87.30.2179.100000116.3S140 H192S140-G194 WeakPolarHBondContact CB-O 3.31Å; H192-G194 PolarHBondContact O-N 3.12Å
195S65.9Low80.2Confident12 Ų1256.5 Ų56.58%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-118.4141.517534.40000112.5R115 S140 M191 H192 E197R115-S195 PolarHBondContact NH1-OG 3.09Å; S140-S195 CarbonylContact O-C 3.58Å; S140-S195 WeakPolarHBondContact O-CA 3.31Å; M191-S195 CarbonylContact C-O 3.54Å; M191-S195 WeakPolarHBondContact CA-O 3.03Å; H192-S195 PolarHBondContact N-O 2.64Å; H192-S195 PolarHBondContact O-N 2.85Å; H192-S195 PolarHBondContact O-OG 2.91Å; H192-S195 VanDerWaalsContact O-OG 3.09Å; S195-E197 WeakPolarHBondContact CB-OE1 3.39Å; S195-E197 PolarHBondContact OG-OE1 2.72Å
196A76.7Confident80.2Confident12 Ų1257 Ų5710%0.09930%0.297CS..EExtended strand (participates in β ladder)trans-82.5111.8173.600000109.9S140 K142 C143 V165 L190 M191S140-A196 PolarHBondContact O-N 2.97Å; K142-A196 VanDerWaalsContact C-CB 3.42Å; C143-A196 VanDerWaalsContact SG-C 3.51Å; V165-A196 HydrophobicContact CG2-CB 4.18Å; L190-A196 WeakPolarHBondContact O-CA 3.14Å; M191-A196 HydrophobicContact SD-CB 3.68Å
197E82.6Confident80.2Confident78 Ų7854 Ų5436%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-129150.9-172.3-72.2166.8-154.400111.2C189 L190 S195 F199C189-E197 WeakPolarHBondContact CA-O 3.36Å; L190-E197 PolarHBondContact N-O 2.83Å; L190-E197 PolarHBondContact O-N 3.06Å; S195-E197 WeakPolarHBondContact CB-OE1 3.39Å; S195-E197 PolarHBondContact OG-OE1 2.72Å; E197-F199 HydrophobicContact CB-CE2 3.86Å; E197-F199 WeakPolarHBondContact O-CD2 3.41Å
198W85.4Confident80.2Confident40 Ų4058.1 Ų58.115%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-82.6117.7174.6-76.9109.5000110.7C143 T144 P146 P147 H163 T167 L169 A187 C189C143-W198 HydrophobicContact CB-CZ2 4.35Å; T144-W198 PolarHBondContact O-NE1 3.11Å; P146-W198 HydrophobicContact CB-CZ2 4.35Å; P146-W198 HydrophobicContact CG-CH2 4.47Å; P146-W198 HydrophobicContact CG-CZ2 3.83Å; P147-W198 HydrophobicContact CG-CB 4.24Å; H163-W198 HydrophobicContact CB-CH2 4.24Å; H163-W198 HydrophobicContact CB-CZ2 3.74Å; H163-W198 AromaticContact CD2-CZ2 3.69Å; H163-W198 AromaticContact CG-CZ2 3.71Å; T167-W198 HydrophobicContact CG2-CH2 3.86Å; L169-W198 HydrophobicContact CD1-CH2 3.48Å; L169-W198 VanDerWaalsContact CD1-CH2 3.48Å; L169-W198 HydrophobicContact CD1-CZ2 4.02Å; L169-W198 HydrophobicContact CD1-CZ3 3.93Å; L169-W198 HydrophobicContact CG-CH2 3.8Å; L169-W198 HydrophobicContact CG-CZ3 4.04Å; A187-W198 HydrophobicContact CB-CE3 3.88Å; A187-W198 HydrophobicContact CB-CZ3 4.2Å; C189-W198 HydrophobicContact CB-CD2 4.41Å; C189-W198 HydrophobicContact CB-CE3 4.15Å; C189-W198 HydrophobicContact CB-CH2 4.16Å; C189-W198 HydrophobicContact CB-CZ2 4.43Å; C189-W198 HydrophobicContact CB-CZ3 4.02Å
199F84.8Confident80.3Confident85 Ų8558.3 Ų58.337%0.37331%0.31SS..EExtended strand (participates in β ladder)trans-100.2117.4173.5-74-95.9000110A187 K188 L190 H192 E197A187-F199 CarbonylContact C-O 3.53Å; A187-F199 WeakPolarHBondContact CA-O 3.34Å; K188-F199 PolarHBondContact N-O 2.85Å; K188-F199 PolarHBondContact O-N 2.78Å; L190-F199 HydrophobicContact CB-CD2 3.74Å; L190-F199 HydrophobicContact CB-CE2 4.06Å; L190-F199 HydrophobicContact CD1-CB 4.19Å; L190-F199 HydrophobicContact CD1-CD2 4.01Å; L190-F199 HydrophobicContact CD1-CG 4.12Å; L190-F199 HydrophobicContact CG-CD2 4.24Å; H192-F199 HydrophobicContact CB-CE2 3.83Å; H192-F199 HydrophobicContact CB-CZ 3.56Å; H192-F199 AromaticContact CG-CZ 3.74Å; H192-F199 AromaticContact ND1-CZ 3.97Å; E197-F199 HydrophobicContact CB-CE2 3.86Å; E197-F199 WeakPolarHBondContact O-CD2 3.41Å
200G77.2Confident80.4Confident37 Ų3759 Ų5938%0.38132%0.315SS..  trans78.9172.7-169.500000113.1A187A187-G200 VanDerWaalsContact CB-O 3.29Å; A187-G200 WeakPolarHBondContact CB-O 3.23Å
201P77.8Confident80.5Confident18 Ų1858 Ų5812%0.11732%0.317CS..  cis-89.2169.45.110.510000112.1L149 Y171 F184 L186 A187 I203L149-P201 HydrophobicContact CD1-CB 4.35Å; L149-P201 HydrophobicContact CD1-CG 3.84Å; Y171-P201 HydrophobicContact CD1-CG 3.78Å; Y171-P201 HydrophobicContact CD2-CB 4.37Å; Y171-P201 HydrophobicContact CD2-CG 3.31Å; Y171-P201 HydrophobicContact CE1-CG 3.91Å; Y171-P201 HydrophobicContact CE2-CG 3.48Å; Y171-P201 VanDerWaalsContact CE2-CG 3.48Å; Y171-P201 HydrophobicContact CG-CB 4.4Å; Y171-P201 HydrophobicContact CG-CG 3.46Å; Y171-P201 VanDerWaalsContact CG-CG 3.46Å; F184-P201 WeakPolarHBondContact O-CA 3.47Å; F184-P201 WeakPolarHBondContact O-CB 3.42Å; L186-P201 WeakPolarHBondContact O-CA 3.43Å; A187-P201 HydrophobicContact CB-CG 4.04Å; P201-I203 HydrophobicContact CB-CG2 4.13Å
202D78.4Confident80.8Confident97 Ų9758.5 Ų58.552%0.51932%0.319SS..  trans-11927.7172.7-164.519.4000111.3G183 F184G183-D202 WeakPolarHBondContact CA-O 3.45Å; F184-D202 PolarHBondContact O-N 2.8Å
203I85.1Confident81.2Confident9 Ų955.3 Ų55.35%0.04630%0.304CS..  trans-75.9126.5175.4-169.1-178.1000110.4L149 A179 F184 Q185 P201L149-I203 HydrophobicContact CD1-CG2 3.76Å; A179-I203 HydrophobicContact CB-CD1 4Å; A179-I203 HydrophobicContact CB-CG1 4.02Å; F184-I203 PolarHBondContact O-N 2.86Å; Q185-I203 HydrophobicContact CG-CD1 4.25Å; P201-I203 HydrophobicContact CB-CG2 4.13Å
204K81Confident81.8Confident110 Ų11048.2 Ų48.248%0.47828%0.278SS..  trans-107.7129.9168-48.2-178.9-148.81080108.2D180D180-K204 HydrophobicContact CB-CB 3.81Å; D180-K204 HydrophobicContact CB-CG 4.5Å; D180-K204 WeakPolarHBondContact CB-O 3.4Å; D180-K204 PolarHBondContact N-O 2.91Å; D180-K204 WeakPolarHBondContact OD2-CD 3.01Å; D180-K204 IonicContact OD2-NZ 3.13Å; D180-K204 PolarHBondContact OD2-NZ 2.84Å
205C86.8Confident82.6Confident16 Ų1653.9 Ų53.911%0.10829%0.292CS..EExtended strand (participates in β ladder)trans-100.6107.7179.6-66.80000110.1C173 D178C173-C205 WeakPolarHBondContact CA-SG 3.26Å; C173-C205 HydrophobicContact CB-CB 3.82Å; C173-C205 WeakPolarHBondContact CB-SG 3.42Å; C173-C205 VanDerWaalsContact SG-CA 3.5Å; C173-C205 WeakPolarHBondContact SG-CB 3.39Å; C173-C205 CovalentContact SG-SG 2.04Å; C173-C205 PolarHBondContact SG-SG 3.4Å; D178-C205 CarbonylContact O-C 3.59Å; D178-C205 WeakPolarHBondContact O-CA 3.03Å
206I84Confident83.4Confident91 Ų9154.3 Ų54.347%0.46729%0.294SS..EExtended strand (participates in β ladder)trans-97.9130.4-175.2-58.5178.4000109.2Y177 D178 D180 R208Y177-I206 CarbonylContact C-O 3.45Å; Y177-I206 WeakPolarHBondContact CA-O 3.21Å; D178-I206 PolarHBondContact N-O 2.86Å; D178-I206 PolarHBondContact O-N 3Å; D180-I206 HydrophobicContact CB-CD1 3.76Å; D180-I206 HydrophobicContact CB-CG1 4.26Å; D180-I206 WeakPolarHBondContact OD1-CD1 3.17Å; I206-R208 PolarHBondContact O-N 3.05Å
207A84.8Confident83.7Confident22 Ų2260.6 Ų60.618%0.18233%0.325CS..EExtended strand (participates in β ladder)trans-63.9132.7-18000000111.8Y177 S209 T227 Y228Y177-A207 VanDerWaalsContact CD1-CA 3.49Å; Y177-A207 HydrophobicContact CD1-CB 3.83Å; Y177-A207 HydrophobicContact CE1-CB 3.58Å; A207-S209 PolarHBondContact O-N 3.46Å; A207-T227 HydrophobicContact CB-CG2 4.37Å; A207-Y228 WeakPolarHBondContact CB-O 3.33Å
208R87.1Confident83.9Confident88 Ų8859.4 Ų59.433%0.33232%0.321SS..PPolyproline II helixtrans-56.8130.5176.6-80-172.4177-159.30.8111.1G176 D178 I206 T227 Y228 D253G176-R208 PolarHBondContact O-N 2.8Å; D178-R208 VanDerWaalsContact CG-NE 3.3Å; D178-R208 IonicContact OD1-CZ 3.69Å; D178-R208 IonicContact OD1-NE 2.74Å; D178-R208 PolarHBondContact OD1-NE 3.41Å; D178-R208 VanDerWaalsContact OD1-NE 3.11Å; D178-R208 IonicContact OD1-NH2 3.68Å; D178-R208 PolarHBondContact OD1-NH2 2.88Å; D178-R208 WeakPolarHBondContact OD2-CD 3.28Å; D178-R208 WeakPolarHBondContact OD2-CG 3.08Å; D178-R208 IonicContact OD2-CZ 2.72Å; D178-R208 IonicContact OD2-NE 3.3Å; D178-R208 PolarHBondContact OD2-NE 2.04Å; D178-R208 IonicContact OD2-NH2 3.87Å; D178-R208 PolarHBondContact OD2-NH2 2.88Å; I206-R208 PolarHBondContact O-N 3.05Å; R208-T227 CarbonylContact O-C 3.49Å; R208-T227 VanDerWaalsContact O-CA 3.23Å; R208-T227 WeakPolarHBondContact O-CA 3.39Å; R208-Y228 PolarHBondContact O-N 3.26Å; R208-D253 PolarHBondContact NH1-O 3.36Å
209S88.8Confident84Confident76 Ų7658.5 Ų58.553%0.53132%0.322SS..BIsolated β-bridgetrans-87.7126.8173.2-177.70000110A207 G211A207-S209 PolarHBondContact O-N 3.46Å; S209-G211 PolarHBondContact O-N 3.18Å; S209-G211 PolarHBondContact OG-N 3.27Å
210C87.9Confident84.1Confident16 Ų1657.9 Ų57.911%0.10832%0.322CS..  trans-81.85.4172.1-66.30000113.2F226 C250 G254 R255 W256C210-F226 PolarHBondContact N-O 2.87Å; C210-C250 HydrophobicContact CB-CB 3.82Å; C210-C250 WeakPolarHBondContact CB-SG 3.4Å; C210-C250 WeakPolarHBondContact SG-CA 3.08Å; C210-C250 WeakPolarHBondContact SG-CB 3.23Å; C210-C250 CovalentContact SG-SG 2.03Å; C210-C250 PolarHBondContact SG-SG 3.12Å; C210-G254 WeakPolarHBondContact CA-O 3.43Å; C210-R255 PolarHBondContact SG-N 2.97Å; C210-R255 VanDerWaalsContact SG-N 3.43Å; C210-R255 PolarHBondContact SG-O 3.04Å; C210-R255 VanDerWaalsContact SG-O 3.34Å; C210-W256 HydrophobicContact CB-CD2 3.95Å; C210-W256 HydrophobicContact CB-CG 4.02Å; C210-W256 HydrophobicContact CB-CZ2 4.11Å; C210-W256 PolarHBondContact O-NE1 2.89Å
211G85.5Confident84.7Confident33 Ų3359.4 Ų59.434%0.3432%0.316SS..  trans69.1178.1-174.200000113.1S209 P213 W256S209-G211 PolarHBondContact O-N 3.18Å; S209-G211 PolarHBondContact OG-N 3.27Å; G211-P213 WeakPolarHBondContact O-CD 3.49Å; G211-W256 PolarHBondContact O-NE1 2.85Å
212H85.7Confident85Confident108 Ų10862.1 Ų62.150%0.533%0.33SS..  trans-70.6122.1180-175.3-113000110.4G214 R221 F226H212-G214 PolarHBondContact ND1-N 2.78Å; H212-G214 PolarHBondContact O-N 2.91Å; H212-R221 PolarHBondContact NE2-NH1 2.88Å; H212-F226 AromaticContact CD2-CE2 3.75Å; H212-F226 AromaticContact CD2-CZ 3.78Å
213P83.7Confident85.1Confident3 Ų359.1 Ų59.12%0.01932%0.322CS..  trans-67-10.9-177.126.8-34.8000113.2G211 F226 V232 L248 W256 K260G211-P213 WeakPolarHBondContact O-CD 3.49Å; P213-F226 HydrophobicContact CG-CD1 4.23Å; P213-F226 HydrophobicContact CG-CE1 4.13Å; P213-V232 HydrophobicContact CB-CG2 4.1Å; P213-V232 HydrophobicContact CG-CG1 4.28Å; P213-V232 HydrophobicContact CG-CG2 3.97Å; P213-L248 HydrophobicContact CB-CD1 4.23Å; P213-W256 HydrophobicContact CB-CD2 4.12Å; P213-W256 HydrophobicContact CB-CG 4.39Å; P213-W256 HydrophobicContact CB-CZ2 4.14Å; P213-W256 HydrophobicContact CG-CZ2 4.03Å; P213-K260 VanDerWaalsContact O-CE 3.26Å; P213-K260 WeakPolarHBondContact O-CE 3.41Å; P213-K260 PolarHBondContact O-NZ 3.2Å
214G82.8Confident84.9Confident16 Ų1667 Ų6717%0.16536%0.359CS..  trans86.4-172.8-17800000113H212 Y234H212-G214 PolarHBondContact ND1-N 2.78Å; H212-G214 PolarHBondContact O-N 2.91Å; G214-Y234 PolarHBondContact O-OH 2.79Å
215E82.4Confident85Confident165 Ų16567.7 Ų67.777%0.77136%0.363SS*.  trans-114.5157.6-178.2-58.1-169.6162.700110.5
216V83.9Confident85.2Confident20 Ų2069.1 Ų69.112%0.12137%0.368CS..  trans-126.5124.8177.7166.60000106.9N218 A219 Y234 K260 P261V216-N218 PolarHBondContact O-N 3.11Å; V216-A219 HydrophobicContact CB-CB 3.79Å; V216-A219 HydrophobicContact CG1-CB 3.68Å; V216-A219 WeakPolarHBondContact O-CB 3.31Å; V216-A219 PolarHBondContact O-N 3.33Å; V216-Y234 HydrophobicContact CB-CD1 3.94Å; V216-Y234 HydrophobicContact CB-CE1 4.11Å; V216-Y234 HydrophobicContact CG2-CD1 3.88Å; V216-Y234 HydrophobicContact CG2-CE1 3.77Å; V216-Y234 HydrophobicContact CG2-CG 4.35Å; V216-K260 HydrophobicContact CG2-CB 4.26Å; V216-P261 WeakPolarHBondContact CG1-O 3.25Å; V216-P261 WeakPolarHBondContact CG2-O 3.09Å
217L82.7Confident85.5Confident145 Ų14567.1 Ų67.176%0.75936%0.36SS*.THydrogen-bonded Turntrans-57.8134.3-178.3-166.171.9000110.3A219 C263L217-A219 PolarHBondContact O-N 3.37Å; L217-C263 WeakPolarHBondContact O-CB 3.45Å
218N86Confident85.5Confident52 Ų5269.2 Ų69.228%0.27836%0.363SS..THydrogen-bonded Turntrans61.221.7-175.5-47.9-53.1000115.1V216 C236 I237 F240 C263V216-N218 PolarHBondContact O-N 3.11Å; N218-C236 WeakPolarHBondContact O-CA 3.46Å; N218-I237 WeakPolarHBondContact O-CG1 3.38Å; N218-I237 PolarHBondContact O-N 3.37Å; N218-F240 HydrophobicContact CB-CB 4.31Å; N218-F240 HydrophobicContact CB-CD1 3.71Å; N218-F240 HydrophobicContact CB-CD2 3.8Å; N218-F240 HydrophobicContact CB-CE1 3.95Å; N218-F240 HydrophobicContact CB-CE2 4Å; N218-F240 HydrophobicContact CB-CG 3.66Å; N218-F240 HydrophobicContact CB-CZ 4.08Å; N218-F240 VanDerWaalsContact CG-CE1 3.5Å; N218-F240 VanDerWaalsContact CG-CZ 3.5Å; N218-F240 WeakPolarHBondContact ND2-CE1 3.03Å; N218-C263 HydrophobicContact CB-CB 4.02Å
219A87.2Confident85.5Confident21 Ų2168.7 Ų68.717%0.17437%0.371CS..EExtended strand (participates in β ladder)trans-118.8158.1171.700000113.2V216 L217 Y234 R235V216-A219 HydrophobicContact CB-CB 3.79Å; V216-A219 HydrophobicContact CG1-CB 3.68Å; V216-A219 WeakPolarHBondContact O-CB 3.31Å; V216-A219 PolarHBondContact O-N 3.33Å; L217-A219 PolarHBondContact O-N 3.37Å; A219-Y234 HydrophobicContact CB-CD1 4.22Å; A219-R235 CarbonylContact C-O 3.49Å; A219-R235 WeakPolarHBondContact CA-O 3.49Å
220I86.9Confident85.5Confident72 Ų7267.2 Ų67.237%0.36936%0.358SS..EExtended strand (participates in β ladder)trans-109.6125.3167.1-57.4168.8000106.9L222 Y234 R235 I237I220-L222 HydrophobicContact CG2-CD2 4.03Å; I220-Y234 WeakPolarHBondContact O-CA 3.19Å; I220-R235 PolarHBondContact N-O 3.28Å; I220-R235 PolarHBondContact O-N 2.81Å; I220-I237 HydrophobicContact CD1-CG1 4.31Å; I220-I237 HydrophobicContact CG1-CG1 4.04Å
221R90Very high85.6Confident69 Ų6969.8 Ų69.826%0.2637%0.373SS..EExtended strand (participates in β ladder)trans-81.6132.5168.8-171.1-173.166.9-120.8-1.5109.5H212 G223 V232 Y234H212-R221 PolarHBondContact NE2-NH1 2.88Å; R221-G223 PolarHBondContact NE-O 2.87Å; R221-V232 HydrophobicContact CG-CB 4.05Å; R221-V232 HydrophobicContact CG-CG1 4.48Å; R221-Y234 HydrophobicContact CB-CD1 4.06Å; R221-Y234 HydrophobicContact CB-CE1 3.81Å; R221-Y234 HydrophobicContact CG-CD1 4.4Å; R221-Y234 HydrophobicContact CG-CE1 3.99Å
222L84.5Confident85.8Confident76 Ų7668.2 Ų68.240%0.39836%0.357SS..EExtended strand (participates in β ladder)trans-111.3122173.2-53.1174.6000107.5I220 V232 T233 R235I220-L222 HydrophobicContact CG2-CD2 4.03Å; L222-V232 WeakPolarHBondContact O-CA 3.35Å; L222-T233 WeakPolarHBondContact CB-O 3.34Å; L222-T233 PolarHBondContact N-O 2.91Å; L222-T233 PolarHBondContact O-N 3.48Å; L222-R235 HydrophobicContact CD1-CB 4.48Å
223G80.2Confident86Confident34 Ų3465.4 Ų65.435%0.35135%0.347SS..  trans117.5126.3-172.300000112.1R221R221-G223 PolarHBondContact NE-O 2.87Å
224E80.8Confident86.3Confident175 Ų17565.3 Ų65.382%0.81835%0.347SS*.  trans-116.8-12.9-175.4-62.7-178.6165.100113
225Q84.2Confident86.6Confident123 Ų12371.2 Ų71.258%0.57536%0.364SS*.  trans-92.9127.1175.9-63.2-173.6-4.400110.2N230Q225-N230 HydrophobicContact CB-CB 4.13Å; Q225-N230 WeakPolarHBondContact O-CB 3.33Å; Q225-N230 PolarHBondContact OE1-ND2 3.4Å; Q225-N230 VanDerWaalsContact OE1-ND2 3.17Å; Q225-N230 PolarHBondContact OE1-OD1 3.2Å
226F90.4Very high86.9Confident46 Ų4664 Ų6420%0.20233%0.331CS..  trans-113.211.8-175.5-50.4-43000113.5C210 H212 P213 V232 W256C210-F226 PolarHBondContact N-O 2.87Å; H212-F226 AromaticContact CD2-CE2 3.75Å; H212-F226 AromaticContact CD2-CZ 3.78Å; P213-F226 HydrophobicContact CG-CD1 4.23Å; P213-F226 HydrophobicContact CG-CE1 4.13Å; F226-V232 HydrophobicContact CD1-CG1 4.21Å; F226-V232 HydrophobicContact CE1-CG1 4.16Å; F226-W256 HydrophobicContact CB-CZ2 3.92Å; F226-W256 HydrophobicContact CD1-CH2 4.3Å; F226-W256 AromaticContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CG-CZ2 4.28Å
227T89.2Confident87Confident49 Ų4966.8 Ų66.830%0.30135%0.345SS..BIsolated β-bridgetrans-97.8152.4177.648.10000112A207 R208 N230 C250A207-T227 HydrophobicContact CB-CG2 4.37Å; R208-T227 CarbonylContact O-C 3.49Å; R208-T227 VanDerWaalsContact O-CA 3.23Å; R208-T227 WeakPolarHBondContact O-CA 3.39Å; T227-N230 WeakPolarHBondContact O-CB 3.49Å; T227-N230 PolarHBondContact O-N 3.39Å; T227-N230 PolarHBondContact O-ND2 3.02Å; T227-C250 VanDerWaalsContact C-SG 3.6Å
228Y86.5Confident87Confident66 Ų6666.1 Ų66.126%0.25934%0.342SS..THydrogen-bonded Turntrans-55136.8172.2176-102.2000110.9Y177 A207 R208 C250 N252Y177-Y228 HydrophobicContact CD2-CD1 4.49Å; Y177-Y228 AromaticContact CE2-CD1 3.88Å; Y177-Y228 HydrophobicContact CE2-CD1 3.88Å; Y177-Y228 AromaticContact CE2-CE1 3.97Å; Y177-Y228 HydrophobicContact CE2-CE1 3.97Å; A207-Y228 WeakPolarHBondContact CB-O 3.33Å; R208-Y228 PolarHBondContact O-N 3.26Å; Y228-C250 WeakPolarHBondContact CD2-O 3.03Å; Y228-C250 PolarHBondContact N-SG 3.15Å; Y228-N252 HydrophobicContact CD2-CB 3.98Å; Y228-N252 HydrophobicContact CE1-CB 4.42Å; Y228-N252 HydrophobicContact CE2-CB 3.67Å; Y228-N252 HydrophobicContact CG-CB 4.5Å
229P86.3Confident86.8Confident77 Ų7763.8 Ų63.850%0.533%0.33SS..THydrogen-bonded Turncis-100.733.12.540.7-35.6000113.8
230N88.9Confident86.8Confident45 Ų4565 Ų6524%0.24133%0.332CS..  trans-71.2159.5-170.9-71-70.7000114.5Q225 T227 C250Q225-N230 HydrophobicContact CB-CB 4.13Å; Q225-N230 WeakPolarHBondContact O-CB 3.33Å; Q225-N230 PolarHBondContact OE1-ND2 3.4Å; Q225-N230 VanDerWaalsContact OE1-ND2 3.17Å; Q225-N230 PolarHBondContact OE1-OD1 3.2Å; T227-N230 WeakPolarHBondContact O-CB 3.49Å; T227-N230 PolarHBondContact O-N 3.39Å; T227-N230 PolarHBondContact O-ND2 3.02Å; N230-C250 WeakPolarHBondContact O-CB 3.2Å; N230-C250 PolarHBondContact O-N 3.05Å
231T90.5Very high86.8Confident71 Ų7165.1 Ų65.144%0.43633%0.328SS..EExtended strand (participates in β ladder)trans-124.1154.1176.362.90000110.8L248 T249T231-L248 CarbonylContact C-O 3.57Å; T231-L248 VanDerWaalsContact CA-O 3.28Å; T231-L248 WeakPolarHBondContact CA-O 3.12Å; T231-L248 WeakPolarHBondContact CB-O 3.45Å; T231-T249 HydrophobicContact CG2-CG2 4.04Å
232V89.2Confident86.6Confident0 Ų064.6 Ų64.60%033%0.33CS..EExtended strand (participates in β ladder)trans-123.8138.6171.3-64.70000109.8P213 R221 L222 F226 Y234 T247 L248 W256P213-V232 HydrophobicContact CB-CG2 4.1Å; P213-V232 HydrophobicContact CG-CG1 4.28Å; P213-V232 HydrophobicContact CG-CG2 3.97Å; R221-V232 HydrophobicContact CG-CB 4.05Å; R221-V232 HydrophobicContact CG-CG1 4.48Å; L222-V232 WeakPolarHBondContact O-CA 3.35Å; F226-V232 HydrophobicContact CD1-CG1 4.21Å; F226-V232 HydrophobicContact CE1-CG1 4.16Å; V232-Y234 HydrophobicContact CG2-CE2 4.29Å; V232-T247 WeakPolarHBondContact O-CA 3.4Å; V232-L248 HydrophobicContact CG2-CB 3.83Å; V232-L248 HydrophobicContact CG2-CD1 4.46Å; V232-L248 HydrophobicContact CG2-CG 4.43Å; V232-L248 PolarHBondContact N-O 2.91Å; V232-L248 PolarHBondContact O-N 2.83Å; V232-W256 HydrophobicContact CB-CH2 4.5Å; V232-W256 HydrophobicContact CG1-CH2 3.77Å; V232-W256 HydrophobicContact CG1-CZ2 4.48Å; V232-W256 HydrophobicContact CG1-CZ3 4.25Å; V232-W256 HydrophobicContact CG2-CE3 4.3Å; V232-W256 HydrophobicContact CG2-CH2 4.06Å; V232-W256 HydrophobicContact CG2-CZ3 3.84Å
233T90.2Very high86.9Confident48 Ų4868.2 Ų68.229%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-118.1122.9-178.4-51.70000110.6L222 S246 T247L222-T233 WeakPolarHBondContact CB-O 3.34Å; L222-T233 PolarHBondContact N-O 2.91Å; L222-T233 PolarHBondContact O-N 3.48Å; T233-S246 CarbonylContact C-O 3.48Å; T233-S246 WeakPolarHBondContact CA-O 3.47Å; T233-T247 HydrophobicContact CG2-CG2 4.08Å
234Y89.8Confident87.2Confident2 Ų269.3 Ų69.31%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-88.7136.1171.4-65.3-87.8000110.8G214 V216 A219 I220 R221 V232 L242 S246 L248 P261G214-Y234 PolarHBondContact O-OH 2.79Å; V216-Y234 HydrophobicContact CB-CD1 3.94Å; V216-Y234 HydrophobicContact CB-CE1 4.11Å; V216-Y234 HydrophobicContact CG2-CD1 3.88Å; V216-Y234 HydrophobicContact CG2-CE1 3.77Å; V216-Y234 HydrophobicContact CG2-CG 4.35Å; A219-Y234 HydrophobicContact CB-CD1 4.22Å; I220-Y234 WeakPolarHBondContact O-CA 3.19Å; R221-Y234 HydrophobicContact CB-CD1 4.06Å; R221-Y234 HydrophobicContact CB-CE1 3.81Å; R221-Y234 HydrophobicContact CG-CD1 4.4Å; R221-Y234 HydrophobicContact CG-CE1 3.99Å; V232-Y234 HydrophobicContact CG2-CE2 4.29Å; Y234-L242 VanDerWaalsContact O-CD1 3.3Å; Y234-L242 WeakPolarHBondContact O-CD1 3.27Å; Y234-S246 PolarHBondContact N-O 2.95Å; Y234-L248 HydrophobicContact CE2-CD1 3.92Å; Y234-L248 HydrophobicContact CE2-CG 4.25Å; Y234-P261 HydrophobicContact CD2-CG 3.93Å; Y234-P261 HydrophobicContact CG-CG 4Å
235R89.2Confident87.4Confident139 Ų13966.9 Ų66.953%0.52534%0.342SS..EExtended strand (participates in β ladder)trans-128126.2171.6-173-173.171.7-153.8-1.4109.2A219 I220 L222A219-R235 CarbonylContact C-O 3.49Å; A219-R235 WeakPolarHBondContact CA-O 3.49Å; I220-R235 PolarHBondContact N-O 3.28Å; I220-R235 PolarHBondContact O-N 2.81Å; L222-R235 HydrophobicContact CD1-CB 4.48Å
236C88.8Confident87.5Confident14 Ų1463.3 Ų63.310%0.09533%0.331CS..EExtended strand (participates in β ladder)trans-62.2153.9175.5-57.70000112.4N218 F240 Y241 L242 C263N218-C236 WeakPolarHBondContact O-CA 3.46Å; C236-F240 HydrophobicContact CB-CB 4.02Å; C236-F240 WeakPolarHBondContact CB-O 3.33Å; C236-Y241 VanDerWaalsContact SG-C 3.54Å; C236-L242 WeakPolarHBondContact SG-CA 3.26Å; C236-L242 VanDerWaalsContact SG-CB 3.51Å; C236-L242 PolarHBondContact SG-N 3.23Å; C236-L242 VanDerWaalsContact SG-N 3.41Å; C236-C263 WeakPolarHBondContact CA-SG 3.44Å; C236-C263 HydrophobicContact CB-CB 3.88Å; C236-C263 WeakPolarHBondContact CB-SG 3.49Å; C236-C263 VanDerWaalsContact SG-CA 3.55Å; C236-C263 WeakPolarHBondContact SG-CB 3.19Å; C236-C263 CovalentContact SG-SG 2.03Å; C236-C263 PolarHBondContact SG-SG 2.99Å
237I85.9Confident87.4Confident79 Ų7964.1 Ų64.141%0.40534%0.339SS..PPolyproline II helixtrans-75.6146.6172-60.3174000109N218 I220 G239 F240N218-I237 WeakPolarHBondContact O-CG1 3.38Å; N218-I237 PolarHBondContact O-N 3.37Å; I220-I237 HydrophobicContact CD1-CG1 4.31Å; I220-I237 HydrophobicContact CG1-CG1 4.04Å; I237-G239 PolarHBondContact O-N 2.88Å; I237-F240 PolarHBondContact O-N 2.99Å
238D83Confident87.5Confident131 Ų13161.9 Ų61.970%0.70133%0.326SS*.THydrogen-bonded Turntrans-49122.9178.5-70.80.8000111.3F286D238-F286 WeakPolarHBondContact O-CE1 3.33Å
239G80.6Confident87.6Confident3 Ų361.7 Ų61.73%0.03133%0.331CS..THydrogen-bonded Turntrans105.7-10.4-172.700000114.8I237 I266 F286I237-G239 PolarHBondContact O-N 2.88Å; G239-I266 WeakPolarHBondContact O-CB 3.45Å; G239-I266 WeakPolarHBondContact O-CG1 3.19Å; G239-I266 PolarHBondContact O-N 3.23Å; G239-F286 WeakPolarHBondContact O-CB 3.48Å
240F88.7Confident87.8Confident47 Ų4758 Ų5821%0.20631%0.308CS..EExtended strand (participates in β ladder)trans-119.2145.2172.4-63.2-98.9000110.8N218 C236 I237 C263 K264 P265 F286N218-F240 HydrophobicContact CB-CB 4.31Å; N218-F240 HydrophobicContact CB-CD1 3.71Å; N218-F240 HydrophobicContact CB-CD2 3.8Å; N218-F240 HydrophobicContact CB-CE1 3.95Å; N218-F240 HydrophobicContact CB-CE2 4Å; N218-F240 HydrophobicContact CB-CG 3.66Å; N218-F240 HydrophobicContact CB-CZ 4.08Å; N218-F240 VanDerWaalsContact CG-CE1 3.5Å; N218-F240 VanDerWaalsContact CG-CZ 3.5Å; N218-F240 WeakPolarHBondContact ND2-CE1 3.03Å; C236-F240 HydrophobicContact CB-CB 4.02Å; C236-F240 WeakPolarHBondContact CB-O 3.33Å; I237-F240 PolarHBondContact O-N 2.99Å; F240-C263 HydrophobicContact CB-CB 4.04Å; F240-K264 CarbonylContact C-O 3.59Å; F240-K264 WeakPolarHBondContact CA-O 3.41Å; F240-K264 WeakPolarHBondContact CB-O 3.48Å; F240-P265 HydrophobicContact CD1-CB 4.2Å; F240-P265 HydrophobicContact CE1-CB 3.98Å; F240-F286 HydrophobicContact CD2-CD1 4.44Å; F240-F286 HydrophobicContact CE2-CD1 4.01Å; F240-F286 HydrophobicContact CE2-CE1 4.38Å
241Y86.3Confident87.9Confident74 Ų7456.9 Ų56.929%0.2930%0.304SS..EExtended strand (participates in β ladder)trans-110.1145.7175.374.9-90000111.4C236 R243 C263 K264 P265 I266C236-Y241 VanDerWaalsContact SG-C 3.54Å; Y241-R243 HydrophobicContact CE2-CB 4.45Å; Y241-C263 WeakPolarHBondContact O-CA 3.31Å; Y241-K264 HydrophobicContact CD1-CB 4.24Å; Y241-K264 WeakPolarHBondContact CD1-O 3.18Å; Y241-K264 HydrophobicContact CE1-CB 3.67Å; Y241-K264 HydrophobicContact CE2-CB 4.3Å; Y241-K264 PolarHBondContact N-O 3.41Å; Y241-K264 PolarHBondContact O-N 2.95Å; Y241-P265 VanDerWaalsContact CE1-O 3.26Å; Y241-P265 WeakPolarHBondContact CE1-O 3.37Å; Y241-I266 HydrophobicContact CD1-CG1 4.27Å
242L86.6Confident87.7Confident58 Ų5857.1 Ų57.130%0.30430%0.303SS..EExtended strand (participates in β ladder)trans-83.7131.6-176.6-165.4141.1000110.9Y234 C236 G244 P261Y234-L242 VanDerWaalsContact O-CD1 3.3Å; Y234-L242 WeakPolarHBondContact O-CD1 3.27Å; C236-L242 WeakPolarHBondContact SG-CA 3.26Å; C236-L242 VanDerWaalsContact SG-CB 3.51Å; C236-L242 PolarHBondContact SG-N 3.23Å; C236-L242 VanDerWaalsContact SG-N 3.41Å; L242-G244 VanDerWaalsContact CD2-O 3.24Å; L242-G244 WeakPolarHBondContact CD2-O 3.4Å; L242-P261 HydrophobicContact CD1-CB 4.11Å; L242-P261 HydrophobicContact CD1-CG 4.3Å; L242-P261 HydrophobicContact CD2-CB 3.89Å; L242-P261 HydrophobicContact CG-CB 3.92Å
243R89.4Confident87.7Confident151 Ų15160.3 Ų60.357%0.5732%0.32SS*.EExtended strand (participates in β ladder)trans-126.9115.8173.8175.6177.9174.1148.1-1.7109.3Y241 T262Y241-R243 HydrophobicContact CE2-CB 4.45Å; R243-T262 PolarHBondContact N-O 2.03Å; R243-T262 PolarHBondContact O-N 2.79Å; R243-T262 PolarHBondContact O-OG1 2.91Å
244G85.9Confident87.4Confident58 Ų5859 Ų5960%0.59832%0.316SS*.SBendtrans122.7-174.3-170.200000110.8L242L242-G244 VanDerWaalsContact CD2-O 3.24Å; L242-G244 WeakPolarHBondContact CD2-O 3.4Å
245L85.7Confident87.4Confident123 Ų12367.5 Ų67.564%0.64435%0.348SS*.  trans-80138169.1-67.2172.7000109.5T247 P261L245-T247 VanDerWaalsContact C-N 3.34Å; L245-P261 VanDerWaalsContact O-CB 3.31Å; L245-P261 WeakPolarHBondContact O-CB 3.37Å; L245-P261 WeakPolarHBondContact O-CD 2.98Å; L245-P261 VanDerWaalsContact O-CG 3.29Å; L245-P261 WeakPolarHBondContact O-CG 3.23Å
246S86.8Confident87.4Confident49 Ų4963.1 Ų63.134%0.34333%0.331SS..SBendtrans-76.7-20.6179.750.70000113.5T233 Y234T233-S246 CarbonylContact C-O 3.48Å; T233-S246 WeakPolarHBondContact CA-O 3.47Å; Y234-S246 PolarHBondContact N-O 2.95Å
247T88.7Confident87.4Confident62 Ų6266.6 Ų66.638%0.3835%0.352SS..EExtended strand (participates in β ladder)trans-112.6133.1-170.650.20000112.8V232 T233 L245V232-T247 WeakPolarHBondContact O-CA 3.4Å; T233-T247 HydrophobicContact CG2-CG2 4.08Å; L245-T247 VanDerWaalsContact C-N 3.34Å
248L89.8Confident87.3Confident3 Ų364.9 Ų64.92%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-109.8142.5163.7-56.1-179.4000109.8P213 T231 V232 Y234 W256 V257 G258 K260P213-L248 HydrophobicContact CB-CD1 4.23Å; T231-L248 CarbonylContact C-O 3.57Å; T231-L248 VanDerWaalsContact CA-O 3.28Å; T231-L248 WeakPolarHBondContact CA-O 3.12Å; T231-L248 WeakPolarHBondContact CB-O 3.45Å; V232-L248 HydrophobicContact CG2-CB 3.83Å; V232-L248 HydrophobicContact CG2-CD1 4.46Å; V232-L248 HydrophobicContact CG2-CG 4.43Å; V232-L248 PolarHBondContact N-O 2.91Å; V232-L248 PolarHBondContact O-N 2.83Å; Y234-L248 HydrophobicContact CE2-CD1 3.92Å; Y234-L248 HydrophobicContact CE2-CG 4.25Å; L248-W256 HydrophobicContact CB-CD2 4.49Å; L248-W256 HydrophobicContact CB-CE3 3.76Å; L248-W256 HydrophobicContact CB-CZ3 4.38Å; L248-V257 WeakPolarHBondContact CA-O 3.24Å; L248-G258 VanDerWaalsContact CD2-C 3.42Å; L248-G258 WeakPolarHBondContact CD2-O 3.39Å; L248-K260 HydrophobicContact CD1-CG 4.41Å
249T90.3Very high87.4Confident61 Ų6166.7 Ų66.737%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-116.5131.5-178.7-59.90000110.6T231 A251 W256 V257T231-T249 HydrophobicContact CG2-CG2 4.04Å; T249-A251 PolarHBondContact O-N 2.85Å; T249-W256 VanDerWaalsContact C-CE3 3.49Å; T249-W256 WeakPolarHBondContact O-CA 3.4Å; T249-V257 PolarHBondContact N-O 3.43Å; T249-V257 VanDerWaalsContact N-O 3.13Å; T249-V257 PolarHBondContact O-N 3.21Å
250C90.2Very high87.5Confident1 Ų172.3 Ų72.31%0.00738%0.382CS..EExtended strand (participates in β ladder)trans-78.6116.1172.3179.70000109.5C210 T227 Y228 N230 W256C210-C250 HydrophobicContact CB-CB 3.82Å; C210-C250 WeakPolarHBondContact CB-SG 3.4Å; C210-C250 WeakPolarHBondContact SG-CA 3.08Å; C210-C250 WeakPolarHBondContact SG-CB 3.23Å; C210-C250 CovalentContact SG-SG 2.03Å; C210-C250 PolarHBondContact SG-SG 3.12Å; T227-C250 VanDerWaalsContact C-SG 3.6Å; Y228-C250 WeakPolarHBondContact CD2-O 3.03Å; Y228-C250 PolarHBondContact N-SG 3.15Å; N230-C250 WeakPolarHBondContact O-CB 3.2Å; N230-C250 PolarHBondContact O-N 3.05Å; C250-W256 HydrophobicContact CB-CE3 4.13Å; C250-W256 HydrophobicContact CB-CH2 3.99Å; C250-W256 HydrophobicContact CB-CZ2 4.46Å; C250-W256 HydrophobicContact CB-CZ3 3.81Å
251A89.5Confident87.5Confident20 Ų2070.2 Ų70.217%0.16537%0.373CS..  trans-86.7165-179.400000112.9T249 D253 G254 R255 V257T249-A251 PolarHBondContact O-N 2.85Å; A251-D253 WeakPolarHBondContact CB-OD1 3.02Å; A251-D253 PolarHBondContact O-N 3.21Å; A251-G254 PolarHBondContact O-N 2.7Å; A251-G254 VanDerWaalsContact O-N 3.09Å; A251-R255 PolarHBondContact N-O 3Å; A251-V257 HydrophobicContact CB-CG2 3.7Å
252N87.6Confident87.6Confident76 Ų7669.9 Ų69.941%0.40638%0.379SS..THydrogen-bonded Turntrans-71.6-4.8-176.464.9-5.5000114.5G176 Y228G176-N252 WeakPolarHBondContact CA-O 3.32Å; Y228-N252 HydrophobicContact CD2-CB 3.98Å; Y228-N252 HydrophobicContact CE1-CB 4.42Å; Y228-N252 HydrophobicContact CE2-CB 3.67Å; Y228-N252 HydrophobicContact CG-CB 4.5Å
253D88.1Confident87.7Confident68 Ų6867.8 Ų67.836%0.36437%0.369SS..THydrogen-bonded Turntrans-84.5-20.6170.170.7-25.3000112.6R208 A251 R255R208-D253 PolarHBondContact NH1-O 3.36Å; A251-D253 WeakPolarHBondContact CB-OD1 3.02Å; A251-D253 PolarHBondContact O-N 3.21Å; D253-R255 WeakPolarHBondContact OD1-CB 3.41Å; D253-R255 PolarHBondContact OD1-N 2.82Å; D253-R255 VanDerWaalsContact OD2-CD 3.25Å; D253-R255 WeakPolarHBondContact OD2-CD 3.49Å; D253-R255 WeakPolarHBondContact OD2-CG 3.34Å; D253-R255 IonicContact OD2-NE 3.29Å; D253-R255 IonicContact OD2-NH1 3.03Å
254G84.4Confident87.5Confident20 Ų2065 Ų6521%0.20636%0.361CS..SBendtrans98.723.8-171.300000114.2C210 A251C210-G254 WeakPolarHBondContact CA-O 3.43Å; A251-G254 PolarHBondContact O-N 2.7Å; A251-G254 VanDerWaalsContact O-N 3.09Å
255R90.2Very high87.4Confident180 Ų18064.2 Ų64.268%0.67935%0.345SS*.  trans-121.1149.9176.7-61.6-176.2177.5149.3-6.6113.2C210 A251 D253C210-R255 PolarHBondContact SG-N 2.97Å; C210-R255 VanDerWaalsContact SG-N 3.43Å; C210-R255 PolarHBondContact SG-O 3.04Å; C210-R255 VanDerWaalsContact SG-O 3.34Å; A251-R255 PolarHBondContact N-O 3Å; D253-R255 WeakPolarHBondContact OD1-CB 3.41Å; D253-R255 PolarHBondContact OD1-N 2.82Å; D253-R255 VanDerWaalsContact OD2-CD 3.25Å; D253-R255 WeakPolarHBondContact OD2-CD 3.49Å; D253-R255 WeakPolarHBondContact OD2-CG 3.34Å; D253-R255 IonicContact OD2-NE 3.29Å; D253-R255 IonicContact OD2-NH1 3.03Å
256W88.9Confident87.4Confident47 Ų4759 Ų5918%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-76.6123.6169.8-71.5104.7000110.6C210 G211 P213 F226 V232 L248 T249 C250C210-W256 HydrophobicContact CB-CD2 3.95Å; C210-W256 HydrophobicContact CB-CG 4.02Å; C210-W256 HydrophobicContact CB-CZ2 4.11Å; C210-W256 PolarHBondContact O-NE1 2.89Å; G211-W256 PolarHBondContact O-NE1 2.85Å; P213-W256 HydrophobicContact CB-CD2 4.12Å; P213-W256 HydrophobicContact CB-CG 4.39Å; P213-W256 HydrophobicContact CB-CZ2 4.14Å; P213-W256 HydrophobicContact CG-CZ2 4.03Å; F226-W256 HydrophobicContact CB-CZ2 3.92Å; F226-W256 HydrophobicContact CD1-CH2 4.3Å; F226-W256 AromaticContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CD1-CZ2 3.89Å; F226-W256 HydrophobicContact CG-CZ2 4.28Å; V232-W256 HydrophobicContact CB-CH2 4.5Å; V232-W256 HydrophobicContact CG1-CH2 3.77Å; V232-W256 HydrophobicContact CG1-CZ2 4.48Å; V232-W256 HydrophobicContact CG1-CZ3 4.25Å; V232-W256 HydrophobicContact CG2-CE3 4.3Å; V232-W256 HydrophobicContact CG2-CH2 4.06Å; V232-W256 HydrophobicContact CG2-CZ3 3.84Å; L248-W256 HydrophobicContact CB-CD2 4.49Å; L248-W256 HydrophobicContact CB-CE3 3.76Å; L248-W256 HydrophobicContact CB-CZ3 4.38Å; T249-W256 VanDerWaalsContact C-CE3 3.49Å; T249-W256 WeakPolarHBondContact O-CA 3.4Å; C250-W256 HydrophobicContact CB-CE3 4.13Å; C250-W256 HydrophobicContact CB-CH2 3.99Å; C250-W256 HydrophobicContact CB-CZ2 4.46Å; C250-W256 HydrophobicContact CB-CZ3 3.81Å
257V89.7Confident87.4Confident87 Ų8762.1 Ų62.153%0.52733%0.327SS..EExtended strand (participates in β ladder)trans-93.3126.8173.8178.40000109.5L248 T249 A251L248-V257 WeakPolarHBondContact CA-O 3.24Å; T249-V257 PolarHBondContact N-O 3.43Å; T249-V257 VanDerWaalsContact N-O 3.13Å; T249-V257 PolarHBondContact O-N 3.21Å; A251-V257 HydrophobicContact CB-CG2 3.7Å
258G83.2Confident87.4Confident43 Ų4359.6 Ų59.644%0.44331%0.312SS..SBendtrans117.4155.3-179.700000113.1L248L248-G258 VanDerWaalsContact CD2-C 3.42Å; L248-G258 WeakPolarHBondContact CD2-O 3.39Å
259E85.3Confident87.3Confident169 Ų16963.7 Ų63.779%0.7934%0.338SS*.PPolyproline II helixtrans-85.4147.3171.7-64.6-171.9155.700111.1
260K82.4Confident87.2Confident121 Ų12171.1 Ų71.153%0.52636%0.36SS..PPolyproline II helixtrans-69.6125.8177.9-53.1-168.9-168.7-1670109.7P213 V216 L248P213-K260 VanDerWaalsContact O-CE 3.26Å; P213-K260 WeakPolarHBondContact O-CE 3.41Å; P213-K260 PolarHBondContact O-NZ 3.2Å; V216-K260 HydrophobicContact CG2-CB 4.26Å; L248-K260 HydrophobicContact CD1-CG 4.41Å
261P87.7Confident86.9Confident4 Ų472.3 Ų72.33%0.02637%0.367CS..PPolyproline II helixtrans-66.6161.2178.325-31.9000112V216 Y234 L242 L245V216-P261 WeakPolarHBondContact CG1-O 3.25Å; V216-P261 WeakPolarHBondContact CG2-O 3.09Å; Y234-P261 HydrophobicContact CD2-CG 3.93Å; Y234-P261 HydrophobicContact CG-CG 4Å; L242-P261 HydrophobicContact CD1-CB 4.11Å; L242-P261 HydrophobicContact CD1-CG 4.3Å; L242-P261 HydrophobicContact CD2-CB 3.89Å; L242-P261 HydrophobicContact CG-CB 3.92Å; L245-P261 VanDerWaalsContact O-CB 3.31Å; L245-P261 WeakPolarHBondContact O-CB 3.37Å; L245-P261 WeakPolarHBondContact O-CD 2.98Å; L245-P261 VanDerWaalsContact O-CG 3.29Å; L245-P261 WeakPolarHBondContact O-CG 3.23Å
262T88.5Confident86.7Confident67 Ų6779.3 Ų79.341%0.41139%0.394SS..EExtended strand (participates in β ladder)trans-115.7135.3174.256.60000110.3R243R243-T262 PolarHBondContact N-O 2.03Å; R243-T262 PolarHBondContact O-N 2.79Å; R243-T262 PolarHBondContact O-OG1 2.91Å
263C89.5Confident86.5Confident14 Ų1478.5 Ų78.510%0.09540%0.398CS..EExtended strand (participates in β ladder)trans-99.8104.2174.1-70.60000109.5L217 N218 C236 F240 Y241L217-C263 WeakPolarHBondContact O-CB 3.45Å; N218-C263 HydrophobicContact CB-CB 4.02Å; C236-C263 WeakPolarHBondContact CA-SG 3.44Å; C236-C263 HydrophobicContact CB-CB 3.88Å; C236-C263 WeakPolarHBondContact CB-SG 3.49Å; C236-C263 VanDerWaalsContact SG-CA 3.55Å; C236-C263 WeakPolarHBondContact SG-CB 3.19Å; C236-C263 CovalentContact SG-SG 2.03Å; C236-C263 PolarHBondContact SG-SG 2.99Å; F240-C263 HydrophobicContact CB-CB 4.04Å; Y241-C263 WeakPolarHBondContact O-CA 3.31Å
264K85.5Confident86.4Confident93 Ų9376.3 Ų76.340%0.40439%0.388SS..EExtended strand (participates in β ladder)trans-90.8145.7178.2-71.5-156169.7-151.40110.8F240 Y241F240-K264 CarbonylContact C-O 3.59Å; F240-K264 WeakPolarHBondContact CA-O 3.41Å; F240-K264 WeakPolarHBondContact CB-O 3.48Å; Y241-K264 HydrophobicContact CD1-CB 4.24Å; Y241-K264 WeakPolarHBondContact CD1-O 3.18Å; Y241-K264 HydrophobicContact CE1-CB 3.67Å; Y241-K264 HydrophobicContact CE2-CB 4.3Å; Y241-K264 PolarHBondContact N-O 3.41Å; Y241-K264 PolarHBondContact O-N 2.95Å
265P82.9Confident86.5Confident41 Ų4181.6 Ų81.627%0.26641%0.41SS..EExtended strand (participates in β ladder)trans-60.7148.5176.927.4-35000110.2F240 Y241 D285 F286F240-P265 HydrophobicContact CD1-CB 4.2Å; F240-P265 HydrophobicContact CE1-CB 3.98Å; Y241-P265 VanDerWaalsContact CE1-O 3.26Å; Y241-P265 WeakPolarHBondContact CE1-O 3.37Å; P265-D285 HydrophobicContact CB-CB 4.38Å; P265-F286 HydrophobicContact CB-CB 4.49Å
266I85.2Confident86.4Confident14 Ų1478 Ų787%0.07240%0.397CS..PPolyproline II helixtrans-71.5132.6168.3-76.7174.2000109G239 Y241 D285 F286 S310 R312G239-I266 WeakPolarHBondContact O-CB 3.45Å; G239-I266 WeakPolarHBondContact O-CG1 3.19Å; G239-I266 PolarHBondContact O-N 3.23Å; Y241-I266 HydrophobicContact CD1-CG1 4.27Å; I266-D285 CarbonylContact O-C 3.5Å; I266-F286 PolarHBondContact O-N 3.41Å; I266-S310 VanDerWaalsContact CD1-O 3.26Å; I266-S310 WeakPolarHBondContact CD1-O 3.17Å; I266-R312 HydrophobicContact CG2-CB 3.96Å; I266-R312 HydrophobicContact CG2-CG 3.59Å
267E87.4Confident86.2Confident114 Ų11476.1 Ų76.153%0.53339%0.393SS..BIsolated β-bridgetrans-98.8130174-66.1166.2-129.300109.8V284E267-V284 WeakPolarHBondContact CA-O 3.49Å; E267-V284 HydrophobicContact CB-CG2 4.2Å; E267-V284 HydrophobicContact CG-CG2 4.36Å
268C88.2Confident86.2Confident8 Ų877.3 Ų77.35%0.05439%0.393CS..PPolyproline II helixtrans-85.3159.9171-73.40000111.7V284 C308 R312 S313 W314C268-V284 PolarHBondContact N-O 3.14Å; C268-V284 WeakPolarHBondContact O-CB 3.1Å; C268-C308 HydrophobicContact CB-CB 3.87Å; C268-C308 WeakPolarHBondContact CB-SG 3.45Å; C268-C308 WeakPolarHBondContact SG-CA 3.34Å; C268-C308 WeakPolarHBondContact SG-CB 3.27Å; C268-C308 CovalentContact SG-SG 2.04Å; C268-C308 PolarHBondContact SG-SG 3.02Å; C268-R312 VanDerWaalsContact SG-C 3.58Å; C268-S313 PolarHBondContact SG-O 2.72Å; C268-W314 HydrophobicContact CB-CD2 4.43Å; C268-W314 HydrophobicContact CB-CZ2 4.15Å
269P88.4Confident86.5Confident89 Ų8977.5 Ų77.558%0.57839%0.385SS*.PPolyproline II helixtrans-58.3139.1171.8-22.833.4000111.4P271 R312 W314P269-P271 WeakPolarHBondContact O-CD 3.45Å; P269-R312 WeakPolarHBondContact CD-O 3.3Å; P269-W314 PolarHBondContact O-NE1 2.88Å
270R87.7Confident86.6Confident218 Ų21875 Ų7582%0.82337%0.373SS*.PPolyproline II helixtrans-58.6121.3176.7-71.7-179.8-177.7179.41.7110.1V284R270-V284 HydrophobicContact CB-CG1 4.42Å; R270-V284 HydrophobicContact CG-CG1 3.79Å
271P84Confident86.4Confident26 Ų2671.2 Ų71.217%0.16937%0.368CS..PPolyproline II helixtrans-68.5140.6-177.524.5-29.2000111.1P269 V279 V290 Y292 W314P269-P271 WeakPolarHBondContact O-CD 3.45Å; P271-V279 HydrophobicContact CG-CG2 4.33Å; P271-V290 HydrophobicContact CB-CG2 4.43Å; P271-V290 HydrophobicContact CG-CB 4.4Å; P271-V290 HydrophobicContact CG-CG1 3.85Å; P271-V290 HydrophobicContact CG-CG2 4.08Å; P271-Y292 WeakPolarHBondContact CB-OH 3.22Å; P271-W314 HydrophobicContact CG-CZ2 4.02Å
272K85.9Confident85.9Confident166 Ų16677.6 Ų77.672%0.72241%0.408SS*.PPolyproline II helixtrans-85.6149.3176.2-64-178.7-179.7-179.30109.9Y292K272-Y292 WeakPolarHBondContact O-CE1 3.36Å
273A84.3Confident85.7Confident60 Ų6077 Ų7750%0.49641%0.407SS..PPolyproline II helixtrans-72.1137.1163.900000109.6V279A273-V279 HydrophobicContact CB-CG1 4.32Å
274P85Confident85.7Confident22 Ų2277.3 Ų77.314%0.14341%0.408CS..PPolyproline II helixtrans-71.1159.816931.4-34.1000110.4G277 Y292P274-G277 PolarHBondContact O-N 3.18Å; P274-Y292 HydrophobicContact CG-CD1 4.32Å
275L86.3Confident85.7Confident130 Ų13076 Ų7668%0.68141%0.405SS*.THydrogen-bonded Turntrans-60.1138.5170.1-166.870.8000109.4G277 C321L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 2.88Å; L275-C321 WeakPolarHBondContact O-CB 3.35Å
276Y87.4Confident85.9Confident104 Ų10476 Ų7641%0.40840%0.401SS..THydrogen-bonded Turntrans55.836.4-173.2-45.4-63.4000114.3C294 E295 Y298 C321Y276-C294 WeakPolarHBondContact O-CA 3.41Å; Y276-E295 WeakPolarHBondContact CA-OE2 3.47Å; Y276-E295 PolarHBondContact O-N 2.99Å; Y276-Y298 AromaticContact CD1-CE2 3.96Å; Y276-Y298 HydrophobicContact CD1-CE2 3.96Å; Y276-Y298 AromaticContact CD1-CZ 3.89Å; Y276-Y298 AromaticContact CD2-CD1 3.89Å; Y276-Y298 HydrophobicContact CD2-CD1 3.89Å; Y276-Y298 AromaticContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE2 4.2Å; Y276-Y298 AromaticContact CD2-CZ 3.52Å; Y276-Y298 AromaticContact CE2-CE1 3.88Å; Y276-Y298 HydrophobicContact CE2-CE1 3.88Å; Y276-Y298 AromaticContact CE2-CZ 3.93Å; Y276-Y298 HydrophobicContact CG-CD1 4.1Å; Y276-Y298 HydrophobicContact CG-CD2 4.12Å; Y276-Y298 AromaticContact CG-CE1 3.71Å; Y276-Y298 HydrophobicContact CG-CE1 3.71Å; Y276-Y298 AromaticContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CG 4.31Å; Y276-Y298 AromaticContact CG-CZ 3.49Å; Y276-Y298 VanDerWaalsContact CG-CZ 3.49Å; Y276-C321 PolarHBondContact O-SG 2.84Å
277G86.6Confident85.8Confident8 Ų882 Ų828%0.08243%0.429CS..EExtended strand (participates in β ladder)trans-160.5167.817700000114.4P274 L275 S293P274-G277 PolarHBondContact O-N 3.18Å; L275-G277 VanDerWaalsContact C-N 3.27Å; L275-G277 PolarHBondContact O-N 2.88Å; G277-S293 CarbonylContact C-O 3.53Å; G277-S293 WeakPolarHBondContact CA-O 3.18Å
278Q89.5Confident85.9Confident113 Ų11377.2 Ų77.253%0.52841%0.408SS..EExtended strand (participates in β ladder)trans-131.3144.8-171.7-58.2177.77.600110.1Y292 S293Q278-Y292 CarbonylContact O-C 3.57Å; Q278-Y292 WeakPolarHBondContact O-CA 3.41Å; Q278-S293 PolarHBondContact N-O 3.05Å; Q278-S293 PolarHBondContact O-N 2.75Å; Q278-S293 PolarHBondContact O-OG 3.14Å
279V89.6Confident86Confident46 Ų4682.4 Ų82.428%0.27943%0.429SS..EExtended strand (participates in β ladder)trans-110.6127.6176.764.20000110.5P271 A273 V290 Y292P271-V279 HydrophobicContact CG-CG2 4.33Å; A273-V279 HydrophobicContact CB-CG1 4.32Å; V279-V290 HydrophobicContact CG2-CB 3.91Å; V279-V290 HydrophobicContact CG2-CG1 4.39Å; V279-V290 HydrophobicContact CG2-CG2 4.33Å; V279-Y292 HydrophobicContact CB-CD1 4.17Å; V279-Y292 HydrophobicContact CB-CE1 4.2Å; V279-Y292 HydrophobicContact CG2-CD1 4.21Å; V279-Y292 HydrophobicContact CG2-CE1 4.03Å; V279-Y292 HydrophobicContact CG2-CE2 4.38Å; V279-Y292 HydrophobicContact CG2-CG 4.5Å
280Q87.1Confident86.1Confident117 Ų11778.1 Ų78.155%0.54740%0.402SS..EExtended strand (participates in β ladder)trans-105.7128.4178.7-61.7-178.2-10.400109.8V290 V291Q280-V290 WeakPolarHBondContact O-CA 3.47Å; Q280-V291 HydrophobicContact CB-CB 4.48Å; Q280-V291 PolarHBondContact N-O 2.77Å; Q280-V291 PolarHBondContact O-N 2.84Å
281G78.3Confident86.2Confident41 Ų4169.4 Ų69.442%0.42337%0.373SS..  trans106.7127.8-175.100000112.1V290G281-V290 WeakPolarHBondContact O-CG1 3.39Å
282T77.6Confident86.5Confident138 Ų13868.2 Ų68.285%0.84737%0.365SS*.  trans-117-16.8-172.749.90000114.5
283S83.9Confident86.7Confident56 Ų5661.8 Ų61.839%0.39234%0.341SS..  trans-65.9141.7170.2162.40000110D285 S288S283-D285 PolarHBondContact OG-OD2 3.48Å; S283-S288 PolarHBondContact O-OG 2.85Å; S283-S288 WeakPolarHBondContact OG-CB 3.49Å
284V87.9Confident86.9Confident19 Ų1960.6 Ų60.612%0.11533%0.328CS..  trans-119.53.3179.2-67.30000112.6E267 C268 R270 S288 C308 W314E267-V284 WeakPolarHBondContact CA-O 3.49Å; E267-V284 HydrophobicContact CB-CG2 4.2Å; E267-V284 HydrophobicContact CG-CG2 4.36Å; C268-V284 PolarHBondContact N-O 3.14Å; C268-V284 WeakPolarHBondContact O-CB 3.1Å; R270-V284 HydrophobicContact CB-CG1 4.42Å; R270-V284 HydrophobicContact CG-CG1 3.79Å; V284-S288 VanDerWaalsContact C-OG 3.3Å; V284-C308 PolarHBondContact O-SG 3.46Å; V284-C308 VanDerWaalsContact O-SG 3.33Å; V284-W314 HydrophobicContact CG1-CZ2 4.46Å
285D87.2Confident87Confident65 Ų6563.6 Ų63.635%0.34834%0.34SS..BIsolated β-bridgetrans-66.3161.5-176-49.1-92.4000111.4P265 I266 S283 Q287 S288 C308P265-D285 HydrophobicContact CB-CB 4.38Å; I266-D285 CarbonylContact O-C 3.5Å; S283-D285 PolarHBondContact OG-OD2 3.48Å; D285-Q287 PolarHBondContact O-N 2.03Å; D285-S288 PolarHBondContact N-OG 2.85Å; D285-S288 WeakPolarHBondContact O-CB 3.02Å; D285-S288 PolarHBondContact O-N 2.95Å; D285-S288 PolarHBondContact O-OG 2.93Å; D285-C308 VanDerWaalsContact O-CB 3.31Å; D285-C308 WeakPolarHBondContact O-CB 3.38Å
286F85.4Confident86.7Confident42 Ų4265.2 Ų65.218%0.18435%0.345CS..THydrogen-bonded Turntrans-54134.6176.4173.8-120.2000111.6D238 G239 F240 P265 I266 S288D238-F286 WeakPolarHBondContact O-CE1 3.33Å; G239-F286 WeakPolarHBondContact O-CB 3.48Å; F240-F286 HydrophobicContact CD2-CD1 4.44Å; F240-F286 HydrophobicContact CE2-CD1 4.01Å; F240-F286 HydrophobicContact CE2-CE1 4.38Å; P265-F286 HydrophobicContact CB-CB 4.49Å; I266-F286 PolarHBondContact O-N 3.41Å; F286-S288 PolarHBondContact O-N 2.82Å
287Q84.5Confident86.4Confident140 Ų14060.7 Ų60.765%0.65433%0.329SS*.THydrogen-bonded Turntrans66.32.1-171-51.8-177.2-3.900116.4D285 C308D285-Q287 PolarHBondContact O-N 2.03Å; Q287-C308 PolarHBondContact N-O 3.34Å
288S90.1Very high86.3Confident14 Ų1463.3 Ų63.310%0.09834%0.337CS..  trans-54.9146165.863.10000110.9S283 V284 D285 F286 I307 C308 W314S283-S288 PolarHBondContact O-OG 2.85Å; S283-S288 WeakPolarHBondContact OG-CB 3.49Å; V284-S288 VanDerWaalsContact C-OG 3.3Å; D285-S288 PolarHBondContact N-OG 2.85Å; D285-S288 WeakPolarHBondContact O-CB 3.02Å; D285-S288 PolarHBondContact O-N 2.95Å; D285-S288 PolarHBondContact O-OG 2.93Å; F286-S288 PolarHBondContact O-N 2.82Å; S288-I307 CarbonylContact O-C 3.58Å; S288-I307 VanDerWaalsContact O-CA 3.29Å; S288-I307 WeakPolarHBondContact O-CA 3.42Å; S288-C308 PolarHBondContact O-N 3.07Å; S288-C308 WeakPolarHBondContact OG-CB 3.45Å; S288-W314 WeakPolarHBondContact O-CZ3 2.99Å; S288-W314 VanDerWaalsContact OG-CH2 3.28Å; S288-W314 WeakPolarHBondContact OG-CH2 3.05Å
289K88.9Confident86.1Confident116 Ų11662.6 Ų62.650%0.50433%0.33SS..EExtended strand (participates in β ladder)trans-123.3124.9-176163.2-179.8155.31620108.6V291 Q305K289-V291 VanDerWaalsContact CE-CG2 3.45Å; K289-V291 HydrophobicContact CG-CG2 4.38Å; K289-Q305 HydrophobicContact CD-CG 4.01Å; K289-Q305 VanDerWaalsContact CE-CD 3.47Å; K289-Q305 HydrophobicContact CG-CG 3.79Å
290V90.2Very high85.9Confident0 Ų062.8 Ų62.80%033%0.328CS..EExtended strand (participates in β ladder)trans-110.3143.7166.4-63.70000111P271 V279 Q280 G281 Y292 Q305 R306 W314P271-V290 HydrophobicContact CB-CG2 4.43Å; P271-V290 HydrophobicContact CG-CB 4.4Å; P271-V290 HydrophobicContact CG-CG1 3.85Å; P271-V290 HydrophobicContact CG-CG2 4.08Å; V279-V290 HydrophobicContact CG2-CB 3.91Å; V279-V290 HydrophobicContact CG2-CG1 4.39Å; V279-V290 HydrophobicContact CG2-CG2 4.33Å; Q280-V290 WeakPolarHBondContact O-CA 3.47Å; G281-V290 WeakPolarHBondContact O-CG1 3.39Å; V290-Y292 HydrophobicContact CG2-CE2 3.76Å; V290-Q305 WeakPolarHBondContact O-CA 3.36Å; V290-R306 HydrophobicContact CG2-CB 4.16Å; V290-R306 PolarHBondContact N-O 2.98Å; V290-R306 PolarHBondContact O-N 3.31Å; V290-W314 HydrophobicContact CB-CH2 4.47Å; V290-W314 HydrophobicContact CB-CZ3 4.47Å; V290-W314 HydrophobicContact CG1-CH2 3.77Å; V290-W314 HydrophobicContact CG1-CZ2 4.29Å; V290-W314 HydrophobicContact CG1-CZ3 4.24Å; V290-W314 HydrophobicContact CG2-CD2 4.5Å; V290-W314 HydrophobicContact CG2-CE3 4.01Å; V290-W314 HydrophobicContact CG2-CH2 4.06Å; V290-W314 HydrophobicContact CG2-CZ3 3.77Å
291V90.5Very high85.7Confident34 Ų3459.3 Ų59.321%0.20632%0.315CS..EExtended strand (participates in β ladder)trans-118.7127.2178.2179.80000107.9Q280 K289 K304 Q305Q280-V291 HydrophobicContact CB-CB 4.48Å; Q280-V291 PolarHBondContact N-O 2.77Å; Q280-V291 PolarHBondContact O-N 2.84Å; K289-V291 VanDerWaalsContact CE-CG2 3.45Å; K289-V291 HydrophobicContact CG-CG2 4.38Å; V291-K304 WeakPolarHBondContact CA-O 3.46Å; V291-K304 HydrophobicContact CG1-CG 4.45Å; V291-Q305 HydrophobicContact CG2-CG 4.3Å
292Y90.5Very high85.9Confident1 Ų159.3 Ų59.30%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-92156.8175.7-65.6-103.8000110.1P271 K272 P274 Q278 V279 V290 M300 K304 R306 P319P271-Y292 WeakPolarHBondContact CB-OH 3.22Å; K272-Y292 WeakPolarHBondContact O-CE1 3.36Å; P274-Y292 HydrophobicContact CG-CD1 4.32Å; Q278-Y292 CarbonylContact O-C 3.57Å; Q278-Y292 WeakPolarHBondContact O-CA 3.41Å; V279-Y292 HydrophobicContact CB-CD1 4.17Å; V279-Y292 HydrophobicContact CB-CE1 4.2Å; V279-Y292 HydrophobicContact CG2-CD1 4.21Å; V279-Y292 HydrophobicContact CG2-CE1 4.03Å; V279-Y292 HydrophobicContact CG2-CE2 4.38Å; V279-Y292 HydrophobicContact CG2-CG 4.5Å; V290-Y292 HydrophobicContact CG2-CE2 3.76Å; Y292-M300 WeakPolarHBondContact O-CE 3.02Å; Y292-K304 PolarHBondContact N-O 3.31Å; Y292-R306 HydrophobicContact CE2-CB 4.43Å; Y292-R306 HydrophobicContact CE2-CG 3.97Å; Y292-P319 HydrophobicContact CD1-CG 3.61Å; Y292-P319 HydrophobicContact CD2-CG 3.49Å; Y292-P319 VanDerWaalsContact CD2-CG 3.49Å; Y292-P319 HydrophobicContact CE1-CG 3.92Å; Y292-P319 HydrophobicContact CE2-CG 3.84Å; Y292-P319 HydrophobicContact CG-CG 3.37Å
293S89.1Confident86.3Confident31 Ų3157 Ų5722%0.21729%0.294CS..EExtended strand (participates in β ladder)trans-140.5151.6172.8320000108.8G277 Q278 M300G277-S293 CarbonylContact C-O 3.53Å; G277-S293 WeakPolarHBondContact CA-O 3.18Å; Q278-S293 PolarHBondContact N-O 3.05Å; Q278-S293 PolarHBondContact O-N 2.75Å; Q278-S293 PolarHBondContact O-OG 3.14Å; S293-M300 VanDerWaalsContact CA-CE 3.45Å
294C89.1Confident86.4Confident35 Ų3560.7 Ų60.724%0.23630%0.304CS..EExtended strand (participates in β ladder)trans-111.3155.5170.8-63.20000109.3Y276 Y298 C321Y276-C294 WeakPolarHBondContact O-CA 3.41Å; C294-Y298 WeakPolarHBondContact CB-O 3.43Å; C294-C321 WeakPolarHBondContact CA-SG 3.45Å; C294-C321 HydrophobicContact CB-CB 3.77Å; C294-C321 WeakPolarHBondContact CB-SG 3.42Å; C294-C321 VanDerWaalsContact SG-CA 3.57Å; C294-C321 WeakPolarHBondContact SG-CB 3.18Å; C294-C321 CovalentContact SG-SG 2.04Å; C294-C321 PolarHBondContact SG-SG 2.97Å
295E86.9Confident86.5Confident85 Ų8563.7 Ų63.740%0.39732%0.316SS..  trans-71162.6173.9-71.3166.4-171.700111Y276 G297 Y298Y276-E295 WeakPolarHBondContact CA-OE2 3.47Å; Y276-E295 PolarHBondContact O-N 2.99Å; E295-G297 PolarHBondContact O-N 3.11Å; E295-Y298 HydrophobicContact CB-CD2 4.3Å; E295-Y298 PolarHBondContact O-N 2.9Å
296E81.1Confident86.7Confident165 Ų16561.7 Ų61.777%0.77130%0.304SS*.THydrogen-bonded Turntrans-64.5134.7-178.1-173.7154.6-145.100110.8F344E296-F344 HydrophobicContact CG-CE1 3.76Å; E296-F344 HydrophobicContact CG-CZ 3.91Å
297G79.7Confident86.9Confident8 Ų862.9 Ų62.98%0.08231%0.312CS..THydrogen-bonded Turntrans90.9-7.6-169.100000115.7E295 V324 F344E295-G297 PolarHBondContact O-N 3.11Å; G297-V324 WeakPolarHBondContact O-CB 3.28Å; G297-V324 WeakPolarHBondContact O-CG2 3.02Å; G297-V324 PolarHBondContact O-N 2.9Å; G297-F344 VanDerWaalsContact CA-CG 3.44Å
298Y86Confident87.2Confident63 Ų6356.3 Ų56.325%0.24728%0.281CS..EExtended strand (participates in β ladder)trans-116.3134.5177.3-61-90.9000112.6Y276 C294 E295 E322 E323Y276-Y298 AromaticContact CD1-CE2 3.96Å; Y276-Y298 HydrophobicContact CD1-CE2 3.96Å; Y276-Y298 AromaticContact CD1-CZ 3.89Å; Y276-Y298 AromaticContact CD2-CD1 3.89Å; Y276-Y298 HydrophobicContact CD2-CD1 3.89Å; Y276-Y298 AromaticContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE1 3.34Å; Y276-Y298 HydrophobicContact CD2-CE2 4.2Å; Y276-Y298 AromaticContact CD2-CZ 3.52Å; Y276-Y298 AromaticContact CE2-CE1 3.88Å; Y276-Y298 HydrophobicContact CE2-CE1 3.88Å; Y276-Y298 AromaticContact CE2-CZ 3.93Å; Y276-Y298 HydrophobicContact CG-CD1 4.1Å; Y276-Y298 HydrophobicContact CG-CD2 4.12Å; Y276-Y298 AromaticContact CG-CE1 3.71Å; Y276-Y298 HydrophobicContact CG-CE1 3.71Å; Y276-Y298 AromaticContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CE2 3.7Å; Y276-Y298 HydrophobicContact CG-CG 4.31Å; Y276-Y298 AromaticContact CG-CZ 3.49Å; Y276-Y298 VanDerWaalsContact CG-CZ 3.49Å; C294-Y298 WeakPolarHBondContact CB-O 3.43Å; E295-Y298 HydrophobicContact CB-CD2 4.3Å; E295-Y298 PolarHBondContact O-N 2.9Å; Y298-E322 CarbonylContact C-O 3.54Å; Y298-E322 WeakPolarHBondContact CA-O 3.22Å; Y298-E323 HydrophobicContact CD1-CB 4.16Å; Y298-E323 HydrophobicContact CE1-CB 3.96Å; Y298-E323 HydrophobicContact CE1-CG 4.22Å
299R83.9Confident87.1Confident98 Ų9859.5 Ų59.537%0.3729%0.294SS..EExtended strand (participates in β ladder)trans-99.3151.8173.762.8176.7-172.4-143.3-4.3111.3C321 E322 V324R299-C321 CarbonylContact O-C 3.44Å; R299-C321 WeakPolarHBondContact O-CA 3.49Å; R299-E322 HydrophobicContact CG-CB 4.3Å; R299-E322 IonicContact CZ-OE2 3.16Å; R299-E322 PolarHBondContact N-O 2.88Å; R299-E322 IonicContact NE-OE2 2.69Å; R299-E322 PolarHBondContact NE-OE2 3.49Å; R299-E322 IonicContact NH2-OE1 3.82Å; R299-E322 IonicContact NH2-OE2 3.04Å; R299-E322 PolarHBondContact NH2-OE2 2.95Å; R299-E322 PolarHBondContact O-N 2.88Å; R299-V324 HydrophobicContact CB-CG2 3.68Å; R299-V324 HydrophobicContact CG-CG2 3.95Å
300M86.1Confident86.9Confident51 Ų5156.7 Ų56.725%0.25129%0.289SS..EExtended strand (participates in β ladder)trans-89122.7-179.9-163.2169.1-73.100112Y292 S293 K304 P319Y292-M300 WeakPolarHBondContact O-CE 3.02Å; S293-M300 VanDerWaalsContact CA-CE 3.45Å; M300-K304 WeakPolarHBondContact SD-CA 3.34Å; M300-K304 HydrophobicContact SD-CB 3.56Å; M300-K304 VanDerWaalsContact SD-CB 3.56Å; M300-K304 HydrophobicContact SD-CD 4.43Å; M300-K304 HydrophobicContact SD-CG 3.76Å; M300-P319 HydrophobicContact CG-CB 3.82Å; M300-P319 HydrophobicContact SD-CB 4.09Å
301V83.5Confident86.7Confident43 Ų4361.7 Ų61.726%0.26132%0.316SS..EExtended strand (participates in β ladder)trans-110.5117.8172-174.10000108.6P319 Y320 E322V301-P319 VanDerWaalsContact O-CA 3.27Å; V301-P319 WeakPolarHBondContact O-CA 3.01Å; V301-Y320 HydrophobicContact CB-CD1 4.33Å; V301-Y320 HydrophobicContact CB-CD2 4.28Å; V301-Y320 HydrophobicContact CB-CE1 3.87Å; V301-Y320 HydrophobicContact CB-CE2 3.81Å; V301-Y320 HydrophobicContact CG1-CE1 3.81Å; V301-Y320 HydrophobicContact CG1-CE2 4.28Å; V301-Y320 WeakPolarHBondContact CG1-OH 3.47Å; V301-Y320 HydrophobicContact CG2-CE2 4.13Å; V301-Y320 PolarHBondContact N-O 2.89Å; V301-Y320 PolarHBondContact O-N 3.2Å; V301-E322 HydrophobicContact CG2-CB 3.8Å; V301-E322 WeakPolarHBondContact CG2-OE2 3.29Å
302G82.4Confident86.6Confident42 Ų4266.7 Ų66.743%0.43333%0.331SS..SBendtrans120.3-157.4-173.200000112.1
303Q85Confident86.5Confident88 Ų8868.8 Ų68.841%0.41135%0.346SS..  trans-98.1110.8-175.5-69-179.8-27.100112.2Q305 S315 G316 M317 P319Q303-Q305 PolarHBondContact O-N 2.99Å; Q303-S315 PolarHBondContact OE1-O 2.04Å; Q303-G316 VanDerWaalsContact OE1-CA 3.22Å; Q303-M317 PolarHBondContact N-O 3.33Å; Q303-P319 WeakPolarHBondContact O-CG 3.49Å
304K86.6Confident86.5Confident135 Ų13568.2 Ų68.259%0.58734%0.339SS*.SBendtrans-55.6-23.2179.2-178.9168.3-178.6173.90114.9V291 Y292 M300V291-K304 WeakPolarHBondContact CA-O 3.46Å; V291-K304 HydrophobicContact CG1-CG 4.45Å; Y292-K304 PolarHBondContact N-O 3.31Å; M300-K304 WeakPolarHBondContact SD-CA 3.34Å; M300-K304 HydrophobicContact SD-CB 3.56Å; M300-K304 VanDerWaalsContact SD-CB 3.56Å; M300-K304 HydrophobicContact SD-CD 4.43Å; M300-K304 HydrophobicContact SD-CG 3.76Å
305Q90.2Very high86.5Confident82 Ų8267.7 Ų67.738%0.38334%0.336SS..EExtended strand (participates in β ladder)trans-131.1131.3177.4-175-170.5-69.200108.9K289 V290 V291 Q303K289-Q305 HydrophobicContact CD-CG 4.01Å; K289-Q305 VanDerWaalsContact CE-CD 3.47Å; K289-Q305 HydrophobicContact CG-CG 3.79Å; V290-Q305 WeakPolarHBondContact O-CA 3.36Å; V291-Q305 HydrophobicContact CG2-CG 4.3Å; Q303-Q305 PolarHBondContact O-N 2.99Å
306R90.2Very high86.3Confident23 Ų2365.8 Ų65.89%0.08734%0.339CS..EExtended strand (participates in β ladder)trans-121.2148.2172.4-57.1177.983-1715.8109.7V290 Y292 W314 S315 G316 E318V290-R306 HydrophobicContact CG2-CB 4.16Å; V290-R306 PolarHBondContact N-O 2.98Å; V290-R306 PolarHBondContact O-N 3.31Å; Y292-R306 HydrophobicContact CE2-CB 4.43Å; Y292-R306 HydrophobicContact CE2-CG 3.97Å; R306-W314 HydrophobicContact CB-CB 4.25Å; R306-W314 HydrophobicContact CB-CD2 4.5Å; R306-W314 HydrophobicContact CB-CE3 3.87Å; R306-W314 PolarHBondContact NH2-O 2.95Å; R306-S315 WeakPolarHBondContact CA-OG 3.24Å; R306-S315 PolarHBondContact NE-O 3.5Å; R306-G316 PolarHBondContact NH2-O 2.75Å; R306-E318 IonicContact NH1-OE1 3.29Å; R306-E318 PolarHBondContact NH1-OE1 2.83Å
307I91.3Very high86.4Confident67 Ų6764.8 Ų64.834%0.34434%0.336SS..EExtended strand (participates in β ladder)trans-124.1136.1-178.1-56.9172.7000108.6S288 Q309 S315S288-I307 CarbonylContact O-C 3.58Å; S288-I307 VanDerWaalsContact O-CA 3.29Å; S288-I307 WeakPolarHBondContact O-CA 3.42Å; I307-Q309 PolarHBondContact O-N 3.31Å; I307-S315 PolarHBondContact N-OG 2.92Å; I307-S315 PolarHBondContact O-N 3.34Å
308C90.3Very high86.5Confident1 Ų169.6 Ų69.61%0.00736%0.356CS..BIsolated β-bridgetrans-71.5119176.8178.20000110.5C268 V284 D285 Q287 S288 W314C268-C308 HydrophobicContact CB-CB 3.87Å; C268-C308 WeakPolarHBondContact CB-SG 3.45Å; C268-C308 WeakPolarHBondContact SG-CA 3.34Å; C268-C308 WeakPolarHBondContact SG-CB 3.27Å; C268-C308 CovalentContact SG-SG 2.04Å; C268-C308 PolarHBondContact SG-SG 3.02Å; V284-C308 PolarHBondContact O-SG 3.46Å; V284-C308 VanDerWaalsContact O-SG 3.33Å; D285-C308 VanDerWaalsContact O-CB 3.31Å; D285-C308 WeakPolarHBondContact O-CB 3.38Å; Q287-C308 PolarHBondContact N-O 3.34Å; S288-C308 PolarHBondContact O-N 3.07Å; S288-C308 WeakPolarHBondContact OG-CB 3.45Å; C308-W314 HydrophobicContact CB-CE3 4.27Å; C308-W314 HydrophobicContact CB-CH2 4.05Å; C308-W314 HydrophobicContact CB-CZ2 4.43Å; C308-W314 HydrophobicContact CB-CZ3 3.97Å; C308-W314 VanDerWaalsContact N-CZ3 3.28Å
309Q87.6Confident86.5Confident82 Ų8266.8 Ų66.838%0.38335%0.346SS..  trans-94.4163.8-174.3-55.3-159.2-105.100112.3I307 D311 R312 S313 S315I307-Q309 PolarHBondContact O-N 3.31Å; Q309-D311 WeakPolarHBondContact CB-OD1 3.4Å; Q309-D311 PolarHBondContact O-N 3.27Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; Q309-R312 PolarHBondContact O-N 2.03Å; Q309-R312 VanDerWaalsContact O-N 3.14Å; Q309-S313 WeakPolarHBondContact CB-O 3.46Å; Q309-S313 PolarHBondContact N-O 3.43Å; Q309-S315 VanDerWaalsContact OE1-CA 3.26Å
310S85.6Confident86.7Confident57 Ų5768.1 Ų68.140%0.39935%0.352SS..THydrogen-bonded Turntrans-70-3.8-176.748.20000114.7I266I266-S310 VanDerWaalsContact CD1-O 3.26Å; I266-S310 WeakPolarHBondContact CD1-O 3.17Å
311D85.3Confident86.9Confident105 Ų10566.5 Ų66.556%0.56135%0.345SS*.THydrogen-bonded Turntrans-999.517462.97.2000113.5Q309 S313Q309-D311 WeakPolarHBondContact CB-OD1 3.4Å; Q309-D311 PolarHBondContact O-N 3.27Å; Q309-D311 VanDerWaalsContact O-N 3.1Å; D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 VanDerWaalsContact OD1-CB 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.46Å; D311-S313 PolarHBondContact OD1-N 2.82Å; D311-S313 PolarHBondContact OD1-OG 3.11Å; D311-S313 PolarHBondContact OD2-OG 3.13Å
312R87.7Confident86.9Confident139 Ų13967.8 Ų67.853%0.52535%0.348SS..SBendtrans71.310.7-174.1-31.1-155170.3-170.1-5.4115.3I266 C268 P269 Q309I266-R312 HydrophobicContact CG2-CB 3.96Å; I266-R312 HydrophobicContact CG2-CG 3.59Å; C268-R312 VanDerWaalsContact SG-C 3.58Å; P269-R312 WeakPolarHBondContact CD-O 3.3Å; Q309-R312 PolarHBondContact O-N 2.03Å; Q309-R312 VanDerWaalsContact O-N 3.14Å
313S89.7Confident86.8Confident45 Ų4570.1 Ų70.132%0.31535%0.348SS..PPolyproline II helixtrans-97.9154.6176.678.10000113.2C268 Q309 D311C268-S313 PolarHBondContact SG-O 2.72Å; Q309-S313 WeakPolarHBondContact CB-O 3.46Å; Q309-S313 PolarHBondContact N-O 3.43Å; D311-S313 VanDerWaalsContact C-N 3.29Å; D311-S313 VanDerWaalsContact OD1-CB 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.46Å; D311-S313 PolarHBondContact OD1-N 2.82Å; D311-S313 PolarHBondContact OD1-OG 3.11Å; D311-S313 PolarHBondContact OD2-OG 3.13Å
314W88.8Confident86.6Confident19 Ų1966 Ų667%0.07233%0.329CS..BIsolated β-bridgetrans-84.7128.7166.6-78105.8000110C268 P269 P271 V284 S288 V290 R306 C308 G316C268-W314 HydrophobicContact CB-CD2 4.43Å; C268-W314 HydrophobicContact CB-CZ2 4.15Å; P269-W314 PolarHBondContact O-NE1 2.88Å; P271-W314 HydrophobicContact CG-CZ2 4.02Å; V284-W314 HydrophobicContact CG1-CZ2 4.46Å; S288-W314 WeakPolarHBondContact O-CZ3 2.99Å; S288-W314 VanDerWaalsContact OG-CH2 3.28Å; S288-W314 WeakPolarHBondContact OG-CH2 3.05Å; V290-W314 HydrophobicContact CB-CH2 4.47Å; V290-W314 HydrophobicContact CB-CZ3 4.47Å; V290-W314 HydrophobicContact CG1-CH2 3.77Å; V290-W314 HydrophobicContact CG1-CZ2 4.29Å; V290-W314 HydrophobicContact CG1-CZ3 4.24Å; V290-W314 HydrophobicContact CG2-CD2 4.5Å; V290-W314 HydrophobicContact CG2-CE3 4.01Å; V290-W314 HydrophobicContact CG2-CH2 4.06Å; V290-W314 HydrophobicContact CG2-CZ3 3.77Å; R306-W314 HydrophobicContact CB-CB 4.25Å; R306-W314 HydrophobicContact CB-CD2 4.5Å; R306-W314 HydrophobicContact CB-CE3 3.87Å; R306-W314 PolarHBondContact NH2-O 2.95Å; C308-W314 HydrophobicContact CB-CE3 4.27Å; C308-W314 HydrophobicContact CB-CH2 4.05Å; C308-W314 HydrophobicContact CB-CZ2 4.43Å; C308-W314 HydrophobicContact CB-CZ3 3.97Å; C308-W314 VanDerWaalsContact N-CZ3 3.28Å; W314-G316 PolarHBondContact O-N 2.74Å
315S89.1Confident86.3Confident23 Ų2362.4 Ų62.416%0.16132%0.32CS..SBendtrans-50.9124.5-173.768.20000113.7Q303 R306 I307 Q309Q303-S315 PolarHBondContact OE1-O 2.04Å; R306-S315 WeakPolarHBondContact CA-OG 3.24Å; R306-S315 PolarHBondContact NE-O 3.5Å; I307-S315 PolarHBondContact N-OG 2.92Å; I307-S315 PolarHBondContact O-N 3.34Å; Q309-S315 VanDerWaalsContact OE1-CA 3.26Å
316G82.1Confident86.1Confident45 Ų4558.7 Ų58.746%0.46430%0.304SS..SBendtrans56.9-154.6171.200000115.5Q303 R306 W314Q303-G316 VanDerWaalsContact OE1-CA 3.22Å; R306-G316 PolarHBondContact NH2-O 2.75Å; W314-G316 PolarHBondContact O-N 2.74Å
317M82.5Confident85.7Confident145 Ų14561.8 Ų61.871%0.71433%0.327SS*.PPolyproline II helixtrans-76.4129.1-165.9-66.5179.769.900112.5Q303Q303-M317 PolarHBondContact N-O 3.33Å
318E83.2Confident85.3Confident109 Ų10964.3 Ų64.351%0.50935%0.345SS..PPolyproline II helixtrans-60125.1172.6-171.7150.4-133.200110.7R306R306-E318 IonicContact NH1-OE1 3.29Å; R306-E318 PolarHBondContact NH1-OE1 2.83Å
319P84.8Confident84.7Confident4 Ų466.4 Ų66.43%0.02636%0.356CS..PPolyproline II helixtrans-78.8143179.132.1-35.4000111.6Y292 M300 V301 Q303Y292-P319 HydrophobicContact CD1-CG 3.61Å; Y292-P319 HydrophobicContact CD2-CG 3.49Å; Y292-P319 VanDerWaalsContact CD2-CG 3.49Å; Y292-P319 HydrophobicContact CE1-CG 3.92Å; Y292-P319 HydrophobicContact CE2-CG 3.84Å; Y292-P319 HydrophobicContact CG-CG 3.37Å; M300-P319 HydrophobicContact CG-CB 3.82Å; M300-P319 HydrophobicContact SD-CB 4.09Å; V301-P319 VanDerWaalsContact O-CA 3.27Å; V301-P319 WeakPolarHBondContact O-CA 3.01Å; Q303-P319 WeakPolarHBondContact O-CG 3.49Å
320Y89.5Confident84.3Confident126 Ų12664.5 Ų64.549%0.49436%0.358SS..EExtended strand (participates in β ladder)trans-120.5161.3165.561.7-85.4000110.2V301 E322V301-Y320 HydrophobicContact CB-CD1 4.33Å; V301-Y320 HydrophobicContact CB-CD2 4.28Å; V301-Y320 HydrophobicContact CB-CE1 3.87Å; V301-Y320 HydrophobicContact CB-CE2 3.81Å; V301-Y320 HydrophobicContact CG1-CE1 3.81Å; V301-Y320 HydrophobicContact CG1-CE2 4.28Å; V301-Y320 WeakPolarHBondContact CG1-OH 3.47Å; V301-Y320 HydrophobicContact CG2-CE2 4.13Å; V301-Y320 PolarHBondContact N-O 2.89Å; V301-Y320 PolarHBondContact O-N 3.2Å; Y320-E322 HydrophobicContact CD2-CB 4.36Å; Y320-E322 HydrophobicContact CE2-CB 4.12Å
321C88.4Confident84.1Confident16 Ų1666.8 Ų66.811%0.10837%0.37CS..EExtended strand (participates in β ladder)trans-100.5120.4175.4-61.20000108.6L275 Y276 C294 R299L275-C321 WeakPolarHBondContact O-CB 3.35Å; Y276-C321 PolarHBondContact O-SG 2.84Å; C294-C321 WeakPolarHBondContact CA-SG 3.45Å; C294-C321 HydrophobicContact CB-CB 3.77Å; C294-C321 WeakPolarHBondContact CB-SG 3.42Å; C294-C321 VanDerWaalsContact SG-CA 3.57Å; C294-C321 WeakPolarHBondContact SG-CB 3.18Å; C294-C321 CovalentContact SG-SG 2.04Å; C294-C321 PolarHBondContact SG-SG 2.97Å; R299-C321 CarbonylContact O-C 3.44Å; R299-C321 WeakPolarHBondContact O-CA 3.49Å
322E84Confident84Confident70 Ų7062.2 Ų62.233%0.32735%0.345SS..EExtended strand (participates in β ladder)trans-106.7139.9179.7-175.1-172.9-134.500108Y298 R299 V301 Y320 V324Y298-E322 CarbonylContact C-O 3.54Å; Y298-E322 WeakPolarHBondContact CA-O 3.22Å; R299-E322 HydrophobicContact CG-CB 4.3Å; R299-E322 IonicContact CZ-OE2 3.16Å; R299-E322 PolarHBondContact N-O 2.88Å; R299-E322 IonicContact NE-OE2 2.69Å; R299-E322 PolarHBondContact NE-OE2 3.49Å; R299-E322 IonicContact NH2-OE1 3.82Å; R299-E322 IonicContact NH2-OE2 3.04Å; R299-E322 PolarHBondContact NH2-OE2 2.95Å; R299-E322 PolarHBondContact O-N 2.88Å; V301-E322 HydrophobicContact CG2-CB 3.8Å; V301-E322 WeakPolarHBondContact CG2-OE2 3.29Å; Y320-E322 HydrophobicContact CD2-CB 4.36Å; Y320-E322 HydrophobicContact CE2-CB 4.12Å; E322-V324 PolarHBondContact O-N 2.81Å
323E81.7Confident83.6Confident92 Ų9265.3 Ų65.343%0.4336%0.357SS..EExtended strand (participates in β ladder)trans-61138.6177.7-165.7-175.7145.800110.7Y298 S325 S343Y298-E323 HydrophobicContact CD1-CB 4.16Å; Y298-E323 HydrophobicContact CE1-CB 3.96Å; Y298-E323 HydrophobicContact CE1-CG 4.22Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 2.71Å; E323-S343 VanDerWaalsContact OE1-CB 3.22Å; E323-S343 WeakPolarHBondContact OE1-CB 3.23Å
324V79.6Confident83.1Confident2 Ų266.2 Ų66.21%0.01236%0.358CS..  trans-78.382.3177.6-179.30000109.6G297 R299 E322 S343 F344 Q367 G370G297-V324 WeakPolarHBondContact O-CB 3.28Å; G297-V324 WeakPolarHBondContact O-CG2 3.02Å; G297-V324 PolarHBondContact O-N 2.9Å; R299-V324 HydrophobicContact CB-CG2 3.68Å; R299-V324 HydrophobicContact CG-CG2 3.95Å; E322-V324 PolarHBondContact O-N 2.81Å; V324-S343 CarbonylContact O-C 3.51Å; V324-F344 HydrophobicContact CB-CB 4.22Å; V324-F344 PolarHBondContact O-N 3.48Å; V324-F344 VanDerWaalsContact O-N 3.07Å; V324-Q367 WeakPolarHBondContact CG1-O 3.46Å; V324-G370 VanDerWaalsContact CG1-CA 3.49Å; V324-G370 VanDerWaalsContact CG1-N 3.33Å
325S81.1Confident82.9Confident58 Ų5866.3 Ų66.341%0.40637%0.365SS..PPolyproline II helixtrans-81.4123.3164.6-44.40000110.3E323 T342E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 2.71Å; S325-T342 CarbonylContact C-O 3.46Å; S325-T342 VanDerWaalsContact CA-O 3.31Å; S325-T342 WeakPolarHBondContact CA-O 3.34Å
326C84.7Confident82.8Confident5 Ų570.6 Ų70.63%0.03438%0.381CS..PPolyproline II helixtrans-74.6151.6167.7-70.70000110.9T342 C366 S371 W372C326-T342 PolarHBondContact N-O 3.25Å; C326-T342 WeakPolarHBondContact O-CB 3.26Å; C326-C366 HydrophobicContact CB-CB 3.85Å; C326-C366 WeakPolarHBondContact CB-SG 3.06Å; C326-C366 WeakPolarHBondContact SG-CA 3.13Å; C326-C366 WeakPolarHBondContact SG-CB 3.38Å; C326-C366 CovalentContact SG-SG 2.03Å; C326-C366 PolarHBondContact SG-SG 2.86Å; C326-S371 PolarHBondContact SG-O 3.5Å; C326-W372 HydrophobicContact CB-CD2 4.2Å; C326-W372 HydrophobicContact CB-CG 4.37Å; C326-W372 HydrophobicContact CB-CZ2 4.03Å
327P82.9Confident83Confident88 Ų8870.8 Ų70.857%0.57137%0.371SS*.PPolyproline II helixtrans-64.6139.1176.627.5-34.4000110.6L329 G370 W372P327-L329 PolarHBondContact O-N 2.9Å; P327-G370 VanDerWaalsContact CD-O 3.23Å; P327-G370 WeakPolarHBondContact CD-O 3.13Å; P327-W372 PolarHBondContact O-NE1 2.86Å
328T82.4Confident83.2Confident119 Ų11967.2 Ų67.273%0.7336%0.355SS*.PPolyproline II helixtrans-52.9127.6174.9500000110.6T342T328-T342 HydrophobicContact CG2-CG2 4Å
329L78.4Confident83.1Confident45 Ų4563.9 Ų63.924%0.23635%0.35CS..PPolyproline II helixtrans-68.4138178.7-69.4164000110.2P327 I337 V348 F350 W372 L376P327-L329 PolarHBondContact O-N 2.9Å; L329-I337 HydrophobicContact CB-CD1 3.99Å; L329-V348 HydrophobicContact CD1-CG1 4.4Å; L329-V348 HydrophobicContact CD1-CG2 3.51Å; L329-F350 HydrophobicContact CD1-CE1 4.05Å; L329-F350 HydrophobicContact CD1-CZ 4.1Å; L329-W372 HydrophobicContact CD1-CD2 3.84Å; L329-W372 HydrophobicContact CD1-CE3 4.23Å; L329-W372 HydrophobicContact CD1-CG 4.22Å; L329-W372 HydrophobicContact CD1-CH2 4.45Å; L329-W372 HydrophobicContact CD1-CZ2 4.07Å; L329-W372 HydrophobicContact CD2-CB 4.42Å; L329-W372 HydrophobicContact CD2-CD2 4.34Å; L329-W372 HydrophobicContact CD2-CG 3.87Å; L329-W372 HydrophobicContact CG-CD2 4.17Å; L329-W372 HydrophobicContact CG-CG 4.2Å; L329-W372 HydrophobicContact CG-CZ2 4.33Å; L329-L376 HydrophobicContact CB-CD2 4.29Å; L329-L376 HydrophobicContact CD2-CD2 4.47Å; L329-L376 HydrophobicContact CD2-CG 4.2Å
330G79.4Confident82.8Confident42 Ų4270.7 Ų70.743%0.43339%0.386SS..PPolyproline II helixtrans-71.3173.5176.700000112.7L332 I337G330-L332 PolarHBondContact O-N 2.76Å; G330-I337 WeakPolarHBondContact O-CD1 3.41Å
331V80.9Confident82.5Confident106 Ų10670.9 Ų70.964%0.64239%0.392SS*.PPolyproline II helixtrans-57.1123179.5-176.70000111.2W333V331-W333 PolarHBondContact O-N 3.2Å; V331-W333 VanDerWaalsContact O-N 3.14Å
332L83.5Confident82.3Confident8 Ų872.2 Ų72.24%0.04240%0.399CS..  trans-74.296.7168.7179.759.8000109.3G330 N334 G335 F336 I337 F350 L376 P377G330-L332 PolarHBondContact O-N 2.76Å; L332-N334 PolarHBondContact O-N 3.49Å; L332-G335 CarbonylContact O-C 3.47Å; L332-G335 PolarHBondContact O-N 2.84Å; L332-G335 VanDerWaalsContact O-N 3.1Å; L332-F336 WeakPolarHBondContact CD2-O 3.01Å; L332-I337 HydrophobicContact CB-CD1 4.21Å; L332-I337 HydrophobicContact CB-CG1 3.79Å; L332-I337 HydrophobicContact CD2-CG1 4.43Å; L332-F350 HydrophobicContact CD2-CB 3.98Å; L332-F350 HydrophobicContact CD2-CD1 4.26Å; L332-L376 HydrophobicContact CB-CD2 4.43Å; L332-P377 HydrophobicContact CD1-CG 4.2Å; L332-P377 WeakPolarHBondContact CD1-O 3.42Å
333W78.4Confident82.2Confident205 Ų20570.6 Ų70.678%0.77740%0.396SS*.THydrogen-bonded Turntrans-59134.6175.6-60.898.1000110.7V331 G335 C379V331-W333 PolarHBondContact O-N 3.2Å; V331-W333 VanDerWaalsContact O-N 3.14Å; W333-G335 VanDerWaalsContact C-N 3.25Å; W333-G335 PolarHBondContact O-N 3.19Å; W333-C379 WeakPolarHBondContact O-CB 3.28Å
334N79.8Confident82.3Confident63 Ų6369.5 Ų69.534%0.33739%0.39SS..THydrogen-bonded Turntrans60.525.6-173.6-54.2-22.7000115.1L332 L353 M356 C379L332-N334 PolarHBondContact O-N 3.49Å; N334-L353 WeakPolarHBondContact O-CG 3.37Å; N334-L353 PolarHBondContact O-N 2.82Å; N334-M356 HydrophobicContact CB-CE 4.42Å; N334-M356 HydrophobicContact CB-SD 3.64Å; N334-C379 HydrophobicContact CB-CB 3.76Å; N334-C379 WeakPolarHBondContact CB-O 3.35Å; N334-C379 PolarHBondContact ND2-O 2.95Å; N334-C379 VanDerWaalsContact ND2-O 3.08Å; N334-C379 VanDerWaalsContact O-CB 3.29Å; N334-C379 WeakPolarHBondContact O-CB 3.44Å
335G83.6Confident82.5Confident21 Ų2170.5 Ų70.522%0.21640%0.4CS..EExtended strand (participates in β ladder)trans-159.9-166.417500000112.8L332 W333 R351L332-G335 CarbonylContact O-C 3.47Å; L332-G335 PolarHBondContact O-N 2.84Å; L332-G335 VanDerWaalsContact O-N 3.1Å; W333-G335 VanDerWaalsContact C-N 3.25Å; W333-G335 PolarHBondContact O-N 3.19Å; G335-R351 CarbonylContact C-O 3.48Å; G335-R351 WeakPolarHBondContact CA-O 3.04Å
336F87Confident82.8Confident113 Ų11368 Ų6850%0.49638%0.383SS..EExtended strand (participates in β ladder)trans-140.9153.8173.159.3-74.2000110.4L332 R351L332-F336 WeakPolarHBondContact CD2-O 3.01Å; F336-R351 HydrophobicContact CD1-CB 3.92Å; F336-R351 HydrophobicContact CD2-CB 4.24Å; F336-R351 HydrophobicContact CE1-CB 3.61Å; F336-R351 HydrophobicContact CE2-CB 3.98Å; F336-R351 HydrophobicContact CE2-CG 4.27Å; F336-R351 HydrophobicContact CG-CB 4.22Å; F336-R351 HydrophobicContact CZ-CB 3.65Å; F336-R351 VanDerWaalsContact CZ-CD 3.48Å; F336-R351 HydrophobicContact CZ-CG 4.22Å; F336-R351 PolarHBondContact N-O 2.77Å; F336-R351 PolarHBondContact O-N 3.23Å
337I87.9Confident82.9Confident50 Ų5071.6 Ų71.626%0.25640%0.4SS..EExtended strand (participates in β ladder)trans-104.6130.5178.9-50.9-178.9000107L329 G330 L332 V348 F350 L376L329-I337 HydrophobicContact CB-CD1 3.99Å; G330-I337 WeakPolarHBondContact O-CD1 3.41Å; L332-I337 HydrophobicContact CB-CD1 4.21Å; L332-I337 HydrophobicContact CB-CG1 3.79Å; L332-I337 HydrophobicContact CD2-CG1 4.43Å; I337-V348 HydrophobicContact CG2-CB 3.73Å; I337-V348 HydrophobicContact CG2-CG1 4.06Å; I337-V348 HydrophobicContact CG2-CG2 4.13Å; I337-F350 HydrophobicContact CD1-CE1 4.34Å; I337-F350 HydrophobicContact CG1-CD1 4.16Å; I337-F350 HydrophobicContact CG1-CE1 4.38Å; I337-F350 HydrophobicContact CG2-CD1 4.25Å; I337-F350 HydrophobicContact CG2-CE1 4.21Å; I337-L376 HydrophobicContact CD1-CD2 3.72Å
338D86.5Confident83.1Confident69 Ų6967.6 Ų67.637%0.36937%0.374SS..EExtended strand (participates in β ladder)trans-107.9111.1-178.5-169.712.4000107.7V348 I349 R351D338-V348 WeakPolarHBondContact O-CA 3.45Å; D338-I349 HydrophobicContact CB-CB 4.22Å; D338-I349 PolarHBondContact N-O 3.06Å; D338-I349 PolarHBondContact O-N 3.09Å; D338-R351 IonicContact OD2-CZ 3.7Å; D338-R351 IonicContact OD2-NE 2.71Å; D338-R351 PolarHBondContact OD2-NE 2.77Å; D338-R351 IonicContact OD2-NH2 3.21Å; D338-R351 PolarHBondContact OD2-NH2 2.93Å
339G80.9Confident83.4Confident39 Ų3965.3 Ų65.340%0.40236%0.357SS..  trans104.8134.6-165.900000113.6V348G339-V348 WeakPolarHBondContact O-CG1 3.5Å
340D78.4Confident84Confident148 Ų14863.7 Ų63.779%0.79135%0.348SS*.  trans-122.2-13-178.665.5-30.4000114.3
341E83.7Confident84.3Confident130 Ų13067 Ų6761%0.60735%0.347SS*.  trans-58.2143174.4-67-173.4169.300112.7A346E341-A346 HydrophobicContact CB-CB 3.8Å
342T83.9Confident84.5Confident43 Ų4363.2 Ų63.226%0.26433%0.326SS..  trans-126.50.1-17651.90000114.1S325 C326 T328 W372S325-T342 CarbonylContact C-O 3.46Å; S325-T342 VanDerWaalsContact CA-O 3.31Å; S325-T342 WeakPolarHBondContact CA-O 3.34Å; C326-T342 PolarHBondContact N-O 3.25Å; C326-T342 WeakPolarHBondContact O-CB 3.26Å; T328-T342 HydrophobicContact CG2-CG2 4Å; T342-W372 HydrophobicContact CG2-CZ2 4.4Å
343S82.2Confident84.5Confident37 Ų3767.1 Ų67.126%0.25935%0.346SS..SBendtrans-67.6166.7178.249.30000112.2E323 V324 G345 A346 C366E323-S343 VanDerWaalsContact OE1-CB 3.22Å; E323-S343 WeakPolarHBondContact OE1-CB 3.23Å; V324-S343 CarbonylContact O-C 3.51Å; S343-G345 PolarHBondContact O-N 3.04Å; S343-A346 WeakPolarHBondContact O-CB 3.48Å; S343-A346 PolarHBondContact O-N 2.73Å; S343-A346 VanDerWaalsContact O-N 3.1Å; S343-C366 VanDerWaalsContact O-CB 3.27Å; S343-C366 WeakPolarHBondContact O-CB 3.25Å; S343-C366 PolarHBondContact O-SG 3.25Å
344F82.6Confident84.5Confident69 Ų6965.2 Ų65.230%0.30335%0.351SS..THydrogen-bonded Turntrans-57.1131.7178.5172.7-108.8000111.6E296 G297 V324 A346 K368E296-F344 HydrophobicContact CG-CE1 3.76Å; E296-F344 HydrophobicContact CG-CZ 3.91Å; G297-F344 VanDerWaalsContact CA-CG 3.44Å; V324-F344 HydrophobicContact CB-CB 4.22Å; V324-F344 PolarHBondContact O-N 3.48Å; V324-F344 VanDerWaalsContact O-N 3.07Å; F344-A346 PolarHBondContact O-N 3.23Å; F344-K368 HydrophobicContact CD2-CB 4.49Å; F344-K368 HydrophobicContact CE2-CB 3.81Å
345G84.2Confident84.1Confident22 Ų2265.4 Ų65.423%0.22737%0.367CS..THydrogen-bonded Turntrans80.7-11.218000000114.9S343 R365 C366S343-G345 PolarHBondContact O-N 3.04Å; G345-R365 WeakPolarHBondContact O-CG 3.32Å; G345-R365 PolarHBondContact O-NH1 3.4Å; G345-C366 PolarHBondContact N-O 2.97Å; G345-C366 VanDerWaalsContact N-O 3.09Å
346A86.9Confident83.9Confident7 Ų766.9 Ų66.96%0.05837%0.37CS..  trans-53.2145.6171.800000111.1E341 S343 F344 R365 C366E341-A346 HydrophobicContact CB-CB 3.8Å; S343-A346 WeakPolarHBondContact O-CB 3.48Å; S343-A346 PolarHBondContact O-N 2.73Å; S343-A346 VanDerWaalsContact O-N 3.1Å; F344-A346 PolarHBondContact O-N 3.23Å; A346-R365 CarbonylContact O-C 3.54Å; A346-R365 VanDerWaalsContact O-CA 3.27Å; A346-R365 WeakPolarHBondContact O-CA 3.45Å; A346-R365 WeakPolarHBondContact O-CG 3.33Å; A346-C366 PolarHBondContact O-N 2.81Å
347M86.8Confident83.3Confident80 Ų8064.2 Ų64.239%0.39436%0.362SS..EExtended strand (participates in β ladder)trans-130.9129.5-175.6173.8172.5-82.100110.6Y363 S364 R365M347-Y363 HydrophobicContact CE-CD2 3.81Å; M347-Y363 HydrophobicContact CE-CE2 4.16Å; M347-S364 WeakPolarHBondContact CA-O 3.4Å; M347-R365 HydrophobicContact CE-CB 4.21Å
348V88.2Confident82.8Confident4 Ų466.7 Ų66.72%0.02437%0.373CS..EExtended strand (participates in β ladder)trans-108.9149170.5-58.30000110.9L329 I337 D338 G339 F350 Y363 S364 W372L329-V348 HydrophobicContact CD1-CG1 4.4Å; L329-V348 HydrophobicContact CD1-CG2 3.51Å; I337-V348 HydrophobicContact CG2-CB 3.73Å; I337-V348 HydrophobicContact CG2-CG1 4.06Å; I337-V348 HydrophobicContact CG2-CG2 4.13Å; D338-V348 WeakPolarHBondContact O-CA 3.45Å; G339-V348 WeakPolarHBondContact O-CG1 3.5Å; V348-F350 HydrophobicContact CG2-CD1 4.47Å; V348-F350 HydrophobicContact CG2-CE1 3.7Å; V348-F350 HydrophobicContact CG2-CZ 3.74Å; V348-Y363 VanDerWaalsContact O-CA 3.28Å; V348-Y363 WeakPolarHBondContact O-CA 3.39Å; V348-Y363 WeakPolarHBondContact O-CB 3.41Å; V348-S364 PolarHBondContact N-O 3.48Å; V348-S364 PolarHBondContact O-N 3.41Å; V348-W372 HydrophobicContact CG1-CH2 3.87Å; V348-W372 HydrophobicContact CG1-CZ3 4.15Å; V348-W372 HydrophobicContact CG2-CE3 4.44Å; V348-W372 HydrophobicContact CG2-CZ3 4.1Å
349I89Confident82.4Confident71 Ų7167.7 Ų67.736%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-112.4135.3173.9-58.4173.1000108.6D338 R351D338-I349 HydrophobicContact CB-CB 4.22Å; D338-I349 PolarHBondContact N-O 3.06Å; D338-I349 PolarHBondContact O-N 3.09Å; I349-R351 HydrophobicContact CG2-CG 4.35Å
350F89.5Confident82.4Confident11 Ų1168.3 Ų68.35%0.04838%0.384CS..EExtended strand (participates in β ladder)trans-100.3121.3-179.3-56.4-57.6000110.1L329 L332 I337 V348 A361 P362 L376 P377L329-F350 HydrophobicContact CD1-CE1 4.05Å; L329-F350 HydrophobicContact CD1-CZ 4.1Å; L332-F350 HydrophobicContact CD2-CB 3.98Å; L332-F350 HydrophobicContact CD2-CD1 4.26Å; I337-F350 HydrophobicContact CD1-CE1 4.34Å; I337-F350 HydrophobicContact CG1-CD1 4.16Å; I337-F350 HydrophobicContact CG1-CE1 4.38Å; I337-F350 HydrophobicContact CG2-CD1 4.25Å; I337-F350 HydrophobicContact CG2-CE1 4.21Å; V348-F350 HydrophobicContact CG2-CD1 4.47Å; V348-F350 HydrophobicContact CG2-CE1 3.7Å; V348-F350 HydrophobicContact CG2-CZ 3.74Å; F350-A361 WeakPolarHBondContact CD2-O 3.46Å; F350-P362 PolarHBondContact N-O 2.9Å; F350-L376 HydrophobicContact CD1-CD2 4.37Å; F350-L376 HydrophobicContact CE1-CD2 3.78Å; F350-L376 HydrophobicContact CZ-CD2 4.35Å; F350-P377 HydrophobicContact CB-CG 3.58Å; F350-P377 HydrophobicContact CD1-CG 4.35Å; F350-P377 HydrophobicContact CD2-CG 3.55Å; F350-P377 VanDerWaalsContact CE2-CD 3.49Å; F350-P377 HydrophobicContact CE2-CG 4.26Å; F350-P377 HydrophobicContact CG-CG 3.58Å
351R87.3Confident82.7Confident110 Ų11062.1 Ų62.142%0.41535%0.353SS..EExtended strand (participates in β ladder)trans-118.7117.4-177.8-61.9174.7-176.2-878.3109G335 F336 D338 I349G335-R351 CarbonylContact C-O 3.48Å; G335-R351 WeakPolarHBondContact CA-O 3.04Å; F336-R351 HydrophobicContact CD1-CB 3.92Å; F336-R351 HydrophobicContact CD2-CB 4.24Å; F336-R351 HydrophobicContact CE1-CB 3.61Å; F336-R351 HydrophobicContact CE2-CB 3.98Å; F336-R351 HydrophobicContact CE2-CG 4.27Å; F336-R351 HydrophobicContact CG-CB 4.22Å; F336-R351 HydrophobicContact CZ-CB 3.65Å; F336-R351 VanDerWaalsContact CZ-CD 3.48Å; F336-R351 HydrophobicContact CZ-CG 4.22Å; F336-R351 PolarHBondContact N-O 2.77Å; F336-R351 PolarHBondContact O-N 3.23Å; D338-R351 IonicContact OD2-CZ 3.7Å; D338-R351 IonicContact OD2-NE 2.71Å; D338-R351 PolarHBondContact OD2-NE 2.77Å; D338-R351 IonicContact OD2-NH2 3.21Å; D338-R351 PolarHBondContact OD2-NH2 2.93Å; I349-R351 HydrophobicContact CG2-CG 4.35Å
352C84.8Confident82.8Confident28 Ų2858.5 Ų58.519%0.18934%0.341CS..EExtended strand (participates in β ladder)trans-78.2158.4172.9-61.20000111M356 C379C352-M356 HydrophobicContact CB-CB 4.25Å; C352-C379 WeakPolarHBondContact CA-SG 3.36Å; C352-C379 HydrophobicContact CB-CB 3.69Å; C352-C379 WeakPolarHBondContact CB-SG 3.33Å; C352-C379 VanDerWaalsContact SG-CA 3.51Å; C352-C379 WeakPolarHBondContact SG-CB 3.29Å; C352-C379 CovalentContact SG-SG 2.04Å; C352-C379 PolarHBondContact SG-SG 3.39Å
353L82.3Confident83.2Confident89 Ų8961.6 Ų61.647%0.46635%0.348SS..PPolyproline II helixtrans-64.2153168.3-65.7172.3000110.8N334 M356N334-L353 WeakPolarHBondContact O-CG 3.37Å; N334-L353 PolarHBondContact O-N 2.82Å; L353-M356 HydrophobicContact CB-CE 4.13Å; L353-M356 HydrophobicContact CD1-CE 4.29Å; L353-M356 WeakPolarHBondContact O-CB 3.48Å; L353-M356 PolarHBondContact O-N 2.83Å; L353-M356 VanDerWaalsContact O-N 3.07Å
354D79.2Confident83.5Confident166 Ų16659.8 Ų59.889%0.88834%0.336SS*.THydrogen-bonded Turntrans-54.1139.5-174.8-67.1-43.6000113.1M356D354-M356 PolarHBondContact O-N 2.81Å
355G71.9Confident83.9Confident66 Ų6662.2 Ų62.268%0.6834%0.343SS*.THydrogen-bonded Turntrans74.7-1.8-17600000115.4P382G355-P382 WeakPolarHBondContact O-CD 3.38Å; G355-P382 WeakPolarHBondContact O-CG 3.02Å
356M78.9Confident84.1Confident53 Ų5361.2 Ų61.226%0.26133%0.333SS..PPolyproline II helixtrans-100.2145.1177.6-51.3-155.5-158.700112.5N334 C352 L353 D354 A381N334-M356 HydrophobicContact CB-CE 4.42Å; N334-M356 HydrophobicContact CB-SD 3.64Å; C352-M356 HydrophobicContact CB-CB 4.25Å; L353-M356 HydrophobicContact CB-CE 4.13Å; L353-M356 HydrophobicContact CD1-CE 4.29Å; L353-M356 WeakPolarHBondContact O-CB 3.48Å; L353-M356 PolarHBondContact O-N 2.83Å; L353-M356 VanDerWaalsContact O-N 3.07Å; D354-M356 PolarHBondContact O-N 2.81Å; M356-A381 HydrophobicContact SD-CB 3.88Å
357T73.4Confident84Confident56 Ų5664.9 Ų64.934%0.34435%0.349SS..EExtended strand (participates in β ladder)trans-99.8136.9-175.2520000111.1M380T357-M380 PolarHBondContact N-O 2.98Å; T357-M380 PolarHBondContact O-N 2.81Å; T357-M380 PolarHBondContact OG1-O 2.04Å
358H77.6Confident83.7Confident102 Ų10269.1 Ų69.147%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-83.8131.9175.969.6-95.1000110.9
359L79.3Confident83.3Confident91 Ų9174 Ų7448%0.47639%0.391SS..EExtended strand (participates in β ladder)trans-118.1100.5173.7-163.2153.6000108.9P377 S378 M380 H404L359-P377 WeakPolarHBondContact O-CA 3.5Å; L359-S378 PolarHBondContact N-O 2.96Å; L359-S378 PolarHBondContact O-N 3.47Å; L359-M380 HydrophobicContact CB-CE 4.42Å; L359-M380 HydrophobicContact CB-CG 4.11Å; L359-M380 HydrophobicContact CD1-CE 4.15Å; L359-H404 WeakPolarHBondContact CD1-NE2 3.41Å
360G80.6Confident82.9Confident51 Ų5171.2 Ų71.253%0.52638%0.379SS..SBendtrans141.5-165.3-168.100000110
361A83.8Confident82.8Confident18 Ų1872.8 Ų72.815%0.14939%0.392CS..  trans-84.8149.7168.900000110.7F350 Y363 H374F350-A361 WeakPolarHBondContact CD2-O 3.46Å; A361-Y363 VanDerWaalsContact C-N 3.27Å; A361-Y363 PolarHBondContact O-N 2.85Å; A361-H374 HydrophobicContact CB-CB 3.75Å; A361-H374 WeakPolarHBondContact CB-ND1 3.25Å
362P86.4Confident82.8Confident54 Ų5468.9 Ų68.935%0.35138%0.377SS..SBendtrans-80.3-1.7178.831.3-34.7000114.2F350F350-P362 PolarHBondContact N-O 2.9Å
363Y91.5Very high83.1Confident108 Ų10869 Ų6942%0.42438%0.379SS..EExtended strand (participates in β ladder)trans-148.6163.3176.365.9-95.2000111.2M347 V348 A361 H374M347-Y363 HydrophobicContact CE-CD2 3.81Å; M347-Y363 HydrophobicContact CE-CE2 4.16Å; V348-Y363 VanDerWaalsContact O-CA 3.28Å; V348-Y363 WeakPolarHBondContact O-CA 3.39Å; V348-Y363 WeakPolarHBondContact O-CB 3.41Å; A361-Y363 VanDerWaalsContact C-N 3.27Å; A361-Y363 PolarHBondContact O-N 2.85Å; Y363-H374 PolarHBondContact O-ND1 2.72Å
364S90Very high83.3Confident0 Ų067.8 Ų67.80%037%0.37CS..EExtended strand (participates in β ladder)trans-142.7142169.5-155.30000111.7M347 V348 W372 S373 H374M347-S364 WeakPolarHBondContact CA-O 3.4Å; V348-S364 PolarHBondContact N-O 3.48Å; V348-S364 PolarHBondContact O-N 3.41Å; S364-W372 WeakPolarHBondContact OG-CB 3Å; S364-S373 PolarHBondContact OG-N 2.81Å; S364-S373 PolarHBondContact OG-OG 2.92Å; S364-H374 WeakPolarHBondContact CB-O 3.31Å; S364-H374 PolarHBondContact OG-N 3.1Å; S364-H374 PolarHBondContact OG-O 2.69Å
365R91Very high83.6Confident119 Ų11965 Ų6545%0.44936%0.361SS..EExtended strand (participates in β ladder)trans-112.6139.2175.1-168.6-171.9-71.6-85.29.1109.8G345 A346 M347 Q367 S373G345-R365 WeakPolarHBondContact O-CG 3.32Å; G345-R365 PolarHBondContact O-NH1 3.4Å; A346-R365 CarbonylContact O-C 3.54Å; A346-R365 VanDerWaalsContact O-CA 3.27Å; A346-R365 WeakPolarHBondContact O-CA 3.45Å; A346-R365 WeakPolarHBondContact O-CG 3.33Å; M347-R365 HydrophobicContact CE-CB 4.21Å; R365-Q367 PolarHBondContact O-N 2.97Å; R365-S373 PolarHBondContact N-OG 2.78Å; R365-S373 WeakPolarHBondContact O-CB 3.37Å; R365-S373 PolarHBondContact O-N 2.95Å
366C88.1Confident84.1Confident1 Ų164.8 Ų64.81%0.00734%0.344CS..BIsolated β-bridgetrans-67.7122.7171.8-179.50000110.5C326 S343 G345 A346 W372C326-C366 HydrophobicContact CB-CB 3.85Å; C326-C366 WeakPolarHBondContact CB-SG 3.06Å; C326-C366 WeakPolarHBondContact SG-CA 3.13Å; C326-C366 WeakPolarHBondContact SG-CB 3.38Å; C326-C366 CovalentContact SG-SG 2.03Å; C326-C366 PolarHBondContact SG-SG 2.86Å; S343-C366 VanDerWaalsContact O-CB 3.27Å; S343-C366 WeakPolarHBondContact O-CB 3.25Å; S343-C366 PolarHBondContact O-SG 3.25Å; G345-C366 PolarHBondContact N-O 2.97Å; G345-C366 VanDerWaalsContact N-O 3.09Å; A346-C366 PolarHBondContact O-N 2.81Å; C366-W372 HydrophobicContact CB-CE3 4.29Å; C366-W372 HydrophobicContact CB-CH2 4.24Å; C366-W372 HydrophobicContact CB-CZ3 4.09Å
367Q84.9Confident84.4Confident84 Ų8462.6 Ų62.639%0.39333%0.334SS..  trans-99.7164.6-174.5-57.8-165.9-62.800112.4V324 R365 D369 G370 S371V324-Q367 WeakPolarHBondContact CG1-O 3.46Å; R365-Q367 PolarHBondContact O-N 2.97Å; Q367-D369 PolarHBondContact O-N 2.83Å; Q367-G370 PolarHBondContact O-N 3.08Å; Q367-S371 WeakPolarHBondContact CB-O 3.33Å; Q367-S371 PolarHBondContact N-O 2.04Å
368K79.8Confident84.9Confident169 Ų16962.7 Ų62.774%0.73534%0.337SS*.THydrogen-bonded Turntrans-61.9-8.8-174.667.4-176.4178.4-172.40116.1F344F344-K368 HydrophobicContact CD2-CB 4.49Å; F344-K368 HydrophobicContact CE2-CB 3.81Å
369D79.9Confident85.2Confident107 Ų10758 Ų5857%0.57232%0.316SS*.THydrogen-bonded Turntrans-98.4-2.6175.862.9-4.1000113.2Q367 S371Q367-D369 PolarHBondContact O-N 2.83Å; D369-S371 VanDerWaalsContact CG-OG 3.28Å; D369-S371 VanDerWaalsContact OD1-CB 3.3Å; D369-S371 WeakPolarHBondContact OD1-CB 3.02Å; D369-S371 PolarHBondContact OD1-N 3.38Å; D369-S371 PolarHBondContact OD1-OG 2.89Å; D369-S371 PolarHBondContact OD2-OG 3.47Å
370G81Confident85.2Confident12 Ų1255.1 Ų55.112%0.12430%0.3CS..SBendtrans82.215.3-174.100000113.7V324 P327 Q367V324-G370 VanDerWaalsContact CG1-CA 3.49Å; V324-G370 VanDerWaalsContact CG1-N 3.33Å; P327-G370 VanDerWaalsContact CD-O 3.23Å; P327-G370 WeakPolarHBondContact CD-O 3.13Å; Q367-G370 PolarHBondContact O-N 3.08Å
371S87.3Confident85Confident45 Ų4553.6 Ų53.632%0.31528%0.282SS..  trans-103156.7171.9800000112.2C326 Q367 D369C326-S371 PolarHBondContact SG-O 3.5Å; Q367-S371 WeakPolarHBondContact CB-O 3.33Å; Q367-S371 PolarHBondContact N-O 2.04Å; D369-S371 VanDerWaalsContact CG-OG 3.28Å; D369-S371 VanDerWaalsContact OD1-CB 3.3Å; D369-S371 WeakPolarHBondContact OD1-CB 3.02Å; D369-S371 PolarHBondContact OD1-N 3.38Å; D369-S371 PolarHBondContact OD1-OG 2.89Å; D369-S371 PolarHBondContact OD2-OG 3.47Å
372W87.5Confident84.8Confident27 Ų2754.4 Ų54.410%0.10229%0.286CS..BIsolated β-bridgetrans-86.5128.8172.4-75.7103.8000109.5C326 P327 L329 T342 V348 S364 C366 H374C326-W372 HydrophobicContact CB-CD2 4.2Å; C326-W372 HydrophobicContact CB-CG 4.37Å; C326-W372 HydrophobicContact CB-CZ2 4.03Å; P327-W372 PolarHBondContact O-NE1 2.86Å; L329-W372 HydrophobicContact CD1-CD2 3.84Å; L329-W372 HydrophobicContact CD1-CE3 4.23Å; L329-W372 HydrophobicContact CD1-CG 4.22Å; L329-W372 HydrophobicContact CD1-CH2 4.45Å; L329-W372 HydrophobicContact CD1-CZ2 4.07Å; L329-W372 HydrophobicContact CD2-CB 4.42Å; L329-W372 HydrophobicContact CD2-CD2 4.34Å; L329-W372 HydrophobicContact CD2-CG 3.87Å; L329-W372 HydrophobicContact CG-CD2 4.17Å; L329-W372 HydrophobicContact CG-CG 4.2Å; L329-W372 HydrophobicContact CG-CZ2 4.33Å; T342-W372 HydrophobicContact CG2-CZ2 4.4Å; V348-W372 HydrophobicContact CG1-CH2 3.87Å; V348-W372 HydrophobicContact CG1-CZ3 4.15Å; V348-W372 HydrophobicContact CG2-CE3 4.44Å; V348-W372 HydrophobicContact CG2-CZ3 4.1Å; S364-W372 WeakPolarHBondContact OG-CB 3Å; C366-W372 HydrophobicContact CB-CE3 4.29Å; C366-W372 HydrophobicContact CB-CH2 4.24Å; C366-W372 HydrophobicContact CB-CZ3 4.09Å; W372-H374 PolarHBondContact O-N 2.91Å
373S90.3Very high84.6Confident31 Ų3151.9 Ų51.922%0.21727%0.27CS..SBendtrans-52.2-29.6-172.166.40000114.9S364 R365S364-S373 PolarHBondContact OG-N 2.81Å; S364-S373 PolarHBondContact OG-OG 2.92Å; R365-S373 PolarHBondContact N-OG 2.78Å; R365-S373 WeakPolarHBondContact O-CB 3.37Å; R365-S373 PolarHBondContact O-N 2.95Å
374H86.5Confident84.1Confident64 Ų6454.5 Ų54.530%0.29629%0.286SS..SBendtrans-133144.4169.1-51.7116000109.4A361 Y363 S364 W372A361-H374 HydrophobicContact CB-CB 3.75Å; A361-H374 WeakPolarHBondContact CB-ND1 3.25Å; Y363-H374 PolarHBondContact O-ND1 2.72Å; S364-H374 WeakPolarHBondContact CB-O 3.31Å; S364-H374 PolarHBondContact OG-N 3.1Å; S364-H374 PolarHBondContact OG-O 2.69Å; W372-H374 PolarHBondContact O-N 2.91Å
375P85Confident83.5Confident107 Ų10756.9 Ų56.970%0.69530%0.298SS*.PPolyproline II helixtrans-68.1168.7170.931.8-36.2000111.1
376L83.9Confident82.6Confident62 Ų6252 Ų5233%0.32528%0.282SS..PPolyproline II helixtrans-50.5123.5170.1-77.4167000110.6L329 L332 I337 F350L329-L376 HydrophobicContact CB-CD2 4.29Å; L329-L376 HydrophobicContact CD2-CD2 4.47Å; L329-L376 HydrophobicContact CD2-CG 4.2Å; L332-L376 HydrophobicContact CB-CD2 4.43Å; I337-L376 HydrophobicContact CD1-CD2 3.72Å; F350-L376 HydrophobicContact CD1-CD2 4.37Å; F350-L376 HydrophobicContact CE1-CD2 3.78Å; F350-L376 HydrophobicContact CZ-CD2 4.35Å
377P84.8Confident82Confident7 Ų762.4 Ų62.45%0.04533%0.327CS..PPolyproline II helixtrans-69.1162.2172.430.7-35.4000110.1L332 F350 L359L332-P377 HydrophobicContact CD1-CG 4.2Å; L332-P377 WeakPolarHBondContact CD1-O 3.42Å; F350-P377 HydrophobicContact CB-CG 3.58Å; F350-P377 HydrophobicContact CD1-CG 4.35Å; F350-P377 HydrophobicContact CD2-CG 3.55Å; F350-P377 VanDerWaalsContact CE2-CD 3.49Å; F350-P377 HydrophobicContact CE2-CG 4.26Å; F350-P377 HydrophobicContact CG-CG 3.58Å; L359-P377 WeakPolarHBondContact O-CA 3.5Å
378S84.2Confident81.5Confident58 Ų5860.2 Ų60.241%0.40632%0.317SS..EExtended strand (participates in β ladder)trans-97.5121170-62.40000109.8L359 M380L359-S378 PolarHBondContact N-O 2.96Å; L359-S378 PolarHBondContact O-N 3.47Å; S378-M380 PolarHBondContact O-N 3.42Å
379C84.1Confident81.3Confident4 Ų456.2 Ų56.23%0.02731%0.311CS..EExtended strand (participates in β ladder)trans-83.9103.3171-69.80000109.4W333 N334 C352W333-C379 WeakPolarHBondContact O-CB 3.28Å; N334-C379 HydrophobicContact CB-CB 3.76Å; N334-C379 WeakPolarHBondContact CB-O 3.35Å; N334-C379 PolarHBondContact ND2-O 2.95Å; N334-C379 VanDerWaalsContact ND2-O 3.08Å; N334-C379 VanDerWaalsContact O-CB 3.29Å; N334-C379 WeakPolarHBondContact O-CB 3.44Å; C352-C379 WeakPolarHBondContact CA-SG 3.36Å; C352-C379 HydrophobicContact CB-CB 3.69Å; C352-C379 WeakPolarHBondContact CB-SG 3.33Å; C352-C379 VanDerWaalsContact SG-CA 3.51Å; C352-C379 WeakPolarHBondContact SG-CB 3.29Å; C352-C379 CovalentContact SG-SG 2.04Å; C352-C379 PolarHBondContact SG-SG 3.39Å
380M79.5Confident81.2Confident29 Ų2955.3 Ų55.314%0.14331%0.306CS..EExtended strand (participates in β ladder)trans-97.3121.4-168.9-57.8-67.7-14800110.4T357 L359 S378 H404 N428T357-M380 PolarHBondContact N-O 2.98Å; T357-M380 PolarHBondContact O-N 2.81Å; T357-M380 PolarHBondContact OG1-O 2.04Å; L359-M380 HydrophobicContact CB-CE 4.42Å; L359-M380 HydrophobicContact CB-CG 4.11Å; L359-M380 HydrophobicContact CD1-CE 4.15Å; S378-M380 PolarHBondContact O-N 3.42Å; M380-H404 HydrophobicContact CB-CB 3.66Å; M380-H404 WeakPolarHBondContact CB-CD2 3.4Å; M380-H404 WeakPolarHBondContact CG-CD2 3.36Å; M380-N428 WeakPolarHBondContact CA-OD1 3.46Å; M380-N428 HydrophobicContact CB-CB 4.43Å; M380-N428 HydrophobicContact SD-CB 3.67Å; M380-N428 VanDerWaalsContact SD-CG 3.57Å; M380-N428 PolarHBondContact SD-ND2 3.34Å
381A75.7Confident81.2Confident19 Ų1955.7 Ų55.716%0.15731%0.31CS..PPolyproline II helixtrans-70.7145.7179.700000111.8M356 N428 G429M356-A381 HydrophobicContact SD-CB 3.88Å; A381-N428 PolarHBondContact N-OD1 3.2Å; A381-N428 CarbonylContact O-C 3.51Å; A381-G429 PolarHBondContact O-N 3.49Å
382P80.2Confident81Confident36 Ų3659.7 Ų59.723%0.23433%0.327CS..PPolyproline II helixtrans-75.8157.6172.235-37000111.1G355 P401 V402G355-P382 WeakPolarHBondContact O-CD 3.38Å; G355-P382 WeakPolarHBondContact O-CG 3.02Å; P382-P401 HydrophobicContact CB-CB 4.03Å; P382-P401 HydrophobicContact CB-CG 4.32Å; P382-P401 HydrophobicContact CG-CB 4.17Å; P382-P401 HydrophobicContact CG-CG 4.18Å; P382-V402 CarbonylContact C-O 3.46Å; P382-V402 WeakPolarHBondContact CA-O 3.29Å; P382-V402 VanDerWaalsContact CB-O 3.28Å; P382-V402 WeakPolarHBondContact CB-O 3.01Å
383C81.2Confident80.6Confident0 Ų060 Ų600%033%0.33CS..BIsolated β-bridgetrans-101.2129.5-174.3-58.90000112V402 C426 G429 S430 W431C383-V402 PolarHBondContact N-O 2.89Å; C383-V402 PolarHBondContact O-N 2.93Å; C383-C426 HydrophobicContact CB-CB 3.74Å; C383-C426 WeakPolarHBondContact CB-SG 3.12Å; C383-C426 PolarHBondContact N-SG 2.93Å; C383-C426 WeakPolarHBondContact SG-CA 3.42Å; C383-C426 WeakPolarHBondContact SG-CB 3.27Å; C383-C426 CovalentContact SG-SG 2.03Å; C383-C426 PolarHBondContact SG-SG 2.71Å; C383-G429 VanDerWaalsContact SG-C 3.55Å; C383-S430 PolarHBondContact SG-N 3.13Å; C383-S430 VanDerWaalsContact SG-N 3.43Å; C383-W431 HydrophobicContact CB-CD2 4.31Å; C383-W431 HydrophobicContact CB-CH2 4.24Å; C383-W431 HydrophobicContact CB-CZ2 3.61Å
384Q81.5Confident80.1Confident164 Ų16462.3 Ų62.377%0.76634%0.339SS*.PPolyproline II helixtrans-67.5147.8169.5-68.9-173.7-900111.6W431Q384-W431 PolarHBondContact O-NE1 2.78Å
385M76.4Confident79.4Confident49 Ų4962.4 Ų62.424%0.24134%0.336CS..PPolyproline II helixtrans-57.2126.2179.6-94.8-68.6107.200112.7I393 L398 V402 V408 W431M385-I393 HydrophobicContact CE-CD1 4.48Å; M385-I393 HydrophobicContact CE-CG2 4.46Å; M385-I393 HydrophobicContact SD-CD1 3.56Å; M385-I393 VanDerWaalsContact SD-CD1 3.56Å; M385-I393 HydrophobicContact SD-CG2 4.14Å; M385-L398 HydrophobicContact CG-CD2 4.42Å; M385-L398 HydrophobicContact SD-CD2 3.94Å; M385-V402 HydrophobicContact CE-CG2 3.45Å; M385-V402 VanDerWaalsContact CE-CG2 3.45Å; M385-V408 HydrophobicContact CE-CG1 3.84Å; M385-W431 HydrophobicContact CE-CH2 4.05Å; M385-W431 HydrophobicContact CE-CZ2 3.89Å
386P73.5Confident78.7Confident18 Ų1865.9 Ų65.912%0.11735%0.349CS..PPolyproline II helixtrans-80.9134.1179.932-31000110.8L388 I393 W431 L434 P435P386-L388 PolarHBondContact O-N 3.42Å; P386-L388 VanDerWaalsContact O-N 3.13Å; P386-I393 HydrophobicContact CG-CD1 4.14Å; P386-W431 HydrophobicContact CG-CD2 4.47Å; P386-W431 HydrophobicContact CG-CZ2 4.48Å; P386-L434 HydrophobicContact CB-CD2 4.47Å; P386-P435 HydrophobicContact CB-CG 4.19Å; P386-P435 HydrophobicContact CG-CG 3.75Å
387K74.7Confident78.1Confident218 Ų21866.5 Ų66.595%0.94835%0.353SS*.  trans-69.4110.1175-64.4-172.3-179.7-174.70110.3
388L74.4Confident77.5Confident38 Ų3871 Ų7120%0.19938%0.376CS..  trans-96.6145.6-178.8-175.362.1000111.5P386 G391 I393 I410 P435P386-L388 PolarHBondContact O-N 3.42Å; P386-L388 VanDerWaalsContact O-N 3.13Å; L388-G391 VanDerWaalsContact CD2-C 3.43Å; L388-I393 HydrophobicContact CD2-CG1 4.02Å; L388-I410 HydrophobicContact CD2-CD1 4.37Å; L388-I410 HydrophobicContact CD2-CG2 3.49Å; L388-I410 VanDerWaalsContact CD2-CG2 3.49Å; L388-P435 HydrophobicContact CD1-CB 4.09Å; L388-P435 HydrophobicContact CD1-CG 4.41Å
389S76.4Confident76.9Confident86 Ų8673.1 Ų73.160%0.60139%0.391SS*.SBendtrans-122.4150.8168.359.60000110.8G391S389-G391 PolarHBondContact O-N 2.8Å
390N77.7Confident76.5Confident87 Ų8778.4 Ų78.447%0.46542%0.415SS..SBendtrans54.132.1-175.2-59-4.7000114.2A413 H416 C437N390-A413 WeakPolarHBondContact O-CB 3.08Å; N390-A413 PolarHBondContact O-N 2.96Å; N390-H416 PolarHBondContact ND2-NE2 2.7Å; N390-C437 HydrophobicContact CB-CB 4.12Å; N390-C437 WeakPolarHBondContact O-CB 3.16Å; N390-C437 PolarHBondContact O-SG 2.93Å; N390-C437 VanDerWaalsContact O-SG 3.38Å
391G79.5Confident76.5Confident20 Ų2080.2 Ų80.221%0.20643%0.429CS..EExtended strand (participates in β ladder)trans-171.4173.7175.700000112.9L388 S389 R411L388-G391 VanDerWaalsContact CD2-C 3.43Å; S389-G391 PolarHBondContact O-N 2.8Å; G391-R411 CarbonylContact C-O 3.56Å; G391-R411 WeakPolarHBondContact CA-O 3.46Å
392L83.5Confident76.7Confident130 Ų13079.3 Ų79.368%0.68142%0.422SS*.EExtended strand (participates in β ladder)trans-127.7141.9-178.3-65.3168.5000110.2I410 R411L392-I410 WeakPolarHBondContact O-CA 3.37Å; L392-R411 PolarHBondContact N-O 2.93Å; L392-R411 PolarHBondContact O-N 2.92Å
393I80.3Confident76.7Confident32 Ų3279.9 Ų79.916%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-91133.2172.8-55.4178.5000108.2M385 P386 L388 L398 V408 I410M385-I393 HydrophobicContact CE-CD1 4.48Å; M385-I393 HydrophobicContact CE-CG2 4.46Å; M385-I393 HydrophobicContact SD-CD1 3.56Å; M385-I393 VanDerWaalsContact SD-CD1 3.56Å; M385-I393 HydrophobicContact SD-CG2 4.14Å; P386-I393 HydrophobicContact CG-CD1 4.14Å; L388-I393 HydrophobicContact CD2-CG1 4.02Å; I393-L398 HydrophobicContact CB-CD2 4.48Å; I393-L398 HydrophobicContact CG2-CD2 4.48Å; I393-V408 HydrophobicContact CG2-CB 4.09Å; I393-I410 HydrophobicContact CG1-CD1 4.3Å; I393-I410 HydrophobicContact CG1-CG1 4.18Å
394M78.2Confident76.5Confident81 Ų8181.9 Ų81.940%0.39944%0.435SS..EExtended strand (participates in β ladder)trans-96.496.4175.9-67.4-179.662.100110.1I409 R411M394-I409 HydrophobicContact CB-CB 4.16Å; M394-I409 HydrophobicContact CB-CG2 4.32Å; M394-I409 HydrophobicContact CG-CG2 4.45Å; M394-I409 PolarHBondContact N-O 2.81Å; M394-I409 HydrophobicContact SD-CG2 3.78Å; M394-R411 HydrophobicContact CG-CG 4.4Å; M394-R411 HydrophobicContact SD-CG 3.79Å; M394-R411 VanDerWaalsContact SD-CZ 3.52Å; M394-R411 PolarHBondContact SD-NE 2.82Å
395R72.6Confident76.2Confident65 Ų6576.4 Ų76.425%0.24542%0.422CS..  trans-155.5140.6169.1-151173.5-170.6-105.14.9106.9L398 E406R395-L398 HydrophobicContact CB-CD2 4.42Å; R395-E406 IonicContact CZ-OE2 2.72Å; R395-E406 IonicContact NE-OE2 3.87Å; R395-E406 IonicContact NH2-OE2 2.7Å; R395-E406 PolarHBondContact NH2-OE2 3.28Å
396D70.9Confident76.4Confident181 Ų18178.2 Ų78.297%0.96843%0.43SS*.SBendtrans-72.3-36.7-172.4-60.6-40.7000112.2
397D71.7Confident76.8Confident74 Ų7482.4 Ų82.440%0.39645%0.448SS..  trans-108.9129.6168.1-156-36.5000111.2S399D397-S399 WeakPolarHBondContact OD1-CA 3.3Å; D397-S399 VanDerWaalsContact OD1-CB 3.27Å; D397-S399 WeakPolarHBondContact OD1-CB 3.42Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.85Å; D397-S399 PolarHBondContact OD2-OG 2.85Å
398L71.6Confident77.1Confident101 Ų10172.1 Ų72.153%0.52940%0.403SS..SBendtrans-107.9-2.8178.4-65.2174.4000112.8M385 I393 R395M385-L398 HydrophobicContact CG-CD2 4.42Å; M385-L398 HydrophobicContact SD-CD2 3.94Å; I393-L398 HydrophobicContact CB-CD2 4.48Å; I393-L398 HydrophobicContact CG2-CD2 4.48Å; R395-L398 HydrophobicContact CB-CD2 4.42Å
399S72.2Confident77.5Confident103 Ų10374 Ų7472%0.7241%0.413SS*.SBendtrans-88-35178.174.40000112.5D397D397-S399 WeakPolarHBondContact OD1-CA 3.3Å; D397-S399 VanDerWaalsContact OD1-CB 3.27Å; D397-S399 WeakPolarHBondContact OD1-CB 3.42Å; D397-S399 PolarHBondContact OD1-N 2.87Å; D397-S399 PolarHBondContact OD1-OG 2.85Å; D397-S399 PolarHBondContact OD2-OG 2.85Å
400E74.9Confident77.7Confident116 Ų11670.6 Ų70.654%0.54239%0.387SS..SBendtrans-71.4138176.4-67.8-161.1144.200112.7
401P78.7Confident78Confident67 Ų6774.3 Ų74.344%0.43540%0.395SS..PPolyproline II helixtrans-73.5141.417434.1-35.9000110.5P382P382-P401 HydrophobicContact CB-CB 4.03Å; P382-P401 HydrophobicContact CB-CG 4.32Å; P382-P401 HydrophobicContact CG-CB 4.17Å; P382-P401 HydrophobicContact CG-CG 4.18Å
402V80.7Confident78.2Confident0 Ų075 Ų750%040%0.396CS..BIsolated β-bridgetrans-79.5127.7-171.8-179.70000110.9P382 C383 M385 E406 V408 C426 W431P382-V402 CarbonylContact C-O 3.46Å; P382-V402 WeakPolarHBondContact CA-O 3.29Å; P382-V402 VanDerWaalsContact CB-O 3.28Å; P382-V402 WeakPolarHBondContact CB-O 3.01Å; C383-V402 PolarHBondContact N-O 2.89Å; C383-V402 PolarHBondContact O-N 2.93Å; M385-V402 HydrophobicContact CE-CG2 3.45Å; M385-V402 VanDerWaalsContact CE-CG2 3.45Å; V402-E406 HydrophobicContact CG1-CB 3.62Å; V402-V408 HydrophobicContact CG1-CG1 4.28Å; V402-V408 HydrophobicContact CG2-CG1 4.1Å; V402-C426 HydrophobicContact CG1-CB 4.22Å; V402-C426 PolarHBondContact O-SG 2.75Å; V402-C426 VanDerWaalsContact O-SG 3.33Å; V402-W431 HydrophobicContact CB-CH2 3.75Å; V402-W431 HydrophobicContact CB-CZ2 4.2Å; V402-W431 HydrophobicContact CG1-CH2 3.9Å; V402-W431 HydrophobicContact CG2-CH2 3.81Å; V402-W431 HydrophobicContact CG2-CZ2 4.16Å
403P79.2Confident78Confident47 Ų4771.1 Ų71.131%0.30538%0.383SS..PPolyproline II helixtrans-57.4150.9177.3-25.534.6000113.4G405 E406 C426P403-G405 PolarHBondContact O-N 2.64Å; P403-E406 HydrophobicContact CB-CG 4.43Å; P403-E406 PolarHBondContact O-N 2.87Å; P403-C426 WeakPolarHBondContact O-CB 3.42Å
404H77Confident77.8Confident43 Ų4374.2 Ų74.220%0.19941%0.408CS..THydrogen-bonded Turntrans-61.9133173.4173.949.1000111.1L359 M380 C426 N428L359-H404 WeakPolarHBondContact CD1-NE2 3.41Å; M380-H404 HydrophobicContact CB-CB 3.66Å; M380-H404 WeakPolarHBondContact CB-CD2 3.4Å; M380-H404 WeakPolarHBondContact CG-CD2 3.36Å; H404-C426 PolarHBondContact ND1-O 3.36Å; H404-N428 PolarHBondContact ND1-N 2.9Å
405G75.7Confident77.2Confident49 Ų4977.9 Ų77.951%0.50542%0.422SS..THydrogen-bonded Turntrans93.7-19.7-178.300000114.3P403 C426P403-G405 PolarHBondContact O-N 2.64Å; G405-C426 PolarHBondContact N-O 3.21Å
406E82.1Confident77.4Confident87 Ų8776.9 Ų76.941%0.40742%0.42SS..  trans-69.8150.9170-80.3-156.9163.800112R395 V402 P403 V425 C426R395-E406 IonicContact CZ-OE2 2.72Å; R395-E406 IonicContact NE-OE2 3.87Å; R395-E406 IonicContact NH2-OE2 2.7Å; R395-E406 PolarHBondContact NH2-OE2 3.28Å; V402-E406 HydrophobicContact CG1-CB 3.62Å; P403-E406 HydrophobicContact CB-CG 4.43Å; P403-E406 PolarHBondContact O-N 2.87Å; E406-V425 CarbonylContact O-C 3.52Å; E406-V425 WeakPolarHBondContact O-CA 3.43Å; E406-V425 WeakPolarHBondContact O-CG1 3.45Å; E406-C426 PolarHBondContact O-N 2.81Å
407H80.9Confident77.5Confident106 Ų10671 Ų7149%0.49139%0.386SS..BIsolated β-bridgetrans-117.6144.7175.668.6-91.6000110.7N423 P424 V425H407-N423 HydrophobicContact CB-CB 4.2Å; H407-P424 CarbonylContact C-O 3.59Å; H407-P424 VanDerWaalsContact CA-O 3.23Å; H407-P424 WeakPolarHBondContact CA-O 3.43Å; H407-V425 HydrophobicContact CB-CG2 4.09Å
408V81.3Confident77.7Confident2 Ų269.1 Ų69.11%0.01238%0.376CS..  trans-106.7124.1-179.3-64.50000111.1M385 I393 V402 I410 N423 P424 W431M385-V408 HydrophobicContact CE-CG1 3.84Å; I393-V408 HydrophobicContact CG2-CB 4.09Å; V402-V408 HydrophobicContact CG1-CG1 4.28Å; V402-V408 HydrophobicContact CG2-CG1 4.1Å; V408-I410 HydrophobicContact CG2-CD1 4.32Å; V408-N423 WeakPolarHBondContact O-CB 3.4Å; V408-P424 HydrophobicContact CG2-CB 4.08Å; V408-P424 HydrophobicContact CG2-CG 4.2Å; V408-P424 PolarHBondContact N-O 2.98Å; V408-W431 HydrophobicContact CB-CH2 4.43Å; V408-W431 HydrophobicContact CB-CZ3 4.42Å; V408-W431 HydrophobicContact CG1-CH2 3.61Å; V408-W431 HydrophobicContact CG1-CZ3 3.93Å; V408-W431 HydrophobicContact CG2-CE3 4.32Å; V408-W431 HydrophobicContact CG2-CH2 3.9Å; V408-W431 HydrophobicContact CG2-CZ3 3.65Å
409I81.8Confident77.6Confident77 Ų7766.9 Ų66.940%0.39536%0.363SS..EExtended strand (participates in β ladder)trans-78.7133.8-178.8-60.6172.9000108.8M394M394-I409 HydrophobicContact CB-CB 4.16Å; M394-I409 HydrophobicContact CB-CG2 4.32Å; M394-I409 HydrophobicContact CG-CG2 4.45Å; M394-I409 PolarHBondContact N-O 2.81Å; M394-I409 HydrophobicContact SD-CG2 3.78Å
410I81.7Confident77.5Confident14 Ų1467.5 Ų67.57%0.07235%0.35CS..EExtended strand (participates in β ladder)trans-129.4132-174.5-63.3179.9000111.4L388 L392 I393 V408 L418 P424 P435L388-I410 HydrophobicContact CD2-CD1 4.37Å; L388-I410 HydrophobicContact CD2-CG2 3.49Å; L388-I410 VanDerWaalsContact CD2-CG2 3.49Å; L392-I410 WeakPolarHBondContact O-CA 3.37Å; I393-I410 HydrophobicContact CG1-CD1 4.3Å; I393-I410 HydrophobicContact CG1-CG1 4.18Å; V408-I410 HydrophobicContact CG2-CD1 4.32Å; I410-L418 HydrophobicContact CB-CD2 4.14Å; I410-L418 HydrophobicContact CG2-CD2 3.84Å; I410-P424 HydrophobicContact CD1-CG 3.81Å; I410-P435 HydrophobicContact CD1-CB 3.27Å; I410-P435 HydrophobicContact CD1-CG 3.68Å
411R84.1Confident77.1Confident165 Ų16567.8 Ų67.862%0.62337%0.365SS*.EExtended strand (participates in β ladder)trans-106.7114.2172.5-70.9-177.3176.4166.94.6109.9G391 L392 M394G391-R411 CarbonylContact C-O 3.56Å; G391-R411 WeakPolarHBondContact CA-O 3.46Å; L392-R411 PolarHBondContact N-O 2.93Å; L392-R411 PolarHBondContact O-N 2.92Å; M394-R411 HydrophobicContact CG-CG 4.4Å; M394-R411 HydrophobicContact SD-CG 3.79Å; M394-R411 VanDerWaalsContact SD-CZ 3.52Å; M394-R411 PolarHBondContact SD-NE 2.82Å
412C82.6Confident76.9Confident35 Ų3571.3 Ų71.324%0.23638%0.376CS..EExtended strand (participates in β ladder)trans-76.3151.8172.2-66.60000112.1H416 C437C412-H416 HydrophobicContact CB-CB 4.15Å; C412-H416 WeakPolarHBondContact CB-O 3.38Å; C412-C437 WeakPolarHBondContact CA-SG 3.47Å; C412-C437 HydrophobicContact CB-CB 3.65Å; C412-C437 WeakPolarHBondContact CB-SG 3.4Å; C412-C437 WeakPolarHBondContact SG-CA 3.33Å; C412-C437 WeakPolarHBondContact SG-CB 3.48Å; C412-C437 CovalentContact SG-SG 2.04Å; C412-C437 PolarHBondContact SG-SG 3.3Å
413A80.4Confident76.8Confident49 Ų4973.9 Ų73.941%0.40539%0.39SS..PPolyproline II helixtrans-69.7161.4171.300000111.4N390 H416N390-A413 WeakPolarHBondContact O-CB 3.08Å; N390-A413 PolarHBondContact O-N 2.96Å; A413-H416 WeakPolarHBondContact O-CB 3.38Å; A413-H416 PolarHBondContact O-N 2.91Å
414S74.8Confident76.9Confident97 Ų9771.6 Ų71.668%0.67838%0.375SS*.THydrogen-bonded Turntrans-48.6144-177.7-530000113.6H416S414-H416 PolarHBondContact O-N 2.88Å; S414-H416 VanDerWaalsContact O-N 3.17Å; S414-H416 PolarHBondContact O-ND1 2.79Å
415F67.4Low77.3Confident158 Ų15871.7 Ų71.769%0.69338%0.378SS*.THydrogen-bonded Turntrans63.24.7-174.3-48.1-77.3000116.1S440F415-S440 PolarHBondContact O-N 2.83Å
416H75.1Confident77.6Confident44 Ų4469.3 Ų69.320%0.20435%0.354CS..EExtended strand (participates in β ladder)trans-113.6142.8173-57.973.4000111.5N390 C412 A413 S414 C437 V438N390-H416 PolarHBondContact ND2-NE2 2.7Å; C412-H416 HydrophobicContact CB-CB 4.15Å; C412-H416 WeakPolarHBondContact CB-O 3.38Å; A413-H416 WeakPolarHBondContact O-CB 3.38Å; A413-H416 PolarHBondContact O-N 2.91Å; S414-H416 PolarHBondContact O-N 2.88Å; S414-H416 VanDerWaalsContact O-N 3.17Å; S414-H416 PolarHBondContact O-ND1 2.79Å; H416-C437 HydrophobicContact CB-CB 3.95Å; H416-C437 PolarHBondContact CD2-O 2.02Å; H416-V438 CarbonylContact C-O 3.59Å; H416-V438 WeakPolarHBondContact CA-O 3.49Å
417E74.7Confident77.3Confident56 Ų5667.7 Ų67.726%0.26235%0.348SS..EExtended strand (participates in β ladder)trans-118.2162.517266.3-173.9-134.800109.3C437 V438 S440 R441E417-C437 CarbonylContact O-C 3.57Å; E417-C437 WeakPolarHBondContact O-CA 3.45Å; E417-V438 HydrophobicContact CG-CG2 4.12Å; E417-V438 PolarHBondContact N-O 3.27Å; E417-V438 PolarHBondContact O-N 2.9Å; E417-S440 WeakPolarHBondContact OE2-CA 3.06Å; E417-S440 VanDerWaalsContact OE2-CB 3.27Å; E417-S440 WeakPolarHBondContact OE2-CB 3.35Å; E417-S440 PolarHBondContact OE2-OG 2.88Å; E417-R441 IonicContact OE1-CZ 3.11Å; E417-R441 IonicContact OE1-NE 2.66Å; E417-R441 PolarHBondContact OE1-NE 3.1Å; E417-R441 IonicContact OE1-NH2 2.79Å; E417-R441 PolarHBondContact OE1-NH2 3.4Å; E417-R441 PolarHBondContact OE2-N 2.96Å
418L74.4Confident77.1Confident36 Ų3666 Ų6619%0.18834%0.343CS..EExtended strand (participates in β ladder)trans-65.1140170-73.5166.7000110.2I410 Y420 R436 R441I410-L418 HydrophobicContact CB-CD2 4.14Å; I410-L418 HydrophobicContact CG2-CD2 3.84Å; L418-Y420 WeakPolarHBondContact CB-O 3.28Å; L418-Y420 PolarHBondContact O-N 3.41Å; L418-Y420 VanDerWaalsContact O-N 3.11Å; L418-R436 WeakPolarHBondContact CA-O 3.4Å; L418-R441 PolarHBondContact O-NH2 2.75Å; L418-R441 VanDerWaalsContact O-NH2 3.16Å
419E70.7Confident76.8Confident54 Ų5467.8 Ų67.825%0.25236%0.362SS..SBendtrans-58.5-26.4178.6-174.5160.5-144.800112.1R436 V438 R441E419-R436 HydrophobicContact CB-CB 4.2Å; E419-R436 PolarHBondContact N-O 3.33Å; E419-R436 WeakPolarHBondContact OE2-CD 3.3Å; E419-R436 IonicContact OE2-CZ 3.64Å; E419-R436 IonicContact OE2-NE 2.68Å; E419-R436 IonicContact OE2-NH1 2.74Å; E419-R436 PolarHBondContact OE2-NH1 3.19Å; E419-V438 HydrophobicContact CB-CG1 3.93Å; E419-V438 HydrophobicContact CB-CG2 4.1Å; E419-V438 HydrophobicContact CG-CG1 4.28Å; E419-R441 PolarHBondContact O-NH1 2.9Å; E419-R441 PolarHBondContact O-NH2 2.8Å
420Y70.3Confident76.5Confident115 Ų11565.8 Ų65.845%0.45135%0.354SS..SBendtrans-125151.8176.8-53.8-88.7000109.9L418 E422 H433L418-Y420 WeakPolarHBondContact CB-O 3.28Å; L418-Y420 PolarHBondContact O-N 3.41Å; L418-Y420 VanDerWaalsContact O-N 3.11Å; Y420-E422 PolarHBondContact O-N 2.96Å; Y420-H433 HydrophobicContact CD2-CB 4.01Å; Y420-H433 AromaticContact CD2-CD2 3.33Å; Y420-H433 WeakPolarHBondContact CD2-CD2 3.35Å; Y420-H433 AromaticContact CD2-CG 3.62Å; Y420-H433 AromaticContact CD2-NE2 3.88Å; Y420-H433 HydrophobicContact CE2-CB 3.95Å; Y420-H433 AromaticContact CE2-CD2 3.97Å
421S66.3Low76.4Confident123 Ų12366.1 Ų66.186%0.8636%0.355SS*.SBendtrans-81.37.3-17649.30000115.1
422E73Confident76.1Confident140 Ų14059.3 Ų59.365%0.65433%0.332SS*.SBendtrans-125.8149-171.6-69.3163.9-156.200109.2Y420 H433Y420-E422 PolarHBondContact O-N 2.96Å; E422-H433 PolarHBondContact O-CE1 3.5Å
423N78.9Confident75.8Confident54 Ų5458.9 Ų58.929%0.28933%0.327SS..  trans-68.9143.7174.1-72.7-38.5000110.5H407 V408 V425H407-N423 HydrophobicContact CB-CB 4.2Å; V408-N423 WeakPolarHBondContact O-CB 3.4Å; N423-V425 PolarHBondContact O-N 2.98Å
424P82.2Confident75.4Confident0 Ų061.9 Ų61.90%034%0.335CS..  trans-60.3132.7172.3-18.628.5000111.2H407 V408 I410 W431 P435H407-P424 CarbonylContact C-O 3.59Å; H407-P424 VanDerWaalsContact CA-O 3.23Å; H407-P424 WeakPolarHBondContact CA-O 3.43Å; V408-P424 HydrophobicContact CG2-CB 4.08Å; V408-P424 HydrophobicContact CG2-CG 4.2Å; V408-P424 PolarHBondContact N-O 2.98Å; I410-P424 HydrophobicContact CD1-CG 3.81Å; P424-W431 HydrophobicContact CB-CD2 4.48Å; P424-W431 HydrophobicContact CB-CE3 3.73Å; P424-W431 HydrophobicContact CB-CZ3 4.35Å; P424-P435 HydrophobicContact CG-CB 3.65Å; P424-P435 HydrophobicContact CG-CG 3.94Å
425V84.3Confident75.3Confident44 Ų4457.7 Ų57.727%0.26731%0.306SS..BIsolated β-bridgetrans-106.9138.9176.7-1720000108.7E406 H407 N423 N427 S432E406-V425 CarbonylContact O-C 3.52Å; E406-V425 WeakPolarHBondContact O-CA 3.43Å; E406-V425 WeakPolarHBondContact O-CG1 3.45Å; H407-V425 HydrophobicContact CB-CG2 4.09Å; N423-V425 PolarHBondContact O-N 2.98Å; V425-N427 PolarHBondContact O-N 2.96Å; V425-S432 PolarHBondContact N-OG 2.98Å; V425-S432 PolarHBondContact O-N 3.29Å
426C83.3Confident75.8Confident0 Ų056.8 Ų56.80%030%0.298CS..EExtended strand (participates in β ladder)trans-74.2115.7172.5175.30000110.6C383 V402 P403 H404 G405 E406 W431C383-C426 HydrophobicContact CB-CB 3.74Å; C383-C426 WeakPolarHBondContact CB-SG 3.12Å; C383-C426 PolarHBondContact N-SG 2.93Å; C383-C426 WeakPolarHBondContact SG-CA 3.42Å; C383-C426 WeakPolarHBondContact SG-CB 3.27Å; C383-C426 CovalentContact SG-SG 2.03Å; C383-C426 PolarHBondContact SG-SG 2.71Å; V402-C426 HydrophobicContact CG1-CB 4.22Å; V402-C426 PolarHBondContact O-SG 2.75Å; V402-C426 VanDerWaalsContact O-SG 3.33Å; P403-C426 WeakPolarHBondContact O-CB 3.42Å; H404-C426 PolarHBondContact ND1-O 3.36Å; G405-C426 PolarHBondContact N-O 3.21Å; E406-C426 PolarHBondContact O-N 2.81Å; C426-W431 HydrophobicContact CB-CE3 4.47Å; C426-W431 HydrophobicContact CB-CH2 4.29Å; C426-W431 HydrophobicContact CB-CZ3 4.07Å
427N75.4Confident76.1Confident52 Ų5255.2 Ų55.228%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-116.689.8179.5-74.5-14.1000110.3V425 S430 S432V425-N427 PolarHBondContact O-N 2.96Å; N427-S430 CarbonylContact C-O 3.53Å; N427-S430 VanDerWaalsContact CA-O 3.27Å; N427-S430 WeakPolarHBondContact CA-O 3.44Å; N427-S430 WeakPolarHBondContact CB-O 3.47Å; N427-S430 PolarHBondContact N-O 3.02Å; N427-S430 PolarHBondContact O-N 2.96Å; N427-S430 VanDerWaalsContact O-N 3.11Å; N427-S430 PolarHBondContact O-OG 2.89Å; N427-S432 WeakPolarHBondContact ND2-CB 3.33Å
428N76Confident76Confident71 Ų7153.9 Ų53.938%0.3829%0.287SS..THydrogen-bonded Turntrans47.568.7175.9-167.17.5000113.6M380 A381 H404 S430M380-N428 WeakPolarHBondContact CA-OD1 3.46Å; M380-N428 HydrophobicContact CB-CB 4.43Å; M380-N428 HydrophobicContact SD-CB 3.67Å; M380-N428 VanDerWaalsContact SD-CG 3.57Å; M380-N428 PolarHBondContact SD-ND2 3.34Å; A381-N428 PolarHBondContact N-OD1 3.2Å; A381-N428 CarbonylContact O-C 3.51Å; H404-N428 PolarHBondContact ND1-N 2.9Å; N428-S430 PolarHBondContact O-N 2.89Å; N428-S430 VanDerWaalsContact O-N 3.13Å
429G75.4Confident75.7Confident40 Ų4054.1 Ų54.141%0.41229%0.291SS..THydrogen-bonded Turntrans71.5-2.1-17800000115.6A381 C383A381-G429 PolarHBondContact O-N 3.49Å; C383-G429 VanDerWaalsContact SG-C 3.55Å
430S76.8Confident75.3Confident34 Ų3453.5 Ų53.524%0.23829%0.293CS..EExtended strand (participates in β ladder)trans-129.9140.7-178.969.80000112.2C383 N427 N428 N727C383-S430 PolarHBondContact SG-N 3.13Å; C383-S430 VanDerWaalsContact SG-N 3.43Å; N427-S430 CarbonylContact C-O 3.53Å; N427-S430 VanDerWaalsContact CA-O 3.27Å; N427-S430 WeakPolarHBondContact CA-O 3.44Å; N427-S430 WeakPolarHBondContact CB-O 3.47Å; N427-S430 PolarHBondContact N-O 3.02Å; N427-S430 PolarHBondContact O-N 2.96Å; N427-S430 VanDerWaalsContact O-N 3.11Å; N427-S430 PolarHBondContact O-OG 2.89Å; N428-S430 PolarHBondContact O-N 2.89Å; N428-S430 VanDerWaalsContact O-N 3.13Å; S430-N727 PolarHBondContact OG-ND2 3.01Å
431W78.6Confident74.7Confident22 Ų2252.2 Ų52.28%0.08329%0.287CS..EExtended strand (participates in β ladder)trans-74.8142.5178.1-66.498.5000111.7C383 Q384 M385 P386 V402 V408 P424 C426 H433 N727C383-W431 HydrophobicContact CB-CD2 4.31Å; C383-W431 HydrophobicContact CB-CH2 4.24Å; C383-W431 HydrophobicContact CB-CZ2 3.61Å; Q384-W431 PolarHBondContact O-NE1 2.78Å; M385-W431 HydrophobicContact CE-CH2 4.05Å; M385-W431 HydrophobicContact CE-CZ2 3.89Å; P386-W431 HydrophobicContact CG-CD2 4.47Å; P386-W431 HydrophobicContact CG-CZ2 4.48Å; V402-W431 HydrophobicContact CB-CH2 3.75Å; V402-W431 HydrophobicContact CB-CZ2 4.2Å; V402-W431 HydrophobicContact CG1-CH2 3.9Å; V402-W431 HydrophobicContact CG2-CH2 3.81Å; V402-W431 HydrophobicContact CG2-CZ2 4.16Å; V408-W431 HydrophobicContact CB-CH2 4.43Å; V408-W431 HydrophobicContact CB-CZ3 4.42Å; V408-W431 HydrophobicContact CG1-CH2 3.61Å; V408-W431 HydrophobicContact CG1-CZ3 3.93Å; V408-W431 HydrophobicContact CG2-CE3 4.32Å; V408-W431 HydrophobicContact CG2-CH2 3.9Å; V408-W431 HydrophobicContact CG2-CZ3 3.65Å; P424-W431 HydrophobicContact CB-CD2 4.48Å; P424-W431 HydrophobicContact CB-CE3 3.73Å; P424-W431 HydrophobicContact CB-CZ3 4.35Å; C426-W431 HydrophobicContact CB-CE3 4.47Å; C426-W431 HydrophobicContact CB-CH2 4.29Å; C426-W431 HydrophobicContact CB-CZ3 4.07Å; W431-H433 WeakPolarHBondContact CB-O 3.29Å; W431-H433 PolarHBondContact O-N 2.83Å; W431-N727 PolarHBondContact O-ND2 3.07Å
432S77.4Confident74.5Confident21 Ų2154.2 Ų54.215%0.14728%0.283CS..SBendtrans-55.6-35.5-179.364.50000113V425 N427 S726V425-S432 PolarHBondContact N-OG 2.98Å; V425-S432 PolarHBondContact O-N 3.29Å; N427-S432 WeakPolarHBondContact ND2-CB 3.33Å; S432-S726 PolarHBondContact O-OG 3.24Å
433H75.9Confident73.8Confident27 Ų2755.5 Ų55.513%0.12529%0.286CS..SBendtrans-146.1152.7158.161.1-87.6000108.1Y420 E422 W431Y420-H433 HydrophobicContact CD2-CB 4.01Å; Y420-H433 AromaticContact CD2-CD2 3.33Å; Y420-H433 WeakPolarHBondContact CD2-CD2 3.35Å; Y420-H433 AromaticContact CD2-CG 3.62Å; Y420-H433 AromaticContact CD2-NE2 3.88Å; Y420-H433 HydrophobicContact CE2-CB 3.95Å; Y420-H433 AromaticContact CE2-CD2 3.97Å; E422-H433 PolarHBondContact O-CE1 3.5Å; W431-H433 WeakPolarHBondContact CB-O 3.29Å; W431-H433 PolarHBondContact O-N 2.83Å
434L73Confident73.4Confident111 Ų11162.6 Ų62.658%0.58131%0.309SS*.  trans-73.7124.8171.3-75.7169.2000109.3P386 R436P386-L434 HydrophobicContact CB-CD2 4.47Å; L434-R436 PolarHBondContact O-N 3.28Å
435P71.8Confident73.1Confident10 Ų1063 Ų637%0.06531%0.312CS..  trans-66.3135.7-177.724-32000112P386 L388 I410 P424P386-P435 HydrophobicContact CB-CG 4.19Å; P386-P435 HydrophobicContact CG-CG 3.75Å; L388-P435 HydrophobicContact CD1-CB 4.09Å; L388-P435 HydrophobicContact CD1-CG 4.41Å; I410-P435 HydrophobicContact CD1-CB 3.27Å; I410-P435 HydrophobicContact CD1-CG 3.68Å; P424-P435 HydrophobicContact CG-CB 3.65Å; P424-P435 HydrophobicContact CG-CG 3.94Å
436R78.4Confident72.9Confident138 Ų13866.5 Ų66.552%0.52133%0.325SS..  trans-143.1127.8176.6-73.3166.8175.8165.62.6109.7L418 E419 L434 V438L418-R436 WeakPolarHBondContact CA-O 3.4Å; E419-R436 HydrophobicContact CB-CB 4.2Å; E419-R436 PolarHBondContact N-O 3.33Å; E419-R436 WeakPolarHBondContact OE2-CD 3.3Å; E419-R436 IonicContact OE2-CZ 3.64Å; E419-R436 IonicContact OE2-NE 2.68Å; E419-R436 IonicContact OE2-NH1 2.74Å; E419-R436 PolarHBondContact OE2-NH1 3.19Å; L434-R436 PolarHBondContact O-N 3.28Å; R436-V438 HydrophobicContact CB-CG1 4.19Å
437C81.8Confident72.7Confident12 Ų1270.9 Ų70.98%0.08135%0.354CS..EExtended strand (participates in β ladder)trans-87.3107.4167.7-67.20000108.8N390 C412 H416 E417N390-C437 HydrophobicContact CB-CB 4.12Å; N390-C437 WeakPolarHBondContact O-CB 3.16Å; N390-C437 PolarHBondContact O-SG 2.93Å; N390-C437 VanDerWaalsContact O-SG 3.38Å; C412-C437 WeakPolarHBondContact CA-SG 3.47Å; C412-C437 HydrophobicContact CB-CB 3.65Å; C412-C437 WeakPolarHBondContact CB-SG 3.4Å; C412-C437 WeakPolarHBondContact SG-CA 3.33Å; C412-C437 WeakPolarHBondContact SG-CB 3.48Å; C412-C437 CovalentContact SG-SG 2.04Å; C412-C437 PolarHBondContact SG-SG 3.3Å; H416-C437 HydrophobicContact CB-CB 3.95Å; H416-C437 PolarHBondContact CD2-O 2.02Å; E417-C437 CarbonylContact O-C 3.57Å; E417-C437 WeakPolarHBondContact O-CA 3.45Å
438V71.4Confident73Confident27 Ų2768.9 Ų68.916%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-107.2149-176.7-63.20000111H416 E417 E419 R436 S440H416-V438 CarbonylContact C-O 3.59Å; H416-V438 WeakPolarHBondContact CA-O 3.49Å; E417-V438 HydrophobicContact CG-CG2 4.12Å; E417-V438 PolarHBondContact N-O 3.27Å; E417-V438 PolarHBondContact O-N 2.9Å; E419-V438 HydrophobicContact CB-CG1 3.93Å; E419-V438 HydrophobicContact CB-CG2 4.1Å; E419-V438 HydrophobicContact CG-CG1 4.28Å; R436-V438 HydrophobicContact CB-CG1 4.19Å; V438-S440 PolarHBondContact O-N 2.9Å
439P68.5Low73.3Confident41 Ų4176.2 Ų76.227%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-51.4131.4174.3-31.438.4000112.9R441 H460 F484P439-R441 WeakPolarHBondContact O-CG 3.32Å; P439-H460 HydrophobicContact CB-CB 4.15Å; P439-F484 HydrophobicContact CB-CD1 3.8Å; P439-F484 HydrophobicContact CB-CE1 4.24Å; P439-F484 HydrophobicContact CG-CD1 4.19Å; P439-F484 HydrophobicContact CG-CE1 4.13Å
440S62Low73.7Confident41 Ų4177.1 Ų77.129%0.28736%0.361SS..  trans-60.3149.1-168.3-176.20000115.2F415 E417 V438 G485F415-S440 PolarHBondContact O-N 2.83Å; E417-S440 WeakPolarHBondContact OE2-CA 3.06Å; E417-S440 VanDerWaalsContact OE2-CB 3.27Å; E417-S440 WeakPolarHBondContact OE2-CB 3.35Å; E417-S440 PolarHBondContact OE2-OG 2.88Å; V438-S440 PolarHBondContact O-N 2.9Å; S440-G485 VanDerWaalsContact O-CA 3.24Å; S440-G485 WeakPolarHBondContact O-CA 3.4Å; S440-G485 PolarHBondContact O-N 3.32Å
441R57.9Low74.1Confident89 Ų8975.9 Ų75.934%0.33635%0.354SS..  trans-125.346.5-159.6-59.8176.3-67.8-166.8-3.7115.6E417 L418 E419 P439E417-R441 IonicContact OE1-CZ 3.11Å; E417-R441 IonicContact OE1-NE 2.66Å; E417-R441 PolarHBondContact OE1-NE 3.1Å; E417-R441 IonicContact OE1-NH2 2.79Å; E417-R441 PolarHBondContact OE1-NH2 3.4Å; E417-R441 PolarHBondContact OE2-N 2.96Å; L418-R441 PolarHBondContact O-NH2 2.75Å; L418-R441 VanDerWaalsContact O-NH2 3.16Å; E419-R441 PolarHBondContact O-NH1 2.9Å; E419-R441 PolarHBondContact O-NH2 2.8Å; P439-R441 WeakPolarHBondContact O-CG 3.32Å
442Q62.1Low74.4Confident165 Ų16579.9 Ų79.977%0.77137%0.37SS*.  trans-135.8103.3175.9-91.3-173.717.700117.6
443K59.2Low74.9Confident166 Ų16680.1 Ų80.172%0.72237%0.37SS*.  -177.9146.1125.4-99.6165.5-175.3174.70109.9W487K443-W487 PolarHBondContact O-NE1 2.62Å
444W70.7Confident75.1Confident204 Ų20483.2 Ų83.277%0.77339%0.387SS*.PPolyproline II helixtrans-77142.8167.6-78.339.7000109E446 F455W444-E446 PolarHBondContact O-N 2.85Å; W444-F455 HydrophobicContact CD2-CE2 4.41Å; W444-F455 AromaticContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CE3-CE1 4.18Å; W444-F455 AromaticContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CG-CZ 4.11Å; W444-F455 HydrophobicContact CH2-CZ 4.38Å; W444-F455 HydrophobicContact CZ2-CZ 4.48Å; W444-F455 AromaticContact CZ3-CZ 3.94Å; W444-F455 HydrophobicContact CZ3-CZ 3.94Å
445P75.5Confident75.5Confident8 Ų880.7 Ų80.75%0.05237%0.372CS..PPolyproline II helixtrans-68.8128.9175.129.8-33.1000109.3V453 F455 A464 I480 W487P445-V453 HydrophobicContact CB-CG2 4.21Å; P445-V453 HydrophobicContact CG-CG1 4.28Å; P445-V453 HydrophobicContact CG-CG2 4.03Å; P445-F455 HydrophobicContact CG-CD1 3.44Å; P445-F455 VanDerWaalsContact CG-CD1 3.44Å; P445-F455 HydrophobicContact CG-CE1 3.66Å; P445-F455 HydrophobicContact CG-CG 3.98Å; P445-F455 HydrophobicContact CG-CZ 4.34Å; P445-A464 HydrophobicContact CB-CB 4.06Å; P445-A464 HydrophobicContact CG-CB 3.81Å; P445-I480 HydrophobicContact CB-CD1 4.23Å; P445-W487 HydrophobicContact CB-CD2 4.17Å; P445-W487 HydrophobicContact CB-CG 4.36Å; P445-W487 HydrophobicContact CB-CZ2 4.44Å; P445-W487 HydrophobicContact CG-CZ2 4.1Å
446E79.2Confident75.3Confident117 Ų11784.9 Ų84.955%0.54741%0.407SS..PPolyproline II helixtrans-65.7139.4-179.7-73.3165.5-121.700112W444 F466 R491W444-E446 PolarHBondContact O-N 2.85Å; E446-F466 WeakPolarHBondContact O-CE1 3.16Å; E446-R491 IonicContact OE1-NH2 2.83Å; E446-R491 PolarHBondContact OE1-NH2 3.43Å; E446-R491 IonicContact OE2-CZ 2.69Å; E446-R491 VanDerWaalsContact OE2-CZ 3.24Å; E446-R491 IonicContact OE2-NH1 3.05Å; E446-R491 PolarHBondContact OE2-NH1 2.79Å; E446-R491 IonicContact OE2-NH2 2.66Å; E446-R491 PolarHBondContact OE2-NH2 2.95Å
447P78.7Confident74.8Confident92 Ų9284.6 Ų84.660%0.59741%0.41SS*.PPolyproline II helixtrans-67.2151.4172.929.8-34.8000111.4
448V82.4Confident74.3Confident11 Ų1186.2 Ų86.27%0.06742%0.42CS..PPolyproline II helixtrans-88.6143.8176.2-68.90000110.8N450 G451 F466 R491 P492V448-N450 PolarHBondContact O-N 3.1Å; V448-G451 CarbonylContact O-C 3.51Å; V448-G451 PolarHBondContact O-N 3.31Å; V448-F466 HydrophobicContact CB-CD1 4.39Å; V448-F466 HydrophobicContact CG1-CD1 3.55Å; V448-F466 HydrophobicContact CG1-CE1 3.66Å; V448-F466 HydrophobicContact CG1-CG 4.29Å; V448-F466 HydrophobicContact CG1-CZ 4.46Å; V448-F466 HydrophobicContact CG2-CD1 4.03Å; V448-R491 HydrophobicContact CG1-CG 4.05Å; V448-P492 VanDerWaalsContact CG1-O 3.23Å; V448-P492 WeakPolarHBondContact CG1-O 3.27Å
449R82.7Confident74.1Confident224 Ų22489.4 Ų89.485%0.84543%0.432SS*.THydrogen-bonded Turntrans-60.1133172.3-158.5-179.6-62.9-169.12.9108.4G451 C494R449-G451 VanDerWaalsContact C-N 3.31Å; R449-G451 PolarHBondContact O-N 3.24Å; R449-C494 WeakPolarHBondContact O-CB 2.98Å
450N83.6Confident74.2Confident60 Ų6091.4 Ų91.432%0.32144%0.438SS..THydrogen-bonded Turntrans6229.7-172.7-55.3-23.9000115.3V448 H469 Y472 C494V448-N450 PolarHBondContact O-N 3.1Å; N450-H469 VanDerWaalsContact C-ND1 3.33Å; N450-H469 PolarHBondContact O-N 3.46Å; N450-Y472 HydrophobicContact CB-CD1 3.82Å; N450-Y472 HydrophobicContact CB-CD2 3.98Å; N450-Y472 HydrophobicContact CB-CE1 3.87Å; N450-Y472 HydrophobicContact CB-CE2 4.01Å; N450-Y472 HydrophobicContact CB-CG 3.9Å; N450-Y472 WeakPolarHBondContact ND2-CE1 3.43Å; N450-Y472 VanDerWaalsContact ND2-CZ 3.26Å; N450-Y472 PolarHBondContact ND2-OH 2.71Å; N450-C494 HydrophobicContact CB-CB 3.99Å; N450-C494 WeakPolarHBondContact O-CB 3.23Å; N450-C494 PolarHBondContact O-SG 2.94Å
451G84.4Confident74.7Confident8 Ų891.5 Ų91.58%0.08245%0.446CS..EExtended strand (participates in β ladder)trans-164.2-165.4169.200000113.9V448 R449 V467V448-G451 CarbonylContact O-C 3.51Å; V448-G451 PolarHBondContact O-N 3.31Å; R449-G451 VanDerWaalsContact C-N 3.31Å; R449-G451 PolarHBondContact O-N 3.24Å; G451-V467 CarbonylContact C-O 3.57Å; G451-V467 WeakPolarHBondContact CA-O 3.36Å
452Y86.7Confident75.6Confident105 Ų10587.8 Ų87.841%0.41243%0.434SS..EExtended strand (participates in β ladder)trans-142.7171.9179.359.8-89.7000111.7L454 F466 V467 H469Y452-L454 HydrophobicContact CD2-CD2 4.07Å; Y452-L454 HydrophobicContact CD2-CG 4.15Å; Y452-L454 HydrophobicContact CE2-CD1 4.14Å; Y452-L454 HydrophobicContact CE2-CD2 3.99Å; Y452-L454 HydrophobicContact CE2-CG 4.02Å; Y452-F466 WeakPolarHBondContact O-CA 3.27Å; Y452-V467 HydrophobicContact CD1-CB 4.45Å; Y452-V467 HydrophobicContact CD2-CB 4.25Å; Y452-V467 HydrophobicContact CE1-CB 3.99Å; Y452-V467 HydrophobicContact CE1-CG1 4Å; Y452-V467 HydrophobicContact CE2-CB 3.77Å; Y452-V467 HydrophobicContact CE2-CG1 4.31Å; Y452-V467 HydrophobicContact CE2-CG2 3.94Å; Y452-V467 PolarHBondContact N-O 3.19Å; Y452-V467 PolarHBondContact O-N 3.14Å; Y452-H469 AromaticContact CD1-NE2 3.96Å
453V87.3Confident76.7Confident26 Ų2683.4 Ų83.416%0.15842%0.419CS..EExtended strand (participates in β ladder)trans-129.4139.7-176.565.60000111.5P445 A464 R465 F466P445-V453 HydrophobicContact CB-CG2 4.21Å; P445-V453 HydrophobicContact CG-CG1 4.28Å; P445-V453 HydrophobicContact CG-CG2 4.03Å; V453-A464 HydrophobicContact CG2-CB 3.96Å; V453-R465 CarbonylContact C-O 3.4Å; V453-R465 WeakPolarHBondContact CA-O 3.35Å; V453-F466 HydrophobicContact CB-CD1 3.78Å; V453-F466 HydrophobicContact CB-CE1 3.74Å; V453-F466 HydrophobicContact CG2-CD1 3.83Å; V453-F466 HydrophobicContact CG2-CE1 3.6Å; V453-F466 HydrophobicContact CG2-CG 4.45Å; V453-F466 HydrophobicContact CG2-CZ 4.06Å
454L80.4Confident77.9Confident93 Ų9375.5 Ų75.549%0.48738%0.384SS..EExtended strand (participates in β ladder)trans-120.7123.3-176.2-61.8175.5000110.2Y452 A464 R465 V467Y452-L454 HydrophobicContact CD2-CD2 4.07Å; Y452-L454 HydrophobicContact CD2-CG 4.15Å; Y452-L454 HydrophobicContact CE2-CD1 4.14Å; Y452-L454 HydrophobicContact CE2-CD2 3.99Å; Y452-L454 HydrophobicContact CE2-CG 4.02Å; L454-A464 CarbonylContact O-C 3.52Å; L454-A464 WeakPolarHBondContact O-CA 3.48Å; L454-R465 PolarHBondContact N-O 2.7Å; L454-R465 PolarHBondContact O-N 2.82Å; L454-V467 HydrophobicContact CD1-CG2 4.1Å
455F79.9Confident78.7Confident57 Ų5773 Ų7325%0.2538%0.375CS..  trans-152.7159.5175.366.4-78.9000109.7W444 P445 T458 A464W444-F455 HydrophobicContact CD2-CE2 4.41Å; W444-F455 AromaticContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CD2-CZ 3.66Å; W444-F455 HydrophobicContact CE3-CE1 4.18Å; W444-F455 AromaticContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CE3-CZ 3.57Å; W444-F455 HydrophobicContact CG-CZ 4.11Å; W444-F455 HydrophobicContact CH2-CZ 4.38Å; W444-F455 HydrophobicContact CZ2-CZ 4.48Å; W444-F455 AromaticContact CZ3-CZ 3.94Å; W444-F455 HydrophobicContact CZ3-CZ 3.94Å; P445-F455 HydrophobicContact CG-CD1 3.44Å; P445-F455 VanDerWaalsContact CG-CD1 3.44Å; P445-F455 HydrophobicContact CG-CE1 3.66Å; P445-F455 HydrophobicContact CG-CG 3.98Å; P445-F455 HydrophobicContact CG-CZ 4.34Å; F455-T458 HydrophobicContact CD2-CG2 4.26Å; F455-T458 HydrophobicContact CE2-CG2 3.93Å; F455-A464 HydrophobicContact CB-CB 3.83Å
456A68.7Low79.4Confident99 Ų9972.8 Ų72.882%0.81837%0.373SS*.SBendtrans-123.1-15.2-176.500000114.4
457K68.1Low79.7Confident132 Ų13269.2 Ų69.257%0.57436%0.359SS*.  trans-150.4158.6179.8-58.7-172.3-175.6-178.30109H459 A462K457-H459 VanDerWaalsContact CD-CE1 3.46Å; K457-H459 WeakPolarHBondContact CD-CE1 3.37Å; K457-A462 HydrophobicContact CB-CB 4.44Å; K457-A462 VanDerWaalsContact O-CB 3.26Å; K457-A462 WeakPolarHBondContact O-CB 3.27Å
458T71.1Confident80.1Confident46 Ų4666 Ų6628%0.28234%0.338SS..  trans-117.8-3.3-178.148.90000114.3F455 C482F455-T458 HydrophobicContact CD2-CG2 4.26Å; F455-T458 HydrophobicContact CE2-CG2 3.93Å; T458-C482 PolarHBondContact O-SG 3.02Å
459H67.7Low80.1Confident94 Ų9469.5 Ų69.544%0.43535%0.354SS..SBendtrans-66.8165.3-179.155-158.6000113.8K457 G461 A462 C482K457-H459 VanDerWaalsContact CD-CE1 3.46Å; K457-H459 WeakPolarHBondContact CD-CE1 3.37Å; H459-G461 PolarHBondContact O-N 3.09Å; H459-A462 WeakPolarHBondContact O-CB 3.24Å; H459-A462 PolarHBondContact O-N 2.91Å; H459-C482 WeakPolarHBondContact O-CB 3.46Å
460H69Low79.6Confident82 Ų8264.7 Ų64.738%0.3835%0.351SS..THydrogen-bonded Turntrans-45.8129.7171179.2114.9000110.6P439 F484P439-H460 HydrophobicContact CB-CB 4.15Å; H460-F484 AromaticContact CE1-CD2 3.66Å; H460-F484 AromaticContact CE1-CE2 3.3Å; H460-F484 WeakPolarHBondContact CE1-CE2 3.06Å; H460-F484 AromaticContact CE1-CZ 3.57Å; H460-F484 AromaticContact ND1-CD1 3.8Å; H460-F484 AromaticContact ND1-CD2 3.49Å; H460-F484 WeakPolarHBondContact ND1-CD2 3.17Å; H460-F484 AromaticContact ND1-CE1 3.8Å; H460-F484 AromaticContact ND1-CE2 3.52Å; H460-F484 AromaticContact ND1-CG 3.62Å; H460-F484 AromaticContact ND1-CZ 3.66Å; H460-F484 PolarHBondContact ND1-N 3.37Å
461G74.5Confident78.8Confident44 Ų4462 Ų6245%0.45434%0.339SS..THydrogen-bonded Turntrans91.3-12.9-178.900000115.3H459 C482H459-G461 PolarHBondContact O-N 3.09Å; G461-C482 PolarHBondContact N-O 3.39Å
462A76.4Confident78.8Confident10 Ų1065.1 Ų65.18%0.08335%0.348CS..  trans-61.5153.8177.600000113.1K457 H459 R481 C482 W487K457-A462 HydrophobicContact CB-CB 4.44Å; K457-A462 VanDerWaalsContact O-CB 3.26Å; K457-A462 WeakPolarHBondContact O-CB 3.27Å; H459-A462 WeakPolarHBondContact O-CB 3.24Å; H459-A462 PolarHBondContact O-N 2.91Å; A462-R481 CarbonylContact O-C 3.57Å; A462-R481 VanDerWaalsContact O-CA 3.26Å; A462-R481 WeakPolarHBondContact O-CA 3.3Å; A462-C482 HydrophobicContact CB-CB 4.22Å; A462-C482 PolarHBondContact O-N 2.72Å; A462-W487 HydrophobicContact CB-CH2 4.15Å
463T84Confident78.6Confident74 Ų7464.5 Ų64.545%0.45435%0.349SS..EExtended strand (participates in β ladder)trans-117.8137.7178.851.60000111.4V479 I480 R481T463-V479 HydrophobicContact CG2-CG1 4.07Å; T463-I480 WeakPolarHBondContact CA-O 3.25Å; T463-R481 HydrophobicContact CG2-CG 4.08Å
464A84.5Confident78.6Confident0 Ų066.2 Ų66.20%036%0.357CS..EExtended strand (participates in β ladder)trans-119.6135.7169.400000110.2P445 V453 L454 F455 V479 I480 W487P445-A464 HydrophobicContact CB-CB 4.06Å; P445-A464 HydrophobicContact CG-CB 3.81Å; V453-A464 HydrophobicContact CG2-CB 3.96Å; L454-A464 CarbonylContact O-C 3.52Å; L454-A464 WeakPolarHBondContact O-CA 3.48Å; F455-A464 HydrophobicContact CB-CB 3.83Å; A464-V479 VanDerWaalsContact O-CA 3.27Å; A464-V479 WeakPolarHBondContact O-CA 3.38Å; A464-I480 HydrophobicContact CB-CD1 4.49Å; A464-I480 HydrophobicContact CB-CG1 3.99Å; A464-I480 PolarHBondContact N-O 3.08Å; A464-I480 PolarHBondContact O-N 3.1Å; A464-W487 HydrophobicContact CB-CE3 4.11Å; A464-W487 HydrophobicContact CB-CH2 3.79Å; A464-W487 HydrophobicContact CB-CZ2 4.46Å; A464-W487 HydrophobicContact CB-CZ3 3.59Å
465R87.5Confident78.8Confident151 Ų15167.6 Ų67.657%0.5736%0.359SS*.EExtended strand (participates in β ladder)trans-114.5134-175.7178.3176.2178.2157.41111.7V453 L454 P478 V479V453-R465 CarbonylContact C-O 3.4Å; V453-R465 WeakPolarHBondContact CA-O 3.35Å; L454-R465 PolarHBondContact N-O 2.7Å; L454-R465 PolarHBondContact O-N 2.82Å; R465-P478 CarbonylContact C-O 3.58Å; R465-P478 VanDerWaalsContact CA-O 3.23Å; R465-P478 WeakPolarHBondContact CA-O 3.33Å; R465-V479 HydrophobicContact CB-CG2 4.13Å; R465-V479 HydrophobicContact CG-CG2 4.19Å
466F89.8Confident79.1Confident4 Ų467.1 Ų67.12%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-95.2149.6176.7-63.4-79.2000112.9E446 V448 Y452 V453 L474 P478 I480 R491 P492E446-F466 WeakPolarHBondContact O-CE1 3.16Å; V448-F466 HydrophobicContact CB-CD1 4.39Å; V448-F466 HydrophobicContact CG1-CD1 3.55Å; V448-F466 HydrophobicContact CG1-CE1 3.66Å; V448-F466 HydrophobicContact CG1-CG 4.29Å; V448-F466 HydrophobicContact CG1-CZ 4.46Å; V448-F466 HydrophobicContact CG2-CD1 4.03Å; Y452-F466 WeakPolarHBondContact O-CA 3.27Å; V453-F466 HydrophobicContact CB-CD1 3.78Å; V453-F466 HydrophobicContact CB-CE1 3.74Å; V453-F466 HydrophobicContact CG2-CD1 3.83Å; V453-F466 HydrophobicContact CG2-CE1 3.6Å; V453-F466 HydrophobicContact CG2-CG 4.45Å; V453-F466 HydrophobicContact CG2-CZ 4.06Å; F466-L474 HydrophobicContact CB-CD1 4.26Å; F466-P478 PolarHBondContact N-O 2.8Å; F466-I480 HydrophobicContact CE2-CD1 3.61Å; F466-I480 HydrophobicContact CE2-CG1 3.83Å; F466-I480 HydrophobicContact CE2-CG2 4.07Å; F466-I480 HydrophobicContact CZ-CD1 3.61Å; F466-I480 HydrophobicContact CZ-CG1 4.3Å; F466-R491 HydrophobicContact CZ-CG 4.29Å; F466-P492 HydrophobicContact CB-CG 3.69Å; F466-P492 HydrophobicContact CD1-CG 4.45Å; F466-P492 HydrophobicContact CD2-CG 3.37Å; F466-P492 HydrophobicContact CE2-CG 4.08Å; F466-P492 HydrophobicContact CG-CG 3.58Å
467V86.6Confident80Confident41 Ų4164.9 Ų64.925%0.24835%0.347CS..EExtended strand (participates in β ladder)trans-143.2135.6176.6-171.20000108.9G451 Y452 L454G451-V467 CarbonylContact C-O 3.57Å; G451-V467 WeakPolarHBondContact CA-O 3.36Å; Y452-V467 HydrophobicContact CD1-CB 4.45Å; Y452-V467 HydrophobicContact CD2-CB 4.25Å; Y452-V467 HydrophobicContact CE1-CB 3.99Å; Y452-V467 HydrophobicContact CE1-CG1 4Å; Y452-V467 HydrophobicContact CE2-CB 3.77Å; Y452-V467 HydrophobicContact CE2-CG1 4.31Å; Y452-V467 HydrophobicContact CE2-CG2 3.94Å; Y452-V467 PolarHBondContact N-O 3.19Å; Y452-V467 PolarHBondContact O-N 3.14Å; L454-V467 HydrophobicContact CD1-CG2 4.1Å
468C86.6Confident80.9Confident24 Ų2461.6 Ų61.616%0.16234%0.339CS..EExtended strand (participates in β ladder)trans-86.6158.4176.2-60.50000112.7L474 C494C468-L474 WeakPolarHBondContact SG-CD1 3.3Å; C468-C494 WeakPolarHBondContact CA-SG 3.3Å; C468-C494 HydrophobicContact CB-CB 3.82Å; C468-C494 WeakPolarHBondContact CB-SG 3.36Å; C468-C494 VanDerWaalsContact SG-CA 3.53Å; C468-C494 WeakPolarHBondContact SG-CB 3.34Å; C468-C494 CovalentContact SG-SG 2.04Å; C468-C494 PolarHBondContact SG-SG 2.83Å
469H82.4Confident81.6Confident85 Ų8562.3 Ų62.339%0.39434%0.344SS..PPolyproline II helixtrans-70159.7166.1-62141.3000111.4N450 Y452 Y472N450-H469 VanDerWaalsContact C-ND1 3.33Å; N450-H469 PolarHBondContact O-N 3.46Å; Y452-H469 AromaticContact CD1-NE2 3.96Å; H469-Y472 HydrophobicContact CB-CD2 4.41Å; H469-Y472 PolarHBondContact O-N 3.49Å
470P72.8Confident82.6Confident123 Ų12358.5 Ų58.580%0.79933%0.326SS*.THydrogen-bonded Turntrans-51.9148.3171.5-26.235.8000112.6Y472P470-Y472 WeakPolarHBondContact O-CD2 3.47Å; P470-Y472 PolarHBondContact O-N 3.37Å
471G66.2Low83.3Confident5 Ų557.2 Ų57.25%0.05232%0.318CS..THydrogen-bonded Turntrans80.4-9.2-172.800000115.2K497 E534G471-K497 WeakPolarHBondContact O-CB 3.35Å; G471-K497 PolarHBondContact O-N 2.76Å; G471-E534 WeakPolarHBondContact CA-OE1 3.02Å
472Y84.6Confident83.5Confident73 Ų7355.1 Ų55.129%0.28630%0.297SS..EExtended strand (participates in β ladder)trans-114.8154179.4-63.1-92.1000112.8N450 H469 P470 T495 E496N450-Y472 HydrophobicContact CB-CD1 3.82Å; N450-Y472 HydrophobicContact CB-CD2 3.98Å; N450-Y472 HydrophobicContact CB-CE1 3.87Å; N450-Y472 HydrophobicContact CB-CE2 4.01Å; N450-Y472 HydrophobicContact CB-CG 3.9Å; N450-Y472 WeakPolarHBondContact ND2-CE1 3.43Å; N450-Y472 VanDerWaalsContact ND2-CZ 3.26Å; N450-Y472 PolarHBondContact ND2-OH 2.71Å; H469-Y472 HydrophobicContact CB-CD2 4.41Å; H469-Y472 PolarHBondContact O-N 3.49Å; P470-Y472 WeakPolarHBondContact O-CD2 3.47Å; P470-Y472 PolarHBondContact O-N 3.37Å; Y472-T495 CarbonylContact C-O 3.46Å; Y472-T495 WeakPolarHBondContact CA-O 3.22Å; Y472-E496 HydrophobicContact CD1-CB 4.28Å; Y472-E496 HydrophobicContact CE1-CB 4.04Å; Y472-E496 HydrophobicContact CE1-CG 4.27Å
473Q82.9Confident83.5Confident92 Ų9256.1 Ų56.143%0.4330%0.303SS..EExtended strand (participates in β ladder)trans-121140.1174.654.9175.9-17.200110.8K475 C494 T495 K497Q473-K475 PolarHBondContact O-N 3.03Å; Q473-C494 WeakPolarHBondContact O-CA 3.05Å; Q473-T495 VanDerWaalsContact CG-O 3.28Å; Q473-T495 WeakPolarHBondContact CG-O 3.41Å; Q473-T495 PolarHBondContact N-O 2.8Å; Q473-T495 PolarHBondContact O-N 2.84Å; Q473-T495 PolarHBondContact O-OG1 2.86Å; Q473-K497 HydrophobicContact CB-CG 4.32Å; Q473-K497 HydrophobicContact CG-CG 4.32Å
474L86.3Confident82.7Confident61 Ų6157.4 Ų57.432%0.31930%0.302SS..EExtended strand (participates in β ladder)trans-83.7113.5-175.9-168.477.3000110.7F466 C468 P478 P492F466-L474 HydrophobicContact CB-CD1 4.26Å; C468-L474 WeakPolarHBondContact SG-CD1 3.3Å; L474-P478 HydrophobicContact CD2-CB 3.86Å; L474-P492 HydrophobicContact CD1-CB 3.72Å; L474-P492 HydrophobicContact CD1-CG 3.89Å; L474-P492 HydrophobicContact CD2-CB 4.41Å; L474-P492 HydrophobicContact CG-CB 3.96Å; L474-P492 HydrophobicContact CG-CG 4.45Å
475K85.4Confident81.8Confident123 Ų12357.9 Ų57.954%0.53531%0.307SS..EExtended strand (participates in β ladder)trans-96.8123168.5-67.7-169.3-179.1-178.30110.1Q473 P492 V493 T495Q473-K475 PolarHBondContact O-N 3.03Å; K475-P492 CarbonylContact O-C 3.46Å; K475-P492 VanDerWaalsContact O-CA 3.24Å; K475-P492 WeakPolarHBondContact O-CA 3.47Å; K475-P492 WeakPolarHBondContact O-CB 3.22Å; K475-V493 PolarHBondContact N-O 2.98Å; K475-V493 PolarHBondContact O-N 2.92Å; K475-T495 HydrophobicContact CD-CG2 3.87Å; K475-T495 VanDerWaalsContact CE-OG1 3.32Å; K475-T495 WeakPolarHBondContact CE-OG1 3.36Å; K475-T495 HydrophobicContact CG-CG2 4.31Å
476G86Confident81.2Confident46 Ų4654.5 Ų54.547%0.47430%0.298SS..SBendtrans107.1-179.2179.100000114.2
477P86.9Confident80.7Confident52 Ų5256.2 Ų56.234%0.33830%0.304SS..  trans-68.1130.5-171.5-20.834.1000112.3V479 I490 P492P477-V479 PolarHBondContact O-N 2.87Å; P477-I490 HydrophobicContact CG-CB 4.13Å; P477-P492 WeakPolarHBondContact O-CD 3.45Å; P477-P492 VanDerWaalsContact O-CG 3.31Å; P477-P492 WeakPolarHBondContact O-CG 3.31Å
478P87.1Confident80.4Confident64 Ų6456.2 Ų56.242%0.41630%0.301SS..SBendtrans-74.2-8.2-177.829.2-35.6000114.3R465 F466 L474R465-P478 CarbonylContact C-O 3.58Å; R465-P478 VanDerWaalsContact CA-O 3.23Å; R465-P478 WeakPolarHBondContact CA-O 3.33Å; F466-P478 PolarHBondContact N-O 2.8Å; L474-P478 HydrophobicContact CD2-CB 3.86Å
479V86.8Confident80Confident61 Ų6156.1 Ų56.137%0.3730%0.304SS..EExtended strand (participates in β ladder)trans-141.3128-173.9-178.30000112.6T463 A464 R465 P477T463-V479 HydrophobicContact CG2-CG1 4.07Å; A464-V479 VanDerWaalsContact O-CA 3.27Å; A464-V479 WeakPolarHBondContact O-CA 3.38Å; R465-V479 HydrophobicContact CB-CG2 4.13Å; R465-V479 HydrophobicContact CG-CG2 4.19Å; P477-V479 PolarHBondContact O-N 2.87Å
480I88.3Confident80.1Confident13 Ų1357.3 Ų57.37%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-108.9161.8171.758.1179.1000111.1P445 T463 A464 F466 W487P445-I480 HydrophobicContact CB-CD1 4.23Å; T463-I480 WeakPolarHBondContact CA-O 3.25Å; A464-I480 HydrophobicContact CB-CD1 4.49Å; A464-I480 HydrophobicContact CB-CG1 3.99Å; A464-I480 PolarHBondContact N-O 3.08Å; A464-I480 PolarHBondContact O-N 3.1Å; F466-I480 HydrophobicContact CE2-CD1 3.61Å; F466-I480 HydrophobicContact CE2-CG1 3.83Å; F466-I480 HydrophobicContact CE2-CG2 4.07Å; F466-I480 HydrophobicContact CZ-CD1 3.61Å; F466-I480 HydrophobicContact CZ-CG1 4.3Å; I480-W487 HydrophobicContact CD1-CB 4.06Å; I480-W487 HydrophobicContact CD1-CD2 4.42Å; I480-W487 HydrophobicContact CD1-CE3 4.22Å; I480-W487 HydrophobicContact CD1-CG 4.39Å; I480-W487 HydrophobicContact CG1-CE3 3.94Å
481R83.9Confident80.4Confident55 Ų5557.3 Ų57.321%0.20830%0.296CS..EExtended strand (participates in β ladder)trans-129133.5-177.1-61.1-164.1-175.2-163.40.8113.5A462 T463 K488 F622A462-R481 CarbonylContact O-C 3.57Å; A462-R481 VanDerWaalsContact O-CA 3.26Å; A462-R481 WeakPolarHBondContact O-CA 3.3Å; T463-R481 HydrophobicContact CG2-CG 4.08Å; R481-K488 PolarHBondContact O-N 3.33Å; R481-F622 VanDerWaalsContact NH2-CE2 3.26Å
482C79.4Confident81.4Confident1 Ų157.2 Ų57.21%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-69.1135.7170.4-179.60000110.5T458 H459 G461 A462 E486 W487T458-C482 PolarHBondContact O-SG 3.02Å; H459-C482 WeakPolarHBondContact O-CB 3.46Å; G461-C482 PolarHBondContact N-O 3.39Å; A462-C482 HydrophobicContact CB-CB 4.22Å; A462-C482 PolarHBondContact O-N 2.72Å; C482-E486 CarbonylContact C-O 3.58Å; C482-E486 VanDerWaalsContact CA-O 3.28Å; C482-E486 WeakPolarHBondContact CA-O 3.43Å; C482-W487 HydrophobicContact CB-CD2 4.27Å; C482-W487 HydrophobicContact CB-CE3 4.05Å; C482-W487 HydrophobicContact CB-CH2 4.13Å; C482-W487 HydrophobicContact CB-CZ2 4.35Å; C482-W487 HydrophobicContact CB-CZ3 3.97Å
483S74.5Confident81.5Confident31 Ų3158 Ų5822%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-144.9103177.4-62.80000108.5E486S483-E486 PolarHBondContact N-O 3Å; S483-E486 PolarHBondContact O-N 3.26Å
484F68.6Low81.7Confident101 Ų10153.9 Ų53.944%0.44329%0.288SS..THydrogen-bonded Turntrans54.252.8-176.8-56.1-84.5000113.1P439 H460 E486P439-F484 HydrophobicContact CB-CD1 3.8Å; P439-F484 HydrophobicContact CB-CE1 4.24Å; P439-F484 HydrophobicContact CG-CD1 4.19Å; P439-F484 HydrophobicContact CG-CE1 4.13Å; H460-F484 AromaticContact CE1-CD2 3.66Å; H460-F484 AromaticContact CE1-CE2 3.3Å; H460-F484 WeakPolarHBondContact CE1-CE2 3.06Å; H460-F484 AromaticContact CE1-CZ 3.57Å; H460-F484 AromaticContact ND1-CD1 3.8Å; H460-F484 AromaticContact ND1-CD2 3.49Å; H460-F484 WeakPolarHBondContact ND1-CD2 3.17Å; H460-F484 AromaticContact ND1-CE1 3.8Å; H460-F484 AromaticContact ND1-CE2 3.52Å; H460-F484 AromaticContact ND1-CG 3.62Å; H460-F484 AromaticContact ND1-CZ 3.66Å; H460-F484 PolarHBondContact ND1-N 3.37Å; F484-E486 VanDerWaalsContact C-N 3.3Å; F484-E486 PolarHBondContact O-N 3.24Å
485G65Low81.6Confident10 Ų1052.9 Ų52.910%0.10329%0.285CS..THydrogen-bonded Turntrans89.5-30-179.600000114.6S440S440-G485 VanDerWaalsContact O-CA 3.24Å; S440-G485 WeakPolarHBondContact O-CA 3.4Å; S440-G485 PolarHBondContact O-N 3.32Å
486E74.4Confident81Confident79 Ų7950.4 Ų50.437%0.36928%0.275SS..EExtended strand (participates in β ladder)trans-96.3138.7-173.5-65.2-166.6113.700114.8C482 S483 F484 K488 N629C482-E486 CarbonylContact C-O 3.58Å; C482-E486 VanDerWaalsContact CA-O 3.28Å; C482-E486 WeakPolarHBondContact CA-O 3.43Å; S483-E486 PolarHBondContact N-O 3Å; S483-E486 PolarHBondContact O-N 3.26Å; F484-E486 VanDerWaalsContact C-N 3.3Å; F484-E486 PolarHBondContact O-N 3.24Å; E486-K488 HydrophobicContact CB-CG 4.24Å; E486-K488 PolarHBondContact O-N 3.48Å; E486-K488 VanDerWaalsContact O-N 3.11Å; E486-K488 WeakPolarHBondContact OE2-CE 3.39Å; E486-K488 IonicContact OE2-NZ 2.85Å; E486-K488 PolarHBondContact OE2-NZ 2.82Å; E486-N629 PolarHBondContact OE2-OD1 3.39Å
487W79.4Confident80.5Confident41 Ų4151.1 Ų51.116%0.15527%0.265CS..EExtended strand (participates in β ladder)trans-82.480.2176.2-72.4104.1000112.3K443 P445 A462 A464 I480 C482 G489K443-W487 PolarHBondContact O-NE1 2.62Å; P445-W487 HydrophobicContact CB-CD2 4.17Å; P445-W487 HydrophobicContact CB-CG 4.36Å; P445-W487 HydrophobicContact CB-CZ2 4.44Å; P445-W487 HydrophobicContact CG-CZ2 4.1Å; A462-W487 HydrophobicContact CB-CH2 4.15Å; A464-W487 HydrophobicContact CB-CE3 4.11Å; A464-W487 HydrophobicContact CB-CH2 3.79Å; A464-W487 HydrophobicContact CB-CZ2 4.46Å; A464-W487 HydrophobicContact CB-CZ3 3.59Å; I480-W487 HydrophobicContact CD1-CB 4.06Å; I480-W487 HydrophobicContact CD1-CD2 4.42Å; I480-W487 HydrophobicContact CD1-CE3 4.22Å; I480-W487 HydrophobicContact CD1-CG 4.39Å; I480-W487 HydrophobicContact CG1-CE3 3.94Å; C482-W487 HydrophobicContact CB-CD2 4.27Å; C482-W487 HydrophobicContact CB-CE3 4.05Å; C482-W487 HydrophobicContact CB-CH2 4.13Å; C482-W487 HydrophobicContact CB-CZ2 4.35Å; C482-W487 HydrophobicContact CB-CZ3 3.97Å; W487-G489 PolarHBondContact O-N 2.03Å
488K80.3Confident80.2Confident40 Ų4053.3 Ų53.317%0.17427%0.271CS..EExtended strand (participates in β ladder)trans-78115.4-176.7-59.7-172.5-171.5-79.10111.7R481 E486 R626 D628R481-K488 PolarHBondContact O-N 3.33Å; E486-K488 HydrophobicContact CB-CG 4.24Å; E486-K488 PolarHBondContact O-N 3.48Å; E486-K488 VanDerWaalsContact O-N 3.11Å; E486-K488 WeakPolarHBondContact OE2-CE 3.39Å; E486-K488 IonicContact OE2-NZ 2.85Å; E486-K488 PolarHBondContact OE2-NZ 2.82Å; K488-R626 HydrophobicContact CB-CG 4.48Å; K488-R626 HydrophobicContact CD-CG 4.39Å; K488-D628 WeakPolarHBondContact CD-OD1 3.45Å; K488-D628 IonicContact NZ-OD1 2.61Å; K488-D628 PolarHBondContact NZ-OD1 3.27Å; K488-D628 IonicContact NZ-OD2 3.83Å; K488-D628 PolarHBondContact NZ-OD2 3.07Å
489G79.2Confident80Confident22 Ų2250.3 Ų50.323%0.22725%0.251CS..SBendtrans159.7154.2173.500000113.3W487 R491 K625W487-G489 PolarHBondContact O-N 2.03Å; G489-R491 PolarHBondContact O-N 3.29Å; G489-K625 WeakPolarHBondContact CA-O 3.12Å
490I83Confident79.7Confident111 Ų11150.1 Ų50.157%0.56925%0.251SS*.PPolyproline II helixtrans-62.9123.3176.9-54.3172000109.7P477 K625P477-I490 HydrophobicContact CG-CB 4.13Å; I490-K625 PolarHBondContact N-O 3.22Å
491R80.2Confident79.3Confident122 Ų12250.4 Ų50.446%0.4625%0.252SS..PPolyproline II helixtrans-72.9125.4175.4-167.6-170-61.2-160.12.9109.6E446 V448 F466 G489E446-R491 IonicContact OE1-NH2 2.83Å; E446-R491 PolarHBondContact OE1-NH2 3.43Å; E446-R491 IonicContact OE2-CZ 2.69Å; E446-R491 VanDerWaalsContact OE2-CZ 3.24Å; E446-R491 IonicContact OE2-NH1 3.05Å; E446-R491 PolarHBondContact OE2-NH1 2.79Å; E446-R491 IonicContact OE2-NH2 2.66Å; E446-R491 PolarHBondContact OE2-NH2 2.95Å; V448-R491 HydrophobicContact CG1-CG 4.05Å; F466-R491 HydrophobicContact CZ-CG 4.29Å; G489-R491 PolarHBondContact O-N 3.29Å
492P86.3Confident78.9Confident3 Ų347.8 Ų47.82%0.01924%0.242CC..PPolyproline II helixtrans-77.5164.4178.134.2-37.2000112.2V448 F466 L474 K475 P477V448-P492 VanDerWaalsContact CG1-O 3.23Å; V448-P492 WeakPolarHBondContact CG1-O 3.27Å; F466-P492 HydrophobicContact CB-CG 3.69Å; F466-P492 HydrophobicContact CD1-CG 4.45Å; F466-P492 HydrophobicContact CD2-CG 3.37Å; F466-P492 HydrophobicContact CE2-CG 4.08Å; F466-P492 HydrophobicContact CG-CG 3.58Å; L474-P492 HydrophobicContact CD1-CB 3.72Å; L474-P492 HydrophobicContact CD1-CG 3.89Å; L474-P492 HydrophobicContact CD2-CB 4.41Å; L474-P492 HydrophobicContact CG-CB 3.96Å; L474-P492 HydrophobicContact CG-CG 4.45Å; K475-P492 CarbonylContact O-C 3.46Å; K475-P492 VanDerWaalsContact O-CA 3.24Å; K475-P492 WeakPolarHBondContact O-CA 3.47Å; K475-P492 WeakPolarHBondContact O-CB 3.22Å; P477-P492 WeakPolarHBondContact O-CD 3.45Å; P477-P492 VanDerWaalsContact O-CG 3.31Å; P477-P492 WeakPolarHBondContact O-CG 3.31Å
493V87.2Confident78.7Confident89 Ų8951.1 Ų51.154%0.53926%0.257SS..EExtended strand (participates in β ladder)trans-126.1135.9-178.8-177.20000110.1K475 T495K475-V493 PolarHBondContact N-O 2.98Å; K475-V493 PolarHBondContact O-N 2.92Å; V493-T495 HydrophobicContact CG1-CG2 4.31Å
494C87.9Confident78.9Confident7 Ų754.7 Ų54.75%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-89.8103.2174.7-66.50000110.4R449 N450 C468 Q473R449-C494 WeakPolarHBondContact O-CB 2.98Å; N450-C494 HydrophobicContact CB-CB 3.99Å; N450-C494 WeakPolarHBondContact O-CB 3.23Å; N450-C494 PolarHBondContact O-SG 2.94Å; C468-C494 WeakPolarHBondContact CA-SG 3.3Å; C468-C494 HydrophobicContact CB-CB 3.82Å; C468-C494 WeakPolarHBondContact CB-SG 3.36Å; C468-C494 VanDerWaalsContact SG-CA 3.53Å; C468-C494 WeakPolarHBondContact SG-CB 3.34Å; C468-C494 CovalentContact SG-SG 2.04Å; C468-C494 PolarHBondContact SG-SG 2.83Å; Q473-C494 WeakPolarHBondContact O-CA 3.05Å
495T83.4Confident79.3Confident40 Ų4052.9 Ų52.925%0.24527%0.274CS..EExtended strand (participates in β ladder)trans-97146177.657.20000111.4Y472 Q473 K475 V493Y472-T495 CarbonylContact C-O 3.46Å; Y472-T495 WeakPolarHBondContact CA-O 3.22Å; Q473-T495 VanDerWaalsContact CG-O 3.28Å; Q473-T495 WeakPolarHBondContact CG-O 3.41Å; Q473-T495 PolarHBondContact N-O 2.8Å; Q473-T495 PolarHBondContact O-N 2.84Å; Q473-T495 PolarHBondContact O-OG1 2.86Å; K475-T495 HydrophobicContact CD-CG2 3.87Å; K475-T495 VanDerWaalsContact CE-OG1 3.32Å; K475-T495 WeakPolarHBondContact CE-OG1 3.36Å; K475-T495 HydrophobicContact CG-CG2 4.31Å; V493-T495 HydrophobicContact CG1-CG2 4.31Å
496E73.6Confident79.7Confident71 Ų7152.7 Ų52.733%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-61.8141.3-177.7-157.8-175.8145.700112.3Y472 H498 G533 E534Y472-E496 HydrophobicContact CD1-CB 4.28Å; Y472-E496 HydrophobicContact CE1-CB 4.04Å; Y472-E496 HydrophobicContact CE1-CG 4.27Å; E496-H498 PolarHBondContact O-ND1 3.41Å; E496-H498 VanDerWaalsContact O-ND1 3.15Å; E496-G533 WeakPolarHBondContact OE1-CA 3.24Å; E496-E534 HydrophobicContact CG-CB 4.33Å; E496-E534 PolarHBondContact OE1-N 3.3Å
497K76Confident79.7Confident61 Ų6150.2 Ų50.227%0.26527%0.266SS..PPolyproline II helixtrans-75.8146.3166.3-68.8-173.8175.8-169.40109.5G471 Q473 N558G471-K497 WeakPolarHBondContact O-CB 3.35Å; G471-K497 PolarHBondContact O-N 2.76Å; Q473-K497 HydrophobicContact CB-CG 4.32Å; Q473-K497 HydrophobicContact CG-CG 4.32Å; K497-N558 WeakPolarHBondContact CD-O 3.27Å; K497-N558 PolarHBondContact NZ-OD1 3.32Å
498H80.4Confident79.7Confident97 Ų9753.4 Ų53.445%0.44929%0.287SS..EExtended strand (participates in β ladder)trans-127.2144.2178.9-67.657.7000109.6E496 A531 V532E496-H498 PolarHBondContact O-ND1 3.41Å; E496-H498 VanDerWaalsContact O-ND1 3.15Å; H498-A531 HydrophobicContact CB-CB 3.98Å; H498-V532 CarbonylContact C-O 3.51Å; H498-V532 WeakPolarHBondContact CA-O 3.02Å; H498-V532 WeakPolarHBondContact CB-O 3.33Å
499C82.3Confident79.8Confident2 Ų252.2 Ų52.21%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-79.7145.7169.9-66.60000111.2V532 C556 T560 W561C499-V532 PolarHBondContact N-O 3.23Å; C499-V532 PolarHBondContact O-N 2.84Å; C499-V532 VanDerWaalsContact O-N 3.08Å; C499-C556 HydrophobicContact CB-CB 3.88Å; C499-C556 WeakPolarHBondContact CB-SG 3.23Å; C499-C556 PolarHBondContact N-SG 2.64Å; C499-C556 VanDerWaalsContact N-SG 3.39Å; C499-C556 WeakPolarHBondContact SG-CA 3.14Å; C499-C556 WeakPolarHBondContact SG-CB 3.48Å; C499-C556 CovalentContact SG-SG 2.03Å; C499-C556 PolarHBondContact SG-SG 2.91Å; C499-T560 VanDerWaalsContact SG-C 3.52Å; C499-T560 PolarHBondContact SG-N 3.14Å; C499-T560 VanDerWaalsContact SG-N 3.41Å; C499-T560 PolarHBondContact SG-O 2.87Å; C499-W561 HydrophobicContact CB-CD2 4.27Å; C499-W561 HydrophobicContact CB-CZ2 3.93Å
500P81.1Confident80Confident56 Ų5658.1 Ų58.136%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-66.9161.9172.231.2-37.4000111.5V505 W561P500-V505 HydrophobicContact CB-CG2 4.4Å; P500-V505 HydrophobicContact CG-CG2 3.61Å; P500-W561 PolarHBondContact O-NE1 3.35Å
501H79.5Confident80.2Confident20 Ų2057.4 Ų57.49%0.09330%0.298CS..PPolyproline II helixtrans-53.6131.4-179.2-172.9-81.5000112.5K503 T504 Y525 D527 I529H501-K503 VanDerWaalsContact C-N 3.34Å; H501-K503 PolarHBondContact ND1-N 3.48Å; H501-K503 PolarHBondContact O-N 3.13Å; H501-K503 VanDerWaalsContact O-N 3.16Å; H501-T504 HydrophobicContact CB-CG2 4.12Å; H501-T504 PolarHBondContact O-N 2.79Å; H501-T504 PolarHBondContact O-OG1 2.86Å; H501-Y525 AromaticContact CD2-CE1 3.53Å; H501-Y525 AromaticContact NE2-CD1 3.74Å; H501-Y525 AromaticContact NE2-CE1 3.32Å; H501-Y525 VanDerWaalsContact NE2-CE1 3.32Å; H501-Y525 WeakPolarHBondContact NE2-CE1 3.27Å; H501-D527 IonicContact CE1-OD1 3.24Å; H501-D527 PolarHBondContact CE1-OD1 2.83Å; H501-D527 WeakPolarHBondContact NE2-CA 3.23Å; H501-D527 IonicContact NE2-OD1 2.89Å; H501-I529 PolarHBondContact CD2-O 2.78Å; H501-I529 VanDerWaalsContact CD2-O 3.31Å
502P74.7Confident80.4Confident0 Ų052.2 Ų52.20%028%0.282CS..THydrogen-bonded Turntrans-51.5-46-173-3035.4000114.5T504 V505 I506 I514 Y525 I538 W561P502-T504 PolarHBondContact O-N 2.99Å; P502-T504 VanDerWaalsContact O-N 3.12Å; P502-V505 PolarHBondContact O-N 2.82Å; P502-I506 WeakPolarHBondContact O-CB 3.36Å; P502-I506 PolarHBondContact O-N 2.74Å; P502-I514 HydrophobicContact CB-CD1 3.98Å; P502-I514 HydrophobicContact CB-CG2 4.28Å; P502-Y525 WeakPolarHBondContact CD-OH 3.16Å; P502-Y525 HydrophobicContact CG-CD2 3.91Å; P502-Y525 HydrophobicContact CG-CE1 4.26Å; P502-Y525 HydrophobicContact CG-CE2 3.55Å; P502-Y525 HydrophobicContact CG-CG 4.4Å; P502-I538 HydrophobicContact CB-CD1 3.76Å; P502-I538 HydrophobicContact CG-CD1 3.76Å; P502-I538 HydrophobicContact CG-CG2 4.21Å; P502-W561 HydrophobicContact CG-CH2 4.32Å; P502-W561 HydrophobicContact CG-CZ2 3.72Å
503K76.3Confident80.4Confident70 Ų7054.5 Ų54.530%0.30429%0.294SS..Hα-helixtrans-57.9-25.3178.1-60.2-177.7-170.5169.40113.9H501 V505 G507 I514 D527H501-K503 VanDerWaalsContact C-N 3.34Å; H501-K503 PolarHBondContact ND1-N 3.48Å; H501-K503 PolarHBondContact O-N 3.13Å; H501-K503 VanDerWaalsContact O-N 3.16Å; K503-V505 VanDerWaalsContact C-N 3.33Å; K503-G507 VanDerWaalsContact O-CA 3.23Å; K503-G507 WeakPolarHBondContact O-CA 3.47Å; K503-G507 PolarHBondContact O-N 2.67Å; K503-G507 VanDerWaalsContact O-N 3.09Å; K503-I514 HydrophobicContact CG-CD1 4.18Å; K503-D527 WeakPolarHBondContact CD-OD1 3.46Å; K503-D527 WeakPolarHBondContact CE-OD1 3.47Å; K503-D527 IonicContact NZ-OD1 2.75Å; K503-D527 PolarHBondContact NZ-OD1 3.49Å; K503-D527 IonicContact NZ-OD2 3.14Å; K503-D527 PolarHBondContact NZ-OD2 2.93Å
504T78.2Confident80.4Confident106 Ų10651 Ų5165%0.6527%0.272SS*.Hα-helixtrans-82.3-9.6179.869.20000113.7H501 P502H501-T504 HydrophobicContact CB-CG2 4.12Å; H501-T504 PolarHBondContact O-N 2.79Å; H501-T504 PolarHBondContact O-OG1 2.86Å; P502-T504 PolarHBondContact O-N 2.99Å; P502-T504 VanDerWaalsContact O-N 3.12Å
505V76.1Confident80.2Confident63 Ų6352.5 Ų52.538%0.38228%0.278SS..Hα-helixtrans-115.7-39177.7-175.50000111.2P500 P502 K503 N564P500-V505 HydrophobicContact CB-CG2 4.4Å; P500-V505 HydrophobicContact CG-CG2 3.61Å; P502-V505 PolarHBondContact O-N 2.82Å; K503-V505 VanDerWaalsContact C-N 3.33Å; V505-N564 WeakPolarHBondContact CG1-OD1 3.36Å
506I75Confident80.1Confident7 Ų751.9 Ų51.94%0.03627%0.273CS..Hα-helixtrans-97.9-21.2-173.2-55.3-179.4000111.4P502 I538 F540 R566P502-I506 WeakPolarHBondContact O-CB 3.36Å; P502-I506 PolarHBondContact O-N 2.74Å; I506-I538 HydrophobicContact CD1-CD1 4.05Å; I506-F540 HydrophobicContact CD1-CE1 3.84Å; I506-F540 HydrophobicContact CD1-CZ 3.66Å; I506-F540 HydrophobicContact CG2-CE1 4.46Å; I506-R566 HydrophobicContact CG2-CB 4.12Å; I506-R566 HydrophobicContact CG2-CG 4.04Å; I506-R566 WeakPolarHBondContact O-CD 3.32Å; I506-R566 VanDerWaalsContact O-CG 3.3Å; I506-R566 WeakPolarHBondContact O-CG 3.39Å; I506-R566 PolarHBondContact O-NE 2.76Å
507G74.3Confident80.2Confident26 Ų2650.3 Ų50.327%0.26827%0.266SS..  trans73.7-170.8-169.500000112.8K503K503-G507 VanDerWaalsContact O-CA 3.23Å; K503-G507 WeakPolarHBondContact O-CA 3.47Å; K503-G507 PolarHBondContact O-N 2.67Å; K503-G507 VanDerWaalsContact O-N 3.09Å
508N78.7Confident79.8Confident109 Ų10948.9 Ų48.958%0.58327%0.268SS*.  trans-79.7150.7169.6-68.9-20000110.3R566N508-R566 PolarHBondContact O-NE 2.88Å; N508-R566 PolarHBondContact O-NH2 2.73Å
509I82.3Confident79Confident14 Ų1450.4 Ų50.47%0.07229%0.29CS..  trans-101.2112.4172.8-58.7166.5000106.8H511 G512 I514 F540 P567I509-H511 PolarHBondContact O-N 2.91Å; I509-G512 PolarHBondContact O-N 2.85Å; I509-G512 VanDerWaalsContact O-O 3.08Å; I509-I514 HydrophobicContact CD1-CG1 4.1Å; I509-F540 HydrophobicContact CD1-CB 4.12Å; I509-F540 HydrophobicContact CD1-CD1 3.51Å; I509-F540 HydrophobicContact CD1-CE1 4.3Å; I509-F540 HydrophobicContact CD1-CG 4.12Å; I509-P567 HydrophobicContact CD1-CG 3.86Å; I509-P567 HydrophobicContact CG1-CG 4.48Å
510E84Confident78Confident146 Ų14657.5 Ų57.568%0.68233%0.326SS*.THydrogen-bonded Turntrans-60.5132.9172.3-76.4162.3-154.500109.2G512 C569E510-G512 PolarHBondContact O-N 3.03Å; E510-G512 VanDerWaalsContact O-N 3.11Å; E510-C569 WeakPolarHBondContact O-CB 3.19Å
511H86.5Confident77.2Confident97 Ų9756.6 Ų56.645%0.44933%0.327SS..THydrogen-bonded Turntrans53.622.8-171.6-52.4-73.5000115.4I509 H543 Y546 C569I509-H511 PolarHBondContact O-N 2.91Å; H511-H543 PolarHBondContact O-N 2.9Å; H511-H543 PolarHBondContact O-ND1 2.84Å; H511-Y546 HydrophobicContact CB-CD1 3.63Å; H511-Y546 HydrophobicContact CB-CD2 3.96Å; H511-Y546 HydrophobicContact CB-CE1 3.7Å; H511-Y546 HydrophobicContact CB-CE2 4.04Å; H511-Y546 HydrophobicContact CB-CG 3.78Å; H511-Y546 AromaticContact CD2-CE1 3.46Å; H511-Y546 VanDerWaalsContact CD2-CE1 3.46Å; H511-Y546 WeakPolarHBondContact CD2-CE1 3.5Å; H511-Y546 AromaticContact CD2-CZ 3.8Å; H511-Y546 AromaticContact CE1-CZ 3.72Å; H511-Y546 PolarHBondContact CE1-OH 2.71Å; H511-Y546 AromaticContact CG-CD1 3.87Å; H511-Y546 AromaticContact CG-CE1 3.37Å; H511-Y546 AromaticContact CG-CE2 3.92Å; H511-Y546 AromaticContact CG-CZ 3.41Å; H511-Y546 VanDerWaalsContact CG-CZ 3.41Å; H511-Y546 AromaticContact ND1-CE1 3.84Å; H511-Y546 AromaticContact ND1-CE2 3.76Å; H511-Y546 AromaticContact ND1-CZ 3.36Å; H511-Y546 PolarHBondContact ND1-OH 3.02Å; H511-Y546 AromaticContact NE2-CE1 3.98Å; H511-Y546 AromaticContact NE2-CZ 3.98Å; H511-C569 HydrophobicContact CB-CB 4Å; H511-C569 PolarHBondContact O-SG 2.82Å
512G84.4Confident76.7Confident13 Ų1358.6 Ų58.613%0.13434%0.344CS..EExtended strand (participates in β ladder)trans-139.7175.5174.100000114.8I509 E510 E541 H543I509-G512 PolarHBondContact O-N 2.85Å; I509-G512 VanDerWaalsContact O-O 3.08Å; E510-G512 PolarHBondContact O-N 3.03Å; E510-G512 VanDerWaalsContact O-N 3.11Å; G512-E541 CarbonylContact C-O 3.56Å; G512-E541 WeakPolarHBondContact CA-O 3.15Å; G512-H543 PolarHBondContact N-ND1 3.12Å
513L86.9Confident76.9Confident51 Ų5164.5 Ų64.527%0.26737%0.367SS..EExtended strand (participates in β ladder)trans-144.7155.8-17957.986.3000111.3K515 E541L513-K515 HydrophobicContact CD1-CD 4.35Å; L513-K515 HydrophobicContact CD1-CG 3.87Å; L513-E541 HydrophobicContact CD1-CB 3.87Å; L513-E541 HydrophobicContact CG-CB 4.38Å; L513-E541 PolarHBondContact N-O 3.18Å; L513-E541 PolarHBondContact O-N 3.47Å
514I86.9Confident77Confident14 Ų1466.3 Ų66.37%0.07238%0.376CS..EExtended strand (participates in β ladder)trans-104.8131.3-177.9-53.4175.7000108.1P502 K503 I509 Y525 I538 F540P502-I514 HydrophobicContact CB-CD1 3.98Å; P502-I514 HydrophobicContact CB-CG2 4.28Å; K503-I514 HydrophobicContact CG-CD1 4.18Å; I509-I514 HydrophobicContact CD1-CG1 4.1Å; I514-Y525 HydrophobicContact CG2-CD2 4.44Å; I514-Y525 HydrophobicContact CG2-CG 4.4Å; I514-Y525 WeakPolarHBondContact O-CB 3.36Å; I514-Y525 PolarHBondContact O-N 3.07Å; I514-I538 HydrophobicContact CG2-CB 4.25Å; I514-I538 HydrophobicContact CG2-CD1 4.2Å; I514-F540 HydrophobicContact CG1-CD1 4.16Å; I514-F540 HydrophobicContact CG1-CE1 4.38Å; I514-F540 HydrophobicContact CG2-CD1 4.46Å; I514-F540 HydrophobicContact CG2-CE1 4.4Å
515K84.6Confident76.9Confident39 Ų3961.6 Ų61.617%0.1735%0.347CS..EExtended strand (participates in β ladder)trans-113.2140.3172.3-67.9-175-179.7170.60111.2L513 Y523 I538 A539 E541L513-K515 HydrophobicContact CD1-CD 4.35Å; L513-K515 HydrophobicContact CD1-CG 3.87Å; K515-Y523 CarbonylContact C-O 3.56Å; K515-Y523 WeakPolarHBondContact CA-O 3.18Å; K515-Y523 WeakPolarHBondContact CB-O 3.45Å; K515-I538 CarbonylContact O-C 3.58Å; K515-I538 WeakPolarHBondContact O-CA 3.19Å; K515-I538 WeakPolarHBondContact O-CB 3.47Å; K515-A539 PolarHBondContact N-O 3.49Å; K515-A539 PolarHBondContact O-N 3.12Å; K515-E541 VanDerWaalsContact CE-OE1 3.32Å; K515-E541 WeakPolarHBondContact CE-OE1 3.4Å; K515-E541 VanDerWaalsContact CE-OE2 3.31Å; K515-E541 WeakPolarHBondContact CE-OE2 3.24Å; K515-E541 IonicContact NZ-OE1 3.63Å; K515-E541 PolarHBondContact NZ-OE1 3.39Å; K515-E541 IonicContact NZ-OE2 2.69Å; K515-E541 PolarHBondContact NZ-OE2 2.96Å
516L79.9Confident77Confident28 Ų2862.5 Ų62.515%0.14735%0.346CS..EExtended strand (participates in β ladder)trans-83.6129.2164.7-176.867.9000108.8S522 Y523 Y525 I529 I538L516-S522 WeakPolarHBondContact O-CA 3.34Å; L516-Y523 PolarHBondContact N-O 3.1Å; L516-Y523 PolarHBondContact O-N 2.9Å; L516-Y525 HydrophobicContact CB-CD2 3.88Å; L516-Y525 HydrophobicContact CB-CE2 4.44Å; L516-Y525 HydrophobicContact CD1-CD2 4.31Å; L516-Y525 HydrophobicContact CD1-CE2 4.1Å; L516-I529 HydrophobicContact CD2-CD1 4.16Å; L516-I538 HydrophobicContact CD1-CG2 4.07Å
517E76.7Confident77Confident38 Ų3866.8 Ų66.818%0.17837%0.369CS..EExtended strand (participates in β ladder)trans-86.9124.8171.6-62.5-173136.100109.6T537 A539 R553E517-T537 WeakPolarHBondContact CB-OG1 3.37Å; E517-T537 PolarHBondContact N-O 3.03Å; E517-T537 VanDerWaalsContact N-O 3.09Å; E517-T537 WeakPolarHBondContact OE2-CB 3.47Å; E517-T537 PolarHBondContact OE2-OG1 2.63Å; E517-A539 HydrophobicContact CG-CB 4.17Å; E517-R553 VanDerWaalsContact CD-NE 3.32Å; E517-R553 IonicContact OE1-CZ 2.65Å; E517-R553 IonicContact OE1-NE 2.7Å; E517-R553 PolarHBondContact OE1-NE 3.39Å; E517-R553 IonicContact OE1-NH2 3.09Å; E517-R553 PolarHBondContact OE1-NH2 2.96Å; E517-R553 IonicContact OE2-CZ 3.41Å; E517-R553 IonicContact OE2-NE 2.66Å; E517-R553 PolarHBondContact OE2-NE 2.91Å; E517-R553 VanDerWaalsContact OE2-NE 3.14Å; E517-R553 IonicContact OE2-NH2 2.73Å
518G66.3Low77.1Confident31 Ų3174.2 Ų74.232%0.3239%0.39SS..EExtended strand (participates in β ladder)trans-127.1167.6177.100000111.9L520 G521G518-L520 PolarHBondContact O-N 2.71Å; G518-G521 PolarHBondContact N-O 2.8Å; G518-G521 PolarHBondContact O-N 3.41Å; G518-G521 VanDerWaalsContact O-N 3.1Å
519S64.5Low76.8Confident129 Ų12970.7 Ų70.790%0.90237%0.371SS*.THydrogen-bonded Turntrans-65.21.7178.356.70000115.1
520L61.7Low76.2Confident150 Ų15080.6 Ų80.679%0.78541%0.407SS*.THydrogen-bonded Turntrans-123.4-0.2-179.6-66.9166.7000112.5G518 Y523G518-L520 PolarHBondContact O-N 2.71Å; L520-Y523 HydrophobicContact CB-CE2 4.27Å; L520-Y523 WeakPolarHBondContact CB-OH 3.43Å; L520-Y523 PolarHBondContact O-OH 3.49Å; L520-Y523 VanDerWaalsContact O-OH 3.14Å
521G63.2Low75.5Confident37 Ų3776.1 Ų76.138%0.38140%0.395SS..EExtended strand (participates in β ladder)trans135.6-176.1-177.400000113.6G518 Y523G518-G521 PolarHBondContact N-O 2.8Å; G518-G521 PolarHBondContact O-N 3.41Å; G518-G521 VanDerWaalsContact O-N 3.1Å; G521-Y523 WeakPolarHBondContact O-CE2 3.42Å
522S69Low75Confident63 Ų6371.8 Ų71.844%0.44138%0.376SS..EExtended strand (participates in β ladder)trans-98.9123.3173.658.40000110.8L516L516-S522 WeakPolarHBondContact O-CA 3.34Å
523Y78.9Confident74.5Confident123 Ų12371.8 Ų71.848%0.48238%0.376SS..EExtended strand (participates in β ladder)trans-116.7144.6-176.5-57-79000110.6K515 L516 L520 G521 Y525K515-Y523 CarbonylContact C-O 3.56Å; K515-Y523 WeakPolarHBondContact CA-O 3.18Å; K515-Y523 WeakPolarHBondContact CB-O 3.45Å; L516-Y523 PolarHBondContact N-O 3.1Å; L516-Y523 PolarHBondContact O-N 2.9Å; L520-Y523 HydrophobicContact CB-CE2 4.27Å; L520-Y523 WeakPolarHBondContact CB-OH 3.43Å; L520-Y523 PolarHBondContact O-OH 3.49Å; L520-Y523 VanDerWaalsContact O-OH 3.14Å; G521-Y523 WeakPolarHBondContact O-CE2 3.42Å; Y523-Y525 PolarHBondContact O-N 2.98Å
524E79.3Confident73.9Confident108 Ų10870.5 Ų70.551%0.50537%0.368SS..EExtended strand (participates in β ladder)trans-54.5127173-167-154.1133.900110.9K526E524-K526 PolarHBondContact O-N 3.26Å; E524-K526 VanDerWaalsContact O-N 3.11Å; E524-K526 WeakPolarHBondContact OE1-CE 3.29Å; E524-K526 IonicContact OE1-NZ 2.68Å; E524-K526 PolarHBondContact OE1-NZ 3.06Å; E524-K526 WeakPolarHBondContact OE2-CE 3.08Å; E524-K526 IonicContact OE2-NZ 2.78Å; E524-K526 PolarHBondContact OE2-NZ 2.88Å
525Y75.6Confident73.4Confident7 Ų777 Ų773%0.02740%0.398CS..  trans-74.3104.4-175-164.4-63000110.4H501 P502 I514 L516 Y523 I529 V532 I538H501-Y525 AromaticContact CD2-CE1 3.53Å; H501-Y525 AromaticContact NE2-CD1 3.74Å; H501-Y525 AromaticContact NE2-CE1 3.32Å; H501-Y525 VanDerWaalsContact NE2-CE1 3.32Å; H501-Y525 WeakPolarHBondContact NE2-CE1 3.27Å; P502-Y525 WeakPolarHBondContact CD-OH 3.16Å; P502-Y525 HydrophobicContact CG-CD2 3.91Å; P502-Y525 HydrophobicContact CG-CE1 4.26Å; P502-Y525 HydrophobicContact CG-CE2 3.55Å; P502-Y525 HydrophobicContact CG-CG 4.4Å; I514-Y525 HydrophobicContact CG2-CD2 4.44Å; I514-Y525 HydrophobicContact CG2-CG 4.4Å; I514-Y525 WeakPolarHBondContact O-CB 3.36Å; I514-Y525 PolarHBondContact O-N 3.07Å; L516-Y525 HydrophobicContact CB-CD2 3.88Å; L516-Y525 HydrophobicContact CB-CE2 4.44Å; L516-Y525 HydrophobicContact CD1-CD2 4.31Å; L516-Y525 HydrophobicContact CD1-CE2 4.1Å; Y523-Y525 PolarHBondContact O-N 2.98Å; Y525-I529 HydrophobicContact CE1-CB 3.68Å; Y525-I529 HydrophobicContact CE1-CD1 4.36Å; Y525-I529 HydrophobicContact CE1-CG1 4.48Å; Y525-I529 HydrophobicContact CE1-CG2 4.22Å; Y525-I529 HydrophobicContact CE2-CG2 4.44Å; Y525-I529 VanDerWaalsContact OH-CG2 3.3Å; Y525-I529 WeakPolarHBondContact OH-CG2 3.4Å; Y525-I529 PolarHBondContact OH-O 2.75Å; Y525-V532 HydrophobicContact CE2-CG2 3.94Å; Y525-V532 WeakPolarHBondContact OH-CG2 3.33Å; Y525-I538 HydrophobicContact CD2-CG2 3.91Å; Y525-I538 HydrophobicContact CE2-CG2 4.01Å
526K77.5Confident73.3Confident82 Ų8281.2 Ų81.236%0.35741%0.413SS..  trans-85.3144.8-179.3-60.9-60.2-177.9-177.90112.9E524 Y528 I529E524-K526 PolarHBondContact O-N 3.26Å; E524-K526 VanDerWaalsContact O-N 3.11Å; E524-K526 WeakPolarHBondContact OE1-CE 3.29Å; E524-K526 IonicContact OE1-NZ 2.68Å; E524-K526 PolarHBondContact OE1-NZ 3.06Å; E524-K526 WeakPolarHBondContact OE2-CE 3.08Å; E524-K526 IonicContact OE2-NZ 2.78Å; E524-K526 PolarHBondContact OE2-NZ 2.88Å; K526-Y528 HydrophobicContact CB-CD1 3.62Å; K526-Y528 HydrophobicContact CB-CE1 3.36Å; K526-Y528 HydrophobicContact CB-CG 4.47Å; K526-Y528 HydrophobicContact CG-CE1 3.87Å; K526-Y528 PolarHBondContact O-N 3.05Å; K526-I529 WeakPolarHBondContact O-CG1 3.37Å; K526-I529 PolarHBondContact O-N 2.87Å
527D74.9Confident73.5Confident98 Ų9881.7 Ų81.752%0.52442%0.417SS..THydrogen-bonded Turntrans-66.3-9.6-172.4-62.1-76.4000115.8H501 K503 I529H501-D527 IonicContact CE1-OD1 3.24Å; H501-D527 PolarHBondContact CE1-OD1 2.83Å; H501-D527 WeakPolarHBondContact NE2-CA 3.23Å; H501-D527 IonicContact NE2-OD1 2.89Å; K503-D527 WeakPolarHBondContact CD-OD1 3.46Å; K503-D527 WeakPolarHBondContact CE-OD1 3.47Å; K503-D527 IonicContact NZ-OD1 2.75Å; K503-D527 PolarHBondContact NZ-OD1 3.49Å; K503-D527 IonicContact NZ-OD2 3.14Å; K503-D527 PolarHBondContact NZ-OD2 2.93Å; D527-I529 VanDerWaalsContact C-N 3.26Å; D527-I529 PolarHBondContact O-N 3.42Å
528Y78.1Confident74Confident182 Ų18279.9 Ų79.971%0.71441%0.408SS*.THydrogen-bonded Turntrans-73.5-15.2171.766.4-106.5000113.4K526 R530K526-Y528 HydrophobicContact CB-CD1 3.62Å; K526-Y528 HydrophobicContact CB-CE1 3.36Å; K526-Y528 HydrophobicContact CB-CG 4.47Å; K526-Y528 HydrophobicContact CG-CE1 3.87Å; K526-Y528 PolarHBondContact O-N 3.05Å; Y528-R530 VanDerWaalsContact C-N 3.26Å; Y528-R530 PolarHBondContact O-N 3Å
529I71.5Confident74.9Confident35 Ų3579.2 Ų79.218%0.17940%0.4CS..  trans-82.672.7-177.2-50171.8000109.5H501 L516 Y525 K526 D527 A531 V532H501-I529 PolarHBondContact CD2-O 2.78Å; H501-I529 VanDerWaalsContact CD2-O 3.31Å; L516-I529 HydrophobicContact CD2-CD1 4.16Å; Y525-I529 HydrophobicContact CE1-CB 3.68Å; Y525-I529 HydrophobicContact CE1-CD1 4.36Å; Y525-I529 HydrophobicContact CE1-CG1 4.48Å; Y525-I529 HydrophobicContact CE1-CG2 4.22Å; Y525-I529 HydrophobicContact CE2-CG2 4.44Å; Y525-I529 VanDerWaalsContact OH-CG2 3.3Å; Y525-I529 WeakPolarHBondContact OH-CG2 3.4Å; Y525-I529 PolarHBondContact OH-O 2.75Å; K526-I529 WeakPolarHBondContact O-CG1 3.37Å; K526-I529 PolarHBondContact O-N 2.87Å; D527-I529 VanDerWaalsContact C-N 3.26Å; D527-I529 PolarHBondContact O-N 3.42Å; I529-A531 PolarHBondContact O-N 2.84Å; I529-V532 HydrophobicContact CG2-CG2 4.47Å
530R68.9Low76.1Confident222 Ų22273.6 Ų73.684%0.83836%0.359SS*.  trans-61.1-22.6-171.6-65.7-178.5-179-173.4-0.4115.4Y528Y528-R530 VanDerWaalsContact C-N 3.26Å; Y528-R530 PolarHBondContact O-N 3Å
531A70.5Confident77.2Confident51 Ų5170.7 Ų70.742%0.42134%0.341SS..EExtended strand (participates in β ladder)trans-151.9143.3-174.500000110.3H498 I529H498-A531 HydrophobicContact CB-CB 3.98Å; I529-A531 PolarHBondContact O-N 2.84Å
532V76.1Confident78.4Confident7 Ų770 Ų704%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-119.7131.6179.2-175.20000110.2H498 C499 Y525 I529 R536 W561H498-V532 CarbonylContact C-O 3.51Å; H498-V532 WeakPolarHBondContact CA-O 3.02Å; H498-V532 WeakPolarHBondContact CB-O 3.33Å; C499-V532 PolarHBondContact N-O 3.23Å; C499-V532 PolarHBondContact O-N 2.84Å; C499-V532 VanDerWaalsContact O-N 3.08Å; Y525-V532 HydrophobicContact CE2-CG2 3.94Å; Y525-V532 WeakPolarHBondContact OH-CG2 3.33Å; I529-V532 HydrophobicContact CG2-CG2 4.47Å; V532-R536 HydrophobicContact CG1-CB 3.36Å; V532-R536 HydrophobicContact CG1-CG 3.74Å; V532-W561 HydrophobicContact CB-CH2 3.92Å; V532-W561 HydrophobicContact CB-CZ2 3.97Å; V532-W561 HydrophobicContact CG1-CH2 3.85Å; V532-W561 HydrophobicContact CG1-CZ2 4.42Å; V532-W561 HydrophobicContact CG2-CH2 3.89Å; V532-W561 HydrophobicContact CG2-CZ2 3.78Å
533G73.1Confident79.4Confident13 Ų1371.5 Ų71.513%0.13433%0.331CS..EExtended strand (participates in β ladder)trans-66.9163.5177.700000114.2E496 R536 C556E496-G533 WeakPolarHBondContact OE1-CA 3.24Å; G533-R536 WeakPolarHBondContact O-CB 3.47Å; G533-R536 VanDerWaalsContact O-CG 3.31Å; G533-R536 WeakPolarHBondContact O-CG 3.38Å; G533-R536 PolarHBondContact O-N 2.96Å; G533-C556 WeakPolarHBondContact O-CB 3.44Å
534E73.8Confident79.5Confident24 Ų2477.6 Ų77.611%0.11235%0.353CS..THydrogen-bonded Turntrans-62.9145.5-178.1-168.790.1154.800111G471 E496 R536 N558 G559G471-E534 WeakPolarHBondContact CA-OE1 3.02Å; E496-E534 HydrophobicContact CG-CB 4.33Å; E496-E534 PolarHBondContact OE1-N 3.3Å; E534-R536 PolarHBondContact O-N 2.85Å; E534-N558 VanDerWaalsContact OE1-CA 3.24Å; E534-N558 WeakPolarHBondContact OE1-CA 3.36Å; E534-N558 PolarHBondContact OE1-N 2.72Å; E534-N558 WeakPolarHBondContact OE2-CA 3.19Å; E534-N558 PolarHBondContact OE2-N 2.91Å; E534-G559 PolarHBondContact OE2-N 2.83Å
535H78.1Confident79.4Confident151 Ų15174.3 Ų74.370%0.69935%0.347SS*.THydrogen-bonded Turntrans66-0.3-176.9-45.988.3000116.6C556H535-C556 WeakPolarHBondContact CA-O 3.32Å; H535-C556 PolarHBondContact N-O 2.88Å
536R81.4Confident79.9Confident127 Ų12777.1 Ų77.148%0.47936%0.359SS..  trans-68.4145.7171-69.3-77.7-171.7144.12.1111.5V532 G533 E534 T555 C556V532-R536 HydrophobicContact CG1-CB 3.36Å; V532-R536 HydrophobicContact CG1-CG 3.74Å; G533-R536 WeakPolarHBondContact O-CB 3.47Å; G533-R536 VanDerWaalsContact O-CG 3.31Å; G533-R536 WeakPolarHBondContact O-CG 3.38Å; G533-R536 PolarHBondContact O-N 2.96Å; E534-R536 PolarHBondContact O-N 2.85Å; R536-T555 CarbonylContact O-C 3.58Å; R536-T555 WeakPolarHBondContact O-CA 3.3Å; R536-C556 PolarHBondContact O-N 2.76Å
537T84.8Confident80Confident37 Ų3776.5 Ų76.523%0.22736%0.362CS..EExtended strand (participates in β ladder)trans-109.5148.9174.947.70000113.1E517 A554 T555E517-T537 WeakPolarHBondContact CB-OG1 3.37Å; E517-T537 PolarHBondContact N-O 3.03Å; E517-T537 VanDerWaalsContact N-O 3.09Å; E517-T537 WeakPolarHBondContact OE2-CB 3.47Å; E517-T537 PolarHBondContact OE2-OG1 2.63Å; T537-A554 CarbonylContact C-O 3.5Å; T537-A554 WeakPolarHBondContact CA-O 3.39Å; T537-T555 HydrophobicContact CG2-CG2 4.01Å; T537-T555 WeakPolarHBondContact CG2-OG1 3.4Å
538I86.2Confident80.5Confident0 Ų074.1 Ų74.10%035%0.349CS..EExtended strand (participates in β ladder)trans-116.6151.3162.559.9176000109P502 I506 I514 K515 L516 Y525 F540 R553 A554 W561P502-I538 HydrophobicContact CB-CD1 3.76Å; P502-I538 HydrophobicContact CG-CD1 3.76Å; P502-I538 HydrophobicContact CG-CG2 4.21Å; I506-I538 HydrophobicContact CD1-CD1 4.05Å; I514-I538 HydrophobicContact CG2-CB 4.25Å; I514-I538 HydrophobicContact CG2-CD1 4.2Å; K515-I538 CarbonylContact O-C 3.58Å; K515-I538 WeakPolarHBondContact O-CA 3.19Å; K515-I538 WeakPolarHBondContact O-CB 3.47Å; L516-I538 HydrophobicContact CD1-CG2 4.07Å; Y525-I538 HydrophobicContact CD2-CG2 3.91Å; Y525-I538 HydrophobicContact CE2-CG2 4.01Å; I538-F540 HydrophobicContact CD1-CE1 3.9Å; I538-F540 HydrophobicContact CD1-CZ 3.84Å; I538-F540 HydrophobicContact CG1-CE1 4.41Å; I538-F540 HydrophobicContact CG1-CZ 4.14Å; I538-R553 CarbonylContact O-C 3.49Å; I538-R553 WeakPolarHBondContact O-CA 3.36Å; I538-R553 WeakPolarHBondContact O-CB 3.45Å; I538-A554 HydrophobicContact CD1-CB 4.26Å; I538-A554 HydrophobicContact CG1-CB 3.96Å; I538-A554 WeakPolarHBondContact CG1-O 3.44Å; I538-A554 PolarHBondContact N-O 2.87Å; I538-A554 PolarHBondContact O-N 2.83Å; I538-W561 HydrophobicContact CB-CZ3 4.33Å; I538-W561 HydrophobicContact CD1-CD2 4.23Å; I538-W561 HydrophobicContact CD1-CE3 3.96Å; I538-W561 HydrophobicContact CD1-CH2 4.14Å; I538-W561 HydrophobicContact CD1-CZ2 4.42Å; I538-W561 HydrophobicContact CD1-CZ3 3.91Å; I538-W561 HydrophobicContact CG1-CE3 4.05Å; I538-W561 HydrophobicContact CG1-CH2 4.23Å; I538-W561 HydrophobicContact CG1-CZ3 3.73Å; I538-W561 HydrophobicContact CG2-CH2 3.61Å; I538-W561 HydrophobicContact CG2-CZ2 4.47Å; I538-W561 HydrophobicContact CG2-CZ3 3.86Å
539A86.7Confident80.6Confident17 Ų1770 Ų7014%0.1434%0.336CS..EExtended strand (participates in β ladder)trans-117.8155.8174.100000110.7K515 E517 A552 R553K515-A539 PolarHBondContact N-O 3.49Å; K515-A539 PolarHBondContact O-N 3.12Å; E517-A539 HydrophobicContact CG-CB 4.17Å; A539-A552 WeakPolarHBondContact CA-O 3.33Å; A539-R553 HydrophobicContact CB-CG 4.2Å
540F88.2Confident81.1Confident12 Ų1270.9 Ų70.95%0.05335%0.354CS..EExtended strand (participates in β ladder)trans-117.8134.6177.8-48.7-73.5000109.8I506 I509 I514 I538 L548 P551 A552 A554 P567I506-F540 HydrophobicContact CD1-CE1 3.84Å; I506-F540 HydrophobicContact CD1-CZ 3.66Å; I506-F540 HydrophobicContact CG2-CE1 4.46Å; I509-F540 HydrophobicContact CD1-CB 4.12Å; I509-F540 HydrophobicContact CD1-CD1 3.51Å; I509-F540 HydrophobicContact CD1-CE1 4.3Å; I509-F540 HydrophobicContact CD1-CG 4.12Å; I514-F540 HydrophobicContact CG1-CD1 4.16Å; I514-F540 HydrophobicContact CG1-CE1 4.38Å; I514-F540 HydrophobicContact CG2-CD1 4.46Å; I514-F540 HydrophobicContact CG2-CE1 4.4Å; I538-F540 HydrophobicContact CD1-CE1 3.9Å; I538-F540 HydrophobicContact CD1-CZ 3.84Å; I538-F540 HydrophobicContact CG1-CE1 4.41Å; I538-F540 HydrophobicContact CG1-CZ 4.14Å; F540-L548 HydrophobicContact CB-CD1 4.1Å; F540-L548 HydrophobicContact CB-CD2 4.23Å; F540-P551 WeakPolarHBondContact CD2-O 3.13Å; F540-A552 PolarHBondContact N-O 2.97Å; F540-A554 HydrophobicContact CE2-CB 4.11Å; F540-A554 HydrophobicContact CZ-CB 4.01Å; F540-P567 HydrophobicContact CB-CG 3.97Å; F540-P567 HydrophobicContact CD1-CG 4.08Å; F540-P567 HydrophobicContact CD2-CG 3.86Å; F540-P567 HydrophobicContact CE2-CG 4.34Å; F540-P567 HydrophobicContact CG-CG 3.7Å
541E86.4Confident81.8Confident88 Ų8861.6 Ų61.641%0.41132%0.322SS..EExtended strand (participates in β ladder)trans-136.8136.6-173.1-172.2171.4112.400110.1G512 L513 K515G512-E541 CarbonylContact C-O 3.56Å; G512-E541 WeakPolarHBondContact CA-O 3.15Å; L513-E541 HydrophobicContact CD1-CB 3.87Å; L513-E541 HydrophobicContact CG-CB 4.38Å; L513-E541 PolarHBondContact N-O 3.18Å; L513-E541 PolarHBondContact O-N 3.47Å; K515-E541 VanDerWaalsContact CE-OE1 3.32Å; K515-E541 WeakPolarHBondContact CE-OE1 3.4Å; K515-E541 VanDerWaalsContact CE-OE2 3.31Å; K515-E541 WeakPolarHBondContact CE-OE2 3.24Å; K515-E541 IonicContact NZ-OE1 3.63Å; K515-E541 PolarHBondContact NZ-OE1 3.39Å; K515-E541 IonicContact NZ-OE2 2.69Å; K515-E541 PolarHBondContact NZ-OE2 2.96Å
542C88.4Confident82.5Confident24 Ų2462 Ų6216%0.16233%0.326CS..EExtended strand (participates in β ladder)trans-93.5152.7178-630000111.7Y546 L548 C569C542-Y546 WeakPolarHBondContact CB-O 3.31Å; C542-L548 WeakPolarHBondContact SG-CA 3.41Å; C542-L548 VanDerWaalsContact SG-CD1 3.5Å; C542-L548 PolarHBondContact SG-N 3.42Å; C542-C569 WeakPolarHBondContact CA-SG 3.23Å; C542-C569 HydrophobicContact CB-CB 3.79Å; C542-C569 WeakPolarHBondContact CB-SG 3Å; C542-C569 VanDerWaalsContact SG-CA 3.55Å; C542-C569 WeakPolarHBondContact SG-CB 3.45Å; C542-C569 CovalentContact SG-SG 2.04Å; C542-C569 PolarHBondContact SG-SG 2.99Å
543H88.4Confident83.1Confident94 Ų9468.7 Ų68.744%0.43535%0.35SS..PPolyproline II helixtrans-68.8157.2170.9-63.376.7000110.2H511 G512 G545 Y546H511-H543 PolarHBondContact O-N 2.9Å; H511-H543 PolarHBondContact O-ND1 2.84Å; G512-H543 PolarHBondContact N-ND1 3.12Å; H543-G545 PolarHBondContact O-N 3.16Å; H543-Y546 PolarHBondContact O-N 2.94Å; H543-Y546 VanDerWaalsContact O-N 3.11Å
544R81.6Confident83.7Confident251 Ų25168.1 Ų68.195%0.94734%0.344SS*.THydrogen-bonded Turntrans-53.2133.8179.8-67.4-179177177.6-1.5111
545G76.4Confident84.4Confident38 Ų3869.2 Ų69.239%0.39235%0.352SS..THydrogen-bonded Turntrans94.1-5.7-175.700000115H543 Q572H543-G545 PolarHBondContact O-N 3.16Å; G545-Q572 WeakPolarHBondContact O-CB 3.34Å; G545-Q572 PolarHBondContact O-N 3.44Å
546Y86.6Confident84.7Confident67 Ų6762 Ų6226%0.26332%0.319SS..EExtended strand (participates in β ladder)trans-122144.6179.3-61.1-103000112.1H511 C542 H543 V570 L571H511-Y546 HydrophobicContact CB-CD1 3.63Å; H511-Y546 HydrophobicContact CB-CD2 3.96Å; H511-Y546 HydrophobicContact CB-CE1 3.7Å; H511-Y546 HydrophobicContact CB-CE2 4.04Å; H511-Y546 HydrophobicContact CB-CG 3.78Å; H511-Y546 AromaticContact CD2-CE1 3.46Å; H511-Y546 VanDerWaalsContact CD2-CE1 3.46Å; H511-Y546 WeakPolarHBondContact CD2-CE1 3.5Å; H511-Y546 AromaticContact CD2-CZ 3.8Å; H511-Y546 AromaticContact CE1-CZ 3.72Å; H511-Y546 PolarHBondContact CE1-OH 2.71Å; H511-Y546 AromaticContact CG-CD1 3.87Å; H511-Y546 AromaticContact CG-CE1 3.37Å; H511-Y546 AromaticContact CG-CE2 3.92Å; H511-Y546 AromaticContact CG-CZ 3.41Å; H511-Y546 VanDerWaalsContact CG-CZ 3.41Å; H511-Y546 AromaticContact ND1-CE1 3.84Å; H511-Y546 AromaticContact ND1-CE2 3.76Å; H511-Y546 AromaticContact ND1-CZ 3.36Å; H511-Y546 PolarHBondContact ND1-OH 3.02Å; H511-Y546 AromaticContact NE2-CE1 3.98Å; H511-Y546 AromaticContact NE2-CZ 3.98Å; C542-Y546 WeakPolarHBondContact CB-O 3.31Å; H543-Y546 PolarHBondContact O-N 2.94Å; H543-Y546 VanDerWaalsContact O-N 3.11Å; Y546-V570 CarbonylContact C-O 3.41Å; Y546-V570 VanDerWaalsContact CA-O 3.22Å; Y546-V570 WeakPolarHBondContact CA-O 2.97Å; Y546-L571 HydrophobicContact CD1-CB 4.41Å; Y546-L571 HydrophobicContact CD1-CD1 4.43Å; Y546-L571 HydrophobicContact CE1-CB 4.26Å; Y546-L571 HydrophobicContact CE1-CD1 4Å; Y546-L571 HydrophobicContact CE2-CD1 4.22Å
547V80.6Confident84.7Confident69 Ų6958.3 Ų58.342%0.41831%0.31SS..EExtended strand (participates in β ladder)trans-107.2141.8178.1-179.40000109.8E549 C569 V570 Q572V547-E549 PolarHBondContact O-N 3.01Å; V547-C569 CarbonylContact O-C 3.37Å; V547-C569 WeakPolarHBondContact O-CA 3.04Å; V547-V570 HydrophobicContact CB-CG2 4.39Å; V547-V570 PolarHBondContact N-O 2.87Å; V547-V570 PolarHBondContact O-N 2.89Å; V547-Q572 HydrophobicContact CG2-CB 3.94Å; V547-Q572 HydrophobicContact CG2-CG 3.74Å
548L84.3Confident84.1Confident48 Ų4861 Ų6125%0.25132%0.323SS..EExtended strand (participates in β ladder)trans-78.5118.7179.3-167.179.9000111.4F540 C542 A552 P567 R568F540-L548 HydrophobicContact CB-CD1 4.1Å; F540-L548 HydrophobicContact CB-CD2 4.23Å; C542-L548 WeakPolarHBondContact SG-CA 3.41Å; C542-L548 VanDerWaalsContact SG-CD1 3.5Å; C542-L548 PolarHBondContact SG-N 3.42Å; L548-A552 HydrophobicContact CD2-CB 4.07Å; L548-P567 HydrophobicContact CD1-CB 3.93Å; L548-P567 HydrophobicContact CD1-CG 4.34Å; L548-P567 HydrophobicContact CG-CB 4.29Å; L548-R568 WeakPolarHBondContact CA-O 3.43Å
549E81.2Confident83.6Confident95 Ų9561.8 Ų61.844%0.44433%0.332SS..EExtended strand (participates in β ladder)trans-103.2107.7170.9-179-169.6-140.200108.9V547 P567 R568 V570V547-E549 PolarHBondContact O-N 3.01Å; E549-P567 CarbonylContact O-C 3.59Å; E549-P567 WeakPolarHBondContact O-CA 3.39Å; E549-R568 HydrophobicContact CB-CB 4.33Å; E549-R568 PolarHBondContact N-O 3.19Å; E549-R568 PolarHBondContact O-N 3.36Å; E549-R568 VanDerWaalsContact OE2-CD 3.23Å; E549-R568 WeakPolarHBondContact OE2-CD 3.39Å; E549-R568 IonicContact OE2-NH1 3.7Å; E549-V570 HydrophobicContact CB-CG1 4.4Å; E549-V570 HydrophobicContact CB-CG2 4.48Å
550G81.9Confident83.3Confident54 Ų5464.8 Ų64.856%0.55735%0.348SS*.SBendtrans132.3-163179.300000113.5
551P82.6Confident83.2Confident27 Ų2764.3 Ų64.318%0.17535%0.346CS..  trans-68.5136.4176.730-36000111.2F540 P563 V565F540-P551 WeakPolarHBondContact CD2-O 3.13Å; P551-P563 HydrophobicContact CB-CG 3.58Å; P551-P563 HydrophobicContact CG-CG 4.04Å; P551-V565 HydrophobicContact CG-CB 4.16Å; P551-V565 HydrophobicContact CG-CG1 4.39Å; P551-V565 WeakPolarHBondContact CG-O 3.42Å
552A86Confident83Confident60 Ų6064.7 Ų64.750%0.49635%0.348SS..SBendtrans-81.6-17.4177.100000114.2A539 F540 L548A539-A552 WeakPolarHBondContact CA-O 3.33Å; F540-A552 PolarHBondContact N-O 2.97Å; L548-A552 HydrophobicContact CD2-CB 4.07Å
553R88.2Confident82.5Confident147 Ų14766.6 Ų66.656%0.55536%0.36SS*.EExtended strand (participates in β ladder)trans-144.1157.9-178.9-73.4178.6168.4132.7-0.6111.4E517 I538 A539E517-R553 VanDerWaalsContact CD-NE 3.32Å; E517-R553 IonicContact OE1-CZ 2.65Å; E517-R553 IonicContact OE1-NE 2.7Å; E517-R553 PolarHBondContact OE1-NE 3.39Å; E517-R553 IonicContact OE1-NH2 3.09Å; E517-R553 PolarHBondContact OE1-NH2 2.96Å; E517-R553 IonicContact OE2-CZ 3.41Å; E517-R553 IonicContact OE2-NE 2.66Å; E517-R553 PolarHBondContact OE2-NE 2.91Å; E517-R553 VanDerWaalsContact OE2-NE 3.14Å; E517-R553 IonicContact OE2-NH2 2.73Å; I538-R553 CarbonylContact O-C 3.49Å; I538-R553 WeakPolarHBondContact O-CA 3.36Å; I538-R553 WeakPolarHBondContact O-CB 3.45Å; A539-R553 HydrophobicContact CB-CG 4.2Å
554A86.2Confident81.9Confident1 Ų167.1 Ų67.11%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-137.7145163.500000111.1T537 I538 F540 W561 Q562T537-A554 CarbonylContact C-O 3.5Å; T537-A554 WeakPolarHBondContact CA-O 3.39Å; I538-A554 HydrophobicContact CD1-CB 4.26Å; I538-A554 HydrophobicContact CG1-CB 3.96Å; I538-A554 WeakPolarHBondContact CG1-O 3.44Å; I538-A554 PolarHBondContact N-O 2.87Å; I538-A554 PolarHBondContact O-N 2.83Å; F540-A554 HydrophobicContact CE2-CB 4.11Å; F540-A554 HydrophobicContact CZ-CB 4.01Å; A554-W561 HydrophobicContact CB-CE3 4.18Å; A554-Q562 CarbonylContact C-O 3.48Å; A554-Q562 WeakPolarHBondContact CA-O 3.26Å
555T88.1Confident81.9Confident46 Ų4659 Ų5928%0.28234%0.344SS..EExtended strand (participates in β ladder)trans-111.9141.7-177.9-46.90000110.2R536 T537 V557 W561 Q562R536-T555 CarbonylContact O-C 3.58Å; R536-T555 WeakPolarHBondContact O-CA 3.3Å; T537-T555 HydrophobicContact CG2-CG2 4.01Å; T537-T555 WeakPolarHBondContact CG2-OG1 3.4Å; T555-V557 HydrophobicContact CG2-CG2 4.08Å; T555-V557 PolarHBondContact O-N 3.44Å; T555-W561 WeakPolarHBondContact O-CA 3.25Å; T555-Q562 PolarHBondContact N-O 3.5Å; T555-Q562 PolarHBondContact O-N 2.81Å
556C84.2Confident82.1Confident0 Ų063.8 Ų63.80%035%0.35CS..EExtended strand (participates in β ladder)trans-76.4117.7170.1-176.70000110.8C499 G533 H535 R536 W561C499-C556 HydrophobicContact CB-CB 3.88Å; C499-C556 WeakPolarHBondContact CB-SG 3.23Å; C499-C556 PolarHBondContact N-SG 2.64Å; C499-C556 VanDerWaalsContact N-SG 3.39Å; C499-C556 WeakPolarHBondContact SG-CA 3.14Å; C499-C556 WeakPolarHBondContact SG-CB 3.48Å; C499-C556 CovalentContact SG-SG 2.03Å; C499-C556 PolarHBondContact SG-SG 2.91Å; G533-C556 WeakPolarHBondContact O-CB 3.44Å; H535-C556 WeakPolarHBondContact CA-O 3.32Å; H535-C556 PolarHBondContact N-O 2.88Å; R536-C556 PolarHBondContact O-N 2.76Å; C556-W561 HydrophobicContact CB-CE3 4.44Å; C556-W561 HydrophobicContact CB-CH2 4.48Å; C556-W561 HydrophobicContact CB-CZ3 4.18Å
557V81.1Confident82.1Confident49 Ų4960.7 Ų60.730%0.29734%0.338SS..EExtended strand (participates in β ladder)trans-137.3122-177.5-177.50000110.4T555 G559 T560 Q562T555-V557 HydrophobicContact CG2-CG2 4.08Å; T555-V557 PolarHBondContact O-N 3.44Å; V557-G559 PolarHBondContact O-N 3Å; V557-G559 VanDerWaalsContact O-N 3.14Å; V557-T560 PolarHBondContact N-O 2.76Å; V557-T560 PolarHBondContact O-N 2.94Å; V557-T560 VanDerWaalsContact O-O 3.12Å; V557-T560 PolarHBondContact O-OG1 3.1Å; V557-Q562 HydrophobicContact CB-CG 4.17Å; V557-Q562 HydrophobicContact CG2-CB 4.4Å; V557-Q562 HydrophobicContact CG2-CG 4.48Å
558N73.1Confident82.4Confident94 Ų9465 Ų6550%0.50335%0.347SS..THydrogen-bonded Turntrans54.822.6-177.3-158.419.5000114.5K497 E534K497-N558 WeakPolarHBondContact CD-O 3.27Å; K497-N558 PolarHBondContact NZ-OD1 3.32Å; E534-N558 VanDerWaalsContact OE1-CA 3.24Å; E534-N558 WeakPolarHBondContact OE1-CA 3.36Å; E534-N558 PolarHBondContact OE1-N 2.72Å; E534-N558 WeakPolarHBondContact OE2-CA 3.19Å; E534-N558 PolarHBondContact OE2-N 2.91Å
559G74.5Confident82.6Confident17 Ų1763.4 Ų63.418%0.17534%0.34CS..THydrogen-bonded Turntrans87.78.5-171.700000116.6E534 V557E534-G559 PolarHBondContact OE2-N 2.83Å; V557-G559 PolarHBondContact O-N 3Å; V557-G559 VanDerWaalsContact O-N 3.14Å
560T82.1Confident82.7Confident79 Ų7962 Ų6249%0.48534%0.337SS..EExtended strand (participates in β ladder)trans-124.1152.2172.258.10000112.8C499 V557C499-T560 VanDerWaalsContact SG-C 3.52Å; C499-T560 PolarHBondContact SG-N 3.14Å; C499-T560 VanDerWaalsContact SG-N 3.41Å; C499-T560 PolarHBondContact SG-O 2.87Å; V557-T560 PolarHBondContact N-O 2.76Å; V557-T560 PolarHBondContact O-N 2.94Å; V557-T560 VanDerWaalsContact O-O 3.12Å; V557-T560 PolarHBondContact O-OG1 3.1Å
561W84.8Confident82.6Confident3 Ų364.6 Ų64.61%0.01134%0.338CS..EExtended strand (participates in β ladder)trans-75.8132.1175.2-67.9108.2000111C499 P500 P502 V532 I538 A554 T555 C556 N564C499-W561 HydrophobicContact CB-CD2 4.27Å; C499-W561 HydrophobicContact CB-CZ2 3.93Å; P500-W561 PolarHBondContact O-NE1 3.35Å; P502-W561 HydrophobicContact CG-CH2 4.32Å; P502-W561 HydrophobicContact CG-CZ2 3.72Å; V532-W561 HydrophobicContact CB-CH2 3.92Å; V532-W561 HydrophobicContact CB-CZ2 3.97Å; V532-W561 HydrophobicContact CG1-CH2 3.85Å; V532-W561 HydrophobicContact CG1-CZ2 4.42Å; V532-W561 HydrophobicContact CG2-CH2 3.89Å; V532-W561 HydrophobicContact CG2-CZ2 3.78Å; I538-W561 HydrophobicContact CB-CZ3 4.33Å; I538-W561 HydrophobicContact CD1-CD2 4.23Å; I538-W561 HydrophobicContact CD1-CE3 3.96Å; I538-W561 HydrophobicContact CD1-CH2 4.14Å; I538-W561 HydrophobicContact CD1-CZ2 4.42Å; I538-W561 HydrophobicContact CD1-CZ3 3.91Å; I538-W561 HydrophobicContact CG1-CE3 4.05Å; I538-W561 HydrophobicContact CG1-CH2 4.23Å; I538-W561 HydrophobicContact CG1-CZ3 3.73Å; I538-W561 HydrophobicContact CG2-CH2 3.61Å; I538-W561 HydrophobicContact CG2-CZ2 4.47Å; I538-W561 HydrophobicContact CG2-CZ3 3.86Å; A554-W561 HydrophobicContact CB-CE3 4.18Å; T555-W561 WeakPolarHBondContact O-CA 3.25Å; C556-W561 HydrophobicContact CB-CE3 4.44Å; C556-W561 HydrophobicContact CB-CH2 4.48Å; C556-W561 HydrophobicContact CB-CZ3 4.18Å; W561-N564 WeakPolarHBondContact O-CB 3.24Å; W561-N564 PolarHBondContact O-N 2.9Å
562Q81.8Confident81.5Confident95 Ų9569.4 Ų69.444%0.44436%0.358SS..EExtended strand (participates in β ladder)trans-131.7126.6177.9-62.9-169.214.400111.2A554 T555 V557A554-Q562 CarbonylContact C-O 3.48Å; A554-Q562 WeakPolarHBondContact CA-O 3.26Å; T555-Q562 PolarHBondContact N-O 3.5Å; T555-Q562 PolarHBondContact O-N 2.81Å; V557-Q562 HydrophobicContact CB-CG 4.17Å; V557-Q562 HydrophobicContact CG2-CB 4.4Å; V557-Q562 HydrophobicContact CG2-CG 4.48Å
563P79.1Confident79.7Confident64 Ų6471.8 Ų71.842%0.41637%0.367SS..SBendcis-66142.6-6.529-35.6000112.4P551 V565P551-P563 HydrophobicContact CB-CG 3.58Å; P551-P563 HydrophobicContact CG-CG 4.04Å; P563-V565 HydrophobicContact CB-CG2 4.32Å; P563-V565 PolarHBondContact O-N 3.4Å
564N75.5Confident77.2Confident106 Ų10672.7 Ų72.757%0.56738%0.377SS*.  trans-85.757.6177.6-164.830.1000111.2V505 W561V505-N564 WeakPolarHBondContact CG1-OD1 3.36Å; W561-N564 WeakPolarHBondContact O-CB 3.24Å; W561-N564 PolarHBondContact O-N 2.9Å
565V80.9Confident74.6Confident81 Ų8178.3 Ų78.349%0.49141%0.413SS..  trans-132.4130.2-171.4178.30000109.7P551 P563 P567P551-V565 HydrophobicContact CG-CB 4.16Å; P551-V565 HydrophobicContact CG-CG1 4.39Å; P551-V565 WeakPolarHBondContact CG-O 3.42Å; P563-V565 HydrophobicContact CB-CG2 4.32Å; P563-V565 PolarHBondContact O-N 3.4Å; V565-P567 WeakPolarHBondContact O-CD 3.45Å
566R82.2Confident72Confident138 Ų13881.6 Ų81.652%0.52144%0.438SS..  trans-80.3117.2178.8-178.5-178.3-174-161.9-4.5110.6I506 N508I506-R566 HydrophobicContact CG2-CB 4.12Å; I506-R566 HydrophobicContact CG2-CG 4.04Å; I506-R566 WeakPolarHBondContact O-CD 3.32Å; I506-R566 VanDerWaalsContact O-CG 3.3Å; I506-R566 WeakPolarHBondContact O-CG 3.39Å; I506-R566 PolarHBondContact O-NE 2.76Å; N508-R566 PolarHBondContact O-NE 2.88Å; N508-R566 PolarHBondContact O-NH2 2.73Å
567P85.3Confident69.4Low2 Ų290 Ų901%0.01348%0.482CS..  trans-77.5166.9171.334.2-35.3000111.5I509 F540 L548 E549 V565I509-P567 HydrophobicContact CD1-CG 3.86Å; I509-P567 HydrophobicContact CG1-CG 4.48Å; F540-P567 HydrophobicContact CB-CG 3.97Å; F540-P567 HydrophobicContact CD1-CG 4.08Å; F540-P567 HydrophobicContact CD2-CG 3.86Å; F540-P567 HydrophobicContact CE2-CG 4.34Å; F540-P567 HydrophobicContact CG-CG 3.7Å; L548-P567 HydrophobicContact CD1-CB 3.93Å; L548-P567 HydrophobicContact CD1-CG 4.34Å; L548-P567 HydrophobicContact CG-CB 4.29Å; E549-P567 CarbonylContact O-C 3.59Å; E549-P567 WeakPolarHBondContact O-CA 3.39Å; V565-P567 WeakPolarHBondContact O-CD 3.45Å
568R86.9Confident67Low160 Ų16092.8 Ų92.860%0.60450%0.504SS*.EExtended strand (participates in β ladder)trans-125160.5177.6-65.4167.9172.1174.6-3.3110.1L548 E549L548-R568 WeakPolarHBondContact CA-O 3.43Å; E549-R568 HydrophobicContact CB-CB 4.33Å; E549-R568 PolarHBondContact N-O 3.19Å; E549-R568 PolarHBondContact O-N 3.36Å; E549-R568 VanDerWaalsContact OE2-CD 3.23Å; E549-R568 WeakPolarHBondContact OE2-CD 3.39Å; E549-R568 IonicContact OE2-NH1 3.7Å
569C88.8Confident64.8Low13 Ų1395.5 Ų95.59%0.08852%0.518CS..EExtended strand (participates in β ladder)trans-117.9114.4169.8-68.70000109E510 H511 C542 V547E510-C569 WeakPolarHBondContact O-CB 3.19Å; H511-C569 HydrophobicContact CB-CB 4Å; H511-C569 PolarHBondContact O-SG 2.82Å; C542-C569 WeakPolarHBondContact CA-SG 3.23Å; C542-C569 HydrophobicContact CB-CB 3.79Å; C542-C569 WeakPolarHBondContact CB-SG 3Å; C542-C569 VanDerWaalsContact SG-CA 3.55Å; C542-C569 WeakPolarHBondContact SG-CB 3.45Å; C542-C569 CovalentContact SG-SG 2.04Å; C542-C569 PolarHBondContact SG-SG 2.99Å; V547-C569 CarbonylContact O-C 3.37Å; V547-C569 WeakPolarHBondContact O-CA 3.04Å
570V83.7Confident62.8Low65 Ų65106.7 Ų106.739%0.39456%0.555SS.*EExtended strand (participates in β ladder)trans-107.3142.2-175-64.10000111Y546 V547 E549 Q572Y546-V570 CarbonylContact C-O 3.41Å; Y546-V570 VanDerWaalsContact CA-O 3.22Å; Y546-V570 WeakPolarHBondContact CA-O 2.97Å; V547-V570 HydrophobicContact CB-CG2 4.39Å; V547-V570 PolarHBondContact N-O 2.87Å; V547-V570 PolarHBondContact O-N 2.89Å; E549-V570 HydrophobicContact CB-CG1 4.4Å; E549-V570 HydrophobicContact CB-CG2 4.48Å; V570-Q572 PolarHBondContact O-N 2.89Å
571L78.8Confident60.3Low109 Ų109109.5 Ų109.557%0.57157%0.566SS**EExtended strand (participates in β ladder)trans-63.6133.9-177-169.574.2000110.9Y546 T573Y546-L571 HydrophobicContact CD1-CB 4.41Å; Y546-L571 HydrophobicContact CD1-CD1 4.43Å; Y546-L571 HydrophobicContact CE1-CB 4.26Å; Y546-L571 HydrophobicContact CE1-CD1 4Å; Y546-L571 HydrophobicContact CE2-CD1 4.22Å; L571-T573 PolarHBondContact O-N 2.03Å; L571-T573 VanDerWaalsContact O-N 3.1Å
572Q61.3Low57.6Low129 Ų129115.6 Ų115.660%0.60360%0.599SS**  trans-78.794.7-172.2-167.7171.710.200112.6G545 V547 V570G545-Q572 WeakPolarHBondContact O-CB 3.34Å; G545-Q572 PolarHBondContact O-N 3.44Å; V547-Q572 HydrophobicContact CG2-CB 3.94Å; V547-Q572 HydrophobicContact CG2-CG 3.74Å; V570-Q572 PolarHBondContact O-N 2.89Å
573T47.4Very low55Low110 Ų110121 Ų12168%0.67562%0.615SS**  trans-100.7131.5173.751.70000112.1L571L571-T573 PolarHBondContact O-N 2.03Å; L571-T573 VanDerWaalsContact O-N 3.1Å
574H34.6Very low52.5Low166 Ų166125.4 Ų125.477%0.76964%0.635SS**SBendtrans63.8136.6-175.2-59-84.5000117.1
575P32.2Very low50.4Low118 Ų118125.2 Ų125.277%0.76664%0.638SS**  trans-86.9115.317333.2-31000111.3
576S33.8Very low47.9Very low116 Ų116128.4 Ų128.481%0.81165%0.65SS**  trans-118112.8173.448.90000111.1
577L30.7Very low45.4Very low176 Ų176127.4 Ų127.492%0.92166%0.659SS**  trans-79.7120.7175-67.493.3000110.1
578S29.2Very low42.6Very low108 Ų108138 Ų13876%0.75570%0.699SS**  trans-156.298158.2-164.50000113.2
579N27.9Very low39.7Very low150 Ų150137 Ų13780%0.80271%0.706SS**  trans26.697.5145.7-61.3-18.7000118.9
580R31.2Very low36.8Very low252 Ų252146.2 Ų146.295%0.95174%0.744SS**  trans-140.991.7143.7-136.9175.7-166.4168.95.5110.2
581I31.2Very low34.2Very low139 Ų139153.5 Ų153.571%0.71377%0.765SS**  trans-78.2132.6177.2-64.8174.9000108.7
582D27.3Very low31.8Very low131 Ų131153.5 Ų153.570%0.70176%0.762SS**  trans-91.8151.7175.7-162.2-6.9000110.6D584D582-D584 PolarHBondContact OD1-N 3.44Å
583W27Very low30.2Very low207 Ų207152.7 Ų152.778%0.78476%0.761SS**  trans-145.649.5179.6-85.7114.9000112.8V585W583-V585 VanDerWaalsContact C-N 3.27Å; W583-V585 HydrophobicContact CE3-CG2 3.8Å; W583-V585 HydrophobicContact CZ3-CG2 4.07Å; W583-V585 PolarHBondContact O-N 3.34Å
584D27.2Very low29.2Very low157 Ų157156 Ų15684%0.8476%0.762SS**  trans-75.573.5169.1-140.43.9000110.9D582D582-D584 PolarHBondContact OD1-N 3.44Å
585V30.2Very low28.9Very low102 Ų102157.5 Ų157.562%0.61876%0.761SS**  trans-141.5147.8179.1-157.80000112.6W583W583-V585 VanDerWaalsContact C-N 3.27Å; W583-V585 HydrophobicContact CE3-CG2 3.8Å; W583-V585 HydrophobicContact CZ3-CG2 4.07Å; W583-V585 PolarHBondContact O-N 3.34Å
586I29Very low28.6Very low148 Ų148161.4 Ų161.476%0.75977%0.766SS**  trans77.770.3173-40.8-176.1000116.8
587V29Very low28.6Very low117 Ų117160.8 Ų160.871%0.70976%0.76SS**  31.1109.3108.9-174.20000118.3
588R26.5Very low28.4Very low224 Ų224159.8 Ų159.885%0.84575%0.753SS**  trans58.6137.9146.6-65.2178173.4153.3-1.8121.6
589D26.4Very low28.3Very low141 Ų141162.8 Ų162.875%0.75476%0.756SS**  trans53.4102.6152.8-80.5-54000120.4
590K28.6Very low28.3Very low205 Ų205161.3 Ų161.389%0.89175%0.751SS**  -170.2139.4111.7-94.5140.5-164.5163.40112.5
591R30Very low28.1Very low218 Ų218155.7 Ų155.782%0.82374%0.739SS**  trans-83.3132.6163.6-54.6169.3179.8163.2-0.5108.3
592H28.1Very low27.9Very low109 Ų109159.9 Ų159.951%0.50575%0.746SS.*  trans-178.9144.9153-103.1-61.7000114.8L1320H592-L1320 WeakPolarHBondContact NE2-CD1 3.48Å; H592-L1320 WeakPolarHBondContact NE2-CD2 3.38Å
593L26.5Very low28Very low112 Ų112161.1 Ų161.159%0.58675%0.747SS**  trans49.3138.2137.5-72.5167.6000121.1I1318L593-I1318 HydrophobicContact CD1-CD1 4.45Å; L593-I1318 HydrophobicContact CD2-CD1 3.87Å; L593-I1318 HydrophobicContact CG-CD1 4.41Å
594Y26.6Very low28Very low179 Ų179155.5 Ų155.570%0.70274%0.739SS**  51.8100.855.1-91.6-58.6000113.7
595W28.1Very low28Very low199 Ų199156.4 Ų156.475%0.75474%0.739SS**  cis-158.5162.531.8-69.377000108.6
596K26.4Very low28Very low200 Ų200160.2 Ų160.287%0.8775%0.75SS**  -178.117584.7-100.6-164.7178.2-179.80111.4
597P33.8Very low28.1Very low103 Ų103161.3 Ų161.367%0.66976%0.755SS**  trans-105.6-171.1-152.341.7-38000116.9
598I26.9Very low28.1Very low154 Ų154165.1 Ų165.179%0.7977%0.766SS**  trans93133.1172.3-57.2157.3000113.3
599Q26Very low28.2Very low172 Ų172163.2 Ų163.280%0.80477%0.766SS**  cis-160.7-173.7-19.7-110-173.7-10.200108.9
600V28.3Very low28.3Very low118 Ų118160.3 Ų160.372%0.71576%0.762SS**  trans84.583.7160-1630000120.4
601I27.1Very low28.4Very low135 Ų135160 Ų16069%0.69276%0.76SS**  57.4122.6112.7-60.4162.9000122.1
602R26.5Very low28.4Very low226 Ų226156 Ų15685%0.85375%0.751SS**  trans67.6159.7155.6-74.5171.3-173.5167.20.2118
603H28.9Very low28.4Very low157 Ų157159.5 Ų159.573%0.72777%0.765SS**  cis-145.4-170.7-2.6-147.914.5000112.9
604S29Very low28.6Very low89 Ų89157.8 Ų157.862%0.62277%0.774SS**  trans53.4133.916645.10000119.2
605Q27Very low28.8Very low177 Ų177154.1 Ų154.183%0.82778%0.775SS**  cis52.6988.6-68.3-174.8-61.600115.4
606E29.4Very low28.8Very low182 Ų182152 Ų15285%0.8578%0.777SS**  trans-179.1-10.2142-103152.9-155.500117
607I31.8Very low28.9Very low170 Ų170149 Ų14987%0.87277%0.769SS**SBendtrans-110.854.3-179.1-38.4-178.1000113.1
608Q29.1Very low28.5Very low198 Ų198152.9 Ų152.993%0.92577%0.771SS**SBendtrans-152.933.8162.2-125.6168.416.500113.8
609Q27Very low28.7Very low183 Ų183152 Ų15286%0.85576%0.763SS**  trans-97.4168.5152.5-71.5-172.5-4.200109.5
610A28.9Very low28.8Very low80 Ų80151 Ų15166%0.66176%0.764SS**  trans72.3139.4-178.200000116.5
611F32.1Very low28.8Very low198 Ų198149.9 Ų149.987%0.86876%0.761SS**  trans56.387.3174-53.7-75000116
612E28.1Very low28.9Very low135 Ų135150.7 Ų150.763%0.63176%0.76SS**  cis59.781.114.3-152.4-156.4-95.100115.5
613K30.1Very low29Very low183 Ų183147.4 Ų147.480%0.79675%0.752SS**  163106.5128.4-87.9151.1178.9130.60115.1
614G29.1Very low29Very low75 Ų75148.1 Ų148.177%0.77375%0.748SS**  trans69.6177.1139.700000121.2
615S30.8Very low29.1Very low103 Ų103152.1 Ų152.172%0.7275%0.754SS**  cis-174.1115.4-24.138.70000115.4
616I28.8Very low29.2Very low154 Ų154151.6 Ų151.679%0.7974%0.744SS**  trans69.6154.9141.2-35.9155.4000119.3
617L27.6Very low29.4Very low137 Ų137148.1 Ų148.172%0.71774%0.735SS**  trans79.5147.1167.5-48.8179000116.3
618R26.4Very low29.5Very low184 Ų184143.4 Ų143.469%0.69471%0.712SS**  cis-160.1164.8-4.8-124.8175.4166.6152.54.4112.5
619E31.3Very low29.8Very low135 Ų135138.2 Ų138.263%0.63169%0.69SS**  trans40.3129.8149.8-79.6126.6-140.400122.4
620N27.5Very low30.2Very low153 Ų153135.8 Ų135.882%0.81868%0.683SS**  67139.581.2-71.6-31.6000115.6
621S29.3Very low30.4Very low93 Ų93137.2 Ų137.265%0.6568%0.684SS**  cis-171.2167.2-4.3600000114.3
622F28.4Very low30.5Very low153 Ų153136.4 Ų136.467%0.67168%0.682SS**  trans68.6164.1156.3-80.3-163.3000118.9R481R481-F622 VanDerWaalsContact NH2-CE2 3.26Å
623K29.2Very low30.6Very low157 Ų157134.5 Ų134.568%0.68368%0.684SS**  cis-156.9147.53-131165-174.8171.10113.5
624R28.5Very low30.7Very low172 Ų172132.9 Ų132.965%0.64968%0.683SS**  trans13.3139.2153.3-70.2173.9164.7161-5.4121.4
625K31Very low30.8Very low173 Ų173133.8 Ų133.875%0.75268%0.677SS**  -159.9-171.473.1-77.8176.4178.7177.50109.9G489 I490G489-K625 WeakPolarHBondContact CA-O 3.12Å; I490-K625 PolarHBondContact N-O 3.22Å
626R29.2Very low30.8Very low165 Ų165135.1 Ų135.162%0.62368%0.676SS**  -173.3173-51.8-166.8-142165.7171.11.1106.1K488 D628K488-R626 HydrophobicContact CB-CG 4.48Å; K488-R626 HydrophobicContact CD-CG 4.39Å; R626-D628 IonicContact NE-OD2 2.76Å
627V33.3Very low30.9Very low109 Ų109137 Ų13766%0.66167%0.674SS**  trans84.5144170.2-167.10000114.1
628D33.3Very low31.2Very low71 Ų71139.6 Ų139.638%0.3868%0.68SS.*  cis151.9151.2-40.2-672.6000107.3K488 R626K488-D628 WeakPolarHBondContact CD-OD1 3.45Å; K488-D628 IonicContact NZ-OD1 2.61Å; K488-D628 PolarHBondContact NZ-OD1 3.27Å; K488-D628 IonicContact NZ-OD2 3.83Å; K488-D628 PolarHBondContact NZ-OD2 3.07Å; R626-D628 IonicContact NE-OD2 2.76Å
629N36.6Very low31.5Very low89 Ų89134.9 Ų134.948%0.47668%0.68SS.*  cis-165.8171.74.9-126.277.5000112.1E486E486-N629 PolarHBondContact OE2-OD1 3.39Å
630D35.6Very low31.5Very low132 Ų132135.9 Ų135.971%0.70669%0.688SS**  trans62.3156151.5-60.3-36.7000127
631V33.4Very low31.7Very low111 Ų111135.9 Ų135.967%0.67369%0.687SS**  cis-175.2153.5-42.4125.70000116.2
632H33.4Very low31.9Very low181 Ų181137.8 Ų137.884%0.83870%0.695SS**  trans67.5165.2161.2-83.2-35.9000122.7
633S30.3Very low32.2Very low94 Ų94137.8 Ų137.866%0.65770%0.702SS**  cis-166.2142.21.7139.80000118.1
634L32.5Very low32.5Very low150 Ų150135.8 Ų135.879%0.78571%0.705SS**  trans57.8115.9136.9-56.6172.5000130.3
635S30.3Very low32.7Very low93 Ų93131.2 Ų131.265%0.6571%0.712SS**  57.6166.811587.60000129
636N30.8Very low32.7Very low131 Ų131130.6 Ų130.670%0.70172%0.717SS**  trans83.9149.9165.4-71.4-30.9000119.7
637R31.9Very low32.8Very low195 Ų195128.8 Ų128.874%0.73672%0.724SS**  cis-154.9164.7-5.3-98.1159.5-167.3-166.74.4108.5
638F32.9Very low32.5Very low191 Ų191131.9 Ų131.984%0.83873%0.731SS**  173.1172.284.1-107.7-80.7000112.1
639A32Very low32.4Very low85 Ų85136.4 Ų136.470%0.70275%0.754SS**  trans-158.3169.1176.400000112.2
640I33.2Very low32.1Very low156 Ų156139.5 Ų139.580%0.877%0.766SS**  trans179.4131.1156.9-101.7153.3000115.8
641L30.8Very low31.8Very low152 Ų152138 Ų13880%0.79676%0.758SS**  trans46.6160.4148.5-52.2176.7000122.7
642T34.1Very low31.6Very low134 Ų134140.9 Ų140.982%0.82276%0.761SS**  cis-148.6-168.211.6-20.30000112.8
643D33.1Very low31.4Very low152 Ų152138.4 Ų138.481%0.81375%0.753SS**  trans-115.6-164.5-152-138.49.3000116
644P36.5Very low31.3Very low116 Ų116144.7 Ų144.775%0.75376%0.763SS**  -132.3179.9-129.541.5-20000118.6
645G33.4Very low31.1Very low76 Ų76142.1 Ų142.178%0.78476%0.763SS**  trans165.3118.8160.400000120.6
646N30.3Very low31Very low160 Ų160143.1 Ų143.186%0.85677%0.77SS**  trans59.1127.2149-95.12.8000125.8
647V30.8Very low31.2Very low127 Ų127142.3 Ų142.377%0.7778%0.775SS**  trans80.9149.3139.91800000120.2
648E28.1Very low31.7Very low174 Ų174136.5 Ų136.581%0.81376%0.764SS**  trans-75.9156.2-164.8-54.116210700115.4
649L31.3Very low32.6Very low165 Ų165130.1 Ų130.186%0.86474%0.743SS**  -173.1142.6129.7-97.1156.1000113.4
650E30.2Very low34.2Very low154 Ų154127 Ų12772%0.7272%0.717SS**  trans58.4111151.4-64.2-140.49900125.5
651N29.3Very low36.4Very low102 Ų102119.6 Ų119.655%0.54568%0.679SS.*  65.3114.8119.4-79.5-52.9000123.5
652K28.5Very low38.8Very low171 Ų171116.1 Ų116.174%0.74367%0.665SS**  trans64.3109.6130.7-61.4164.5-176.91540119.3
653L28.6Very low41Very low128 Ų128109.9 Ų109.967%0.6763%0.626SS**  -179.5127.198.8-89.6160.8000110.7
654W29.5Very low42.9Very low226 Ų226104.6 Ų104.686%0.85660%0.6SS**  trans39.688.9163.8-45.8-52.8000116.9
655A27.1Very low44.4Very low97 Ų97104.7 Ų104.780%0.80260%0.599SS**  cis55.7129.638.600000113.8
656S28Very low46Very low114 Ų114104 Ų10480%0.79757%0.572SS**  cis-112.4112.211.157.20000114.3
657S34.6Very low47.4Very low113 Ų113100.1 Ų100.179%0.7956%0.563SS**  trans-71.6124.9151.1430000108S659S657-S659 PolarHBondContact O-N 2.89Å; S657-S659 VanDerWaalsContact O-N 3.13Å
658S43.3Very low49.4Very low73 Ų7397.7 Ų97.751%0.5155%0.546SS..  trans-69.8111.1-179.739.40000110.2A660 E683S658-A660 PolarHBondContact O-N 2.04Å; S658-A660 VanDerWaalsContact O-N 3.09Å; S658-E683 PolarHBondContact OG-OE2 2.84Å
659S52.9Low51.7Low57 Ų5789.6 Ų89.640%0.39951%0.508SS..  trans-76.220.5165.368.40000112.4S657 D686 G711S657-S659 PolarHBondContact O-N 2.89Å; S657-S659 VanDerWaalsContact O-N 3.13Å; S659-D686 WeakPolarHBondContact CB-OD2 3.41Å; S659-D686 WeakPolarHBondContact O-CB 3.23Å; S659-D686 WeakPolarHBondContact OG-CB 3.22Å; S659-D686 PolarHBondContact OG-OD2 3.32Å; S659-G711 WeakPolarHBondContact O-CA 3.46Å; S659-G711 PolarHBondContact O-N 2.99Å
660A64.3Low53.9Low19 Ų1984.6 Ų84.616%0.15748%0.479CS..PPolyproline II helixtrans-86.5142.1177.800000110.6S658 E683 V684S658-A660 PolarHBondContact O-N 2.04Å; S658-A660 VanDerWaalsContact O-N 3.09Å; A660-E683 HydrophobicContact CB-CB 3.96Å; A660-V684 CarbonylContact C-O 3.57Å; A660-V684 WeakPolarHBondContact CA-O 3.04Å; A660-V684 VanDerWaalsContact CB-O 3.25Å; A660-V684 WeakPolarHBondContact CB-O 3.38Å
661C79.1Confident56.5Low1 Ų177.2 Ų77.21%0.00745%0.445CS..EExtended strand (participates in β ladder)trans-96.7123.1-176.2-53.20000110.2V684 C708 T712 W713C661-V684 PolarHBondContact N-O 2.7Å; C661-V684 WeakPolarHBondContact O-CB 3.38Å; C661-V684 PolarHBondContact O-N 2.88Å; C661-C708 HydrophobicContact CB-CB 3.76Å; C661-C708 WeakPolarHBondContact CB-SG 2.95Å; C661-C708 PolarHBondContact N-SG 2.89Å; C661-C708 WeakPolarHBondContact SG-CA 2.45Å; C661-C708 WeakPolarHBondContact SG-CB 3.5Å; C661-C708 CovalentContact SG-SG 2.03Å; C661-C708 PolarHBondContact SG-SG 2.95Å; C661-T712 PolarHBondContact SG-N 3.13Å; C661-T712 VanDerWaalsContact SG-N 3.4Å; C661-T712 PolarHBondContact SG-O 2.96Å; C661-W713 HydrophobicContact CB-CD2 3.9Å; C661-W713 VanDerWaalsContact CB-CE2 3.45Å; C661-W713 HydrophobicContact CB-CE3 4.22Å; C661-W713 HydrophobicContact CB-CH2 3.74Å; C661-W713 HydrophobicContact CB-CZ2 3.37Å; C661-W713 HydrophobicContact CB-CZ3 4.15Å
662T82.2Confident58.9Low80 Ų8073.3 Ų73.349%0.49143%0.425SS..EExtended strand (participates in β ladder)trans-70.4132.1176.3-38.80000111P664 W713T662-P664 WeakPolarHBondContact O-CD 3.48Å; T662-W713 PolarHBondContact O-NE1 2.94Å
663L79.4Confident61.3Low3 Ų366.9 Ų66.92%0.01640%0.398CS..PPolyproline II helixtrans-71119.8176.9-72.8171.8000112F671 V678 G681 E682 V684 V690 W713L663-F671 HydrophobicContact CD1-CB 4.14Å; L663-F671 HydrophobicContact CD2-CB 4.04Å; L663-F671 HydrophobicContact CD2-CD1 3.89Å; L663-F671 HydrophobicContact CD2-CD2 4.34Å; L663-F671 HydrophobicContact CD2-CE1 4.44Å; L663-F671 HydrophobicContact CD2-CG 3.82Å; L663-V678 HydrophobicContact CD1-CB 3.69Å; L663-V678 HydrophobicContact CD1-CG1 3.37Å; L663-G681 PolarHBondContact O-N 2.93Å; L663-E682 PolarHBondContact N-O 2.66Å; L663-V684 HydrophobicContact CD1-CG2 3.82Å; L663-V684 HydrophobicContact CD2-CG2 3.93Å; L663-V684 HydrophobicContact CG-CG2 3.64Å; L663-V690 HydrophobicContact CD2-CG1 3.88Å; L663-V690 HydrophobicContact CD2-CG2 4.41Å; L663-W713 HydrophobicContact CD2-CH2 3.83Å; L663-W713 HydrophobicContact CD2-CZ2 3.72Å; L663-W713 HydrophobicContact CG-CZ2 4.39Å
664P74.4Confident63.3Low41 Ų4165 Ų6527%0.26640%0.401SS..PPolyproline II helixtrans-72.5137.9-17629.1-34000111.7T662 R666 F671 F717T662-P664 WeakPolarHBondContact O-CD 3.48Å; P664-R666 PolarHBondContact O-N 2.78Å; P664-F671 HydrophobicContact CG-CZ 4.01Å; P664-F671 WeakPolarHBondContact O-CE2 3.46Å; P664-F717 HydrophobicContact CG-CD2 4.1Å; P664-F717 HydrophobicContact CG-CE2 4.3Å
665T67.1Low64.8Low118 Ų11862 Ų6272%0.72440%0.402SS*.PPolyproline II helixtrans-63.5116.4170.338.70000110.4Y680T665-Y680 HydrophobicContact CG2-CD2 4.48Å; T665-Y680 HydrophobicContact CG2-CG 4.01Å
666R67.4Low66Low60 Ų6064.3 Ų64.323%0.22640%0.396CS..  trans-131.6118.5178.9-74.1-171179.6-137.23.2111.1P664 S669 F717 G718P664-R666 PolarHBondContact O-N 2.78Å; R666-S669 WeakPolarHBondContact CB-OG 3.42Å; R666-S669 PolarHBondContact O-N 2.85Å; R666-S669 PolarHBondContact O-OG 3.04Å; R666-F717 PolarHBondContact NH1-O 3.09Å; R666-F717 PolarHBondContact NH2-O 2.76Å; R666-G718 VanDerWaalsContact NH1-C 3.3Å; R666-G718 PolarHBondContact NH1-O 3.39Å
667A60Low67.9Low79 Ų7964.2 Ų64.265%0.65339%0.385SS*.THydrogen-bonded Turntrans-56.514317900000111.4S669A667-S669 PolarHBondContact O-N 3.06Å
668N72Confident69.7Low77 Ų7760.1 Ų60.141%0.41236%0.356SS..THydrogen-bonded Turntrans54.435.5176.4-51-41000113.9S695 H698 C720N668-S695 VanDerWaalsContact C-OG 3.25Å; N668-S695 WeakPolarHBondContact O-CB 3.45Å; N668-S695 PolarHBondContact O-N 2.97Å; N668-S695 PolarHBondContact O-OG 3.48Å; N668-H698 HydrophobicContact CB-CB 4.49Å; N668-H698 PolarHBondContact ND2-NE2 2.8Å; N668-C720 VanDerWaalsContact O-CB 3.28Å; N668-C720 WeakPolarHBondContact O-CB 3.38Å; N668-C720 PolarHBondContact O-SG 2.86Å
669S75.7Confident70.8Confident3 Ų360.6 Ų60.62%0.02136%0.356CS..EExtended strand (participates in β ladder)trans-140.3173.3176.875.50000111.7R666 A667 Y680 H693 C720R666-S669 WeakPolarHBondContact CB-OG 3.42Å; R666-S669 PolarHBondContact O-N 2.85Å; R666-S669 PolarHBondContact O-OG 3.04Å; A667-S669 PolarHBondContact O-N 3.06Å; S669-Y680 PolarHBondContact O-OH 2.87Å; S669-H693 CarbonylContact C-O 3.52Å; S669-H693 WeakPolarHBondContact CA-O 3.43Å; S669-C720 VanDerWaalsContact CB-SG 3.51Å
670F78.7Confident71.7Confident60 Ų6062.9 Ų62.926%0.26336%0.356SS..EExtended strand (participates in β ladder)trans-153.7158.8165.958.7-83.9000109.8V672 I677 H693F670-V672 HydrophobicContact CD2-CG2 3.92Å; F670-V672 HydrophobicContact CE2-CG2 3.87Å; F670-I677 HydrophobicContact CB-CG2 4.39Å; F670-I677 HydrophobicContact CD2-CD1 4.31Å; F670-I677 HydrophobicContact CD2-CG1 4.19Å; F670-I677 HydrophobicContact CD2-CG2 4.13Å; F670-I677 HydrophobicContact CE2-CD1 4.29Å; F670-I677 HydrophobicContact CE2-CG1 4.34Å; F670-H693 HydrophobicContact CD1-CB 4.21Å; F670-H693 HydrophobicContact CD2-CB 4.12Å; F670-H693 HydrophobicContact CE1-CB 3.73Å; F670-H693 HydrophobicContact CE2-CB 3.65Å; F670-H693 HydrophobicContact CG-CB 4.39Å; F670-H693 HydrophobicContact CZ-CB 3.43Å; F670-H693 VanDerWaalsContact CZ-CB 3.43Å; F670-H693 PolarHBondContact N-O 3.28Å; F670-H693 PolarHBondContact O-N 2.9Å
671F83.5Confident71.9Confident0 Ų064.2 Ų64.20%037%0.372CS..EExtended strand (participates in β ladder)trans-108.1147-176.9-64.5-86000111.3L663 P664 I677 V678 Y680 V690 K691 I692 F717L663-F671 HydrophobicContact CD1-CB 4.14Å; L663-F671 HydrophobicContact CD2-CB 4.04Å; L663-F671 HydrophobicContact CD2-CD1 3.89Å; L663-F671 HydrophobicContact CD2-CD2 4.34Å; L663-F671 HydrophobicContact CD2-CE1 4.44Å; L663-F671 HydrophobicContact CD2-CG 3.82Å; P664-F671 HydrophobicContact CG-CZ 4.01Å; P664-F671 WeakPolarHBondContact O-CE2 3.46Å; F671-I677 WeakPolarHBondContact O-CA 3.32Å; F671-V678 PolarHBondContact O-N 3.01Å; F671-Y680 HydrophobicContact CD2-CD1 4.12Å; F671-Y680 HydrophobicContact CD2-CE1 4.36Å; F671-Y680 AromaticContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CE1 4.15Å; F671-V690 HydrophobicContact CB-CG1 3.87Å; F671-V690 HydrophobicContact CD1-CG1 3.83Å; F671-V690 HydrophobicContact CG-CG1 4.3Å; F671-K691 CarbonylContact C-O 3.46Å; F671-K691 VanDerWaalsContact CA-O 3.3Å; F671-K691 WeakPolarHBondContact CA-O 3.42Å; F671-I692 HydrophobicContact CD1-CB 4.01Å; F671-I692 HydrophobicContact CD1-CG1 4.22Å; F671-I692 HydrophobicContact CE1-CB 3.8Å; F671-I692 HydrophobicContact CE1-CD1 3.81Å; F671-I692 HydrophobicContact CE1-CG1 3.82Å; F671-I692 HydrophobicContact CZ-CD1 3.8Å; F671-I692 HydrophobicContact CZ-CG1 4.13Å; F671-F717 HydrophobicContact CD1-CD1 4.5Å; F671-F717 HydrophobicContact CD1-CE1 4.01Å; F671-F717 HydrophobicContact CD1-CE2 4.49Å; F671-F717 HydrophobicContact CD1-CZ 4.01Å; F671-F717 AromaticContact CE1-CD1 3.88Å; F671-F717 HydrophobicContact CE1-CD1 3.88Å; F671-F717 AromaticContact CE1-CD2 3.92Å; F671-F717 HydrophobicContact CE1-CD2 3.92Å; F671-F717 AromaticContact CE1-CE1 3.76Å; F671-F717 HydrophobicContact CE1-CE1 3.76Å; F671-F717 AromaticContact CE1-CE2 3.81Å; F671-F717 HydrophobicContact CE1-CE2 3.81Å; F671-F717 AromaticContact CE1-CG 3.96Å; F671-F717 HydrophobicContact CE1-CG 3.96Å; F671-F717 AromaticContact CE1-CZ 3.73Å; F671-F717 HydrophobicContact CE1-CZ 3.73Å
672V81.8Confident71.7Confident19 Ų1968.5 Ų68.512%0.11539%0.392CS..EExtended strand (participates in β ladder)trans-132.7133.5-177.7-178.70000110.6F670 Q676 I677 K691F670-V672 HydrophobicContact CD2-CG2 3.92Å; F670-V672 HydrophobicContact CE2-CG2 3.87Å; V672-Q676 VanDerWaalsContact CA-O 3.29Å; V672-Q676 WeakPolarHBondContact CA-O 3.37Å; V672-I677 HydrophobicContact CG2-CG1 4.41Å; V672-K691 HydrophobicContact CB-CB 4.5Å; V672-K691 PolarHBondContact N-O 2.86Å; V672-K691 PolarHBondContact O-N 3.29Å
673I78.4Confident71.5Confident36 Ų3670.3 Ų70.319%0.18540%0.395CS..EExtended strand (participates in β ladder)trans-132.3125.7173.3-60.7179.6000107.6D675 Q676 V678 V684 T688 V690I673-D675 VanDerWaalsContact C-N 3.28Å; I673-D675 PolarHBondContact O-N 3.18Å; I673-Q676 PolarHBondContact N-O 3.42Å; I673-Q676 PolarHBondContact O-N 2.96Å; I673-V678 HydrophobicContact CB-CG2 3.88Å; I673-V678 HydrophobicContact CD1-CG2 3.88Å; I673-V678 HydrophobicContact CG1-CG2 3.71Å; I673-V684 HydrophobicContact CD1-CB 4.28Å; I673-V684 HydrophobicContact CD1-CG1 3.7Å; I673-V684 HydrophobicContact CD1-CG2 3.59Å; I673-T688 HydrophobicContact CD1-CG2 4.02Å; I673-T688 HydrophobicContact CG1-CG2 4.43Å; I673-T688 HydrophobicContact CG2-CG2 3.65Å; I673-V690 HydrophobicContact CD1-CG1 4.46Å; I673-V690 HydrophobicContact CD1-CG2 3.65Å; I673-V690 HydrophobicContact CG1-CB 4.23Å; I673-V690 HydrophobicContact CG1-CG1 4Å; I673-V690 HydrophobicContact CG1-CG2 3.78Å
674A70.2Confident71.5Confident89 Ų8970.2 Ų70.274%0.73640%0.395SS*.THydrogen-bonded Turntrans44.651.1178.900000113.4Q676A674-Q676 PolarHBondContact O-N 3.36Å; A674-Q676 VanDerWaalsContact O-N 3.13Å
675D60.9Low71.7Confident162 Ų16272.3 Ų72.387%0.86641%0.408SS*.THydrogen-bonded Turntrans59.514.1-177.2-55.5-28.3000116.3I673I673-D675 VanDerWaalsContact C-N 3.28Å; I673-D675 PolarHBondContact O-N 3.18Å
676Q53.1Low72.3Confident146 Ų14669.4 Ų69.468%0.68239%0.388SS*.EExtended strand (participates in β ladder)trans-105.7135.7171.4-57.8-169.920.100111.3V672 I673 A674V672-Q676 VanDerWaalsContact CA-O 3.29Å; V672-Q676 WeakPolarHBondContact CA-O 3.37Å; I673-Q676 PolarHBondContact N-O 3.42Å; I673-Q676 PolarHBondContact O-N 2.96Å; A674-Q676 PolarHBondContact O-N 3.36Å; A674-Q676 VanDerWaalsContact O-N 3.13Å
677I67.1Low72.9Confident112 Ų11269 Ų6957%0.57440%0.402SS*.EExtended strand (participates in β ladder)trans-77.5126174.4-59.6174000108.9F670 F671 V672F670-I677 HydrophobicContact CB-CG2 4.39Å; F670-I677 HydrophobicContact CD2-CD1 4.31Å; F670-I677 HydrophobicContact CD2-CG1 4.19Å; F670-I677 HydrophobicContact CD2-CG2 4.13Å; F670-I677 HydrophobicContact CE2-CD1 4.29Å; F670-I677 HydrophobicContact CE2-CG1 4.34Å; F671-I677 WeakPolarHBondContact O-CA 3.32Å; V672-I677 HydrophobicContact CG2-CG1 4.41Å
678V71.4Confident73.9Confident27 Ų2766.8 Ų66.816%0.16438%0.381CS..EExtended strand (participates in β ladder)trans-107145.6-176.9-161.10000109.8L663 F671 I673 E682L663-V678 HydrophobicContact CD1-CB 3.69Å; L663-V678 HydrophobicContact CD1-CG1 3.37Å; F671-V678 PolarHBondContact O-N 3.01Å; I673-V678 HydrophobicContact CB-CG2 3.88Å; I673-V678 HydrophobicContact CD1-CG2 3.88Å; I673-V678 HydrophobicContact CG1-CG2 3.71Å; V678-E682 HydrophobicContact CG1-CB 4.03Å; V678-E682 VanDerWaalsContact CG1-OE2 3.29Å; V678-E682 WeakPolarHBondContact CG1-OE2 3.36Å
679T68Low74.5Confident84 Ų8466.5 Ų66.552%0.51538%0.382SS..  trans-90.8150.4-175.3700000112.1G681 E682T679-G681 PolarHBondContact O-N 2.86Å; T679-E682 WeakPolarHBondContact CA-OE2 3.36Å; T679-E682 WeakPolarHBondContact CB-OE2 3.5Å; T679-E682 PolarHBondContact N-OE2 2.79Å; T679-E682 PolarHBondContact O-N 3.5Å; T679-E682 WeakPolarHBondContact OG1-CG 3.39Å; T679-E682 PolarHBondContact OG1-OE2 2.93Å
680Y71.8Confident75.1Confident104 Ų10466.4 Ų66.441%0.40838%0.381SS..THydrogen-bonded Turntrans-64137.6179.4-37.2-83.6000110.6T665 S669 F671 E682T665-Y680 HydrophobicContact CG2-CD2 4.48Å; T665-Y680 HydrophobicContact CG2-CG 4.01Å; S669-Y680 PolarHBondContact O-OH 2.87Å; F671-Y680 HydrophobicContact CD2-CD1 4.12Å; F671-Y680 HydrophobicContact CD2-CE1 4.36Å; F671-Y680 AromaticContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CD1 3.93Å; F671-Y680 HydrophobicContact CE2-CE1 4.15Å; Y680-E682 VanDerWaalsContact C-N 3.34Å
681G67.8Low75.4Confident48 Ų4867.6 Ų67.650%0.49539%0.386SS..THydrogen-bonded Turntrans85.5-3.6-176.100000115.1L663 T679L663-G681 PolarHBondContact O-N 2.93Å; T679-G681 PolarHBondContact O-N 2.86Å
682E74.4Confident75.5Confident90 Ų9067.9 Ų67.942%0.42139%0.388SS..  trans-70.4142.3165.1-78.1173.8132.400110.5L663 V678 T679 Y680L663-E682 PolarHBondContact N-O 2.66Å; V678-E682 HydrophobicContact CG1-CB 4.03Å; V678-E682 VanDerWaalsContact CG1-OE2 3.29Å; V678-E682 WeakPolarHBondContact CG1-OE2 3.36Å; T679-E682 WeakPolarHBondContact CA-OE2 3.36Å; T679-E682 WeakPolarHBondContact CB-OE2 3.5Å; T679-E682 PolarHBondContact N-OE2 2.79Å; T679-E682 PolarHBondContact O-N 3.5Å; T679-E682 WeakPolarHBondContact OG1-CG 3.39Å; T679-E682 PolarHBondContact OG1-OE2 2.93Å; Y680-E682 VanDerWaalsContact C-N 3.34Å
683E79.1Confident75.4Confident118 Ų11871 Ų7155%0.55140%0.401SS*.EExtended strand (participates in β ladder)trans-83.4128.3174.6-71.5-173.7-167.800110S658 A660S658-E683 PolarHBondContact OG-OE2 2.84Å; A660-E683 HydrophobicContact CB-CB 3.96Å
684V79Confident75Confident2 Ų270.6 Ų70.61%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-105.3123.6-178.1171.60000109.8A660 C661 L663 I673 T688 V690 C708 W713A660-V684 CarbonylContact C-O 3.57Å; A660-V684 WeakPolarHBondContact CA-O 3.04Å; A660-V684 VanDerWaalsContact CB-O 3.25Å; A660-V684 WeakPolarHBondContact CB-O 3.38Å; C661-V684 PolarHBondContact N-O 2.7Å; C661-V684 WeakPolarHBondContact O-CB 3.38Å; C661-V684 PolarHBondContact O-N 2.88Å; L663-V684 HydrophobicContact CD1-CG2 3.82Å; L663-V684 HydrophobicContact CD2-CG2 3.93Å; L663-V684 HydrophobicContact CG-CG2 3.64Å; I673-V684 HydrophobicContact CD1-CB 4.28Å; I673-V684 HydrophobicContact CD1-CG1 3.7Å; I673-V684 HydrophobicContact CD1-CG2 3.59Å; V684-T688 HydrophobicContact CG1-CG2 3.79Å; V684-V690 HydrophobicContact CB-CG2 4.49Å; V684-V690 HydrophobicContact CG1-CG2 3.72Å; V684-V690 HydrophobicContact CG2-CG2 4.27Å; V684-C708 HydrophobicContact CG1-CB 4.37Å; V684-C708 PolarHBondContact O-SG 2.91Å; V684-W713 HydrophobicContact CB-CH2 4.01Å; V684-W713 HydrophobicContact CG1-CH2 4.16Å; V684-W713 HydrophobicContact CG2-CH2 4.22Å
685P78.7Confident74.8Confident84 Ų8468 Ų6855%0.54538%0.377SS..  trans-56.2148.5-177.3-25.834.3000113.7T688P685-T688 WeakPolarHBondContact O-CB 3.21Å; P685-T688 PolarHBondContact O-N 2.79Å; P685-T688 VanDerWaalsContact O-N 3.09Å; P685-T688 PolarHBondContact O-OG1 2.85Å
686D78.8Confident74.1Confident58 Ų5864.6 Ų64.631%0.3136%0.364SS..THydrogen-bonded Turntrans-54.2143.8175.8-149-16.3000111.9S659 T688 F709 T710S659-D686 WeakPolarHBondContact CB-OD2 3.41Å; S659-D686 WeakPolarHBondContact O-CB 3.23Å; S659-D686 WeakPolarHBondContact OG-CB 3.22Å; S659-D686 PolarHBondContact OG-OD2 3.32Å; D686-T688 PolarHBondContact O-N 2.92Å; D686-F709 VanDerWaalsContact OD1-CA 3.23Å; D686-F709 WeakPolarHBondContact OD1-CA 3.2Å; D686-T710 PolarHBondContact OD1-N 2.79Å; D686-T710 WeakPolarHBondContact OD2-CA 3.39Å; D686-T710 PolarHBondContact OD2-N 3.03Å
687G79.6Confident73.8Confident50 Ų5060.2 Ų60.252%0.51536%0.358SS..THydrogen-bonded Turntrans71.60.2-173.400000115.8L707 C708G687-L707 VanDerWaalsContact O-CD1 3.29Å; G687-L707 WeakPolarHBondContact O-CD1 3.41Å; G687-C708 WeakPolarHBondContact CA-O 3.16Å; G687-C708 PolarHBondContact N-O 3.39Å
688T82.6Confident73.6Confident34 Ų3457.1 Ų57.121%0.20934%0.341CS..  trans-81.2129176.4-50.80000111.5I673 V684 P685 D686 C708I673-T688 HydrophobicContact CD1-CG2 4.02Å; I673-T688 HydrophobicContact CG1-CG2 4.43Å; I673-T688 HydrophobicContact CG2-CG2 3.65Å; V684-T688 HydrophobicContact CG1-CG2 3.79Å; P685-T688 WeakPolarHBondContact O-CB 3.21Å; P685-T688 PolarHBondContact O-N 2.79Å; P685-T688 VanDerWaalsContact O-N 3.09Å; P685-T688 PolarHBondContact O-OG1 2.85Å; D686-T688 PolarHBondContact O-N 2.92Å; T688-C708 PolarHBondContact O-N 2.78Å
689T84.5Confident73.3Confident71 Ų7158.8 Ų58.844%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-84.3130.4170.3-53.70000110.9E705 N706T689-E705 HydrophobicContact CG2-CB 4.43Å; T689-N706 WeakPolarHBondContact CA-O 3.47Å
690V86.7Confident73.5Confident0 Ų057 Ų570%034%0.338CS..EExtended strand (participates in β ladder)trans-118.7135.8178-171.90000110.2L663 F671 I673 V684 E705 N706 W713 F717L663-V690 HydrophobicContact CD2-CG1 3.88Å; L663-V690 HydrophobicContact CD2-CG2 4.41Å; F671-V690 HydrophobicContact CB-CG1 3.87Å; F671-V690 HydrophobicContact CD1-CG1 3.83Å; F671-V690 HydrophobicContact CG-CG1 4.3Å; I673-V690 HydrophobicContact CD1-CG1 4.46Å; I673-V690 HydrophobicContact CD1-CG2 3.65Å; I673-V690 HydrophobicContact CG1-CB 4.23Å; I673-V690 HydrophobicContact CG1-CG1 4Å; I673-V690 HydrophobicContact CG1-CG2 3.78Å; V684-V690 HydrophobicContact CB-CG2 4.49Å; V684-V690 HydrophobicContact CG1-CG2 3.72Å; V684-V690 HydrophobicContact CG2-CG2 4.27Å; V690-E705 CarbonylContact O-C 3.57Å; V690-E705 WeakPolarHBondContact O-CA 3.45Å; V690-N706 PolarHBondContact N-O 2.01Å; V690-N706 PolarHBondContact O-N 2.78Å; V690-W713 HydrophobicContact CB-CH2 4.3Å; V690-W713 HydrophobicContact CB-CZ3 4.18Å; V690-W713 HydrophobicContact CG2-CH2 3.57Å; V690-W713 HydrophobicContact CG2-CZ3 3.65Å; V690-F717 HydrophobicContact CB-CE1 4.24Å; V690-F717 HydrophobicContact CB-CZ 4.06Å; V690-F717 HydrophobicContact CG1-CE1 4.36Å; V690-F717 HydrophobicContact CG1-CZ 4.23Å
691K84.9Confident73.6Confident86 Ų8658.3 Ų58.337%0.37435%0.348SS..EExtended strand (participates in β ladder)trans-98.5140171.1-45.7-157.2-177.7-146.20110.9F671 V672 P704 E705F671-K691 CarbonylContact C-O 3.46Å; F671-K691 VanDerWaalsContact CA-O 3.3Å; F671-K691 WeakPolarHBondContact CA-O 3.42Å; V672-K691 HydrophobicContact CB-CB 4.5Å; V672-K691 PolarHBondContact N-O 2.86Å; V672-K691 PolarHBondContact O-N 3.29Å; K691-P704 CarbonylContact C-O 3.58Å; K691-P704 VanDerWaalsContact CA-O 3.27Å; K691-P704 WeakPolarHBondContact CA-O 3.45Å; K691-E705 HydrophobicContact CB-CG 4.3Å; K691-E705 HydrophobicContact CD-CG 3.93Å; K691-E705 WeakPolarHBondContact CE-OE1 2.68Å; K691-E705 WeakPolarHBondContact CE-OE2 3.01Å; K691-E705 HydrophobicContact CG-CG 3.84Å; K691-E705 IonicContact NZ-OE1 3.62Å; K691-E705 PolarHBondContact NZ-OE1 3.27Å; K691-E705 IonicContact NZ-OE2 3.5Å; K691-E705 PolarHBondContact NZ-OE2 2.9Å
692I86Confident74.1Confident5 Ų558.7 Ų58.73%0.02635%0.352CS..EExtended strand (participates in β ladder)trans-103.5126.5168.6-171.5176000109.8F671 L700 P704 F717 G718F671-I692 HydrophobicContact CD1-CB 4.01Å; F671-I692 HydrophobicContact CD1-CG1 4.22Å; F671-I692 HydrophobicContact CE1-CB 3.8Å; F671-I692 HydrophobicContact CE1-CD1 3.81Å; F671-I692 HydrophobicContact CE1-CG1 3.82Å; F671-I692 HydrophobicContact CZ-CD1 3.8Å; F671-I692 HydrophobicContact CZ-CG1 4.13Å; I692-L700 HydrophobicContact CD1-CD1 4.39Å; I692-L700 HydrophobicContact CG1-CD1 4.47Å; I692-L700 HydrophobicContact CG2-CD1 3.83Å; I692-L700 HydrophobicContact CG2-CD2 3.98Å; I692-P704 PolarHBondContact N-O 2.89Å; I692-F717 HydrophobicContact CB-CD1 3.89Å; I692-F717 HydrophobicContact CB-CE1 4.41Å; I692-F717 HydrophobicContact CD1-CB 4.24Å; I692-F717 HydrophobicContact CG2-CB 4.27Å; I692-F717 HydrophobicContact CG2-CD1 3.76Å; I692-F717 HydrophobicContact CG2-CG 4.45Å; I692-G718 WeakPolarHBondContact CD1-O 3.25Å
693H79.7Confident74.3Confident85 Ų8558 Ų5839%0.39435%0.351SS..EExtended strand (participates in β ladder)trans-114.9139.9176.2-73.1-97.5000110.1S669 F670S669-H693 CarbonylContact C-O 3.52Å; S669-H693 WeakPolarHBondContact CA-O 3.43Å; F670-H693 HydrophobicContact CD1-CB 4.21Å; F670-H693 HydrophobicContact CD2-CB 4.12Å; F670-H693 HydrophobicContact CE1-CB 3.73Å; F670-H693 HydrophobicContact CE2-CB 3.65Å; F670-H693 HydrophobicContact CG-CB 4.39Å; F670-H693 HydrophobicContact CZ-CB 3.43Å; F670-H693 VanDerWaalsContact CZ-CB 3.43Å; F670-H693 PolarHBondContact N-O 3.28Å; F670-H693 PolarHBondContact O-N 2.9Å
694C71.6Confident74.4Confident27 Ų2755.4 Ų55.418%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-82.6148175.5-63.80000112.6H698 L700 C720C694-H698 HydrophobicContact CB-CB 4.01Å; C694-H698 WeakPolarHBondContact CB-O 3.17Å; C694-L700 WeakPolarHBondContact SG-CA 3.49Å; C694-L700 VanDerWaalsContact SG-CB 3.54Å; C694-L700 VanDerWaalsContact SG-CD1 3.58Å; C694-L700 PolarHBondContact SG-N 2.85Å; C694-L700 VanDerWaalsContact SG-N 3.39Å; C694-C720 WeakPolarHBondContact CA-SG 3.38Å; C694-C720 HydrophobicContact CB-CB 3.8Å; C694-C720 WeakPolarHBondContact CB-SG 3.48Å; C694-C720 WeakPolarHBondContact SG-CA 3.21Å; C694-C720 WeakPolarHBondContact SG-CB 3.2Å; C694-C720 CovalentContact SG-SG 2.04Å; C694-C720 PolarHBondContact SG-SG 3.48Å
695S64.3Low74.7Confident35 Ų3559.2 Ų59.225%0.24536%0.362CS..PPolyproline II helixtrans-66.4148.9170.3-68.60000110.5N668 G697 H698N668-S695 VanDerWaalsContact C-OG 3.25Å; N668-S695 WeakPolarHBondContact O-CB 3.45Å; N668-S695 PolarHBondContact O-N 2.97Å; N668-S695 PolarHBondContact O-OG 3.48Å; S695-G697 PolarHBondContact O-N 3.28Å; S695-H698 WeakPolarHBondContact O-CB 3.47Å; S695-H698 PolarHBondContact O-N 3.08Å
696P47Very low74.8Confident90 Ų9055.4 Ų55.458%0.58434%0.337SS*.THydrogen-bonded Turntrans-47.8132-178.8-3035.3000113.4L768P696-L768 HydrophobicContact CB-CD1 3.97Å; P696-L768 HydrophobicContact CB-CD2 3.76Å; P696-L768 HydrophobicContact CG-CD1 3.87Å; P696-L768 HydrophobicContact CG-CD2 3.94Å
697G46.6Very low75.2Confident54 Ų5455 Ų5556%0.55734%0.335SS*.THydrogen-bonded Turntrans88.3-2.5-17600000115.3S695 S723S695-G697 PolarHBondContact O-N 3.28Å; G697-S723 PolarHBondContact O-N 2.76Å
698H62.2Low75.5Confident48 Ų4852.7 Ų52.722%0.22231%0.31CS..EExtended strand (participates in β ladder)trans-112.9142.2173.5-6367.7000111.3N668 C694 S695 C720 F721 P722N668-H698 HydrophobicContact CB-CB 4.49Å; N668-H698 PolarHBondContact ND2-NE2 2.8Å; C694-H698 HydrophobicContact CB-CB 4.01Å; C694-H698 WeakPolarHBondContact CB-O 3.17Å; S695-H698 WeakPolarHBondContact O-CB 3.47Å; S695-H698 PolarHBondContact O-N 3.08Å; H698-C720 HydrophobicContact CB-CB 4.04Å; H698-C720 PolarHBondContact CD2-O 2.95Å; H698-F721 CarbonylContact C-O 3.54Å; H698-F721 WeakPolarHBondContact CA-O 3.35Å; H698-F721 WeakPolarHBondContact CB-O 3.47Å; H698-F721 VanDerWaalsContact CD2-C 3.5Å; H698-P722 VanDerWaalsContact CD2-N 3.3Å
699V66.6Low75.4Confident62 Ų6256.4 Ų56.438%0.37632%0.324SS..EExtended strand (participates in β ladder)trans-100.6142175.4-172.90000108.5C720 F721 T776V699-C720 WeakPolarHBondContact O-CA 3.47Å; V699-F721 PolarHBondContact N-O 3.35Å; V699-F721 PolarHBondContact O-N 3.43Å; V699-T776 HydrophobicContact CG2-CG2 3.91Å
700L71.4Confident75.1Confident47 Ų4757 Ų5725%0.24633%0.328CS..EExtended strand (participates in β ladder)trans-82.8128.2171.8-168.279.4000110I692 C694 P704 K719I692-L700 HydrophobicContact CD1-CD1 4.39Å; I692-L700 HydrophobicContact CG1-CD1 4.47Å; I692-L700 HydrophobicContact CG2-CD1 3.83Å; I692-L700 HydrophobicContact CG2-CD2 3.98Å; C694-L700 WeakPolarHBondContact SG-CA 3.49Å; C694-L700 VanDerWaalsContact SG-CB 3.54Å; C694-L700 VanDerWaalsContact SG-CD1 3.58Å; C694-L700 PolarHBondContact SG-N 2.85Å; C694-L700 VanDerWaalsContact SG-N 3.39Å; L700-P704 HydrophobicContact CD2-CB 3.59Å; L700-K719 WeakPolarHBondContact CA-O 3.27Å
701E74.2Confident74.3Confident130 Ų13058.6 Ų58.661%0.60734%0.344SS*.EExtended strand (participates in β ladder)trans-117.1120.8170-172.1176.3-15300109.4G718 K719 F721E701-G718 CarbonylContact O-C 3.53Å; E701-G718 WeakPolarHBondContact O-CA 2.54Å; E701-K719 PolarHBondContact N-O 2.83Å; E701-K719 PolarHBondContact O-N 2.78Å; E701-F721 HydrophobicContact CB-CD2 3.81Å; E701-F721 HydrophobicContact CB-CE2 3.97Å; E701-F721 VanDerWaalsContact OE2-CD2 3.24Å; E701-F721 WeakPolarHBondContact OE2-CD2 3.11Å; E701-F721 WeakPolarHBondContact OE2-CE2 3.44Å
702G77.1Confident74Confident57 Ų5758.4 Ų58.459%0.58835%0.35SS*.SBendtrans98.5-169.3-169.700000113.4
703L79.5Confident73.9Confident74 Ų7460.7 Ų60.739%0.38736%0.358SS..BIsolated β-bridgetrans-67.4124.7-166.2-75.8164.6000113.6F715 G718L703-F715 HydrophobicContact CD1-CB 3.36Å; L703-F715 HydrophobicContact CD1-CD1 4.49Å; L703-F715 HydrophobicContact CD1-CD2 3.91Å; L703-F715 HydrophobicContact CD1-CG 3.69Å; L703-G718 PolarHBondContact O-N 3.23Å
704P80.9Confident73.9Confident64 Ų6462.5 Ų62.542%0.41637%0.365SS..SBendtrans-77.7-19.1176.630.6-34000113.7K691 I692 L700K691-P704 CarbonylContact C-O 3.58Å; K691-P704 VanDerWaalsContact CA-O 3.27Å; K691-P704 WeakPolarHBondContact CA-O 3.45Å; I692-P704 PolarHBondContact N-O 2.89Å; L700-P704 HydrophobicContact CD2-CB 3.59Å
705E84.9Confident74.3Confident83 Ų8367 Ų6739%0.38838%0.382SS..EExtended strand (participates in β ladder)trans-134.1144.2-176-52.2-167.4-152.400109.4T689 V690 K691T689-E705 HydrophobicContact CG2-CB 4.43Å; V690-E705 CarbonylContact O-C 3.57Å; V690-E705 WeakPolarHBondContact O-CA 3.45Å; K691-E705 HydrophobicContact CB-CG 4.3Å; K691-E705 HydrophobicContact CD-CG 3.93Å; K691-E705 WeakPolarHBondContact CE-OE1 2.68Å; K691-E705 WeakPolarHBondContact CE-OE2 3.01Å; K691-E705 HydrophobicContact CG-CG 3.84Å; K691-E705 IonicContact NZ-OE1 3.62Å; K691-E705 PolarHBondContact NZ-OE1 3.27Å; K691-E705 IonicContact NZ-OE2 3.5Å; K691-E705 PolarHBondContact NZ-OE2 2.9Å
706N82.5Confident74.9Confident4 Ų469.8 Ų69.82%0.02140%0.401CS..EExtended strand (participates in β ladder)trans-146.5145.5177.9-119.2-65.2000111.8T689 V690 W713 F715 F717T689-N706 WeakPolarHBondContact CA-O 3.47Å; V690-N706 PolarHBondContact N-O 2.01Å; V690-N706 PolarHBondContact O-N 2.78Å; N706-W713 HydrophobicContact CB-CE3 4.21Å; N706-F715 VanDerWaalsContact CG-O 3.3Å; N706-F715 PolarHBondContact ND2-O 3.23Å; N706-F715 VanDerWaalsContact ND2-O 3.15Å; N706-F715 PolarHBondContact OD1-N 2.88Å; N706-F715 PolarHBondContact OD1-O 3.23Å; N706-F715 VanDerWaalsContact OD1-O 3.12Å; N706-F717 HydrophobicContact CB-CD1 3.89Å; N706-F717 HydrophobicContact CB-CE1 3.55Å; N706-F717 HydrophobicContact CB-CE2 4.37Å; N706-F717 HydrophobicContact CB-CG 4.45Å; N706-F717 HydrophobicContact CB-CZ 3.81Å
707L86.7Confident76.5Confident50 Ų5065.8 Ų65.826%0.26238%0.375SS..EExtended strand (participates in β ladder)trans-95130.7177.7-173.965.5000108.7G687 K714G687-L707 VanDerWaalsContact O-CD1 3.29Å; G687-L707 WeakPolarHBondContact O-CD1 3.41Å; L707-K714 HydrophobicContact CB-CB 4.29Å; L707-K714 HydrophobicContact CB-CD 4.45Å; L707-K714 HydrophobicContact CD2-CD 4.27Å; L707-K714 PolarHBondContact O-N 2.84Å
708C85.8Confident78Confident0 Ų063.4 Ų63.40%035%0.35CS..EExtended strand (participates in β ladder)trans-70.9126.6161.8-179.80000108.9C661 V684 G687 T688 W713C661-C708 HydrophobicContact CB-CB 3.76Å; C661-C708 WeakPolarHBondContact CB-SG 2.95Å; C661-C708 PolarHBondContact N-SG 2.89Å; C661-C708 WeakPolarHBondContact SG-CA 2.45Å; C661-C708 WeakPolarHBondContact SG-CB 3.5Å; C661-C708 CovalentContact SG-SG 2.03Å; C661-C708 PolarHBondContact SG-SG 2.95Å; V684-C708 HydrophobicContact CG1-CB 4.37Å; V684-C708 PolarHBondContact O-SG 2.91Å; G687-C708 WeakPolarHBondContact CA-O 3.16Å; G687-C708 PolarHBondContact N-O 3.39Å; T688-C708 PolarHBondContact O-N 2.78Å; C708-W713 HydrophobicContact CB-CE3 4.41Å; C708-W713 HydrophobicContact CB-CH2 4.37Å; C708-W713 HydrophobicContact CB-CZ3 3.94Å
709F80.6Confident78.8Confident112 Ų11267.3 Ų67.349%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-140.4116179.3-168.1-99.8000110D686 G711 T712D686-F709 VanDerWaalsContact OD1-CA 3.23Å; D686-F709 WeakPolarHBondContact OD1-CA 3.2Å; F709-G711 PolarHBondContact O-N 2.66Å; F709-T712 PolarHBondContact N-O 3.04Å; F709-T712 PolarHBondContact O-N 2.94Å; F709-T712 PolarHBondContact O-OG1 3Å
710T77Confident79.2Confident85 Ų8565.2 Ų65.252%0.52135%0.354SS..THydrogen-bonded Turntrans50.249.4176.6600000113.2D686 T712D686-T710 PolarHBondContact OD1-N 2.79Å; D686-T710 WeakPolarHBondContact OD2-CA 3.39Å; D686-T710 PolarHBondContact OD2-N 3.03Å; T710-T712 PolarHBondContact O-N 2.84Å
711G71.8Confident78.9Confident32 Ų3267.4 Ų67.433%0.3336%0.362SS..THydrogen-bonded Turntrans73.81.7-178.600000115.6S659 F709S659-G711 WeakPolarHBondContact O-CA 3.46Å; S659-G711 PolarHBondContact O-N 2.99Å; F709-G711 PolarHBondContact O-N 2.66Å
712T78.4Confident77.7Confident83 Ų8364.5 Ų64.551%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-124.3152.2-179.367.10000112.5C661 F709 T710C661-T712 PolarHBondContact SG-N 3.13Å; C661-T712 VanDerWaalsContact SG-N 3.4Å; C661-T712 PolarHBondContact SG-O 2.96Å; F709-T712 PolarHBondContact N-O 3.04Å; F709-T712 PolarHBondContact O-N 2.94Å; F709-T712 PolarHBondContact O-OG1 3Å; T710-T712 PolarHBondContact O-N 2.84Å
713W82.2Confident76.4Confident53 Ų5362.8 Ų62.820%0.20133%0.333CS..EExtended strand (participates in β ladder)trans-78.9121.6172.5-64.2107.3000109.4C661 T662 L663 V684 V690 N706 C708 F715 F717C661-W713 HydrophobicContact CB-CD2 3.9Å; C661-W713 VanDerWaalsContact CB-CE2 3.45Å; C661-W713 HydrophobicContact CB-CE3 4.22Å; C661-W713 HydrophobicContact CB-CH2 3.74Å; C661-W713 HydrophobicContact CB-CZ2 3.37Å; C661-W713 HydrophobicContact CB-CZ3 4.15Å; T662-W713 PolarHBondContact O-NE1 2.94Å; L663-W713 HydrophobicContact CD2-CH2 3.83Å; L663-W713 HydrophobicContact CD2-CZ2 3.72Å; L663-W713 HydrophobicContact CG-CZ2 4.39Å; V684-W713 HydrophobicContact CB-CH2 4.01Å; V684-W713 HydrophobicContact CG1-CH2 4.16Å; V684-W713 HydrophobicContact CG2-CH2 4.22Å; V690-W713 HydrophobicContact CB-CH2 4.3Å; V690-W713 HydrophobicContact CB-CZ3 4.18Å; V690-W713 HydrophobicContact CG2-CH2 3.57Å; V690-W713 HydrophobicContact CG2-CZ3 3.65Å; N706-W713 HydrophobicContact CB-CE3 4.21Å; C708-W713 HydrophobicContact CB-CE3 4.41Å; C708-W713 HydrophobicContact CB-CH2 4.37Å; C708-W713 HydrophobicContact CB-CZ3 3.94Å; W713-F715 WeakPolarHBondContact CB-O 3.36Å; W713-F715 PolarHBondContact O-N 2.95Å; W713-F717 HydrophobicContact CD2-CD2 4.49Å; W713-F717 AromaticContact CD2-CE2 3.52Å; W713-F717 HydrophobicContact CD2-CE2 3.52Å; W713-F717 AromaticContact CD2-CZ 3.99Å; W713-F717 HydrophobicContact CD2-CZ 3.99Å; W713-F717 AromaticContact CE2-CE2 3.69Å; W713-F717 AromaticContact CE3-CE2 3.76Å; W713-F717 HydrophobicContact CE3-CE2 3.76Å; W713-F717 AromaticContact CE3-CZ 3.73Å; W713-F717 HydrophobicContact CE3-CZ 3.73Å; W713-F717 AromaticContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CH2-CE2 4.33Å; W713-F717 HydrophobicContact CH2-CZ 4.08Å; W713-F717 HydrophobicContact CZ2-CE2 4.1Å; W713-F717 HydrophobicContact CZ2-CZ 4.3Å; W713-F717 HydrophobicContact CZ3-CE2 4.16Å; W713-F717 AromaticContact CZ3-CZ 3.78Å; W713-F717 HydrophobicContact CZ3-CZ 3.78Å
714K80Confident74.8Confident122 Ų12265.6 Ų65.653%0.5335%0.347SS..SBendtrans-54.4-30.9-174.2-174.2169.8-178.8169.80113.4L707L707-K714 HydrophobicContact CB-CB 4.29Å; L707-K714 HydrophobicContact CB-CD 4.45Å; L707-K714 HydrophobicContact CD2-CD 4.27Å; L707-K714 PolarHBondContact O-N 2.84Å
715F80.5Confident72.7Confident122 Ų12268.1 Ų68.154%0.53535%0.351SS..SBendtrans-138.7174.4167.6-52.8-77.2000110L703 N706 W713L703-F715 HydrophobicContact CD1-CB 3.36Å; L703-F715 HydrophobicContact CD1-CD1 4.49Å; L703-F715 HydrophobicContact CD1-CD2 3.91Å; L703-F715 HydrophobicContact CD1-CG 3.69Å; N706-F715 VanDerWaalsContact CG-O 3.3Å; N706-F715 PolarHBondContact ND2-O 3.23Å; N706-F715 VanDerWaalsContact ND2-O 3.15Å; N706-F715 PolarHBondContact OD1-N 2.88Å; N706-F715 PolarHBondContact OD1-O 3.23Å; N706-F715 VanDerWaalsContact OD1-O 3.12Å; W713-F715 WeakPolarHBondContact CB-O 3.36Å; W713-F715 PolarHBondContact O-N 2.95Å
716S76.7Confident70.2Confident93 Ų9367.3 Ų67.365%0.6536%0.355SS*.PPolyproline II helixtrans-77.9131.7169.457.20000111.3
717F80.7Confident67.8Low7 Ų770.4 Ų70.43%0.03137%0.372CS..BIsolated β-bridgetrans-58.2151.7168.5-70.1-79.9000111.4P664 R666 F671 V690 I692 N706 W713P664-F717 HydrophobicContact CG-CD2 4.1Å; P664-F717 HydrophobicContact CG-CE2 4.3Å; R666-F717 PolarHBondContact NH1-O 3.09Å; R666-F717 PolarHBondContact NH2-O 2.76Å; F671-F717 HydrophobicContact CD1-CD1 4.5Å; F671-F717 HydrophobicContact CD1-CE1 4.01Å; F671-F717 HydrophobicContact CD1-CE2 4.49Å; F671-F717 HydrophobicContact CD1-CZ 4.01Å; F671-F717 AromaticContact CE1-CD1 3.88Å; F671-F717 HydrophobicContact CE1-CD1 3.88Å; F671-F717 AromaticContact CE1-CD2 3.92Å; F671-F717 HydrophobicContact CE1-CD2 3.92Å; F671-F717 AromaticContact CE1-CE1 3.76Å; F671-F717 HydrophobicContact CE1-CE1 3.76Å; F671-F717 AromaticContact CE1-CE2 3.81Å; F671-F717 HydrophobicContact CE1-CE2 3.81Å; F671-F717 AromaticContact CE1-CG 3.96Å; F671-F717 HydrophobicContact CE1-CG 3.96Å; F671-F717 AromaticContact CE1-CZ 3.73Å; F671-F717 HydrophobicContact CE1-CZ 3.73Å; V690-F717 HydrophobicContact CB-CE1 4.24Å; V690-F717 HydrophobicContact CB-CZ 4.06Å; V690-F717 HydrophobicContact CG1-CE1 4.36Å; V690-F717 HydrophobicContact CG1-CZ 4.23Å; I692-F717 HydrophobicContact CB-CD1 3.89Å; I692-F717 HydrophobicContact CB-CE1 4.41Å; I692-F717 HydrophobicContact CD1-CB 4.24Å; I692-F717 HydrophobicContact CG2-CB 4.27Å; I692-F717 HydrophobicContact CG2-CD1 3.76Å; I692-F717 HydrophobicContact CG2-CG 4.45Å; N706-F717 HydrophobicContact CB-CD1 3.89Å; N706-F717 HydrophobicContact CB-CE1 3.55Å; N706-F717 HydrophobicContact CB-CE2 4.37Å; N706-F717 HydrophobicContact CB-CG 4.45Å; N706-F717 HydrophobicContact CB-CZ 3.81Å; W713-F717 HydrophobicContact CD2-CD2 4.49Å; W713-F717 AromaticContact CD2-CE2 3.52Å; W713-F717 HydrophobicContact CD2-CE2 3.52Å; W713-F717 AromaticContact CD2-CZ 3.99Å; W713-F717 HydrophobicContact CD2-CZ 3.99Å; W713-F717 AromaticContact CE2-CE2 3.69Å; W713-F717 AromaticContact CE3-CE2 3.76Å; W713-F717 HydrophobicContact CE3-CE2 3.76Å; W713-F717 AromaticContact CE3-CZ 3.73Å; W713-F717 HydrophobicContact CE3-CZ 3.73Å; W713-F717 AromaticContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CG-CE2 3.98Å; W713-F717 HydrophobicContact CH2-CE2 4.33Å; W713-F717 HydrophobicContact CH2-CZ 4.08Å; W713-F717 HydrophobicContact CZ2-CE2 4.1Å; W713-F717 HydrophobicContact CZ2-CZ 4.3Å; W713-F717 HydrophobicContact CZ3-CE2 4.16Å; W713-F717 AromaticContact CZ3-CZ 3.78Å; W713-F717 HydrophobicContact CZ3-CZ 3.78Å
718G79.3Confident65.2Low3 Ų371.9 Ų71.93%0.03139%0.386CS..PPolyproline II helixtrans-63.1158.6169.500000114.1R666 I692 E701 L703R666-G718 VanDerWaalsContact NH1-C 3.3Å; R666-G718 PolarHBondContact NH1-O 3.39Å; I692-G718 WeakPolarHBondContact CD1-O 3.25Å; E701-G718 CarbonylContact O-C 3.53Å; E701-G718 WeakPolarHBondContact O-CA 2.54Å; L703-G718 PolarHBondContact O-N 3.23Å
719K77.9Confident62.5Low131 Ų13177.9 Ų77.957%0.5742%0.423SS*.EExtended strand (participates in β ladder)trans-100.3148.6175.6-71.8175.7-177.7171.30109.9L700 E701 F721L700-K719 WeakPolarHBondContact CA-O 3.27Å; E701-K719 PolarHBondContact N-O 2.83Å; E701-K719 PolarHBondContact O-N 2.78Å; K719-F721 HydrophobicContact CB-CD2 4.04Å; K719-F721 HydrophobicContact CB-CE2 3.48Å; K719-F721 VanDerWaalsContact CB-CE2 3.48Å; K719-F721 HydrophobicContact CB-CZ 3.99Å; K719-F721 HydrophobicContact CD-CE2 4.12Å; K719-F721 HydrophobicContact CD-CZ 3.85Å; K719-F721 HydrophobicContact CG-CE2 4.45Å
720C75.6Confident60.2Low18 Ų1881.1 Ų81.112%0.12244%0.437CS..EExtended strand (participates in β ladder)trans-98.8101.5177.6-68.60000110.4N668 S669 C694 H698 V699N668-C720 VanDerWaalsContact O-CB 3.28Å; N668-C720 WeakPolarHBondContact O-CB 3.38Å; N668-C720 PolarHBondContact O-SG 2.86Å; S669-C720 VanDerWaalsContact CB-SG 3.51Å; C694-C720 WeakPolarHBondContact CA-SG 3.38Å; C694-C720 HydrophobicContact CB-CB 3.8Å; C694-C720 WeakPolarHBondContact CB-SG 3.48Å; C694-C720 WeakPolarHBondContact SG-CA 3.21Å; C694-C720 WeakPolarHBondContact SG-CB 3.2Å; C694-C720 CovalentContact SG-SG 2.04Å; C694-C720 PolarHBondContact SG-SG 3.48Å; H698-C720 HydrophobicContact CB-CB 4.04Å; H698-C720 PolarHBondContact CD2-O 2.95Å; V699-C720 WeakPolarHBondContact O-CA 3.47Å
721F65.6Low58Low93 Ų9384.8 Ų84.841%0.40845%0.448SS..EExtended strand (participates in β ladder)trans-95142.6179.1-68.7-84.2000110.9H698 V699 E701 K719 S723H698-F721 CarbonylContact C-O 3.54Å; H698-F721 WeakPolarHBondContact CA-O 3.35Å; H698-F721 WeakPolarHBondContact CB-O 3.47Å; H698-F721 VanDerWaalsContact CD2-C 3.5Å; V699-F721 PolarHBondContact N-O 3.35Å; V699-F721 PolarHBondContact O-N 3.43Å; E701-F721 HydrophobicContact CB-CD2 3.81Å; E701-F721 HydrophobicContact CB-CE2 3.97Å; E701-F721 VanDerWaalsContact OE2-CD2 3.24Å; E701-F721 WeakPolarHBondContact OE2-CD2 3.11Å; E701-F721 WeakPolarHBondContact OE2-CE2 3.44Å; K719-F721 HydrophobicContact CB-CD2 4.04Å; K719-F721 HydrophobicContact CB-CE2 3.48Å; K719-F721 VanDerWaalsContact CB-CE2 3.48Å; K719-F721 HydrophobicContact CB-CZ 3.99Å; K719-F721 HydrophobicContact CD-CE2 4.12Å; K719-F721 HydrophobicContact CD-CZ 3.85Å; K719-F721 HydrophobicContact CG-CE2 4.45Å; F721-S723 PolarHBondContact O-N 3.24Å
722P48.3Very low55.9Low69 Ų6989.2 Ų89.245%0.44847%0.473SS..EExtended strand (participates in β ladder)trans-61.2134.9174.327.1-34.1000109.5H698 I724H698-P722 VanDerWaalsContact CD2-N 3.3Å; P722-I724 HydrophobicContact CB-CG1 4.41Å; P722-I724 HydrophobicContact CG-CD1 4.11Å; P722-I724 HydrophobicContact CG-CG1 4.34Å; P722-I724 PolarHBondContact O-N 3.36Å
723S50.5Low53.5Low21 Ų2191.3 Ų91.315%0.14749%0.489CS..  trans-68.395.6175.9176.40000109.7G697 F721 E778G697-S723 PolarHBondContact O-N 2.76Å; F721-S723 PolarHBondContact O-N 3.24Å; S723-E778 WeakPolarHBondContact O-CG 3.42Å
724I45Very low51Low132 Ų13294.4 Ų94.468%0.67752%0.516SS*.  trans-106.5126.9175.4-59.1170.5000109P722 E778P722-I724 HydrophobicContact CB-CG1 4.41Å; P722-I724 HydrophobicContact CG-CD1 4.11Å; P722-I724 HydrophobicContact CG-CG1 4.34Å; P722-I724 PolarHBondContact O-N 3.36Å; I724-E778 WeakPolarHBondContact CA-OE1 3.5Å
725K35.8Very low48.5Very low117 Ų11796.2 Ų96.251%0.50953%0.531SS..  trans-144.3118.2165.9-77.7-169.1175.5-175.20113Y777 E778K725-Y777 HydrophobicContact CB-CE1 3.59Å; K725-Y777 VanDerWaalsContact CB-OH 3.31Å; K725-Y777 WeakPolarHBondContact CB-OH 3.38Å; K725-Y777 HydrophobicContact CD-CE1 4.25Å; K725-Y777 HydrophobicContact CD-CE2 4Å; K725-Y777 WeakPolarHBondContact CD-OH 3.26Å; K725-Y777 HydrophobicContact CG-CE1 4.46Å; K725-E778 PolarHBondContact N-OE1 3.39Å
726S32.4Very low46Very low67 Ų6798.4 Ų98.447%0.46954%0.54SS..  trans-89.4175.6176.957.60000114.1S432S432-S726 PolarHBondContact O-OG 3.24Å
727N32.6Very low43.7Very low68 Ų68102.1 Ų102.136%0.36455%0.552SS.*  trans76.6153.4170.3-64.91.8000119.6S430 W431S430-N727 PolarHBondContact OG-ND2 3.01Å; W431-N727 PolarHBondContact O-ND2 3.07Å
728S32.6Very low41.4Very low82 Ų82107.1 Ų107.157%0.57358%0.578SS**  -178.6175-83.960.60000112.6
729T29.9Very low39.2Very low125 Ų125114.6 Ų114.677%0.76762%0.617SS**  trans79.1161.8169.376.60000118.7
730K32.1Very low37.1Very low180 Ų180111.7 Ų111.778%0.78363%0.625SS**  trans62.7121.9-174.6-59.2-163.8169.5-161.40116.5
731E30.2Very low34.9Very low162 Ų162115.8 Ų115.876%0.75765%0.653SS**  cis-149.5137.8-7.5-129.7151.4-122.100110
732C28.6Very low33.3Very low126 Ų126117.4 Ų117.485%0.85167%0.665SS**  trans-118.1116.1-179.1-67.60000109.4
733C27.4Very low32.4Very low127 Ų127120.5 Ų120.586%0.85868%0.683SS**  trans-63.4130.4165.3-65.30000109.4
734P28.8Very low31.5Very low118 Ų118125.4 Ų125.477%0.76671%0.714SS**  trans-80.9142.3-169.731.4-35.5000112.5
735L28.7Very low30.8Very low159 Ų159124.9 Ų124.983%0.83272%0.722SS**  trans-117.8111.6158.9-71.8176.9000108.5
736K28.3Very low30.9Very low169 Ų169124.7 Ų124.774%0.73573%0.733SS**  trans-90.3133.2-176.3-155.6177.3-173.8-177.10108.9I738K736-I738 PolarHBondContact O-N 3.42Å
737L28.3Very low31.1Very low170 Ų170127.7 Ų127.789%0.8975%0.748SS**  trans-73.7110.3174.5-89.8156.8000110
738I31.3Very low31.1Very low112 Ų112132.8 Ų132.857%0.57477%0.77SS**  trans-137.8127.7164-54.3179.7000106K736 G740K736-I738 PolarHBondContact O-N 3.42Å; I738-G740 VanDerWaalsContact C-N 3.3Å; I738-G740 PolarHBondContact O-N 3.37Å
739D32.4Very low31Very low160 Ų160133 Ų13386%0.85678%0.777SS**THydrogen-bonded Turntrans45.336.9167.4-54-16.3000118.5S741D739-S741 VanDerWaalsContact C-N 3.34Å; D739-S741 PolarHBondContact O-N 2.9Å
740G34Very low31Very low71 Ų71135 Ų13573%0.73278%0.783SS**THydrogen-bonded Turntrans78.6-9149.200000118.6I738I738-G740 VanDerWaalsContact C-N 3.3Å; I738-G740 PolarHBondContact O-N 3.37Å
741S29.2Very low30.9Very low104 Ų104132.4 Ų132.473%0.72779%0.786SS**  trans-140.2126.4-178.5-59.10000112.7D739D739-S741 VanDerWaalsContact C-N 3.34Å; D739-S741 PolarHBondContact O-N 2.9Å
742L32.3Very low30.8Very low126 Ų126130.7 Ų130.766%0.6679%0.789SS**  trans-141.2148.9174.7-80.7175.5000113.8
743V30.9Very low30.8Very low134 Ų134130.3 Ų130.381%0.81279%0.785SS**  trans-141144.3-167.4175.50000109.2
744P30.1Very low31Very low124 Ų124130 Ų13081%0.80578%0.781SS**  trans-90.7153.3178.735.5-34.9000114.1
745S31.5Very low31Very low121 Ų121128.6 Ų128.685%0.84678%0.78SS**  trans-144.6154.6171.1-158.40000110.6
746P38.4Very low30.9Very low114 Ų114129.2 Ų129.274%0.7478%0.784SS**  trans-118.8-162.9-157.144.3-33.5000115.9
747V36Very low31Very low129 Ų129125.4 Ų125.478%0.78278%0.778SS**  trans103.3127-171.3176.70000110.2
748E33.2Very low31.2Very low175 Ų175124 Ų12482%0.81877%0.771SS**  cis-140.4121.310-137.8147.5-130.600108.4
749A29.9Very low31.1Very low88 Ų88127 Ų12773%0.72778%0.776SS**  81.373.585.100000117.6
750N29.9Very low31Very low167 Ų167122.1 Ų122.189%0.89375%0.751SS**  trans-15996.2149.7-117.9-27.8000112.9
751C29.8Very low30.8Very low124 Ų124119.8 Ų119.884%0.83873%0.725SS**  trans-152.6152.9179-79.20000111
752P28.6Very low30.9Very low127 Ų127116.3 Ų116.383%0.82570%0.7SS**  trans-137.6153.1133.636.4-24.8000115.3
753P28.5Very low30.8Very low118 Ų118113.3 Ų113.377%0.76669%0.686SS**  trans-115.3-152.6179.839.2-22.4000111.8
754P31.1Very low30.8Very low121 Ų121113.3 Ų113.379%0.78667%0.672SS**  -124.4169.1-58.531.8-15.1000113.6
755A28.1Very low30.8Very low88 Ų88111.5 Ų111.573%0.72766%0.655SS**  trans-166102.6151.900000114.5
756D27.1Very low30.8Very low171 Ų171108.1 Ų108.191%0.91463%0.63SS**  trans2.3111.8151.1-155.911.2000122
757S29.6Very low30.5Very low89 Ų89105 Ų10562%0.62261%0.61SS**  -165.5159.4123.691.10000113.3
758D33Very low30.3Very low140 Ų140103.6 Ų103.675%0.74960%0.598SS**  trans50.184.6157.4-52-51.4000121V760D758-V760 PolarHBondContact O-N 3.44Å
759R30.4Very low30.2Very low177 Ų177101.8 Ų101.867%0.66859%0.589SS**  trans-91.193.5170.4-70.1-175.9176.7-178.4-0.2113.6C839R759-C839 WeakPolarHBondContact O-CB 3.44Å
760V28.8Very low30.3Very low56 Ų56104.9 Ų104.934%0.33959%0.589SS.*  trans-118.1117.1168.3169.60000110.2D758 V787 Y805D758-V760 PolarHBondContact O-N 3.44Å; V760-V787 WeakPolarHBondContact O-CG2 3.37Å; V760-Y805 HydrophobicContact CG1-CD2 3.54Å; V760-Y805 HydrophobicContact CG1-CE2 3.97Å; V760-Y805 HydrophobicContact CG1-CG 4.06Å; V760-Y805 HydrophobicContact CG2-CE2 4.42Å
761A29.6Very low30.5Very low22 Ų22104 Ų10418%0.18259%0.588CS.*EExtended strand (participates in β ladder)trans-95.7103.1176.700000111.1V763 Y805 A806A761-V763 PolarHBondContact O-N 2.99Å; A761-Y805 VanDerWaalsContact O-CA 3.31Å; A761-Y805 WeakPolarHBondContact O-CA 3.42Å; A761-Y805 VanDerWaalsContact O-CB 3.32Å; A761-Y805 WeakPolarHBondContact O-CB 3.27Å; A761-A806 WeakPolarHBondContact CB-O 3.48Å; A761-A806 PolarHBondContact N-O 3.42Å; A761-A806 PolarHBondContact O-N 2.6Å
762V31.1Very low30.4Very low32 Ų32104.9 Ų104.919%0.19459%0.585CS.*EExtended strand (participates in β ladder)trans-69124175.9178.20000110V787 V803V762-V787 HydrophobicContact CG2-CG2 4.39Å; V762-V803 HydrophobicContact CG1-CG1 3.68Å
763V30.9Very low30.5Very low63 Ų63106.6 Ų106.638%0.38259%0.588SS.*EExtended strand (participates in β ladder)trans-95.3117.1177.7-179.20000108.9A761 K804 A806A761-V763 PolarHBondContact O-N 2.99Å; V763-K804 PolarHBondContact N-O 2.93Å; V763-A806 HydrophobicContact CG2-CB 4.43Å
764W30.7Very low30.5Very low134 Ų134104.6 Ų104.651%0.50859%0.588SS.*PPolyproline II helixtrans-82.5121.2-171.6-158.275.8000112.2P766W764-P766 HydrophobicContact CE3-CG 4.23Å; W764-P766 HydrophobicContact CH2-CB 3.72Å; W764-P766 HydrophobicContact CH2-CG 3.89Å; W764-P766 HydrophobicContact CZ2-CB 4.03Å; W764-P766 HydrophobicContact CZ3-CB 4.01Å; W764-P766 HydrophobicContact CZ3-CG 3.68Å
765L31.6Very low30.6Very low85 Ų85105 Ų10545%0.44559%0.593SS.*  trans-139103.9173.9-70.5170.8000108.3D1035L765-D1035 WeakPolarHBondContact CD1-OD2 3.2Å
766P31.6Very low30.5Very low51 Ų51103.8 Ų103.833%0.33158%0.577SS.*  trans-74.5147.8-170.328.8-34.8000112.8W764 R1047W764-P766 HydrophobicContact CE3-CG 4.23Å; W764-P766 HydrophobicContact CH2-CB 3.72Å; W764-P766 HydrophobicContact CH2-CG 3.89Å; W764-P766 HydrophobicContact CZ2-CB 4.03Å; W764-P766 HydrophobicContact CZ3-CB 4.01Å; W764-P766 HydrophobicContact CZ3-CG 3.68Å; P766-R1047 PolarHBondContact O-NH2 2.88Å
767P32Very low30.6Very low49 Ų49103.1 Ų103.132%0.31856%0.563SS.*  trans-64.8149.2147.1-10.928.1000109.6F1144P767-F1144 HydrophobicContact CB-CZ 3.99Å
768L30.7Very low30.6Very low99 Ų99103.2 Ų103.252%0.51855%0.554SS.*SBendtrans-100109.1163.4-69.2105.3000107.6P696P696-L768 HydrophobicContact CB-CD1 3.97Å; P696-L768 HydrophobicContact CB-CD2 3.76Å; P696-L768 HydrophobicContact CG-CD1 3.87Å; P696-L768 HydrophobicContact CG-CD2 3.94Å
769E31.5Very low30.3Very low137 Ų137101.7 Ų101.764%0.6455%0.554SS**  trans160.2149.8156.4-89.7149.1-150.800109.1F1144E769-F1144 HydrophobicContact CB-CD2 4.25Å; E769-F1144 HydrophobicContact CB-CE1 4.4Å; E769-F1144 HydrophobicContact CB-CE2 3.68Å; E769-F1144 HydrophobicContact CB-CZ 3.76Å; E769-F1144 VanDerWaalsContact OE2-CD2 3.24Å; E769-F1144 WeakPolarHBondContact OE2-CD2 3.35Å; E769-F1144 WeakPolarHBondContact OE2-CE2 3.49Å
770Q31.9Very low30.1Very low153 Ų153100.4 Ų100.472%0.71557%0.566SS**  trans60.280.9175.3-60.1-171.6-7.400118.8
771V33.2Very low30Very low147 Ų147101.7 Ų101.789%0.89158%0.583SS**  -143138.2123.4-172.70000107.5
772D29.3Very low29.9Very low143 Ų143108.6 Ų108.677%0.76562%0.615SS**  trans-70.5156.4176.8-54.8-75.1000112.9
773N30.3Very low29.8Very low164 Ų164117.6 Ų117.688%0.87765%0.645SS**SBendtrans55.485.6166-63.9-12.5000118.2
774G27.3Very low29.7Very low75 Ų75124.4 Ų124.477%0.77366%0.664SS**  trans83.779.8130.800000119.6
775S33.1Very low29.7Very low129 Ų129122 Ų12290%0.90266%0.66SS**  trans-173.5137.7135.231.50000112.8
776T27.8Very low29.7Very low64 Ų64121.3 Ų121.339%0.39367%0.667SS.*  trans-103.9147.5178.353.80000111.3V699V699-T776 HydrophobicContact CG2-CG2 3.91Å
777Y28.7Very low29.8Very low156 Ų156123.3 Ų123.361%0.61268%0.678SS**  trans-165.9165.8150.3-110.2-70.3000113.3K725K725-Y777 HydrophobicContact CB-CE1 3.59Å; K725-Y777 VanDerWaalsContact CB-OH 3.31Å; K725-Y777 WeakPolarHBondContact CB-OH 3.38Å; K725-Y777 HydrophobicContact CD-CE1 4.25Å; K725-Y777 HydrophobicContact CD-CE2 4Å; K725-Y777 WeakPolarHBondContact CD-OH 3.26Å; K725-Y777 HydrophobicContact CG-CE1 4.46Å
778E29.8Very low29.7Very low91 Ų91124.1 Ų124.143%0.42570%0.695SS.*  trans-82.1163-160.4-65.8133.313400117.6S723 I724 K725S723-E778 WeakPolarHBondContact O-CG 3.42Å; I724-E778 WeakPolarHBondContact CA-OE1 3.5Å; K725-E778 PolarHBondContact N-OE1 3.39Å
779S26.9Very low29.6Very low108 Ų108126.9 Ų126.976%0.75571%0.71SS**SBendtrans-86115.3161.457.50000112.2
780T25.5Very low29.5Very low151 Ų151123.7 Ų123.793%0.92672%0.715SS**  trans175.745.8141.932.20000114.1
781A27.8Very low29.6Very low83 Ų83123.4 Ų123.469%0.68672%0.718SS**  trans-142119.8168.700000112.8R783A781-R783 HydrophobicContact CB-CG 4.47Å; A781-R783 PolarHBondContact O-N 3.15Å
782I26.9Very low29.7Very low167 Ų167119.9 Ų119.986%0.85669%0.691SS**  trans-78.672.3166.6-52.2177.9000107.8R784I782-R784 PolarHBondContact O-N 2.99Å
783R27.8Very low30.2Very low220 Ų220116.5 Ų116.583%0.8368%0.678SS**  trans-65.8117.3169.5-84.5-170.1170.8-170.5-2.2108.3A781 I785A781-R783 HydrophobicContact CB-CG 4.47Å; A781-R783 PolarHBondContact O-N 3.15Å; R783-I785 PolarHBondContact O-N 2.75Å
784R29.5Very low30.9Very low207 Ų207114.9 Ų114.978%0.78167%0.67SS**  trans-66.2118.7168.9-58.8178.8-171170.73.7107.5I782I782-R784 PolarHBondContact O-N 2.99Å
785I30.7Very low31.9Very low83 Ų83117 Ų11743%0.42665%0.654SS.*  trans-105.1110.9171.7-59.1178.1000106.9R783 F792R783-I785 PolarHBondContact O-N 2.75Å; I785-F792 HydrophobicContact CG2-CE2 4.11Å
786A31.9Very low32.7Very low71 Ų71119.9 Ų119.959%0.58765%0.645SS**  trans-75.3128.8172.100000109.2G788A786-G788 PolarHBondContact O-N 2.91Å
787V33.2Very low33.7Very low93 Ų93118 Ų11856%0.56463%0.631SS**THydrogen-bonded Turntrans-73.6110.2170.9178.50000107.4V760 V762V760-V787 WeakPolarHBondContact O-CG2 3.37Å; V762-V787 HydrophobicContact CG2-CG2 4.39Å
788G29.2Very low34.5Very low65 Ų65111.7 Ų111.767%0.6761%0.609SS**THydrogen-bonded Turntrans-174.8-38.5-177.100000114.5A786A786-G788 PolarHBondContact O-N 2.91Å
789N30.5Very low35.5Very low157 Ų157109.4 Ų109.484%0.8460%0.6SS**SBendtrans-109109.1-173.1-70.61.5000113.8N791N789-N791 PolarHBondContact O-N 3.33Å
790G28.8Very low36.5Very low71 Ų71105.8 Ų105.873%0.73258%0.576SS**SBendtrans73.1-68.4148.700000119.2
791N32.8Very low37.5Very low147 Ų14798.9 Ų98.979%0.78653%0.534SS*.  trans-11657.4-146.5-72.4-12.1000115.2N789N789-N791 PolarHBondContact O-N 3.33Å
792F36.3Very low38.5Very low72 Ų7297.9 Ų97.932%0.31652%0.517SS..  trans-129.30.2-177.7-109.7-84.5000117.6I785 T1152I785-F792 HydrophobicContact CG2-CE2 4.11Å; F792-T1152 PolarHBondContact O-OG1 2.84Å
793S40.7Very low39.5Very low72 Ų7290.8 Ų90.850%0.50348%0.481SS..SBendtrans-72.5166175.944.60000113R795S793-R795 VanDerWaalsContact C-N 3.29Å; S793-R795 PolarHBondContact O-N 3.29Å
794N44.9Very low40.3Very low131 Ų13182.1 Ų82.170%0.70145%0.449SS*.SBendtrans63.7-0.6171-89.1-4.7000119.5R796N794-R796 PolarHBondContact O-N 3.38Å
795R48.4Very low41.1Very low119 Ų11973.4 Ų73.445%0.44942%0.417SS..  trans-69.1126.5172.9-67.5-169.7-176.9-140.73.5111.1S793 Y797 V1151 T1152S793-R795 VanDerWaalsContact C-N 3.29Å; S793-R795 PolarHBondContact O-N 3.29Å; R795-Y797 HydrophobicContact CB-CE2 3.76Å; R795-Y797 WeakPolarHBondContact O-CD2 3.38Å; R795-Y797 WeakPolarHBondContact O-CE2 3.36Å; R795-V1151 WeakPolarHBondContact O-CA 3.37Å; R795-T1152 PolarHBondContact O-N 3.19Å
796R49.5Very low41.7Very low190 Ų19071 Ų7172%0.71741%0.41SS*.EExtended strand (participates in β ladder)trans-90.1140.9176-65.7-177.1-172.1171.54.3110.9N794 F1149 C1150N794-R796 PolarHBondContact O-N 3.38Å; R796-F1149 HydrophobicContact CB-CB 4Å; R796-F1149 HydrophobicContact CB-CD1 4.09Å; R796-F1149 HydrophobicContact CB-CG 4.18Å; R796-F1149 HydrophobicContact CG-CB 4.37Å; R796-C1150 CarbonylContact C-O 3.53Å; R796-C1150 WeakPolarHBondContact CA-O 3.32Å
797Y48.3Very low42.2Very low24 Ų2469 Ų699%0.09439%0.391CS..EExtended strand (participates in β ladder)trans-127124.7-179.2-70-103.2000109.1R795 V803 C827 W832 F1149 C1150 T1152R795-Y797 HydrophobicContact CB-CE2 3.76Å; R795-Y797 WeakPolarHBondContact O-CD2 3.38Å; R795-Y797 WeakPolarHBondContact O-CE2 3.36Å; Y797-V803 HydrophobicContact CD1-CG2 3.94Å; Y797-V803 HydrophobicContact CE1-CG2 3.69Å; Y797-C827 PolarHBondContact O-SG 3.26Å; Y797-W832 AromaticContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CZ2 4.21Å; Y797-W832 AromaticContact CD2-CH2 3.92Å; Y797-W832 HydrophobicContact CD2-CH2 3.92Å; Y797-W832 AromaticContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CE1-CH2 4.19Å; Y797-W832 HydrophobicContact CE2-CH2 4.46Å; Y797-W832 HydrophobicContact CE2-CZ2 4.12Å; Y797-W832 AromaticContact CG-CH2 3.49Å; Y797-W832 HydrophobicContact CG-CH2 3.49Å; Y797-W832 VanDerWaalsContact CG-CH2 3.49Å; Y797-W832 AromaticContact CG-CZ2 3.66Å; Y797-W832 HydrophobicContact CG-CZ2 3.66Å; Y797-F1149 CarbonylContact O-C 3.5Å; Y797-F1149 VanDerWaalsContact O-CA 3.22Å; Y797-F1149 WeakPolarHBondContact O-CA 3.31Å; Y797-C1150 PolarHBondContact N-O 2.8Å; Y797-C1150 PolarHBondContact O-N 3.28Å; Y797-T1152 HydrophobicContact CD2-CG2 4.12Å; Y797-T1152 HydrophobicContact CE2-CG2 3.32Å
798P46.3Very low42.7Very low23 Ų2368.6 Ų68.615%0.14938%0.383CS..  trans-56.5155.4177.8-2633.2000113.4S801 C827 F1144 F1149P798-S801 WeakPolarHBondContact CD-OG 3.34Å; P798-S801 WeakPolarHBondContact O-CB 3.44Å; P798-S801 PolarHBondContact O-N 3.41Å; P798-S801 VanDerWaalsContact O-N 3.08Å; P798-S801 PolarHBondContact O-OG 3.33Å; P798-C827 WeakPolarHBondContact O-CB 3.4Å; P798-C827 PolarHBondContact O-SG 2.87Å; P798-C827 VanDerWaalsContact O-SG 3.35Å; P798-F1144 HydrophobicContact CB-CD1 4.37Å; P798-F1144 HydrophobicContact CB-CE1 4.39Å; P798-F1144 HydrophobicContact CG-CD1 3.76Å; P798-F1144 HydrophobicContact CG-CE1 3.39Å; P798-F1144 HydrophobicContact CG-CZ 4.21Å; P798-F1149 HydrophobicContact CG-CD1 4.49Å; P798-F1149 HydrophobicContact CG-CE1 4.37Å
799N49.5Very low43.5Very low44 Ų4471.4 Ų71.424%0.23537%0.373CS..THydrogen-bonded Turntrans-53.1145.4170.3-155.7-5.6000110.7S801 C827 V828 D829N799-S801 VanDerWaalsContact C-N 3.26Å; N799-S801 PolarHBondContact O-N 3.23Å; N799-C827 PolarHBondContact OD1-O 2.99Å; N799-V828 VanDerWaalsContact OD1-CA 3.32Å; N799-V828 WeakPolarHBondContact OD1-CA 3.41Å; N799-D829 PolarHBondContact ND2-OD1 3.01Å; N799-D829 PolarHBondContact OD1-N 2.68Å
800A47.7Very low43.8Very low31 Ų3166.4 Ų66.426%0.25635%0.349SS..THydrogen-bonded Turntrans62.68.3-169.400000117.8I802 C827A800-I802 PolarHBondContact O-N 2.88Å; A800-C827 WeakPolarHBondContact CA-O 3.28Å; A800-C827 PolarHBondContact N-O 2.6Å
801S46.7Very low44.3Very low6 Ų670.5 Ų70.54%0.04235%0.349CS..  trans-61123.5171.9-65.70000112.2P798 N799 Q826 C827P798-S801 WeakPolarHBondContact CD-OG 3.34Å; P798-S801 WeakPolarHBondContact O-CB 3.44Å; P798-S801 PolarHBondContact O-N 3.41Å; P798-S801 VanDerWaalsContact O-N 3.08Å; P798-S801 PolarHBondContact O-OG 3.33Å; N799-S801 VanDerWaalsContact C-N 3.26Å; N799-S801 PolarHBondContact O-N 3.23Å; S801-Q826 CarbonylContact O-C 3.49Å; S801-Q826 WeakPolarHBondContact O-CA 3.29Å; S801-C827 PolarHBondContact O-N 2.02Å
802I48.6Very low44.6Very low63 Ų6369.1 Ų69.132%0.32335%0.346SS..EExtended strand (participates in β ladder)trans-102.2111.6174.3-56.3175.9000109A800 Q826 I1045A800-I802 PolarHBondContact O-N 2.88Å; I802-Q826 HydrophobicContact CG1-CG 4.21Å; I802-I1045 HydrophobicContact CD1-CG2 4.25Å
803V48.8Very low44.4Very low17 Ų1770.5 Ų70.510%0.10336%0.357CS..EExtended strand (participates in β ladder)trans-96.3128172.8173.90000108.8V762 Y797 S824 V825 W832V762-V803 HydrophobicContact CG1-CG1 3.68Å; Y797-V803 HydrophobicContact CD1-CG2 3.94Å; Y797-V803 HydrophobicContact CE1-CG2 3.69Å; V803-S824 CarbonylContact O-C 3.52Å; V803-S824 WeakPolarHBondContact O-CA 3.44Å; V803-S824 WeakPolarHBondContact O-CB 3.49Å; V803-V825 HydrophobicContact CB-CG2 3.8Å; V803-V825 HydrophobicContact CG1-CG2 4.35Å; V803-V825 PolarHBondContact N-O 2.91Å; V803-V825 PolarHBondContact O-N 3.15Å; V803-W832 HydrophobicContact CB-CZ3 4.33Å; V803-W832 HydrophobicContact CG2-CH2 3.67Å; V803-W832 HydrophobicContact CG2-CZ3 3.85Å
804K44.8Very low44.3Very low38 Ų3879.1 Ų79.117%0.16538%0.379CS..EExtended strand (participates in β ladder)trans-92.9148.1175.5-74.4-178.6174.9177.50111.4V763 M823 D1035 A1036V763-K804 PolarHBondContact N-O 2.93Å; K804-M823 CarbonylContact C-O 3.5Å; K804-M823 VanDerWaalsContact CA-O 3.23Å; K804-M823 WeakPolarHBondContact CA-O 3.34Å; K804-D1035 WeakPolarHBondContact CE-OD1 3.04Å; K804-D1035 IonicContact NZ-OD1 3.99Å; K804-D1035 PolarHBondContact NZ-OD1 2.83Å; K804-A1036 WeakPolarHBondContact CE-O 3.5Å; K804-A1036 PolarHBondContact NZ-O 2.97Å
805Y45.8Very low43.8Very low25 Ų2578 Ų7810%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-141.6161.6173.965.5-80.8000111.8V760 A761 A822 M823 V825V760-Y805 HydrophobicContact CG1-CD2 3.54Å; V760-Y805 HydrophobicContact CG1-CE2 3.97Å; V760-Y805 HydrophobicContact CG1-CG 4.06Å; V760-Y805 HydrophobicContact CG2-CE2 4.42Å; A761-Y805 VanDerWaalsContact O-CA 3.31Å; A761-Y805 WeakPolarHBondContact O-CA 3.42Å; A761-Y805 VanDerWaalsContact O-CB 3.32Å; A761-Y805 WeakPolarHBondContact O-CB 3.27Å; Y805-A822 WeakPolarHBondContact O-CA 3.3Å; Y805-M823 HydrophobicContact CD1-CB 3.84Å; Y805-M823 HydrophobicContact CD2-CB 4.01Å; Y805-M823 HydrophobicContact CD2-CE 4.18Å; Y805-M823 HydrophobicContact CD2-CG 4.48Å; Y805-M823 HydrophobicContact CD2-SD 3.79Å; Y805-M823 HydrophobicContact CE1-CB 3.66Å; Y805-M823 HydrophobicContact CE1-CE 4.25Å; Y805-M823 HydrophobicContact CE2-CB 3.92Å; Y805-M823 HydrophobicContact CE2-CE 3.24Å; Y805-M823 HydrophobicContact CE2-CG 4.34Å; Y805-M823 HydrophobicContact CE2-SD 3.43Å; Y805-M823 WeakPolarHBondContact CE2-SD 3.04Å; Y805-M823 HydrophobicContact CG-CB 4.04Å; Y805-M823 PolarHBondContact N-O 3.5Å; Y805-M823 PolarHBondContact O-N 3.21Å; Y805-M823 WeakPolarHBondContact OH-CE 3.42Å; Y805-V825 HydrophobicContact CE1-CG1 3.87Å
806A42.2Very low43Very low33 Ų3374.6 Ų74.627%0.27338%0.378SS..EExtended strand (participates in β ladder)trans-140.4146.5-178.700000111.1A761 V763A761-A806 WeakPolarHBondContact CB-O 3.48Å; A761-A806 PolarHBondContact N-O 3.42Å; A761-A806 PolarHBondContact O-N 2.6Å; V763-A806 HydrophobicContact CG2-CB 4.43Å
807C44.4Very low42.3Very low28 Ų2874.9 Ų74.919%0.18938%0.379CS..PPolyproline II helixtrans-82122.5176.5-51.60000110.4P820 C839C807-P820 HydrophobicContact CB-CB 3.98Å; C807-P820 HydrophobicContact CB-CG 4Å; C807-C839 WeakPolarHBondContact CA-SG 2.98Å; C807-C839 HydrophobicContact CB-CB 3.69Å; C807-C839 WeakPolarHBondContact CB-SG 3.13Å; C807-C839 WeakPolarHBondContact SG-CA 3.13Å; C807-C839 WeakPolarHBondContact SG-CB 3.42Å; C807-C839 CovalentContact SG-SG 2.04Å; C807-C839 PolarHBondContact SG-SG 2.85Å
808Q41.7Very low41.9Very low85 Ų8578.9 Ų78.940%0.39740%0.399SS..PPolyproline II helixtrans-72.5131.5176.4-177.4170.4-12.400110.1
809R46.1Very low41.4Very low124 Ų12487.9 Ų87.947%0.46843%0.43SS..PPolyproline II helixtrans-61.7141.3174-74.8-175.6172.6178.5-3110.5E811 A816 R817 Q818R809-E811 PolarHBondContact O-N 3.06Å; R809-A816 PolarHBondContact NH2-O 2.92Å; R809-R817 PolarHBondContact NH2-O 3.46Å; R809-Q818 PolarHBondContact NE-O 3.25Å; R809-Q818 PolarHBondContact NH2-O 3.18Å
810P38.3Very low40.9Very low52 Ų5289.3 Ų89.334%0.33844%0.441SS..PPolyproline II helixtrans-58.8128.7159.1-18.831.8000109.4T812P810-T812 PolarHBondContact O-N 3.4Å
811E38.5Very low40.4Very low157 Ų15793.2 Ų93.273%0.73445%0.454SS*.THydrogen-bonded Turntrans-77.6-5.9-179-64.5179.215100112.3R809R809-E811 PolarHBondContact O-N 3.06Å
812T40Very low40.1Very low117 Ų11796.1 Ų96.172%0.71848%0.479SS*.THydrogen-bonded Turntrans-80.2-13-17746.30000115.2P810P810-T812 PolarHBondContact O-N 3.4Å
813N32.1Very low40.2Very low102 Ų10293.7 Ų93.755%0.54547%0.466SS..  trans-132.594.2-168.6-152.1-32.5000113S815N813-S815 PolarHBondContact O-N 2.84Å
814R38.4Very low40.1Very low253 Ų25393 Ų9396%0.95546%0.462SS*.THydrogen-bonded Turntrans-67.8-10.4-176-71.3-175.3175-174.2-1.7114.5
815S33.8Very low40.4Very low106 Ų10691.8 Ų91.874%0.74146%0.458SS*.THydrogen-bonded Turntrans-91.9-13.4-168.3-50.20000115.2N813 R817N813-S815 PolarHBondContact O-N 2.84Å; S815-R817 PolarHBondContact O-N 2.94Å
816A31.8Very low40.6Very low48 Ų4892.7 Ų92.740%0.39746%0.463SS..  trans-87.8104.8-172.800000113.1R809 Q818R809-A816 PolarHBondContact NH2-O 2.92Å; A816-Q818 PolarHBondContact O-N 3.34Å
817R35.5Very low41.2Very low196 Ų19691.1 Ų91.174%0.7445%0.45SS*.  trans-67.6-28.8-175.7-83-173.9170.7-173.6-3115.5R809 S815R809-R817 PolarHBondContact NH2-O 3.46Å; S815-R817 PolarHBondContact O-N 2.94Å
818Q38.6Very low41.6Very low109 Ų10991.9 Ų91.951%0.50945%0.453SS..  trans-76.1154.4-165.9-69.5179.9-11.500115.2R809 A816R809-Q818 PolarHBondContact NE-O 3.25Å; R809-Q818 PolarHBondContact NH2-O 3.18Å; A816-Q818 PolarHBondContact O-N 3.34Å
819R35.7Very low42.1Very low211 Ų21191.6 Ų91.680%0.79646%0.455SS*.  trans-114.8122168.9-67.4-177.2-177.5-1771.7108.6Q821R819-Q821 PolarHBondContact O-N 2.65Å
820P38.4Very low42.3Very low74 Ų7487.1 Ų87.148%0.48145%0.447SS..PPolyproline II helixtrans-57.6130.3164.9-24.836.9000109.6C807C807-P820 HydrophobicContact CB-CB 3.98Å; C807-P820 HydrophobicContact CB-CG 4Å
821Q39.1Very low42.7Very low114 Ų11493.2 Ų93.253%0.53346%0.464SS..PPolyproline II helixtrans-72.7155.4179.2-85.3169.7-43.100111.1R819 M823 H990 R1089R819-Q821 PolarHBondContact O-N 2.65Å; Q821-M823 PolarHBondContact O-N 2.85Å; Q821-H990 PolarHBondContact OE1-CE1 2.83Å; Q821-R1089 VanDerWaalsContact OE1-CZ 3.24Å
822A39.7Very low43.4Very low67 Ų6788.2 Ų88.255%0.55444%0.438SS*.PPolyproline II helixtrans-63.5127.4-176.900000110.8Y805Y805-A822 WeakPolarHBondContact O-CA 3.3Å
823M49.5Very low43.8Very low12 Ų1286.2 Ų86.26%0.05942%0.422CS..EExtended strand (participates in β ladder)trans-97.3171.5-179.5-53.1167.361.800109.8K804 Y805 Q821 L836 R837K804-M823 CarbonylContact C-O 3.5Å; K804-M823 VanDerWaalsContact CA-O 3.23Å; K804-M823 WeakPolarHBondContact CA-O 3.34Å; Y805-M823 HydrophobicContact CD1-CB 3.84Å; Y805-M823 HydrophobicContact CD2-CB 4.01Å; Y805-M823 HydrophobicContact CD2-CE 4.18Å; Y805-M823 HydrophobicContact CD2-CG 4.48Å; Y805-M823 HydrophobicContact CD2-SD 3.79Å; Y805-M823 HydrophobicContact CE1-CB 3.66Å; Y805-M823 HydrophobicContact CE1-CE 4.25Å; Y805-M823 HydrophobicContact CE2-CB 3.92Å; Y805-M823 HydrophobicContact CE2-CE 3.24Å; Y805-M823 HydrophobicContact CE2-CG 4.34Å; Y805-M823 HydrophobicContact CE2-SD 3.43Å; Y805-M823 WeakPolarHBondContact CE2-SD 3.04Å; Y805-M823 HydrophobicContact CG-CB 4.04Å; Y805-M823 PolarHBondContact N-O 3.5Å; Y805-M823 PolarHBondContact O-N 3.21Å; Y805-M823 WeakPolarHBondContact OH-CE 3.42Å; Q821-M823 PolarHBondContact O-N 2.85Å; M823-L836 WeakPolarHBondContact CE-O 3.04Å; M823-R837 WeakPolarHBondContact CE-O 3.41Å
824S48.3Very low44.4Very low3 Ų383.7 Ų83.72%0.02142%0.415CS..EExtended strand (participates in β ladder)trans-146.6162.417566.20000115.4V803 L835V803-S824 CarbonylContact O-C 3.52Å; V803-S824 WeakPolarHBondContact O-CA 3.44Å; V803-S824 WeakPolarHBondContact O-CB 3.49Å; S824-L835 PolarHBondContact N-O 2.99Å; S824-L835 VanDerWaalsContact N-O 3.15Å; S824-L835 CarbonylContact O-C 3.56Å; S824-L835 WeakPolarHBondContact O-CA 3.37Å; S824-L835 WeakPolarHBondContact O-CB 3.47Å; S824-L835 PolarHBondContact O-N 3.48Å
825V51.3Low44.6Very low11 Ų1172.3 Ų72.37%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-128.7129.3167.3-69.40000107.6V803 Y805 W832 I833 W1154V803-V825 HydrophobicContact CB-CG2 3.8Å; V803-V825 HydrophobicContact CG1-CG2 4.35Å; V803-V825 PolarHBondContact N-O 2.91Å; V803-V825 PolarHBondContact O-N 3.15Å; Y805-V825 HydrophobicContact CE1-CG1 3.87Å; V825-W832 HydrophobicContact CB-CE3 4Å; V825-W832 HydrophobicContact CG2-CD2 4.46Å; V825-W832 HydrophobicContact CG2-CE3 3.72Å; V825-W832 HydrophobicContact CG2-CZ3 3.93Å; V825-I833 CarbonylContact C-O 3.54Å; V825-I833 WeakPolarHBondContact CA-O 3.4Å; V825-W1154 HydrophobicContact CG2-CH2 3.73Å; V825-W1154 HydrophobicContact CG2-CZ2 4.39Å
826Q49.1Very low44.7Very low45 Ų4570 Ų7021%0.2135%0.352CS..EExtended strand (participates in β ladder)trans-100.4126177.3-173.8-176.5-33.300108.8S801 I802 V828 I833 L835S801-Q826 CarbonylContact O-C 3.49Å; S801-Q826 WeakPolarHBondContact O-CA 3.29Å; I802-Q826 HydrophobicContact CG1-CG 4.21Å; Q826-V828 HydrophobicContact CB-CG2 4.36Å; Q826-V828 HydrophobicContact CG-CG2 3.82Å; Q826-V828 PolarHBondContact O-N 3.31Å; Q826-I833 PolarHBondContact N-O 3.34Å; Q826-I833 PolarHBondContact O-N 2.7Å; Q826-L835 HydrophobicContact CB-CD1 4.19Å
827C54.9Low45Very low0 Ų073.4 Ų73.40%036%0.355CS..EExtended strand (participates in β ladder)trans-67.2120.9164.3-179.20000108.9Y797 P798 N799 A800 S801 W832 C1150Y797-C827 PolarHBondContact O-SG 3.26Å; P798-C827 WeakPolarHBondContact O-CB 3.4Å; P798-C827 PolarHBondContact O-SG 2.87Å; P798-C827 VanDerWaalsContact O-SG 3.35Å; N799-C827 PolarHBondContact OD1-O 2.99Å; A800-C827 WeakPolarHBondContact CA-O 3.28Å; A800-C827 PolarHBondContact N-O 2.6Å; S801-C827 PolarHBondContact O-N 2.02Å; C827-W832 HydrophobicContact CB-CE3 4.23Å; C827-W832 HydrophobicContact CB-CZ3 4.02Å; C827-C1150 WeakPolarHBondContact CA-SG 3.29Å; C827-C1150 HydrophobicContact CB-CB 3.83Å; C827-C1150 WeakPolarHBondContact CB-SG 3.48Å; C827-C1150 WeakPolarHBondContact SG-CB 3.04Å; C827-C1150 PolarHBondContact SG-N 3.22Å; C827-C1150 VanDerWaalsContact SG-N 3.41Å; C827-C1150 CovalentContact SG-SG 2.02Å; C827-C1150 PolarHBondContact SG-SG 2.85Å
828V52.5Low44.9Very low43 Ų4367.2 Ų67.226%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-133117.9173-176.60000107.6N799 Q826 G830 R831 I833N799-V828 VanDerWaalsContact OD1-CA 3.32Å; N799-V828 WeakPolarHBondContact OD1-CA 3.41Å; Q826-V828 HydrophobicContact CB-CG2 4.36Å; Q826-V828 HydrophobicContact CG-CG2 3.82Å; Q826-V828 PolarHBondContact O-N 3.31Å; V828-G830 VanDerWaalsContact C-N 3.26Å; V828-G830 PolarHBondContact O-N 2.6Å; V828-R831 PolarHBondContact N-O 3.09Å; V828-R831 PolarHBondContact O-N 3.33Å; V828-R831 VanDerWaalsContact O-O 3.11Å; V828-I833 HydrophobicContact CB-CD1 3.63Å; V828-I833 HydrophobicContact CB-CG1 4.01Å; V828-I833 HydrophobicContact CG1-CD1 4.07Å; V828-I833 HydrophobicContact CG2-CB 4.46Å; V828-I833 HydrophobicContact CG2-CD1 3.75Å; V828-I833 HydrophobicContact CG2-CG1 4.12Å
829D52.2Low44.9Very low80 Ų8063.5 Ų63.543%0.42833%0.326SS..THydrogen-bonded Turntrans52.441.4174.6-84.736.5000114.3N799 R831 K1148N799-D829 PolarHBondContact ND2-OD1 3.01Å; N799-D829 PolarHBondContact OD1-N 2.68Å; D829-R831 VanDerWaalsContact C-N 3.25Å; D829-R831 PolarHBondContact O-N 3.32Å; D829-K1148 HydrophobicContact CB-CD 3.69Å; D829-K1148 WeakPolarHBondContact O-CD 3.32Å; D829-K1148 IonicContact OD2-NZ 3.9Å; D829-K1148 PolarHBondContact OD2-NZ 2.89Å
830G51Low44.8Very low30 Ų3061.4 Ų61.431%0.30932%0.323SS..THydrogen-bonded Turntrans77.83.3-179.600000115V828 K1148 F1149 C1150V828-G830 VanDerWaalsContact C-N 3.26Å; V828-G830 PolarHBondContact O-N 2.6Å; G830-K1148 PolarHBondContact N-O 2.93Å; G830-F1149 WeakPolarHBondContact CA-O 3.07Å; G830-C1150 VanDerWaalsContact CA-SG 3.5Å
831R46.9Very low44.5Very low180 Ų18060.3 Ų60.368%0.67932%0.317SS*.EExtended strand (participates in β ladder)trans-112.1144.9173.7-60.6-177.1-179.4178.42.4111.5V828 D829 I833 C1150V828-R831 PolarHBondContact N-O 3.09Å; V828-R831 PolarHBondContact O-N 3.33Å; V828-R831 VanDerWaalsContact O-O 3.11Å; D829-R831 VanDerWaalsContact C-N 3.25Å; D829-R831 PolarHBondContact O-N 3.32Å; R831-I833 PolarHBondContact O-N 2.84Å; R831-C1150 PolarHBondContact N-SG 3.5Å; R831-C1150 PolarHBondContact O-SG 3.2Å
832W53.4Low44Very low52 Ų5261 Ų6120%0.19732%0.321CS..EExtended strand (participates in β ladder)trans-81.3111.1169.2-66.7111000110.1Y797 V803 V825 C827 C1150 V1151 T1152 W1154Y797-W832 AromaticContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CH2 3.66Å; Y797-W832 HydrophobicContact CD1-CZ2 4.21Å; Y797-W832 AromaticContact CD2-CH2 3.92Å; Y797-W832 HydrophobicContact CD2-CH2 3.92Å; Y797-W832 AromaticContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CD2-CZ2 3.59Å; Y797-W832 HydrophobicContact CE1-CH2 4.19Å; Y797-W832 HydrophobicContact CE2-CH2 4.46Å; Y797-W832 HydrophobicContact CE2-CZ2 4.12Å; Y797-W832 AromaticContact CG-CH2 3.49Å; Y797-W832 HydrophobicContact CG-CH2 3.49Å; Y797-W832 VanDerWaalsContact CG-CH2 3.49Å; Y797-W832 AromaticContact CG-CZ2 3.66Å; Y797-W832 HydrophobicContact CG-CZ2 3.66Å; V803-W832 HydrophobicContact CB-CZ3 4.33Å; V803-W832 HydrophobicContact CG2-CH2 3.67Å; V803-W832 HydrophobicContact CG2-CZ3 3.85Å; V825-W832 HydrophobicContact CB-CE3 4Å; V825-W832 HydrophobicContact CG2-CD2 4.46Å; V825-W832 HydrophobicContact CG2-CE3 3.72Å; V825-W832 HydrophobicContact CG2-CZ3 3.93Å; C827-W832 HydrophobicContact CB-CE3 4.23Å; C827-W832 HydrophobicContact CB-CZ3 4.02Å; W832-C1150 HydrophobicContact CD2-CB 4.02Å; W832-C1150 HydrophobicContact CG-CB 4.45Å; W832-C1150 HydrophobicContact CH2-CB 4.44Å; W832-C1150 HydrophobicContact CZ2-CB 3.89Å; W832-V1151 PolarHBondContact NE1-O 2.97Å; W832-T1152 HydrophobicContact CZ2-CG2 4.06Å; W832-W1154 HydrophobicContact CB-CH2 4.45Å; W832-W1154 HydrophobicContact CB-CZ2 3.86Å; W832-W1154 AromaticContact CD1-CH2 3.88Å; W832-W1154 AromaticContact CD1-CZ2 3.55Å; W832-W1154 AromaticContact CD2-CH2 3.58Å; W832-W1154 HydrophobicContact CD2-CH2 3.58Å; W832-W1154 AromaticContact CD2-CZ2 3.87Å; W832-W1154 HydrophobicContact CD2-CZ2 3.87Å; W832-W1154 AromaticContact CE2-CH2 3.63Å; W832-W1154 HydrophobicContact CE3-CH2 4.1Å; W832-W1154 AromaticContact CG-CH2 3.75Å; W832-W1154 HydrophobicContact CG-CH2 3.75Å; W832-W1154 AromaticContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CG-CZ2 3.49Å; W832-W1154 VanDerWaalsContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CZ2-CH2 4.17Å; W832-W1154 AromaticContact NE1-CH2 3.81Å; W832-W1154 AromaticContact NE1-CZ2 3.94Å
833I46.9Very low43.6Very low75 Ų7564.1 Ų64.139%0.38533%0.325SS..EExtended strand (participates in β ladder)trans-89.2124.9168.6-60.2-169.9000108.4V825 Q826 V828 R831V825-I833 CarbonylContact C-O 3.54Å; V825-I833 WeakPolarHBondContact CA-O 3.4Å; Q826-I833 PolarHBondContact N-O 3.34Å; Q826-I833 PolarHBondContact O-N 2.7Å; V828-I833 HydrophobicContact CB-CD1 3.63Å; V828-I833 HydrophobicContact CB-CG1 4.01Å; V828-I833 HydrophobicContact CG1-CD1 4.07Å; V828-I833 HydrophobicContact CG2-CB 4.46Å; V828-I833 HydrophobicContact CG2-CD1 3.75Å; V828-I833 HydrophobicContact CG2-CG1 4.12Å; R831-I833 PolarHBondContact O-N 2.84Å
834A45.3Very low42.6Very low49 Ų4967.3 Ų67.341%0.40535%0.348SS..EExtended strand (participates in β ladder)trans-78134.318000000111.9
835L41.9Very low41.7Very low13 Ų1376.6 Ų76.67%0.06838%0.383CS..EExtended strand (participates in β ladder)trans-121.998.2170.7-64.2171.7000108.1S824 Q826S824-L835 PolarHBondContact N-O 2.99Å; S824-L835 VanDerWaalsContact N-O 3.15Å; S824-L835 CarbonylContact O-C 3.56Å; S824-L835 WeakPolarHBondContact O-CA 3.37Å; S824-L835 WeakPolarHBondContact O-CB 3.47Å; S824-L835 PolarHBondContact O-N 3.48Å; Q826-L835 HydrophobicContact CB-CD1 4.19Å
836L37.6Very low40.5Very low57 Ų5784.8 Ų84.830%0.29842%0.42SS..SBendtrans92.4164.5174.1-49.1166.4000117.6M823M823-L836 WeakPolarHBondContact CE-O 3.04Å
837R36.7Very low39.4Very low121 Ų12190.9 Ų90.946%0.45745%0.453SS..  trans-75.1132.1-154.3-58.3169.9175.7150-3117.7M823 V973M823-R837 WeakPolarHBondContact CE-O 3.41Å; R837-V973 HydrophobicContact CG-CB 4.33Å
838P34.6Very low38Very low65 Ų6598.7 Ų98.742%0.42249%0.49SS..  trans-54.8153.1-177.824.3-35.4000115.4F840P838-F840 HydrophobicContact CG-CE2 4.34Å; P838-F840 PolarHBondContact O-N 3.04Å
839C37.6Very low36.6Very low32 Ų32102.1 Ų102.122%0.21651%0.513CS..  trans-73.976.5-171.7-670000114.4R759 C807R759-C839 WeakPolarHBondContact O-CB 3.44Å; C807-C839 WeakPolarHBondContact CA-SG 2.98Å; C807-C839 HydrophobicContact CB-CB 3.69Å; C807-C839 WeakPolarHBondContact CB-SG 3.13Å; C807-C839 WeakPolarHBondContact SG-CA 3.13Å; C807-C839 WeakPolarHBondContact SG-CB 3.42Å; C807-C839 CovalentContact SG-SG 2.04Å; C807-C839 PolarHBondContact SG-SG 2.85Å
840F33.2Very low35.3Very low166 Ų166104 Ų10473%0.72853%0.528SS*.  trans-62.3140.3170-87.8-93.4000112.8P838P838-F840 HydrophobicContact CG-CE2 4.34Å; P838-F840 PolarHBondContact O-N 3.04Å
841S32.5Very low34.1Very low51 Ų51110.1 Ų110.136%0.35755%0.552SS.*  trans-77.2153.2162.3115.50000109.7E843 S844S841-E843 PolarHBondContact O-N 3.49Å; S841-E843 WeakPolarHBondContact OG-CB 3.44Å; S841-E843 PolarHBondContact OG-N 2.96Å; S841-E843 PolarHBondContact OG-OE2 2.9Å; S841-S844 PolarHBondContact O-OG 2.86Å
842M29.7Very low33Very low128 Ų128112.7 Ų112.763%0.63156%0.561SS**G310 helixtrans-80.82.3176-69.4-125.9-77.300113.4
843E30Very low31.6Very low133 Ų133121.2 Ų121.262%0.62159%0.593SS**G310 helixtrans-80.8-18178.2-64.8144.5151.400111.9S841 R845S841-E843 PolarHBondContact O-N 3.49Å; S841-E843 WeakPolarHBondContact OG-CB 3.44Å; S841-E843 PolarHBondContact OG-N 2.96Å; S841-E843 PolarHBondContact OG-OE2 2.9Å; E843-R845 PolarHBondContact O-N 3.24Å; E843-R845 VanDerWaalsContact O-N 3.16Å
844S29.2Very low30.5Very low79 Ų79127.2 Ų127.255%0.55262%0.617SS**G310 helixtrans-7915.5174.675.30000114.4S841S841-S844 PolarHBondContact O-OG 2.86Å
845R28.2Very low29.6Very low199 Ų199130.3 Ų130.375%0.75164%0.636SS**G310 helixtrans-103.712.2-178.4-84.2-172.6165.7-162.3-7.3114.8E843E843-R845 PolarHBondContact O-N 3.24Å; E843-R845 VanDerWaalsContact O-N 3.16Å
846Q26.6Very low28.7Very low182 Ų182136.8 Ų136.885%0.8567%0.667SS**SBendtrans-104.426.7178.3-71-161.8-30.500114.7
847L26.1Very low28.2Very low173 Ų173141.7 Ų141.791%0.90669%0.689SS**  trans-131.240.2177.6-81.2169.2000113.2
848E25.3Very low27.7Very low165 Ų165140.5 Ų140.577%0.77170%0.699SS**  trans-84.8122.3154.5-76.6-168.8155.100109.2T850E848-T850 PolarHBondContact O-N 2.87Å
849P24.5Very low27.4Very low115 Ų115142.2 Ų142.275%0.74771%0.713SS**  trans-74.992.4170.430.6-32.2000108.8I851P849-I851 VanDerWaalsContact C-N 3.3Å; P849-I851 PolarHBondContact O-N 3.42Å
850T25Very low26.9Very low120 Ų120147 Ų14774%0.73674%0.74SS**  trans-6787.7175.548.80000110.8E848 R852E848-T850 PolarHBondContact O-N 2.87Å; T850-R852 PolarHBondContact O-N 3.43Å
851I24.3Very low26.8Very low157 Ų157144.1 Ų144.181%0.80574%0.741SS**  trans-68.484.7168.6-56.7175.3000108P849P849-I851 VanDerWaalsContact C-N 3.3Å; P849-I851 PolarHBondContact O-N 3.42Å
852R25.2Very low26.8Very low235 Ų235149 Ų14989%0.88776%0.761SS**  trans-125.8127.5160.7-72.2-165.2172.8-152.7-2.3108.9T850T850-R852 PolarHBondContact O-N 3.43Å
853R23.6Very low26.9Very low230 Ų230148.3 Ų148.387%0.86877%0.767SS**  trans-68.4154.8179-68.3171.8176164.5-3.6109.8
854F23.3Very low27Very low202 Ų202146.8 Ų146.889%0.88677%0.771SS**  trans9.2130158.2-62.6-95.1000117.1
855S25.9Very low27.2Very low113 Ų113150.5 Ų150.579%0.7978%0.783SS**  -152.4-17858.460.80000115.3
856M24.1Very low27.3Very low149 Ų149148.3 Ų148.373%0.73479%0.786SS**  trans-58.7167.6154.5-65.6119.299.700110.7
857E26Very low27.4Very low160 Ų160144.1 Ų144.175%0.74878%0.777SS**  cis-159.3-175.730.8-146.1140.3-123.300114.4
858S26.7Very low27.6Very low96 Ų96141.9 Ų141.967%0.67177%0.77SS**  trans-25.9161.3164.659.90000119.9
859S27.4Very low27.8Very low102 Ų102139.2 Ų139.271%0.71377%0.769SS**  cis179.1-162.2-6.453.50000110.2
860V28.6Very low28.3Very low131 Ų131139.9 Ų139.979%0.79478%0.777SS**  trans74.4134.3165.7178.80000116.8
861S30.1Very low28.6Very low106 Ų106141.5 Ų141.574%0.74178%0.78SS**  cis-160.6176.1-20.158.80000111.1
862I34Very low29Very low153 Ų153139.8 Ų139.879%0.78578%0.779SS**  trans-131.7144.2-178.6-59.7166000109.7
863P31.4Very low29.3Very low115 Ų115133.4 Ų133.475%0.74777%0.768SS**  trans-125.6127.8138.411.49.4000110.7
864S30.8Very low29.5Very low100 Ų100130.3 Ų130.370%0.69977%0.767SS**  cis91.6118.936.6760000114.2
865L33.2Very low29.8Very low157 Ų157127 Ų12782%0.82276%0.764SS**  trans-171.1104.6152.9-94.3172.7000106
866L30.6Very low29.7Very low154 Ų154132.9 Ų132.981%0.80677%0.768SS**  67.3140.798-65.6-171.3000115.4
867S28.6Very low29.9Very low93 Ų93137.8 Ų137.865%0.6578%0.778SS**  cis-173.1-179.2-10.6490000112
868V31.8Very low30.1Very low127 Ų127133.9 Ų133.977%0.7777%0.769SS**  trans75115.2167.2-169.40000116
869S28.6Very low30.5Very low108 Ų108140 Ų14076%0.75578%0.777SS**  cis113.3106.97.880.50000115.2
870S35.7Very low31.2Very low129 Ų129144.6 Ų144.690%0.90278%0.779SS**  trans-154.3145.4150.950.30000110.3
871L29.6Very low31.8Very low154 Ų154139.5 Ų139.581%0.80675%0.749SS**  trans-125.7159.4-170.6-103.7160.3000107.9
872P33.9Very low32.8Very low121 Ų121141.5 Ų141.579%0.78675%0.751SS**  -146.6169.771.133-10.7000117.1
873P31.1Very low33.2Very low102 Ų102142.9 Ų142.966%0.66275%0.751SS**  trans-104.3164.2-178.839.9-32.7000113.6
874I27.9Very low33.8Very low165 Ų165139.2 Ų139.285%0.84673%0.727SS**  trans-159.2144.5157.8-119.7156.9000114.8
875V28.8Very low34.2Very low133 Ų133140 Ų14081%0.80672%0.724SS**  trans64.2114.4164.7173.40000120.2
876R25.2Very low34.6Very low235 Ų235136 Ų13689%0.88770%0.702SS**  trans-81.8172.2162.2-68.3173.7169.1171.3-5.1111.5
877R26.9Very low34.7Very low252 Ų252139 Ų13995%0.95170%0.703SS**  trans87.6100.7174.4-57.3176.9169.2175.9-3116
878S30.2Very low34.9Very low79 Ų79136.9 Ų136.955%0.55269%0.691SS**  trans-161.8124157.6178.90000109.9R880S878-R880 VanDerWaalsContact C-N 3.29Å; S878-R880 PolarHBondContact O-N 3.41Å
879R36.7Very low34.8Very low224 Ų224136.9 Ų136.985%0.84569%0.694SS**  trans-76.971-178-63.5178.8-178.3167.1-1.1111
880R40.5Very low35.3Very low198 Ų198137.3 Ų137.375%0.74768%0.679SS**PPolyproline II helixtrans-88.2126.2-175.7-85.9179.1-91.2-163.6-5112.7S878S878-R880 VanDerWaalsContact C-N 3.29Å; S878-R880 PolarHBondContact O-N 3.41Å
881C43.1Very low35.2Very low24 Ų24138.1 Ų138.116%0.16267%0.668CS.*PPolyproline II helixtrans-66.7131.2161.9-57.20000109.7C923 W928C881-C923 HydrophobicContact CB-CB 3.8Å; C881-C923 WeakPolarHBondContact CB-SG 3.07Å; C881-C923 VanDerWaalsContact SG-CA 3.58Å; C881-C923 WeakPolarHBondContact SG-CB 3.47Å; C881-C923 CovalentContact SG-SG 2.03Å; C881-C923 PolarHBondContact SG-SG 3.44Å; C881-W928 HydrophobicContact CB-CD2 4.11Å; C881-W928 HydrophobicContact CB-CH2 3.98Å; C881-W928 HydrophobicContact CB-CZ2 3.52Å; C881-W928 HydrophobicContact CB-CZ3 4.45Å
882L49.1Very low35.5Very low148 Ų148132.4 Ų132.478%0.77564%0.64SS**PPolyproline II helixtrans-90.2171.4173.1-70.5167.1000110.7W928L882-W928 WeakPolarHBondContact O-CZ2 3.04Å; L882-W928 PolarHBondContact O-NE1 3.32Å
883K43Very low35.6Very low182 Ų182129.4 Ų129.479%0.79162%0.619SS**PPolyproline II helixtrans-48.2129-176.2-162.9-178.8-174.7-173.30111.3
884P43.7Very low35.8Very low38 Ų38126.2 Ų126.225%0.24760%0.602CS.*PPolyproline II helixtrans-67.9142.5-177.227.2-34.7000112.3I886P884-I886 HydrophobicContact CG-CD1 4.41Å
885D39.8Very low36.1Very low118 Ų118122.6 Ų122.663%0.63158%0.578SS**  trans-82.9114.6172.3-174.621.3000109.2R887D885-R887 IonicContact OD1-NE 2.7Å; D885-R887 IonicContact OD2-CZ 2.75Å; D885-R887 VanDerWaalsContact OD2-CZ 3.29Å; D885-R887 IonicContact OD2-NE 3.11Å; D885-R887 PolarHBondContact OD2-NE 3.17Å; D885-R887 IonicContact OD2-NH2 2.73Å; D885-R887 PolarHBondContact OD2-NH2 3.42Å
886I40.9Very low36.5Very low71 Ų71121.1 Ų121.136%0.36456%0.561SS.*  trans-114.999.5-174.1-61.1165.8000108.8P884 V892P884-I886 HydrophobicContact CG-CD1 4.41Å; I886-V892 HydrophobicContact CD1-CG1 4.24Å; I886-V892 HydrophobicContact CG2-CB 4.45Å; I886-V892 HydrophobicContact CG2-CG2 4.38Å
887R32.9Very low37Very low218 Ų218114.4 Ų114.482%0.82355%0.55SS*.  trans-100.974.2-178.8-59.6-175-165.9-176.95.4111.9D885D885-R887 IonicContact OD1-NE 2.7Å; D885-R887 IonicContact OD2-CZ 2.75Å; D885-R887 VanDerWaalsContact OD2-CZ 3.29Å; D885-R887 IonicContact OD2-NE 3.11Å; D885-R887 PolarHBondContact OD2-NE 3.17Å; D885-R887 IonicContact OD2-NH2 2.73Å; D885-R887 PolarHBondContact OD2-NH2 3.42Å
888A33.5Very low37.4Very low49 Ų49111 Ų11141%0.40554%0.544SS..SBendtrans-152.3147.9175.200000112.1W890A888-W890 VanDerWaalsContact CB-CD1 3.49Å; A888-W890 PolarHBondContact O-N 3.46Å
889P30.3Very low37.5Very low127 Ų127112 Ų11283%0.82555%0.551SS**SBendtrans-78.321.1-171.534-38.8000114.9
890W38.1Very low37.2Very low116 Ų116111.8 Ų111.844%0.43956%0.557SS.*SBendtrans-107.7147.5-174.6-37.190.8000110.8A888 V892A888-W890 VanDerWaalsContact CB-CD1 3.49Å; A888-W890 PolarHBondContact O-N 3.46Å; W890-V892 HydrophobicContact CB-CG2 4.48Å; W890-V892 PolarHBondContact O-N 3.17Å
891Q33.4Very low36.8Very low146 Ų146106.4 Ų106.468%0.68255%0.554SS**  trans-68.790.8170.3-76.4-175-19.600110.9S913Q891-S913 WeakPolarHBondContact O-CB 3.39Å; Q891-S913 PolarHBondContact O-N 3.43Å; Q891-S913 PolarHBondContact OE1-OG 2.92Å
892V35.6Very low36.2Very low35 Ų35112.7 Ų112.721%0.21259%0.586CS.*EExtended strand (participates in β ladder)trans-95.5103.9171.7-178.90000108.6I886 W890 A894 V910I886-V892 HydrophobicContact CD1-CG1 4.24Å; I886-V892 HydrophobicContact CG2-CB 4.45Å; I886-V892 HydrophobicContact CG2-CG2 4.38Å; W890-V892 HydrophobicContact CB-CG2 4.48Å; W890-V892 PolarHBondContact O-N 3.17Å; V892-A894 PolarHBondContact O-N 2.73Å; V892-V910 HydrophobicContact CG1-CG1 3.56Å
893V36.2Very low35.4Very low57 Ų57115.1 Ų115.135%0.34559%0.591SS.*EExtended strand (participates in β ladder)trans-92.4104.4179.2-169.30000108.9Y895 R911V893-Y895 HydrophobicContact CB-CD2 4.46Å; V893-Y895 HydrophobicContact CB-CE2 3.75Å; V893-Y895 HydrophobicContact CG1-CD2 4.1Å; V893-Y895 HydrophobicContact CG1-CE1 4.04Å; V893-Y895 HydrophobicContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CZ 3.43Å; V893-Y895 VanDerWaalsContact O-CD2 3.31Å; V893-Y895 WeakPolarHBondContact O-CD2 3.41Å; V893-R911 PolarHBondContact N-O 2.83Å; V893-R911 PolarHBondContact O-N 3.45Å
894A35.1Very low34.9Very low36 Ų36110.5 Ų110.530%0.29860%0.595SS.*EExtended strand (participates in β ladder)trans-84.6114.8176.300000110.4V892 F896V892-A894 PolarHBondContact O-N 2.73Å; A894-F896 HydrophobicContact CB-CE2 3.79Å; A894-F896 HydrophobicContact CB-CZ 4.22Å
895Y35.3Very low34.4Very low88 Ų88114 Ų11435%0.34562%0.615SS.*EExtended strand (participates in β ladder)trans-97.4128.7180-66.4-89.6000110.9V893 Q909 R911V893-Y895 HydrophobicContact CB-CD2 4.46Å; V893-Y895 HydrophobicContact CB-CE2 3.75Å; V893-Y895 HydrophobicContact CG1-CD2 4.1Å; V893-Y895 HydrophobicContact CG1-CE1 4.04Å; V893-Y895 HydrophobicContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CE2 3.46Å; V893-Y895 VanDerWaalsContact CG1-CZ 3.43Å; V893-Y895 VanDerWaalsContact O-CD2 3.31Å; V893-Y895 WeakPolarHBondContact O-CD2 3.41Å; Y895-Q909 PolarHBondContact N-O 3.26Å; Y895-Q909 VanDerWaalsContact N-O 3.09Å; Y895-Q909 PolarHBondContact O-N 2.86Å; Y895-R911 HydrophobicContact CD2-CB 4.18Å; Y895-R911 HydrophobicContact CE2-CB 4.02Å; Y895-R911 VanDerWaalsContact CZ-NH1 3.27Å; Y895-R911 PolarHBondContact OH-NH1 3.33Å
896F38.1Very low34.3Very low103 Ų103114 Ų11445%0.45262%0.619SS.*  trans-119.390.1179.3-62.4-86.9000110.3A894 P908A894-F896 HydrophobicContact CB-CE2 3.79Å; A894-F896 HydrophobicContact CB-CZ 4.22Å; F896-P908 HydrophobicContact CE1-CB 4.15Å
897S35.4Very low34.3Very low94 Ų94117 Ų11766%0.65763%0.63SS**  trans-86.4111.617855.10000111.9S899S897-S899 PolarHBondContact O-N 3.23Å
898H34.2Very low34.8Very low179 Ų179107.2 Ų107.283%0.82959%0.594SS**  trans-84.491.6169.3-83.7-106.6000110.8
899S33.1Very low35.5Very low100 Ų100107.3 Ų107.370%0.69959%0.586SS**  trans-83.3127.4168.549.40000111.2S897 A901S897-S899 PolarHBondContact O-N 3.23Å; S899-A901 VanDerWaalsContact C-N 3.34Å; S899-A901 PolarHBondContact O-N 3.39Å
900K30.6Very low36.4Very low221 Ų221101.9 Ų101.996%0.96155%0.55SS**  trans-78.977.3172.2-72.4-175.6175.4178.90110.7
901A31.1Very low36.7Very low84 Ų8499.4 Ų99.469%0.69454%0.541SS*.  trans-153.9150.516700000112.3S899S899-A901 VanDerWaalsContact C-N 3.34Å; S899-A901 PolarHBondContact O-N 3.39Å
902N31.1Very low37.4Very low157 Ų15792.7 Ų92.784%0.8451%0.51SS*.SBendtrans-26.8142.6-178-72-34.7000119.5
903K33.1Very low37.7Very low199 Ų19994 Ų9487%0.86552%0.521SS*.SBendtrans68.459.6158.5-62.1179.9-179.4-179.80118.3V905K903-V905 PolarHBondContact O-N 3.01Å; K903-V905 VanDerWaalsContact O-N 3.08Å
904G30.9Very low38.1Very low85 Ų8596.2 Ų96.288%0.87654%0.535SS*.  74.49119.200000121.3
905V33.2Very low38.6Very low112 Ų11296.8 Ų96.868%0.67953%0.533SS*.  trans-12495.2178.4-171.80000112.3K903 K907K903-V905 PolarHBondContact O-N 3.01Å; K903-V905 VanDerWaalsContact O-N 3.08Å; V905-K907 HydrophobicContact CG1-CG 4.07Å; V905-K907 PolarHBondContact O-N 2.04Å
906V37.9Very low39.2Very low116 Ų11698.3 Ų98.370%0.70355%0.547SS*.  trans-81113.9170.6-178.10000109.4
907K41.6Very low39.6Very low136 Ų13697.7 Ų97.759%0.59155%0.547SS*.  trans-103.2111.5173.7-59.2177.7-174.9172.90109.1V905 W920V905-K907 HydrophobicContact CG1-CG 4.07Å; V905-K907 PolarHBondContact O-N 2.04Å; K907-W920 HydrophobicContact CB-CE3 4.3Å; K907-W920 HydrophobicContact CD-CE3 4.44Å
908P43.7Very low40.2Very low11 Ų1195.9 Ų95.97%0.07153%0.533CS..PPolyproline II helixtrans-67.3138.3173.1-13.928.1000110.4F896 T921 W928F896-P908 HydrophobicContact CE1-CB 4.15Å; P908-T921 HydrophobicContact CB-CG2 4.19Å; P908-T921 HydrophobicContact CG-CG2 4.15Å; P908-W928 HydrophobicContact CG-CH2 3.57Å; P908-W928 HydrophobicContact CG-CZ3 3.56Å
909Q48Very low40.8Very low52 Ų5288.7 Ų88.724%0.24350%0.502CS..EExtended strand (participates in β ladder)trans-99.7119.2170.6-70.9-173.6-18.400109.8Y895 W920Y895-Q909 PolarHBondContact N-O 3.26Å; Y895-Q909 VanDerWaalsContact N-O 3.09Å; Y895-Q909 PolarHBondContact O-N 2.86Å; Q909-W920 HydrophobicContact CG-CE3 4.12Å; Q909-W920 HydrophobicContact CG-CH2 4.37Å; Q909-W920 HydrophobicContact CG-CZ3 3.78Å
910V48.8Very low41.6Very low12 Ų1290.6 Ų90.67%0.07349%0.494CS..EExtended strand (participates in β ladder)trans-94118.6169.1-176.80000107.6V892 T918 S919 T921 L931V892-V910 HydrophobicContact CG1-CG1 3.56Å; V910-T918 CarbonylContact O-C 3.54Å; V910-T918 WeakPolarHBondContact O-CA 3.04Å; V910-S919 PolarHBondContact N-O 3.01Å; V910-S919 VanDerWaalsContact N-O 3.07Å; V910-S919 PolarHBondContact O-N 2.96Å; V910-T921 HydrophobicContact CG2-CG2 4.44Å; V910-L931 HydrophobicContact CG1-CD2 4.12Å
911R44.7Very low42.6Very low65 Ų6580.6 Ų80.625%0.24545%0.452CS..EExtended strand (participates in β ladder)trans-115.2122178-167.9-176.8-62.8161.22.9110.4V893 Y895 N916 L917 T918V893-R911 PolarHBondContact N-O 2.83Å; V893-R911 PolarHBondContact O-N 3.45Å; Y895-R911 HydrophobicContact CD2-CB 4.18Å; Y895-R911 HydrophobicContact CE2-CB 4.02Å; Y895-R911 VanDerWaalsContact CZ-NH1 3.27Å; Y895-R911 PolarHBondContact OH-NH1 3.33Å; R911-N916 WeakPolarHBondContact CD-OD1 3.42Å; R911-L917 WeakPolarHBondContact CA-O 3.39Å; R911-T918 HydrophobicContact CB-CG2 4.31Å; R911-T918 HydrophobicContact CG-CG2 4.15Å
912C48.2Very low43.5Very low4 Ų483.9 Ų83.93%0.02745%0.451CS..EExtended strand (participates in β ladder)trans-71.9125.4168.6-55.50000108.5T914 N915 N916 L917 L935 C936C912-T914 VanDerWaalsContact C-N 3.27Å; C912-T914 PolarHBondContact O-N 2.04Å; C912-N915 WeakPolarHBondContact CB-OD1 3.31Å; C912-N916 PolarHBondContact O-N 3.24Å; C912-L917 PolarHBondContact N-O 3.38Å; C912-L935 PolarHBondContact SG-O 2.93Å; C912-C936 HydrophobicContact CB-CB 4.11Å; C912-C936 WeakPolarHBondContact CB-SG 3.43Å; C912-C936 VanDerWaalsContact SG-CA 3.56Å; C912-C936 WeakPolarHBondContact SG-CB 3.39Å; C912-C936 CovalentContact SG-SG 2.05Å; C912-C936 PolarHBondContact SG-SG 3.01Å
913S42.6Very low44.6Very low63 Ų6379.2 Ų79.244%0.44143%0.43SS..THydrogen-bonded Turntrans-58.4-35.1-176.9178.60000113.7Q891Q891-S913 WeakPolarHBondContact O-CB 3.39Å; Q891-S913 PolarHBondContact O-N 3.43Å; Q891-S913 PolarHBondContact OE1-OG 2.92Å
914T44.4Very low45.6Very low104 Ų10474.5 Ų74.564%0.63842%0.417SS*.THydrogen-bonded Turntrans-76.8-32.7-16947.50000115.4C912C912-T914 VanDerWaalsContact C-N 3.27Å; C912-T914 PolarHBondContact O-N 2.04Å
915N45.8Very low46.7Very low48 Ų4873.9 Ų73.926%0.25741%0.41SS..THydrogen-bonded Turntrans-130.82.3-167.861.34000113.8C912 L917 A939C912-N915 WeakPolarHBondContact CB-OD1 3.31Å; N915-L917 HydrophobicContact CB-CG 4.44Å; N915-L917 WeakPolarHBondContact ND2-CD1 3.44Å; N915-L917 PolarHBondContact O-N 2.9Å; N915-L917 PolarHBondContact OD1-N 3.36Å; N915-A939 WeakPolarHBondContact ND2-CB 3.32Å
916N46.7Very low47.8Very low119 Ų11970.4 Ų70.464%0.63640%0.397SS*.  trans61.58.4177.2-145.832000114.7R911 C912R911-N916 WeakPolarHBondContact CD-OD1 3.42Å; C912-N916 PolarHBondContact O-N 3.24Å
917L47.2Very low48.3Very low90 Ų9075 Ų7547%0.47140%0.402SS..  trans-66136.3175-67.4-177.2000110R911 C912 N915 L935R911-L917 WeakPolarHBondContact CA-O 3.39Å; C912-L917 PolarHBondContact N-O 3.38Å; N915-L917 HydrophobicContact CB-CG 4.44Å; N915-L917 WeakPolarHBondContact ND2-CD1 3.44Å; N915-L917 PolarHBondContact O-N 2.9Å; N915-L917 PolarHBondContact OD1-N 3.36Å; L917-L935 HydrophobicContact CB-CD2 3.81Å; L917-L935 HydrophobicContact CD1-CD2 4.36Å
918T47.2Very low49.1Very low57 Ų5772.2 Ų72.235%0.3539%0.388SS..EExtended strand (participates in β ladder)trans-114.7119.4178.848.50000110.9V910 R911V910-T918 CarbonylContact O-C 3.54Å; V910-T918 WeakPolarHBondContact O-CA 3.04Å; R911-T918 HydrophobicContact CB-CG2 4.31Å; R911-T918 HydrophobicContact CG-CG2 4.15Å
919S46.5Very low50Low27 Ų2774.1 Ų74.119%0.18940%0.401CS..EExtended strand (participates in β ladder)trans-100149.5170.6-168.10000111.5V910V910-S919 PolarHBondContact N-O 3.01Å; V910-S919 VanDerWaalsContact N-O 3.07Å; V910-S919 PolarHBondContact O-N 2.96Å
920W50Low50.2Low141 Ų14180.8 Ų80.853%0.53443%0.433SS..EExtended strand (participates in β ladder)trans-113.999.2-176.6-50.291.3000109.6K907 Q909K907-W920 HydrophobicContact CB-CE3 4.3Å; K907-W920 HydrophobicContact CD-CE3 4.44Å; Q909-W920 HydrophobicContact CG-CE3 4.12Å; Q909-W920 HydrophobicContact CG-CH2 4.37Å; Q909-W920 HydrophobicContact CG-CZ3 3.78Å
921T53.1Low50.4Low11 Ų1184 Ų847%0.06745%0.449CS..  trans-77.9139.3169.4-178.30000110.2P908 V910 W928 S929P908-T921 HydrophobicContact CB-CG2 4.19Å; P908-T921 HydrophobicContact CG-CG2 4.15Å; V910-T921 HydrophobicContact CG2-CG2 4.44Å; T921-W928 HydrophobicContact CG2-CE3 3.76Å; T921-W928 HydrophobicContact CG2-CZ3 4.01Å; T921-S929 WeakPolarHBondContact CA-OG 3.03Å; T921-S929 PolarHBondContact OG1-O 2.81Å; T921-S929 VanDerWaalsContact OG1-O 3.06Å; T921-S929 PolarHBondContact OG1-OG 3.36Å
922K49.4Very low50.8Low153 Ų15384.7 Ų84.767%0.66546%0.457SS*.  trans-104.2128.4173.7-70.6178.9-179.4172.30109.4V924 S929K922-V924 HydrophobicContact CB-CG2 3.9Å; K922-V924 PolarHBondContact O-N 2.47Å; K922-S929 PolarHBondContact N-OG 3.03Å; K922-S929 PolarHBondContact O-N 2.84Å
923C53.5Low50.9Low59 Ų5990.6 Ų90.640%0.39948%0.484SS..EExtended strand (participates in β ladder)trans-75.2115.6161.5176.20000108.5C881 R927 W928C881-C923 HydrophobicContact CB-CB 3.8Å; C881-C923 WeakPolarHBondContact CB-SG 3.07Å; C881-C923 VanDerWaalsContact SG-CA 3.58Å; C881-C923 WeakPolarHBondContact SG-CB 3.47Å; C881-C923 CovalentContact SG-SG 2.03Å; C881-C923 PolarHBondContact SG-SG 3.44Å; C923-R927 CarbonylContact C-O 3.53Å; C923-R927 WeakPolarHBondContact CA-O 3.48Å; C923-W928 HydrophobicContact CB-CE3 4.05Å; C923-W928 HydrophobicContact CB-CH2 4.26Å; C923-W928 HydrophobicContact CB-CZ3 3.74Å
924V55.2Low51.3Low100 Ų10091.6 Ų91.661%0.60649%0.485SS*.EExtended strand (participates in β ladder)trans-131125.7177.9-1740000108.9K922 G926 R927K922-V924 HydrophobicContact CB-CG2 3.9Å; K922-V924 PolarHBondContact O-N 2.47Å; V924-G926 PolarHBondContact O-N 2.82Å; V924-R927 PolarHBondContact N-O 3.01Å; V924-R927 PolarHBondContact O-N 3.14Å
925G54Low51.6Low71 Ų7188.6 Ų88.673%0.73247%0.465SS*.THydrogen-bonded Turntrans65.2-2.4179.300000116.4
926G55.6Low51.8Low39 Ų3987.8 Ų87.840%0.40246%0.463SS..THydrogen-bonded Turntrans106.5-0.8-170.700000114.3V924V924-G926 PolarHBondContact O-N 2.82Å
927R49.3Very low51.7Low214 Ų21487.2 Ų87.281%0.80845%0.454SS*.EExtended strand (participates in β ladder)trans-103.8151167.5-69.8-176.3176.9177.9-1110.7C923 V924C923-R927 CarbonylContact C-O 3.53Å; C923-R927 WeakPolarHBondContact CA-O 3.48Å; V924-R927 PolarHBondContact N-O 3.01Å; V924-R927 PolarHBondContact O-N 3.14Å
928W58.3Low51.5Low77 Ų7789.4 Ų89.429%0.29247%0.467SS..EExtended strand (participates in β ladder)trans-76.7144.1162.6-66.4113.2000109.6C881 L882 P908 T921 C923C881-W928 HydrophobicContact CB-CD2 4.11Å; C881-W928 HydrophobicContact CB-CH2 3.98Å; C881-W928 HydrophobicContact CB-CZ2 3.52Å; C881-W928 HydrophobicContact CB-CZ3 4.45Å; L882-W928 WeakPolarHBondContact O-CZ2 3.04Å; L882-W928 PolarHBondContact O-NE1 3.32Å; P908-W928 HydrophobicContact CG-CH2 3.57Å; P908-W928 HydrophobicContact CG-CZ3 3.56Å; T921-W928 HydrophobicContact CG2-CE3 3.76Å; T921-W928 HydrophobicContact CG2-CZ3 4.01Å; C923-W928 HydrophobicContact CB-CE3 4.05Å; C923-W928 HydrophobicContact CB-CH2 4.26Å; C923-W928 HydrophobicContact CB-CZ3 3.74Å
929S62.4Low51Low51 Ų5188.4 Ų88.436%0.35746%0.464SS..PPolyproline II helixtrans-66.4143161.465.30000109.4T921 K922T921-S929 WeakPolarHBondContact CA-OG 3.03Å; T921-S929 PolarHBondContact OG1-O 2.81Å; T921-S929 VanDerWaalsContact OG1-O 3.06Å; T921-S929 PolarHBondContact OG1-OG 3.36Å; K922-S929 PolarHBondContact N-OG 3.03Å; K922-S929 PolarHBondContact O-N 2.84Å
930E52.1Low50.3Low192 Ų19289.9 Ų89.990%0.89748%0.475SS*.PPolyproline II helixtrans-50.5144.6177.1-73.1176.2137.200111.7
931L51.9Low49.6Very low78 Ų7888.4 Ų88.441%0.40849%0.486SS..PPolyproline II helixtrans-75.9129.2164.1-92.371.3000107.5V910 E933V910-L931 HydrophobicContact CG1-CD2 4.12Å; L931-E933 PolarHBondContact O-N 3.3Å
932D54.6Low48.7Very low80 Ų8094.9 Ų94.943%0.42852%0.52SS..  trans-62.5103.5162.2174.423.5000109N934 L935D932-N934 PolarHBondContact O-N 2.84Å; D932-N934 VanDerWaalsContact OD1-CB 3.23Å; D932-N934 WeakPolarHBondContact OD1-CB 3.4Å; D932-N934 PolarHBondContact OD1-N 2.8Å; D932-N934 VanDerWaalsContact OD1-N 3.1Å; D932-N934 PolarHBondContact OD1-ND2 3.38Å; D932-L935 HydrophobicContact CB-CB 4.27Å; D932-L935 HydrophobicContact CB-CD1 4.24Å; D932-L935 WeakPolarHBondContact O-CB 3.16Å; D932-L935 PolarHBondContact O-N 3.42Å
933E48.6Very low48Very low128 Ų12893 Ų9360%0.59851%0.513SS*.THydrogen-bonded Turntrans-61.6-26.9179.8-61.8-162.7127.800112.2L931 L935 K937L931-E933 PolarHBondContact O-N 3.3Å; E933-L935 PolarHBondContact O-N 2.72Å; E933-K937 HydrophobicContact CB-CD 4.02Å; E933-K937 WeakPolarHBondContact O-CB 3.31Å; E933-K937 VanDerWaalsContact O-CG 3.23Å; E933-K937 WeakPolarHBondContact O-CG 3.42Å; E933-K937 PolarHBondContact O-N 3.01Å; E933-K937 VanDerWaalsContact O-N 3.17Å; E933-K937 IonicContact OE1-NZ 3.92Å; E933-K937 IonicContact OE2-NZ 2.6Å; E933-K937 PolarHBondContact OE2-NZ 3.3Å
934N50.8Low47.2Very low85 Ų8595.1 Ų95.146%0.45553%0.527SS..Hα-helixtrans-64.5-24.2-179.4-53.7-69.1000111.9D932 C936 K937 N938D932-N934 PolarHBondContact O-N 2.84Å; D932-N934 VanDerWaalsContact OD1-CB 3.23Å; D932-N934 WeakPolarHBondContact OD1-CB 3.4Å; D932-N934 PolarHBondContact OD1-N 2.8Å; D932-N934 VanDerWaalsContact OD1-N 3.1Å; D932-N934 PolarHBondContact OD1-ND2 3.38Å; N934-C936 VanDerWaalsContact C-N 3.34Å; N934-C936 PolarHBondContact O-N 3.15Å; N934-K937 PolarHBondContact O-N 3.03Å; N934-N938 WeakPolarHBondContact O-CB 2.77Å; N934-N938 PolarHBondContact O-N 2.95Å
935L51.4Low46.3Very low40 Ų4097.9 Ų97.921%0.20954%0.537CS..Hα-helixtrans-69.8-25.9-171.4-147.9147.2000113.6C912 L917 D932 E933C912-L935 PolarHBondContact SG-O 2.93Å; L917-L935 HydrophobicContact CB-CD2 3.81Å; L917-L935 HydrophobicContact CD1-CD2 4.36Å; D932-L935 HydrophobicContact CB-CB 4.27Å; D932-L935 HydrophobicContact CB-CD1 4.24Å; D932-L935 WeakPolarHBondContact O-CB 3.16Å; D932-L935 PolarHBondContact O-N 3.42Å; E933-L935 PolarHBondContact O-N 2.72Å
936C49.2Very low45.9Very low32 Ų32100.1 Ų100.122%0.21653%0.531CS..Hα-helixtrans-106.5-20.7162.6-49.80000113.6C912 N934 A939C912-C936 HydrophobicContact CB-CB 4.11Å; C912-C936 WeakPolarHBondContact CB-SG 3.43Å; C912-C936 VanDerWaalsContact SG-CA 3.56Å; C912-C936 WeakPolarHBondContact SG-CB 3.39Å; C912-C936 CovalentContact SG-SG 2.05Å; C912-C936 PolarHBondContact SG-SG 3.01Å; N934-C936 VanDerWaalsContact C-N 3.34Å; N934-C936 PolarHBondContact O-N 3.15Å; C936-A939 WeakPolarHBondContact O-CB 3.36Å
937K46Very low45.7Very low106 Ų106107.1 Ų107.146%0.46155%0.545SS..Hα-helixtrans-69.7-36.1178.9-74.7172.4176.9178.30113.3E933 N934 A939E933-K937 HydrophobicContact CB-CD 4.02Å; E933-K937 WeakPolarHBondContact O-CB 3.31Å; E933-K937 VanDerWaalsContact O-CG 3.23Å; E933-K937 WeakPolarHBondContact O-CG 3.42Å; E933-K937 PolarHBondContact O-N 3.01Å; E933-K937 VanDerWaalsContact O-N 3.17Å; E933-K937 IonicContact OE1-NZ 3.92Å; E933-K937 IonicContact OE2-NZ 2.6Å; E933-K937 PolarHBondContact OE2-NZ 3.3Å; N934-K937 PolarHBondContact O-N 3.03Å; K937-A939 PolarHBondContact O-N 2.8Å
938N42.4Very low46Very low137 Ų137106.6 Ų106.673%0.73355%0.552SS**THydrogen-bonded Turntrans-81.936.2-176.3-66.6-8.8000113.4N934N934-N938 WeakPolarHBondContact O-CB 2.77Å; N934-N938 PolarHBondContact O-N 2.95Å
939A35.8Very low46.4Very low35 Ų35103.5 Ų103.529%0.28954%0.544SS..THydrogen-bonded Turntrans-129.710.2-162.600000116.1N915 C936 K937N915-A939 WeakPolarHBondContact ND2-CB 3.32Å; C936-A939 WeakPolarHBondContact O-CB 3.36Å; K937-A939 PolarHBondContact O-N 2.8Å
940S33.2Very low46.9Very low59 Ų59102.5 Ų102.541%0.41354%0.535SS..  trans-137.992.4-178.658.40000114.4
941S34.1Very low48.2Very low109 Ų10993.3 Ų93.376%0.76249%0.492SS*.SBendtrans-72.1-16.8151.952.50000112.7
942D34.1Very low49.4Very low147 Ų14794 Ų9479%0.78650%0.495SS*.SBendtrans-104.311.5-166.2-60.51.3000112.7
943Q35.1Very low50.4Low113 Ų11390.2 Ų90.253%0.52848%0.475SS..SBendtrans-77.5133.2164.7-86.7-175.3-12.700109.4L945Q943-L945 PolarHBondContact O-N 3.4Å
944P36.2Very low51.3Low105 Ų10586 Ų8668%0.68246%0.456SS*.  trans-64.8123.9168.128.2-32.2000108.6I946P944-I946 PolarHBondContact O-N 2.84Å
945L38.2Very low51.7Low158 Ų15883.3 Ų83.383%0.82744%0.443SS*.  trans-57.7108.3166.9-76163.6000108.3Q943 R947Q943-L945 PolarHBondContact O-N 3.4Å; L945-R947 WeakPolarHBondContact O-CG 2.83Å; L945-R947 PolarHBondContact O-N 3.07Å
946I45.6Very low52Low118 Ų11887.6 Ų87.661%0.60547%0.466SS*.PPolyproline II helixtrans-58.9118171.9-58170000106.7P944P944-I946 PolarHBondContact O-N 2.84Å
947R50.5Low52.8Low186 Ų18690.6 Ų90.670%0.70248%0.48SS*.PPolyproline II helixtrans-90.1148.6179-50.5-176.5-176.4-162.91109.5L945 G949 D950L945-R947 WeakPolarHBondContact O-CG 2.83Å; L945-R947 PolarHBondContact O-N 3.07Å; R947-G949 PolarHBondContact O-N 2.68Å; R947-D950 WeakPolarHBondContact CB-OD2 3.31Å; R947-D950 PolarHBondContact N-OD2 3.39Å; R947-D950 WeakPolarHBondContact O-CB 3.46Å; R947-D950 PolarHBondContact O-N 2.88Å; R947-D950 VanDerWaalsContact O-N 3.1Å
948E55.1Low53.9Low202 Ų20286.2 Ų86.294%0.94446%0.461SS*.THydrogen-bonded Turntrans-57123.4163-63.5-174.5127.100108.4
949G66.2Low54.6Low13 Ų1382.8 Ų82.813%0.13445%0.445CS..THydrogen-bonded Turntrans108.4-23.1-174.500000115.4R947 C951 G1007R947-G949 PolarHBondContact O-N 2.68Å; G949-C951 PolarHBondContact O-N 3.42Å; G949-G1007 WeakPolarHBondContact O-CA 3.07Å; G949-G1007 PolarHBondContact O-N 3.31Å
950D74.8Confident55.9Low29 Ų2982.9 Ų82.916%0.15544%0.439CS..PPolyproline II helixtrans-67.1130.6-178.4-68.6-12.9000112.1R947 L978 P979 G1007R947-D950 WeakPolarHBondContact CB-OD2 3.31Å; R947-D950 PolarHBondContact N-OD2 3.39Å; R947-D950 WeakPolarHBondContact O-CB 3.46Å; R947-D950 PolarHBondContact O-N 2.88Å; R947-D950 VanDerWaalsContact O-N 3.1Å; D950-L978 CarbonylContact C-O 3.51Å; D950-L978 WeakPolarHBondContact CA-O 3.21Å; D950-P979 WeakPolarHBondContact OD1-CA 3.37Å; D950-G1007 WeakPolarHBondContact O-CA 3.33Å
951C79Confident57.6Low0 Ų080.7 Ų80.70%042%0.423CS..EExtended strand (participates in β ladder)trans-94.7138.2180-52.30000111.7G949 F953 L978 C1004 S1008 W1009G949-C951 PolarHBondContact O-N 3.42Å; C951-F953 PolarHBondContact O-N 3.42Å; C951-L978 PolarHBondContact N-O 2.04Å; C951-L978 PolarHBondContact O-N 3.17Å; C951-C1004 HydrophobicContact CB-CB 3.81Å; C951-C1004 WeakPolarHBondContact CB-SG 3.47Å; C951-C1004 PolarHBondContact N-SG 3.48Å; C951-C1004 WeakPolarHBondContact SG-CA 3.5Å; C951-C1004 WeakPolarHBondContact SG-CB 3.39Å; C951-C1004 CovalentContact SG-SG 2.02Å; C951-C1004 PolarHBondContact SG-SG 3.06Å; C951-S1008 PolarHBondContact SG-N 2.03Å; C951-S1008 VanDerWaalsContact SG-N 3.38Å; C951-S1008 PolarHBondContact SG-O 2.85Å; C951-S1008 VanDerWaalsContact SG-O 3.4Å; C951-W1009 HydrophobicContact CB-CD2 4.37Å; C951-W1009 HydrophobicContact CB-CH2 4.06Å; C951-W1009 HydrophobicContact CB-CZ2 3.59Å
952I77.5Confident59.1Low91 Ų9177 Ų7747%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-81.2118.3169.4-60.4172.4000108.2T975 W1009I952-T975 HydrophobicContact CG2-CG2 3.94Å; I952-W1009 PolarHBondContact O-NE1 3.16Å
953F74.5Confident60.9Low2 Ų270.2 Ų70.21%0.00936%0.359CS..EExtended strand (participates in β ladder)trans-82.5126.7161.8171.1-100.3000109.2C951 P955 F958 V963 F972 F974 T975 Q976 L978 L984 W1009C951-F953 PolarHBondContact O-N 3.42Å; F953-P955 HydrophobicContact CE1-CG 3.91Å; F953-P955 HydrophobicContact CZ-CG 4.45Å; F953-F958 HydrophobicContact CD2-CD2 4.01Å; F953-F958 AromaticContact CD2-CE2 3.9Å; F953-F958 HydrophobicContact CD2-CE2 3.9Å; F953-F958 AromaticContact CE2-CD2 3.51Å; F953-F958 HydrophobicContact CE2-CD2 3.51Å; F953-F958 AromaticContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CG 4.41Å; F953-F958 HydrophobicContact CZ-CD2 4.49Å; F953-V963 HydrophobicContact CD2-CG1 4.34Å; F953-V963 HydrophobicContact CE2-CB 3.91Å; F953-V963 HydrophobicContact CE2-CG1 3.7Å; F953-V963 HydrophobicContact CE2-CG2 3.94Å; F953-V963 HydrophobicContact CZ-CB 4.1Å; F953-V963 HydrophobicContact CZ-CG1 4.29Å; F953-V963 HydrophobicContact CZ-CG2 4.24Å; F953-F972 HydrophobicContact CD1-CB 3.73Å; F953-F972 HydrophobicContact CE1-CB 3.45Å; F953-F972 VanDerWaalsContact CE1-CB 3.45Å; F953-F972 HydrophobicContact CE2-CB 4.36Å; F953-F972 HydrophobicContact CG-CB 4.29Å; F953-F972 HydrophobicContact CZ-CB 3.8Å; F953-F972 WeakPolarHBondContact CZ-O 3.26Å; F953-F974 VanDerWaalsContact CD1-O 3.29Å; F953-F974 WeakPolarHBondContact CD1-O 3.43Å; F953-F974 WeakPolarHBondContact CE1-O 3.26Å; F953-T975 VanDerWaalsContact O-CA 3.27Å; F953-T975 WeakPolarHBondContact O-CA 3.44Å; F953-T975 WeakPolarHBondContact O-CG2 3.36Å; F953-Q976 HydrophobicContact CB-CG 4.34Å; F953-Q976 HydrophobicContact CD1-CG 4.28Å; F953-Q976 PolarHBondContact N-O 3.21Å; F953-Q976 PolarHBondContact O-N 2.79Å; F953-L978 HydrophobicContact CB-CD1 3.81Å; F953-L978 HydrophobicContact CB-CG 4.42Å; F953-L984 HydrophobicContact CD2-CD1 4.17Å; F953-W1009 HydrophobicContact CB-CZ2 4.06Å
954N68.1Low62.6Low39 Ų3965.5 Ų65.521%0.20934%0.339CS..  trans-124.4121.6177.2174.916.3000109.5L956 D957N954-L956 PolarHBondContact O-N 2.83Å; N954-L956 PolarHBondContact OD1-N 3.49Å; N954-L956 VanDerWaalsContact OD1-N 3.16Å; N954-D957 PolarHBondContact ND2-OD1 3.39Å; N954-D957 PolarHBondContact O-N 3.39Å
955P57.7Low64.2Low28 Ų2861.1 Ų61.118%0.18231%0.311CS..THydrogen-bonded Turntrans-59.2-17.6177.7-2533.6000115.2F953 T975F953-P955 HydrophobicContact CE1-CG 3.91Å; F953-P955 HydrophobicContact CZ-CG 4.45Å; P955-T975 WeakPolarHBondContact CD-OG1 3.48Å
956L59.4Low65.8Low130 Ų13056.3 Ų56.368%0.68129%0.288SS*.THydrogen-bonded Turntrans-78.8-20.2176.1-58.8173.7000113.1N954 F958 V959N954-L956 PolarHBondContact O-N 2.83Å; N954-L956 PolarHBondContact OD1-N 3.49Å; N954-L956 VanDerWaalsContact OD1-N 3.16Å; L956-F958 PolarHBondContact O-N 3.06Å; L956-V959 WeakPolarHBondContact O-CG2 3.34Å
957D65.7Low66.6Low95 Ų9558 Ų5851%0.50829%0.293SS..THydrogen-bonded Turntrans-78.5-13.5178.5-61-8.4000112N954N954-D957 PolarHBondContact ND2-OD1 3.39Å; N954-D957 PolarHBondContact O-N 3.39Å
958F68.3Low66.5Low14 Ų1452.5 Ų52.56%0.06128%0.283CS..THydrogen-bonded Turntrans-129.752-173.2-59.7-78.7000111.3F953 L956 M961 V963 L986 V1002 W1009 P1016F953-F958 HydrophobicContact CD2-CD2 4.01Å; F953-F958 AromaticContact CD2-CE2 3.9Å; F953-F958 HydrophobicContact CD2-CE2 3.9Å; F953-F958 AromaticContact CE2-CD2 3.51Å; F953-F958 HydrophobicContact CE2-CD2 3.51Å; F953-F958 AromaticContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CE2 3.87Å; F953-F958 HydrophobicContact CE2-CG 4.41Å; F953-F958 HydrophobicContact CZ-CD2 4.49Å; L956-F958 PolarHBondContact O-N 3.06Å; F958-M961 HydrophobicContact CB-CB 4.19Å; F958-M961 HydrophobicContact CB-SD 4.17Å; F958-M961 HydrophobicContact CD1-CE 3.79Å; F958-M961 HydrophobicContact CD1-SD 4.24Å; F958-M961 WeakPolarHBondContact O-CB 3.01Å; F958-M961 PolarHBondContact O-N 2.85Å; F958-V963 HydrophobicContact CB-CG2 3.68Å; F958-V963 HydrophobicContact CD1-CG2 4.35Å; F958-V963 HydrophobicContact CD2-CG2 4.31Å; F958-V963 HydrophobicContact CG-CG2 3.87Å; F958-L986 HydrophobicContact CD1-CD1 4.23Å; F958-L986 HydrophobicContact CD1-CD2 3.75Å; F958-L986 HydrophobicContact CE1-CD1 3.85Å; F958-L986 HydrophobicContact CE1-CD2 3.79Å; F958-L986 HydrophobicContact CG-CD2 4.48Å; F958-V1002 HydrophobicContact CE1-CG2 4.49Å; F958-V1002 HydrophobicContact CZ-CG2 4.36Å; F958-W1009 HydrophobicContact CZ-CG 4.46Å; F958-P1016 HydrophobicContact CE1-CG 4.3Å
959V58.1Low66.3Low66 Ų6644.6 Ų44.640%0.426%0.255SS..THydrogen-bonded Turntrans-62.8140.7-179.2-164.10000111.1L956 M961L956-V959 WeakPolarHBondContact O-CG2 3.34Å; V959-M961 PolarHBondContact O-N 2.93Å
960H62.8Low65.5Low36 Ų3649 Ų4917%0.16727%0.272CS..THydrogen-bonded Turntrans57.218.6-172.9-55.4-62.7000115.5C988 E989 C1018 R1089 D1092H960-C988 WeakPolarHBondContact O-CA 3.49Å; H960-E989 WeakPolarHBondContact O-CB 3.5Å; H960-E989 PolarHBondContact O-N 3.11Å; H960-C1018 HydrophobicContact CB-CB 4.3Å; H960-R1089 PolarHBondContact CE1-O 3.47Å; H960-R1089 PolarHBondContact NE2-O 2.9Å; H960-D1092 IonicContact NE2-OD2 3.47Å
961M68.2Low64.4Low14 Ų1448.7 Ų48.77%0.06927%0.27CS..EExtended strand (participates in β ladder)trans-116.5139.1-179.8-61.9155.37600111.4F958 V959 V963 L986 R987 L996 P1016 C1018F958-M961 HydrophobicContact CB-CB 4.19Å; F958-M961 HydrophobicContact CB-SD 4.17Å; F958-M961 HydrophobicContact CD1-CE 3.79Å; F958-M961 HydrophobicContact CD1-SD 4.24Å; F958-M961 WeakPolarHBondContact O-CB 3.01Å; F958-M961 PolarHBondContact O-N 2.85Å; V959-M961 PolarHBondContact O-N 2.93Å; M961-V963 HydrophobicContact CB-CG2 4.49Å; M961-L986 HydrophobicContact CE-CB 3.87Å; M961-L986 HydrophobicContact CE-CD1 3.87Å; M961-L986 HydrophobicContact CE-CD2 4.17Å; M961-L986 HydrophobicContact CE-CG 4.2Å; M961-R987 CarbonylContact C-O 3.51Å; M961-R987 WeakPolarHBondContact CA-O 3.31Å; M961-R987 WeakPolarHBondContact CB-O 3.44Å; M961-L996 HydrophobicContact CE-CD1 3.83Å; M961-P1016 HydrophobicContact CE-CB 3.91Å; M961-P1016 HydrophobicContact CE-CG 4.28Å; M961-C1018 WeakPolarHBondContact CG-SG 3.26Å
962T66Low63.5Low31 Ų3149.4 Ų49.419%0.1927%0.274CS..EExtended strand (participates in β ladder)trans-86.5124.4160.455.30000108.2R987T962-R987 PolarHBondContact N-O 3.14Å; T962-R987 PolarHBondContact O-N 3.39Å; T962-R987 VanDerWaalsContact O-N 3.11Å; T962-R987 PolarHBondContact OG1-O 3Å
963V71.2Confident61.9Low5 Ų546.3 Ų46.33%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-112.2132.8179.9-175.60000108.9F953 F958 M961 Q971 F972 L984 T985 L986F953-V963 HydrophobicContact CD2-CG1 4.34Å; F953-V963 HydrophobicContact CE2-CB 3.91Å; F953-V963 HydrophobicContact CE2-CG1 3.7Å; F953-V963 HydrophobicContact CE2-CG2 3.94Å; F953-V963 HydrophobicContact CZ-CB 4.1Å; F953-V963 HydrophobicContact CZ-CG1 4.29Å; F953-V963 HydrophobicContact CZ-CG2 4.24Å; F958-V963 HydrophobicContact CB-CG2 3.68Å; F958-V963 HydrophobicContact CD1-CG2 4.35Å; F958-V963 HydrophobicContact CD2-CG2 4.31Å; F958-V963 HydrophobicContact CG-CG2 3.87Å; M961-V963 HydrophobicContact CB-CG2 4.49Å; V963-Q971 VanDerWaalsContact O-CA 3.3Å; V963-Q971 WeakPolarHBondContact O-CA 3.44Å; V963-F972 HydrophobicContact CG1-CD2 4.45Å; V963-F972 PolarHBondContact O-N 3.01Å; V963-L984 HydrophobicContact CG1-CB 4.1Å; V963-L984 HydrophobicContact CG1-CD1 3.82Å; V963-L984 HydrophobicContact CG1-CD2 4.42Å; V963-L984 HydrophobicContact CG1-CG 4.35Å; V963-T985 WeakPolarHBondContact CA-O 3.31Å; V963-L986 HydrophobicContact CB-CD2 4.16Å; V963-L986 HydrophobicContact CG1-CD2 3.78Å; V963-L986 HydrophobicContact CG2-CD2 3.63Å
964S71Confident60.4Low14 Ų1451.8 Ų51.810%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-144.4142.3-17858.90000113.4V966 E970 L984 T985S964-V966 PolarHBondContact O-N 2.9Å; S964-E970 CarbonylContact C-O 3.57Å; S964-E970 WeakPolarHBondContact CA-O 3.33Å; S964-E970 WeakPolarHBondContact CB-O 3.38Å; S964-L984 CarbonylContact O-C 3.38Å; S964-T985 PolarHBondContact N-O 2.64Å; S964-T985 PolarHBondContact O-N 3.1Å
965S70.3Confident59.8Low13 Ų1354 Ų549%0.09130%0.298CS..EExtended strand (participates in β ladder)trans-54.4129.3170.6178.10000111.4H967 S968 G969 E970S965-H967 PolarHBondContact O-N 3.49Å; S965-H967 PolarHBondContact OG-N 3.47Å; S965-S968 WeakPolarHBondContact CB-OG 3.06Å; S965-S968 PolarHBondContact OG-N 2.83Å; S965-S968 PolarHBondContact OG-OG 2.98Å; S965-G969 WeakPolarHBondContact O-CA 3.34Å; S965-G969 PolarHBondContact O-N 2.95Å; S965-E970 PolarHBondContact N-O 2.91Å
966V72.8Confident59.9Low56 Ų5654.6 Ų54.634%0.33930%0.298SS..THydrogen-bonded Turntrans-62.8-30.4171.5169.50000111.4S964 E983 T985 Q1001S964-V966 PolarHBondContact O-N 2.9Å; V966-E983 HydrophobicContact CB-CB 4.17Å; V966-E983 HydrophobicContact CB-CG 4.37Å; V966-E983 HydrophobicContact CG2-CB 4.12Å; V966-E983 HydrophobicContact CG2-CG 3.87Å; V966-E983 PolarHBondContact N-O 3.06Å; V966-T985 VanDerWaalsContact CG2-OG1 3.29Å; V966-T985 WeakPolarHBondContact CG2-OG1 3.35Å; V966-Q1001 HydrophobicContact CG2-CG 4.46Å
967H60.6Low60.2Low153 Ų15352.3 Ų52.371%0.70828%0.284SS*.THydrogen-bonded Turntrans-94.9-36.3-170.9-68.275.5000113.5S965 E983S965-H967 PolarHBondContact O-N 3.49Å; S965-H967 PolarHBondContact OG-N 3.47Å; H967-E983 IonicContact CE1-OE2 3.59Å
968S50.1Low60.7Low71 Ų7148.4 Ų48.450%0.49726%0.263SS..THydrogen-bonded Turntrans-105.9-10.7-179.859.10000114.3S965 E970S965-S968 WeakPolarHBondContact CB-OG 3.06Å; S965-S968 PolarHBondContact OG-N 2.83Å; S965-S968 PolarHBondContact OG-OG 2.98Å; S968-E970 PolarHBondContact O-N 3.21Å; S968-E970 VanDerWaalsContact OG-CB 3.26Å; S968-E970 WeakPolarHBondContact OG-CB 3.41Å; S968-E970 PolarHBondContact OG-OE2 2.8Å
969G50.1Low61.1Low36 Ų3651.3 Ų51.337%0.37128%0.283SS..  trans662.3-174.500000114.7S965S965-G969 WeakPolarHBondContact O-CA 3.34Å; S965-G969 PolarHBondContact O-N 2.95Å
970E48.9Very low62.1Low105 Ų10552.6 Ų52.649%0.49129%0.285SS..PPolyproline II helixtrans-69.8134.1-178.1-176.5173.3-163.200110.9S964 S965 S968 F972S964-E970 CarbonylContact C-O 3.57Å; S964-E970 WeakPolarHBondContact CA-O 3.33Å; S964-E970 WeakPolarHBondContact CB-O 3.38Å; S965-E970 PolarHBondContact N-O 2.91Å; S968-E970 PolarHBondContact O-N 3.21Å; S968-E970 VanDerWaalsContact OG-CB 3.26Å; S968-E970 WeakPolarHBondContact OG-CB 3.41Å; S968-E970 PolarHBondContact OG-OE2 2.8Å; E970-F972 HydrophobicContact CG-CE1 4.48Å
971Q52.6Low63Low24 Ų2453 Ų5311%0.11230%0.299CS..BIsolated β-bridgetrans-89.7125.7179.3-76.2-171.6-25.300111.7V963 V973V963-Q971 VanDerWaalsContact O-CA 3.3Å; V963-Q971 WeakPolarHBondContact O-CA 3.44Å; Q971-V973 HydrophobicContact CB-CG1 4.39Å
972F59.1Low63.6Low15 Ų1553.5 Ų53.57%0.06630%0.303CS..PPolyproline II helixtrans-89.1118.8176.9-57.8-61.9000110F953 V963 E970 Q976 L978 L984F953-F972 HydrophobicContact CD1-CB 3.73Å; F953-F972 HydrophobicContact CE1-CB 3.45Å; F953-F972 VanDerWaalsContact CE1-CB 3.45Å; F953-F972 HydrophobicContact CE2-CB 4.36Å; F953-F972 HydrophobicContact CG-CB 4.29Å; F953-F972 HydrophobicContact CZ-CB 3.8Å; F953-F972 WeakPolarHBondContact CZ-O 3.26Å; V963-F972 HydrophobicContact CG1-CD2 4.45Å; V963-F972 PolarHBondContact O-N 3.01Å; E970-F972 HydrophobicContact CG-CE1 4.48Å; F972-Q976 VanDerWaalsContact CD1-OE1 3.31Å; F972-L978 HydrophobicContact CD2-CD1 4.39Å; F972-L978 HydrophobicContact CE1-CD2 4.05Å; F972-L978 HydrophobicContact CE2-CD1 4.23Å; F972-L978 HydrophobicContact CZ-CD1 4.37Å; F972-L978 HydrophobicContact CZ-CD2 4.02Å; F972-L984 HydrophobicContact CD2-CD2 3.55Å; F972-L984 HydrophobicContact CE2-CD2 3.31Å; F972-L984 HydrophobicContact CZ-CD2 4.46Å
973V45.4Very low64.6Low26 Ų2654.3 Ų54.316%0.15831%0.305CS..  trans-130.3-0.2-171.1-58.30000114.4R837 Q971R837-V973 HydrophobicContact CG-CB 4.33Å; Q971-V973 HydrophobicContact CB-CG1 4.39Å
974F43Very low65.2Low116 Ų11654.1 Ų54.151%0.50930%0.303SS..SBendtrans-137.7162.6177.759.4-89.1000109.7F953 Q976F953-F974 VanDerWaalsContact CD1-O 3.29Å; F953-F974 WeakPolarHBondContact CD1-O 3.43Å; F953-F974 WeakPolarHBondContact CE1-O 3.26Å; F974-Q976 HydrophobicContact CD2-CB 4.24Å; F974-Q976 HydrophobicContact CE2-CB 3.92Å; F974-Q976 HydrophobicContact CE2-CG 4.36Å; F974-Q976 VanDerWaalsContact CZ-OE1 3.24Å; F974-Q976 PolarHBondContact O-N 2.89Å
975T54.8Low65.7Low86 Ų8654.9 Ų54.953%0.52831%0.307SS..  trans-70.7126.2-179.3-50.80000110.8I952 F953 P955I952-T975 HydrophobicContact CG2-CG2 3.94Å; F953-T975 VanDerWaalsContact O-CA 3.27Å; F953-T975 WeakPolarHBondContact O-CA 3.44Å; F953-T975 WeakPolarHBondContact O-CG2 3.36Å; P955-T975 WeakPolarHBondContact CD-OG1 3.48Å
976Q59Low66.2Low40 Ų4054.4 Ų54.419%0.18730%0.304CS..EExtended strand (participates in β ladder)trans-151.9152.7-178.659.4177.992.600112.6F953 F972 F974 L978F953-Q976 HydrophobicContact CB-CG 4.34Å; F953-Q976 HydrophobicContact CD1-CG 4.28Å; F953-Q976 PolarHBondContact N-O 3.21Å; F953-Q976 PolarHBondContact O-N 2.79Å; F972-Q976 VanDerWaalsContact CD1-OE1 3.31Å; F974-Q976 HydrophobicContact CD2-CB 4.24Å; F974-Q976 HydrophobicContact CE2-CB 3.92Å; F974-Q976 HydrophobicContact CE2-CG 4.36Å; F974-Q976 VanDerWaalsContact CZ-OE1 3.24Å; F974-Q976 PolarHBondContact O-N 2.89Å; Q976-L978 HydrophobicContact CG-CG 4.39Å; Q976-L978 VanDerWaalsContact NE2-CD2 3.34Å
977H65.5Low66.1Low83 Ų8357 Ų5738%0.38431%0.308SS..EExtended strand (participates in β ladder)trans-77.7135.7168.4-64.1-99.7000109.4
978L76.3Confident66.5Low12 Ų1250.2 Ų50.26%0.06328%0.277CS..EExtended strand (participates in β ladder)trans-123.9133.5175.7-72.2175.5000108.9D950 C951 F953 F972 Q976 T982 L984 W1009D950-L978 CarbonylContact C-O 3.51Å; D950-L978 WeakPolarHBondContact CA-O 3.21Å; C951-L978 PolarHBondContact N-O 2.04Å; C951-L978 PolarHBondContact O-N 3.17Å; F953-L978 HydrophobicContact CB-CD1 3.81Å; F953-L978 HydrophobicContact CB-CG 4.42Å; F972-L978 HydrophobicContact CD2-CD1 4.39Å; F972-L978 HydrophobicContact CE1-CD2 4.05Å; F972-L978 HydrophobicContact CE2-CD1 4.23Å; F972-L978 HydrophobicContact CZ-CD1 4.37Å; F972-L978 HydrophobicContact CZ-CD2 4.02Å; Q976-L978 HydrophobicContact CG-CG 4.39Å; Q976-L978 VanDerWaalsContact NE2-CD2 3.34Å; L978-T982 HydrophobicContact CB-CG2 4.14Å; L978-T982 HydrophobicContact CD1-CG2 4.03Å; L978-T982 HydrophobicContact CD2-CG2 4.29Å; L978-T982 HydrophobicContact CG-CG2 4.39Å; L978-L984 HydrophobicContact CD1-CD1 4.44Å; L978-L984 HydrophobicContact CD1-CD2 4.08Å; L978-W1009 HydrophobicContact CB-CH2 4.19Å; L978-W1009 HydrophobicContact CB-CZ2 4.47Å; L978-W1009 HydrophobicContact CD1-CH2 3.72Å; L978-W1009 HydrophobicContact CD1-CZ2 4Å
979P76.8Confident66.8Low76 Ų7649.5 Ų49.549%0.49427%0.266SS..  trans-65.9154.3-174.626.5-34.2000112.3D950 G981 T982D950-P979 WeakPolarHBondContact OD1-CA 3.37Å; P979-G981 PolarHBondContact O-N 3.4Å; P979-T982 WeakPolarHBondContact CD-OG1 3.17Å; P979-T982 WeakPolarHBondContact CG-OG1 3.49Å; P979-T982 VanDerWaalsContact O-CB 3.3Å; P979-T982 WeakPolarHBondContact O-CB 3.44Å; P979-T982 PolarHBondContact O-N 3.02Å; P979-T982 PolarHBondContact O-OG1 3.19Å
980E79.2Confident67.2Low92 Ų9250 Ų5043%0.4326%0.258SS..THydrogen-bonded Turntrans-52.6138.4173.9-173.4159.1-148.500111.9R1005 N1006E980-R1005 WeakPolarHBondContact OE1-CA 3.2Å; E980-R1005 WeakPolarHBondContact OE1-CG 3.26Å; E980-N1006 PolarHBondContact OE1-N 3.35Å; E980-N1006 PolarHBondContact OE1-OD1 3.31Å
981G81.2Confident67.3Low45 Ų4548.9 Ų48.946%0.46426%0.258SS..THydrogen-bonded Turntrans86.2-3.3-173.200000114.9P979 E983 L1003 C1004P979-G981 PolarHBondContact O-N 3.4Å; G981-E983 PolarHBondContact O-N 2.8Å; G981-L1003 WeakPolarHBondContact O-CD1 3.3Å; G981-C1004 PolarHBondContact N-O 2.8Å
982T82.2Confident67.1Low24 Ų2447.9 Ų47.915%0.14726%0.255CS..  trans-63.6126.8173.8-59.30000111.4L978 P979 L984 C1004L978-T982 HydrophobicContact CB-CG2 4.14Å; L978-T982 HydrophobicContact CD1-CG2 4.03Å; L978-T982 HydrophobicContact CD2-CG2 4.29Å; L978-T982 HydrophobicContact CG-CG2 4.39Å; P979-T982 WeakPolarHBondContact CD-OG1 3.17Å; P979-T982 WeakPolarHBondContact CG-OG1 3.49Å; P979-T982 VanDerWaalsContact O-CB 3.3Å; P979-T982 WeakPolarHBondContact O-CB 3.44Å; P979-T982 PolarHBondContact O-N 3.02Å; P979-T982 PolarHBondContact O-OG1 3.19Å; T982-L984 HydrophobicContact CG2-CD2 4.1Å; T982-C1004 WeakPolarHBondContact O-CB 3.12Å; T982-C1004 PolarHBondContact O-N 2.88Å
983E85.9Confident66.9Low49 Ų4948.9 Ų48.923%0.22926%0.26CS..EExtended strand (participates in β ladder)trans-110130.1-179.9-160.5-161.915400111.9V966 H967 G981 Q1001 L1003V966-E983 HydrophobicContact CB-CB 4.17Å; V966-E983 HydrophobicContact CB-CG 4.37Å; V966-E983 HydrophobicContact CG2-CB 4.12Å; V966-E983 HydrophobicContact CG2-CG 3.87Å; V966-E983 PolarHBondContact N-O 3.06Å; H967-E983 IonicContact CE1-OE2 3.59Å; G981-E983 PolarHBondContact O-N 2.8Å; E983-Q1001 PolarHBondContact OE1-NE2 3.01Å; E983-L1003 HydrophobicContact CB-CD1 4.22Å; E983-L1003 HydrophobicContact CG-CD1 4.45Å
984L83.7Confident67.7Low0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-115.6132.9-175.7-56.2-176.6000111.3F953 V963 S964 F972 L978 T982 Q1001 V1002 W1009F953-L984 HydrophobicContact CD2-CD1 4.17Å; V963-L984 HydrophobicContact CG1-CB 4.1Å; V963-L984 HydrophobicContact CG1-CD1 3.82Å; V963-L984 HydrophobicContact CG1-CD2 4.42Å; V963-L984 HydrophobicContact CG1-CG 4.35Å; S964-L984 CarbonylContact O-C 3.38Å; F972-L984 HydrophobicContact CD2-CD2 3.55Å; F972-L984 HydrophobicContact CE2-CD2 3.31Å; F972-L984 HydrophobicContact CZ-CD2 4.46Å; L978-L984 HydrophobicContact CD1-CD1 4.44Å; L978-L984 HydrophobicContact CD1-CD2 4.08Å; T982-L984 HydrophobicContact CG2-CD2 4.1Å; L984-Q1001 CarbonylContact O-C 3.56Å; L984-Q1001 WeakPolarHBondContact O-CA 3.06Å; L984-V1002 HydrophobicContact CB-CG2 3.91Å; L984-V1002 HydrophobicContact CD1-CG2 4.25Å; L984-V1002 HydrophobicContact CG-CG2 4.44Å; L984-V1002 PolarHBondContact N-O 2.97Å; L984-V1002 PolarHBondContact O-N 3.01Å; L984-W1009 HydrophobicContact CD1-CD2 4.39Å; L984-W1009 HydrophobicContact CD1-CE3 3.93Å; L984-W1009 HydrophobicContact CD1-CH2 3.44Å; L984-W1009 VanDerWaalsContact CD1-CH2 3.44Å; L984-W1009 HydrophobicContact CD1-CZ2 3.92Å; L984-W1009 HydrophobicContact CD1-CZ3 3.43Å; L984-W1009 VanDerWaalsContact CD1-CZ3 3.43Å; L984-W1009 HydrophobicContact CG-CE3 4.43Å; L984-W1009 HydrophobicContact CG-CH2 3.92Å; L984-W1009 HydrophobicContact CG-CZ3 3.67Å
985T82.4Confident68.6Low30 Ų3047 Ų4718%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-87.2139.5164.1-64.70000110.3V963 S964 V966 R987V963-T985 WeakPolarHBondContact CA-O 3.31Å; S964-T985 PolarHBondContact N-O 2.64Å; S964-T985 PolarHBondContact O-N 3.1Å; V966-T985 VanDerWaalsContact CG2-OG1 3.29Å; V966-T985 WeakPolarHBondContact CG2-OG1 3.35Å; T985-R987 HydrophobicContact CG2-CG 4.33Å
986L81.5Confident69.4Low3 Ų345 Ų452%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-121.8133.9-178-57.5177000110.6F958 M961 V963 L996 G1000 V1002 P1016F958-L986 HydrophobicContact CD1-CD1 4.23Å; F958-L986 HydrophobicContact CD1-CD2 3.75Å; F958-L986 HydrophobicContact CE1-CD1 3.85Å; F958-L986 HydrophobicContact CE1-CD2 3.79Å; F958-L986 HydrophobicContact CG-CD2 4.48Å; M961-L986 HydrophobicContact CE-CB 3.87Å; M961-L986 HydrophobicContact CE-CD1 3.87Å; M961-L986 HydrophobicContact CE-CD2 4.17Å; M961-L986 HydrophobicContact CE-CG 4.2Å; V963-L986 HydrophobicContact CB-CD2 4.16Å; V963-L986 HydrophobicContact CG1-CD2 3.78Å; V963-L986 HydrophobicContact CG2-CD2 3.63Å; L986-L996 HydrophobicContact CB-CD2 4.32Å; L986-L996 WeakPolarHBondContact O-CD2 3.41Å; L986-G1000 PolarHBondContact N-O 3.37Å; L986-V1002 HydrophobicContact CD1-CB 4.49Å; L986-V1002 HydrophobicContact CD1-CG1 3.81Å; L986-V1002 HydrophobicContact CD1-CG2 3.97Å; L986-V1002 HydrophobicContact CG-CG2 4.38Å; L986-P1016 HydrophobicContact CD1-CB 3.65Å; L986-P1016 HydrophobicContact CD1-CG 3.35Å
987R70.7Confident70Confident112 Ų11244.4 Ų44.442%0.42324%0.236SC..EExtended strand (participates in β ladder)trans-148155.4175.5-58.8-177.2179.3-161.25.8110.7M961 T962 T985 S1041M961-R987 CarbonylContact C-O 3.51Å; M961-R987 WeakPolarHBondContact CA-O 3.31Å; M961-R987 WeakPolarHBondContact CB-O 3.44Å; T962-R987 PolarHBondContact N-O 3.14Å; T962-R987 PolarHBondContact O-N 3.39Å; T962-R987 VanDerWaalsContact O-N 3.11Å; T962-R987 PolarHBondContact OG1-O 3Å; T985-R987 HydrophobicContact CG2-CG 4.33Å; R987-S1041 VanDerWaalsContact NH1-C 3.3Å; R987-S1041 PolarHBondContact NH1-O 2.75Å
988C67.6Low70.3Confident10 Ų1042 Ų427%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-78136.7176.8-59.70000112.5H960 H990 F994 C1018H960-C988 WeakPolarHBondContact O-CA 3.49Å; C988-H990 VanDerWaalsContact C-N 3.26Å; C988-H990 PolarHBondContact O-N 3.31Å; C988-F994 HydrophobicContact CB-CB 3.94Å; C988-C1018 WeakPolarHBondContact CA-SG 3.37Å; C988-C1018 HydrophobicContact CB-CB 4.06Å; C988-C1018 WeakPolarHBondContact CB-SG 3.26Å; C988-C1018 VanDerWaalsContact SG-CA 3.6Å; C988-C1018 WeakPolarHBondContact SG-CB 3.28Å; C988-C1018 CovalentContact SG-SG 2.04Å; C988-C1018 PolarHBondContact SG-SG 2.92Å
989E57.4Low70.3Confident55 Ų5542.6 Ų42.626%0.25724%0.238SC..SBendtrans-57.8-36.5-179.3-171.9-173.216300112.2H960H960-E989 WeakPolarHBondContact O-CB 3.5Å; H960-E989 PolarHBondContact O-N 3.11Å
990H58.7Low70.3Confident46 Ų4640.7 Ų40.721%0.21323%0.232CC..SBendtrans-109.978.4177.9-62-33.4000111.2Q821 C988 G992 L993 F994 R1089Q821-H990 PolarHBondContact OE1-CE1 2.83Å; C988-H990 VanDerWaalsContact C-N 3.26Å; C988-H990 PolarHBondContact O-N 3.31Å; H990-G992 PolarHBondContact O-N 2.81Å; H990-L993 HydrophobicContact CB-CB 4.12Å; H990-L993 HydrophobicContact CB-CD1 4.3Å; H990-L993 PolarHBondContact O-N 2.84Å; H990-F994 HydrophobicContact CB-CD2 3.93Å; H990-F994 HydrophobicContact CB-CE2 4.19Å; H990-F994 PolarHBondContact O-N 3.49Å; H990-R1089 PolarHBondContact CE1-NH1 3.45Å; H990-R1089 WeakPolarHBondContact NE2-CD 3.49Å; H990-R1089 PolarHBondContact NE2-NE 2.69Å; H990-R1089 PolarHBondContact NE2-NH1 3.25Å
991V49.7Very low70.6Confident82 Ų8241.3 Ų41.350%0.49724%0.235SC..BIsolated β-bridgetrans-52.3106.4176.7-175.20000110.4H1133V991-H1133 PolarHBondContact O-NE2 2.03Å
992G48.2Very low70.8Confident3 Ų339.4 Ų39.43%0.03122%0.215CC..THydrogen-bonded Turntrans109.7-20.5178.700000115.7H990 A1026H990-G992 PolarHBondContact O-N 2.81Å; G992-A1026 WeakPolarHBondContact O-CB 3.43Å
993L55.1Low71.1Confident36 Ų3641.7 Ų41.719%0.18823%0.225CC..THydrogen-bonded Turntrans-89.1-23.8166.8-69.3176.5000111.8H990 I1021 A1026 L1057 F1090H990-L993 HydrophobicContact CB-CB 4.12Å; H990-L993 HydrophobicContact CB-CD1 4.3Å; H990-L993 PolarHBondContact O-N 2.84Å; L993-I1021 PolarHBondContact O-N 3.48Å; L993-A1026 HydrophobicContact CD2-CB 4.23Å; L993-L1057 HydrophobicContact CD2-CD1 3.8Å; L993-F1090 HydrophobicContact CB-CZ 4.19Å; L993-F1090 HydrophobicContact CD1-CZ 4.25Å; L993-F1090 HydrophobicContact CD2-CZ 4.37Å
994F63.3Low71.1Confident13 Ų1339.4 Ų39.46%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-132.7141.4-179.4-59-103.3000111.5C988 H990 C1018 R1019 P1020 F1090C988-F994 HydrophobicContact CB-CB 3.94Å; H990-F994 HydrophobicContact CB-CD2 3.93Å; H990-F994 HydrophobicContact CB-CE2 4.19Å; H990-F994 PolarHBondContact O-N 3.49Å; F994-C1018 HydrophobicContact CB-CB 3.96Å; F994-C1018 HydrophobicContact CD1-CB 4.18Å; F994-C1018 HydrophobicContact CG-CB 4.35Å; F994-R1019 CarbonylContact C-O 3.56Å; F994-R1019 VanDerWaalsContact CA-O 3.31Å; F994-R1019 WeakPolarHBondContact CA-O 3.16Å; F994-P1020 HydrophobicContact CD1-CB 4.49Å; F994-P1020 HydrophobicContact CD1-CG 4.12Å; F994-P1020 HydrophobicContact CE1-CB 4.47Å; F994-P1020 HydrophobicContact CE1-CG 3.88Å; F994-F1090 HydrophobicContact CE1-CD1 4.15Å; F994-F1090 HydrophobicContact CE1-CE1 4.19Å; F994-F1090 AromaticContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE2 4.45Å; F994-F1090 AromaticContact CE2-CZ 3.92Å; F994-F1090 HydrophobicContact CE2-CZ 3.92Å; F994-F1090 AromaticContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD2 4.42Å; F994-F1090 AromaticContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE2 4.3Å; F994-F1090 HydrophobicContact CZ-CG 4.19Å; F994-F1090 AromaticContact CZ-CZ 3.91Å; F994-F1090 HydrophobicContact CZ-CZ 3.91Å
995Q62.1Low71.1Confident89 Ų8945.8 Ų45.842%0.41624%0.239SC..EExtended strand (participates in β ladder)trans-103.5131.3171.8171.118030.200108.2V997 R1019 I1021Q995-V997 HydrophobicContact CG-CG2 4.35Å; Q995-V997 PolarHBondContact O-N 3.15Å; Q995-R1019 PolarHBondContact N-O 3.2Å; Q995-R1019 PolarHBondContact O-N 2.78Å; Q995-I1021 HydrophobicContact CB-CD1 3.92Å; Q995-I1021 HydrophobicContact CB-CG1 3.72Å
996L71.8Confident71Confident44 Ų4450.3 Ų50.323%0.2326%0.262CS..EExtended strand (participates in β ladder)trans-69128168.7-174.564.7000109.7M961 L986 P1016M961-L996 HydrophobicContact CE-CD1 3.83Å; L986-L996 HydrophobicContact CB-CD2 4.32Å; L986-L996 WeakPolarHBondContact O-CD2 3.41Å; L996-P1016 HydrophobicContact CD1-CB 4.22Å
997V70.9Confident70.5Confident29 Ų2951.9 Ų51.918%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-122.1129175.3179.70000107.8Q995 P1016 Y1017 R1019Q995-V997 HydrophobicContact CG-CG2 4.35Å; Q995-V997 PolarHBondContact O-N 3.15Å; V997-P1016 CarbonylContact O-C 3.54Å; V997-P1016 VanDerWaalsContact O-CA 3.28Å; V997-P1016 WeakPolarHBondContact O-CA 3.13Å; V997-Y1017 HydrophobicContact CB-CD1 4.12Å; V997-Y1017 HydrophobicContact CB-CE1 3.66Å; V997-Y1017 HydrophobicContact CB-CE2 4.36Å; V997-Y1017 HydrophobicContact CG1-CD1 4.4Å; V997-Y1017 HydrophobicContact CG1-CE1 3.57Å; V997-Y1017 PolarHBondContact N-O 3.41Å; V997-Y1017 PolarHBondContact O-N 3.14Å; V997-R1019 HydrophobicContact CG2-CB 3.7Å
998G72.5Confident70.8Confident31 Ų3149.2 Ų49.232%0.3228%0.277SS..SBendtrans100.2-176.3-162.800000111.5P1014G998-P1014 WeakPolarHBondContact CA-O 3Å
999P74.9Confident71.3Confident26 Ų2650.9 Ų50.917%0.16928%0.282CS..  trans-73.3141.7-172.429.3-35.2000113Q1001 V1002 S1011 P1014 P1016P999-Q1001 WeakPolarHBondContact CB-O 3.47Å; P999-Q1001 PolarHBondContact O-N 2.91Å; P999-V1002 HydrophobicContact CG-CG1 4.4Å; P999-S1011 WeakPolarHBondContact CD-OG 3.38Å; P999-S1011 WeakPolarHBondContact CG-OG 3.34Å; P999-P1014 WeakPolarHBondContact CD-O 3.4Å; P999-P1016 WeakPolarHBondContact O-CB 3.49Å
1000G77.2Confident72Confident35 Ų3554.2 Ų54.236%0.36130%0.296SS..SBendtrans-73.9-9.4176.400000114.9L986L986-G1000 PolarHBondContact N-O 3.37Å
1001Q85.6Confident72.1Confident106 Ų10653.5 Ų53.550%0.49530%0.296SS..EExtended strand (participates in β ladder)trans-136.9146.9178.5-74.4154.2-82.300109.7V966 E983 L984 P999V966-Q1001 HydrophobicContact CG2-CG 4.46Å; E983-Q1001 PolarHBondContact OE1-NE2 3.01Å; L984-Q1001 CarbonylContact O-C 3.56Å; L984-Q1001 WeakPolarHBondContact O-CA 3.06Å; P999-Q1001 WeakPolarHBondContact CB-O 3.47Å; P999-Q1001 PolarHBondContact O-N 2.91Å
1002V86.3Confident72.4Confident5 Ų554.5 Ų54.53%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-133.8145.5170.7-67.70000110.8F958 L984 L986 P999 W1009 P1016F958-V1002 HydrophobicContact CE1-CG2 4.49Å; F958-V1002 HydrophobicContact CZ-CG2 4.36Å; L984-V1002 HydrophobicContact CB-CG2 3.91Å; L984-V1002 HydrophobicContact CD1-CG2 4.25Å; L984-V1002 HydrophobicContact CG-CG2 4.44Å; L984-V1002 PolarHBondContact N-O 2.97Å; L984-V1002 PolarHBondContact O-N 3.01Å; L986-V1002 HydrophobicContact CD1-CB 4.49Å; L986-V1002 HydrophobicContact CD1-CG1 3.81Å; L986-V1002 HydrophobicContact CD1-CG2 3.97Å; L986-V1002 HydrophobicContact CG-CG2 4.38Å; P999-V1002 HydrophobicContact CG-CG1 4.4Å; V1002-W1009 HydrophobicContact CB-CE3 4.47Å; V1002-W1009 HydrophobicContact CG2-CE3 3.93Å; V1002-P1016 HydrophobicContact CG1-CG 4.14Å
1003L87.5Confident72.8Confident71 Ų7160.1 Ų60.137%0.37234%0.341SS..EExtended strand (participates in β ladder)trans-111.7134.3-176.9-179.865.8000110.4G981 E983 F1010G981-L1003 WeakPolarHBondContact O-CD1 3.3Å; E983-L1003 HydrophobicContact CB-CD1 4.22Å; E983-L1003 HydrophobicContact CG-CD1 4.45Å; L1003-F1010 WeakPolarHBondContact O-CB 3.46Å; L1003-F1010 PolarHBondContact O-N 3.05Å
1004C85.6Confident73.2Confident1 Ų161.6 Ų61.61%0.00735%0.353CS..EExtended strand (participates in β ladder)trans-73.7122.5169.1174.20000110.7C951 G981 T982 W1009C951-C1004 HydrophobicContact CB-CB 3.81Å; C951-C1004 WeakPolarHBondContact CB-SG 3.47Å; C951-C1004 PolarHBondContact N-SG 3.48Å; C951-C1004 WeakPolarHBondContact SG-CA 3.5Å; C951-C1004 WeakPolarHBondContact SG-CB 3.39Å; C951-C1004 CovalentContact SG-SG 2.02Å; C951-C1004 PolarHBondContact SG-SG 3.06Å; G981-C1004 PolarHBondContact N-O 2.8Å; T982-C1004 WeakPolarHBondContact O-CB 3.12Å; T982-C1004 PolarHBondContact O-N 2.88Å; C1004-W1009 HydrophobicContact CB-CE3 4.2Å; C1004-W1009 HydrophobicContact CB-CH2 3.84Å; C1004-W1009 HydrophobicContact CB-CZ3 3.59Å
1005R83.8Confident73.3Confident134 Ų13469.2 Ų69.251%0.50639%0.386SS..EExtended strand (participates in β ladder)trans-151.3133.9177-169.8176.6-178.1-178.51.9111.9E980 G1007 S1008E980-R1005 WeakPolarHBondContact OE1-CA 3.2Å; E980-R1005 WeakPolarHBondContact OE1-CG 3.26Å; R1005-G1007 PolarHBondContact O-N 3.16Å; R1005-S1008 PolarHBondContact N-O 3.49Å; R1005-S1008 WeakPolarHBondContact O-CA 3.33Å; R1005-S1008 PolarHBondContact O-N 3.18Å; R1005-S1008 VanDerWaalsContact O-O 3.07Å; R1005-S1008 PolarHBondContact O-OG 3.13Å
1006N79.9Confident73.9Confident126 Ų12665.7 Ų65.767%0.67437%0.372SS*.THydrogen-bonded Turntrans47.141.9-176.7-65.443000112.8E980 S1008E980-N1006 PolarHBondContact OE1-N 3.35Å; E980-N1006 PolarHBondContact OE1-OD1 3.31Å; N1006-S1008 PolarHBondContact O-N 3.13Å
1007G72.2Confident74.2Confident36 Ų3669 Ų6937%0.37138%0.381SS..THydrogen-bonded Turntrans72.25.7-177.200000115.6G949 D950 R1005G949-G1007 WeakPolarHBondContact O-CA 3.07Å; G949-G1007 PolarHBondContact O-N 3.31Å; D950-G1007 WeakPolarHBondContact O-CA 3.33Å; R1005-G1007 PolarHBondContact O-N 3.16Å
1008S76.3Confident74.1Confident55 Ų5568.3 Ų68.339%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-121.1148.3-175.674.70000113.2C951 R1005 N1006 F1010C951-S1008 PolarHBondContact SG-N 2.03Å; C951-S1008 VanDerWaalsContact SG-N 3.38Å; C951-S1008 PolarHBondContact SG-O 2.85Å; C951-S1008 VanDerWaalsContact SG-O 3.4Å; R1005-S1008 PolarHBondContact N-O 3.49Å; R1005-S1008 WeakPolarHBondContact O-CA 3.33Å; R1005-S1008 PolarHBondContact O-N 3.18Å; R1005-S1008 VanDerWaalsContact O-O 3.07Å; R1005-S1008 PolarHBondContact O-OG 3.13Å; N1006-S1008 PolarHBondContact O-N 3.13Å; S1008-F1010 PolarHBondContact O-N 2.75Å
1009W78.6Confident74Confident46 Ų4672.3 Ų72.317%0.17438%0.383CS..EExtended strand (participates in β ladder)trans-80.3100.5172-67110.7000110.3C951 I952 F953 F958 L978 L984 V1002 C1004 S1011C951-W1009 HydrophobicContact CB-CD2 4.37Å; C951-W1009 HydrophobicContact CB-CH2 4.06Å; C951-W1009 HydrophobicContact CB-CZ2 3.59Å; I952-W1009 PolarHBondContact O-NE1 3.16Å; F953-W1009 HydrophobicContact CB-CZ2 4.06Å; F958-W1009 HydrophobicContact CZ-CG 4.46Å; L978-W1009 HydrophobicContact CB-CH2 4.19Å; L978-W1009 HydrophobicContact CB-CZ2 4.47Å; L978-W1009 HydrophobicContact CD1-CH2 3.72Å; L978-W1009 HydrophobicContact CD1-CZ2 4Å; L984-W1009 HydrophobicContact CD1-CD2 4.39Å; L984-W1009 HydrophobicContact CD1-CE3 3.93Å; L984-W1009 HydrophobicContact CD1-CH2 3.44Å; L984-W1009 VanDerWaalsContact CD1-CH2 3.44Å; L984-W1009 HydrophobicContact CD1-CZ2 3.92Å; L984-W1009 HydrophobicContact CD1-CZ3 3.43Å; L984-W1009 VanDerWaalsContact CD1-CZ3 3.43Å; L984-W1009 HydrophobicContact CG-CE3 4.43Å; L984-W1009 HydrophobicContact CG-CH2 3.92Å; L984-W1009 HydrophobicContact CG-CZ3 3.67Å; V1002-W1009 HydrophobicContact CB-CE3 4.47Å; V1002-W1009 HydrophobicContact CG2-CE3 3.93Å; C1004-W1009 HydrophobicContact CB-CE3 4.2Å; C1004-W1009 HydrophobicContact CB-CH2 3.84Å; C1004-W1009 HydrophobicContact CB-CZ3 3.59Å; W1009-S1011 PolarHBondContact O-N 3.46Å; W1009-S1011 VanDerWaalsContact O-N 3.11Å
1010F71.9Confident73.2Confident124 Ų12473.8 Ų73.854%0.54439%0.393SS..EExtended strand (participates in β ladder)trans-73105-178.2-150.3-89.4000110.2L1003 S1008L1003-F1010 WeakPolarHBondContact O-CB 3.46Å; L1003-F1010 PolarHBondContact O-N 3.05Å; S1008-F1010 PolarHBondContact O-N 2.75Å
1011S60.7Low72.3Confident32 Ų3275 Ų7522%0.22439%0.391CS..  trans-115.1132.5175.3-178.80000108.6P999 W1009 P1016P999-S1011 WeakPolarHBondContact CD-OG 3.38Å; P999-S1011 WeakPolarHBondContact CG-OG 3.34Å; W1009-S1011 PolarHBondContact O-N 3.46Å; W1009-S1011 VanDerWaalsContact O-N 3.11Å; S1011-P1016 WeakPolarHBondContact OG-CD 3.29Å
1012T56.5Low70.6Confident102 Ų10273.6 Ų73.663%0.62640%0.404SS*.PPolyproline II helixtrans-59.4142.8156.444.20000108.6P1014T1012-P1014 CarbonylContact O-C 3.5Å
1013S56.6Low69.2Low121 Ų12182.1 Ų82.185%0.84644%0.436SS*.SBendtrans-76.8137.4179.9-163.40000109.8
1014P63.3Low67.7Low68 Ų6880.6 Ų80.644%0.44243%0.431SS..SBendcis-78.8153.74.833.1-36.6000114.1G998 P999 T1012G998-P1014 WeakPolarHBondContact CA-O 3Å; P999-P1014 WeakPolarHBondContact CD-O 3.4Å; T1012-P1014 CarbonylContact O-C 3.5Å
1015K65.6Low66.7Low172 Ų17281.1 Ų81.175%0.74843%0.434SS*.PPolyproline II helixtrans-49.9145168.3-76.2-170.4175-171.60111Y1017K1015-Y1017 WeakPolarHBondContact O-CD1 3.41Å; K1015-Y1017 PolarHBondContact O-N 2.83Å
1016P75.3Confident66.2Low16 Ų1675 Ų7510%0.10441%0.412CS..PPolyproline II helixtrans-71.8124.7-17730.2-35.7000111.8F958 M961 L986 L996 V997 P999 V1002 S1011F958-P1016 HydrophobicContact CE1-CG 4.3Å; M961-P1016 HydrophobicContact CE-CB 3.91Å; M961-P1016 HydrophobicContact CE-CG 4.28Å; L986-P1016 HydrophobicContact CD1-CB 3.65Å; L986-P1016 HydrophobicContact CD1-CG 3.35Å; L996-P1016 HydrophobicContact CD1-CB 4.22Å; V997-P1016 CarbonylContact O-C 3.54Å; V997-P1016 VanDerWaalsContact O-CA 3.28Å; V997-P1016 WeakPolarHBondContact O-CA 3.13Å; P999-P1016 WeakPolarHBondContact O-CB 3.49Å; V1002-P1016 HydrophobicContact CG1-CG 4.14Å; S1011-P1016 WeakPolarHBondContact OG-CD 3.29Å
1017Y77.4Confident66.3Low112 Ų11269.3 Ų69.344%0.43938%0.382SS..EExtended strand (participates in β ladder)trans-142.8155.717673.2-82000112.3V997 K1015 R1019V997-Y1017 HydrophobicContact CB-CD1 4.12Å; V997-Y1017 HydrophobicContact CB-CE1 3.66Å; V997-Y1017 HydrophobicContact CB-CE2 4.36Å; V997-Y1017 HydrophobicContact CG1-CD1 4.4Å; V997-Y1017 HydrophobicContact CG1-CE1 3.57Å; V997-Y1017 PolarHBondContact N-O 3.41Å; V997-Y1017 PolarHBondContact O-N 3.14Å; K1015-Y1017 WeakPolarHBondContact O-CD1 3.41Å; K1015-Y1017 PolarHBondContact O-N 2.83Å; Y1017-R1019 HydrophobicContact CD2-CB 4.25Å; Y1017-R1019 HydrophobicContact CE2-CB 3.67Å; Y1017-R1019 HydrophobicContact CE2-CG 4.16Å; Y1017-R1019 PolarHBondContact O-N 2.79Å
1018C68.3Low66.5Low15 Ų1569.6 Ų69.610%0.10138%0.376CS..EExtended strand (participates in β ladder)trans-91.3101.5177.3-750000111.2H960 M961 C988 F994H960-C1018 HydrophobicContact CB-CB 4.3Å; M961-C1018 WeakPolarHBondContact CG-SG 3.26Å; C988-C1018 WeakPolarHBondContact CA-SG 3.37Å; C988-C1018 HydrophobicContact CB-CB 4.06Å; C988-C1018 WeakPolarHBondContact CB-SG 3.26Å; C988-C1018 VanDerWaalsContact SG-CA 3.6Å; C988-C1018 WeakPolarHBondContact SG-CB 3.28Å; C988-C1018 CovalentContact SG-SG 2.04Å; C988-C1018 PolarHBondContact SG-SG 2.92Å; F994-C1018 HydrophobicContact CB-CB 3.96Å; F994-C1018 HydrophobicContact CD1-CB 4.18Å; F994-C1018 HydrophobicContact CG-CB 4.35Å
1019R69.5Low66.8Low115 Ų11570.9 Ų70.943%0.43438%0.375SS..EExtended strand (participates in β ladder)trans-83.4131.2176.4-171.317765.3172.4-2110.6F994 Q995 V997 Y1017 I1021F994-R1019 CarbonylContact C-O 3.56Å; F994-R1019 VanDerWaalsContact CA-O 3.31Å; F994-R1019 WeakPolarHBondContact CA-O 3.16Å; Q995-R1019 PolarHBondContact N-O 3.2Å; Q995-R1019 PolarHBondContact O-N 2.78Å; V997-R1019 HydrophobicContact CG2-CB 3.7Å; Y1017-R1019 HydrophobicContact CD2-CB 4.25Å; Y1017-R1019 HydrophobicContact CE2-CB 3.67Å; Y1017-R1019 HydrophobicContact CE2-CG 4.16Å; Y1017-R1019 PolarHBondContact O-N 2.79Å; R1019-I1021 PolarHBondContact O-N 2.03Å
1020P58.3Low66.8Low57 Ų5774.6 Ų74.637%0.3739%0.389SS..EExtended strand (participates in β ladder)trans-53.9132.3172.5-27.435000112.8F994 G1022 F1090F994-P1020 HydrophobicContact CD1-CB 4.49Å; F994-P1020 HydrophobicContact CD1-CG 4.12Å; F994-P1020 HydrophobicContact CE1-CB 4.47Å; F994-P1020 HydrophobicContact CE1-CG 3.88Å; P1020-G1022 VanDerWaalsContact C-N 3.29Å; P1020-G1022 PolarHBondContact O-N 2.8Å; P1020-F1090 HydrophobicContact CB-CD1 4.03Å; P1020-F1090 HydrophobicContact CB-CE1 4.13Å; P1020-F1090 HydrophobicContact CG-CD1 4.04Å
1021I58.3Low66.7Low61 Ų6171 Ų7131%0.31338%0.377SS..  trans-81.580.5171.7-52.8-176.5000107.9L993 Q995 R1019 R1023L993-I1021 PolarHBondContact O-N 3.48Å; Q995-I1021 HydrophobicContact CB-CD1 3.92Å; Q995-I1021 HydrophobicContact CB-CG1 3.72Å; R1019-I1021 PolarHBondContact O-N 2.03Å; I1021-R1023 WeakPolarHBondContact CG2-O 3.47Å; I1021-R1023 PolarHBondContact O-N 2.04Å
1022G50.2Low67.2Low76 Ų7673.7 Ų73.778%0.78439%0.392SS*.  trans-66.823.3177.700000115.3P1020P1020-G1022 VanDerWaalsContact C-N 3.29Å; P1020-G1022 PolarHBondContact O-N 2.8Å
1023R56.3Low67.5Low184 Ų18475 Ų7569%0.69439%0.391SS*.SBendtrans-143.5101.3-179.4-67.6-173.6178.1-171.1-2.2109.3I1021I1021-R1023 WeakPolarHBondContact CG2-O 3.47Å; I1021-R1023 PolarHBondContact O-N 2.04Å
1024P56.5Low67.5Low40 Ų4071 Ų7126%0.2637%0.369SS..SBendtrans-60.4155.9172.325.2-32.7000110.9L1057 Y1058 P1059 R1131P1024-L1057 WeakPolarHBondContact CB-O 3.44Å; P1024-Y1058 HydrophobicContact CB-CD2 3.92Å; P1024-Y1058 HydrophobicContact CB-CE2 4.47Å; P1024-Y1058 HydrophobicContact CG-CD2 4.3Å; P1024-P1059 HydrophobicContact CG-CG 4.18Å; P1024-R1131 PolarHBondContact O-NH2 3.25Å
1025P65.9Low67.1Low11 Ų1169.3 Ų69.37%0.07136%0.356CS..  cis-87.7141.621.432.3-32000115C1056 Y1058 C1125 D1127 R1131 H1133P1025-C1056 WeakPolarHBondContact CB-SG 3.44Å; P1025-Y1058 HydrophobicContact CB-CD2 4.18Å; P1025-C1125 HydrophobicContact CB-CB 4.41Å; P1025-D1127 HydrophobicContact CG-CB 4.04Å; P1025-R1131 WeakPolarHBondContact CG-O 3.29Å; P1025-H1133 WeakPolarHBondContact O-CB 3.22Å
1026A72.9Confident66.9Low6 Ų661.7 Ų61.75%0.0533%0.325CS..EExtended strand (participates in β ladder)trans-129.3137.1173.700000110.2G992 L993 C1056 L1057G992-A1026 WeakPolarHBondContact O-CB 3.43Å; L993-A1026 HydrophobicContact CD2-CB 4.23Å; A1026-C1056 CarbonylContact O-C 3.36Å; A1026-C1056 WeakPolarHBondContact O-CA 3.31Å; A1026-L1057 HydrophobicContact CB-CB 4.36Å; A1026-L1057 HydrophobicContact CB-CD1 4.36Å; A1026-L1057 PolarHBondContact N-O 2.99Å; A1026-L1057 PolarHBondContact O-N 3.39Å
1027I80.8Confident66.1Low7 Ų761.7 Ų61.74%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-98118.7-179.5-58170.9000110.3L1054 W1067 C1125 H1133 I1135I1027-L1054 HydrophobicContact CG2-CB 4.26Å; I1027-L1054 HydrophobicContact CG2-CD2 4.36Å; I1027-W1067 HydrophobicContact CD1-CH2 3.89Å; I1027-W1067 HydrophobicContact CD1-CZ3 3.78Å; I1027-W1067 HydrophobicContact CG1-CH2 3.88Å; I1027-W1067 HydrophobicContact CG1-CZ3 4.28Å; I1027-W1067 HydrophobicContact CG2-CH2 3.99Å; I1027-C1125 HydrophobicContact CD1-CB 4.12Å; I1027-C1125 HydrophobicContact CG1-CB 3.96Å; I1027-H1133 VanDerWaalsContact CA-CE1 3.5Å; I1027-H1133 WeakPolarHBondContact CA-CE1 3.19Å; I1027-H1133 WeakPolarHBondContact CB-CE1 3.41Å; I1027-H1133 HydrophobicContact CD1-CB 4.42Å; I1027-H1133 WeakPolarHBondContact CD1-CE1 3.28Å; I1027-H1133 HydrophobicContact CG1-CB 4.31Å; I1027-H1133 WeakPolarHBondContact CG1-CE1 3.48Å; I1027-H1133 WeakPolarHBondContact CG1-ND1 3.36Å; I1027-H1133 PolarHBondContact N-CE1 2.78Å; I1027-I1135 HydrophobicContact CD1-CG2 4.06Å; I1027-I1135 HydrophobicContact CG2-CG2 4.09Å
1028V78Confident65.2Low41 Ų4159.4 Ų59.425%0.24832%0.324CS..EExtended strand (participates in β ladder)trans-98.2153.9163.9177.20000108.6D1055 L1057V1028-D1055 HydrophobicContact CB-CB 4.31Å; V1028-D1055 PolarHBondContact N-O 2.86Å; V1028-D1055 PolarHBondContact O-N 2.88Å; V1028-L1057 HydrophobicContact CG2-CD1 3.78Å; V1028-L1057 HydrophobicContact CG2-CD2 4.27Å; V1028-L1057 HydrophobicContact CG2-CG 3.96Å
1029F82.8Confident64.3Low83 Ų8359.6 Ų59.636%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-131.2152.9176.369.6-91.9000112.5L1044 L1052 Q1053 L1054 I1135F1029-L1044 HydrophobicContact CB-CD2 4.1Å; F1029-L1044 HydrophobicContact CD1-CD1 4.35Å; F1029-L1044 HydrophobicContact CD1-CD2 4.32Å; F1029-L1044 HydrophobicContact CD2-CD1 3.81Å; F1029-L1044 HydrophobicContact CD2-CD2 3.9Å; F1029-L1044 HydrophobicContact CE1-CD1 4.06Å; F1029-L1044 HydrophobicContact CE2-CD1 3.49Å; F1029-L1044 VanDerWaalsContact CE2-CD1 3.49Å; F1029-L1044 HydrophobicContact CE2-CD2 4.45Å; F1029-L1044 HydrophobicContact CG-CD1 4.24Å; F1029-L1044 HydrophobicContact CG-CD2 3.84Å; F1029-L1044 HydrophobicContact CZ-CD1 3.63Å; F1029-L1052 HydrophobicContact CB-CD1 4.41Å; F1029-Q1053 WeakPolarHBondContact CA-O 3.49Å; F1029-L1054 HydrophobicContact CB-CD2 3.65Å; F1029-I1135 HydrophobicContact CD1-CD1 3.98Å
1030R76.7Confident63Low123 Ų12356.2 Ų56.246%0.46432%0.32SS..EExtended strand (participates in β ladder)trans-153151.4170.266.4-173.4-159.8153.57.3111Q1053R1030-Q1053 HydrophobicContact CG-CB 3.95Å; R1030-Q1053 VanDerWaalsContact CZ-OE1 3.27Å; R1030-Q1053 PolarHBondContact N-O 2.87Å; R1030-Q1053 PolarHBondContact O-N 3.04Å
1031T70.6Confident62.5Low49 Ų4956.2 Ų56.230%0.30132%0.321SS..EExtended strand (participates in β ladder)trans-96.8137165.450.90000110.7G1034 A1036 T1051 L1052T1031-G1034 VanDerWaalsContact CB-O 3.3Å; T1031-G1034 WeakPolarHBondContact CB-O 3.07Å; T1031-G1034 PolarHBondContact OG1-O 3.44Å; T1031-A1036 HydrophobicContact CG2-CB 3.87Å; T1031-T1051 CarbonylContact C-O 3.58Å; T1031-T1051 WeakPolarHBondContact CA-O 3.49Å; T1031-L1052 HydrophobicContact CG2-CD1 4.28Å
1032V71.5Confident62.2Low89 Ų8954.8 Ų54.854%0.53932%0.321SS..EExtended strand (participates in β ladder)trans-88.9-31.4172.4-179.10000110.4T1051 Q1053V1032-T1051 HydrophobicContact CB-CG2 4.06Å; V1032-T1051 HydrophobicContact CG2-CG2 4.37Å; V1032-T1051 PolarHBondContact N-O 2.87Å; V1032-Q1053 HydrophobicContact CG2-CG 3.83Å
1033Q61.9Low63Low128 Ų12851.9 Ų51.960%0.59829%0.288SS*.EExtended strand (participates in β ladder)trans-147.6141.1179.2-170.9177.51200107.4S1050 T1051Q1033-S1050 CarbonylContact O-C 3.58Å; Q1033-S1050 WeakPolarHBondContact O-CA 3.49Å; Q1033-S1050 WeakPolarHBondContact O-CB 3.13Å; Q1033-T1051 PolarHBondContact O-N 2.87Å
1034G56.5Low63.8Low37 Ų3743.2 Ų43.238%0.38126%0.256SS..SBendtrans66.8-159-173.600000113.7T1031T1031-G1034 VanDerWaalsContact CB-O 3.3Å; T1031-G1034 WeakPolarHBondContact CB-O 3.07Å; T1031-G1034 PolarHBondContact OG1-O 3.44Å
1035D56.3Low64.6Low34 Ų3442.3 Ų42.318%0.18225%0.248CC..  trans-132.9141.3-157.7-76.7-76.7000114.3L765 K804 V1046 R1047 S1050L765-D1035 WeakPolarHBondContact CD1-OD2 3.2Å; K804-D1035 WeakPolarHBondContact CE-OD1 3.04Å; K804-D1035 IonicContact NZ-OD1 3.99Å; K804-D1035 PolarHBondContact NZ-OD1 2.83Å; D1035-V1046 WeakPolarHBondContact O-CA 3.41Å; D1035-R1047 HydrophobicContact CB-CB 4.17Å; D1035-R1047 PolarHBondContact O-N 3.26Å; D1035-S1050 PolarHBondContact N-OG 2.91Å; D1035-S1050 PolarHBondContact O-OG 3.02Å
1036A61.2Low64.9Low12 Ų1241.8 Ų41.810%0.09925%0.245CC..EExtended strand (participates in β ladder)trans-128.5159.7160.400000111.2K804 T1031 L1044 I1045 V1046K804-A1036 WeakPolarHBondContact CE-O 3.5Å; K804-A1036 PolarHBondContact NZ-O 2.97Å; T1031-A1036 HydrophobicContact CG2-CB 3.87Å; A1036-L1044 HydrophobicContact CB-CD1 3.84Å; A1036-L1044 HydrophobicContact CB-CD2 4.45Å; A1036-L1044 HydrophobicContact CB-CG 4.15Å; A1036-I1045 CarbonylContact C-O 3.32Å; A1036-I1045 WeakPolarHBondContact CA-O 3.43Å; A1036-V1046 HydrophobicContact CB-CG2 3.88Å
1037S58.6Low64.5Low16 Ų1645.7 Ų45.711%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-153.4139.1168.6-169.20000110I1045S1037-I1045 PolarHBondContact N-O 3.3Å; S1037-I1045 WeakPolarHBondContact O-CA 3.32Å; S1037-I1045 WeakPolarHBondContact O-CB 3.08Å; S1037-I1045 PolarHBondContact O-N 3.5Å
1038P56.9Low64.1Low63 Ų6351.6 Ų51.641%0.40928%0.28SS..EExtended strand (participates in β ladder)trans-67.4149.8167.630.4-34.5000111.1D1043P1038-D1043 CarbonylContact C-O 3.58Å; P1038-D1043 WeakPolarHBondContact CA-O 3.03Å
1039S50.3Low63.9Low19 Ų1952.9 Ų52.913%0.13329%0.291CS..  trans-94.4169.1168.465.90000112S1041 G1042 D1043S1039-S1041 PolarHBondContact O-N 2.93Å; S1039-S1041 PolarHBondContact OG-N 2.7Å; S1039-S1041 PolarHBondContact OG-OG 3.37Å; S1039-G1042 PolarHBondContact O-N 3.38Å; S1039-G1042 PolarHBondContact OG-N 2.85Å; S1039-D1043 PolarHBondContact N-O 3.09Å; S1039-D1043 PolarHBondContact OG-N 3.28Å; S1039-D1043 PolarHBondContact OG-O 3.47Å
1040S43.4Very low63.5Low45 Ų4549 Ų4932%0.31527%0.274SS..THydrogen-bonded Turntrans-60.3-29.5168.252.80000113.1G1042S1040-G1042 PolarHBondContact O-N 2.78Å
1041S47.6Very low63.8Low56 Ų5643.4 Ų43.439%0.39225%0.254SS..THydrogen-bonded Turntrans-74.3-0.917259.40000114.7R987 S1039 D1043R987-S1041 VanDerWaalsContact NH1-C 3.3Å; R987-S1041 PolarHBondContact NH1-O 2.75Å; S1039-S1041 PolarHBondContact O-N 2.93Å; S1039-S1041 PolarHBondContact OG-N 2.7Å; S1039-S1041 PolarHBondContact OG-OG 3.37Å; S1041-D1043 VanDerWaalsContact C-N 3.28Å; S1041-D1043 WeakPolarHBondContact CB-OD2 3.28Å; S1041-D1043 PolarHBondContact O-N 3.32Å; S1041-D1043 PolarHBondContact OG-OD2 3.04Å
1042G52.1Low64.6Low31 Ų3141.1 Ų41.132%0.3224%0.24SC..SBendtrans75.610.8-178.600000114.7S1039 S1040S1039-G1042 PolarHBondContact O-N 3.38Å; S1039-G1042 PolarHBondContact OG-N 2.85Å; S1040-G1042 PolarHBondContact O-N 2.78Å
1043D65.8Low65.5Low16 Ų1637.6 Ų37.69%0.08622%0.218CC..  trans-82.9138.6174.1-59.7-66.1000110.1P1038 S1039 S1041 I1045 R1136 I1138P1038-D1043 CarbonylContact C-O 3.58Å; P1038-D1043 WeakPolarHBondContact CA-O 3.03Å; S1039-D1043 PolarHBondContact N-O 3.09Å; S1039-D1043 PolarHBondContact OG-N 3.28Å; S1039-D1043 PolarHBondContact OG-O 3.47Å; S1041-D1043 VanDerWaalsContact C-N 3.28Å; S1041-D1043 WeakPolarHBondContact CB-OD2 3.28Å; S1041-D1043 PolarHBondContact O-N 3.32Å; S1041-D1043 PolarHBondContact OG-OD2 3.04Å; D1043-I1045 HydrophobicContact CB-CD1 4.22Å; D1043-I1045 PolarHBondContact O-N 3.03Å; D1043-R1136 WeakPolarHBondContact OD1-CB 3.47Å; D1043-R1136 WeakPolarHBondContact OD1-CD 3.5Å; D1043-R1136 WeakPolarHBondContact OD1-CG 3.35Å; D1043-R1136 IonicContact OD1-CZ 3.95Å; D1043-R1136 IonicContact OD1-NE 2.84Å; D1043-R1136 IonicContact OD1-NH1 2.93Å; D1043-R1136 PolarHBondContact OD1-NH1 2.81Å; D1043-R1136 IonicContact OD2-NH1 2.78Å; D1043-R1136 PolarHBondContact OD2-NH1 3.06Å; D1043-R1136 VanDerWaalsContact OD2-NH1 3.09Å; D1043-I1138 HydrophobicContact CB-CD1 3.65Å; D1043-I1138 HydrophobicContact CB-CG1 4.17Å
1044L73.9Confident66.9Low2 Ų231.5 Ų31.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-82.3101.1172.6-172.565.1000109.6F1029 A1036 V1046 L1052 L1054 I1135 R1136 V1137 I1138F1029-L1044 HydrophobicContact CB-CD2 4.1Å; F1029-L1044 HydrophobicContact CD1-CD1 4.35Å; F1029-L1044 HydrophobicContact CD1-CD2 4.32Å; F1029-L1044 HydrophobicContact CD2-CD1 3.81Å; F1029-L1044 HydrophobicContact CD2-CD2 3.9Å; F1029-L1044 HydrophobicContact CE1-CD1 4.06Å; F1029-L1044 HydrophobicContact CE2-CD1 3.49Å; F1029-L1044 VanDerWaalsContact CE2-CD1 3.49Å; F1029-L1044 HydrophobicContact CE2-CD2 4.45Å; F1029-L1044 HydrophobicContact CG-CD1 4.24Å; F1029-L1044 HydrophobicContact CG-CD2 3.84Å; F1029-L1044 HydrophobicContact CZ-CD1 3.63Å; A1036-L1044 HydrophobicContact CB-CD1 3.84Å; A1036-L1044 HydrophobicContact CB-CD2 4.45Å; A1036-L1044 HydrophobicContact CB-CG 4.15Å; L1044-V1046 HydrophobicContact CD2-CG2 4.28Å; L1044-V1046 HydrophobicContact CG-CG2 4.02Å; L1044-L1052 HydrophobicContact CD2-CD1 3.88Å; L1044-L1052 HydrophobicContact CD2-CD2 4.26Å; L1044-L1054 HydrophobicContact CD2-CD2 4.48Å; L1044-I1135 HydrophobicContact CB-CD1 4.1Å; L1044-I1135 HydrophobicContact CB-CG1 4.27Å; L1044-I1135 HydrophobicContact CD2-CD1 3.96Å; L1044-R1136 PolarHBondContact N-O 3.33Å; L1044-V1137 HydrophobicContact CB-CG2 4.47Å; L1044-V1137 HydrophobicContact CD2-CG2 4.4Å; L1044-V1137 WeakPolarHBondContact O-CA 3.48Å; L1044-I1138 PolarHBondContact O-N 3.46Å
1045I72Confident68.5Low20 Ų2029.8 Ų29.810%0.10317%0.171CC..EExtended strand (participates in β ladder)trans-77125174.6-48.8-54000108.7I802 A1036 S1037 D1043 I1138 K1140I802-I1045 HydrophobicContact CD1-CG2 4.25Å; A1036-I1045 CarbonylContact C-O 3.32Å; A1036-I1045 WeakPolarHBondContact CA-O 3.43Å; S1037-I1045 PolarHBondContact N-O 3.3Å; S1037-I1045 WeakPolarHBondContact O-CA 3.32Å; S1037-I1045 WeakPolarHBondContact O-CB 3.08Å; S1037-I1045 PolarHBondContact O-N 3.5Å; D1043-I1045 HydrophobicContact CB-CD1 4.22Å; D1043-I1045 PolarHBondContact O-N 3.03Å; I1045-I1138 WeakPolarHBondContact CA-O 3.5Å; I1045-I1138 HydrophobicContact CD1-CB 4.02Å; I1045-I1138 HydrophobicContact CD1-CD1 4.26Å; I1045-I1138 HydrophobicContact CD1-CG2 4.48Å; I1045-K1140 HydrophobicContact CG2-CB 4.41Å; I1045-K1140 HydrophobicContact CG2-CD 4.01Å; I1045-K1140 HydrophobicContact CG2-CG 4.12Å
1046V74Confident70Confident1 Ų128.2 Ų28.21%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-123.3137.1-177.2179.50000109.9D1035 A1036 L1044 L1052 A1115 V1137 I1138 I1139 K1140D1035-V1046 WeakPolarHBondContact O-CA 3.41Å; A1036-V1046 HydrophobicContact CB-CG2 3.88Å; L1044-V1046 HydrophobicContact CD2-CG2 4.28Å; L1044-V1046 HydrophobicContact CG-CG2 4.02Å; V1046-L1052 HydrophobicContact CG2-CD2 4.25Å; V1046-A1115 HydrophobicContact CG1-CB 4.09Å; V1046-V1137 HydrophobicContact CB-CG1 4.47Å; V1046-V1137 HydrophobicContact CG2-CG1 3.75Å; V1046-I1138 PolarHBondContact N-O 2.84Å; V1046-I1139 HydrophobicContact CB-CG1 3.78Å; V1046-I1139 HydrophobicContact CG1-CG1 4.08Å; V1046-I1139 CarbonylContact O-C 3.43Å; V1046-I1139 VanDerWaalsContact O-CA 3.31Å; V1046-I1139 WeakPolarHBondContact O-CA 3.28Å; V1046-K1140 PolarHBondContact O-N 3.21Å
1047R64.5Low71.1Confident87 Ų8728.1 Ų28.133%0.32816%0.16SC..EExtended strand (participates in β ladder)trans-74.8137.8176.2-175.6178.9-177.4162.34.9109.9P766 D1035 S1050P766-R1047 PolarHBondContact O-NH2 2.88Å; D1035-R1047 HydrophobicContact CB-CB 4.17Å; D1035-R1047 PolarHBondContact O-N 3.26Å; R1047-S1050 VanDerWaalsContact O-CB 3.23Å; R1047-S1050 WeakPolarHBondContact O-CB 3.44Å; R1047-S1050 PolarHBondContact O-N 3.28Å; R1047-S1050 VanDerWaalsContact O-N 3.14Å; R1047-S1050 PolarHBondContact O-OG 3.2Å
1048R72.4Confident72.2Confident131 Ų13127.7 Ų27.749%0.49416%0.156SC..THydrogen-bonded Turntrans-48.6142.9171.4-167.9-175.7-172.8-171.32.9111.3S1050 A1115 K1140R1048-S1050 PolarHBondContact O-N 3.06Å; R1048-A1115 CarbonylContact C-O 3.5Å; R1048-A1115 WeakPolarHBondContact CA-O 3.37Å; R1048-K1140 PolarHBondContact N-O 2.84Å
1049S73.4Confident73Confident69 Ų6926.2 Ų26.248%0.48315%0.147SC..THydrogen-bonded Turntrans67.45.4-175.4-53.60000116.4A1115S1049-A1115 PolarHBondContact N-O 3.18Å
1050S74.4Confident74.4Confident1 Ų129.5 Ų29.51%0.00716%0.161CC..  trans-69.6146.9172.5-52.80000111.9Q1033 D1035 R1047 R1048 M1114 A1115Q1033-S1050 CarbonylContact O-C 3.58Å; Q1033-S1050 WeakPolarHBondContact O-CA 3.49Å; Q1033-S1050 WeakPolarHBondContact O-CB 3.13Å; D1035-S1050 PolarHBondContact N-OG 2.91Å; D1035-S1050 PolarHBondContact O-OG 3.02Å; R1047-S1050 VanDerWaalsContact O-CB 3.23Å; R1047-S1050 WeakPolarHBondContact O-CB 3.44Å; R1047-S1050 PolarHBondContact O-N 3.28Å; R1047-S1050 VanDerWaalsContact O-N 3.14Å; R1047-S1050 PolarHBondContact O-OG 3.2Å; R1048-S1050 PolarHBondContact O-N 3.06Å; S1050-M1114 PolarHBondContact O-N 2.84Å; S1050-A1115 WeakPolarHBondContact O-CB 3.32Å; S1050-A1115 PolarHBondContact O-N 3.05Å
1051T82Confident76Confident6 Ų633.2 Ų33.24%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-98.4104.4168.6-67.80000108.8T1031 V1032 Q1033 T1111 V1112 Y1113 M1114T1031-T1051 CarbonylContact C-O 3.58Å; T1031-T1051 WeakPolarHBondContact CA-O 3.49Å; V1032-T1051 HydrophobicContact CB-CG2 4.06Å; V1032-T1051 HydrophobicContact CG2-CG2 4.37Å; V1032-T1051 PolarHBondContact N-O 2.87Å; Q1033-T1051 PolarHBondContact O-N 2.87Å; T1051-T1111 HydrophobicContact CG2-CG2 3.93Å; T1051-V1112 WeakPolarHBondContact CA-O 3.14Å; T1051-Y1113 HydrophobicContact CG2-CD1 3.51Å; T1051-Y1113 HydrophobicContact CG2-CE1 3.86Å; T1051-Y1113 HydrophobicContact CG2-CG 4.42Å; T1051-M1114 PolarHBondContact OG1-N 3.02Å
1052L88.4Confident77.1Confident1 Ų136.5 Ų36.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-92.8135.7-179.9176.472.4000110.2F1029 T1031 L1044 V1046 L1054 T1111 V1112 V1137F1029-L1052 HydrophobicContact CB-CD1 4.41Å; T1031-L1052 HydrophobicContact CG2-CD1 4.28Å; L1044-L1052 HydrophobicContact CD2-CD1 3.88Å; L1044-L1052 HydrophobicContact CD2-CD2 4.26Å; V1046-L1052 HydrophobicContact CG2-CD2 4.25Å; L1052-L1054 HydrophobicContact CD1-CD2 4.24Å; L1052-L1054 HydrophobicContact CD2-CD2 3.98Å; L1052-L1054 HydrophobicContact CD2-CG 4.15Å; L1052-L1054 HydrophobicContact CG-CD2 4.11Å; L1052-L1054 HydrophobicContact CG-CG 4.31Å; L1052-T1111 WeakPolarHBondContact O-CA 3.38Å; L1052-V1112 HydrophobicContact CB-CB 4.29Å; L1052-V1112 PolarHBondContact N-O 3.44Å; L1052-V1112 PolarHBondContact O-N 2.85Å; L1052-V1137 HydrophobicContact CD2-CG1 3.97Å; L1052-V1137 HydrophobicContact CD2-CG2 4.2Å
1053Q90.5Very high78.2Confident15 Ų1536.6 Ų36.67%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-115.6128.7168.1-71.5-176.3-23.400109.3F1029 R1030 V1032 R1109 L1110 T1111F1029-Q1053 WeakPolarHBondContact CA-O 3.49Å; R1030-Q1053 HydrophobicContact CG-CB 3.95Å; R1030-Q1053 VanDerWaalsContact CZ-OE1 3.27Å; R1030-Q1053 PolarHBondContact N-O 2.87Å; R1030-Q1053 PolarHBondContact O-N 3.04Å; V1032-Q1053 HydrophobicContact CG2-CG 3.83Å; Q1053-R1109 HydrophobicContact CB-CG 4.39Å; Q1053-R1109 HydrophobicContact CG-CG 4.45Å; Q1053-L1110 WeakPolarHBondContact CA-O 3.26Å; Q1053-T1111 HydrophobicContact CG-CG2 3.79Å
1054L91.4Very high79Confident0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans-109.9116.9172.8-60.4-178.7000107.8I1027 F1029 L1044 L1052 W1067 R1109 L1110 F1123 I1135 V1137I1027-L1054 HydrophobicContact CG2-CB 4.26Å; I1027-L1054 HydrophobicContact CG2-CD2 4.36Å; F1029-L1054 HydrophobicContact CB-CD2 3.65Å; L1044-L1054 HydrophobicContact CD2-CD2 4.48Å; L1052-L1054 HydrophobicContact CD1-CD2 4.24Å; L1052-L1054 HydrophobicContact CD2-CD2 3.98Å; L1052-L1054 HydrophobicContact CD2-CG 4.15Å; L1052-L1054 HydrophobicContact CG-CD2 4.11Å; L1052-L1054 HydrophobicContact CG-CG 4.31Å; L1054-W1067 HydrophobicContact CB-CH2 3.56Å; L1054-W1067 HydrophobicContact CB-CZ2 3.98Å; L1054-W1067 HydrophobicContact CB-CZ3 4.28Å; L1054-W1067 HydrophobicContact CD1-CH2 4.35Å; L1054-W1067 HydrophobicContact CD1-CZ3 4.28Å; L1054-W1067 WeakPolarHBondContact O-CZ2 3.29Å; L1054-R1109 CarbonylContact O-C 3.6Å; L1054-R1109 WeakPolarHBondContact O-CA 3.45Å; L1054-L1110 HydrophobicContact CD1-CD2 4.49Å; L1054-L1110 PolarHBondContact N-O 2.81Å; L1054-L1110 PolarHBondContact O-N 3.26Å; L1054-F1123 HydrophobicContact CD1-CB 3.69Å; L1054-F1123 HydrophobicContact CD1-CD1 3.86Å; L1054-F1123 HydrophobicContact CD1-CD2 4.25Å; L1054-F1123 HydrophobicContact CD1-CG 3.67Å; L1054-I1135 HydrophobicContact CD1-CG2 4.05Å; L1054-I1135 HydrophobicContact CD2-CG2 4.29Å; L1054-V1137 HydrophobicContact CD1-CG2 4.49Å
1055D89.3Confident79.6Confident1 Ų141.5 Ų41.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-105.4103.3-173.7-68.7-16.4000108.8V1028 L1057 V1083 A1107 R1109V1028-D1055 HydrophobicContact CB-CB 4.31Å; V1028-D1055 PolarHBondContact N-O 2.86Å; V1028-D1055 PolarHBondContact O-N 2.88Å; D1055-L1057 PolarHBondContact O-N 2.94Å; D1055-V1083 HydrophobicContact CB-CG2 4.19Å; D1055-A1107 HydrophobicContact CB-CB 4.16Å; D1055-R1109 VanDerWaalsContact CG-NH2 3.29Å; D1055-R1109 WeakPolarHBondContact OD1-CB 3.07Å; D1055-R1109 WeakPolarHBondContact OD1-CG 3.34Å; D1055-R1109 IonicContact OD1-CZ 4Å; D1055-R1109 VanDerWaalsContact OD1-CZ 3.3Å; D1055-R1109 IonicContact OD1-NE 2.88Å; D1055-R1109 PolarHBondContact OD1-NE 2.02Å; D1055-R1109 IonicContact OD1-NH2 3.87Å; D1055-R1109 PolarHBondContact OD1-NH2 3.38Å; D1055-R1109 VanDerWaalsContact OD1-NH2 3.13Å; D1055-R1109 IonicContact OD2-CZ 3.91Å; D1055-R1109 IonicContact OD2-NE 3.79Å; D1055-R1109 IonicContact OD2-NH2 3.14Å; D1055-R1109 PolarHBondContact OD2-NH2 3.4Å
1056C89Confident80.4Confident0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-81.4100.7174.5-1780000109.8P1025 A1026 Y1058 W1067 A1107 Y1108 C1125P1025-C1056 WeakPolarHBondContact CB-SG 3.44Å; A1026-C1056 CarbonylContact O-C 3.36Å; A1026-C1056 WeakPolarHBondContact O-CA 3.31Å; C1056-Y1058 PolarHBondContact O-N 3.48Å; C1056-Y1058 VanDerWaalsContact O-N 3.12Å; C1056-W1067 HydrophobicContact CB-CH2 4.19Å; C1056-W1067 HydrophobicContact CB-CZ2 3.53Å; C1056-A1107 CarbonylContact O-C 3.57Å; C1056-A1107 WeakPolarHBondContact O-CA 3.49Å; C1056-A1107 WeakPolarHBondContact O-CB 3.2Å; C1056-Y1108 WeakPolarHBondContact CB-O 3.33Å; C1056-Y1108 PolarHBondContact N-O 2.86Å; C1056-Y1108 VanDerWaalsContact N-O 3.16Å; C1056-Y1108 PolarHBondContact O-N 3.34Å; C1056-C1125 HydrophobicContact CB-CB 3.61Å; C1056-C1125 WeakPolarHBondContact CB-SG 3.17Å; C1056-C1125 WeakPolarHBondContact SG-CB 3.4Å; C1056-C1125 CovalentContact SG-SG 2.01Å; C1056-C1125 PolarHBondContact SG-SG 2.84Å
1057L83Confident81.2Confident10 Ų1043.2 Ų43.25%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-59.3113.7174.3-56.5-177.1000109L993 P1024 A1026 V1028 D1055 V1083 V1085 L1105 A1107L993-L1057 HydrophobicContact CD2-CD1 3.8Å; P1024-L1057 WeakPolarHBondContact CB-O 3.44Å; A1026-L1057 HydrophobicContact CB-CB 4.36Å; A1026-L1057 HydrophobicContact CB-CD1 4.36Å; A1026-L1057 PolarHBondContact N-O 2.99Å; A1026-L1057 PolarHBondContact O-N 3.39Å; V1028-L1057 HydrophobicContact CG2-CD1 3.78Å; V1028-L1057 HydrophobicContact CG2-CD2 4.27Å; V1028-L1057 HydrophobicContact CG2-CG 3.96Å; D1055-L1057 PolarHBondContact O-N 2.94Å; L1057-V1083 HydrophobicContact CD2-CB 4.36Å; L1057-V1083 HydrophobicContact CD2-CG1 4.48Å; L1057-V1085 HydrophobicContact CD1-CG2 4.05Å; L1057-V1085 HydrophobicContact CD2-CG2 3.96Å; L1057-L1105 HydrophobicContact CD1-CD1 4.26Å; L1057-L1105 HydrophobicContact CD2-CB 4.43Å; L1057-A1107 HydrophobicContact CD2-CB 4.01Å
1058Y81.6Confident82.3Confident8 Ų844.1 Ų44.13%0.03123%0.23CC..  trans-155.7135.2177.4-160.4-96.2000109.9P1024 P1025 C1056 M1060 K1062 G1063 P1065 W1080 S1106 D1127 S1128P1024-Y1058 HydrophobicContact CB-CD2 3.92Å; P1024-Y1058 HydrophobicContact CB-CE2 4.47Å; P1024-Y1058 HydrophobicContact CG-CD2 4.3Å; P1025-Y1058 HydrophobicContact CB-CD2 4.18Å; C1056-Y1058 PolarHBondContact O-N 3.48Å; C1056-Y1058 VanDerWaalsContact O-N 3.12Å; Y1058-M1060 PolarHBondContact O-N 3.06Å; Y1058-K1062 HydrophobicContact CE1-CB 3.59Å; Y1058-K1062 PolarHBondContact OH-O 2.76Å; Y1058-G1063 WeakPolarHBondContact CD1-O 3.41Å; Y1058-G1063 WeakPolarHBondContact CE1-O 3.42Å; Y1058-P1065 HydrophobicContact CD1-CG 4.27Å; Y1058-P1065 HydrophobicContact CG-CB 4.22Å; Y1058-P1065 HydrophobicContact CG-CG 4.05Å; Y1058-W1080 HydrophobicContact CD1-CH2 4.34Å; Y1058-W1080 WeakPolarHBondContact O-CZ3 3.4Å; Y1058-S1106 PolarHBondContact N-O 2.83Å; Y1058-S1106 CarbonylContact O-C 3.54Å; Y1058-S1106 WeakPolarHBondContact O-CB 3.47Å; Y1058-S1106 VanDerWaalsContact O-O 3.04Å; Y1058-D1127 HydrophobicContact CD2-CB 3.91Å; Y1058-D1127 HydrophobicContact CE2-CB 3.25Å; Y1058-S1128 PolarHBondContact OH-OG 2.9Å
1059P75.2Confident83.2Confident32 Ų3240.9 Ų40.921%0.20822%0.218CC..  trans-69.2128.3-179.1-16.832.6000110.9P1024 D1061 K1062P1024-P1059 HydrophobicContact CG-CG 4.18Å; P1059-D1061 WeakPolarHBondContact CB-OD1 3.27Å; P1059-D1061 PolarHBondContact O-N 2.67Å; P1059-K1062 HydrophobicContact CB-CD 4.37Å; P1059-K1062 HydrophobicContact CB-CG 4.25Å; P1059-K1062 HydrophobicContact CG-CD 4.19Å; P1059-K1062 PolarHBondContact O-N 2.84Å
1060M79Confident83.7Confident88 Ų8841.4 Ų41.443%0.43322%0.219SC..G310 helixtrans-59.3-28.6-179.6-86.1-175.4-78.800112.9Y1058 K1062 W1080 S1106Y1058-M1060 PolarHBondContact O-N 3.06Å; M1060-K1062 VanDerWaalsContact C-N 3.25Å; M1060-K1062 PolarHBondContact O-N 2.77Å; M1060-W1080 HydrophobicContact CB-CH2 4.4Å; M1060-W1080 HydrophobicContact CB-CZ2 4.46Å; M1060-W1080 HydrophobicContact CG-CD2 3.49Å; M1060-W1080 VanDerWaalsContact CG-CD2 3.49Å; M1060-W1080 HydrophobicContact CG-CE3 3.42Å; M1060-W1080 VanDerWaalsContact CG-CE3 3.42Å; M1060-W1080 HydrophobicContact CG-CG 4.12Å; M1060-W1080 HydrophobicContact CG-CH2 3.74Å; M1060-W1080 HydrophobicContact CG-CZ2 3.79Å; M1060-W1080 HydrophobicContact CG-CZ3 3.57Å; M1060-W1080 HydrophobicContact SD-CB 4.04Å; M1060-W1080 HydrophobicContact SD-CD2 3.94Å; M1060-W1080 HydrophobicContact SD-CE3 4.12Å; M1060-W1080 HydrophobicContact SD-CG 3.93Å; M1060-S1106 WeakPolarHBondContact CE-OG 3.24Å
1061D76.7Confident83.7Confident122 Ų12241.7 Ų41.765%0.65222%0.221SC*.G310 helixtrans-66.5-16.5174.953.5-67.3000114.5P1059P1059-D1061 WeakPolarHBondContact CB-OD1 3.27Å; P1059-D1061 PolarHBondContact O-N 2.67Å
1062K70.8Confident82.6Confident125 Ų12547.4 Ų47.454%0.54326%0.261SS..G310 helixtrans-10412.6-176.9-60-173.4-174.3-178.70113.5Y1058 P1059 M1060 S1128Y1058-K1062 HydrophobicContact CE1-CB 3.59Å; Y1058-K1062 PolarHBondContact OH-O 2.76Å; P1059-K1062 HydrophobicContact CB-CD 4.37Å; P1059-K1062 HydrophobicContact CB-CG 4.25Å; P1059-K1062 HydrophobicContact CG-CD 4.19Å; P1059-K1062 PolarHBondContact O-N 2.84Å; M1060-K1062 VanDerWaalsContact C-N 3.25Å; M1060-K1062 PolarHBondContact O-N 2.77Å; K1062-S1128 PolarHBondContact O-OG 2.82Å; K1062-S1128 VanDerWaalsContact O-OG 3.1Å
1063G75Confident81.7Confident33 Ų3352 Ų5234%0.3428%0.279SS..  trans93.8-179.3-178.300000113.7Y1058Y1058-G1063 WeakPolarHBondContact CD1-O 3.41Å; Y1058-G1063 WeakPolarHBondContact CE1-O 3.42Å
1064Q83.1Confident81.2Confident121 Ų12155 Ų5557%0.56529%0.29SS*.PPolyproline II helixtrans-93.3120.7-176.3-174.5173.5-10.900110.9W1080 Y1108Q1064-W1080 HydrophobicContact CB-CZ2 4.3Å; Q1064-W1080 HydrophobicContact CG-CZ2 4.45Å; Q1064-Y1108 HydrophobicContact CG-CD2 4.41Å; Q1064-Y1108 HydrophobicContact CG-CE1 4.46Å; Q1064-Y1108 HydrophobicContact CG-CE2 4.12Å; Q1064-Y1108 VanDerWaalsContact NE2-CZ 3.28Å; Q1064-Y1108 PolarHBondContact NE2-OH 2.69Å
1065P86.2Confident80.5Confident1 Ų163.2 Ų63.21%0.00633%0.328CS..PPolyproline II helixtrans-75.6148.6173.834.6-37.1000110.6Y1058 W1080 Y1108 V1126Y1058-P1065 HydrophobicContact CD1-CG 4.27Å; Y1058-P1065 HydrophobicContact CG-CB 4.22Å; Y1058-P1065 HydrophobicContact CG-CG 4.05Å; P1065-W1080 HydrophobicContact CG-CH2 4.46Å; P1065-Y1108 HydrophobicContact CG-CD1 4.07Å; P1065-Y1108 HydrophobicContact CG-CG 4.1Å; P1065-Y1108 WeakPolarHBondContact O-CD1 3.44Å; P1065-Y1108 VanDerWaalsContact O-CE1 3.27Å; P1065-Y1108 WeakPolarHBondContact O-CE1 3.44Å; P1065-V1126 CarbonylContact C-O 3.49Å; P1065-V1126 VanDerWaalsContact CA-O 3.25Å; P1065-V1126 WeakPolarHBondContact CA-O 3.33Å; P1065-V1126 VanDerWaalsContact CB-O 3.3Å; P1065-V1126 WeakPolarHBondContact CB-O 3.42Å
1066A88.2Confident80.4Confident43 Ų4363.5 Ų63.536%0.35533%0.329SS..EExtended strand (participates in β ladder)trans-92.4138.1177.900000111.6V1126A1066-V1126 PolarHBondContact N-O 3.49Å; A1066-V1126 PolarHBondContact O-N 3.35Å
1067W90.8Very high80.3Confident13 Ų1366.7 Ų66.75%0.04935%0.349CS..EExtended strand (participates in β ladder)trans-90.7129.3164-78.1101.1000110.4I1027 L1054 C1056 Q1078 Y1108 L1110 F1123 Y1124 C1125I1027-W1067 HydrophobicContact CD1-CH2 3.89Å; I1027-W1067 HydrophobicContact CD1-CZ3 3.78Å; I1027-W1067 HydrophobicContact CG1-CH2 3.88Å; I1027-W1067 HydrophobicContact CG1-CZ3 4.28Å; I1027-W1067 HydrophobicContact CG2-CH2 3.99Å; L1054-W1067 HydrophobicContact CB-CH2 3.56Å; L1054-W1067 HydrophobicContact CB-CZ2 3.98Å; L1054-W1067 HydrophobicContact CB-CZ3 4.28Å; L1054-W1067 HydrophobicContact CD1-CH2 4.35Å; L1054-W1067 HydrophobicContact CD1-CZ3 4.28Å; L1054-W1067 WeakPolarHBondContact O-CZ2 3.29Å; C1056-W1067 HydrophobicContact CB-CH2 4.19Å; C1056-W1067 HydrophobicContact CB-CZ2 3.53Å; W1067-Q1078 HydrophobicContact CG-CG 4.5Å; W1067-Y1108 AromaticContact CD1-CD1 3.48Å; W1067-Y1108 VanDerWaalsContact CD1-CD1 3.48Å; W1067-Y1108 AromaticContact CD1-CE1 3.63Å; W1067-Y1108 AromaticContact NE1-CD1 3.65Å; W1067-Y1108 PolarHBondContact NE1-O 2.82Å; W1067-L1110 HydrophobicContact CB-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CB 3.84Å; W1067-L1110 HydrophobicContact CD2-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CG 4.47Å; W1067-L1110 HydrophobicContact CE3-CB 4.48Å; W1067-L1110 HydrophobicContact CE3-CD1 4.08Å; W1067-L1110 HydrophobicContact CG-CB 4.03Å; W1067-L1110 HydrophobicContact CG-CD1 3.69Å; W1067-L1110 HydrophobicContact CZ2-CB 4.06Å; W1067-F1123 HydrophobicContact CE3-CB 4.48Å; W1067-F1123 HydrophobicContact CZ3-CB 4.12Å; W1067-Y1124 WeakPolarHBondContact CA-O 3.31Å; W1067-Y1124 VanDerWaalsContact CE3-O 3.24Å; W1067-C1125 HydrophobicContact CD2-CB 4.48Å; W1067-C1125 HydrophobicContact CE3-CB 4.28Å; W1067-C1125 HydrophobicContact CH2-CB 4.18Å; W1067-C1125 HydrophobicContact CZ2-CB 4.4Å; W1067-C1125 HydrophobicContact CZ3-CB 4.11Å
1068H89.1Confident80.6Confident107 Ų10769.3 Ų69.350%0.49536%0.362SS..EExtended strand (participates in β ladder)trans-120.6150.7165.6-58.5-27.3000108.8Y1124H1068-Y1124 HydrophobicContact CB-CD2 4.37Å; H1068-Y1124 PolarHBondContact N-O 3.32Å; H1068-Y1124 PolarHBondContact O-N 2.76Å; H1068-Y1124 VanDerWaalsContact O-O 3.13Å
1069Y89.8Confident81Confident63 Ų6372.7 Ų72.725%0.24738%0.378CS..EExtended strand (participates in β ladder)trans-155.5150.3-177.440.7-93.3000111.4S1071 Y1076 L1110 T1122 F1123Y1069-S1071 WeakPolarHBondContact CD2-O 3.31Å; Y1069-Y1076 HydrophobicContact CD1-CD2 4.11Å; Y1069-Y1076 HydrophobicContact CD1-CE2 4.5Å; Y1069-Y1076 AromaticContact CD2-CD2 3.98Å; Y1069-Y1076 HydrophobicContact CD2-CD2 3.98Å; Y1069-Y1076 AromaticContact CD2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CD2-CE2 3.65Å; Y1069-Y1076 AromaticContact CE1-CD2 3.91Å; Y1069-Y1076 HydrophobicContact CE1-CD2 3.91Å; Y1069-Y1076 AromaticContact CE2-CD2 3.74Å; Y1069-Y1076 HydrophobicContact CE2-CD2 3.74Å; Y1069-Y1076 AromaticContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CG-CD2 4.16Å; Y1069-Y1076 HydrophobicContact CG-CE2 4.08Å; Y1069-Y1076 AromaticContact CZ-CD2 3.71Å; Y1069-L1110 HydrophobicContact CD1-CD1 4.02Å; Y1069-L1110 HydrophobicContact CE1-CD1 4.14Å; Y1069-T1122 CarbonylContact C-O 3.45Å; Y1069-T1122 VanDerWaalsContact CA-O 3.27Å; Y1069-T1122 WeakPolarHBondContact CA-O 3.38Å; Y1069-F1123 HydrophobicContact CD1-CD1 4.43Å; Y1069-F1123 HydrophobicContact CG-CD1 4.29Å; Y1069-F1123 HydrophobicContact CG-CE1 4.25Å
1070T85.2Confident81.7Confident80 Ų8074.8 Ų74.849%0.49138%0.381SS..SBendtrans-86.7-13-177.966.40000114.2S1072 G1121 T1122 Y1124T1070-S1072 PolarHBondContact O-N 3.24Å; T1070-G1121 WeakPolarHBondContact OG1-CA 3.38Å; T1070-T1122 PolarHBondContact N-O 3.35Å; T1070-T1122 PolarHBondContact OG1-N 2.87Å; T1070-Y1124 HydrophobicContact CG2-CE2 3.99Å
1071S74.6Confident82.1Confident7 Ų771.6 Ų71.65%0.04937%0.367CS..  trans-75.9117.5174.1170.70000110Y1069 Y1073 Y1076 E1118 D1119Y1069-S1071 WeakPolarHBondContact CD2-O 3.31Å; S1071-Y1073 VanDerWaalsContact C-N 3.28Å; S1071-Y1073 PolarHBondContact OG-N 2.86Å; S1071-Y1076 PolarHBondContact OG-OH 3.08Å; S1071-Y1076 VanDerWaalsContact OG-OH 3.1Å; S1071-E1118 PolarHBondContact OG-O 3.44Å; S1071-D1119 WeakPolarHBondContact OG-CA 3.35Å
1072S57.4Low82.3Confident126 Ų12671.4 Ų71.488%0.88137%0.366SS*.  trans-85.75.6175.254.40000113.8T1070T1070-S1072 PolarHBondContact O-N 3.24Å
1073Y69.9Low82.3Confident98 Ų9866.3 Ų66.338%0.38435%0.345SS..SBendtrans-68.5-41.3-168.2-178.3-118000113.8S1071 R1116 E1118 D1119S1071-Y1073 VanDerWaalsContact C-N 3.28Å; S1071-Y1073 PolarHBondContact OG-N 2.86Å; Y1073-R1116 PolarHBondContact OH-NH1 2.86Å; Y1073-E1118 HydrophobicContact CD1-CB 4.07Å; Y1073-E1118 HydrophobicContact CD2-CB 3.59Å; Y1073-E1118 HydrophobicContact CD2-CG 4.12Å; Y1073-E1118 HydrophobicContact CE2-CB 4.12Å; Y1073-E1118 HydrophobicContact CE2-CG 4.3Å; Y1073-E1118 HydrophobicContact CG-CB 3.57Å; Y1073-D1119 WeakPolarHBondContact CD1-OD1 3.36Å
1074R80Confident82Confident78 Ų7868.7 Ų68.729%0.29436%0.356SS..  trans-162.7163.3179.257.1-173.2163.1159.6-4.2111.2Y1076 Y1113 M1114 D1119R1074-Y1076 HydrophobicContact CG-CD1 4.34Å; R1074-Y1076 HydrophobicContact CG-CE1 3.75Å; R1074-Y1076 WeakPolarHBondContact O-CE2 3.3Å; R1074-Y1113 VanDerWaalsContact CZ-O 3.27Å; R1074-Y1113 PolarHBondContact NH1-O 2.92Å; R1074-Y1113 PolarHBondContact NH2-O 3.03Å; R1074-M1114 PolarHBondContact NH2-O 3.11Å; R1074-D1119 IonicContact CZ-OD1 3.8Å; R1074-D1119 VanDerWaalsContact CZ-OD1 3.29Å; R1074-D1119 IonicContact CZ-OD2 2.72Å; R1074-D1119 IonicContact NE-OD1 3.97Å; R1074-D1119 PolarHBondContact NE-OD1 2.91Å; R1074-D1119 IonicContact NE-OD2 2.78Å; R1074-D1119 IonicContact NH2-OD1 3.18Å; R1074-D1119 PolarHBondContact NH2-OD1 3.3Å; R1074-D1119 IonicContact NH2-OD2 2.82Å; R1074-D1119 PolarHBondContact NH2-OD2 3.39Å
1075Q77.1Confident80.8Confident172 Ų17263.6 Ų63.680%0.80433%0.333SS*.  trans-78.6143.9166-66.8-177.1-6.300110.4
1076Y87.3Confident79.2Confident7 Ų767.2 Ų67.23%0.02735%0.353CS..  trans-105.9130.6179.6-54.3-72.7000110.7Y1069 S1071 R1074 Q1078 L1110 V1112 D1119 F1123Y1069-Y1076 HydrophobicContact CD1-CD2 4.11Å; Y1069-Y1076 HydrophobicContact CD1-CE2 4.5Å; Y1069-Y1076 AromaticContact CD2-CD2 3.98Å; Y1069-Y1076 HydrophobicContact CD2-CD2 3.98Å; Y1069-Y1076 AromaticContact CD2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CD2-CE2 3.65Å; Y1069-Y1076 AromaticContact CE1-CD2 3.91Å; Y1069-Y1076 HydrophobicContact CE1-CD2 3.91Å; Y1069-Y1076 AromaticContact CE2-CD2 3.74Å; Y1069-Y1076 HydrophobicContact CE2-CD2 3.74Å; Y1069-Y1076 AromaticContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CE2-CE2 3.65Å; Y1069-Y1076 HydrophobicContact CG-CD2 4.16Å; Y1069-Y1076 HydrophobicContact CG-CE2 4.08Å; Y1069-Y1076 AromaticContact CZ-CD2 3.71Å; S1071-Y1076 PolarHBondContact OG-OH 3.08Å; S1071-Y1076 VanDerWaalsContact OG-OH 3.1Å; R1074-Y1076 HydrophobicContact CG-CD1 4.34Å; R1074-Y1076 HydrophobicContact CG-CE1 3.75Å; R1074-Y1076 WeakPolarHBondContact O-CE2 3.3Å; Y1076-Q1078 PolarHBondContact O-NE2 2.89Å; Y1076-L1110 HydrophobicContact CD2-CD1 4.24Å; Y1076-L1110 HydrophobicContact CD2-CD2 4.36Å; Y1076-L1110 HydrophobicContact CG-CD1 4.39Å; Y1076-L1110 HydrophobicContact CG-CD2 4Å; Y1076-L1110 HydrophobicContact CG-CG 4.33Å; Y1076-V1112 HydrophobicContact CD1-CB 4.28Å; Y1076-V1112 HydrophobicContact CD1-CG1 4.35Å; Y1076-V1112 HydrophobicContact CD1-CG2 3.81Å; Y1076-V1112 HydrophobicContact CE1-CB 4.35Å; Y1076-V1112 HydrophobicContact CE1-CG1 3.96Å; Y1076-V1112 HydrophobicContact CE1-CG2 3.92Å; Y1076-V1112 HydrophobicContact CG-CG2 4.36Å; Y1076-D1119 HydrophobicContact CE1-CB 4.44Å; Y1076-D1119 WeakPolarHBondContact CE1-OD1 3.21Å; Y1076-D1119 PolarHBondContact OH-OD1 3.43Å; Y1076-D1119 VanDerWaalsContact OH-OD1 3.08Å; Y1076-F1123 AromaticContact CD2-CE1 3.88Å; Y1076-F1123 HydrophobicContact CD2-CE1 3.88Å; Y1076-F1123 AromaticContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CZ 4Å
1077P85.4Confident77.4Confident66 Ų6668.2 Ų68.243%0.42935%0.351SS..  trans-65.2136.2178.824.5-32.6000111.2T1111 Y1113P1077-T1111 WeakPolarHBondContact CD-O 3.45Å; P1077-T1111 PolarHBondContact O-N 3.47Å; P1077-T1111 VanDerWaalsContact O-N 3.1Å; P1077-Y1113 HydrophobicContact CG-CD2 3.96Å; P1077-Y1113 HydrophobicContact CG-CE2 3.63Å
1078Q90Very high75Confident66 Ų6670.5 Ų70.531%0.30836%0.364SS..EExtended strand (participates in β ladder)trans-127.4142.8-174.2-68.3152.563.800111.2W1067 Y1076 Y1108 R1109 L1110W1067-Q1078 HydrophobicContact CG-CG 4.5Å; Y1076-Q1078 PolarHBondContact O-NE2 2.89Å; Q1078-Y1108 HydrophobicContact CB-CE1 3.95Å; Q1078-Y1108 HydrophobicContact CB-CE2 4.26Å; Q1078-Y1108 WeakPolarHBondContact CB-OH 3.48Å; Q1078-Y1108 HydrophobicContact CG-CE1 4.3Å; Q1078-Y1108 PolarHBondContact OE1-OH 3.07Å; Q1078-R1109 CarbonylContact C-O 3.44Å; Q1078-R1109 WeakPolarHBondContact CA-O 3.16Å; Q1078-L1110 HydrophobicContact CG-CB 4.12Å; Q1078-L1110 HydrophobicContact CG-CD1 4.37Å; Q1078-L1110 HydrophobicContact CG-CG 4.29Å
1079H89.5Confident72.7Confident79 Ų7968.4 Ų68.437%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-160.7156.1178.756.8-68.6000112.1V1081 R1109H1079-V1081 WeakPolarHBondContact CD2-CG1 3.45Å; H1079-V1081 WeakPolarHBondContact NE2-CG1 3.3Å; H1079-R1109 PolarHBondContact N-O 3.45Å; H1079-R1109 PolarHBondContact O-N 3.39Å
1080W89.8Confident70.3Confident76 Ų7668 Ų6829%0.28835%0.351SS..EExtended strand (participates in β ladder)trans-71.5139.6169.7-76115.3000111.9Y1058 M1060 Q1064 P1065 Y1108Y1058-W1080 HydrophobicContact CD1-CH2 4.34Å; Y1058-W1080 WeakPolarHBondContact O-CZ3 3.4Å; M1060-W1080 HydrophobicContact CB-CH2 4.4Å; M1060-W1080 HydrophobicContact CB-CZ2 4.46Å; M1060-W1080 HydrophobicContact CG-CD2 3.49Å; M1060-W1080 VanDerWaalsContact CG-CD2 3.49Å; M1060-W1080 HydrophobicContact CG-CE3 3.42Å; M1060-W1080 VanDerWaalsContact CG-CE3 3.42Å; M1060-W1080 HydrophobicContact CG-CG 4.12Å; M1060-W1080 HydrophobicContact CG-CH2 3.74Å; M1060-W1080 HydrophobicContact CG-CZ2 3.79Å; M1060-W1080 HydrophobicContact CG-CZ3 3.57Å; M1060-W1080 HydrophobicContact SD-CB 4.04Å; M1060-W1080 HydrophobicContact SD-CD2 3.94Å; M1060-W1080 HydrophobicContact SD-CE3 4.12Å; M1060-W1080 HydrophobicContact SD-CG 3.93Å; Q1064-W1080 HydrophobicContact CB-CZ2 4.3Å; Q1064-W1080 HydrophobicContact CG-CZ2 4.45Å; P1065-W1080 HydrophobicContact CG-CH2 4.46Å; W1080-Y1108 AromaticContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CE3-CD2 4.37Å; W1080-Y1108 HydrophobicContact CG-CD2 4.14Å
1081V87.5Confident68.2Low20 Ų2072.9 Ų72.912%0.12136%0.361CS..EExtended strand (participates in β ladder)trans-145.9154.9178.5-63.50000110.8H1079 V1083 A1107 R1109H1079-V1081 WeakPolarHBondContact CD2-CG1 3.45Å; H1079-V1081 WeakPolarHBondContact NE2-CG1 3.3Å; V1081-V1083 HydrophobicContact CG2-CG2 3.91Å; V1081-A1107 HydrophobicContact CG2-CB 4.11Å; V1081-A1107 WeakPolarHBondContact CG2-O 3.39Å; V1081-A1107 PolarHBondContact N-O 2.9Å; V1081-A1107 PolarHBondContact O-N 3.5Å; V1081-R1109 HydrophobicContact CG1-CB 4.16Å; V1081-R1109 HydrophobicContact CG2-CB 3.68Å
1082N81.2Confident66.4Low118 Ų11878.6 Ų78.663%0.63139%0.391SS*.EExtended strand (participates in β ladder)trans-93.4132.2167.3-66.7-14.4000109.3
1083V72.1Confident65.1Low18 Ų1876.4 Ų76.411%0.10938%0.376CS..EExtended strand (participates in β ladder)trans-123.9119.5-178.7-177.90000108.8D1055 L1057 V1081 V1085 L1105 A1107D1055-V1083 HydrophobicContact CB-CG2 4.19Å; L1057-V1083 HydrophobicContact CD2-CB 4.36Å; L1057-V1083 HydrophobicContact CD2-CG1 4.48Å; V1081-V1083 HydrophobicContact CG2-CG2 3.91Å; V1083-V1085 HydrophobicContact CG1-CG2 4.15Å; V1083-V1085 PolarHBondContact O-N 3.42Å; V1083-L1105 PolarHBondContact N-O 3.25Å; V1083-L1105 PolarHBondContact O-N 2.91Å; V1083-A1107 HydrophobicContact CB-CB 4.44Å; V1083-A1107 HydrophobicContact CG2-CB 3.65Å
1084S67.4Low63.3Low83 Ų8381.7 Ų81.758%0.5840%0.403SS*.EExtended strand (participates in β ladder)trans-72.9109.5170.355.50000109.5
1085V58.7Low61Low14 Ų1482.6 Ų82.69%0.08543%0.428CS..EExtended strand (participates in β ladder)trans-98.2129175.3-1780000109L1057 V1083 M1087 I1103 L1105L1057-V1085 HydrophobicContact CD1-CG2 4.05Å; L1057-V1085 HydrophobicContact CD2-CG2 3.96Å; V1083-V1085 HydrophobicContact CG1-CG2 4.15Å; V1083-V1085 PolarHBondContact O-N 3.42Å; V1085-M1087 HydrophobicContact CG1-SD 4Å; V1085-M1087 PolarHBondContact O-N 3.45Å; V1085-I1103 PolarHBondContact N-O 2.83Å; V1085-I1103 PolarHBondContact O-N 3.07Å; V1085-L1105 HydrophobicContact CB-CD1 4.21Å; V1085-L1105 HydrophobicContact CG2-CD1 3.98Å; V1085-L1105 HydrophobicContact CG2-CG 4.48Å
1086D51.7Low58.6Low77 Ų7779.5 Ų79.541%0.41243%0.425SS..  trans-80.4100.7179.2-176.46.7000110.1D1088D1086-D1088 PolarHBondContact OD1-N 2.05Å
1087M50.3Low55.9Low65 Ų6587.8 Ų87.832%0.3247%0.466SS..G310 helixtrans-85.1-3.2-175.9-63.9-61.9-6500113.9V1085 R1089 F1090 I1103V1085-M1087 HydrophobicContact CG1-SD 4Å; V1085-M1087 PolarHBondContact O-N 3.45Å; M1087-R1089 PolarHBondContact O-N 3.34Å; M1087-F1090 HydrophobicContact CB-CD2 4.36Å; M1087-F1090 HydrophobicContact CE-CB 4.21Å; M1087-F1090 HydrophobicContact CE-CD1 3.91Å; M1087-F1090 HydrophobicContact CE-CD2 3.51Å; M1087-F1090 HydrophobicContact CE-CE1 4.09Å; M1087-F1090 HydrophobicContact CE-CE2 3.71Å; M1087-F1090 HydrophobicContact CE-CG 3.61Å; M1087-F1090 HydrophobicContact CE-CZ 3.99Å; M1087-F1090 PolarHBondContact O-N 3Å; M1087-F1090 HydrophobicContact SD-CD2 3.74Å; M1087-F1090 HydrophobicContact SD-CE2 3.51Å; M1087-F1090 VanDerWaalsContact SD-CE2 3.51Å; M1087-F1090 HydrophobicContact SD-CG 4.45Å; M1087-F1090 HydrophobicContact SD-CZ 4.05Å; M1087-I1103 HydrophobicContact CG-CB 4.22Å; M1087-I1103 HydrophobicContact CG-CD1 3.88Å; M1087-I1103 HydrophobicContact CG-CG1 3.89Å
1088D41.6Very low53.4Low60 Ų6093 Ų9332%0.32149%0.489SS..G310 helixtrans-62-11.1177.4-98.3-27.4000112.9D1086 R1091D1086-D1088 PolarHBondContact OD1-N 2.05Å; D1088-R1091 IonicContact OD1-NH1 2.84Å; D1088-R1091 PolarHBondContact OD1-NH1 3.01Å
1089R39.7Very low50.7Low63 Ų6395.6 Ų95.624%0.23851%0.51CS..G310 helixtrans-87.81.3174.3-57.5-167.8-171.6-163.910.7115.3Q821 H960 H990 M1087Q821-R1089 VanDerWaalsContact OE1-CZ 3.24Å; H960-R1089 PolarHBondContact CE1-O 3.47Å; H960-R1089 PolarHBondContact NE2-O 2.9Å; H990-R1089 PolarHBondContact CE1-NH1 3.45Å; H990-R1089 WeakPolarHBondContact NE2-CD 3.49Å; H990-R1089 PolarHBondContact NE2-NE 2.69Å; H990-R1089 PolarHBondContact NE2-NH1 3.25Å; M1087-R1089 PolarHBondContact O-N 3.34Å
1090F41.1Very low48.2Very low54 Ų5494.3 Ų94.324%0.23752%0.517CS..SBendtrans-103.217.7-179.9-68.7-104.7000112.3L993 F994 P1020 M1087L993-F1090 HydrophobicContact CB-CZ 4.19Å; L993-F1090 HydrophobicContact CD1-CZ 4.25Å; L993-F1090 HydrophobicContact CD2-CZ 4.37Å; F994-F1090 HydrophobicContact CE1-CD1 4.15Å; F994-F1090 HydrophobicContact CE1-CE1 4.19Å; F994-F1090 AromaticContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE1 3.97Å; F994-F1090 HydrophobicContact CE2-CE2 4.45Å; F994-F1090 AromaticContact CE2-CZ 3.92Å; F994-F1090 HydrophobicContact CE2-CZ 3.92Å; F994-F1090 AromaticContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD1 3.78Å; F994-F1090 HydrophobicContact CZ-CD2 4.42Å; F994-F1090 AromaticContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE1 3.62Å; F994-F1090 HydrophobicContact CZ-CE2 4.3Å; F994-F1090 HydrophobicContact CZ-CG 4.19Å; F994-F1090 AromaticContact CZ-CZ 3.91Å; F994-F1090 HydrophobicContact CZ-CZ 3.91Å; P1020-F1090 HydrophobicContact CB-CD1 4.03Å; P1020-F1090 HydrophobicContact CB-CE1 4.13Å; P1020-F1090 HydrophobicContact CG-CD1 4.04Å; M1087-F1090 HydrophobicContact CB-CD2 4.36Å; M1087-F1090 HydrophobicContact CE-CB 4.21Å; M1087-F1090 HydrophobicContact CE-CD1 3.91Å; M1087-F1090 HydrophobicContact CE-CD2 3.51Å; M1087-F1090 HydrophobicContact CE-CE1 4.09Å; M1087-F1090 HydrophobicContact CE-CE2 3.71Å; M1087-F1090 HydrophobicContact CE-CG 3.61Å; M1087-F1090 HydrophobicContact CE-CZ 3.99Å; M1087-F1090 PolarHBondContact O-N 3Å; M1087-F1090 HydrophobicContact SD-CD2 3.74Å; M1087-F1090 HydrophobicContact SD-CE2 3.51Å; M1087-F1090 VanDerWaalsContact SD-CE2 3.51Å; M1087-F1090 HydrophobicContact SD-CG 4.45Å; M1087-F1090 HydrophobicContact SD-CZ 4.05Å
1091R41.2Very low45.9Very low184 Ų18496 Ų9669%0.69453%0.532SS*.  trans-87.2-10.3-159-158.7163.7179160.3-4.4115.1D1088 S1093D1088-R1091 IonicContact OD1-NH1 2.84Å; D1088-R1091 PolarHBondContact OD1-NH1 3.01Å; R1091-S1093 VanDerWaalsContact C-N 3.3Å; R1091-S1093 PolarHBondContact O-N 2.83Å; R1091-S1093 VanDerWaalsContact O-N 3.13Å
1092D34.9Very low44.1Very low127 Ų12798.6 Ų98.668%0.67955%0.55SS*.SBendtrans-91.239.1-166.6-64-5.9000113.7H960H960-D1092 IonicContact NE2-OD2 3.47Å
1093S30.3Very low43Very low80 Ų8097.1 Ų97.156%0.55954%0.541SS*.SBendtrans-158.9100166.265.70000114.5R1091 A1095R1091-S1093 VanDerWaalsContact C-N 3.3Å; R1091-S1093 PolarHBondContact O-N 2.83Å; R1091-S1093 VanDerWaalsContact O-N 3.13Å; S1093-A1095 VanDerWaalsContact C-N 3.26Å; S1093-A1095 PolarHBondContact O-N 2.83Å
1094H33.2Very low42.7Very low209 Ų209101.2 Ų101.297%0.96857%0.566SS**SBendtrans51.10.8148-92-93.8000122.4
1095A30.5Very low42.9Very low97 Ų97100.2 Ų100.280%0.80255%0.554SS**  trans-97.8119.9177.800000112S1093S1093-A1095 VanDerWaalsContact C-N 3.26Å; S1093-A1095 PolarHBondContact O-N 2.83Å
1096S28.4Very low43.9Very low106 Ų106100.9 Ų100.974%0.74156%0.559SS**  trans-90167.2174.755.70000112.3
1097M28.8Very low45.5Very low182 Ų18297.2 Ų97.290%0.89754%0.539SS*.  trans58.987.7169.9-63.5-176.1167.600117.4
1098L33.2Very low47.5Very low176 Ų17695.2 Ų95.292%0.92153%0.528SS*.  trans-166.3158.6134.9-103.6165.7000109.4
1099T34.2Very low50Low120 Ų12093.2 Ų93.274%0.73652%0.516SS*.  trans-88.4141.3-165.246.90000114.4N1101T1099-N1101 PolarHBondContact O-N 3.26Å
1100G36.8Very low52.5Low51 Ų5190.2 Ų90.253%0.52651%0.505SS..  trans-74.377-169.700000115.7
1101N42.1Very low54.9Low111 Ų11187.7 Ų87.759%0.59449%0.494SS*.  trans-120.1146.8166.7-75-39.8000110.4T1099 I1103T1099-N1101 PolarHBondContact O-N 3.26Å; N1101-I1103 PolarHBondContact O-N 2.78Å
1102P49.9Very low57.2Low76 Ų7679 Ų7949%0.49446%0.462SS..  trans-66.3127.7177.828.1-34.4000110.5T1104P1102-T1104 PolarHBondContact O-N 3.17Å
1103I58.2Low59.7Low86 Ų8678.5 Ų78.544%0.44145%0.451SS..EExtended strand (participates in β ladder)trans-78.5122.6-176.4-54.7-172.5000109.1V1085 M1087 N1101 L1105V1085-I1103 PolarHBondContact N-O 2.83Å; V1085-I1103 PolarHBondContact O-N 3.07Å; M1087-I1103 HydrophobicContact CG-CB 4.22Å; M1087-I1103 HydrophobicContact CG-CD1 3.88Å; M1087-I1103 HydrophobicContact CG-CG1 3.89Å; N1101-I1103 PolarHBondContact O-N 2.78Å; I1103-L1105 HydrophobicContact CG2-CD2 3.75Å; I1103-L1105 HydrophobicContact CG2-CG 4.11Å; I1103-L1105 PolarHBondContact O-N 2.87Å
1104T65.3Low62.1Low104 Ų10480 Ų8064%0.63845%0.45SS*.EExtended strand (participates in β ladder)trans-78.1104.3170.350.10000109.8P1102P1102-T1104 PolarHBondContact O-N 3.17Å
1105L70.6Confident64.3Low63 Ų6370.1 Ų70.133%0.3341%0.405SS..EExtended strand (participates in β ladder)trans-96.6148.6175.8-64.4177.9000110.8L1057 V1083 V1085 I1103L1057-L1105 HydrophobicContact CD1-CD1 4.26Å; L1057-L1105 HydrophobicContact CD2-CB 4.43Å; V1083-L1105 PolarHBondContact N-O 3.25Å; V1083-L1105 PolarHBondContact O-N 2.91Å; V1085-L1105 HydrophobicContact CB-CD1 4.21Å; V1085-L1105 HydrophobicContact CG2-CD1 3.98Å; V1085-L1105 HydrophobicContact CG2-CG 4.48Å; I1103-L1105 HydrophobicContact CG2-CD2 3.75Å; I1103-L1105 HydrophobicContact CG2-CG 4.11Å; I1103-L1105 PolarHBondContact O-N 2.87Å
1106S81.2Confident66.6Low27 Ų2770.8 Ų70.819%0.18939%0.386CS..EExtended strand (participates in β ladder)trans-69.8140.2167.4-63.30000110.3Y1058 M1060Y1058-S1106 PolarHBondContact N-O 2.83Å; Y1058-S1106 CarbonylContact O-C 3.54Å; Y1058-S1106 WeakPolarHBondContact O-CB 3.47Å; Y1058-S1106 VanDerWaalsContact O-O 3.04Å; M1060-S1106 WeakPolarHBondContact CE-OG 3.24Å
1107A85.4Confident69.1Low0 Ų067.7 Ų67.70%036%0.364CS..EExtended strand (participates in β ladder)trans-143.8142.8173.300000112.1D1055 C1056 L1057 V1081 V1083D1055-A1107 HydrophobicContact CB-CB 4.16Å; C1056-A1107 CarbonylContact O-C 3.57Å; C1056-A1107 WeakPolarHBondContact O-CA 3.49Å; C1056-A1107 WeakPolarHBondContact O-CB 3.2Å; L1057-A1107 HydrophobicContact CD2-CB 4.01Å; V1081-A1107 HydrophobicContact CG2-CB 4.11Å; V1081-A1107 WeakPolarHBondContact CG2-O 3.39Å; V1081-A1107 PolarHBondContact N-O 2.9Å; V1081-A1107 PolarHBondContact O-N 3.5Å; V1083-A1107 HydrophobicContact CB-CB 4.44Å; V1083-A1107 HydrophobicContact CG2-CB 3.65Å
1108Y91.5Very high71.6Confident23 Ų2363.8 Ų63.89%0.0934%0.344CS..EExtended strand (participates in β ladder)trans-96.1101.2173-169.1-119000108.9C1056 Q1064 P1065 W1067 Q1078 W1080C1056-Y1108 WeakPolarHBondContact CB-O 3.33Å; C1056-Y1108 PolarHBondContact N-O 2.86Å; C1056-Y1108 VanDerWaalsContact N-O 3.16Å; C1056-Y1108 PolarHBondContact O-N 3.34Å; Q1064-Y1108 HydrophobicContact CG-CD2 4.41Å; Q1064-Y1108 HydrophobicContact CG-CE1 4.46Å; Q1064-Y1108 HydrophobicContact CG-CE2 4.12Å; Q1064-Y1108 VanDerWaalsContact NE2-CZ 3.28Å; Q1064-Y1108 PolarHBondContact NE2-OH 2.69Å; P1065-Y1108 HydrophobicContact CG-CD1 4.07Å; P1065-Y1108 HydrophobicContact CG-CG 4.1Å; P1065-Y1108 WeakPolarHBondContact O-CD1 3.44Å; P1065-Y1108 VanDerWaalsContact O-CE1 3.27Å; P1065-Y1108 WeakPolarHBondContact O-CE1 3.44Å; W1067-Y1108 AromaticContact CD1-CD1 3.48Å; W1067-Y1108 VanDerWaalsContact CD1-CD1 3.48Å; W1067-Y1108 AromaticContact CD1-CE1 3.63Å; W1067-Y1108 AromaticContact NE1-CD1 3.65Å; W1067-Y1108 PolarHBondContact NE1-O 2.82Å; Q1078-Y1108 HydrophobicContact CB-CE1 3.95Å; Q1078-Y1108 HydrophobicContact CB-CE2 4.26Å; Q1078-Y1108 WeakPolarHBondContact CB-OH 3.48Å; Q1078-Y1108 HydrophobicContact CG-CE1 4.3Å; Q1078-Y1108 PolarHBondContact OE1-OH 3.07Å; W1080-Y1108 AromaticContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CD2-CD2 3.93Å; W1080-Y1108 HydrophobicContact CE3-CD2 4.37Å; W1080-Y1108 HydrophobicContact CG-CD2 4.14Å
1109R92.8Very high74.1Confident19 Ų1955.4 Ų55.47%0.07230%0.3CS..EExtended strand (participates in β ladder)trans-85130.9-171.7167.6175.4-74.4146.111.4111.7Q1053 L1054 D1055 Q1078 H1079 V1081Q1053-R1109 HydrophobicContact CB-CG 4.39Å; Q1053-R1109 HydrophobicContact CG-CG 4.45Å; L1054-R1109 CarbonylContact O-C 3.6Å; L1054-R1109 WeakPolarHBondContact O-CA 3.45Å; D1055-R1109 VanDerWaalsContact CG-NH2 3.29Å; D1055-R1109 WeakPolarHBondContact OD1-CB 3.07Å; D1055-R1109 WeakPolarHBondContact OD1-CG 3.34Å; D1055-R1109 IonicContact OD1-CZ 4Å; D1055-R1109 VanDerWaalsContact OD1-CZ 3.3Å; D1055-R1109 IonicContact OD1-NE 2.88Å; D1055-R1109 PolarHBondContact OD1-NE 2.02Å; D1055-R1109 IonicContact OD1-NH2 3.87Å; D1055-R1109 PolarHBondContact OD1-NH2 3.38Å; D1055-R1109 VanDerWaalsContact OD1-NH2 3.13Å; D1055-R1109 IonicContact OD2-CZ 3.91Å; D1055-R1109 IonicContact OD2-NE 3.79Å; D1055-R1109 IonicContact OD2-NH2 3.14Å; D1055-R1109 PolarHBondContact OD2-NH2 3.4Å; Q1078-R1109 CarbonylContact C-O 3.44Å; Q1078-R1109 WeakPolarHBondContact CA-O 3.16Å; H1079-R1109 PolarHBondContact N-O 3.45Å; H1079-R1109 PolarHBondContact O-N 3.39Å; V1081-R1109 HydrophobicContact CG1-CB 4.16Å; V1081-R1109 HydrophobicContact CG2-CB 3.68Å
1110L93.4Very high76.5Confident0 Ų051.6 Ų51.60%028%0.278CS..EExtended strand (participates in β ladder)trans-102137.4162.8180152000109.3Q1053 L1054 W1067 Y1069 Y1076 Q1078 V1112 F1123Q1053-L1110 WeakPolarHBondContact CA-O 3.26Å; L1054-L1110 HydrophobicContact CD1-CD2 4.49Å; L1054-L1110 PolarHBondContact N-O 2.81Å; L1054-L1110 PolarHBondContact O-N 3.26Å; W1067-L1110 HydrophobicContact CB-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CB 3.84Å; W1067-L1110 HydrophobicContact CD2-CD1 3.8Å; W1067-L1110 HydrophobicContact CD2-CG 4.47Å; W1067-L1110 HydrophobicContact CE3-CB 4.48Å; W1067-L1110 HydrophobicContact CE3-CD1 4.08Å; W1067-L1110 HydrophobicContact CG-CB 4.03Å; W1067-L1110 HydrophobicContact CG-CD1 3.69Å; W1067-L1110 HydrophobicContact CZ2-CB 4.06Å; Y1069-L1110 HydrophobicContact CD1-CD1 4.02Å; Y1069-L1110 HydrophobicContact CE1-CD1 4.14Å; Y1076-L1110 HydrophobicContact CD2-CD1 4.24Å; Y1076-L1110 HydrophobicContact CD2-CD2 4.36Å; Y1076-L1110 HydrophobicContact CG-CD1 4.39Å; Y1076-L1110 HydrophobicContact CG-CD2 4Å; Y1076-L1110 HydrophobicContact CG-CG 4.33Å; Q1078-L1110 HydrophobicContact CG-CB 4.12Å; Q1078-L1110 HydrophobicContact CG-CD1 4.37Å; Q1078-L1110 HydrophobicContact CG-CG 4.29Å; L1110-V1112 HydrophobicContact CD2-CG2 3.77Å; L1110-F1123 HydrophobicContact CD1-CD1 4.14Å; L1110-F1123 HydrophobicContact CD1-CE1 4.36Å; L1110-F1123 HydrophobicContact CD2-CD1 4.02Å; L1110-F1123 HydrophobicContact CD2-CE1 3.84Å
1111T91.4Very high78.9Confident1 Ų149.8 Ų49.81%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-120.7121.1178.3-51.70000112.6T1051 L1052 Q1053 P1077 Y1113T1051-T1111 HydrophobicContact CG2-CG2 3.93Å; L1052-T1111 WeakPolarHBondContact O-CA 3.38Å; Q1053-T1111 HydrophobicContact CG-CG2 3.79Å; P1077-T1111 WeakPolarHBondContact CD-O 3.45Å; P1077-T1111 PolarHBondContact O-N 3.47Å; P1077-T1111 VanDerWaalsContact O-N 3.1Å; T1111-Y1113 HydrophobicContact CG2-CD1 3.92Å; T1111-Y1113 HydrophobicContact CG2-CD2 3.95Å; T1111-Y1113 HydrophobicContact CG2-CE1 3.63Å; T1111-Y1113 HydrophobicContact CG2-CE2 3.68Å; T1111-Y1113 HydrophobicContact CG2-CG 4.07Å
1112V89.3Confident81.1Confident2 Ų245.9 Ų45.91%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-95.998.6171-175.80000108.3T1051 L1052 Y1076 L1110 A1115 D1119 F1123T1051-V1112 WeakPolarHBondContact CA-O 3.14Å; L1052-V1112 HydrophobicContact CB-CB 4.29Å; L1052-V1112 PolarHBondContact N-O 3.44Å; L1052-V1112 PolarHBondContact O-N 2.85Å; Y1076-V1112 HydrophobicContact CD1-CB 4.28Å; Y1076-V1112 HydrophobicContact CD1-CG1 4.35Å; Y1076-V1112 HydrophobicContact CD1-CG2 3.81Å; Y1076-V1112 HydrophobicContact CE1-CB 4.35Å; Y1076-V1112 HydrophobicContact CE1-CG1 3.96Å; Y1076-V1112 HydrophobicContact CE1-CG2 3.92Å; Y1076-V1112 HydrophobicContact CG-CG2 4.36Å; L1110-V1112 HydrophobicContact CD2-CG2 3.77Å; V1112-A1115 HydrophobicContact CG1-CB 4.27Å; V1112-D1119 HydrophobicContact CG1-CB 3.92Å; V1112-F1123 HydrophobicContact CG2-CE1 4.12Å; V1112-F1123 HydrophobicContact CG2-CZ 4.06Å
1113Y87.1Confident83.1Confident115 Ų11542.3 Ų42.345%0.45122%0.216SC..  trans-80.6130178.9-71.5-70.2000112T1051 R1074 P1077 T1111T1051-Y1113 HydrophobicContact CG2-CD1 3.51Å; T1051-Y1113 HydrophobicContact CG2-CE1 3.86Å; T1051-Y1113 HydrophobicContact CG2-CG 4.42Å; R1074-Y1113 VanDerWaalsContact CZ-O 3.27Å; R1074-Y1113 PolarHBondContact NH1-O 2.92Å; R1074-Y1113 PolarHBondContact NH2-O 3.03Å; P1077-Y1113 HydrophobicContact CG-CD2 3.96Å; P1077-Y1113 HydrophobicContact CG-CE2 3.63Å; T1111-Y1113 HydrophobicContact CG2-CD1 3.92Å; T1111-Y1113 HydrophobicContact CG2-CD2 3.95Å; T1111-Y1113 HydrophobicContact CG2-CE1 3.63Å; T1111-Y1113 HydrophobicContact CG2-CE2 3.68Å; T1111-Y1113 HydrophobicContact CG2-CG 4.07Å
1114M81.6Confident84.6Confident112 Ų11241.4 Ų41.455%0.55221%0.208SC*.SBendtrans51.461.7178.5-56.7175.673.400112.7S1050 T1051 R1074 R1116S1050-M1114 PolarHBondContact O-N 2.84Å; T1051-M1114 PolarHBondContact OG1-N 3.02Å; R1074-M1114 PolarHBondContact NH2-O 3.11Å; M1114-R1116 VanDerWaalsContact O-CG 3.3Å; M1114-R1116 WeakPolarHBondContact O-CG 3.44Å; M1114-R1116 PolarHBondContact O-N 3.13Å
1115A78.6Confident85.7Confident1 Ų136.5 Ų36.51%0.00818%0.177CC..  trans-47.9125-175.400000113.5V1046 R1048 S1049 S1050 V1112 D1119 I1139V1046-A1115 HydrophobicContact CG1-CB 4.09Å; R1048-A1115 CarbonylContact C-O 3.5Å; R1048-A1115 WeakPolarHBondContact CA-O 3.37Å; S1049-A1115 PolarHBondContact N-O 3.18Å; S1050-A1115 WeakPolarHBondContact O-CB 3.32Å; S1050-A1115 PolarHBondContact O-N 3.05Å; V1112-A1115 HydrophobicContact CG1-CB 4.27Å; A1115-D1119 WeakPolarHBondContact CA-OD2 3.14Å; A1115-I1139 HydrophobicContact CB-CD1 3.76Å; A1115-I1139 HydrophobicContact CB-CG1 4.03Å; A1115-I1139 HydrophobicContact CB-CG2 4.29Å
1116R79.8Confident86.5Confident111 Ų11134.5 Ų34.542%0.41917%0.168SC..  trans-114.7158.4178.6-46.3-171.8174.8-166.1-8.1109.7Y1073 M1114 E1118 D1119 I1139Y1073-R1116 PolarHBondContact OH-NH1 2.86Å; M1114-R1116 VanDerWaalsContact O-CG 3.3Å; M1114-R1116 WeakPolarHBondContact O-CG 3.44Å; M1114-R1116 PolarHBondContact O-N 3.13Å; R1116-E1118 WeakPolarHBondContact CB-OE2 3.19Å; R1116-E1118 PolarHBondContact O-N 3.34Å; R1116-D1119 PolarHBondContact N-OD2 2.91Å; R1116-D1119 PolarHBondContact O-N 2.92Å; R1116-I1139 VanDerWaalsContact O-CD1 3.24Å; R1116-I1139 WeakPolarHBondContact O-CD1 3.25Å; R1116-I1139 WeakPolarHBondContact O-CG2 3.47Å
1117P79.5Confident86.4Confident42 Ų4233.7 Ų33.727%0.27316%0.161SC..G310 helixtrans-51-31.6178.3-28.838000113.6D1119 S1120 V1141P1117-D1119 VanDerWaalsContact C-N 3.35Å; P1117-D1119 PolarHBondContact O-N 2.96Å; P1117-S1120 WeakPolarHBondContact O-CB 3.17Å; P1117-S1120 PolarHBondContact O-N 2.81Å; P1117-S1120 PolarHBondContact O-OG 2.91Å; P1117-V1141 HydrophobicContact CG-CG2 3.57Å
1118E81.2Confident86Confident100 Ų10037.5 Ų37.547%0.46719%0.188SC..G310 helixtrans-72.3-20-179.9-55.172.7-155.600114S1071 Y1073 R1116 S1120S1071-E1118 PolarHBondContact OG-O 3.44Å; Y1073-E1118 HydrophobicContact CD1-CB 4.07Å; Y1073-E1118 HydrophobicContact CD2-CB 3.59Å; Y1073-E1118 HydrophobicContact CD2-CG 4.12Å; Y1073-E1118 HydrophobicContact CE2-CB 4.12Å; Y1073-E1118 HydrophobicContact CE2-CG 4.3Å; Y1073-E1118 HydrophobicContact CG-CB 3.57Å; R1116-E1118 WeakPolarHBondContact CB-OE2 3.19Å; R1116-E1118 PolarHBondContact O-N 3.34Å; E1118-S1120 PolarHBondContact O-N 2.03Å
1119D86.5Confident85.2Confident0 Ų041.1 Ų41.10%021%0.212CC..G310 helixtrans-76.7-5.4171.6-51.9-66.4000112.2S1071 Y1073 R1074 Y1076 V1112 A1115 R1116 P1117 I1139S1071-D1119 WeakPolarHBondContact OG-CA 3.35Å; Y1073-D1119 WeakPolarHBondContact CD1-OD1 3.36Å; R1074-D1119 IonicContact CZ-OD1 3.8Å; R1074-D1119 VanDerWaalsContact CZ-OD1 3.29Å; R1074-D1119 IonicContact CZ-OD2 2.72Å; R1074-D1119 IonicContact NE-OD1 3.97Å; R1074-D1119 PolarHBondContact NE-OD1 2.91Å; R1074-D1119 IonicContact NE-OD2 2.78Å; R1074-D1119 IonicContact NH2-OD1 3.18Å; R1074-D1119 PolarHBondContact NH2-OD1 3.3Å; R1074-D1119 IonicContact NH2-OD2 2.82Å; R1074-D1119 PolarHBondContact NH2-OD2 3.39Å; Y1076-D1119 HydrophobicContact CE1-CB 4.44Å; Y1076-D1119 WeakPolarHBondContact CE1-OD1 3.21Å; Y1076-D1119 PolarHBondContact OH-OD1 3.43Å; Y1076-D1119 VanDerWaalsContact OH-OD1 3.08Å; V1112-D1119 HydrophobicContact CG1-CB 3.92Å; A1115-D1119 WeakPolarHBondContact CA-OD2 3.14Å; R1116-D1119 PolarHBondContact N-OD2 2.91Å; R1116-D1119 PolarHBondContact O-N 2.92Å; P1117-D1119 VanDerWaalsContact C-N 3.35Å; P1117-D1119 PolarHBondContact O-N 2.96Å; D1119-I1139 HydrophobicContact CB-CD1 3.56Å
1120S85.3Confident84.2Confident40 Ų4042.8 Ų42.828%0.2824%0.235SC..  trans-63.3138.5179.4-56.50000111.4P1117 E1118 V1137 I1139P1117-S1120 WeakPolarHBondContact O-CB 3.17Å; P1117-S1120 PolarHBondContact O-N 2.81Å; P1117-S1120 PolarHBondContact O-OG 2.91Å; E1118-S1120 PolarHBondContact O-N 2.03Å; S1120-V1137 WeakPolarHBondContact CA-O 3.34Å; S1120-I1139 PolarHBondContact OG-N 2.84Å
1121G86.7Confident83.2Confident12 Ų1247.1 Ų47.112%0.12425%0.251CS..EExtended strand (participates in β ladder)trans163178.6-177.600000113.4T1070 V1137T1070-G1121 WeakPolarHBondContact OG1-CA 3.38Å; G1121-V1137 PolarHBondContact N-O 3.22Å; G1121-V1137 PolarHBondContact O-N 3.31Å
1122T88.9Confident82.4Confident29 Ų2956.2 Ų56.218%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-88.1126.9170.9-50.90000109.2Y1069 T1070 Y1124 A1134 I1135Y1069-T1122 CarbonylContact C-O 3.45Å; Y1069-T1122 VanDerWaalsContact CA-O 3.27Å; Y1069-T1122 WeakPolarHBondContact CA-O 3.38Å; T1070-T1122 PolarHBondContact N-O 3.35Å; T1070-T1122 PolarHBondContact OG1-N 2.87Å; T1122-Y1124 HydrophobicContact CG2-CD1 4.31Å; T1122-Y1124 HydrophobicContact CG2-CD2 4.35Å; T1122-Y1124 HydrophobicContact CG2-CE1 3.73Å; T1122-Y1124 HydrophobicContact CG2-CE2 3.79Å; T1122-Y1124 VanDerWaalsContact CG2-CZ 3.43Å; T1122-A1134 HydrophobicContact CG2-CB 4Å; T1122-I1135 WeakPolarHBondContact CA-O 3.36Å
1123F91Very high81.8Confident1 Ų157.4 Ų57.40%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-104.1126.1173.6-69.9-104.1000108.5L1054 W1067 Y1069 Y1076 L1110 V1112 A1134 I1135 V1137L1054-F1123 HydrophobicContact CD1-CB 3.69Å; L1054-F1123 HydrophobicContact CD1-CD1 3.86Å; L1054-F1123 HydrophobicContact CD1-CD2 4.25Å; L1054-F1123 HydrophobicContact CD1-CG 3.67Å; W1067-F1123 HydrophobicContact CE3-CB 4.48Å; W1067-F1123 HydrophobicContact CZ3-CB 4.12Å; Y1069-F1123 HydrophobicContact CD1-CD1 4.43Å; Y1069-F1123 HydrophobicContact CG-CD1 4.29Å; Y1069-F1123 HydrophobicContact CG-CE1 4.25Å; Y1076-F1123 AromaticContact CD2-CE1 3.88Å; Y1076-F1123 HydrophobicContact CD2-CE1 3.88Å; Y1076-F1123 AromaticContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CE1 3.73Å; Y1076-F1123 HydrophobicContact CE2-CZ 4Å; L1110-F1123 HydrophobicContact CD1-CD1 4.14Å; L1110-F1123 HydrophobicContact CD1-CE1 4.36Å; L1110-F1123 HydrophobicContact CD2-CD1 4.02Å; L1110-F1123 HydrophobicContact CD2-CE1 3.84Å; V1112-F1123 HydrophobicContact CG2-CE1 4.12Å; V1112-F1123 HydrophobicContact CG2-CZ 4.06Å; F1123-A1134 CarbonylContact O-C 3.6Å; F1123-A1134 WeakPolarHBondContact O-CA 3.45Å; F1123-I1135 HydrophobicContact CB-CG2 4.11Å; F1123-I1135 PolarHBondContact N-O 2.86Å; F1123-I1135 PolarHBondContact O-N 2.98Å; F1123-V1137 HydrophobicContact CD2-CB 4.05Å; F1123-V1137 HydrophobicContact CD2-CG2 3.65Å; F1123-V1137 HydrophobicContact CE2-CB 3.96Å; F1123-V1137 HydrophobicContact CE2-CG2 3.98Å
1124Y89.9Confident81.5Confident68 Ų6853.9 Ų53.927%0.26729%0.285SS..EExtended strand (participates in β ladder)trans-113.4132.2179.9-50.9-95.1000109.4W1067 H1068 T1070 T1122 H1133 A1134W1067-Y1124 WeakPolarHBondContact CA-O 3.31Å; W1067-Y1124 VanDerWaalsContact CE3-O 3.24Å; H1068-Y1124 HydrophobicContact CB-CD2 4.37Å; H1068-Y1124 PolarHBondContact N-O 3.32Å; H1068-Y1124 PolarHBondContact O-N 2.76Å; H1068-Y1124 VanDerWaalsContact O-O 3.13Å; T1070-Y1124 HydrophobicContact CG2-CE2 3.99Å; T1122-Y1124 HydrophobicContact CG2-CD1 4.31Å; T1122-Y1124 HydrophobicContact CG2-CD2 4.35Å; T1122-Y1124 HydrophobicContact CG2-CE1 3.73Å; T1122-Y1124 HydrophobicContact CG2-CE2 3.79Å; T1122-Y1124 VanDerWaalsContact CG2-CZ 3.43Å; Y1124-H1133 CarbonylContact C-O 3.58Å; Y1124-H1133 VanDerWaalsContact CA-O 3.25Å; Y1124-H1133 WeakPolarHBondContact CA-O 3Å; Y1124-A1134 HydrophobicContact CD1-CB 3.6Å; Y1124-A1134 HydrophobicContact CE1-CB 3.83Å; Y1124-A1134 HydrophobicContact CG-CB 4.49Å
1125C87.4Confident81.4Confident0 Ų049.3 Ų49.30%026%0.263CS..EExtended strand (participates in β ladder)trans-102.3129.3159.8-174.50000108.6P1025 I1027 C1056 W1067 R1132 H1133P1025-C1125 HydrophobicContact CB-CB 4.41Å; I1027-C1125 HydrophobicContact CD1-CB 4.12Å; I1027-C1125 HydrophobicContact CG1-CB 3.96Å; C1056-C1125 HydrophobicContact CB-CB 3.61Å; C1056-C1125 WeakPolarHBondContact CB-SG 3.17Å; C1056-C1125 WeakPolarHBondContact SG-CB 3.4Å; C1056-C1125 CovalentContact SG-SG 2.01Å; C1056-C1125 PolarHBondContact SG-SG 2.84Å; W1067-C1125 HydrophobicContact CD2-CB 4.48Å; W1067-C1125 HydrophobicContact CE3-CB 4.28Å; W1067-C1125 HydrophobicContact CH2-CB 4.18Å; W1067-C1125 HydrophobicContact CZ2-CB 4.4Å; W1067-C1125 HydrophobicContact CZ3-CB 4.11Å; C1125-R1132 CarbonylContact O-C 3.58Å; C1125-R1132 VanDerWaalsContact O-CA 3.27Å; C1125-R1132 WeakPolarHBondContact O-CA 3.41Å; C1125-H1133 PolarHBondContact N-O 2.95Å; C1125-H1133 PolarHBondContact O-N 3.26Å
1126V88.4Confident81.7Confident22 Ų2255.4 Ų55.413%0.13329%0.286CS..EExtended strand (participates in β ladder)trans-122.2133.1-178.3-1690000108.4P1065 A1066 R1131 R1132P1065-V1126 CarbonylContact C-O 3.49Å; P1065-V1126 VanDerWaalsContact CA-O 3.25Å; P1065-V1126 WeakPolarHBondContact CA-O 3.33Å; P1065-V1126 VanDerWaalsContact CB-O 3.3Å; P1065-V1126 WeakPolarHBondContact CB-O 3.42Å; A1066-V1126 PolarHBondContact N-O 3.49Å; A1066-V1126 PolarHBondContact O-N 3.35Å; V1126-R1131 WeakPolarHBondContact CA-O 3.25Å; V1126-R1132 HydrophobicContact CB-CB 4.49Å; V1126-R1132 HydrophobicContact CG1-CB 4.43Å; V1126-R1132 HydrophobicContact CG2-CB 3.9Å
1127D80Confident82Confident10 Ų1050.1 Ų50.15%0.05327%0.266CS..  trans-90.8178176.975.2-3.3000114.4P1025 Y1058 V1129 G1130 R1131P1025-D1127 HydrophobicContact CG-CB 4.04Å; Y1058-D1127 HydrophobicContact CD2-CB 3.91Å; Y1058-D1127 HydrophobicContact CE2-CB 3.25Å; D1127-V1129 PolarHBondContact O-N 3.42Å; D1127-V1129 VanDerWaalsContact OD1-C 3.3Å; D1127-V1129 WeakPolarHBondContact OD1-CA 3.35Å; D1127-V1129 WeakPolarHBondContact OD1-CB 3.5Å; D1127-V1129 PolarHBondContact OD1-N 3.37Å; D1127-G1130 PolarHBondContact O-N 2.86Å; D1127-G1130 PolarHBondContact OD1-N 3.11Å; D1127-G1130 VanDerWaalsContact OD1-N 3.13Å; D1127-R1131 PolarHBondContact N-O 3.32Å; D1127-R1131 WeakPolarHBondContact OD1-CB 2.97Å; D1127-R1131 PolarHBondContact OD1-N 3.32Å; D1127-R1131 IonicContact OD1-NE 2.7Å; D1127-R1131 IonicContact OD2-CZ 3.18Å; D1127-R1131 IonicContact OD2-NE 2.69Å; D1127-R1131 PolarHBondContact OD2-NE 2.82Å; D1127-R1131 IonicContact OD2-NH2 2.82Å; D1127-R1131 PolarHBondContact OD2-NH2 2.79Å
1128S76.2Confident82.1Confident79 Ų7950.1 Ų50.155%0.55226%0.263SS*.THydrogen-bonded Turntrans-58.7-10.7174.449.30000114.6Y1058 K1062Y1058-S1128 PolarHBondContact OH-OG 2.9Å; K1062-S1128 PolarHBondContact O-OG 2.82Å; K1062-S1128 VanDerWaalsContact O-OG 3.1Å
1129V75.1Confident82.2Confident100 Ų10045.8 Ų45.861%0.60624%0.243SC*.THydrogen-bonded Turntrans-108.69.2177.6-157.40000111.1D1127 R1131D1127-V1129 PolarHBondContact O-N 3.42Å; D1127-V1129 VanDerWaalsContact OD1-C 3.3Å; D1127-V1129 WeakPolarHBondContact OD1-CA 3.35Å; D1127-V1129 WeakPolarHBondContact OD1-CB 3.5Å; D1127-V1129 PolarHBondContact OD1-N 3.37Å; V1129-R1131 HydrophobicContact CB-CG 4.32Å; V1129-R1131 PolarHBondContact O-N 2.99Å
1130G71.5Confident81.1Confident53 Ų5350.3 Ų50.355%0.54626%0.263SS..  trans72.35.6-179.400000114.9D1127 R1132D1127-G1130 PolarHBondContact O-N 2.86Å; D1127-G1130 PolarHBondContact OD1-N 3.11Å; D1127-G1130 VanDerWaalsContact OD1-N 3.13Å; G1130-R1132 PolarHBondContact O-N 3.43Å
1131R71.5Confident79.6Confident92 Ų9251.2 Ų51.235%0.34727%0.267SS..  trans-74.2128177.7-57.4177.3-60.7-172.212108.1P1024 P1025 V1126 D1127 V1129P1024-R1131 PolarHBondContact O-NH2 3.25Å; P1025-R1131 WeakPolarHBondContact CG-O 3.29Å; V1126-R1131 WeakPolarHBondContact CA-O 3.25Å; D1127-R1131 PolarHBondContact N-O 3.32Å; D1127-R1131 WeakPolarHBondContact OD1-CB 2.97Å; D1127-R1131 PolarHBondContact OD1-N 3.32Å; D1127-R1131 IonicContact OD1-NE 2.7Å; D1127-R1131 IonicContact OD2-CZ 3.18Å; D1127-R1131 IonicContact OD2-NE 2.69Å; D1127-R1131 PolarHBondContact OD2-NE 2.82Å; D1127-R1131 IonicContact OD2-NH2 2.82Å; D1127-R1131 PolarHBondContact OD2-NH2 2.79Å; V1129-R1131 HydrophobicContact CB-CG 4.32Å; V1129-R1131 PolarHBondContact O-N 2.99Å
1132R75.3Confident77.7Confident192 Ų19254 Ų5473%0.72528%0.278SS*.EExtended strand (participates in β ladder)trans-120.2134.7-173.268.1-175.1-178.6-174.2-1.8113.1C1125 V1126 G1130C1125-R1132 CarbonylContact O-C 3.58Å; C1125-R1132 VanDerWaalsContact O-CA 3.27Å; C1125-R1132 WeakPolarHBondContact O-CA 3.41Å; V1126-R1132 HydrophobicContact CB-CB 4.49Å; V1126-R1132 HydrophobicContact CG1-CB 4.43Å; V1126-R1132 HydrophobicContact CG2-CB 3.9Å; G1130-R1132 PolarHBondContact O-N 3.43Å
1133H76.2Confident75.2Confident27 Ų2758.7 Ų58.713%0.12530%0.301CS..EExtended strand (participates in β ladder)trans-108.6150.6162.9-172.8-95.8000109.9V991 P1025 I1027 Y1124 C1125V991-H1133 PolarHBondContact O-NE2 2.03Å; P1025-H1133 WeakPolarHBondContact O-CB 3.22Å; I1027-H1133 VanDerWaalsContact CA-CE1 3.5Å; I1027-H1133 WeakPolarHBondContact CA-CE1 3.19Å; I1027-H1133 WeakPolarHBondContact CB-CE1 3.41Å; I1027-H1133 HydrophobicContact CD1-CB 4.42Å; I1027-H1133 WeakPolarHBondContact CD1-CE1 3.28Å; I1027-H1133 HydrophobicContact CG1-CB 4.31Å; I1027-H1133 WeakPolarHBondContact CG1-CE1 3.48Å; I1027-H1133 WeakPolarHBondContact CG1-ND1 3.36Å; I1027-H1133 PolarHBondContact N-CE1 2.78Å; Y1124-H1133 CarbonylContact C-O 3.58Å; Y1124-H1133 VanDerWaalsContact CA-O 3.25Å; Y1124-H1133 WeakPolarHBondContact CA-O 3Å; C1125-H1133 PolarHBondContact N-O 2.95Å; C1125-H1133 PolarHBondContact O-N 3.26Å
1134A80.9Confident72.5Confident40 Ų4061.4 Ų61.433%0.33131%0.313SS..EExtended strand (participates in β ladder)trans-135.8142.6-174.300000112.2T1122 F1123 Y1124T1122-A1134 HydrophobicContact CG2-CB 4Å; F1123-A1134 CarbonylContact O-C 3.6Å; F1123-A1134 WeakPolarHBondContact O-CA 3.45Å; Y1124-A1134 HydrophobicContact CD1-CB 3.6Å; Y1124-A1134 HydrophobicContact CE1-CB 3.83Å; Y1124-A1134 HydrophobicContact CG-CB 4.49Å
1135I80Confident69.9Low16 Ų1661.8 Ų61.88%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-133.4131.8169.5-168.9169.2000109.4I1027 F1029 L1044 L1054 T1122 F1123 V1137I1027-I1135 HydrophobicContact CD1-CG2 4.06Å; I1027-I1135 HydrophobicContact CG2-CG2 4.09Å; F1029-I1135 HydrophobicContact CD1-CD1 3.98Å; L1044-I1135 HydrophobicContact CB-CD1 4.1Å; L1044-I1135 HydrophobicContact CB-CG1 4.27Å; L1044-I1135 HydrophobicContact CD2-CD1 3.96Å; L1054-I1135 HydrophobicContact CD1-CG2 4.05Å; L1054-I1135 HydrophobicContact CD2-CG2 4.29Å; T1122-I1135 WeakPolarHBondContact CA-O 3.36Å; F1123-I1135 HydrophobicContact CB-CG2 4.11Å; F1123-I1135 PolarHBondContact N-O 2.86Å; F1123-I1135 PolarHBondContact O-N 2.98Å; I1135-V1137 HydrophobicContact CG2-CG2 4.42Å
1136R83.7Confident67.5Low129 Ų12973.8 Ų73.849%0.48737%0.367SS..EExtended strand (participates in β ladder)trans-94.3120.7176.7-178.3162.5169.6-114.39.6109.4D1043 L1044 I1138D1043-R1136 WeakPolarHBondContact OD1-CB 3.47Å; D1043-R1136 WeakPolarHBondContact OD1-CD 3.5Å; D1043-R1136 WeakPolarHBondContact OD1-CG 3.35Å; D1043-R1136 IonicContact OD1-CZ 3.95Å; D1043-R1136 IonicContact OD1-NE 2.84Å; D1043-R1136 IonicContact OD1-NH1 2.93Å; D1043-R1136 PolarHBondContact OD1-NH1 2.81Å; D1043-R1136 IonicContact OD2-NH1 2.78Å; D1043-R1136 PolarHBondContact OD2-NH1 3.06Å; D1043-R1136 VanDerWaalsContact OD2-NH1 3.09Å; L1044-R1136 PolarHBondContact N-O 3.33Å; R1136-I1138 HydrophobicContact CG-CG1 4.42Å
1137V87Confident65.3Low1 Ų177.4 Ų77.41%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-107.3127-177.2-178.10000108.7L1044 V1046 L1052 L1054 S1120 G1121 F1123 I1135 I1139L1044-V1137 HydrophobicContact CB-CG2 4.47Å; L1044-V1137 HydrophobicContact CD2-CG2 4.4Å; L1044-V1137 WeakPolarHBondContact O-CA 3.48Å; V1046-V1137 HydrophobicContact CB-CG1 4.47Å; V1046-V1137 HydrophobicContact CG2-CG1 3.75Å; L1052-V1137 HydrophobicContact CD2-CG1 3.97Å; L1052-V1137 HydrophobicContact CD2-CG2 4.2Å; L1054-V1137 HydrophobicContact CD1-CG2 4.49Å; S1120-V1137 WeakPolarHBondContact CA-O 3.34Å; G1121-V1137 PolarHBondContact N-O 3.22Å; G1121-V1137 PolarHBondContact O-N 3.31Å; F1123-V1137 HydrophobicContact CD2-CB 4.05Å; F1123-V1137 HydrophobicContact CD2-CG2 3.65Å; F1123-V1137 HydrophobicContact CE2-CB 3.96Å; F1123-V1137 HydrophobicContact CE2-CG2 3.98Å; I1135-V1137 HydrophobicContact CG2-CG2 4.42Å; V1137-I1139 HydrophobicContact CG1-CD1 4.32Å; V1137-I1139 HydrophobicContact CG1-CG1 4.24Å
1138I81.8Confident63.7Low41 Ų4182.6 Ų82.621%0.2141%0.405CS..EExtended strand (participates in β ladder)trans-123.6110.7-179.9-56.2179.8000108.3D1043 L1044 I1045 V1046 R1136 K1140D1043-I1138 HydrophobicContact CB-CD1 3.65Å; D1043-I1138 HydrophobicContact CB-CG1 4.17Å; L1044-I1138 PolarHBondContact O-N 3.46Å; I1045-I1138 WeakPolarHBondContact CA-O 3.5Å; I1045-I1138 HydrophobicContact CD1-CB 4.02Å; I1045-I1138 HydrophobicContact CD1-CD1 4.26Å; I1045-I1138 HydrophobicContact CD1-CG2 4.48Å; V1046-I1138 PolarHBondContact N-O 2.84Å; R1136-I1138 HydrophobicContact CG-CG1 4.42Å; I1138-K1140 HydrophobicContact CG2-CG 4.18Å; I1138-K1140 PolarHBondContact O-N 3.22Å
1139I83.5Confident62.3Low9 Ų982.4 Ų82.45%0.04639%0.394CS..EExtended strand (participates in β ladder)trans-92.6102.8-178.6-67.7148.9000109.1V1046 A1115 R1116 D1119 S1120 V1137V1046-I1139 HydrophobicContact CB-CG1 3.78Å; V1046-I1139 HydrophobicContact CG1-CG1 4.08Å; V1046-I1139 CarbonylContact O-C 3.43Å; V1046-I1139 VanDerWaalsContact O-CA 3.31Å; V1046-I1139 WeakPolarHBondContact O-CA 3.28Å; A1115-I1139 HydrophobicContact CB-CD1 3.76Å; A1115-I1139 HydrophobicContact CB-CG1 4.03Å; A1115-I1139 HydrophobicContact CB-CG2 4.29Å; R1116-I1139 VanDerWaalsContact O-CD1 3.24Å; R1116-I1139 WeakPolarHBondContact O-CD1 3.25Å; R1116-I1139 WeakPolarHBondContact O-CG2 3.47Å; D1119-I1139 HydrophobicContact CB-CD1 3.56Å; S1120-I1139 PolarHBondContact OG-N 2.84Å; V1137-I1139 HydrophobicContact CG1-CD1 4.32Å; V1137-I1139 HydrophobicContact CG1-CG1 4.24Å
1140K62.4Low61.2Low95 Ų9577.6 Ų77.641%0.41337%0.366SS..EExtended strand (participates in β ladder)trans-87.3134.7-179-72.7-167.2175.6-174.70111.2I1045 V1046 R1048 I1138I1045-K1140 HydrophobicContact CG2-CB 4.41Å; I1045-K1140 HydrophobicContact CG2-CD 4.01Å; I1045-K1140 HydrophobicContact CG2-CG 4.12Å; V1046-K1140 PolarHBondContact O-N 3.21Å; R1048-K1140 PolarHBondContact N-O 2.84Å; I1138-K1140 HydrophobicContact CG2-CG 4.18Å; I1138-K1140 PolarHBondContact O-N 3.22Å
1141V53.6Low60.1Low60 Ų6077.4 Ų77.436%0.36435%0.354SS..PPolyproline II helixtrans-84.7136155.6-1660000106.8P1117 I1143P1117-V1141 HydrophobicContact CG-CG2 3.57Å; V1141-I1143 HydrophobicContact CB-CG1 4.1Å; V1141-I1143 HydrophobicContact CG1-CG1 4.12Å; V1141-I1143 PolarHBondContact O-N 3.18Å
1142L47.9Very low58.9Low69 Ų6973.6 Ų73.636%0.36134%0.34SS..PPolyproline II helixtrans-78.3116163.4-68.9168.8000106.4
1143I36.8Very low57.2Low129 Ų12966.8 Ų66.866%0.66232%0.319SS*.  trans-111.1124.1-179.3-57.6176.2000107.3V1141 T1145V1141-I1143 HydrophobicContact CB-CG1 4.1Å; V1141-I1143 HydrophobicContact CG1-CG1 4.12Å; V1141-I1143 PolarHBondContact O-N 3.18Å; I1143-T1145 PolarHBondContact O-N 3.36Å; I1143-T1145 VanDerWaalsContact O-N 3.12Å
1144F33.6Very low55.4Low57 Ų5772.4 Ų72.425%0.2534%0.339CS..  trans-82.681.4-179.5-70.4-99.6000111.3P767 E769 P798P767-F1144 HydrophobicContact CB-CZ 3.99Å; E769-F1144 HydrophobicContact CB-CD2 4.25Å; E769-F1144 HydrophobicContact CB-CE1 4.4Å; E769-F1144 HydrophobicContact CB-CE2 3.68Å; E769-F1144 HydrophobicContact CB-CZ 3.76Å; E769-F1144 VanDerWaalsContact OE2-CD2 3.24Å; E769-F1144 WeakPolarHBondContact OE2-CD2 3.35Å; E769-F1144 WeakPolarHBondContact OE2-CE2 3.49Å; P798-F1144 HydrophobicContact CB-CD1 4.37Å; P798-F1144 HydrophobicContact CB-CE1 4.39Å; P798-F1144 HydrophobicContact CG-CD1 3.76Å; P798-F1144 HydrophobicContact CG-CE1 3.39Å; P798-F1144 HydrophobicContact CG-CZ 4.21Å
1145T34.5Very low52.8Low76 Ų7673.9 Ų73.947%0.46635%0.351SS..  trans-77.5158159.857.20000110.1I1143 E1147I1143-T1145 PolarHBondContact O-N 3.36Å; I1143-T1145 VanDerWaalsContact O-N 3.12Å; T1145-E1147 VanDerWaalsContact CB-OE2 3.23Å; T1145-E1147 WeakPolarHBondContact CB-OE2 3.45Å; T1145-E1147 PolarHBondContact O-N 2.96Å; T1145-E1147 PolarHBondContact OG1-OE2 2.97Å
1146R37.5Very low50.3Low252 Ų25276.3 Ų76.395%0.95137%0.369SS*.SBendtrans-76.141.3-177.7-74.1-175.3169-178.3-2.5113.3
1147E41.3Very low47.6Very low98 Ų9877.1 Ų77.146%0.45838%0.378SS..  trans-122.1129.6-164.4-64174.2124.500113.3T1145T1145-E1147 VanDerWaalsContact CB-OE2 3.23Å; T1145-E1147 WeakPolarHBondContact CB-OE2 3.45Å; T1145-E1147 PolarHBondContact O-N 2.96Å; T1145-E1147 PolarHBondContact OG1-OE2 2.97Å
1148K47.6Very low44.8Very low119 Ų11981 Ų8152%0.51742%0.419SS..  trans23.791.2169.4-56.7-179.9-169.5169.30116.8D829 G830D829-K1148 HydrophobicContact CB-CD 3.69Å; D829-K1148 WeakPolarHBondContact O-CD 3.32Å; D829-K1148 IonicContact OD2-NZ 3.9Å; D829-K1148 PolarHBondContact OD2-NZ 2.89Å; G830-K1148 PolarHBondContact N-O 2.93Å
1149F47.4Very low42.3Very low75 Ų7588.1 Ų88.133%0.32945%0.448SS..  trans-77.5140.5170.5-57.6-92.4000112.7R796 Y797 P798 G830R796-F1149 HydrophobicContact CB-CB 4Å; R796-F1149 HydrophobicContact CB-CD1 4.09Å; R796-F1149 HydrophobicContact CB-CG 4.18Å; R796-F1149 HydrophobicContact CG-CB 4.37Å; Y797-F1149 CarbonylContact O-C 3.5Å; Y797-F1149 VanDerWaalsContact O-CA 3.22Å; Y797-F1149 WeakPolarHBondContact O-CA 3.31Å; P798-F1149 HydrophobicContact CG-CD1 4.49Å; P798-F1149 HydrophobicContact CG-CE1 4.37Å; G830-F1149 WeakPolarHBondContact CA-O 3.07Å
1150C51.2Low39.6Very low0 Ų096.2 Ų96.20%048%0.483CS..EExtended strand (participates in β ladder)trans-83.3153.6165-55.40000110.7R796 Y797 C827 G830 R831 W832R796-C1150 CarbonylContact C-O 3.53Å; R796-C1150 WeakPolarHBondContact CA-O 3.32Å; Y797-C1150 PolarHBondContact N-O 2.8Å; Y797-C1150 PolarHBondContact O-N 3.28Å; C827-C1150 WeakPolarHBondContact CA-SG 3.29Å; C827-C1150 HydrophobicContact CB-CB 3.83Å; C827-C1150 WeakPolarHBondContact CB-SG 3.48Å; C827-C1150 WeakPolarHBondContact SG-CB 3.04Å; C827-C1150 PolarHBondContact SG-N 3.22Å; C827-C1150 VanDerWaalsContact SG-N 3.41Å; C827-C1150 CovalentContact SG-SG 2.02Å; C827-C1150 PolarHBondContact SG-SG 2.85Å; G830-C1150 VanDerWaalsContact CA-SG 3.5Å; R831-C1150 PolarHBondContact N-SG 3.5Å; R831-C1150 PolarHBondContact O-SG 3.2Å; W832-C1150 HydrophobicContact CD2-CB 4.02Å; W832-C1150 HydrophobicContact CG-CB 4.45Å; W832-C1150 HydrophobicContact CH2-CB 4.44Å; W832-C1150 HydrophobicContact CZ2-CB 3.89Å
1151V48.6Very low38Very low49 Ų49101.5 Ų101.530%0.29751%0.506SS..EExtended strand (participates in β ladder)trans-123140.3-179.7-1640000110.6R795 W832 N1153R795-V1151 WeakPolarHBondContact O-CA 3.37Å; W832-V1151 PolarHBondContact NE1-O 2.97Å; V1151-N1153 WeakPolarHBondContact CG1-OD1 3.23Å; V1151-N1153 PolarHBondContact O-N 2.84Å
1152T45.3Very low36.8Very low11 Ų11109.8 Ų109.87%0.06753%0.531CS..  trans-79.767.9173.8470000112.6F792 R795 Y797 W832 W1154F792-T1152 PolarHBondContact O-OG1 2.84Å; R795-T1152 PolarHBondContact O-N 3.19Å; Y797-T1152 HydrophobicContact CD2-CG2 4.12Å; Y797-T1152 HydrophobicContact CE2-CG2 3.32Å; W832-T1152 HydrophobicContact CZ2-CG2 4.06Å; T1152-W1154 VanDerWaalsContact C-N 3.27Å; T1152-W1154 HydrophobicContact CG2-CE3 4.07Å; T1152-W1154 HydrophobicContact CG2-CZ3 3.85Å; T1152-W1154 PolarHBondContact O-N 3.47Å
1153N41.1Very low35.7Very low50 Ų50111.6 Ų111.627%0.26756%0.555SS.*  trans-92.134.5173.4-71.5-0.1000112.8V1151 A1155 E1157V1151-N1153 WeakPolarHBondContact CG1-OD1 3.23Å; V1151-N1153 PolarHBondContact O-N 2.84Å; N1153-A1155 PolarHBondContact O-N 2.83Å; N1153-E1157 HydrophobicContact CB-CG 4.34Å; N1153-E1157 WeakPolarHBondContact CB-OE1 3.46Å; N1153-E1157 PolarHBondContact ND2-OE1 3.38Å
1154W37Very low35.3Very low145 Ų145109.3 Ų109.355%0.54956%0.556SS.*THydrogen-bonded Turntrans-69.58.2173.7-73.8-50.4000114.4V825 W832 T1152V825-W1154 HydrophobicContact CG2-CH2 3.73Å; V825-W1154 HydrophobicContact CG2-CZ2 4.39Å; W832-W1154 HydrophobicContact CB-CH2 4.45Å; W832-W1154 HydrophobicContact CB-CZ2 3.86Å; W832-W1154 AromaticContact CD1-CH2 3.88Å; W832-W1154 AromaticContact CD1-CZ2 3.55Å; W832-W1154 AromaticContact CD2-CH2 3.58Å; W832-W1154 HydrophobicContact CD2-CH2 3.58Å; W832-W1154 AromaticContact CD2-CZ2 3.87Å; W832-W1154 HydrophobicContact CD2-CZ2 3.87Å; W832-W1154 AromaticContact CE2-CH2 3.63Å; W832-W1154 HydrophobicContact CE3-CH2 4.1Å; W832-W1154 AromaticContact CG-CH2 3.75Å; W832-W1154 HydrophobicContact CG-CH2 3.75Å; W832-W1154 AromaticContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CG-CZ2 3.49Å; W832-W1154 VanDerWaalsContact CG-CZ2 3.49Å; W832-W1154 HydrophobicContact CZ2-CH2 4.17Å; W832-W1154 AromaticContact NE1-CH2 3.81Å; W832-W1154 AromaticContact NE1-CZ2 3.94Å; T1152-W1154 VanDerWaalsContact C-N 3.27Å; T1152-W1154 HydrophobicContact CG2-CE3 4.07Å; T1152-W1154 HydrophobicContact CG2-CZ3 3.85Å; T1152-W1154 PolarHBondContact O-N 3.47Å
1155A26.7Very low35.1Very low71 Ų71114.6 Ų114.659%0.58759%0.587SS**THydrogen-bonded Turntrans-137.2141.4163.200000110.8N1153N1153-A1155 PolarHBondContact O-N 2.83Å
1156S27.6Very low35Very low66 Ų66119.4 Ų119.446%0.46261%0.608SS.*THydrogen-bonded Turntrans83.2-9.3168.680.80000121.4G1158 K1159S1156-G1158 PolarHBondContact O-N 2.99Å; S1156-G1158 VanDerWaalsContact O-N 3.17Å; S1156-K1159 PolarHBondContact O-N 2.88Å
1157E27.6Very low34.5Very low146 Ų146110.6 Ų110.668%0.68260%0.596SS**THydrogen-bonded Turntrans-64.4-21.1174.9-91.2-179.2-160.500113.9N1153 K1159N1153-E1157 HydrophobicContact CB-CG 4.34Å; N1153-E1157 WeakPolarHBondContact CB-OE1 3.46Å; N1153-E1157 PolarHBondContact ND2-OE1 3.38Å; E1157-K1159 VanDerWaalsContact C-N 3.34Å; E1157-K1159 PolarHBondContact O-N 2.03Å
1158G28.6Very low33.9Very low83 Ų83113.8 Ų113.886%0.85662%0.615SS**THydrogen-bonded Turntrans-79.4-116900000116.2S1156S1156-G1158 PolarHBondContact O-N 2.99Å; S1156-G1158 VanDerWaalsContact O-N 3.17Å
1159K27.8Very low33Very low190 Ų190113.9 Ų113.983%0.82663%0.626SS**THydrogen-bonded Turntrans-1356.9-170.1-75.8-172.3176.9176.30116.8S1156 E1157S1156-K1159 PolarHBondContact O-N 2.88Å; E1157-K1159 VanDerWaalsContact C-N 3.34Å; E1157-K1159 PolarHBondContact O-N 2.03Å
1160K28Very low32Very low179 Ų179119.5 Ų119.578%0.77866%0.656SS**SBendtrans-125.226.1-179.7-75.3-167.2171.6-173.40116.2
1161K28.3Very low30.9Very low207 Ų207130.7 Ų130.790%0.970%0.698SS**SBendtrans-12924.8172.1-99-169.7176-175.10114.8
1162R27.5Very low30.2Very low234 Ų234132.3 Ų132.388%0.88372%0.724SS**  trans-140.875.3174.7-65.2-174.5-174.2174.62.7110.1
1163A26.7Very low30.4Very low106 Ų106137.4 Ų137.488%0.87675%0.751SS**SBendtrans-155.610-179.600000114.3
1164A28.2Very low31.2Very low82 Ų82138 Ų13868%0.67875%0.754SS**SBendtrans-136.8163.5171.700000107.5
1165D29.2Very low32.8Very low167 Ų167134.3 Ų134.389%0.89375%0.747SS**  trans60.154.7-175.8-56.5-17.6000114.9
1166I30.9Very low35.2Very low177 Ų177131 Ų13191%0.90872%0.719SS**  trans-118.896.1153.1-60.4-177.8000108.2
1167G27.6Very low37.5Very low68 Ų68131.6 Ų131.670%0.70172%0.722SS**  trans-140.8105.1176.300000111.3
1168L29.8Very low39.6Very low165 Ų165131.6 Ų131.686%0.86473%0.726SS**SBendtrans72.2115.5160.3-56.4171.6000120.1
1169T28.1Very low41.5Very low121 Ų121129 Ų12974%0.74269%0.692SS**  trans62.485.7134.859.30000121.4R1171T1169-R1171 PolarHBondContact O-N 3.27Å
1170M26.1Very low42.9Very low193 Ų193127 Ų12795%0.95169%0.691SS**  25.478.9116.5-65.5-75.1-80.300118.7
1171R29Very low44.3Very low235 Ų235124.7 Ų124.789%0.88768%0.683SS**SBendtrans-142.5155.3134.7-93.8-178.5-177.2-177.50.1107.4T1169 N1173T1169-R1171 PolarHBondContact O-N 3.27Å; R1171-N1173 PolarHBondContact O-N 3.19Å
1172G33.9Very low45.5Very low83 Ų83116.7 Ų116.786%0.85666%0.659SS**  trans-63.499.8-163.100000114.7
1173N48.3Very low46.7Very low117 Ų117113 Ų11363%0.62665%0.652SS**  trans-91.5109.4177.5-81.4-20.6000111.4R1171 T1175 Y1194R1171-N1173 PolarHBondContact O-N 3.19Å; N1173-T1175 PolarHBondContact O-N 2.99Å; N1173-Y1194 HydrophobicContact CB-CD1 4.17Å
1174I58.2Low48.3Very low64 Ų64108.5 Ų108.533%0.32862%0.615SS.*  trans-62.5130.4162.2-67.4155.6000108.3Y1194 F1195 E1219I1174-Y1194 CarbonylContact O-C 3.51Å; I1174-Y1194 WeakPolarHBondContact O-CA 3.49Å; I1174-F1195 HydrophobicContact CB-CB 3.93Å; I1174-F1195 HydrophobicContact CG2-CB 4.02Å; I1174-F1195 PolarHBondContact O-N 2.89Å; I1174-E1219 HydrophobicContact CD1-CG 3.9Å; I1174-E1219 WeakPolarHBondContact CD1-O 3.13Å; I1174-E1219 WeakPolarHBondContact CG2-O 3.15Å
1175T69.9Low50.5Low66 Ų66106 Ų10641%0.40559%0.589SS.*BIsolated β-bridgetrans-136138.6-179.152.70000112N1173 N1193 Y1194N1173-T1175 PolarHBondContact O-N 2.99Å; T1175-N1193 CarbonylContact C-O 3.41Å; T1175-N1193 WeakPolarHBondContact CA-O 3.33Å; T1175-Y1194 HydrophobicContact CG2-CD1 3.55Å; T1175-Y1194 HydrophobicContact CG2-CE1 4.05Å; T1175-Y1194 HydrophobicContact CG2-CG 4.47Å
1176C77.6Confident52.9Low1 Ų1102 Ų1021%0.00757%0.567CS.*PPolyproline II helixtrans-89.8154.3174.8-64.50000112.6N1193 C1217 G1221 Q1222 W1223C1176-N1193 PolarHBondContact N-O 3.09Å; C1176-N1193 PolarHBondContact O-ND2 3.19Å; C1176-C1217 HydrophobicContact CB-CB 3.86Å; C1176-C1217 WeakPolarHBondContact CB-SG 3.48Å; C1176-C1217 PolarHBondContact N-SG 2.95Å; C1176-C1217 VanDerWaalsContact N-SG 3.38Å; C1176-C1217 WeakPolarHBondContact SG-CA 3.48Å; C1176-C1217 WeakPolarHBondContact SG-CB 3.36Å; C1176-C1217 CovalentContact SG-SG 2.03Å; C1176-C1217 PolarHBondContact SG-SG 3.24Å; C1176-G1221 WeakPolarHBondContact CA-O 3.41Å; C1176-Q1222 PolarHBondContact SG-O 2.86Å; C1176-W1223 HydrophobicContact CB-CD2 3.92Å; C1176-W1223 HydrophobicContact CB-CE3 4.45Å; C1176-W1223 HydrophobicContact CB-CG 4.31Å; C1176-W1223 HydrophobicContact CB-CH2 4.29Å; C1176-W1223 HydrophobicContact CB-CZ2 3.74Å
1177P76.8Confident55Low80 Ų8094.5 Ų94.552%0.51953%0.532SS..PPolyproline II helixtrans-55.7141.2179.7-27.134.8000113L1179 G1221 W1223P1177-L1179 PolarHBondContact O-N 2.88Å; P1177-G1221 WeakPolarHBondContact CD-O 3.27Å; P1177-W1223 PolarHBondContact O-NE1 3.12Å
1178L70.3Confident57.4Low145 Ų14599 Ų9976%0.75953%0.532SS*.PPolyproline II helixtrans-64.3118.8175.9-73.8171.9000110.3N1180 N1193L1178-N1180 PolarHBondContact O-N 2.85Å; L1178-N1193 HydrophobicContact CD2-CB 4.34Å
1179L70.4Confident59.4Low29 Ų2993.6 Ų93.615%0.15251%0.511CS..  trans-67.2107.8179.1-67.3166.7000109.4P1177 Q1181 V1199 L1201 L1215 W1223 L1228P1177-L1179 PolarHBondContact O-N 2.88Å; L1179-Q1181 PolarHBondContact O-N 3.1Å; L1179-Q1181 VanDerWaalsContact O-N 3.13Å; L1179-V1199 HydrophobicContact CD1-CB 4Å; L1179-V1199 HydrophobicContact CD1-CG1 3.8Å; L1179-V1199 HydrophobicContact CD1-CG2 4.02Å; L1179-L1201 HydrophobicContact CD1-CD2 4.42Å; L1179-L1215 HydrophobicContact CD1-CD1 3.95Å; L1179-L1215 HydrophobicContact CD2-CD1 4.03Å; L1179-W1223 HydrophobicContact CD1-CD2 4.23Å; L1179-W1223 HydrophobicContact CD1-CH2 4.32Å; L1179-W1223 HydrophobicContact CD1-CZ2 3.86Å; L1179-W1223 HydrophobicContact CD2-CG 4.35Å; L1179-W1223 HydrophobicContact CG-CZ2 4.02Å; L1179-L1228 HydrophobicContact CD2-CD1 3.89Å; L1179-L1228 HydrophobicContact CD2-CD2 3.78Å; L1179-L1228 HydrophobicContact CD2-CG 4.41Å
1180N56.9Low61.3Low149 Ų14992.1 Ų92.180%0.79750%0.502SS*.  trans-69.5110.9-169.8-160-2.5000110.3L1178 G1182L1178-N1180 PolarHBondContact O-N 2.85Å; N1180-G1182 PolarHBondContact O-N 2.9Å
1181Q57Low63Low129 Ų12990.9 Ų90.960%0.60349%0.491SS*.  trans-73.472.9-176.3-66-175.1-2.700111.3L1179 A1187L1179-Q1181 PolarHBondContact O-N 3.1Å; L1179-Q1181 VanDerWaalsContact O-N 3.13Å; Q1181-A1187 HydrophobicContact CG-CB 4.45Å; Q1181-A1187 PolarHBondContact NE2-O 3.19Å
1182G53Low64.9Low39 Ų3981.6 Ų81.640%0.40247%0.468SS..  trans-57.2160.5170.800000111.6N1180 A1184 M1185N1180-G1182 PolarHBondContact O-N 2.9Å; G1182-A1184 PolarHBondContact O-N 3.22Å; G1182-M1185 PolarHBondContact O-N 2.77Å
1183Q52.9Low66.7Low157 Ų15779.4 Ų79.473%0.73444%0.437SS*.THydrogen-bonded Turntrans-55.5-15.5-167.5-73.3178.5-32.200116R1204Q1183-R1204 WeakPolarHBondContact O-CD 3.27Å; Q1183-R1204 PolarHBondContact O-NE 2.85Å; Q1183-R1204 PolarHBondContact O-NH1 2.72Å; Q1183-R1204 VanDerWaalsContact O-NH1 3.14Å
1184A60.9Low68Low12 Ų1279.2 Ų79.210%0.09943%0.428CS..THydrogen-bonded Turntrans-105.1-12.8177.800000115.6G1182 C1203 R1204 F1207 C1231G1182-A1184 PolarHBondContact O-N 3.22Å; A1184-C1203 CarbonylContact O-C 3.52Å; A1184-C1203 VanDerWaalsContact O-CA 3.32Å; A1184-C1203 WeakPolarHBondContact O-CA 3.39Å; A1184-R1204 PolarHBondContact O-N 2.87Å; A1184-F1207 HydrophobicContact CB-CB 4.07Å; A1184-F1207 HydrophobicContact CB-CD1 3.38Å; A1184-F1207 HydrophobicContact CB-CD2 3.74Å; A1184-F1207 HydrophobicContact CB-CE1 3.64Å; A1184-F1207 HydrophobicContact CB-CE2 3.97Å; A1184-F1207 HydrophobicContact CB-CG 3.45Å; A1184-F1207 VanDerWaalsContact CB-CG 3.45Å; A1184-F1207 HydrophobicContact CB-CZ 3.94Å; A1184-C1231 HydrophobicContact CB-CB 3.7Å
1185M74.3Confident69Low28 Ų2881.5 Ų81.514%0.13844%0.436CS..EExtended strand (participates in β ladder)trans-106.9139.2-169.9-167.5-176.9-72.400112.7G1182 L1201 P1229G1182-M1185 PolarHBondContact O-N 2.77Å; M1185-L1201 HydrophobicContact CG-CD2 4.47Å; M1185-L1201 HydrophobicContact SD-CD2 4.04Å; M1185-P1229 WeakPolarHBondContact CE-O 3.49Å
1186I78.5Confident69.3Low85 Ų8580 Ų8044%0.43643%0.433SS..EExtended strand (participates in β ladder)trans-119.6120.9174.6-53.6171.9000107.4K1202 R1204I1186-K1202 WeakPolarHBondContact CA-O 3.41Å; I1186-K1202 HydrophobicContact CB-CB 4.44Å; I1186-K1202 WeakPolarHBondContact CB-O 3.01Å; I1186-K1202 PolarHBondContact N-O 2.76Å; I1186-K1202 PolarHBondContact O-N 3.25Å; I1186-R1204 HydrophobicContact CD1-CG 4.04Å; I1186-R1204 HydrophobicContact CG1-CG 4.06Å
1187A74.7Confident69.4Low19 Ų1980.2 Ų80.216%0.15744%0.435CS..EExtended strand (participates in β ladder)trans-119.7118.8-179.500000110.2Q1181 V1199 L1201Q1181-A1187 HydrophobicContact CG-CB 4.45Å; Q1181-A1187 PolarHBondContact NE2-O 3.19Å; A1187-V1199 HydrophobicContact CB-CG1 3.84Å; A1187-L1201 HydrophobicContact CB-CD2 3.69Å
1188K79.3Confident69.7Low162 Ų16277.7 Ų77.770%0.70442%0.418SS*.EExtended strand (participates in β ladder)trans-109.1102.8177.9-172.3177-177.5179.10109.8V1199 D1200K1188-V1199 WeakPolarHBondContact O-CA 3.04Å; K1188-D1200 PolarHBondContact N-O 3.47Å; K1188-D1200 PolarHBondContact O-N 2.86Å
1189A70.6Confident70.3Confident51 Ų5171 Ų7142%0.42138%0.383SS..EExtended strand (participates in β ladder)trans-82.4147.5177.600000112.2V1198 V1199A1189-V1198 CarbonylContact C-O 3.6Å; A1189-V1198 WeakPolarHBondContact CA-O 3.03Å; A1189-V1199 HydrophobicContact CB-CG2 3.92Å
1190T69.6Low71Confident90 Ų9072 Ų7255%0.55239%0.389SS*.SBendtrans-85.8-36.9177.355.40000113.8V1198T1190-V1198 HydrophobicContact CG2-CB 4.11Å; T1190-V1198 PolarHBondContact N-O 2.89Å; T1190-V1198 PolarHBondContact OG1-N 3.46Å; T1190-V1198 VanDerWaalsContact OG1-N 3.07Å; T1190-V1198 PolarHBondContact OG1-O 2.91Å
1191K62Low72.4Confident168 Ų16865.3 Ų65.373%0.7335%0.353SS*.SBendtrans-147.140.9-178.1-67.2-167.3176.3-174.70112.6Y1194 S1197K1191-Y1194 WeakPolarHBondContact O-CD2 3.05Å; K1191-S1197 PolarHBondContact O-OG 2.95Å
1192G67.3Low73.7Confident39 Ų3966.2 Ų66.240%0.40236%0.355SS..THydrogen-bonded Turntrans74.9-137.1-173.700000112.2S1197G1192-S1197 WeakPolarHBondContact O-CB 3.43Å
1193N73.1Confident75.2Confident37 Ų3765.7 Ų65.720%0.19835%0.345CS..THydrogen-bonded Turntrans-122.812.7-173.869.2-44.3000114.7T1175 C1176 L1178 W1223T1175-N1193 CarbonylContact C-O 3.41Å; T1175-N1193 WeakPolarHBondContact CA-O 3.33Å; C1176-N1193 PolarHBondContact N-O 3.09Å; C1176-N1193 PolarHBondContact O-ND2 3.19Å; L1178-N1193 HydrophobicContact CD2-CB 4.34Å; N1193-W1223 HydrophobicContact CB-CZ2 4.44Å
1194Y75Confident76.6Confident113 Ų11364.1 Ų64.144%0.44333%0.332SS..BIsolated β-bridgetrans-70.3163.6176-44.2-75.7000111.9N1173 I1174 T1175 K1191 G1196 S1197 C1217N1173-Y1194 HydrophobicContact CB-CD1 4.17Å; I1174-Y1194 CarbonylContact O-C 3.51Å; I1174-Y1194 WeakPolarHBondContact O-CA 3.49Å; T1175-Y1194 HydrophobicContact CG2-CD1 3.55Å; T1175-Y1194 HydrophobicContact CG2-CE1 4.05Å; T1175-Y1194 HydrophobicContact CG2-CG 4.47Å; K1191-Y1194 WeakPolarHBondContact O-CD2 3.05Å; Y1194-G1196 PolarHBondContact O-N 2.95Å; Y1194-S1197 PolarHBondContact N-OG 2.75Å; Y1194-S1197 WeakPolarHBondContact O-CB 3.22Å; Y1194-S1197 PolarHBondContact O-N 3.17Å; Y1194-S1197 PolarHBondContact O-OG 3.11Å; Y1194-C1217 WeakPolarHBondContact O-CB 3.39Å
1195F78.2Confident77.6Confident113 Ų11368.4 Ų68.450%0.49636%0.359SS..THydrogen-bonded Turntrans-44.3137172.1169.5-118.7000112.9I1174 S1197 E1219I1174-F1195 HydrophobicContact CB-CB 3.93Å; I1174-F1195 HydrophobicContact CG2-CB 4.02Å; I1174-F1195 PolarHBondContact O-N 2.89Å; F1195-S1197 PolarHBondContact O-N 3.25Å; F1195-E1219 HydrophobicContact CD2-CB 4.14Å; F1195-E1219 HydrophobicContact CE2-CB 3.69Å; F1195-E1219 HydrophobicContact CE2-CG 4.31Å; F1195-E1219 HydrophobicContact CZ-CB 4.31Å
1196G77.3Confident77.5Confident34 Ų3467.3 Ų67.335%0.35136%0.355SS..THydrogen-bonded Turntrans77.2-11.8-176.600000115.2Y1194 C1217Y1194-G1196 PolarHBondContact O-N 2.95Å; G1196-C1217 PolarHBondContact N-O 3.48Å
1197S79.8Confident77.8Confident5 Ų566.4 Ų66.44%0.03535%0.347CS..  trans-58.2143.1173.8-60.70000111.2K1191 G1192 Y1194 F1195 R1216 C1217K1191-S1197 PolarHBondContact O-OG 2.95Å; G1192-S1197 WeakPolarHBondContact O-CB 3.43Å; Y1194-S1197 PolarHBondContact N-OG 2.75Å; Y1194-S1197 WeakPolarHBondContact O-CB 3.22Å; Y1194-S1197 PolarHBondContact O-N 3.17Å; Y1194-S1197 PolarHBondContact O-OG 3.11Å; F1195-S1197 PolarHBondContact O-N 3.25Å; S1197-R1216 CarbonylContact O-C 3.57Å; S1197-R1216 WeakPolarHBondContact O-CA 3.41Å; S1197-C1217 PolarHBondContact O-N 2.73Å
1198V83.5Confident78.2Confident27 Ų2768.9 Ų68.916%0.16436%0.361CS..EExtended strand (participates in β ladder)trans-118.1139178.2179.60000108.6A1189 T1190 R1214 L1215 R1216A1189-V1198 CarbonylContact C-O 3.6Å; A1189-V1198 WeakPolarHBondContact CA-O 3.03Å; T1190-V1198 HydrophobicContact CG2-CB 4.11Å; T1190-V1198 PolarHBondContact N-O 2.89Å; T1190-V1198 PolarHBondContact OG1-N 3.46Å; T1190-V1198 VanDerWaalsContact OG1-N 3.07Å; T1190-V1198 PolarHBondContact OG1-O 2.91Å; V1198-R1214 HydrophobicContact CG1-CG 3.64Å; V1198-L1215 CarbonylContact C-O 3.47Å; V1198-L1215 VanDerWaalsContact CA-O 3.31Å; V1198-L1215 WeakPolarHBondContact CA-O 3.39Å; V1198-R1216 HydrophobicContact CG2-CB 4.42Å
1199V82.4Confident78.3Confident5 Ų563.8 Ų63.83%0.0334%0.341CS..EExtended strand (participates in β ladder)trans-123.5122.2176.2-179.30000109.2L1179 A1187 K1188 A1189 L1201 R1214 L1215 W1223L1179-V1199 HydrophobicContact CD1-CB 4Å; L1179-V1199 HydrophobicContact CD1-CG1 3.8Å; L1179-V1199 HydrophobicContact CD1-CG2 4.02Å; A1187-V1199 HydrophobicContact CB-CG1 3.84Å; K1188-V1199 WeakPolarHBondContact O-CA 3.04Å; A1189-V1199 HydrophobicContact CB-CG2 3.92Å; V1199-L1201 HydrophobicContact CG1-CD2 3.89Å; V1199-L1201 HydrophobicContact CG1-CG 4.44Å; V1199-R1214 WeakPolarHBondContact O-CA 3.4Å; V1199-L1215 PolarHBondContact N-O 2.98Å; V1199-L1215 PolarHBondContact O-N 2.88Å; V1199-W1223 HydrophobicContact CB-CH2 4.45Å; V1199-W1223 HydrophobicContact CB-CZ3 4.36Å; V1199-W1223 HydrophobicContact CG2-CH2 3.38Å; V1199-W1223 HydrophobicContact CG2-CZ2 4.21Å; V1199-W1223 HydrophobicContact CG2-CZ3 3.67Å
1200D85.5Confident78.8Confident51 Ų5165.7 Ų65.727%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-86130.4167.6-72-28.1000109.7K1188 R1214K1188-D1200 PolarHBondContact N-O 3.47Å; K1188-D1200 PolarHBondContact O-N 2.86Å; D1200-R1214 VanDerWaalsContact CG-NH2 3.33Å; D1200-R1214 IonicContact OD1-CZ 2.8Å; D1200-R1214 IonicContact OD1-NE 2.71Å; D1200-R1214 PolarHBondContact OD1-NE 3.16Å; D1200-R1214 IonicContact OD1-NH2 2.62Å; D1200-R1214 PolarHBondContact OD1-NH2 2.99Å; D1200-R1214 IonicContact OD2-NH2 3.36Å; D1200-R1214 PolarHBondContact OD2-NH2 3.3Å
1201L84.9Confident79.2Confident7 Ų763.3 Ų63.34%0.03734%0.336CS..EExtended strand (participates in β ladder)trans-110.1133.4-178.4-65.2179.9000111.2L1179 M1185 A1187 V1199 L1209 S1213 L1215 P1229L1179-L1201 HydrophobicContact CD1-CD2 4.42Å; M1185-L1201 HydrophobicContact CG-CD2 4.47Å; M1185-L1201 HydrophobicContact SD-CD2 4.04Å; A1187-L1201 HydrophobicContact CB-CD2 3.69Å; V1199-L1201 HydrophobicContact CG1-CD2 3.89Å; V1199-L1201 HydrophobicContact CG1-CG 4.44Å; L1201-L1209 HydrophobicContact CB-CD2 4.34Å; L1201-S1213 PolarHBondContact N-O 2.9Å; L1201-L1215 HydrophobicContact CD1-CD1 3.84Å; L1201-L1215 HydrophobicContact CD1-CG 4.08Å; L1201-P1229 HydrophobicContact CD1-CB 3.91Å; L1201-P1229 HydrophobicContact CD1-CG 3.84Å
1202K85.4Confident80.1Confident149 Ų14957 Ų5765%0.64832%0.316SS*.EExtended strand (participates in β ladder)trans-137149.2172.2-63.3-173.6178.2-1740109.8I1186I1186-K1202 WeakPolarHBondContact CA-O 3.41Å; I1186-K1202 HydrophobicContact CB-CB 4.44Å; I1186-K1202 WeakPolarHBondContact CB-O 3.01Å; I1186-K1202 PolarHBondContact N-O 2.76Å; I1186-K1202 PolarHBondContact O-N 3.25Å
1203C84Confident81Confident28 Ų2858.9 Ų58.919%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-94156.6169.8-58.50000111.1A1184 F1207 L1209 C1231A1184-C1203 CarbonylContact O-C 3.52Å; A1184-C1203 VanDerWaalsContact O-CA 3.32Å; A1184-C1203 WeakPolarHBondContact O-CA 3.39Å; C1203-F1207 HydrophobicContact CB-CB 3.97Å; C1203-F1207 WeakPolarHBondContact CB-O 3Å; C1203-L1209 VanDerWaalsContact SG-CA 3.51Å; C1203-L1209 VanDerWaalsContact SG-CB 3.59Å; C1203-L1209 PolarHBondContact SG-N 2.82Å; C1203-C1231 WeakPolarHBondContact CA-SG 3.07Å; C1203-C1231 HydrophobicContact CB-CB 3.89Å; C1203-C1231 WeakPolarHBondContact CB-SG 3.2Å; C1203-C1231 VanDerWaalsContact SG-CA 3.52Å; C1203-C1231 WeakPolarHBondContact SG-CB 3.45Å; C1203-C1231 CovalentContact SG-SG 2.04Å; C1203-C1231 PolarHBondContact SG-SG 2.88Å
1204R82.5Confident81.7Confident124 Ų12464.2 Ų64.247%0.46834%0.34SS..PPolyproline II helixtrans-71.4157.6169-65.3-173.6-169.6-175.1-2.3110.4Q1183 A1184 I1186 G1206 F1207Q1183-R1204 WeakPolarHBondContact O-CD 3.27Å; Q1183-R1204 PolarHBondContact O-NE 2.85Å; Q1183-R1204 PolarHBondContact O-NH1 2.72Å; Q1183-R1204 VanDerWaalsContact O-NH1 3.14Å; A1184-R1204 PolarHBondContact O-N 2.87Å; I1186-R1204 HydrophobicContact CD1-CG 4.04Å; I1186-R1204 HydrophobicContact CG1-CG 4.06Å; R1204-G1206 PolarHBondContact O-N 3.32Å; R1204-F1207 PolarHBondContact O-N 3.03Å; R1204-F1207 VanDerWaalsContact O-N 3.15Å
1205P80.7Confident82.3Confident102 Ų10258.9 Ų58.966%0.66232%0.319SS*.THydrogen-bonded Turntrans-50.7139.6174.1-27.635.9000112.4Y1255P1205-Y1255 WeakPolarHBondContact O-CE1 3.38Å
1206G74Confident82.8Confident5 Ų560.6 Ų60.65%0.05232%0.322CS..THydrogen-bonded Turntrans82.56.6-174.200000115.5R1204 V1234R1204-G1206 PolarHBondContact O-N 3.32Å; G1206-V1234 WeakPolarHBondContact O-CG2 3.28Å; G1206-V1234 PolarHBondContact O-N 2.88Å
1207F84.8Confident83.2Confident65 Ų6559 Ų5929%0.28531%0.305SS..EExtended strand (participates in β ladder)trans-132141.3173.3-60.9-98.6000111.8A1184 C1203 R1204 C1231 Q1232 A1233 Y1255A1184-F1207 HydrophobicContact CB-CB 4.07Å; A1184-F1207 HydrophobicContact CB-CD1 3.38Å; A1184-F1207 HydrophobicContact CB-CD2 3.74Å; A1184-F1207 HydrophobicContact CB-CE1 3.64Å; A1184-F1207 HydrophobicContact CB-CE2 3.97Å; A1184-F1207 HydrophobicContact CB-CG 3.45Å; A1184-F1207 VanDerWaalsContact CB-CG 3.45Å; A1184-F1207 HydrophobicContact CB-CZ 3.94Å; C1203-F1207 HydrophobicContact CB-CB 3.97Å; C1203-F1207 WeakPolarHBondContact CB-O 3Å; R1204-F1207 PolarHBondContact O-N 3.03Å; R1204-F1207 VanDerWaalsContact O-N 3.15Å; F1207-C1231 HydrophobicContact CB-CB 4.17Å; F1207-Q1232 CarbonylContact C-O 3.53Å; F1207-Q1232 WeakPolarHBondContact CA-O 3.44Å; F1207-Q1232 WeakPolarHBondContact CB-O 3.46Å; F1207-A1233 HydrophobicContact CD1-CB 4.02Å; F1207-A1233 HydrophobicContact CE1-CB 3.86Å; F1207-Y1255 HydrophobicContact CD2-CD1 4.35Å; F1207-Y1255 AromaticContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CE1 4.19Å; F1207-Y1255 HydrophobicContact CZ-CD1 4.39Å
1208T81.6Confident83.4Confident72 Ų7262 Ų6244%0.44232%0.321SS..EExtended strand (participates in β ladder)trans-104.5141177.646.60000111.6C1231 Q1232 V1234T1208-C1231 CarbonylContact O-C 3.58Å; T1208-C1231 WeakPolarHBondContact O-CA 3.37Å; T1208-Q1232 PolarHBondContact N-O 2.83Å; T1208-Q1232 PolarHBondContact O-N 2.86Å; T1208-V1234 HydrophobicContact CG2-CG2 4.02Å
1209L82.3Confident83.1Confident55 Ų5567.6 Ų67.629%0.28835%0.345SS..EExtended strand (participates in β ladder)trans-84.1126177.2-170.971.2000110.5L1201 C1203 P1229 Q1230L1201-L1209 HydrophobicContact CB-CD2 4.34Å; C1203-L1209 VanDerWaalsContact SG-CA 3.51Å; C1203-L1209 VanDerWaalsContact SG-CB 3.59Å; C1203-L1209 PolarHBondContact SG-N 2.82Å; L1209-P1229 HydrophobicContact CD1-CB 4.13Å; L1209-Q1230 WeakPolarHBondContact CA-O 3.37Å
1210I80.4Confident83Confident91 Ų9171.1 Ų71.147%0.46737%0.37SS..EExtended strand (participates in β ladder)trans-115.6109.1175-57.8-179.6000107.7P1229 Q1230 Q1232I1210-P1229 CarbonylContact O-C 3.55Å; I1210-P1229 WeakPolarHBondContact O-CA 3.48Å; I1210-Q1230 PolarHBondContact N-O 2.96Å; I1210-Q1230 PolarHBondContact O-N 2.78Å; I1210-Q1232 HydrophobicContact CD1-CB 3.87Å; I1210-Q1232 VanDerWaalsContact CD1-OE1 3.25Å
1211G79.2Confident82.5Confident39 Ų3969.5 Ų69.540%0.40237%0.366SS..SBendtrans119.3-177.8-172.200000112.3
1212A81.3Confident82.4Confident36 Ų3674.5 Ų74.530%0.29839%0.389SS..  trans-63.9138.3-178.700000112.9R1214 L1215 P1229A1212-R1214 PolarHBondContact O-N 3.39Å; A1212-L1215 HydrophobicContact CB-CD2 4.46Å; A1212-P1229 VanDerWaalsContact O-CG 3.25Å; A1212-P1229 WeakPolarHBondContact O-CG 3.45Å
1213S84.4Confident82.5Confident78 Ų7867.9 Ų67.955%0.54536%0.36SS..SBendtrans-76.6-5.117353.20000114.2L1201L1201-S1213 PolarHBondContact N-O 2.9Å
1214R88.9Confident82.5Confident150 Ų15069.4 Ų69.457%0.56637%0.371SS*.EExtended strand (participates in β ladder)trans-144.6128.2-179.7176169.3-75.1175.9-4.6110.3V1198 V1199 D1200 A1212V1198-R1214 HydrophobicContact CG1-CG 3.64Å; V1199-R1214 WeakPolarHBondContact O-CA 3.4Å; D1200-R1214 VanDerWaalsContact CG-NH2 3.33Å; D1200-R1214 IonicContact OD1-CZ 2.8Å; D1200-R1214 IonicContact OD1-NE 2.71Å; D1200-R1214 PolarHBondContact OD1-NE 3.16Å; D1200-R1214 IonicContact OD1-NH2 2.62Å; D1200-R1214 PolarHBondContact OD1-NH2 2.99Å; D1200-R1214 IonicContact OD2-NH2 3.36Å; D1200-R1214 PolarHBondContact OD2-NH2 3.3Å; A1212-R1214 PolarHBondContact O-N 3.39Å
1215L87.3Confident82.5Confident1 Ų166.6 Ų66.61%0.00536%0.363CS..EExtended strand (participates in β ladder)trans-115.8142.9174.5-60.9177.4000110.4L1179 V1198 V1199 L1201 A1212 W1223 Q1225 L1228 P1229L1179-L1215 HydrophobicContact CD1-CD1 3.95Å; L1179-L1215 HydrophobicContact CD2-CD1 4.03Å; V1198-L1215 CarbonylContact C-O 3.47Å; V1198-L1215 VanDerWaalsContact CA-O 3.31Å; V1198-L1215 WeakPolarHBondContact CA-O 3.39Å; V1199-L1215 PolarHBondContact N-O 2.98Å; V1199-L1215 PolarHBondContact O-N 2.88Å; L1201-L1215 HydrophobicContact CD1-CD1 3.84Å; L1201-L1215 HydrophobicContact CD1-CG 4.08Å; A1212-L1215 HydrophobicContact CB-CD2 4.46Å; L1215-W1223 HydrophobicContact CB-CB 4.44Å; L1215-W1223 HydrophobicContact CB-CD2 4.29Å; L1215-W1223 HydrophobicContact CB-CE3 3.7Å; L1215-W1223 HydrophobicContact CB-CZ3 4.4Å; L1215-W1223 HydrophobicContact CD1-CB 4.14Å; L1215-W1223 HydrophobicContact CD1-CD2 4.39Å; L1215-W1223 HydrophobicContact CD1-CG 4.2Å; L1215-Q1225 HydrophobicContact CD2-CB 3.83Å; L1215-L1228 HydrophobicContact CD1-CD2 4.03Å; L1215-P1229 HydrophobicContact CD1-CG 4.46Å; L1215-P1229 HydrophobicContact CD2-CG 4.12Å
1216R88.6Confident82.2Confident148 Ų14866.6 Ų66.656%0.55836%0.361SS*.EExtended strand (participates in β ladder)trans-112.3141.3168.2172.6178.3-92.4-172.4-4.9109.6S1197 V1198 W1223 S1224S1197-R1216 CarbonylContact O-C 3.57Å; S1197-R1216 WeakPolarHBondContact O-CA 3.41Å; V1198-R1216 HydrophobicContact CG2-CB 4.42Å; R1216-W1223 CarbonylContact O-C 3.53Å; R1216-S1224 PolarHBondContact N-OG 2.03Å; R1216-S1224 WeakPolarHBondContact O-CB 3.34Å; R1216-S1224 PolarHBondContact O-N 2.92Å
1217C85.1Confident82.2Confident0 Ų071.2 Ų71.20%039%0.39CS..BIsolated β-bridgetrans-78.2118.7170.8-176.40000110.3C1176 Y1194 G1196 S1197 W1223C1176-C1217 HydrophobicContact CB-CB 3.86Å; C1176-C1217 WeakPolarHBondContact CB-SG 3.48Å; C1176-C1217 PolarHBondContact N-SG 2.95Å; C1176-C1217 VanDerWaalsContact N-SG 3.38Å; C1176-C1217 WeakPolarHBondContact SG-CA 3.48Å; C1176-C1217 WeakPolarHBondContact SG-CB 3.36Å; C1176-C1217 CovalentContact SG-SG 2.03Å; C1176-C1217 PolarHBondContact SG-SG 3.24Å; Y1194-C1217 WeakPolarHBondContact O-CB 3.39Å; G1196-C1217 PolarHBondContact N-O 3.48Å; S1197-C1217 PolarHBondContact O-N 2.73Å; C1217-W1223 HydrophobicContact CB-CE3 4.21Å; C1217-W1223 HydrophobicContact CB-CH2 4.29Å; C1217-W1223 HydrophobicContact CB-CZ3 3.87Å
1218L85Confident81.8Confident70 Ų7071.7 Ų71.737%0.36640%0.395SS..  trans-85.2165.3-178.2-59.6-178.8000112S1220 G1221 Q1222L1218-S1220 PolarHBondContact O-N 2.7Å; L1218-G1221 PolarHBondContact O-N 3.11Å; L1218-Q1222 VanDerWaalsContact CB-O 3.28Å; L1218-Q1222 WeakPolarHBondContact CB-O 3.47Å; L1218-Q1222 WeakPolarHBondContact CG-O 3.38Å; L1218-Q1222 PolarHBondContact N-O 3.03Å
1219E77.5Confident81.9Confident143 Ų14368.6 Ų68.667%0.66838%0.376SS*.THydrogen-bonded Turntrans-63.7-23.5176.4-163.7169.3-167.100112.5I1174 F1195 G1221I1174-E1219 HydrophobicContact CD1-CG 3.9Å; I1174-E1219 WeakPolarHBondContact CD1-O 3.13Å; I1174-E1219 WeakPolarHBondContact CG2-O 3.15Å; F1195-E1219 HydrophobicContact CD2-CB 4.14Å; F1195-E1219 HydrophobicContact CE2-CB 3.69Å; F1195-E1219 HydrophobicContact CE2-CG 4.31Å; F1195-E1219 HydrophobicContact CZ-CB 4.31Å; E1219-G1221 PolarHBondContact O-N 2.03Å
1220S79.9Confident81.7Confident79 Ų7972.5 Ų72.555%0.55239%0.393SS*.THydrogen-bonded Turntrans-71.30171.658.60000114.8L1218 Q1222L1218-S1220 PolarHBondContact O-N 2.7Å; S1220-Q1222 PolarHBondContact O-N 3.38Å
1221G74.9Confident81.9Confident18 Ų1869.3 Ų69.319%0.18638%0.379CS..SBendtrans68.815.4-172.200000113.7C1176 P1177 L1218 E1219C1176-G1221 WeakPolarHBondContact CA-O 3.41Å; P1177-G1221 WeakPolarHBondContact CD-O 3.27Å; L1218-G1221 PolarHBondContact O-N 3.11Å; E1219-G1221 PolarHBondContact O-N 2.03Å
1222Q82.6Confident82Confident111 Ų11172.1 Ų72.152%0.51938%0.381SS..SBendtrans-110.7153.7176.9-61.9-173.9-1.200111.8C1176 L1218 S1220C1176-Q1222 PolarHBondContact SG-O 2.86Å; L1218-Q1222 VanDerWaalsContact CB-O 3.28Å; L1218-Q1222 WeakPolarHBondContact CB-O 3.47Å; L1218-Q1222 WeakPolarHBondContact CG-O 3.38Å; L1218-Q1222 PolarHBondContact N-O 3.03Å; S1220-Q1222 PolarHBondContact O-N 3.38Å
1223W86.9Confident81.8Confident11 Ų1171.1 Ų71.14%0.04237%0.373CS..BIsolated β-bridgetrans-72.4148.8169.9-67.1107000110.9C1176 P1177 L1179 N1193 V1199 L1215 R1216 C1217 Q1225 L1228C1176-W1223 HydrophobicContact CB-CD2 3.92Å; C1176-W1223 HydrophobicContact CB-CE3 4.45Å; C1176-W1223 HydrophobicContact CB-CG 4.31Å; C1176-W1223 HydrophobicContact CB-CH2 4.29Å; C1176-W1223 HydrophobicContact CB-CZ2 3.74Å; P1177-W1223 PolarHBondContact O-NE1 3.12Å; L1179-W1223 HydrophobicContact CD1-CD2 4.23Å; L1179-W1223 HydrophobicContact CD1-CH2 4.32Å; L1179-W1223 HydrophobicContact CD1-CZ2 3.86Å; L1179-W1223 HydrophobicContact CD2-CG 4.35Å; L1179-W1223 HydrophobicContact CG-CZ2 4.02Å; N1193-W1223 HydrophobicContact CB-CZ2 4.44Å; V1199-W1223 HydrophobicContact CB-CH2 4.45Å; V1199-W1223 HydrophobicContact CB-CZ3 4.36Å; V1199-W1223 HydrophobicContact CG2-CH2 3.38Å; V1199-W1223 HydrophobicContact CG2-CZ2 4.21Å; V1199-W1223 HydrophobicContact CG2-CZ3 3.67Å; L1215-W1223 HydrophobicContact CB-CB 4.44Å; L1215-W1223 HydrophobicContact CB-CD2 4.29Å; L1215-W1223 HydrophobicContact CB-CE3 3.7Å; L1215-W1223 HydrophobicContact CB-CZ3 4.4Å; L1215-W1223 HydrophobicContact CD1-CB 4.14Å; L1215-W1223 HydrophobicContact CD1-CD2 4.39Å; L1215-W1223 HydrophobicContact CD1-CG 4.2Å; R1216-W1223 CarbonylContact O-C 3.53Å; C1217-W1223 HydrophobicContact CB-CE3 4.21Å; C1217-W1223 HydrophobicContact CB-CH2 4.29Å; C1217-W1223 HydrophobicContact CB-CZ3 3.87Å; W1223-Q1225 PolarHBondContact O-N 2.04Å; W1223-L1228 HydrophobicContact CB-CD2 3.93Å; W1223-L1228 HydrophobicContact CG-CD2 4.11Å
1224S85.7Confident81.8Confident59 Ų5968.8 Ų68.841%0.41336%0.355SS..SBendtrans-62.31.4-177.163.60000116.6R1216R1216-S1224 PolarHBondContact N-OG 2.03Å; R1216-S1224 WeakPolarHBondContact O-CB 3.34Å; R1216-S1224 PolarHBondContact O-N 2.92Å
1225Q81.5Confident81.6Confident66 Ų6665.9 Ų65.931%0.30835%0.348SS..SBendtrans-144129.5166.8-172.7-174.1-17.400109.7L1215 W1223L1215-Q1225 HydrophobicContact CD2-CB 3.83Å; W1223-Q1225 PolarHBondContact O-N 2.04Å
1226V73.5Confident81.6Confident102 Ų10266.2 Ų66.262%0.61835%0.35SS*.SBendtrans-131.3132.1167.5-178.70000107
1227P75.8Confident81.6Confident102 Ų10263.3 Ų63.366%0.66235%0.353SS*.SBendcis-61.6151.5-2.928.6-36.4000112.9
1228L76.3Confident81.6Confident75 Ų7567.9 Ų67.939%0.39338%0.382SS..PPolyproline II helixtrans-64.7145.8-179.9-67.7172.3000111L1179 L1215 W1223L1179-L1228 HydrophobicContact CD2-CD1 3.89Å; L1179-L1228 HydrophobicContact CD2-CD2 3.78Å; L1179-L1228 HydrophobicContact CD2-CG 4.41Å; L1215-L1228 HydrophobicContact CD1-CD2 4.03Å; W1223-L1228 HydrophobicContact CB-CD2 3.93Å; W1223-L1228 HydrophobicContact CG-CD2 4.11Å
1229P82Confident81.6Confident7 Ų765.9 Ų65.95%0.04537%0.371CS..PPolyproline II helixtrans-56.8148.4174.5-24.435.2000112.6M1185 L1201 L1209 I1210 A1212 L1215M1185-P1229 WeakPolarHBondContact CE-O 3.49Å; L1201-P1229 HydrophobicContact CD1-CB 3.91Å; L1201-P1229 HydrophobicContact CD1-CG 3.84Å; L1209-P1229 HydrophobicContact CD1-CB 4.13Å; I1210-P1229 CarbonylContact O-C 3.55Å; I1210-P1229 WeakPolarHBondContact O-CA 3.48Å; A1212-P1229 VanDerWaalsContact O-CG 3.25Å; A1212-P1229 WeakPolarHBondContact O-CG 3.45Å; L1215-P1229 HydrophobicContact CD1-CG 4.46Å; L1215-P1229 HydrophobicContact CD2-CG 4.12Å
1230Q79.5Confident81.4Confident137 Ų13770.2 Ų70.264%0.6438%0.382SS*.EExtended strand (participates in β ladder)trans-129152.6-176.5-62.7-172.7-9.100111.9L1209 I1210L1209-Q1230 WeakPolarHBondContact CA-O 3.37Å; I1210-Q1230 PolarHBondContact N-O 2.96Å; I1210-Q1230 PolarHBondContact O-N 2.78Å
1231C84.4Confident80.6Confident24 Ų2469.7 Ų69.716%0.16238%0.378CS..EExtended strand (participates in β ladder)trans-103.5101.1172.1-69.90000109.5A1184 C1203 F1207 T1208A1184-C1231 HydrophobicContact CB-CB 3.7Å; C1203-C1231 WeakPolarHBondContact CA-SG 3.07Å; C1203-C1231 HydrophobicContact CB-CB 3.89Å; C1203-C1231 WeakPolarHBondContact CB-SG 3.2Å; C1203-C1231 VanDerWaalsContact SG-CA 3.52Å; C1203-C1231 WeakPolarHBondContact SG-CB 3.45Å; C1203-C1231 CovalentContact SG-SG 2.04Å; C1203-C1231 PolarHBondContact SG-SG 2.88Å; F1207-C1231 HydrophobicContact CB-CB 4.17Å; T1208-C1231 CarbonylContact O-C 3.58Å; T1208-C1231 WeakPolarHBondContact O-CA 3.37Å
1232Q80Confident80.2Confident98 Ų9873.4 Ų73.446%0.45840%0.401SS..EExtended strand (participates in β ladder)trans-85.4145.9176.2-175.2173.9-12.700110.2F1207 T1208 I1210 H1235F1207-Q1232 CarbonylContact C-O 3.53Å; F1207-Q1232 WeakPolarHBondContact CA-O 3.44Å; F1207-Q1232 WeakPolarHBondContact CB-O 3.46Å; T1208-Q1232 PolarHBondContact N-O 2.83Å; T1208-Q1232 PolarHBondContact O-N 2.86Å; I1210-Q1232 HydrophobicContact CD1-CB 3.87Å; I1210-Q1232 VanDerWaalsContact CD1-OE1 3.25Å; Q1232-H1235 PolarHBondContact NE2-NE2 3.14Å
1233A79Confident79.7Confident14 Ų1470.5 Ų70.512%0.11639%0.388CS..EExtended strand (participates in β ladder)trans-66.2144.6174.500000111.3F1207 H1235 E1254F1207-A1233 HydrophobicContact CD1-CB 4.02Å; F1207-A1233 HydrophobicContact CE1-CB 3.86Å; A1233-H1235 PolarHBondContact O-CD2 3.17Å; A1233-H1235 VanDerWaalsContact O-CD2 3.28Å; A1233-E1254 HydrophobicContact CB-CB 3.97Å; A1233-E1254 HydrophobicContact CB-CG 4.07Å
1234V82.5Confident79.3Confident29 Ų2974.9 Ų74.918%0.17642%0.418CS..PPolyproline II helixtrans-71.5136168.1-178.90000108.5G1206 T1208 E1254 Y1255 G1281G1206-V1234 WeakPolarHBondContact O-CG2 3.28Å; G1206-V1234 PolarHBondContact O-N 2.88Å; T1208-V1234 HydrophobicContact CG2-CG2 4.02Å; V1234-E1254 CarbonylContact O-C 3.59Å; V1234-Y1255 PolarHBondContact O-N 2.75Å; V1234-G1281 VanDerWaalsContact CG1-CA 3.43Å
1235H85.3Confident79.1Confident90 Ų9072.3 Ų72.342%0.41740%0.4SS..BIsolated β-bridgetrans-105145.4179.1-65.3-97.9000111.6Q1232 A1233 Y1253 E1254Q1232-H1235 PolarHBondContact NE2-NE2 3.14Å; A1233-H1235 PolarHBondContact O-CD2 3.17Å; A1233-H1235 VanDerWaalsContact O-CD2 3.28Å; H1235-Y1253 CarbonylContact C-O 3.44Å; H1235-Y1253 VanDerWaalsContact CA-O 3.28Å; H1235-Y1253 WeakPolarHBondContact CA-O 3.48Å; H1235-E1254 VanDerWaalsContact CE1-CG 3.41Å; H1235-E1254 WeakPolarHBondContact CE1-CG 3.22Å; H1235-E1254 IonicContact CE1-OE1 3.91Å
1236C88.7Confident79.3Confident7 Ų769.8 Ų69.85%0.04739%0.388CS..PPolyproline II helixtrans-97.9149.9172.4-67.90000112.4Y1253 C1277 Q1282 W1283C1236-Y1253 PolarHBondContact N-O 2.91Å; C1236-C1277 HydrophobicContact CB-CB 3.86Å; C1236-C1277 WeakPolarHBondContact CB-SG 3.22Å; C1236-C1277 WeakPolarHBondContact SG-CA 3.47Å; C1236-C1277 WeakPolarHBondContact SG-CB 3.49Å; C1236-C1277 CovalentContact SG-SG 2.03Å; C1236-C1277 PolarHBondContact SG-SG 3.02Å; C1236-Q1282 VanDerWaalsContact SG-C 3.53Å; C1236-Q1282 PolarHBondContact SG-O 2.88Å; C1236-Q1282 VanDerWaalsContact SG-O 3.39Å; C1236-W1283 HydrophobicContact CB-CD2 4.21Å; C1236-W1283 HydrophobicContact CB-CG 4.47Å; C1236-W1283 HydrophobicContact CB-CZ2 4.08Å
1237S87.3Confident79.7Confident88 Ų8868.8 Ų68.862%0.61538%0.378SS*.PPolyproline II helixtrans-58.6140.6-179.9-62.70000113.4I1239 W1283S1237-I1239 PolarHBondContact O-N 2.93Å; S1237-W1283 PolarHBondContact O-NE1 2.97Å
1238P85.8Confident80.2Confident96 Ų9666.7 Ų66.762%0.62336%0.363SS*.PPolyproline II helixtrans-59131.3175.3-26.335.4000113.5R1240 Y1253P1238-R1240 PolarHBondContact O-N 3.05Å; P1238-Y1253 HydrophobicContact CB-CE1 4.32Å
1239I85.2Confident80.6Confident27 Ų2768.2 Ų68.214%0.13837%0.372CS..PPolyproline II helixtrans-73.8120.3-176.3-60167.5000109.9S1237 V1248 V1250 A1259 F1261 I1275 W1283 P1287S1237-I1239 PolarHBondContact O-N 2.93Å; I1239-V1248 HydrophobicContact CD1-CG2 4.27Å; I1239-V1250 HydrophobicContact CD1-CG2 4.25Å; I1239-A1259 HydrophobicContact CD1-CB 3.29Å; I1239-F1261 HydrophobicContact CD1-CZ 4.26Å; I1239-F1261 HydrophobicContact CG2-CE1 4.31Å; I1239-F1261 HydrophobicContact CG2-CZ 4.44Å; I1239-I1275 HydrophobicContact CD1-CD1 4.04Å; I1239-W1283 HydrophobicContact CD1-CD2 4.34Å; I1239-W1283 HydrophobicContact CD1-CH2 4.21Å; I1239-W1283 HydrophobicContact CD1-CZ2 3.76Å; I1239-W1283 HydrophobicContact CG1-CZ2 3.98Å; I1239-P1287 HydrophobicContact CG2-CG 3.91Å
1240R72.9Confident80.7Confident234 Ų23469.5 Ų69.588%0.88338%0.379SS*.  trans-99.5113.2171.8-62-175.9-177.5-169.91.2109.3P1238 S1242P1238-R1240 PolarHBondContact O-N 3.05Å; R1240-S1242 PolarHBondContact O-N 3.06Å
1241S62.3Low80.8Confident69 Ų6967.4 Ų67.448%0.48338%0.38SS..  trans-72.3119.5179.555.10000111.8
1242S66.5Low80.8Confident96 Ų9668.1 Ų68.167%0.67139%0.385SS*.  trans-73.5-36.2174.452.30000113.1R1240R1240-S1242 PolarHBondContact O-N 3.06Å
1243H73.5Confident81.1Confident50 Ų5068 Ų6823%0.23138%0.381CS..SBendtrans-100.7124.8-170.7-167.5-93.3000112.7A1245 L1246 C1290H1243-A1245 PolarHBondContact ND1-N 2.87Å; H1243-A1245 PolarHBondContact O-N 2.93Å; H1243-A1245 VanDerWaalsContact O-N 3.09Å; H1243-L1246 HydrophobicContact CB-CB 4.32Å; H1243-L1246 VanDerWaalsContact O-CB 3.26Å; H1243-L1246 WeakPolarHBondContact O-CB 3.47Å; H1243-L1246 PolarHBondContact O-N 3.44Å; H1243-C1290 PolarHBondContact CE1-O 2.82Å; H1243-C1290 WeakPolarHBondContact ND1-CB 3.5Å
1244P78.4Confident81.4Confident103 Ų10371.7 Ų71.767%0.66940%0.396SS*.THydrogen-bonded Turntrans-71.4-8.7-170.928.6-36.3000114.9K1264P1244-K1264 PolarHBondContact O-NZ 2.98Å
1245A80.8Confident81.5Confident5 Ų573.5 Ų73.54%0.04140%0.4CS..THydrogen-bonded Turntrans-93.5-6.3170.400000114.1H1243 C1263 K1264 F1267 C1290H1243-A1245 PolarHBondContact ND1-N 2.87Å; H1243-A1245 PolarHBondContact O-N 2.93Å; H1243-A1245 VanDerWaalsContact O-N 3.09Å; A1245-C1263 CarbonylContact O-C 3.55Å; A1245-C1263 WeakPolarHBondContact O-CA 3.42Å; A1245-K1264 HydrophobicContact CB-CB 4.37Å; A1245-K1264 PolarHBondContact O-N 3.23Å; A1245-F1267 HydrophobicContact CB-CD1 4.2Å; A1245-F1267 HydrophobicContact CB-CD2 3.85Å; A1245-F1267 HydrophobicContact CB-CE1 4.24Å; A1245-F1267 HydrophobicContact CB-CE2 3.91Å; A1245-F1267 HydrophobicContact CB-CG 4.01Å; A1245-F1267 HydrophobicContact CB-CZ 4.11Å; A1245-C1290 HydrophobicContact CB-CB 4.13Å
1246L84.9Confident81.2Confident13 Ų1373 Ų737%0.06840%0.4CS..EExtended strand (participates in β ladder)trans-80.5139.8179.1-169.469.4000110.7H1243 F1261 P1288H1243-L1246 HydrophobicContact CB-CB 4.32Å; H1243-L1246 VanDerWaalsContact O-CB 3.26Å; H1243-L1246 WeakPolarHBondContact O-CB 3.47Å; H1243-L1246 PolarHBondContact O-N 3.44Å; L1246-F1261 HydrophobicContact CD1-CB 4.14Å; L1246-F1261 HydrophobicContact CD1-CD1 4.04Å; L1246-F1261 HydrophobicContact CD1-CG 4.45Å; L1246-F1261 HydrophobicContact CD2-CD1 4Å; L1246-F1261 HydrophobicContact CD2-CE1 4.23Å; L1246-F1261 HydrophobicContact CG-CD1 4.16Å; L1246-P1288 HydrophobicContact CD1-CG 4.17Å; L1246-P1288 WeakPolarHBondContact CD2-O 3.41Å
1247M83.1Confident80.9Confident81 Ų8172.8 Ų72.840%0.39940%0.4SS..EExtended strand (participates in β ladder)trans-126.9135173.5-52.8-177.7-61.200107.3F1261 Q1262 K1264M1247-F1261 WeakPolarHBondContact O-CA 3.49Å; M1247-Q1262 WeakPolarHBondContact CA-O 3.47Å; M1247-Q1262 WeakPolarHBondContact CB-O 3.41Å; M1247-Q1262 HydrophobicContact CE-CB 3.98Å; M1247-Q1262 PolarHBondContact N-O 2.97Å; M1247-Q1262 PolarHBondContact O-N 3.18Å; M1247-K1264 HydrophobicContact CG-CG 4.25Å; M1247-K1264 HydrophobicContact SD-CG 3.93Å
1248V86.7Confident80.9Confident57 Ų5770.8 Ų70.835%0.34538%0.382SS..EExtended strand (participates in β ladder)trans-123.3139.1-178.264.30000110.2I1239 V1250 A1259 I1260 F1261I1239-V1248 HydrophobicContact CD1-CG2 4.27Å; V1248-V1250 HydrophobicContact CG2-CG2 3.87Å; V1248-A1259 HydrophobicContact CG2-CB 4.14Å; V1248-I1260 WeakPolarHBondContact CA-O 3.49Å; V1248-F1261 HydrophobicContact CB-CD1 3.93Å; V1248-F1261 HydrophobicContact CB-CE1 3.9Å; V1248-F1261 HydrophobicContact CG2-CD1 3.81Å; V1248-F1261 HydrophobicContact CG2-CE1 3.49Å; V1248-F1261 VanDerWaalsContact CG2-CE1 3.49Å; V1248-F1261 HydrophobicContact CG2-CZ 4.19Å
1249N84.4Confident80.9Confident108 Ų10866.2 Ų66.258%0.57835%0.352SS*.EExtended strand (participates in β ladder)trans-125.5110.4175.1-175.724.7000108.6I1260N1249-I1260 PolarHBondContact N-O 3.14Å; N1249-I1260 PolarHBondContact O-N 3.26Å
1250V84.6Confident81.1Confident34 Ų3468.7 Ų68.721%0.20637%0.365CS..EExtended strand (participates in β ladder)trans-104.2124.8-173.9-172.10000109.7I1239 V1248 S1252 Y1253 A1259 W1283I1239-V1250 HydrophobicContact CD1-CG2 4.25Å; V1248-V1250 HydrophobicContact CG2-CG2 3.87Å; V1250-S1252 VanDerWaalsContact CG1-O 3.26Å; V1250-S1252 WeakPolarHBondContact CG1-O 3.5Å; V1250-Y1253 HydrophobicContact CG1-CD1 4.24Å; V1250-Y1253 HydrophobicContact CG1-CD2 4.48Å; V1250-Y1253 HydrophobicContact CG1-CE1 3.95Å; V1250-Y1253 HydrophobicContact CG1-CE2 4.23Å; V1250-Y1253 HydrophobicContact CG1-CG 4.48Å; V1250-Y1253 HydrophobicContact CG2-CE1 4.36Å; V1250-A1259 HydrophobicContact CG1-CB 4.39Å; V1250-A1259 HydrophobicContact CG2-CB 3.92Å; V1250-W1283 HydrophobicContact CG1-CH2 4.07Å
1251S80.2Confident81.8Confident92 Ų9257.9 Ų57.964%0.64332%0.324SS*.SBendtrans-80.4-36179.6630000113.3I1258S1251-I1258 PolarHBondContact N-O 3.05Å; S1251-I1258 PolarHBondContact OG-N 3.21Å; S1251-I1258 PolarHBondContact OG-O 3.31Å
1252S84.4Confident82.9Confident39 Ų3960 Ų6027%0.27333%0.326SS..  trans-159.5159.8167.1-174.40000110.1V1250 E1254 G1257V1250-S1252 VanDerWaalsContact CG1-O 3.26Å; V1250-S1252 WeakPolarHBondContact CG1-O 3.5Å; S1252-E1254 WeakPolarHBondContact OG-CB 3.1Å; S1252-E1254 PolarHBondContact OG-N 3Å; S1252-E1254 VanDerWaalsContact OG-N 3.07Å; S1252-G1257 WeakPolarHBondContact O-CA 3.41Å
1253Y87.6Confident83.8Confident95 Ų9556.5 Ų56.537%0.37330%0.302SS..SBendtrans-95.6-3.8167.8-67-78.3000112.6H1235 C1236 P1238 V1250 W1283H1235-Y1253 CarbonylContact C-O 3.44Å; H1235-Y1253 VanDerWaalsContact CA-O 3.28Å; H1235-Y1253 WeakPolarHBondContact CA-O 3.48Å; C1236-Y1253 PolarHBondContact N-O 2.91Å; P1238-Y1253 HydrophobicContact CB-CE1 4.32Å; V1250-Y1253 HydrophobicContact CG1-CD1 4.24Å; V1250-Y1253 HydrophobicContact CG1-CD2 4.48Å; V1250-Y1253 HydrophobicContact CG1-CE1 3.95Å; V1250-Y1253 HydrophobicContact CG1-CE2 4.23Å; V1250-Y1253 HydrophobicContact CG1-CG 4.48Å; V1250-Y1253 HydrophobicContact CG2-CE1 4.36Å; Y1253-W1283 AromaticContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CE1-CZ2 4.24Å
1254E85.4Confident84.1Confident93 Ų9359.1 Ų59.144%0.43531%0.312SS..BIsolated β-bridgetrans-77.2165.2174.2-66169.5174.300111.6A1233 V1234 H1235 S1252 N1256 G1257 C1277A1233-E1254 HydrophobicContact CB-CB 3.97Å; A1233-E1254 HydrophobicContact CB-CG 4.07Å; V1234-E1254 CarbonylContact O-C 3.59Å; H1235-E1254 VanDerWaalsContact CE1-CG 3.41Å; H1235-E1254 WeakPolarHBondContact CE1-CG 3.22Å; H1235-E1254 IonicContact CE1-OE1 3.91Å; S1252-E1254 WeakPolarHBondContact OG-CB 3.1Å; S1252-E1254 PolarHBondContact OG-N 3Å; S1252-E1254 VanDerWaalsContact OG-N 3.07Å; E1254-N1256 PolarHBondContact O-N 3.23Å; E1254-G1257 WeakPolarHBondContact O-CA 3.43Å; E1254-G1257 PolarHBondContact O-N 2.6Å; E1254-C1277 VanDerWaalsContact O-CB 3.31Å; E1254-C1277 WeakPolarHBondContact O-CB 2.99Å
1255Y82.9Confident83.9Confident67 Ų6759.6 Ų59.626%0.26331%0.314SS..THydrogen-bonded Turntrans-45.9131171.4172.4-127.8000112.7P1205 F1207 V1234 G1257 C1277P1205-Y1255 WeakPolarHBondContact O-CE1 3.38Å; F1207-Y1255 HydrophobicContact CD2-CD1 4.35Å; F1207-Y1255 AromaticContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CD1 3.85Å; F1207-Y1255 HydrophobicContact CE2-CE1 4.19Å; F1207-Y1255 HydrophobicContact CZ-CD1 4.39Å; V1234-Y1255 PolarHBondContact O-N 2.75Å; Y1255-G1257 PolarHBondContact O-N 3.1Å; Y1255-C1277 WeakPolarHBondContact CD2-O 3.36Å
1256N79.5Confident83.4Confident78 Ų7860 Ų6042%0.41732%0.319SS..THydrogen-bonded Turntrans66.96-169.1-57.1-48.4000116.6E1254 Q1276 C1277E1254-N1256 PolarHBondContact O-N 3.23Å; N1256-Q1276 PolarHBondContact OD1-NE2 3.17Å; N1256-C1277 PolarHBondContact N-O 2.97Å
1257G83.5Confident83.3Confident4 Ų463 Ų634%0.04133%0.331CS..  trans-60.9141.2164.200000111.6S1252 E1254 Y1255 Q1276 C1277S1252-G1257 WeakPolarHBondContact O-CA 3.41Å; E1254-G1257 WeakPolarHBondContact O-CA 3.43Å; E1254-G1257 PolarHBondContact O-N 2.6Å; Y1255-G1257 PolarHBondContact O-N 3.1Å; G1257-Q1276 CarbonylContact O-C 3.55Å; G1257-Q1276 WeakPolarHBondContact O-CA 3.36Å; G1257-C1277 PolarHBondContact O-N 3.34Å
1258I87.6Confident83.1Confident46 Ų4662.4 Ų62.424%0.23633%0.332CS..EExtended strand (participates in β ladder)trans-117.6130.8-176-55.6175.2000109S1251 I1260 Y1274 I1275S1251-I1258 PolarHBondContact N-O 3.05Å; S1251-I1258 PolarHBondContact OG-N 3.21Å; S1251-I1258 PolarHBondContact OG-O 3.31Å; I1258-I1260 HydrophobicContact CG2-CG1 4.12Å; I1258-Y1274 HydrophobicContact CG2-CD2 4.19Å; I1258-Y1274 HydrophobicContact CG2-CG 4.46Å; I1258-I1275 WeakPolarHBondContact CA-O 3.09Å
1259A85.3Confident82.9Confident0 Ų061.6 Ų61.60%033%0.327CS..EExtended strand (participates in β ladder)trans-104.8125169.100000110I1239 V1248 V1250 Y1274 I1275 W1283I1239-A1259 HydrophobicContact CD1-CB 3.29Å; V1248-A1259 HydrophobicContact CG2-CB 4.14Å; V1250-A1259 HydrophobicContact CG1-CB 4.39Å; V1250-A1259 HydrophobicContact CG2-CB 3.92Å; A1259-Y1274 CarbonylContact O-C 3.57Å; A1259-Y1274 WeakPolarHBondContact O-CA 3.47Å; A1259-Y1274 WeakPolarHBondContact O-CB 3.07Å; A1259-I1275 HydrophobicContact CB-CG1 3.94Å; A1259-I1275 PolarHBondContact N-O 2.74Å; A1259-I1275 PolarHBondContact O-N 2.89Å; A1259-W1283 HydrophobicContact CB-CH2 4.02Å; A1259-W1283 HydrophobicContact CB-CZ3 3.98Å
1260I88.1Confident82.7Confident78 Ų7861.1 Ų61.140%0.432%0.324SS..EExtended strand (participates in β ladder)trans-107.8133.4-178.3-57.9174.3000109.4V1248 N1249 I1258V1248-I1260 WeakPolarHBondContact CA-O 3.49Å; N1249-I1260 PolarHBondContact N-O 3.14Å; N1249-I1260 PolarHBondContact O-N 3.26Å; I1258-I1260 HydrophobicContact CG2-CG1 4.12Å
1261F88.5Confident82.5Confident7 Ų761.7 Ų61.73%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-107.7140.4-176.7-63.2-74.2000113.1I1239 L1246 M1247 V1248 R1273 I1275 P1287 P1288I1239-F1261 HydrophobicContact CD1-CZ 4.26Å; I1239-F1261 HydrophobicContact CG2-CE1 4.31Å; I1239-F1261 HydrophobicContact CG2-CZ 4.44Å; L1246-F1261 HydrophobicContact CD1-CB 4.14Å; L1246-F1261 HydrophobicContact CD1-CD1 4.04Å; L1246-F1261 HydrophobicContact CD1-CG 4.45Å; L1246-F1261 HydrophobicContact CD2-CD1 4Å; L1246-F1261 HydrophobicContact CD2-CE1 4.23Å; L1246-F1261 HydrophobicContact CG-CD1 4.16Å; M1247-F1261 WeakPolarHBondContact O-CA 3.49Å; V1248-F1261 HydrophobicContact CB-CD1 3.93Å; V1248-F1261 HydrophobicContact CB-CE1 3.9Å; V1248-F1261 HydrophobicContact CG2-CD1 3.81Å; V1248-F1261 HydrophobicContact CG2-CE1 3.49Å; V1248-F1261 VanDerWaalsContact CG2-CE1 3.49Å; V1248-F1261 HydrophobicContact CG2-CZ 4.19Å; F1261-R1273 PolarHBondContact N-O 3.46Å; F1261-I1275 HydrophobicContact CE2-CB 4.49Å; F1261-I1275 HydrophobicContact CE2-CD1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG2 4.15Å; F1261-I1275 HydrophobicContact CZ-CD1 3.72Å; F1261-I1275 HydrophobicContact CZ-CG1 4.13Å; F1261-P1287 HydrophobicContact CE1-CB 3.99Å; F1261-P1287 HydrophobicContact CZ-CB 3.75Å; F1261-P1287 HydrophobicContact CZ-CG 4.21Å; F1261-P1288 HydrophobicContact CB-CG 3.59Å; F1261-P1288 HydrophobicContact CD1-CG 4.08Å; F1261-P1288 HydrophobicContact CD2-CG 3.59Å; F1261-P1288 HydrophobicContact CE2-CG 4.25Å; F1261-P1288 VanDerWaalsContact CG-CD 3.49Å; F1261-P1288 HydrophobicContact CG-CG 3.48Å; F1261-P1288 VanDerWaalsContact CG-CG 3.48Å
1262Q85.8Confident82.6Confident113 Ų11358.6 Ų58.653%0.52832%0.315SS..EExtended strand (participates in β ladder)trans-140.5142.9176.5-61.9-176.10.100109.9M1247M1247-Q1262 WeakPolarHBondContact CA-O 3.47Å; M1247-Q1262 WeakPolarHBondContact CB-O 3.41Å; M1247-Q1262 HydrophobicContact CE-CB 3.98Å; M1247-Q1262 PolarHBondContact N-O 2.97Å; M1247-Q1262 PolarHBondContact O-N 3.18Å
1263C84.9Confident82.6Confident23 Ų2365.8 Ų65.816%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-101.2149.3175.3-64.40000111.5A1245 F1267 T1268 V1269 C1290A1245-C1263 CarbonylContact O-C 3.55Å; A1245-C1263 WeakPolarHBondContact O-CA 3.42Å; C1263-F1267 HydrophobicContact CB-CB 3.85Å; C1263-T1268 PolarHBondContact SG-O 3.12Å; C1263-V1269 HydrophobicContact CB-CG2 4.44Å; C1263-C1290 HydrophobicContact CB-CB 3.8Å; C1263-C1290 WeakPolarHBondContact CB-SG 3.5Å; C1263-C1290 VanDerWaalsContact SG-CA 3.53Å; C1263-C1290 WeakPolarHBondContact SG-CB 3.45Å; C1263-C1290 CovalentContact SG-SG 2.03Å; C1263-C1290 PolarHBondContact SG-SG 2.84Å
1264K79.4Confident82.8Confident106 Ų10668.2 Ų68.246%0.46135%0.346SS..PPolyproline II helixtrans-60.8150.2172.8-69.2176.2-170.71630111P1244 A1245 M1247 G1266 F1267P1244-K1264 PolarHBondContact O-NZ 2.98Å; A1245-K1264 HydrophobicContact CB-CB 4.37Å; A1245-K1264 PolarHBondContact O-N 3.23Å; M1247-K1264 HydrophobicContact CG-CG 4.25Å; M1247-K1264 HydrophobicContact SD-CG 3.93Å; K1264-G1266 PolarHBondContact O-N 3.4Å; K1264-F1267 PolarHBondContact O-N 3.4Å; K1264-F1267 VanDerWaalsContact O-N 3.07Å
1265T75.4Confident83Confident113 Ų11363.8 Ų63.869%0.69333%0.325SS*.THydrogen-bonded Turntrans-52.1123.4-176.5-44.80000112.5Y1315T1265-Y1315 HydrophobicContact CG2-CE1 3.78Å
1266G70.6Confident83.4Confident14 Ų1464.3 Ų64.314%0.14433%0.33CS..THydrogen-bonded Turntrans107.1-6.7-173.800000114.2K1264 V1293K1264-G1266 PolarHBondContact O-N 3.4Å; G1266-V1293 WeakPolarHBondContact O-CB 3.29Å; G1266-V1293 WeakPolarHBondContact O-CG2 3.05Å; G1266-V1293 PolarHBondContact O-N 3.27Å
1267F82.4Confident83.9Confident76 Ų7660.6 Ų60.633%0.33331%0.31SS..EExtended strand (participates in β ladder)trans-122.3151.6175-60.8-101.3000112A1245 C1263 K1264 C1290 A1291 V1292A1245-F1267 HydrophobicContact CB-CD1 4.2Å; A1245-F1267 HydrophobicContact CB-CD2 3.85Å; A1245-F1267 HydrophobicContact CB-CE1 4.24Å; A1245-F1267 HydrophobicContact CB-CE2 3.91Å; A1245-F1267 HydrophobicContact CB-CG 4.01Å; A1245-F1267 HydrophobicContact CB-CZ 4.11Å; C1263-F1267 HydrophobicContact CB-CB 3.85Å; K1264-F1267 PolarHBondContact O-N 3.4Å; K1264-F1267 VanDerWaalsContact O-N 3.07Å; F1267-C1290 HydrophobicContact CB-CB 3.93Å; F1267-C1290 HydrophobicContact CD1-CB 4.19Å; F1267-C1290 WeakPolarHBondContact CD1-O 3.07Å; F1267-C1290 HydrophobicContact CG-CB 4.33Å; F1267-A1291 CarbonylContact C-O 3.57Å; F1267-A1291 WeakPolarHBondContact CA-O 3.27Å; F1267-A1291 VanDerWaalsContact CB-O 3.29Å; F1267-A1291 WeakPolarHBondContact CB-O 3.47Å; F1267-V1292 HydrophobicContact CD1-CG2 4.15Å; F1267-V1292 HydrophobicContact CE1-CG2 3.91Å
1268T77.6Confident84Confident67 Ų6762.4 Ų62.441%0.41132%0.321SS..EExtended strand (participates in β ladder)trans-106.3151.1171.954.30000110.9C1263 C1290 A1291 V1293C1263-T1268 PolarHBondContact SG-O 3.12Å; T1268-C1290 CarbonylContact O-C 3.54Å; T1268-C1290 VanDerWaalsContact O-CA 3.23Å; T1268-C1290 WeakPolarHBondContact O-CA 3.49Å; T1268-A1291 PolarHBondContact N-O 3.14Å; T1268-A1291 PolarHBondContact O-N 3.15Å; T1268-V1293 HydrophobicContact CG2-CG2 3.78Å
1269V82.6Confident83.8Confident40 Ų4062.1 Ų62.124%0.24232%0.323CS..EExtended strand (participates in β ladder)trans-72.7128.4171.8-1770000109C1263 R1273 P1288C1263-V1269 HydrophobicContact CB-CG2 4.44Å; V1269-R1273 HydrophobicContact CG1-CG 4.34Å; V1269-P1288 HydrophobicContact CG1-CB 3.67Å; V1269-P1288 HydrophobicContact CG1-CG 3.79Å
1270D81.3Confident83.8Confident98 Ų9869.5 Ų69.552%0.52436%0.357SS..EExtended strand (participates in β ladder)trans-118.2102.4177.3-178.128.5000108.9P1288 N1289 A1291D1270-P1288 CarbonylContact O-C 3.4Å; D1270-P1288 WeakPolarHBondContact O-CA 3.01Å; D1270-P1288 VanDerWaalsContact O-CB 3.24Å; D1270-P1288 WeakPolarHBondContact O-CB 3.23Å; D1270-N1289 PolarHBondContact N-O 2.92Å; D1270-N1289 PolarHBondContact O-N 2.66Å; D1270-A1291 HydrophobicContact CB-CB 4.16Å
1271G80Confident83.5Confident47 Ų4766.5 Ų66.549%0.48535%0.345SS..SBendtrans116.9-167.9-167.200000113.7R1273G1271-R1273 PolarHBondContact O-N 2.04Å
1272P83Confident83.5Confident27 Ų2772.8 Ų72.818%0.17537%0.374CS..  trans-67.6130.7-17427.1-35000112.3Y1274 I1275 E1285 D1286 P1288P1272-Y1274 VanDerWaalsContact C-N 3.27Å; P1272-Y1274 PolarHBondContact O-N 2.04Å; P1272-I1275 HydrophobicContact CB-CG2 4.22Å; P1272-I1275 HydrophobicContact CG-CG2 3.97Å; P1272-E1285 HydrophobicContact CG-CB 4.07Å; P1272-D1286 WeakPolarHBondContact CG-O 3.23Å; P1272-P1288 VanDerWaalsContact O-CG 3.26Å; P1272-P1288 WeakPolarHBondContact O-CG 2.97Å
1273R84.2Confident83.7Confident190 Ų19069.6 Ų69.672%0.71736%0.358SS*.SBendtrans-73.4-18.7179.4-65.3-171.1-175.5-170.85113.6F1261 V1269 G1271F1261-R1273 PolarHBondContact N-O 3.46Å; V1269-R1273 HydrophobicContact CG1-CG 4.34Å; G1271-R1273 PolarHBondContact O-N 2.04Å
1274Y90.1Very high83.9Confident146 Ų14671.3 Ų71.357%0.57337%0.37SS*.EExtended strand (participates in β ladder)trans-148.8154.5172.966.7-87.6000110.4I1258 A1259 P1272I1258-Y1274 HydrophobicContact CG2-CD2 4.19Å; I1258-Y1274 HydrophobicContact CG2-CG 4.46Å; A1259-Y1274 CarbonylContact O-C 3.57Å; A1259-Y1274 WeakPolarHBondContact O-CA 3.47Å; A1259-Y1274 WeakPolarHBondContact O-CB 3.07Å; P1272-Y1274 VanDerWaalsContact C-N 3.27Å; P1272-Y1274 PolarHBondContact O-N 2.04Å
1275I91Very high84.3Confident0 Ų071.6 Ų71.60%037%0.373CS..EExtended strand (participates in β ladder)trans-134.9152.7173.162.3-177.6000110.1I1239 I1258 A1259 F1261 P1272 W1283 E1285I1239-I1275 HydrophobicContact CD1-CD1 4.04Å; I1258-I1275 WeakPolarHBondContact CA-O 3.09Å; A1259-I1275 HydrophobicContact CB-CG1 3.94Å; A1259-I1275 PolarHBondContact N-O 2.74Å; A1259-I1275 PolarHBondContact O-N 2.89Å; F1261-I1275 HydrophobicContact CE2-CB 4.49Å; F1261-I1275 HydrophobicContact CE2-CD1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG1 3.75Å; F1261-I1275 HydrophobicContact CE2-CG2 4.15Å; F1261-I1275 HydrophobicContact CZ-CD1 3.72Å; F1261-I1275 HydrophobicContact CZ-CG1 4.13Å; P1272-I1275 HydrophobicContact CB-CG2 4.22Å; P1272-I1275 HydrophobicContact CG-CG2 3.97Å; I1275-W1283 HydrophobicContact CB-CE3 4.41Å; I1275-W1283 HydrophobicContact CD1-CB 3.99Å; I1275-W1283 HydrophobicContact CD1-CD2 4.04Å; I1275-W1283 HydrophobicContact CD1-CE3 4.1Å; I1275-W1283 HydrophobicContact CD1-CG 4Å; I1275-W1283 HydrophobicContact CG1-CD2 4.19Å; I1275-W1283 HydrophobicContact CG1-CE3 3.72Å; I1275-W1283 HydrophobicContact CG1-CZ3 4.32Å; I1275-E1285 HydrophobicContact CG2-CB 3.89Å
1276Q90.3Very high84.7Confident77 Ų7772.8 Ų72.836%0.3638%0.375SS..EExtended strand (participates in β ladder)trans-121141.9-173-177.3175.4-17.100111.8N1256 G1257 T1278 S1284N1256-Q1276 PolarHBondContact OD1-NE2 3.17Å; G1257-Q1276 CarbonylContact O-C 3.55Å; G1257-Q1276 WeakPolarHBondContact O-CA 3.36Å; Q1276-T1278 PolarHBondContact O-N 3.29Å; Q1276-S1284 PolarHBondContact N-OG 3Å; Q1276-S1284 PolarHBondContact O-N 3.22Å
1277C89.4Confident85.3Confident0 Ų074.3 Ų74.30%038%0.382CS..BIsolated β-bridgetrans-75.7117.4175.6-178.50000111C1236 E1254 Y1255 N1256 G1257 W1283C1236-C1277 HydrophobicContact CB-CB 3.86Å; C1236-C1277 WeakPolarHBondContact CB-SG 3.22Å; C1236-C1277 WeakPolarHBondContact SG-CA 3.47Å; C1236-C1277 WeakPolarHBondContact SG-CB 3.49Å; C1236-C1277 CovalentContact SG-SG 2.03Å; C1236-C1277 PolarHBondContact SG-SG 3.02Å; E1254-C1277 VanDerWaalsContact O-CB 3.31Å; E1254-C1277 WeakPolarHBondContact O-CB 2.99Å; Y1255-C1277 WeakPolarHBondContact CD2-O 3.36Å; N1256-C1277 PolarHBondContact N-O 2.97Å; G1257-C1277 PolarHBondContact O-N 3.34Å; C1277-W1283 HydrophobicContact CB-CE3 4.26Å; C1277-W1283 HydrophobicContact CB-CH2 4.39Å; C1277-W1283 HydrophobicContact CB-CZ3 4.05Å
1278T86.9Confident85.5Confident43 Ų4370.8 Ų70.826%0.26437%0.367SS..  trans-80.6166.8-175.567.50000112.7Q1276 H1280 G1281 Q1282Q1276-T1278 PolarHBondContact O-N 3.29Å; T1278-H1280 PolarHBondContact O-N 2.95Å; T1278-H1280 PolarHBondContact OG1-N 3.49Å; T1278-G1281 PolarHBondContact O-N 3.35Å; T1278-G1281 VanDerWaalsContact O-N 3.15Å; T1278-Q1282 VanDerWaalsContact CB-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CB-O 3.01Å; T1278-Q1282 VanDerWaalsContact CG2-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CG2-O 3.27Å; T1278-Q1282 PolarHBondContact N-O 2.99Å; T1278-Q1282 PolarHBondContact OG1-N 3.28Å; T1278-Q1282 PolarHBondContact OG1-O 3.26Å
1279S83.2Confident85.9Confident40 Ų4071.4 Ų71.428%0.2837%0.368SS..THydrogen-bonded Turntrans-62.2-817646.60000114.9
1280H84.9Confident86Confident155 Ų15569.8 Ų69.872%0.71836%0.359SS*.THydrogen-bonded Turntrans-104.72.4-179.9-58.5-81000113.5T1278 Q1282T1278-H1280 PolarHBondContact O-N 2.95Å; T1278-H1280 PolarHBondContact OG1-N 3.49Å; H1280-Q1282 VanDerWaalsContact C-N 3.34Å
1281G82.7Confident86Confident15 Ų1567 Ų6716%0.15535%0.349CS..SBendtrans78.218.5-178.800000114.3V1234 T1278V1234-G1281 VanDerWaalsContact CG1-CA 3.43Å; T1278-G1281 PolarHBondContact O-N 3.35Å; T1278-G1281 VanDerWaalsContact O-N 3.15Å
1282Q88.4Confident86.1Confident138 Ų13868.4 Ų68.465%0.64535%0.348SS*.SBendtrans-113.7148.5174.4-65.1178-17.600109.9C1236 T1278 H1280C1236-Q1282 VanDerWaalsContact SG-C 3.53Å; C1236-Q1282 PolarHBondContact SG-O 2.88Å; C1236-Q1282 VanDerWaalsContact SG-O 3.39Å; T1278-Q1282 VanDerWaalsContact CB-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CB-O 3.01Å; T1278-Q1282 VanDerWaalsContact CG2-O 3.31Å; T1278-Q1282 WeakPolarHBondContact CG2-O 3.27Å; T1278-Q1282 PolarHBondContact N-O 2.99Å; T1278-Q1282 PolarHBondContact OG1-N 3.28Å; T1278-Q1282 PolarHBondContact OG1-O 3.26Å; H1280-Q1282 VanDerWaalsContact C-N 3.34Å
1283W88.9Confident86Confident46 Ų4667.4 Ų67.417%0.17434%0.342CS..BIsolated β-bridgetrans-70.8151.6169.7-67.7103.9000110.6C1236 S1237 I1239 V1250 Y1253 A1259 I1275 C1277 E1285C1236-W1283 HydrophobicContact CB-CD2 4.21Å; C1236-W1283 HydrophobicContact CB-CG 4.47Å; C1236-W1283 HydrophobicContact CB-CZ2 4.08Å; S1237-W1283 PolarHBondContact O-NE1 2.97Å; I1239-W1283 HydrophobicContact CD1-CD2 4.34Å; I1239-W1283 HydrophobicContact CD1-CH2 4.21Å; I1239-W1283 HydrophobicContact CD1-CZ2 3.76Å; I1239-W1283 HydrophobicContact CG1-CZ2 3.98Å; V1250-W1283 HydrophobicContact CG1-CH2 4.07Å; Y1253-W1283 AromaticContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CD1-CZ2 3.92Å; Y1253-W1283 HydrophobicContact CE1-CZ2 4.24Å; A1259-W1283 HydrophobicContact CB-CH2 4.02Å; A1259-W1283 HydrophobicContact CB-CZ3 3.98Å; I1275-W1283 HydrophobicContact CB-CE3 4.41Å; I1275-W1283 HydrophobicContact CD1-CB 3.99Å; I1275-W1283 HydrophobicContact CD1-CD2 4.04Å; I1275-W1283 HydrophobicContact CD1-CE3 4.1Å; I1275-W1283 HydrophobicContact CD1-CG 4Å; I1275-W1283 HydrophobicContact CG1-CD2 4.19Å; I1275-W1283 HydrophobicContact CG1-CE3 3.72Å; I1275-W1283 HydrophobicContact CG1-CZ3 4.32Å; C1277-W1283 HydrophobicContact CB-CE3 4.26Å; C1277-W1283 HydrophobicContact CB-CH2 4.39Å; C1277-W1283 HydrophobicContact CB-CZ3 4.05Å; W1283-E1285 VanDerWaalsContact C-N 3.33Å; W1283-E1285 PolarHBondContact O-N 2.82Å
1284S89.1Confident86.1Confident60 Ų6065.8 Ų65.842%0.4234%0.335SS..SBendtrans-64.2-33.9-17757.80000114.2Q1276Q1276-S1284 PolarHBondContact N-OG 3Å; Q1276-S1284 PolarHBondContact O-N 3.22Å
1285E87.3Confident85.8Confident111 Ų11159.4 Ų59.452%0.51931%0.312SS..SBendtrans-148.9167.1-179.3-63.3176.8-116.200109.8P1272 I1275 W1283P1272-E1285 HydrophobicContact CG-CB 4.07Å; I1275-E1285 HydrophobicContact CG2-CB 3.89Å; W1283-E1285 VanDerWaalsContact C-N 3.33Å; W1283-E1285 PolarHBondContact O-N 2.82Å
1286D84.6Confident85.6Confident139 Ų13964.1 Ų64.174%0.74334%0.341SS*.PPolyproline II helixtrans-72.1151173.4-73.3-51.3000112.5P1272P1272-D1286 WeakPolarHBondContact CG-O 3.23Å
1287P83.5Confident85.3Confident45 Ų4565.1 Ų65.129%0.29235%0.349SS..PPolyproline II helixtrans-60.7140.9175.4-24.635.2000113.7I1239 F1261I1239-P1287 HydrophobicContact CG2-CG 3.91Å; F1261-P1287 HydrophobicContact CE1-CB 3.99Å; F1261-P1287 HydrophobicContact CZ-CB 3.75Å; F1261-P1287 HydrophobicContact CZ-CG 4.21Å
1288P87.5Confident84.9Confident3 Ų365.9 Ų65.92%0.01935%0.354CS..PPolyproline II helixtrans-73.9161.9-179.934.5-40000113L1246 F1261 V1269 D1270 P1272L1246-P1288 HydrophobicContact CD1-CG 4.17Å; L1246-P1288 WeakPolarHBondContact CD2-O 3.41Å; F1261-P1288 HydrophobicContact CB-CG 3.59Å; F1261-P1288 HydrophobicContact CD1-CG 4.08Å; F1261-P1288 HydrophobicContact CD2-CG 3.59Å; F1261-P1288 HydrophobicContact CE2-CG 4.25Å; F1261-P1288 VanDerWaalsContact CG-CD 3.49Å; F1261-P1288 HydrophobicContact CG-CG 3.48Å; F1261-P1288 VanDerWaalsContact CG-CG 3.48Å; V1269-P1288 HydrophobicContact CG1-CB 3.67Å; V1269-P1288 HydrophobicContact CG1-CG 3.79Å; D1270-P1288 CarbonylContact O-C 3.4Å; D1270-P1288 WeakPolarHBondContact O-CA 3.01Å; D1270-P1288 VanDerWaalsContact O-CB 3.24Å; D1270-P1288 WeakPolarHBondContact O-CB 3.23Å; P1272-P1288 VanDerWaalsContact O-CG 3.26Å; P1272-P1288 WeakPolarHBondContact O-CG 2.97Å
1289N84.7Confident84.7Confident79 Ų7970.2 Ų70.242%0.42238%0.375SS..EExtended strand (participates in β ladder)trans-94.2175.8169.7-70.5-68.2000111.4D1270D1270-N1289 PolarHBondContact N-O 2.92Å; D1270-N1289 PolarHBondContact O-N 2.66Å
1290C85.3Confident84.7Confident7 Ų771.8 Ų71.85%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-119.8105.6173.5-65.90000111H1243 A1245 C1263 F1267 T1268H1243-C1290 PolarHBondContact CE1-O 2.82Å; H1243-C1290 WeakPolarHBondContact ND1-CB 3.5Å; A1245-C1290 HydrophobicContact CB-CB 4.13Å; C1263-C1290 HydrophobicContact CB-CB 3.8Å; C1263-C1290 WeakPolarHBondContact CB-SG 3.5Å; C1263-C1290 VanDerWaalsContact SG-CA 3.53Å; C1263-C1290 WeakPolarHBondContact SG-CB 3.45Å; C1263-C1290 CovalentContact SG-SG 2.03Å; C1263-C1290 PolarHBondContact SG-SG 2.84Å; F1267-C1290 HydrophobicContact CB-CB 3.93Å; F1267-C1290 HydrophobicContact CD1-CB 4.19Å; F1267-C1290 WeakPolarHBondContact CD1-O 3.07Å; F1267-C1290 HydrophobicContact CG-CB 4.33Å; T1268-C1290 CarbonylContact O-C 3.54Å; T1268-C1290 VanDerWaalsContact O-CA 3.23Å; T1268-C1290 WeakPolarHBondContact O-CA 3.49Å
1291A80.9Confident84.4Confident39 Ų3966.4 Ų66.432%0.32236%0.362SS..EExtended strand (participates in β ladder)trans-80.6156.3176.400000111.6F1267 T1268 D1270F1267-A1291 CarbonylContact C-O 3.57Å; F1267-A1291 WeakPolarHBondContact CA-O 3.27Å; F1267-A1291 VanDerWaalsContact CB-O 3.29Å; F1267-A1291 WeakPolarHBondContact CB-O 3.47Å; T1268-A1291 PolarHBondContact N-O 3.14Å; T1268-A1291 PolarHBondContact O-N 3.15Å; D1270-A1291 HydrophobicContact CB-CB 4.16Å
1292V81.6Confident84.4Confident76 Ų7671.7 Ų71.746%0.46139%0.391SS..EExtended strand (participates in β ladder)trans-83133.3-177.4-171.90000111F1267 R1294 Y1314F1267-V1292 HydrophobicContact CD1-CG2 4.15Å; F1267-V1292 HydrophobicContact CE1-CG2 3.91Å; V1292-R1294 PolarHBondContact O-N 2.89Å; V1292-Y1314 HydrophobicContact CG1-CD1 3.92Å; V1292-Y1314 HydrophobicContact CG1-CE1 4.33Å
1293V81.5Confident83.9Confident7 Ų765.9 Ų65.94%0.04237%0.369CS..PPolyproline II helixtrans-64.6118.5173.8175.60000110.3G1266 T1268 Y1315G1266-V1293 WeakPolarHBondContact O-CB 3.29Å; G1266-V1293 WeakPolarHBondContact O-CG2 3.05Å; G1266-V1293 PolarHBondContact O-N 3.27Å; T1268-V1293 HydrophobicContact CG2-CG2 3.78Å; V1293-Y1315 PolarHBondContact O-N 3.3Å
1294R85.3Confident83.7Confident155 Ų15564.3 Ų64.359%0.58537%0.365SS*.EExtended strand (participates in β ladder)trans-112.9144.8171.6-63.6177.6-179.4-174.9-2.2109.5V1292 Y1313 Y1314 G1341V1292-R1294 PolarHBondContact O-N 2.89Å; R1294-Y1313 WeakPolarHBondContact CA-O 3.14Å; R1294-Y1314 HydrophobicContact CG-CD1 4.01Å; R1294-Y1314 HydrophobicContact CG-CE1 3.86Å; R1294-G1341 VanDerWaalsContact O-CA 3.32Å; R1294-G1341 WeakPolarHBondContact O-CA 3.25Å
1295C84.8Confident83.6Confident13 Ų1364.8 Ų64.89%0.08837%0.366CS..EExtended strand (participates in β ladder)trans-96.4157.8166.8-78.80000111Y1313 C1337 G1341 W1343C1295-Y1313 PolarHBondContact N-O 2.91Å; C1295-C1337 HydrophobicContact CB-CB 3.94Å; C1295-C1337 WeakPolarHBondContact CB-SG 3.39Å; C1295-C1337 WeakPolarHBondContact SG-CA 3.35Å; C1295-C1337 WeakPolarHBondContact SG-CB 3.06Å; C1295-C1337 CovalentContact SG-SG 2.02Å; C1295-C1337 PolarHBondContact SG-SG 2.78Å; C1295-G1341 WeakPolarHBondContact CA-O 3.24Å; C1295-G1341 VanDerWaalsContact SG-CA 3.59Å; C1295-G1341 PolarHBondContact SG-O 3.43Å; C1295-G1341 VanDerWaalsContact SG-O 3.33Å; C1295-W1343 HydrophobicContact CB-CZ2 3.88Å
1296T86.4Confident83.5Confident98 Ų9860.7 Ų60.760%0.60135%0.347SS*.PPolyproline II helixtrans-59.5156.7164.352.20000110.6W1343T1296-W1343 PolarHBondContact O-NE1 2.85Å
1297N84.5Confident83.4Confident98 Ų9857.8 Ų57.852%0.52433%0.334SS..PPolyproline II helixtrans-67.3130.1165.6-75.3-13.6000108.2Y1313N1297-Y1313 WeakPolarHBondContact OD1-CD2 3.05Å
1298P82Confident83.3Confident16 Ų1658.9 Ų58.910%0.10434%0.341CS..PPolyproline II helixtrans-77.1137.3-177.229.5-32.1000111.1L1306 Y1313 V1319 F1321 W1343P1298-L1306 HydrophobicContact CG-CD1 3.96Å; P1298-L1306 HydrophobicContact CG-CD2 3.74Å; P1298-Y1313 HydrophobicContact CG-CE2 4.47Å; P1298-V1319 HydrophobicContact CB-CG2 4.49Å; P1298-V1319 HydrophobicContact CG-CG1 4.17Å; P1298-V1319 HydrophobicContact CG-CG2 4.05Å; P1298-F1321 HydrophobicContact CB-CZ 4.46Å; P1298-W1343 HydrophobicContact CB-CD2 4.42Å; P1298-W1343 HydrophobicContact CB-CZ2 4.41Å; P1298-W1343 HydrophobicContact CG-CZ2 3.98Å
1299D81.4Confident83.1Confident135 Ų13569.4 Ų69.472%0.72238%0.38SS*.PPolyproline II helixtrans-65.8141.8178.9-55.3-68.9000111.7F1321D1299-F1321 WeakPolarHBondContact O-CE1 3.12Å
1300V82.9Confident82.8Confident72 Ų7269.6 Ų69.644%0.43638%0.377SS..  trans-115.5104.9-176.4-172.40000109A1304 L1306V1300-A1304 HydrophobicContact CG1-CB 4.11Å; V1300-A1304 WeakPolarHBondContact CG1-O 3.05Å; V1300-L1306 HydrophobicContact CG2-CB 3.87Å; V1300-L1306 HydrophobicContact CG2-CD1 4.39Å; V1300-L1306 HydrophobicContact CG2-CD2 4.47Å; V1300-L1306 HydrophobicContact CG2-CG 4.48Å
1301P80Confident82.6Confident43 Ų4375 Ų7528%0.27941%0.41SS..  trans-69159.3-176.323.7-30.1000112.4G1303 A1304 A1347 P1348P1301-G1303 PolarHBondContact O-N 2.88Å; P1301-A1304 HydrophobicContact CG-CB 3.93Å; P1301-A1304 VanDerWaalsContact O-CB 3.28Å; P1301-A1304 WeakPolarHBondContact O-CB 3.35Å; P1301-A1304 PolarHBondContact O-N 3.2Å; P1301-A1347 HydrophobicContact CG-CB 4.01Å; P1301-P1348 WeakPolarHBondContact CG-O 3.27Å
1302T81.2Confident82.7Confident126 Ų12677.6 Ų77.677%0.77342%0.415SS*.THydrogen-bonded Turntrans-57.6127.4-176.5-50.50000111.5A1304T1302-A1304 VanDerWaalsContact C-N 3.32Å
1303G79.4Confident82.9Confident16 Ų1674.1 Ų74.117%0.16539%0.394CS..THydrogen-bonded Turntrans83.4-0.2-175.800000114.7P1301 C1323 S1324P1301-G1303 PolarHBondContact O-N 2.88Å; G1303-C1323 CarbonylContact O-C 3.46Å; G1303-C1323 WeakPolarHBondContact O-CA 3.3Å; G1303-S1324 WeakPolarHBondContact O-CB 3.06Å; G1303-S1324 PolarHBondContact O-N 2.88Å; G1303-S1324 PolarHBondContact O-OG 2.88Å
1304A84.1Confident83.1Confident12 Ų1278 Ų7810%0.09941%0.408CS..EExtended strand (participates in β ladder)trans-97.6158.417000000112.6V1300 P1301 T1302 S1322V1300-A1304 HydrophobicContact CG1-CB 4.11Å; V1300-A1304 WeakPolarHBondContact CG1-O 3.05Å; P1301-A1304 HydrophobicContact CG-CB 3.93Å; P1301-A1304 VanDerWaalsContact O-CB 3.28Å; P1301-A1304 WeakPolarHBondContact O-CB 3.35Å; P1301-A1304 PolarHBondContact O-N 3.2Å; T1302-A1304 VanDerWaalsContact C-N 3.32Å; A1304-S1322 CarbonylContact C-O 3.54Å; A1304-S1322 WeakPolarHBondContact CA-O 3.28Å
1305V87.3Confident82.9Confident71 Ų7173.6 Ų73.643%0.4339%0.392SS..EExtended strand (participates in β ladder)trans-131.3146.5167.9-62.70000110.5F1321 S1322V1305-F1321 WeakPolarHBondContact O-CA 3.24Å; V1305-S1322 WeakPolarHBondContact CG2-O 3.44Å; V1305-S1322 PolarHBondContact N-O 2.9Å; V1305-S1322 PolarHBondContact O-N 2.91Å
1306L85.1Confident82.7Confident25 Ų2580.2 Ų80.213%0.13142%0.415CS..EExtended strand (participates in β ladder)trans-104.5127.7-174.6-165.885.2000111.7P1298 V1300 Y1313 V1319 L1320 F1321P1298-L1306 HydrophobicContact CG-CD1 3.96Å; P1298-L1306 HydrophobicContact CG-CD2 3.74Å; V1300-L1306 HydrophobicContact CG2-CB 3.87Å; V1300-L1306 HydrophobicContact CG2-CD1 4.39Å; V1300-L1306 HydrophobicContact CG2-CD2 4.47Å; V1300-L1306 HydrophobicContact CG2-CG 4.48Å; L1306-Y1313 WeakPolarHBondContact CD2-OH 3.41Å; L1306-V1319 HydrophobicContact CD1-CB 3.84Å; L1306-V1319 HydrophobicContact CD1-CG1 4.38Å; L1306-V1319 HydrophobicContact CD1-CG2 4.03Å; L1306-V1319 HydrophobicContact CD2-CG1 4.22Å; L1306-V1319 HydrophobicContact CG-CB 4.2Å; L1306-V1319 HydrophobicContact CG-CG1 4.37Å; L1306-L1320 CarbonylContact C-O 3.43Å; L1306-L1320 WeakPolarHBondContact CA-O 3.06Å; L1306-F1321 HydrophobicContact CD1-CD1 3.77Å; L1306-F1321 HydrophobicContact CD1-CE1 3.49Å; L1306-F1321 VanDerWaalsContact CD1-CE1 3.49Å; L1306-F1321 HydrophobicContact CD1-CG 4.48Å; L1306-F1321 HydrophobicContact CD1-CZ 4Å
1307V82.7Confident82.7Confident77 Ų7777.1 Ų77.147%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-133123.9-175.4-173.20000111.2L1320V1307-L1320 HydrophobicContact CB-CB 4.48Å; V1307-L1320 PolarHBondContact N-O 3.02Å; V1307-L1320 WeakPolarHBondContact O-CB 3.21Å; V1307-L1320 PolarHBondContact O-N 2.67Å
1308P80.7Confident82.7Confident68 Ų6874.2 Ų74.244%0.44238%0.379SS..SBendcis-77.7145.7-14.333.6-33.9000111.8Y1313P1308-Y1313 PolarHBondContact O-OH 3.19Å
1309R82.6Confident82.9Confident224 Ų22473.5 Ų73.585%0.84537%0.374SS*.  trans-80.4118.9168.5-164.1175.3-173.6179.42.2109.4Y1313R1309-Y1313 WeakPolarHBondContact CA-OH 3.03Å
1310K80.2Confident83.1Confident83 Ų8369.2 Ų69.236%0.36135%0.351SS..  trans-110.9162.9175.6-60.9-168.5-176.5-171.40110.9H1312 Y1313 D1317K1310-H1312 WeakPolarHBondContact CB-O 3.27Å; K1310-Y1313 HydrophobicContact CB-CD1 4.17Å; K1310-Y1313 HydrophobicContact CB-CE1 3.72Å; K1310-Y1313 HydrophobicContact CB-CE2 4.15Å; K1310-Y1313 HydrophobicContact CD-CD1 3.91Å; K1310-Y1313 HydrophobicContact CD-CE1 3.87Å; K1310-Y1313 HydrophobicContact CG-CD1 4.2Å; K1310-Y1313 HydrophobicContact CG-CE1 3.66Å; K1310-Y1313 PolarHBondContact N-OH 3.33Å; K1310-D1317 IonicContact NZ-OD1 3.26Å; K1310-D1317 PolarHBondContact NZ-OD1 2.89Å; K1310-D1317 IonicContact NZ-OD2 3.46Å; K1310-D1317 PolarHBondContact NZ-OD2 2.89Å
1311V81Confident83.4Confident120 Ų12066.1 Ų66.173%0.72733%0.332SS*.SBendtrans-71.5-40.4170.6-177.70000111.2
1312H81.4Confident83.5Confident94 Ų9467.1 Ų67.144%0.43534%0.34SS..SBendtrans-140150.7177.2-61.8-27.8000110.2K1310 Y1314K1310-H1312 WeakPolarHBondContact CB-O 3.27Å; H1312-Y1314 HydrophobicContact CB-CE2 3.97Å
1313Y85.9Confident83.7Confident3 Ų362.2 Ų62.21%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-118.4137.6178.1-67-80.9000111.4R1294 C1295 N1297 P1298 L1306 P1308 R1309 K1310 D1317 V1319 W1343R1294-Y1313 WeakPolarHBondContact CA-O 3.14Å; C1295-Y1313 PolarHBondContact N-O 2.91Å; N1297-Y1313 WeakPolarHBondContact OD1-CD2 3.05Å; P1298-Y1313 HydrophobicContact CG-CE2 4.47Å; L1306-Y1313 WeakPolarHBondContact CD2-OH 3.41Å; P1308-Y1313 PolarHBondContact O-OH 3.19Å; R1309-Y1313 WeakPolarHBondContact CA-OH 3.03Å; K1310-Y1313 HydrophobicContact CB-CD1 4.17Å; K1310-Y1313 HydrophobicContact CB-CE1 3.72Å; K1310-Y1313 HydrophobicContact CB-CE2 4.15Å; K1310-Y1313 HydrophobicContact CD-CD1 3.91Å; K1310-Y1313 HydrophobicContact CD-CE1 3.87Å; K1310-Y1313 HydrophobicContact CG-CD1 4.2Å; K1310-Y1313 HydrophobicContact CG-CE1 3.66Å; K1310-Y1313 PolarHBondContact N-OH 3.33Å; Y1313-D1317 WeakPolarHBondContact CA-OD2 3.38Å; Y1313-D1317 HydrophobicContact CD1-CB 4.13Å; Y1313-V1319 HydrophobicContact CD1-CG1 3.96Å; Y1313-V1319 HydrophobicContact CE1-CG1 3.26Å; Y1313-W1343 AromaticContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CZ2 4.06Å; Y1313-W1343 HydrophobicContact CD2-CZ2 4.04Å; Y1313-W1343 HydrophobicContact CE1-CH2 4.36Å; Y1313-W1343 AromaticContact CG-CH2 3.78Å; Y1313-W1343 HydrophobicContact CG-CH2 3.78Å; Y1313-W1343 AromaticContact CG-CZ2 3.66Å; Y1313-W1343 HydrophobicContact CG-CZ2 3.66Å
1314Y86.3Confident83.9Confident89 Ų8964 Ų6435%0.34932%0.32SS..EExtended strand (participates in β ladder)trans-122.2164.1-174.7-60.8-83.7000112V1292 R1294 H1312 R1316 D1317 C1337V1292-Y1314 HydrophobicContact CG1-CD1 3.92Å; V1292-Y1314 HydrophobicContact CG1-CE1 4.33Å; R1294-Y1314 HydrophobicContact CG-CD1 4.01Å; R1294-Y1314 HydrophobicContact CG-CE1 3.86Å; H1312-Y1314 HydrophobicContact CB-CE2 3.97Å; Y1314-R1316 PolarHBondContact O-N 3.49Å; Y1314-D1317 PolarHBondContact N-OD2 2.83Å; Y1314-D1317 VanDerWaalsContact O-CB 3.24Å; Y1314-D1317 WeakPolarHBondContact O-CB 3.42Å; Y1314-D1317 PolarHBondContact O-N 2.98Å; Y1314-C1337 VanDerWaalsContact O-CB 3.27Å; Y1314-C1337 WeakPolarHBondContact O-CB 3.31Å; Y1314-C1337 PolarHBondContact O-SG 2.88Å
1315Y80.9Confident83.7Confident62 Ų6269.5 Ų69.524%0.24336%0.358CS..THydrogen-bonded Turntrans-47128.5176.9169.6-118.6000112.8T1265 V1293 K1339T1265-Y1315 HydrophobicContact CG2-CE1 3.78Å; V1293-Y1315 PolarHBondContact O-N 3.3Å; Y1315-K1339 HydrophobicContact CD2-CB 4.27Å; Y1315-K1339 HydrophobicContact CE2-CB 3.91Å
1316R80.9Confident83.1Confident153 Ų15368 Ų6858%0.57736%0.357SS*.THydrogen-bonded Turntrans74.32-172.3-54.1178171.5-162.2-4.9117.2Y1314 C1337Y1314-R1316 PolarHBondContact O-N 3.49Å; R1316-C1337 PolarHBondContact N-O 3.39Å
1317D85.9Confident83Confident32 Ų3269.5 Ų69.517%0.17136%0.362CS..  trans-61.2146.4165.5-83.4-25.9000111.1K1310 Y1313 Y1314 I1336 C1337K1310-D1317 IonicContact NZ-OD1 3.26Å; K1310-D1317 PolarHBondContact NZ-OD1 2.89Å; K1310-D1317 IonicContact NZ-OD2 3.46Å; K1310-D1317 PolarHBondContact NZ-OD2 2.89Å; Y1313-D1317 WeakPolarHBondContact CA-OD2 3.38Å; Y1313-D1317 HydrophobicContact CD1-CB 4.13Å; Y1314-D1317 PolarHBondContact N-OD2 2.83Å; Y1314-D1317 VanDerWaalsContact O-CB 3.24Å; Y1314-D1317 WeakPolarHBondContact O-CB 3.42Å; Y1314-D1317 PolarHBondContact O-N 2.98Å; D1317-I1336 CarbonylContact O-C 3.48Å; D1317-I1336 WeakPolarHBondContact O-CA 3.47Å; D1317-C1337 HydrophobicContact CB-CB 4.38Å; D1317-C1337 PolarHBondContact O-N 3.38Å
1318I85Confident82.7Confident38 Ų3868.3 Ų68.320%0.19535%0.352CS..EExtended strand (participates in β ladder)trans-123134.9176.5-49.1-169.5000108.2L593 A1335 I1336L593-I1318 HydrophobicContact CD1-CD1 4.45Å; L593-I1318 HydrophobicContact CD2-CD1 3.87Å; L593-I1318 HydrophobicContact CG-CD1 4.41Å; I1318-A1335 WeakPolarHBondContact CA-O 3.31Å; I1318-A1335 WeakPolarHBondContact CG2-O 3.26Å; I1318-I1336 HydrophobicContact CD1-CD1 4.2Å; I1318-I1336 HydrophobicContact CD1-CG1 4.11Å; I1318-I1336 HydrophobicContact CG1-CG1 4.02Å; I1318-I1336 HydrophobicContact CG1-CG2 4.22Å; I1318-I1336 HydrophobicContact CG2-CG1 4.2Å
1319V86.5Confident82.8Confident0 Ų067.6 Ų67.60%035%0.345CS..EExtended strand (participates in β ladder)trans-113.4149.8167.7-65.90000110P1298 L1306 Y1313 F1321 Y1334 A1335 W1343P1298-V1319 HydrophobicContact CB-CG2 4.49Å; P1298-V1319 HydrophobicContact CG-CG1 4.17Å; P1298-V1319 HydrophobicContact CG-CG2 4.05Å; L1306-V1319 HydrophobicContact CD1-CB 3.84Å; L1306-V1319 HydrophobicContact CD1-CG1 4.38Å; L1306-V1319 HydrophobicContact CD1-CG2 4.03Å; L1306-V1319 HydrophobicContact CD2-CG1 4.22Å; L1306-V1319 HydrophobicContact CG-CB 4.2Å; L1306-V1319 HydrophobicContact CG-CG1 4.37Å; Y1313-V1319 HydrophobicContact CD1-CG1 3.96Å; Y1313-V1319 HydrophobicContact CE1-CG1 3.26Å; V1319-F1321 HydrophobicContact CG2-CE2 4.33Å; V1319-F1321 HydrophobicContact CG2-CZ 4.42Å; V1319-Y1334 CarbonylContact O-C 3.57Å; V1319-Y1334 VanDerWaalsContact O-CA 3.26Å; V1319-Y1334 WeakPolarHBondContact O-CA 3.44Å; V1319-A1335 HydrophobicContact CG2-CB 3.92Å; V1319-A1335 PolarHBondContact N-O 2.93Å; V1319-A1335 PolarHBondContact O-N 2.96Å; V1319-W1343 HydrophobicContact CB-CZ3 4.5Å; V1319-W1343 HydrophobicContact CG1-CH2 3.79Å; V1319-W1343 HydrophobicContact CG1-CZ2 4.47Å; V1319-W1343 HydrophobicContact CG1-CZ3 4.18Å; V1319-W1343 HydrophobicContact CG2-CE3 4.1Å; V1319-W1343 HydrophobicContact CG2-CH2 4.11Å; V1319-W1343 HydrophobicContact CG2-CZ3 3.78Å
1320L85.1Confident82.5Confident46 Ų4659.1 Ų59.124%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-115.4145173.1-60.9166.9000110.1H592 L1306 V1307 N1333H592-L1320 WeakPolarHBondContact NE2-CD1 3.48Å; H592-L1320 WeakPolarHBondContact NE2-CD2 3.38Å; L1306-L1320 CarbonylContact C-O 3.43Å; L1306-L1320 WeakPolarHBondContact CA-O 3.06Å; V1307-L1320 HydrophobicContact CB-CB 4.48Å; V1307-L1320 PolarHBondContact N-O 3.02Å; V1307-L1320 WeakPolarHBondContact O-CB 3.21Å; V1307-L1320 PolarHBondContact O-N 2.67Å; L1320-N1333 WeakPolarHBondContact CA-O 3.45Å; L1320-N1333 WeakPolarHBondContact CD2-O 3.4Å
1321F88.3Confident82.3Confident7 Ų758.5 Ų58.53%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-109.2132.3171.8-58.2-87000108.3P1298 D1299 V1305 L1306 V1319 L1329 N1333 A1335 A1347 P1348P1298-F1321 HydrophobicContact CB-CZ 4.46Å; D1299-F1321 WeakPolarHBondContact O-CE1 3.12Å; V1305-F1321 WeakPolarHBondContact O-CA 3.24Å; L1306-F1321 HydrophobicContact CD1-CD1 3.77Å; L1306-F1321 HydrophobicContact CD1-CE1 3.49Å; L1306-F1321 VanDerWaalsContact CD1-CE1 3.49Å; L1306-F1321 HydrophobicContact CD1-CG 4.48Å; L1306-F1321 HydrophobicContact CD1-CZ 4Å; V1319-F1321 HydrophobicContact CG2-CE2 4.33Å; V1319-F1321 HydrophobicContact CG2-CZ 4.42Å; F1321-L1329 VanDerWaalsContact O-CD1 3.31Å; F1321-L1329 WeakPolarHBondContact O-CD1 3.47Å; F1321-N1333 PolarHBondContact N-O 3.35Å; F1321-A1335 HydrophobicContact CE2-CB 4.06Å; F1321-A1347 HydrophobicContact CD1-CB 4.35Å; F1321-A1347 HydrophobicContact CE1-CB 3.68Å; F1321-A1347 HydrophobicContact CZ-CB 3.78Å; F1321-P1348 HydrophobicContact CB-CG 3.45Å; F1321-P1348 VanDerWaalsContact CB-CG 3.45Å; F1321-P1348 HydrophobicContact CD1-CG 4.48Å; F1321-P1348 HydrophobicContact CD2-CG 4Å; F1321-P1348 HydrophobicContact CG-CG 3.76Å
1322S83.3Confident82.3Confident63 Ų6358.2 Ų58.244%0.44132%0.324SS..EExtended strand (participates in β ladder)trans-127.7140.1171.1-1740000108.9A1304 V1305A1304-S1322 CarbonylContact C-O 3.54Å; A1304-S1322 WeakPolarHBondContact CA-O 3.28Å; V1305-S1322 WeakPolarHBondContact CG2-O 3.44Å; V1305-S1322 PolarHBondContact N-O 2.9Å; V1305-S1322 PolarHBondContact O-N 2.91Å
1323C84.2Confident82.5Confident23 Ų2357.3 Ų57.316%0.15532%0.322CS..EExtended strand (participates in β ladder)trans-81.6152.2171.9-610000111.5G1303 L1329 C1350G1303-C1323 CarbonylContact O-C 3.46Å; G1303-C1323 WeakPolarHBondContact O-CA 3.3Å; C1323-L1329 WeakPolarHBondContact SG-CA 3.4Å; C1323-L1329 WeakPolarHBondContact SG-CB 3.49Å; C1323-C1350 WeakPolarHBondContact CA-SG 3.44Å; C1323-C1350 HydrophobicContact CB-CB 3.93Å; C1323-C1350 WeakPolarHBondContact CB-SG 3.34Å; C1323-C1350 VanDerWaalsContact SG-CA 3.5Å; C1323-C1350 WeakPolarHBondContact SG-CB 3.17Å; C1323-C1350 CovalentContact SG-SG 2.04Å; C1323-C1350 PolarHBondContact SG-SG 3.43Å
1324S84.8Confident82.6Confident54 Ų5461.1 Ų61.138%0.37834%0.337SS..PPolyproline II helixtrans-71161.9167.8-680000111.3G1303 Y1327G1303-S1324 WeakPolarHBondContact O-CB 3.06Å; G1303-S1324 PolarHBondContact O-N 2.88Å; G1303-S1324 PolarHBondContact O-OG 2.88Å; S1324-Y1327 PolarHBondContact O-N 2.9Å
1325S80Confident82.6Confident127 Ų12756.9 Ų56.989%0.88832%0.321SS*.THydrogen-bonded Turntrans-55.9140.6177-167.70000112.1
1326G73.8Confident83Confident40 Ų4056.5 Ų56.541%0.41232%0.322SS..THydrogen-bonded Turntrans84.62.7-175.200000115.6
1327Y83.4Confident83.3Confident57 Ų5749.2 Ų49.222%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-124.6146.7176.1-59.5-98.4000112S1324 C1350 L1351 R1352S1324-Y1327 PolarHBondContact O-N 2.9Å; Y1327-C1350 HydrophobicContact CD1-CB 4.25Å; Y1327-C1350 WeakPolarHBondContact CD1-O 3.39Å; Y1327-C1350 HydrophobicContact CG-CB 4.33Å; Y1327-L1351 CarbonylContact C-O 3.57Å; Y1327-L1351 VanDerWaalsContact CA-O 3.29Å; Y1327-L1351 WeakPolarHBondContact CA-O 3.16Å; Y1327-R1352 HydrophobicContact CD1-CG 3.66Å; Y1327-R1352 HydrophobicContact CE1-CG 3.44Å; Y1327-R1352 VanDerWaalsContact CE1-CG 3.44Å; Y1327-R1352 PolarHBondContact OH-NE 2.96Å; Y1327-R1352 PolarHBondContact OH-NH2 2.7Å
1328L77.6Confident83.1Confident52 Ų5249.8 Ų49.827%0.27230%0.298SS..EExtended strand (participates in β ladder)trans-105.2130.4176.6-171.371.9000109.8C1350 L1351 F1353 Y1372 L1374L1328-C1350 WeakPolarHBondContact O-CA 3.39Å; L1328-L1351 PolarHBondContact N-O 3Å; L1328-L1351 PolarHBondContact O-N 3.27Å; L1328-F1353 HydrophobicContact CB-CD1 4.16Å; L1328-Y1372 HydrophobicContact CD2-CD2 4.14Å; L1328-Y1372 HydrophobicContact CD2-CE2 3.66Å; L1328-L1374 HydrophobicContact CD2-CD2 4.26Å
1329L81Confident82.8Confident53 Ų5354.5 Ų54.528%0.27732%0.317SS..EExtended strand (participates in β ladder)trans-79.3124.2178.8-165.7151.6000110.7F1321 C1323 N1333 P1348F1321-L1329 VanDerWaalsContact O-CD1 3.31Å; F1321-L1329 WeakPolarHBondContact O-CD1 3.47Å; C1323-L1329 WeakPolarHBondContact SG-CA 3.4Å; C1323-L1329 WeakPolarHBondContact SG-CB 3.49Å; L1329-N1333 HydrophobicContact CD1-CB 3.87Å; L1329-N1333 HydrophobicContact CD2-CB 4Å; L1329-P1348 HydrophobicContact CD1-CG 4.07Å; L1329-P1348 HydrophobicContact CD2-CB 3.7Å; L1329-P1348 HydrophobicContact CD2-CG 4.06Å; L1329-P1348 HydrophobicContact CG-CB 3.99Å; L1329-P1348 HydrophobicContact CG-CG 4.07Å
1330T76.5Confident82.3Confident45 Ų4560.7 Ų60.728%0.27635%0.346SS..EExtended strand (participates in β ladder)trans-121.8134.2176.160.40000110.4P1348 E1349 L1351T1330-P1348 CarbonylContact O-C 3.5Å; T1330-P1348 WeakPolarHBondContact O-CA 3.18Å; T1330-P1348 WeakPolarHBondContact O-CB 3.32Å; T1330-E1349 PolarHBondContact N-O 2.88Å; T1330-E1349 PolarHBondContact O-N 3Å; T1330-E1349 WeakPolarHBondContact OG1-CB 3.45Å; T1330-E1349 PolarHBondContact OG1-O 3.32Å; T1330-L1351 HydrophobicContact CG2-CD1 3.98Å; T1330-L1351 HydrophobicContact CG2-CG 4.35Å
1331G77.2Confident82.1Confident71 Ų7159.1 Ų59.173%0.73234%0.341SS*.SBendtrans98.1-158.1-167.200000113.1
1332K80.1Confident82Confident113 Ų11363.7 Ų63.749%0.49136%0.364SS..  trans-96.6125.8-176.4-67.3169.9-178.1163.60110.8Y1334 N1345 P1348K1332-Y1334 HydrophobicContact CB-CD1 4.44Å; K1332-Y1334 HydrophobicContact CB-CE1 4.37Å; K1332-Y1334 PolarHBondContact O-N 2.92Å; K1332-N1345 HydrophobicContact CB-CB 4.45Å; K1332-N1345 HydrophobicContact CD-CB 4.03Å; K1332-N1345 WeakPolarHBondContact CD-OD1 3.29Å; K1332-N1345 WeakPolarHBondContact CE-OD1 3.36Å; K1332-N1345 PolarHBondContact NZ-OD1 3.41Å; K1332-P1348 WeakPolarHBondContact O-CG 3.49Å
1333N85.2Confident82.1Confident75 Ų7562.3 Ų62.340%0.40135%0.349SS..SBendtrans-75.313.7-179.174.3-40.5000115.2L1320 F1321 L1329L1320-N1333 WeakPolarHBondContact CA-O 3.45Å; L1320-N1333 WeakPolarHBondContact CD2-O 3.4Å; F1321-N1333 PolarHBondContact N-O 3.35Å; L1329-N1333 HydrophobicContact CD1-CB 3.87Å; L1329-N1333 HydrophobicContact CD2-CB 4Å
1334Y88.4Confident82.3Confident84 Ų8464.3 Ų64.333%0.32936%0.361SS..EExtended strand (participates in β ladder)trans-149.1152.1-176.473.4-83.1000112.5V1319 K1332 I1336 N1345V1319-Y1334 CarbonylContact O-C 3.57Å; V1319-Y1334 VanDerWaalsContact O-CA 3.26Å; V1319-Y1334 WeakPolarHBondContact O-CA 3.44Å; K1332-Y1334 HydrophobicContact CB-CD1 4.44Å; K1332-Y1334 HydrophobicContact CB-CE1 4.37Å; K1332-Y1334 PolarHBondContact O-N 2.92Å; Y1334-I1336 HydrophobicContact CD2-CD1 4.38Å; Y1334-I1336 HydrophobicContact CD2-CG1 4.13Å; Y1334-I1336 HydrophobicContact CE2-CD1 4.18Å; Y1334-I1336 HydrophobicContact CE2-CG1 4.34Å; Y1334-N1345 WeakPolarHBondContact CE2-ND2 3.36Å; Y1334-N1345 PolarHBondContact O-ND2 3.04Å
1335A87.3Confident82.2Confident0 Ų062.8 Ų62.80%035%0.349CS..EExtended strand (participates in β ladder)trans-139.4147.1166.900000111.2I1318 V1319 F1321 W1343 N1345I1318-A1335 WeakPolarHBondContact CA-O 3.31Å; I1318-A1335 WeakPolarHBondContact CG2-O 3.26Å; V1319-A1335 HydrophobicContact CG2-CB 3.92Å; V1319-A1335 PolarHBondContact N-O 2.93Å; V1319-A1335 PolarHBondContact O-N 2.96Å; F1321-A1335 HydrophobicContact CE2-CB 4.06Å; A1335-W1343 HydrophobicContact CB-CB 4.19Å; A1335-W1343 HydrophobicContact CB-CD2 4.35Å; A1335-W1343 HydrophobicContact CB-CE3 3.79Å; A1335-N1345 HydrophobicContact CB-CB 4.44Å
1336I88.6Confident82.1Confident54 Ų5461.8 Ų61.828%0.27734%0.341SS..EExtended strand (participates in β ladder)trans-118.4135.1-177.1-51.7177.8000109.3D1317 I1318 Y1334 N1338 W1343 T1344D1317-I1336 CarbonylContact O-C 3.48Å; D1317-I1336 WeakPolarHBondContact O-CA 3.47Å; I1318-I1336 HydrophobicContact CD1-CD1 4.2Å; I1318-I1336 HydrophobicContact CD1-CG1 4.11Å; I1318-I1336 HydrophobicContact CG1-CG1 4.02Å; I1318-I1336 HydrophobicContact CG1-CG2 4.22Å; I1318-I1336 HydrophobicContact CG2-CG1 4.2Å; Y1334-I1336 HydrophobicContact CD2-CD1 4.38Å; Y1334-I1336 HydrophobicContact CD2-CG1 4.13Å; Y1334-I1336 HydrophobicContact CE2-CD1 4.18Å; Y1334-I1336 HydrophobicContact CE2-CG1 4.34Å; I1336-N1338 PolarHBondContact O-N 3.12Å; I1336-W1343 VanDerWaalsContact C-CE3 3.41Å; I1336-W1343 CarbonylContact O-C 3.51Å; I1336-W1343 WeakPolarHBondContact O-CA 3.39Å; I1336-T1344 HydrophobicContact CB-CG2 3.88Å; I1336-T1344 PolarHBondContact N-OG1 3.23Å; I1336-T1344 WeakPolarHBondContact O-CG2 3.36Å; I1336-T1344 PolarHBondContact O-N 3.22Å
1337C86.7Confident82.4Confident0 Ų061.7 Ų61.70%034%0.337CS..BIsolated β-bridgetrans-74.2110.1175.1-179.60000110.4C1295 Y1314 R1316 D1317 W1343C1295-C1337 HydrophobicContact CB-CB 3.94Å; C1295-C1337 WeakPolarHBondContact CB-SG 3.39Å; C1295-C1337 WeakPolarHBondContact SG-CA 3.35Å; C1295-C1337 WeakPolarHBondContact SG-CB 3.06Å; C1295-C1337 CovalentContact SG-SG 2.02Å; C1295-C1337 PolarHBondContact SG-SG 2.78Å; Y1314-C1337 VanDerWaalsContact O-CB 3.27Å; Y1314-C1337 WeakPolarHBondContact O-CB 3.31Å; Y1314-C1337 PolarHBondContact O-SG 2.88Å; R1316-C1337 PolarHBondContact N-O 3.39Å; D1317-C1337 HydrophobicContact CB-CB 4.38Å; D1317-C1337 PolarHBondContact O-N 3.38Å; C1337-W1343 HydrophobicContact CB-CE3 4.3Å; C1337-W1343 HydrophobicContact CB-CH2 4.06Å; C1337-W1343 HydrophobicContact CB-CZ3 3.9Å
1338N82.8Confident82.4Confident44 Ų4459.1 Ų59.124%0.23533%0.327CS..  trans-84176.9-173.783.920.3000112.9I1336 H1340 G1341 I1342 T1344I1336-N1338 PolarHBondContact O-N 3.12Å; N1338-H1340 PolarHBondContact O-N 2.02Å; N1338-H1340 WeakPolarHBondContact OD1-CA 3.41Å; N1338-H1340 WeakPolarHBondContact OD1-CB 3.02Å; N1338-H1340 PolarHBondContact OD1-N 3.49Å; N1338-G1341 PolarHBondContact O-N 2.83Å; N1338-G1341 PolarHBondContact OD1-N 3.33Å; N1338-I1342 VanDerWaalsContact CB-O 3.3Å; N1338-I1342 WeakPolarHBondContact CB-O 3Å; N1338-I1342 PolarHBondContact N-O 2.89Å; N1338-I1342 PolarHBondContact ND2-O 2.64Å; N1338-I1342 PolarHBondContact OD1-N 2.77Å; N1338-I1342 PolarHBondContact OD1-O 3.32Å; N1338-T1344 HydrophobicContact CB-CG2 4.3Å
1339K77.7Confident82.7Confident136 Ų13662.5 Ų62.559%0.59134%0.342SS*.THydrogen-bonded Turntrans-66.1-7.8-175.773.6-178.6-174.7-1780115.1Y1315Y1315-K1339 HydrophobicContact CD2-CB 4.27Å; Y1315-K1339 HydrophobicContact CE2-CB 3.91Å
1340H77.4Confident82.9Confident131 Ų13160.8 Ų60.861%0.60633%0.334SS*.THydrogen-bonded Turntrans-107.11.8-179.7-58.2-89000113N1338 I1342N1338-H1340 PolarHBondContact O-N 2.02Å; N1338-H1340 WeakPolarHBondContact OD1-CA 3.41Å; N1338-H1340 WeakPolarHBondContact OD1-CB 3.02Å; N1338-H1340 PolarHBondContact OD1-N 3.49Å; H1340-I1342 HydrophobicContact CB-CD1 4.15Å; H1340-I1342 HydrophobicContact CB-CG1 4.34Å
1341G80.5Confident83.1Confident13 Ų1361.8 Ų61.813%0.13434%0.337CS..SBendtrans81.217.2-173.900000114.2R1294 C1295 N1338R1294-G1341 VanDerWaalsContact O-CA 3.32Å; R1294-G1341 WeakPolarHBondContact O-CA 3.25Å; C1295-G1341 WeakPolarHBondContact CA-O 3.24Å; C1295-G1341 VanDerWaalsContact SG-CA 3.59Å; C1295-G1341 PolarHBondContact SG-O 3.43Å; C1295-G1341 VanDerWaalsContact SG-O 3.33Å; N1338-G1341 PolarHBondContact O-N 2.83Å; N1338-G1341 PolarHBondContact OD1-N 3.33Å
1342I84.9Confident83.3Confident103 Ų10363.4 Ų63.453%0.52832%0.321SS..  trans-113143-176.9-55.9169.5000109.9N1338 H1340N1338-I1342 VanDerWaalsContact CB-O 3.3Å; N1338-I1342 WeakPolarHBondContact CB-O 3Å; N1338-I1342 PolarHBondContact N-O 2.89Å; N1338-I1342 PolarHBondContact ND2-O 2.64Å; N1338-I1342 PolarHBondContact OD1-N 2.77Å; N1338-I1342 PolarHBondContact OD1-O 3.32Å; H1340-I1342 HydrophobicContact CB-CD1 4.15Å; H1340-I1342 HydrophobicContact CB-CG1 4.34Å
1343W87Confident83.6Confident34 Ų3459.5 Ų59.513%0.12930%0.304CS..BIsolated β-bridgetrans-74.4135.7175.2-69.2107000111.9C1295 T1296 P1298 Y1313 V1319 A1335 I1336 C1337 N1345C1295-W1343 HydrophobicContact CB-CZ2 3.88Å; T1296-W1343 PolarHBondContact O-NE1 2.85Å; P1298-W1343 HydrophobicContact CB-CD2 4.42Å; P1298-W1343 HydrophobicContact CB-CZ2 4.41Å; P1298-W1343 HydrophobicContact CG-CZ2 3.98Å; Y1313-W1343 AromaticContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CH2 3.71Å; Y1313-W1343 HydrophobicContact CD1-CZ2 4.06Å; Y1313-W1343 HydrophobicContact CD2-CZ2 4.04Å; Y1313-W1343 HydrophobicContact CE1-CH2 4.36Å; Y1313-W1343 AromaticContact CG-CH2 3.78Å; Y1313-W1343 HydrophobicContact CG-CH2 3.78Å; Y1313-W1343 AromaticContact CG-CZ2 3.66Å; Y1313-W1343 HydrophobicContact CG-CZ2 3.66Å; V1319-W1343 HydrophobicContact CB-CZ3 4.5Å; V1319-W1343 HydrophobicContact CG1-CH2 3.79Å; V1319-W1343 HydrophobicContact CG1-CZ2 4.47Å; V1319-W1343 HydrophobicContact CG1-CZ3 4.18Å; V1319-W1343 HydrophobicContact CG2-CE3 4.1Å; V1319-W1343 HydrophobicContact CG2-CH2 4.11Å; V1319-W1343 HydrophobicContact CG2-CZ3 3.78Å; A1335-W1343 HydrophobicContact CB-CB 4.19Å; A1335-W1343 HydrophobicContact CB-CD2 4.35Å; A1335-W1343 HydrophobicContact CB-CE3 3.79Å; I1336-W1343 VanDerWaalsContact C-CE3 3.41Å; I1336-W1343 CarbonylContact O-C 3.51Å; I1336-W1343 WeakPolarHBondContact O-CA 3.39Å; C1337-W1343 HydrophobicContact CB-CE3 4.3Å; C1337-W1343 HydrophobicContact CB-CH2 4.06Å; C1337-W1343 HydrophobicContact CB-CZ3 3.9Å; W1343-N1345 PolarHBondContact O-N 2.92Å
1344T87Confident83.5Confident65 Ų6556 Ų5640%0.39929%0.286SS..SBendtrans-67.1-17.7-176.753.30000115.6I1336 N1338I1336-T1344 HydrophobicContact CB-CG2 3.88Å; I1336-T1344 PolarHBondContact N-OG1 3.23Å; I1336-T1344 WeakPolarHBondContact O-CG2 3.36Å; I1336-T1344 PolarHBondContact O-N 3.22Å; N1338-T1344 HydrophobicContact CB-CG2 4.3Å
1345N82.6Confident83.4Confident22 Ų2260.5 Ų60.512%0.11830%0.302CS..SBendtrans-143.9146.4-178.4-49.9-64000108.3K1332 Y1334 A1335 W1343K1332-N1345 HydrophobicContact CB-CB 4.45Å; K1332-N1345 HydrophobicContact CD-CB 4.03Å; K1332-N1345 WeakPolarHBondContact CD-OD1 3.29Å; K1332-N1345 WeakPolarHBondContact CE-OD1 3.36Å; K1332-N1345 PolarHBondContact NZ-OD1 3.41Å; Y1334-N1345 WeakPolarHBondContact CE2-ND2 3.36Å; Y1334-N1345 PolarHBondContact O-ND2 3.04Å; A1335-N1345 HydrophobicContact CB-CB 4.44Å; W1343-N1345 PolarHBondContact O-N 2.92Å
1346S79.2Confident83.4Confident105 Ų10563.3 Ų63.373%0.73431%0.314SS*.PPolyproline II helixtrans-64.8161.8164.641.30000111.5
1347A78.8Confident83.2Confident38 Ų3862.9 Ų62.931%0.31432%0.315SS..PPolyproline II helixtrans-67.3140.917500000111.2P1301 F1321P1301-A1347 HydrophobicContact CG-CB 4.01Å; F1321-A1347 HydrophobicContact CD1-CB 4.35Å; F1321-A1347 HydrophobicContact CE1-CB 3.68Å; F1321-A1347 HydrophobicContact CZ-CB 3.78Å
1348P83.2Confident83.2Confident4 Ų464 Ų643%0.02633%0.326CS..PPolyproline II helixtrans-80149.3-179.932.2-34.4000112.5P1301 F1321 L1329 T1330 K1332P1301-P1348 WeakPolarHBondContact CG-O 3.27Å; F1321-P1348 HydrophobicContact CB-CG 3.45Å; F1321-P1348 VanDerWaalsContact CB-CG 3.45Å; F1321-P1348 HydrophobicContact CD1-CG 4.48Å; F1321-P1348 HydrophobicContact CD2-CG 4Å; F1321-P1348 HydrophobicContact CG-CG 3.76Å; L1329-P1348 HydrophobicContact CD1-CG 4.07Å; L1329-P1348 HydrophobicContact CD2-CB 3.7Å; L1329-P1348 HydrophobicContact CD2-CG 4.06Å; L1329-P1348 HydrophobicContact CG-CB 3.99Å; L1329-P1348 HydrophobicContact CG-CG 4.07Å; T1330-P1348 CarbonylContact O-C 3.5Å; T1330-P1348 WeakPolarHBondContact O-CA 3.18Å; T1330-P1348 WeakPolarHBondContact O-CB 3.32Å; K1332-P1348 WeakPolarHBondContact O-CG 3.49Å
1349E84.4Confident83.3Confident123 Ų12366.9 Ų66.958%0.57534%0.339SS*.EExtended strand (participates in β ladder)trans-81.3130.8176.7-72.3173.5-154.700111.3T1330 L1351T1330-E1349 PolarHBondContact N-O 2.88Å; T1330-E1349 PolarHBondContact O-N 3Å; T1330-E1349 WeakPolarHBondContact OG1-CB 3.45Å; T1330-E1349 PolarHBondContact OG1-O 3.32Å; E1349-L1351 HydrophobicContact CB-CD2 4.23Å; E1349-L1351 HydrophobicContact CB-CG 4.46Å
1350C85.8Confident83.6Confident16 Ų1661 Ų6111%0.10831%0.314CS..EExtended strand (participates in β ladder)trans-96.4100.2171.1-70.40000109.4C1323 Y1327 L1328C1323-C1350 WeakPolarHBondContact CA-SG 3.44Å; C1323-C1350 HydrophobicContact CB-CB 3.93Å; C1323-C1350 WeakPolarHBondContact CB-SG 3.34Å; C1323-C1350 VanDerWaalsContact SG-CA 3.5Å; C1323-C1350 WeakPolarHBondContact SG-CB 3.17Å; C1323-C1350 CovalentContact SG-SG 2.04Å; C1323-C1350 PolarHBondContact SG-SG 3.43Å; Y1327-C1350 HydrophobicContact CD1-CB 4.25Å; Y1327-C1350 WeakPolarHBondContact CD1-O 3.39Å; Y1327-C1350 HydrophobicContact CG-CB 4.33Å; L1328-C1350 WeakPolarHBondContact O-CA 3.39Å
1351L79.6Confident84Confident66 Ų6660 Ų6035%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-93.5139.9-176.4-59.5-177.1000111.7Y1327 L1328 T1330 E1349Y1327-L1351 CarbonylContact C-O 3.57Å; Y1327-L1351 VanDerWaalsContact CA-O 3.29Å; Y1327-L1351 WeakPolarHBondContact CA-O 3.16Å; L1328-L1351 PolarHBondContact N-O 3Å; L1328-L1351 PolarHBondContact O-N 3.27Å; T1330-L1351 HydrophobicContact CG2-CD1 3.98Å; T1330-L1351 HydrophobicContact CG2-CG 4.35Å; E1349-L1351 HydrophobicContact CB-CD2 4.23Å; E1349-L1351 HydrophobicContact CB-CG 4.46Å
1352R82.7Confident84.2Confident106 Ų10664.7 Ų64.740%0.433%0.334SS..EExtended strand (participates in β ladder)trans-71.4152.4170.1-69.5-170.7174.3-139.1-0.1110.8Y1327 T1401Y1327-R1352 HydrophobicContact CD1-CG 3.66Å; Y1327-R1352 HydrophobicContact CE1-CG 3.44Å; Y1327-R1352 VanDerWaalsContact CE1-CG 3.44Å; Y1327-R1352 PolarHBondContact OH-NE 2.96Å; Y1327-R1352 PolarHBondContact OH-NH2 2.7Å; R1352-T1401 WeakPolarHBondContact CD-O 3.43Å; R1352-T1401 PolarHBondContact NH1-O 3.43Å
1353F85Confident84.3Confident31 Ų3160 Ų6014%0.13631%0.312CS..EExtended strand (participates in β ladder)trans-141.4164.6177.968.5-87.8000111.1L1328 W1355 Y1373L1328-F1353 HydrophobicContact CB-CD1 4.16Å; F1353-W1355 AromaticContact CE2-CD2 3.89Å; F1353-W1355 HydrophobicContact CE2-CD2 3.89Å; F1353-W1355 AromaticContact CE2-CE2 3.55Å; F1353-W1355 HydrophobicContact CE2-CE3 4.2Å; F1353-W1355 AromaticContact CE2-CH2 3.93Å; F1353-W1355 HydrophobicContact CE2-CH2 3.93Å; F1353-W1355 AromaticContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ3 4.21Å; F1353-W1355 AromaticContact CE2-NE1 3.98Å; F1353-W1355 HydrophobicContact CZ-CH2 4.19Å; F1353-W1355 AromaticContact CZ-CZ2 3.73Å; F1353-W1355 HydrophobicContact CZ-CZ2 3.73Å; F1353-Y1373 CarbonylContact C-O 3.57Å; F1353-Y1373 VanDerWaalsContact CA-O 3.31Å; F1353-Y1373 WeakPolarHBondContact CA-O 3.36Å; F1353-Y1373 WeakPolarHBondContact CB-O 3.31Å
1354C84.9Confident84.4Confident2 Ų260.6 Ų60.61%0.01432%0.317CS..EExtended strand (participates in β ladder)trans-112.5141.1173.8-55.70000110.9Y1372 Y1373 C1398 G1402 W1404C1354-Y1372 WeakPolarHBondContact O-CA 3.32Å; C1354-Y1373 PolarHBondContact N-O 2.99Å; C1354-Y1373 PolarHBondContact O-N 2.89Å; C1354-C1398 HydrophobicContact CB-CB 3.79Å; C1354-C1398 WeakPolarHBondContact CB-SG 3.08Å; C1354-C1398 PolarHBondContact N-SG 3.14Å; C1354-C1398 VanDerWaalsContact N-SG 3.43Å; C1354-C1398 WeakPolarHBondContact SG-CA 3.41Å; C1354-C1398 WeakPolarHBondContact SG-CB 3.38Å; C1354-C1398 CovalentContact SG-SG 2.04Å; C1354-C1398 PolarHBondContact SG-SG 2.84Å; C1354-G1402 VanDerWaalsContact SG-C 3.51Å; C1354-W1404 HydrophobicContact CB-CD2 4.33Å; C1354-W1404 HydrophobicContact CB-CH2 4.45Å; C1354-W1404 HydrophobicContact CB-CZ2 3.64Å
1355W85.3Confident84.4Confident177 Ų17757.9 Ų57.967%0.6730%0.3SS*.  trans-76.6160.2167.3-62.4108000111.1F1353 A1371 W1404F1353-W1355 AromaticContact CE2-CD2 3.89Å; F1353-W1355 HydrophobicContact CE2-CD2 3.89Å; F1353-W1355 AromaticContact CE2-CE2 3.55Å; F1353-W1355 HydrophobicContact CE2-CE3 4.2Å; F1353-W1355 AromaticContact CE2-CH2 3.93Å; F1353-W1355 HydrophobicContact CE2-CH2 3.93Å; F1353-W1355 AromaticContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ2 3.59Å; F1353-W1355 HydrophobicContact CE2-CZ3 4.21Å; F1353-W1355 AromaticContact CE2-NE1 3.98Å; F1353-W1355 HydrophobicContact CZ-CH2 4.19Å; F1353-W1355 AromaticContact CZ-CZ2 3.73Å; F1353-W1355 HydrophobicContact CZ-CZ2 3.73Å; W1355-A1371 WeakPolarHBondContact CZ3-O 3.41Å; W1355-W1404 WeakPolarHBondContact O-CZ2 3.21Å; W1355-W1404 PolarHBondContact O-NE1 3.15Å
1356F87Confident84.4Confident60 Ų6061 Ų6126%0.26332%0.32SS..  trans-60.8129.4176.6-175.5-116.8000111.8Q1359 P1369 Y1373 I1379F1356-Q1359 HydrophobicContact CE1-CG 4.28Å; F1356-Q1359 HydrophobicContact CZ-CG 3.95Å; F1356-P1369 HydrophobicContact CD1-CB 4.13Å; F1356-P1369 HydrophobicContact CD1-CG 4.46Å; F1356-P1369 HydrophobicContact CD2-CB 4.03Å; F1356-P1369 HydrophobicContact CE1-CB 4.12Å; F1356-P1369 HydrophobicContact CE1-CG 3.96Å; F1356-P1369 HydrophobicContact CE2-CB 4.04Å; F1356-P1369 HydrophobicContact CE2-CG 4.11Å; F1356-P1369 HydrophobicContact CG-CB 4.09Å; F1356-P1369 HydrophobicContact CZ-CB 4.08Å; F1356-P1369 HydrophobicContact CZ-CG 3.77Å; F1356-Y1373 HydrophobicContact CB-CE2 4.07Å; F1356-Y1373 AromaticContact CD2-CE2 3.81Å; F1356-Y1373 HydrophobicContact CD2-CE2 3.81Å; F1356-Y1373 AromaticContact CD2-CZ 3.93Å; F1356-Y1373 WeakPolarHBondContact CD2-OH 3.01Å; F1356-Y1373 HydrophobicContact CG-CE2 4.44Å; F1356-I1379 HydrophobicContact CD2-CD1 3.9Å; F1356-I1379 HydrophobicContact CE2-CD1 4.01Å
1357P85.3Confident84.2Confident44 Ų4458 Ų5829%0.28630%0.3SS..  trans-85.1-13.3-174.330.9-32.2000115I1379 T1396 W1404 V1408P1357-I1379 VanDerWaalsContact CD-CD1 3.47Å; P1357-I1379 HydrophobicContact CG-CD1 3.84Å; P1357-T1396 HydrophobicContact CG-CG2 4.43Å; P1357-W1404 HydrophobicContact CB-CD2 4.49Å; P1357-W1404 HydrophobicContact CB-CG 4.18Å; P1357-W1404 HydrophobicContact CG-CD2 4.07Å; P1357-W1404 HydrophobicContact CG-CG 4.27Å; P1357-W1404 HydrophobicContact CG-CZ2 4.26Å; P1357-V1408 HydrophobicContact CB-CG2 4.11Å; P1357-V1408 VanDerWaalsContact O-CG2 3.31Å; P1357-V1408 WeakPolarHBondContact O-CG2 3.31Å
1358G86.4Confident84.1Confident23 Ų2361.4 Ų61.424%0.23732%0.318CS..  trans115.8174.1-179.300000114.6Y1381G1358-Y1381 WeakPolarHBondContact O-CE1 3.5Å; G1358-Y1381 PolarHBondContact O-OH 3.32Å
1359Q84.3Confident84Confident106 Ų10664.6 Ų64.650%0.49534%0.339SS..  trans-111.6149.9176.6-73.5167.2-63.600111F1356 D1364F1356-Q1359 HydrophobicContact CE1-CG 4.28Å; F1356-Q1359 HydrophobicContact CZ-CG 3.95Å; Q1359-D1364 PolarHBondContact NE2-OD1 3.18Å
1360P84.8Confident83.7Confident12 Ų1263.2 Ų63.28%0.07833%0.331CS..  trans-70149.4173.6-16.931.4000112.4F1362 G1363 Y1381 V1408 P1409P1360-F1362 PolarHBondContact O-N 3.1Å; P1360-G1363 PolarHBondContact O-N 2.6Å; P1360-G1363 VanDerWaalsContact O-N 3.12Å; P1360-Y1381 VanDerWaalsContact CD-CD1 3.46Å; P1360-Y1381 HydrophobicContact CG-CD1 3.65Å; P1360-Y1381 HydrophobicContact CG-CE1 4.16Å; P1360-Y1381 HydrophobicContact CG-CG 4.21Å; P1360-V1408 HydrophobicContact CG-CG1 3.96Å; P1360-P1409 VanDerWaalsContact CB-O 3.3Å; P1360-P1409 WeakPolarHBondContact CB-O 3.26Å; P1360-P1409 HydrophobicContact CG-CG 4.27Å
1361V84.5Confident83Confident110 Ų11066.1 Ų66.167%0.66736%0.356SS*.THydrogen-bonded Turntrans-65.8130.5162.9-169.70000108.5G1363 C1411V1361-G1363 PolarHBondContact O-N 2.84Å; V1361-C1411 WeakPolarHBondContact O-CB 3.38Å
1362F86.3Confident83.1Confident111 Ų11168.1 Ų68.149%0.48736%0.36SS..THydrogen-bonded Turntrans59.917-170.5-47.7-64.5000115.6P1360 I1384 Y1388 C1411P1360-F1362 PolarHBondContact O-N 3.1Å; F1362-I1384 PolarHBondContact O-N 2.79Å; F1362-Y1388 HydrophobicContact CB-CD1 3.96Å; F1362-Y1388 HydrophobicContact CB-CD2 4.24Å; F1362-Y1388 HydrophobicContact CB-CE1 3.9Å; F1362-Y1388 HydrophobicContact CB-CE2 4.18Å; F1362-Y1388 HydrophobicContact CB-CG 4.14Å; F1362-Y1388 HydrophobicContact CD1-CE1 4.22Å; F1362-Y1388 HydrophobicContact CD1-CE2 4.4Å; F1362-Y1388 AromaticContact CD1-CZ 3.84Å; F1362-Y1388 AromaticContact CD2-CD1 3.96Å; F1362-Y1388 HydrophobicContact CD2-CD1 3.96Å; F1362-Y1388 AromaticContact CD2-CE1 3.35Å; F1362-Y1388 HydrophobicContact CD2-CE1 3.35Å; F1362-Y1388 AromaticContact CD2-CZ 3.85Å; F1362-Y1388 AromaticContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CG-CD1 4.11Å; F1362-Y1388 AromaticContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE2 4.22Å; F1362-Y1388 AromaticContact CG-CZ 3.62Å; F1362-C1411 HydrophobicContact CB-CB 4.17Å
1363G86.5Confident83.3Confident6 Ų663.1 Ų63.16%0.06234%0.341CS..EExtended strand (participates in β ladder)trans-131.8171.7173.400000112.9P1360 V1361 Y1382P1360-G1363 PolarHBondContact O-N 2.6Å; P1360-G1363 VanDerWaalsContact O-N 3.12Å; V1361-G1363 PolarHBondContact O-N 2.84Å; G1363-Y1382 CarbonylContact C-O 3.5Å; G1363-Y1382 WeakPolarHBondContact CA-O 3.5Å
1364D88.6Confident83.2Confident45 Ų4565.2 Ų65.224%0.24135%0.353CS..EExtended strand (participates in β ladder)trans-153.1176.5-176-171.820.9000110.1Q1359 Y1381 Y1382 I1384Q1359-D1364 PolarHBondContact NE2-OD1 3.18Å; D1364-Y1381 CarbonylContact O-C 3.42Å; D1364-Y1381 VanDerWaalsContact O-CA 3.32Å; D1364-Y1381 WeakPolarHBondContact O-CA 3.48Å; D1364-Y1382 HydrophobicContact CB-CD2 4.45Å; D1364-Y1382 HydrophobicContact CB-CE1 4.42Å; D1364-Y1382 HydrophobicContact CB-CE2 3.72Å; D1364-Y1382 PolarHBondContact N-O 3.11Å; D1364-Y1382 PolarHBondContact O-N 2.86Å; D1364-Y1382 PolarHBondContact OD2-OH 3.23Å; D1364-I1384 HydrophobicContact CB-CD1 4.28Å; D1364-I1384 HydrophobicContact CB-CG1 4.06Å
1365T87.8Confident83.1Confident8 Ų868.8 Ų68.85%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-115.3141-173.445.90000112.6S1367 I1379 V1380 Y1381T1365-S1367 PolarHBondContact O-N 2.84Å; T1365-S1367 PolarHBondContact OG1-O 3.26Å; T1365-S1367 VanDerWaalsContact OG1-O 3.14Å; T1365-I1379 HydrophobicContact CG2-CG2 3.48Å; T1365-I1379 VanDerWaalsContact CG2-CG2 3.48Å; T1365-V1380 VanDerWaalsContact CA-O 3.3Å; T1365-V1380 WeakPolarHBondContact CA-O 3.32Å; T1365-Y1381 HydrophobicContact CG2-CD1 3.37Å; T1365-Y1381 HydrophobicContact CG2-CE1 3.26Å; T1365-Y1381 HydrophobicContact CG2-CG 4.35Å
1366T82.3Confident83Confident87 Ų8762.1 Ų62.153%0.53436%0.361SS..SBendtrans-65.5-0.8-177.764.80000115.4V1380 Y1382T1366-V1380 HydrophobicContact CG2-CB 3.83Å; T1366-V1380 HydrophobicContact CG2-CG1 3.89Å; T1366-V1380 PolarHBondContact N-O 2.8Å; T1366-Y1382 HydrophobicContact CG2-CD1 3.86Å; T1366-Y1382 HydrophobicContact CG2-CE1 4.17Å
1367S75.8Confident83Confident44 Ų4461.2 Ų61.231%0.30836%0.359SS..SBendtrans-152149177.354.20000110.1T1365T1365-S1367 PolarHBondContact O-N 2.84Å; T1365-S1367 PolarHBondContact OG1-O 3.26Å; T1365-S1367 VanDerWaalsContact OG1-O 3.14Å
1368P76.6Confident83.2Confident109 Ų10962.1 Ų62.171%0.70836%0.364SS*.PPolyproline II helixtrans-60.5149.6179.6-24.834.9000113.5K1370P1368-K1370 PolarHBondContact O-N 3.45Å
1369P80.2Confident83.3Confident71 Ų7161 Ų6146%0.46135%0.352SS..PPolyproline II helixtrans-56.7122176.6-26.835.6000113.2F1356 Y1373F1356-P1369 HydrophobicContact CD1-CB 4.13Å; F1356-P1369 HydrophobicContact CD1-CG 4.46Å; F1356-P1369 HydrophobicContact CD2-CB 4.03Å; F1356-P1369 HydrophobicContact CE1-CB 4.12Å; F1356-P1369 HydrophobicContact CE1-CG 3.96Å; F1356-P1369 HydrophobicContact CE2-CB 4.04Å; F1356-P1369 HydrophobicContact CE2-CG 4.11Å; F1356-P1369 HydrophobicContact CG-CB 4.09Å; F1356-P1369 HydrophobicContact CZ-CB 4.08Å; F1356-P1369 HydrophobicContact CZ-CG 3.77Å; P1369-Y1373 WeakPolarHBondContact CA-OH 3.38Å
1370K78.1Confident83.5Confident93 Ų9358.3 Ų58.340%0.40434%0.343SS..PPolyproline II helixtrans-82.5150.2168.8-55.5-178.5-168.1176.30109.8P1368 Y1372 Y1373 D1377P1368-K1370 PolarHBondContact O-N 3.45Å; K1370-Y1372 VanDerWaalsContact CB-O 3.24Å; K1370-Y1372 WeakPolarHBondContact CB-O 3.49Å; K1370-Y1372 PolarHBondContact O-N 3.31Å; K1370-Y1373 HydrophobicContact CB-CD1 4.43Å; K1370-Y1373 HydrophobicContact CB-CD2 4.22Å; K1370-Y1373 HydrophobicContact CB-CE1 4.02Å; K1370-Y1373 HydrophobicContact CB-CE2 3.75Å; K1370-Y1373 HydrophobicContact CD-CD1 3.8Å; K1370-Y1373 HydrophobicContact CD-CE1 3.73Å; K1370-Y1373 HydrophobicContact CD-CG 4.4Å; K1370-Y1373 HydrophobicContact CG-CD1 4.32Å; K1370-Y1373 HydrophobicContact CG-CE1 3.79Å; K1370-Y1373 HydrophobicContact CG-CE2 4.43Å; K1370-Y1373 PolarHBondContact N-OH 2.88Å; K1370-Y1373 WeakPolarHBondContact O-CE2 3.24Å; K1370-D1377 IonicContact NZ-OD1 2.67Å; K1370-D1377 PolarHBondContact NZ-OD1 2.92Å; K1370-D1377 IonicContact NZ-OD2 3.77Å; K1370-D1377 PolarHBondContact NZ-OD2 3.49Å
1371A71.7Confident83.9Confident77 Ų7758.1 Ų58.164%0.63634%0.341SS*.SBendtrans-63.8-29.5172.200000113W1355W1355-A1371 WeakPolarHBondContact CZ3-O 3.41Å
1372Y82Confident84.1Confident108 Ų10857.6 Ų57.642%0.42433%0.328SS..  trans-150.2156.8172.959-91.3000110.2L1328 C1354 K1370 L1374L1328-Y1372 HydrophobicContact CD2-CD2 4.14Å; L1328-Y1372 HydrophobicContact CD2-CE2 3.66Å; C1354-Y1372 WeakPolarHBondContact O-CA 3.32Å; K1370-Y1372 VanDerWaalsContact CB-O 3.24Å; K1370-Y1372 WeakPolarHBondContact CB-O 3.49Å; K1370-Y1372 PolarHBondContact O-N 3.31Å; Y1372-L1374 HydrophobicContact CD2-CD2 4.37Å; Y1372-L1374 HydrophobicContact CE2-CD2 4.33Å
1373Y85.6Confident84.4Confident2 Ų253.7 Ų53.71%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-124.3133.9178-66.9-97.1000109.3F1353 C1354 F1356 P1369 K1370 D1377 I1379 W1404F1353-Y1373 CarbonylContact C-O 3.57Å; F1353-Y1373 VanDerWaalsContact CA-O 3.31Å; F1353-Y1373 WeakPolarHBondContact CA-O 3.36Å; F1353-Y1373 WeakPolarHBondContact CB-O 3.31Å; C1354-Y1373 PolarHBondContact N-O 2.99Å; C1354-Y1373 PolarHBondContact O-N 2.89Å; F1356-Y1373 HydrophobicContact CB-CE2 4.07Å; F1356-Y1373 AromaticContact CD2-CE2 3.81Å; F1356-Y1373 HydrophobicContact CD2-CE2 3.81Å; F1356-Y1373 AromaticContact CD2-CZ 3.93Å; F1356-Y1373 WeakPolarHBondContact CD2-OH 3.01Å; F1356-Y1373 HydrophobicContact CG-CE2 4.44Å; P1369-Y1373 WeakPolarHBondContact CA-OH 3.38Å; K1370-Y1373 HydrophobicContact CB-CD1 4.43Å; K1370-Y1373 HydrophobicContact CB-CD2 4.22Å; K1370-Y1373 HydrophobicContact CB-CE1 4.02Å; K1370-Y1373 HydrophobicContact CB-CE2 3.75Å; K1370-Y1373 HydrophobicContact CD-CD1 3.8Å; K1370-Y1373 HydrophobicContact CD-CE1 3.73Å; K1370-Y1373 HydrophobicContact CD-CG 4.4Å; K1370-Y1373 HydrophobicContact CG-CD1 4.32Å; K1370-Y1373 HydrophobicContact CG-CE1 3.79Å; K1370-Y1373 HydrophobicContact CG-CE2 4.43Å; K1370-Y1373 PolarHBondContact N-OH 2.88Å; K1370-Y1373 WeakPolarHBondContact O-CE2 3.24Å; Y1373-D1377 VanDerWaalsContact CA-OD2 3.31Å; Y1373-D1377 WeakPolarHBondContact CA-OD2 3.25Å; Y1373-D1377 HydrophobicContact CD1-CB 3.96Å; Y1373-D1377 HydrophobicContact CG-CB 4.46Å; Y1373-I1379 HydrophobicContact CD1-CD1 4.33Å; Y1373-I1379 HydrophobicContact CD1-CG1 4.19Å; Y1373-I1379 HydrophobicContact CE1-CD1 3.81Å; Y1373-I1379 HydrophobicContact CE1-CG1 3.64Å; Y1373-I1379 HydrophobicContact CE2-CD1 4.04Å; Y1373-W1404 AromaticContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CZ2 4.45Å; Y1373-W1404 AromaticContact CD2-CH2 3.98Å; Y1373-W1404 HydrophobicContact CD2-CH2 3.98Å; Y1373-W1404 AromaticContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CE2-CZ2 4.41Å; Y1373-W1404 AromaticContact CG-CH2 3.56Å; Y1373-W1404 HydrophobicContact CG-CH2 3.56Å; Y1373-W1404 AromaticContact CG-CZ2 3.75Å; Y1373-W1404 HydrophobicContact CG-CZ2 3.75Å
1374L83.5Confident84.4Confident74 Ų7459 Ų5939%0.38734%0.34SS..EExtended strand (participates in β ladder)trans-81.1159.7-179.5-64.3177.5000111L1328 Y1372 G1376 D1377 C1398L1328-L1374 HydrophobicContact CD2-CD2 4.26Å; Y1372-L1374 HydrophobicContact CD2-CD2 4.37Å; Y1372-L1374 HydrophobicContact CE2-CD2 4.33Å; L1374-G1376 PolarHBondContact O-N 3.07Å; L1374-G1376 VanDerWaalsContact O-N 3.13Å; L1374-D1377 PolarHBondContact N-OD2 2.89Å; L1374-D1377 VanDerWaalsContact O-CB 3.32Å; L1374-D1377 WeakPolarHBondContact O-CB 3.45Å; L1374-D1377 PolarHBondContact O-N 2.83Å; L1374-C1398 WeakPolarHBondContact O-CB 3.29Å
1375V82.2Confident84.2Confident78 Ų7859 Ų5947%0.47334%0.342SS..THydrogen-bonded Turntrans-55122.1173.1177.10000109.6
1376G83.8Confident83.9Confident36 Ų3665.3 Ų65.337%0.37138%0.376SS..THydrogen-bonded Turntrans100.8-20.3-17500000115.5L1374 C1398L1374-G1376 PolarHBondContact O-N 3.07Å; L1374-G1376 VanDerWaalsContact O-N 3.13Å; G1376-C1398 PolarHBondContact N-O 3.41Å
1377D87.4Confident83.9Confident42 Ų4268.4 Ų68.423%0.22538%0.382CS..  trans-56.5142.2172.6-97.3-30.5000110.4K1370 Y1373 L1374 R1397 C1398K1370-D1377 IonicContact NZ-OD1 2.67Å; K1370-D1377 PolarHBondContact NZ-OD1 2.92Å; K1370-D1377 IonicContact NZ-OD2 3.77Å; K1370-D1377 PolarHBondContact NZ-OD2 3.49Å; Y1373-D1377 VanDerWaalsContact CA-OD2 3.31Å; Y1373-D1377 WeakPolarHBondContact CA-OD2 3.25Å; Y1373-D1377 HydrophobicContact CD1-CB 3.96Å; Y1373-D1377 HydrophobicContact CG-CB 4.46Å; L1374-D1377 PolarHBondContact N-OD2 2.89Å; L1374-D1377 VanDerWaalsContact O-CB 3.32Å; L1374-D1377 WeakPolarHBondContact O-CB 3.45Å; L1374-D1377 PolarHBondContact O-N 2.83Å; D1377-R1397 CarbonylContact O-C 3.6Å; D1377-R1397 WeakPolarHBondContact O-CA 3.01Å; D1377-C1398 PolarHBondContact O-N 3.42Å
1378T88.2Confident84.5Confident62 Ų6269.2 Ų69.238%0.3838%0.379SS..EExtended strand (participates in β ladder)trans-120.7142.9176.750.10000111.3V1395 T1396 R1397T1378-V1395 HydrophobicContact CG2-CG1 4.2Å; T1378-T1396 CarbonylContact C-O 3.6Å; T1378-T1396 VanDerWaalsContact CA-O 3.3Å; T1378-T1396 WeakPolarHBondContact CA-O 3.34Å; T1378-R1397 HydrophobicContact CG2-CB 3.92Å; T1378-R1397 HydrophobicContact CG2-CG 3.86Å
1379I88Confident84.9Confident1 Ų170.9 Ų70.91%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-111.1129.2168.2-62.2171.6000106.8F1356 P1357 T1365 Y1373 Y1381 V1395 T1396 W1404F1356-I1379 HydrophobicContact CD2-CD1 3.9Å; F1356-I1379 HydrophobicContact CE2-CD1 4.01Å; P1357-I1379 VanDerWaalsContact CD-CD1 3.47Å; P1357-I1379 HydrophobicContact CG-CD1 3.84Å; T1365-I1379 HydrophobicContact CG2-CG2 3.48Å; T1365-I1379 VanDerWaalsContact CG2-CG2 3.48Å; Y1373-I1379 HydrophobicContact CD1-CD1 4.33Å; Y1373-I1379 HydrophobicContact CD1-CG1 4.19Å; Y1373-I1379 HydrophobicContact CE1-CD1 3.81Å; Y1373-I1379 HydrophobicContact CE1-CG1 3.64Å; Y1373-I1379 HydrophobicContact CE2-CD1 4.04Å; I1379-Y1381 HydrophobicContact CG2-CD2 4.46Å; I1379-Y1381 HydrophobicContact CG2-CE1 4.11Å; I1379-Y1381 HydrophobicContact CG2-CE2 3.99Å; I1379-V1395 WeakPolarHBondContact O-CA 3.28Å; I1379-T1396 HydrophobicContact CB-CG2 4.01Å; I1379-T1396 PolarHBondContact N-O 2.03Å; I1379-T1396 PolarHBondContact O-N 2.55Å; I1379-W1404 HydrophobicContact CD1-CH2 3.39Å; I1379-W1404 HydrophobicContact CD1-CZ2 3.75Å; I1379-W1404 HydrophobicContact CD1-CZ3 3.91Å; I1379-W1404 HydrophobicContact CG1-CH2 3.8Å; I1379-W1404 HydrophobicContact CG1-CZ3 4.05Å
1380V90.3Very high85.3Confident49 Ų4969.6 Ų69.630%0.29736%0.363SS..EExtended strand (participates in β ladder)trans-110.2133.3175-175.20000109T1365 T1366 A1394 V1395T1365-V1380 VanDerWaalsContact CA-O 3.3Å; T1365-V1380 WeakPolarHBondContact CA-O 3.32Å; T1366-V1380 HydrophobicContact CG2-CB 3.83Å; T1366-V1380 HydrophobicContact CG2-CG1 3.89Å; T1366-V1380 PolarHBondContact N-O 2.8Å; V1380-A1394 CarbonylContact C-O 3.47Å; V1380-A1394 WeakPolarHBondContact CA-O 3.42Å; V1380-V1395 HydrophobicContact CG1-CG2 4.28Å; V1380-V1395 HydrophobicContact CG2-CG1 4.24Å; V1380-V1395 HydrophobicContact CG2-CG2 4.11Å
1381Y91.5Very high85.8Confident7 Ų769.6 Ų69.63%0.02737%0.365CS..EExtended strand (participates in β ladder)trans-106.6149.4-179.8-64.8-77.2000111.9G1358 P1360 D1364 T1365 I1379 A1394 T1396 V1408 P1409G1358-Y1381 WeakPolarHBondContact O-CE1 3.5Å; G1358-Y1381 PolarHBondContact O-OH 3.32Å; P1360-Y1381 VanDerWaalsContact CD-CD1 3.46Å; P1360-Y1381 HydrophobicContact CG-CD1 3.65Å; P1360-Y1381 HydrophobicContact CG-CE1 4.16Å; P1360-Y1381 HydrophobicContact CG-CG 4.21Å; D1364-Y1381 CarbonylContact O-C 3.42Å; D1364-Y1381 VanDerWaalsContact O-CA 3.32Å; D1364-Y1381 WeakPolarHBondContact O-CA 3.48Å; T1365-Y1381 HydrophobicContact CG2-CD1 3.37Å; T1365-Y1381 HydrophobicContact CG2-CE1 3.26Å; T1365-Y1381 HydrophobicContact CG2-CG 4.35Å; I1379-Y1381 HydrophobicContact CG2-CD2 4.46Å; I1379-Y1381 HydrophobicContact CG2-CE1 4.11Å; I1379-Y1381 HydrophobicContact CG2-CE2 3.99Å; Y1381-A1394 PolarHBondContact N-O 3Å; Y1381-T1396 HydrophobicContact CE2-CG2 3.85Å; Y1381-V1408 HydrophobicContact CE1-CG1 4.05Å; Y1381-P1409 HydrophobicContact CD1-CG 4.49Å; Y1381-P1409 HydrophobicContact CD2-CG 3.54Å; Y1381-P1409 VanDerWaalsContact CE2-CD 3.49Å; Y1381-P1409 HydrophobicContact CE2-CG 4.24Å; Y1381-P1409 HydrophobicContact CG-CG 3.68Å
1382Y90.6Very high86.5Confident100 Ų10069 Ų6939%0.39237%0.366SS..EExtended strand (participates in β ladder)trans-136.7162.2167.758-93.9000111.1G1363 D1364 T1366G1363-Y1382 CarbonylContact C-O 3.5Å; G1363-Y1382 WeakPolarHBondContact CA-O 3.5Å; D1364-Y1382 HydrophobicContact CB-CD2 4.45Å; D1364-Y1382 HydrophobicContact CB-CE1 4.42Å; D1364-Y1382 HydrophobicContact CB-CE2 3.72Å; D1364-Y1382 PolarHBondContact N-O 3.11Å; D1364-Y1382 PolarHBondContact O-N 2.86Å; D1364-Y1382 PolarHBondContact OD2-OH 3.23Å; T1366-Y1382 HydrophobicContact CG2-CD1 3.86Å; T1366-Y1382 HydrophobicContact CG2-CE1 4.17Å
1383C90.9Very high86.9Confident29 Ų2967.8 Ų67.820%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-91.6138.1170.6-58.20000110.2S1385 C1411C1383-S1385 PolarHBondContact O-N 2.96Å; C1383-C1411 WeakPolarHBondContact CA-SG 3.32Å; C1383-C1411 HydrophobicContact CB-CB 3.87Å; C1383-C1411 WeakPolarHBondContact CB-SG 3.46Å; C1383-C1411 WeakPolarHBondContact SG-CB 3.48Å; C1383-C1411 CovalentContact SG-SG 2.04Å; C1383-C1411 PolarHBondContact SG-SG 3.09Å
1384I88.2Confident86.9Confident118 Ų11869.4 Ų69.461%0.60538%0.381SS*.SBendtrans-69.9-21.5-169.8-64.3165.9000112.4F1362 D1364F1362-I1384 PolarHBondContact O-N 2.79Å; D1364-I1384 HydrophobicContact CB-CD1 4.28Å; D1364-I1384 HydrophobicContact CB-CG1 4.06Å
1385S83.7Confident87.3Confident43 Ų4368.8 Ų68.830%0.30138%0.379SS..SBendtrans-139.3144.4176.8170.10000111C1383 K1387 Y1388C1383-S1385 PolarHBondContact O-N 2.96Å; S1385-K1387 PolarHBondContact O-N 3.09Å; S1385-K1387 PolarHBondContact OG-N 2.76Å; S1385-Y1388 PolarHBondContact O-N 2.8Å
1386N82.1Confident87.7Confident141 Ų14165 Ų6575%0.75436%0.357SS*.THydrogen-bonded Turntrans-55.7-16.9171.963.4-19.6000114.6Y1388N1386-Y1388 PolarHBondContact O-N 3.05Å
1387K82.3Confident88Confident153 Ų15370.1 Ų70.167%0.66537%0.365SS*.THydrogen-bonded Turntrans-63.7-17.3170.7-65.6-175.4178.2-175.60113.3S1385 P1413 Q1414S1385-K1387 PolarHBondContact O-N 3.09Å; S1385-K1387 PolarHBondContact OG-N 2.76Å; K1387-P1413 WeakPolarHBondContact O-CA 3.46Å; K1387-Q1414 PolarHBondContact O-N 3.07Å
1388Y87.1Confident88.1Confident60 Ų6068.1 Ų68.124%0.23535%0.354CS..EExtended strand (participates in β ladder)trans-114.9137.5-179.2-56.7-95.9000111.4F1362 S1385 N1386 C1411 K1412 P1413F1362-Y1388 HydrophobicContact CB-CD1 3.96Å; F1362-Y1388 HydrophobicContact CB-CD2 4.24Å; F1362-Y1388 HydrophobicContact CB-CE1 3.9Å; F1362-Y1388 HydrophobicContact CB-CE2 4.18Å; F1362-Y1388 HydrophobicContact CB-CG 4.14Å; F1362-Y1388 HydrophobicContact CD1-CE1 4.22Å; F1362-Y1388 HydrophobicContact CD1-CE2 4.4Å; F1362-Y1388 AromaticContact CD1-CZ 3.84Å; F1362-Y1388 AromaticContact CD2-CD1 3.96Å; F1362-Y1388 HydrophobicContact CD2-CD1 3.96Å; F1362-Y1388 AromaticContact CD2-CE1 3.35Å; F1362-Y1388 HydrophobicContact CD2-CE1 3.35Å; F1362-Y1388 AromaticContact CD2-CZ 3.85Å; F1362-Y1388 AromaticContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CE2-CE1 3.87Å; F1362-Y1388 HydrophobicContact CG-CD1 4.11Å; F1362-Y1388 AromaticContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE1 3.56Å; F1362-Y1388 HydrophobicContact CG-CE2 4.22Å; F1362-Y1388 AromaticContact CG-CZ 3.62Å; S1385-Y1388 PolarHBondContact O-N 2.8Å; N1386-Y1388 PolarHBondContact O-N 3.05Å; Y1388-C1411 WeakPolarHBondContact CD1-O 3.48Å; Y1388-K1412 CarbonylContact C-O 3.56Å; Y1388-K1412 VanDerWaalsContact CA-O 3.26Å; Y1388-K1412 WeakPolarHBondContact CA-O 3.4Å; Y1388-P1413 HydrophobicContact CD1-CB 4.25Å; Y1388-P1413 HydrophobicContact CE1-CB 4.25Å
1389K85.7Confident88Confident144 Ų14467.2 Ų67.263%0.62635%0.349SS*.EExtended strand (participates in β ladder)trans-103.1139.5170.9-170.8174.3179.7178.70109.4K1412 Q1414K1389-K1412 PolarHBondContact N-O 2.86Å; K1389-K1412 PolarHBondContact O-N 3.34Å; K1389-Q1414 HydrophobicContact CB-CG 3.91Å
1390M88.3Confident87.6Confident44 Ų4469.7 Ų69.722%0.21737%0.374CS..EExtended strand (participates in β ladder)trans-74.7140.9174.6-170.5159.2-72.900111.4A1394 P1409 S1410M1390-A1394 HydrophobicContact SD-CB 3.59Å; M1390-A1394 VanDerWaalsContact SD-CB 3.59Å; M1390-P1409 HydrophobicContact CE-CG 4.14Å; M1390-P1409 HydrophobicContact CG-CB 3.9Å; M1390-P1409 HydrophobicContact CG-CG 4.39Å; M1390-P1409 HydrophobicContact SD-CB 3.91Å; M1390-P1409 HydrophobicContact SD-CG 3.77Å; M1390-S1410 CarbonylContact C-O 3.45Å; M1390-S1410 WeakPolarHBondContact CA-O 3.37Å
1391E88.6Confident87.3Confident94 Ų9471.1 Ų71.144%0.43938%0.383SS..EExtended strand (participates in β ladder)trans-129.8132.2175.6-175.3-172.5-114.600108.7P1409 S1410 K1412E1391-P1409 WeakPolarHBondContact O-CA 3.49Å; E1391-P1409 VanDerWaalsContact O-CB 3.29Å; E1391-P1409 WeakPolarHBondContact O-CB 3.43Å; E1391-S1410 PolarHBondContact N-O 2.73Å; E1391-S1410 PolarHBondContact O-N 2.66Å; E1391-K1412 IonicContact OE1-NZ 2.74Å; E1391-K1412 PolarHBondContact OE1-NZ 3.37Å; E1391-K1412 WeakPolarHBondContact OE2-CD 3.33Å; E1391-K1412 WeakPolarHBondContact OE2-CE 3.21Å; E1391-K1412 IonicContact OE2-NZ 2.7Å; E1391-K1412 PolarHBondContact OE2-NZ 3.36Å
1392G87.2Confident86.7Confident63 Ų6372 Ų7265%0.64940%0.395SS*.SBendtrans93.7-175.8-166.600000112.7
1393N88.7Confident86.5Confident84 Ų8474.5 Ų74.545%0.44941%0.408SS..  trans-82.9122.2-176.7-173.7-0.6000111.2V1395N1393-V1395 VanDerWaalsContact CG-O 3.23Å; N1393-V1395 PolarHBondContact ND2-O 2.76Å; N1393-V1395 PolarHBondContact O-N 2.74Å; N1393-V1395 PolarHBondContact OD1-N 3.23Å; N1393-V1395 PolarHBondContact OD1-O 3.34Å
1394A87.1Confident86.4Confident36 Ų3675.5 Ų75.530%0.29841%0.407SS..SBendtrans-67.4-16.8177.500000113.9V1380 Y1381 M1390V1380-A1394 CarbonylContact C-O 3.47Å; V1380-A1394 WeakPolarHBondContact CA-O 3.42Å; Y1381-A1394 PolarHBondContact N-O 3Å; M1390-A1394 HydrophobicContact SD-CB 3.59Å; M1390-A1394 VanDerWaalsContact SD-CB 3.59Å
1395V90.6Very high86.5Confident60 Ų6073 Ų7336%0.36440%0.4SS..EExtended strand (participates in β ladder)trans-125.9117.6-178-171.40000111T1378 I1379 V1380 N1393T1378-V1395 HydrophobicContact CG2-CG1 4.2Å; I1379-V1395 WeakPolarHBondContact O-CA 3.28Å; V1380-V1395 HydrophobicContact CG1-CG2 4.28Å; V1380-V1395 HydrophobicContact CG2-CG1 4.24Å; V1380-V1395 HydrophobicContact CG2-CG2 4.11Å; N1393-V1395 VanDerWaalsContact CG-O 3.23Å; N1393-V1395 PolarHBondContact ND2-O 2.76Å; N1393-V1395 PolarHBondContact O-N 2.74Å; N1393-V1395 PolarHBondContact OD1-N 3.23Å; N1393-V1395 PolarHBondContact OD1-O 3.34Å
1396T90.4Very high86.7Confident0 Ų072.3 Ų72.30%040%0.395CS..EExtended strand (participates in β ladder)trans-112.6141.5172.6-167.60000111P1357 T1378 I1379 Y1381 W1404 S1406P1357-T1396 HydrophobicContact CG-CG2 4.43Å; T1378-T1396 CarbonylContact C-O 3.6Å; T1378-T1396 VanDerWaalsContact CA-O 3.3Å; T1378-T1396 WeakPolarHBondContact CA-O 3.34Å; I1379-T1396 HydrophobicContact CB-CG2 4.01Å; I1379-T1396 PolarHBondContact N-O 2.03Å; I1379-T1396 PolarHBondContact O-N 2.55Å; Y1381-T1396 HydrophobicContact CE2-CG2 3.85Å; T1396-W1404 HydrophobicContact CG2-CD2 4.33Å; T1396-W1404 HydrophobicContact CG2-CE3 3.68Å; T1396-W1404 HydrophobicContact CG2-CZ3 4.12Å; T1396-S1406 WeakPolarHBondContact CB-OG 3.31Å; T1396-S1406 PolarHBondContact OG1-N 2.85Å; T1396-S1406 PolarHBondContact OG1-O 3.1Å; T1396-S1406 PolarHBondContact OG1-OG 3.04Å
1397R90.6Very high87.1Confident142 Ų14270.5 Ų70.554%0.53639%0.394SS..EExtended strand (participates in β ladder)trans-119.7138.8-175.5-172-176.9-69.1-1420.6111D1377 T1378 T1399 W1404 S1405D1377-R1397 CarbonylContact O-C 3.6Å; D1377-R1397 WeakPolarHBondContact O-CA 3.01Å; T1378-R1397 HydrophobicContact CG2-CB 3.92Å; T1378-R1397 HydrophobicContact CG2-CG 3.86Å; R1397-T1399 PolarHBondContact O-N 3.42Å; R1397-W1404 CarbonylContact O-C 3.58Å; R1397-W1404 WeakPolarHBondContact O-CA 3.29Å; R1397-S1405 PolarHBondContact N-OG 3.42Å; R1397-S1405 PolarHBondContact O-N 2.67Å
1398C89.7Confident87.4Confident0 Ų065.1 Ų65.10%037%0.374CS..BIsolated β-bridgetrans-71.9115.7169.3-178.20000109.8C1354 L1374 G1376 D1377 W1404C1354-C1398 HydrophobicContact CB-CB 3.79Å; C1354-C1398 WeakPolarHBondContact CB-SG 3.08Å; C1354-C1398 PolarHBondContact N-SG 3.14Å; C1354-C1398 VanDerWaalsContact N-SG 3.43Å; C1354-C1398 WeakPolarHBondContact SG-CA 3.41Å; C1354-C1398 WeakPolarHBondContact SG-CB 3.38Å; C1354-C1398 CovalentContact SG-SG 2.04Å; C1354-C1398 PolarHBondContact SG-SG 2.84Å; L1374-C1398 WeakPolarHBondContact O-CB 3.29Å; G1376-C1398 PolarHBondContact N-O 3.41Å; D1377-C1398 PolarHBondContact O-N 3.42Å; C1398-W1404 HydrophobicContact CB-CE3 4.36Å; C1398-W1404 HydrophobicContact CB-CH2 4.11Å; C1398-W1404 HydrophobicContact CB-CZ3 4.02Å; C1398-W1404 VanDerWaalsContact N-CZ3 3.31Å
1399T86.7Confident87.5Confident44 Ų4462.5 Ų62.527%0.2736%0.364SS..  trans-86.1161.6-177.870.40000111.9R1397 T1401 G1402 K1403R1397-T1399 PolarHBondContact O-N 3.42Å; T1399-T1401 PolarHBondContact O-N 2.04Å; T1399-T1401 PolarHBondContact OG1-OG1 3.03Å; T1399-G1402 PolarHBondContact O-N 3.07Å; T1399-K1403 WeakPolarHBondContact CB-O 3.05Å; T1399-K1403 WeakPolarHBondContact CG2-O 3.42Å; T1399-K1403 PolarHBondContact N-O 2.84Å; T1399-K1403 PolarHBondContact OG1-O 3.09Å
1400G79.9Confident87.8Confident52 Ų5258.5 Ų58.554%0.53635%0.354SS..THydrogen-bonded Turntrans-57.4-14178.200000115.5
1401T82.7Confident87.8Confident80 Ų8056.9 Ų56.949%0.49135%0.347SS..THydrogen-bonded Turntrans-79.8-13.9174.967.40000113.9R1352 T1399 K1403R1352-T1401 WeakPolarHBondContact CD-O 3.43Å; R1352-T1401 PolarHBondContact NH1-O 3.43Å; T1399-T1401 PolarHBondContact O-N 2.04Å; T1399-T1401 PolarHBondContact OG1-OG1 3.03Å; T1401-K1403 WeakPolarHBondContact OG1-CB 3.34Å; T1401-K1403 PolarHBondContact OG1-N 2.79Å
1402G79.5Confident87.7Confident26 Ų2657.4 Ų57.427%0.26835%0.348SS..SBendtrans83.522.1-166.900000113.6C1354 T1399C1354-G1402 VanDerWaalsContact SG-C 3.51Å; T1399-G1402 PolarHBondContact O-N 3.07Å
1403K85.8Confident87.4Confident152 Ų15258.8 Ų58.866%0.66135%0.345SS*.SBendtrans-122.7154.2175.5-62.9-175.3176.4-1760111.3T1399 T1401T1399-K1403 WeakPolarHBondContact CB-O 3.05Å; T1399-K1403 WeakPolarHBondContact CG2-O 3.42Å; T1399-K1403 PolarHBondContact N-O 2.84Å; T1399-K1403 PolarHBondContact OG1-O 3.09Å; T1401-K1403 WeakPolarHBondContact OG1-CB 3.34Å; T1401-K1403 PolarHBondContact OG1-N 2.79Å
1404W88.7Confident86.6Confident50 Ų5060.4 Ų60.419%0.18935%0.35CS..BIsolated β-bridgetrans-73.8146.9173.3-68.5103000112.6C1354 W1355 P1357 Y1373 I1379 T1396 R1397 C1398 S1406C1354-W1404 HydrophobicContact CB-CD2 4.33Å; C1354-W1404 HydrophobicContact CB-CH2 4.45Å; C1354-W1404 HydrophobicContact CB-CZ2 3.64Å; W1355-W1404 WeakPolarHBondContact O-CZ2 3.21Å; W1355-W1404 PolarHBondContact O-NE1 3.15Å; P1357-W1404 HydrophobicContact CB-CD2 4.49Å; P1357-W1404 HydrophobicContact CB-CG 4.18Å; P1357-W1404 HydrophobicContact CG-CD2 4.07Å; P1357-W1404 HydrophobicContact CG-CG 4.27Å; P1357-W1404 HydrophobicContact CG-CZ2 4.26Å; Y1373-W1404 AromaticContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CH2 3.87Å; Y1373-W1404 HydrophobicContact CD1-CZ2 4.45Å; Y1373-W1404 AromaticContact CD2-CH2 3.98Å; Y1373-W1404 HydrophobicContact CD2-CH2 3.98Å; Y1373-W1404 AromaticContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CD2-CZ2 3.72Å; Y1373-W1404 HydrophobicContact CE2-CZ2 4.41Å; Y1373-W1404 AromaticContact CG-CH2 3.56Å; Y1373-W1404 HydrophobicContact CG-CH2 3.56Å; Y1373-W1404 AromaticContact CG-CZ2 3.75Å; Y1373-W1404 HydrophobicContact CG-CZ2 3.75Å; I1379-W1404 HydrophobicContact CD1-CH2 3.39Å; I1379-W1404 HydrophobicContact CD1-CZ2 3.75Å; I1379-W1404 HydrophobicContact CD1-CZ3 3.91Å; I1379-W1404 HydrophobicContact CG1-CH2 3.8Å; I1379-W1404 HydrophobicContact CG1-CZ3 4.05Å; T1396-W1404 HydrophobicContact CG2-CD2 4.33Å; T1396-W1404 HydrophobicContact CG2-CE3 3.68Å; T1396-W1404 HydrophobicContact CG2-CZ3 4.12Å; R1397-W1404 CarbonylContact O-C 3.58Å; R1397-W1404 WeakPolarHBondContact O-CA 3.29Å; C1398-W1404 HydrophobicContact CB-CE3 4.36Å; C1398-W1404 HydrophobicContact CB-CH2 4.11Å; C1398-W1404 HydrophobicContact CB-CZ3 4.02Å; C1398-W1404 VanDerWaalsContact N-CZ3 3.31Å; W1404-S1406 VanDerWaalsContact C-N 3.32Å
1405S90.8Very high85.7Confident66 Ų6670 Ų7046%0.46238%0.379SS..SBendtrans-72.3-23.7-179.763.40000113.9R1397R1397-S1405 PolarHBondContact N-OG 3.42Å; R1397-S1405 PolarHBondContact O-N 2.67Å
1406S88.8Confident84.4Confident27 Ų2773 Ų7319%0.18940%0.4CS..SBendtrans-149.2158.217460.80000110.8T1396 W1404T1396-S1406 WeakPolarHBondContact CB-OG 3.31Å; T1396-S1406 PolarHBondContact OG1-N 2.85Å; T1396-S1406 PolarHBondContact OG1-O 3.1Å; T1396-S1406 PolarHBondContact OG1-OG 3.04Å; W1404-S1406 VanDerWaalsContact C-N 3.32Å
1407S89.3Confident82.1Confident103 Ų10383.2 Ų83.272%0.7246%0.462SS*.PPolyproline II helixtrans-63166.6167.146.60000112.2
1408V89.2Confident81.7Confident41 Ų4180.3 Ų80.325%0.24846%0.458CS..PPolyproline II helixtrans-64.1130.9172.8-173.70000109.3P1357 P1360 Y1381P1357-V1408 HydrophobicContact CB-CG2 4.11Å; P1357-V1408 VanDerWaalsContact O-CG2 3.31Å; P1357-V1408 WeakPolarHBondContact O-CG2 3.31Å; P1360-V1408 HydrophobicContact CG-CG1 3.96Å; Y1381-V1408 HydrophobicContact CE1-CG1 4.05Å
1409P89.7Confident81.3Confident5 Ų584.5 Ų84.53%0.03248%0.482CS..PPolyproline II helixtrans-73.1169.817731.2-35.2000111.9P1360 Y1381 M1390 E1391P1360-P1409 VanDerWaalsContact CB-O 3.3Å; P1360-P1409 WeakPolarHBondContact CB-O 3.26Å; P1360-P1409 HydrophobicContact CG-CG 4.27Å; Y1381-P1409 HydrophobicContact CD1-CG 4.49Å; Y1381-P1409 HydrophobicContact CD2-CG 3.54Å; Y1381-P1409 VanDerWaalsContact CE2-CD 3.49Å; Y1381-P1409 HydrophobicContact CE2-CG 4.24Å; Y1381-P1409 HydrophobicContact CG-CG 3.68Å; M1390-P1409 HydrophobicContact CE-CG 4.14Å; M1390-P1409 HydrophobicContact CG-CB 3.9Å; M1390-P1409 HydrophobicContact CG-CG 4.39Å; M1390-P1409 HydrophobicContact SD-CB 3.91Å; M1390-P1409 HydrophobicContact SD-CG 3.77Å; E1391-P1409 WeakPolarHBondContact O-CA 3.49Å; E1391-P1409 VanDerWaalsContact O-CB 3.29Å; E1391-P1409 WeakPolarHBondContact O-CB 3.43Å
1410S90.5Very high81Confident60 Ų6086.7 Ų86.742%0.4249%0.494SS..EExtended strand (participates in β ladder)trans-116.1147.2177.7-63.30000111.8M1390 E1391M1390-S1410 CarbonylContact C-O 3.45Å; M1390-S1410 WeakPolarHBondContact CA-O 3.37Å; E1391-S1410 PolarHBondContact N-O 2.73Å; E1391-S1410 PolarHBondContact O-N 2.66Å
1411C89.8Confident81.1Confident9 Ų988.8 Ų88.86%0.06149%0.492CS..EExtended strand (participates in β ladder)trans-107.2102.7172.9-71.80000109.9V1361 F1362 C1383 Y1388V1361-C1411 WeakPolarHBondContact O-CB 3.38Å; F1362-C1411 HydrophobicContact CB-CB 4.17Å; C1383-C1411 WeakPolarHBondContact CA-SG 3.32Å; C1383-C1411 HydrophobicContact CB-CB 3.87Å; C1383-C1411 WeakPolarHBondContact CB-SG 3.46Å; C1383-C1411 WeakPolarHBondContact SG-CB 3.48Å; C1383-C1411 CovalentContact SG-SG 2.04Å; C1383-C1411 PolarHBondContact SG-SG 3.09Å; Y1388-C1411 WeakPolarHBondContact CD1-O 3.48Å
1412K86.2Confident81Confident106 Ų10689.3 Ų89.346%0.46149%0.492SS..EExtended strand (participates in β ladder)trans-96.3141.3-179.5-77.4-179.9174.7165.80111.1Y1388 K1389 E1391Y1388-K1412 CarbonylContact C-O 3.56Å; Y1388-K1412 VanDerWaalsContact CA-O 3.26Å; Y1388-K1412 WeakPolarHBondContact CA-O 3.4Å; K1389-K1412 PolarHBondContact N-O 2.86Å; K1389-K1412 PolarHBondContact O-N 3.34Å; E1391-K1412 IonicContact OE1-NZ 2.74Å; E1391-K1412 PolarHBondContact OE1-NZ 3.37Å; E1391-K1412 WeakPolarHBondContact OE2-CD 3.33Å; E1391-K1412 WeakPolarHBondContact OE2-CE 3.21Å; E1391-K1412 IonicContact OE2-NZ 2.7Å; E1391-K1412 PolarHBondContact OE2-NZ 3.36Å
1413P81.5Confident81.1Confident92 Ų9293.5 Ų93.560%0.59751%0.507SS*.EExtended strand (participates in β ladder)trans-63139.5176.726.6-33.9000111.1K1387 Y1388K1387-P1413 WeakPolarHBondContact O-CA 3.46Å; Y1388-P1413 HydrophobicContact CD1-CB 4.25Å; Y1388-P1413 HydrophobicContact CE1-CB 4.25Å
1414Q71.1Confident80.7Confident118 Ų11889.4 Ų89.455%0.55150%0.496SS*.PPolyproline II helixtrans-73.2137.1171-62.1-171.88.800109.6K1387 K1389K1387-Q1414 PolarHBondContact O-N 3.07Å; K1389-Q1414 HydrophobicContact CB-CG 3.91Å
1415R67.7Low80.1Confident237 Ų23792.4 Ų92.489%0.89452%0.519SS*.PPolyproline II helixtrans-71.1140.8165.9-66.1-174.6-177.7-178.10.9108.6
1416P63.8Low79.2Confident124 Ų12494.6 Ų94.681%0.80552%0.524SS*.PPolyproline II helixtrans-60.5150158.529.9-33.7000109.3
1417T43.1Very low78.3Confident213 Ų213100.7 Ų100.7100%1.30755%0.554SS**  trans-76.30170.751.40000110.7

Retrieved 1,417 of 1,417 residues in 2288.6 ms (Link to these results)