A0A087X4G4_POEFO Loading...

Toll-like receptor 2

Cooperates with LY96 to mediate the innate immune response to bacterial lipoproteins and other microbial cell wall components. Cooperates with TLR1 or TLR6 to mediate the innate immune response to bacterial lipoproteins or lipopeptides. Acts via MYD88 and TRAF6, leading to NF-kappa-B activation, cytokine secretion and the inflammatory response.

AlphaFold DB , UniProt , Accession A0A087X4G4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 812 aa.

						>A0A087X4G4_POEFO|A0A087X4G4
MRRLTLGSLALLLLLVPLIRGQEVNGDDGRPTCRRCDLHHCCNCSHSGFTRVPMVTDQALRLDLSFNNITNMTKDDLMGHSRLRALDLHANGLAEIHPSAFDSLWSLEELDLSDNQLTVLNPKWLKNLAILENLNLLNNPYSRLGSPSMFFGLVRLRRLMFGGPALKELRRTDVFGVTELEDLTVHANNLASYDSGTLGDIWPLGRVTLRLHGPFLTNVALAAAVLTDVSYPETPIVLEDLHLIGNHSVLPFRESAKKRIRSLSFRNFSVSDATLVDFLMALNGDPLSYLHVEDVTLTGEGRWEKANKTDYKSIDEFFLRNAVVVDIYKFVSFLQLGFLLYYPRKVSVINCGVFVMPCETSKLLVNLQYLDLSDNLLTDLTTAESLCHGAPTLKELRVLNISGNPLKSLSMISHLVTNLLKLTHLDISRTLYSSMPSSCSWPSTLKYLNISRAKLTATTSCLPRSLEVLDLSYNNLKGFSLDLPLLRELYLSGNKFLGLPAGQPFPNLQTLTMQFNTLNMFGLSDLQSFRRLENLQAGYNKFICTCDFVNFLQSQLKQNGNVKLTDRKDGYVCDSPLHLQGELVSQARLSVEVCHRVLFVSVSCGAALLVGLLLCVLLWRLHVFWYLKMTWAWLKAKRSSQKQRRATADSEALLSFDAFVSYSERDAGWVESFLIPELEEPSEDGSSSTSSSRPLSLCLHKRDFLPGHTIMDNIMSAIERSRRTVFVLSENFVQSDWCRYELDFSHFWLFEAGGDTAILILLEPLSKDDVPKRFCKLRKLMSSTTYLEWPQEEERRPEFWRSLRNALRGDND
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	35.5	Very low	32.5	Very low	245 Å²	245	161.2 Å²	161.2	100%	1.207	86%	0.864	S	S	*	*				0	121.6	0	-59.9	178.4	-160.1	0	0	106.2
2	R	31.9	Very low	32.4	Very low	242 Å²	242	162.1 Å²	162.1	91%	0.913	87%	0.867	S	S	*	*			cis	-139.4	120.3	24.6	-68.3	167.8	167.5	173.2	-5.3	107.4
3	R	36.8	Very low	32.4	Very low	227 Å²	227	162.8 Å²	162.8	86%	0.857	87%	0.869	S	S	*	*				54.7	108.1	97.3	-84.2	-169.6	179.9	-163.4	4.5	118.2
4	L	33.8	Very low	32.3	Very low	137 Å²	137	163.1 Å²	163.1	72%	0.717	87%	0.87	S	S	*	*				72.5	140.8	128.1	-68.3	157	0	0	0	117.8
5	T	35.3	Very low	32.2	Very low	112 Å²	112	163.8 Å²	163.8	69%	0.687	87%	0.873	S	S	*	*			cis	-166.6	151.8	20.1	16.4	0	0	0	0	110.6
6	L	32	Very low	32.2	Very low	172 Å²	172	162.3 Å²	162.3	90%	0.901	87%	0.871	S	S	*	*			trans	33.2	133.2	145	-81.9	89.4	0	0	0	122.3
7	G	26	Very low	32.4	Very low	80 Å²	80	159.5 Å²	159.5	83%	0.825	86%	0.863	S	S	*	*			trans	170.8	73.2	154.5	0	0	0	0	0	113.7
8	S	33.2	Very low	32.5	Very low	111 Å²	111	158.8 Å²	158.8	78%	0.776	86%	0.858	S	S	*	*			trans	-72.5	132.5	175.4	61.3	0	0	0	0	111.8
9	L	31.7	Very low	32.5	Very low	176 Å²	176	159.4 Å²	159.4	92%	0.921	86%	0.859	S	S	*	*			trans	170.4	89.4	146.1	-101.2	143	0	0	0	110
10	A	31.7	Very low	32.5	Very low	94 Å²	94	162.9 Å²	162.9	78%	0.777	86%	0.859	S	S	*	*			trans	173.9	85	152.8	0	0	0	0	0	109.6
11	L	29.8	Very low	32.3	Very low	177 Å²	177	158.3 Å²	158.3	93%	0.927	85%	0.851	S	S	*	*			trans	-163.2	76.6	156.3	-136.6	86.7	0	0	0	110.5
12	L	31.3	Very low	32	Very low	172 Å²	172	155.1 Å²	155.1	90%	0.901	83%	0.833	S	S	*	*			trans	-152.8	72.8	169.8	-119.4	155.7	0	0	0	107.7
13	L	32.7	Very low	32	Very low	171 Å²	171	152.5 Å²	152.5	90%	0.895	83%	0.831	S	S	*	*			trans	-170.3	63.3	169.2	-104.7	169.1	0	0	0	110.5
14	L	30.8	Very low	31.8	Very low	168 Å²	168	147.8 Å²	147.8	88%	0.88	83%	0.828	S	S	*	*			trans	-147.4	109.1	160.9	-85.8	175.3	0	0	0	109
15	L	30.7	Very low	31.8	Very low	173 Å²	173	148.8 Å²	148.8	91%	0.906	83%	0.833	S	S	*	*			trans	145.6	83.8	143.8	-75.8	160.6	0	0	0	111.3
16	V	32.7	Very low	32.2	Very low	139 Å²	139	146.7 Å²	146.7	84%	0.842	83%	0.834	S	S	*	*			trans	-121.5	121.9	151.4	178.5	0	0	0	0	106.1
17	P	35.4	Very low	32.8	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	82%	0.823	S	S	*	*			trans	-79.5	149.7	-179.9	31.4	-30.7	0	0	0	111.4
18	L	33.1	Very low	34.1	Very low	147 Å²	147	145.7 Å²	145.7	77%	0.77	81%	0.811	S	S	*	*			trans	-54	133.4	171	-76	84.7	0	0	0	111.9	R20	L18-R20 HydrophobicContact CD2-CB 4.48Å
19	I	33.3	Very low	35.4	Very low	170 Å²	170	144.1 Å²	144.1	87%	0.872	81%	0.812	S	S	*	*			trans	-125.3	93.2	137.2	-58.6	179.4	0	0	0	106.5	G21	I19-G21 PolarHBondContact O-N 3.41Å
20	R	32	Very low	37.5	Very low	230 Å²	230	138.4 Å²	138.4	87%	0.868	78%	0.778	S	S	*	*			trans	-83.2	85.1	169.9	-163.8	176.2	-169	173.7	2.5	107	L18	L18-R20 HydrophobicContact CD2-CB 4.48Å
21	G	29.6	Very low	39.9	Very low	66 Å²	66	136.2 Å²	136.2	68%	0.68	76%	0.756	S	S	*	*			trans	-91.6	100.4	167.9	0	0	0	0	0	109.5	I19	I19-G21 PolarHBondContact O-N 3.41Å
22	Q	29.1	Very low	42.7	Very low	179 Å²	179	131.1 Å²	131.1	84%	0.836	73%	0.733	S	S	*	*			trans	24.8	98.9	151.6	-131.5	162.7	-22.7	0	0	117.4	V24	Q22-V24 PolarHBondContact O-N 3.06Å; Q22-V24 VanDerWaalsContact O-N 3.07Å
23	E	30.2	Very low	45.4	Very low	186 Å²	186	123.5 Å²	123.5	87%	0.869	69%	0.693	S	S	*	*			trans	-63.6	102.8	160.3	-77.8	173.9	157.1	0	0	108.9	N25	E23-N25 PolarHBondContact O-N 3.22Å
24	V	32.9	Very low	47.7	Very low	129 Å²	129	125.7 Å²	125.7	78%	0.782	69%	0.69	S	S	*	*			trans	-84.2	102.9	155.7	178.1	0	0	0	0	105.8	Q22 G26	Q22-V24 PolarHBondContact O-N 3.06Å; Q22-V24 VanDerWaalsContact O-N 3.07Å; V24-G26 PolarHBondContact O-N 3.02Å
25	N	34.8	Very low	50.3	Low	157 Å²	157	126 Å²	126	84%	0.84	68%	0.679	S	S	*	*			trans	-65.9	116.7	172.2	-105.9	-17.1	0	0	0	109.5	E23	E23-N25 PolarHBondContact O-N 3.22Å
26	G	44.1	Very low	53.1	Low	68 Å²	68	120.1 Å²	120.1	70%	0.701	65%	0.652	S	S	*	*			trans	149.5	81.9	166.8	0	0	0	0	0	111.6	V24	V24-G26 PolarHBondContact O-N 3.02Å
27	D	44.7	Very low	55.6	Low	126 Å²	126	117.2 Å²	117.2	67%	0.674	63%	0.632	S	S	*	*			trans	-168.1	153.3	137.5	-138.2	-9.5	0	0	0	113	G29	D27-G29 VanDerWaalsContact C-N 3.32Å; D27-G29 PolarHBondContact O-N 3.02Å
28	D	51.8	Low	57.9	Low	106 Å²	106	119.7 Å²	119.7	57%	0.567	64%	0.638	S	S	*	*			trans	-56.4	57.3	-171.8	-172.6	36.3	0	0	0	116.6	R30	D28-R30 WeakPolarHBondContact O-CG 3.44Å; D28-R30 PolarHBondContact O-N 2.74Å; D28-R30 IonicContact OD2-NE 3.97Å
29	G	62	Low	60.4	Low	78 Å²	78	119.3 Å²	119.3	80%	0.804	63%	0.632	S	S	*	*	S	Bend	trans	52.9	11.5	167.7	0	0	0	0	0	117.1	D27	D27-G29 VanDerWaalsContact C-N 3.32Å; D27-G29 PolarHBondContact O-N 3.02Å
30	R	75	Confident	63.1	Low	55 Å²	55	115.1 Å²	115.1	21%	0.208	61%	0.609	C	S	.	*	P	Polyproline II helix	trans	-78.9	133.2	-174.4	-81.8	175.1	-168.7	-130.5	2.6	108.9	D28 M54 D76	D28-R30 WeakPolarHBondContact O-CG 3.44Å; D28-R30 PolarHBondContact O-N 2.74Å; D28-R30 IonicContact OD2-NE 3.97Å; R30-M54 HydrophobicContact CB-CG 3.91Å; R30-D76 IonicContact CZ-OD1 2.98Å; R30-D76 IonicContact NH1-OD1 3.74Å; R30-D76 PolarHBondContact NH1-OD1 3.27Å
31	P	82.9	Confident	66	Low	49 Å²	49	106.1 Å²	106.1	32%	0.318	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-63.3	141	175.9	25.9	-32.1	0	0	0	110.6	F49 P53 M54	P31-F49 HydrophobicContact CB-CD1 3.93Å; P31-F49 HydrophobicContact CB-CE1 3.65Å; P31-F49 HydrophobicContact CG-CD1 3.85Å; P31-F49 HydrophobicContact CG-CE1 4.09Å; P31-P53 HydrophobicContact CG-CB 4.45Å; P31-P53 CarbonylContact O-C 3.56Å; P31-P53 WeakPolarHBondContact O-CA 3.16Å; P31-P53 WeakPolarHBondContact O-CB 3.2Å; P31-M54 PolarHBondContact O-N 2.72Å
32	T	87.8	Confident	69.1	Low	70 Å²	70	103.1 Å²	103.1	43%	0.429	55%	0.549	S	S	.	.	B	Isolated β-bridge	trans	-103	133.7	-179.5	58.8	0	0	0	0	111.5	R34 M54	T32-R34 PolarHBondContact OG1-NE 3.46Å; T32-R34 VanDerWaalsContact OG1-NE 3.16Å; T32-M54 WeakPolarHBondContact CA-O 3.44Å; T32-M54 HydrophobicContact CG2-CB 4.1Å
33	C	87.3	Confident	72.2	Confident	11 Å²	11	98.3 Å²	98.3	7%	0.074	53%	0.529	C	S	.	.			trans	-80.8	112.5	169.6	177.5	0	0	0	0	109.8	C44 P53 M54 V55	C33-C44 WeakPolarHBondContact CA-SG 3.41Å; C33-C44 HydrophobicContact CB-CB 4.06Å; C33-C44 WeakPolarHBondContact CB-SG 3.08Å; C33-C44 WeakPolarHBondContact SG-CB 3.49Å; C33-C44 CovalentContact SG-SG 2.01Å; C33-C44 PolarHBondContact SG-SG 2.75Å; C33-P53 HydrophobicContact CB-CB 4.32Å; C33-P53 HydrophobicContact CB-CG 4.07Å; C33-M54 PolarHBondContact N-O 3.44Å; C33-V55 HydrophobicContact CB-CG2 3.73Å
34	R	81.4	Confident	75.2	Confident	218 Å²	218	89.7 Å²	89.7	82%	0.823	49%	0.489	S	S	*	.			trans	-107.9	-3.9	-174.9	-62.4	-173.3	-176.6	-172.2	-1.1	115	T32 C36	T32-R34 PolarHBondContact OG1-NE 3.46Å; T32-R34 VanDerWaalsContact OG1-NE 3.16Å; R34-C36 PolarHBondContact O-N 3.3Å
35	R	86.1	Confident	78.2	Confident	173 Å²	173	84.2 Å²	84.2	65%	0.653	46%	0.457	S	S	*	.			trans	-96	73.6	-173.6	-70.9	-178.9	-178.3	173.3	2.3	111	C42 N43	R35-C42 CarbonylContact O-C 3.59Å; R35-C42 VanDerWaalsContact O-CA 3.29Å; R35-C42 WeakPolarHBondContact O-CA 3.19Å; R35-N43 VanDerWaalsContact CB-O 3.23Å; R35-N43 WeakPolarHBondContact CB-O 3.44Å; R35-N43 PolarHBondContact O-N 2.96Å
36	C	88.1	Confident	81.1	Confident	51 Å²	51	82.9 Å²	82.9	35%	0.345	45%	0.445	S	S	.	.	B	Isolated β-bridge	trans	-115.3	135.4	174.6	-54.1	0	0	0	0	110.4	R34 C41 C42	R34-C36 PolarHBondContact O-N 3.3Å; C36-C41 WeakPolarHBondContact CA-O 3.08Å; C36-C42 HydrophobicContact CB-CB 4.14Å; C36-C42 WeakPolarHBondContact CB-SG 3.49Å; C36-C42 WeakPolarHBondContact SG-CB 3.23Å; C36-C42 CovalentContact SG-SG 2.04Å; C36-C42 PolarHBondContact SG-SG 2.77Å
37	D	86.5	Confident	83.4	Confident	78 Å²	78	81.9 Å²	81.9	42%	0.417	43%	0.427	S	S	.	.			trans	-85.3	-179.7	177.5	78.7	-7	0	0	0	112.7	H39 H40 C41	D37-H39 PolarHBondContact O-N 3.47Å; D37-H39 VanDerWaalsContact OD1-C 3.26Å; D37-H39 VanDerWaalsContact OD1-CA 3.32Å; D37-H39 WeakPolarHBondContact OD1-CA 3.46Å; D37-H39 WeakPolarHBondContact OD1-CB 3.38Å; D37-H39 PolarHBondContact OD1-N 3.06Å; D37-H39 IonicContact OD2-ND1 3.43Å; D37-H40 PolarHBondContact O-N 3.46Å; D37-H40 VanDerWaalsContact O-N 3.13Å; D37-H40 PolarHBondContact OD1-N 2.99Å; D37-H40 VanDerWaalsContact OD1-N 3.07Å; D37-C41 PolarHBondContact N-O 3.21Å; D37-C41 WeakPolarHBondContact OD1-CB 3.31Å; D37-C41 PolarHBondContact OD1-N 2.83Å
38	L	82.5	Confident	85.7	Confident	166 Å²	166	78.4 Å²	78.4	87%	0.869	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.5	177.3	-68.4	169.9	0	0	0	113.6
39	H	85.4	Confident	87.7	Confident	140 Å²	140	74.6 Å²	74.6	65%	0.648	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	12.5	176.3	-57.9	92	0	0	0	112	D37 C41	D37-H39 PolarHBondContact O-N 3.47Å; D37-H39 VanDerWaalsContact OD1-C 3.26Å; D37-H39 VanDerWaalsContact OD1-CA 3.32Å; D37-H39 WeakPolarHBondContact OD1-CA 3.46Å; D37-H39 WeakPolarHBondContact OD1-CB 3.38Å; D37-H39 PolarHBondContact OD1-N 3.06Å; D37-H39 IonicContact OD2-ND1 3.43Å; H39-C41 PolarHBondContact O-N 3.49Å
40	H	90.4	Very high	89.2	Confident	82 Å²	82	75 Å²	75	38%	0.38	39%	0.387	S	S	.	.			trans	58.6	30.5	-178	-52	-72.9	0	0	0	113.7	D37 Q58 L60 R61	D37-H40 PolarHBondContact O-N 3.46Å; D37-H40 VanDerWaalsContact O-N 3.13Å; D37-H40 PolarHBondContact OD1-N 2.99Å; D37-H40 VanDerWaalsContact OD1-N 3.07Å; H40-Q58 VanDerWaalsContact CB-O 3.3Å; H40-Q58 WeakPolarHBondContact CB-O 3.42Å; H40-L60 HydrophobicContact CB-CB 4.32Å; H40-L60 HydrophobicContact CB-CD1 4.38Å; H40-L60 HydrophobicContact CB-CG 4.06Å; H40-L60 PolarHBondContact O-N 3.03Å; H40-R61 PolarHBondContact O-N 3.19Å
41	C	93.5	Very high	90	Very high	40 Å²	40	76.3 Å²	76.3	27%	0.27	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.5	167.8	-61.2	0	0	0	0	108.6	C36 D37 H39 R61	C36-C41 WeakPolarHBondContact CA-O 3.08Å; D37-C41 PolarHBondContact N-O 3.21Å; D37-C41 WeakPolarHBondContact OD1-CB 3.31Å; D37-C41 PolarHBondContact OD1-N 2.83Å; H39-C41 PolarHBondContact O-N 3.49Å; C41-R61 HydrophobicContact CB-CB 4.4Å
42	C	94.7	Very high	90.5	Very high	3 Å²	3	74 Å²	74	2%	0.02	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	113.2	-178.5	-62.4	0	0	0	0	110.2	R35 C36 R61 L62 D63	R35-C42 CarbonylContact O-C 3.59Å; R35-C42 VanDerWaalsContact O-CA 3.29Å; R35-C42 WeakPolarHBondContact O-CA 3.19Å; C36-C42 HydrophobicContact CB-CB 4.14Å; C36-C42 WeakPolarHBondContact CB-SG 3.49Å; C36-C42 WeakPolarHBondContact SG-CB 3.23Å; C36-C42 CovalentContact SG-SG 2.04Å; C36-C42 PolarHBondContact SG-SG 2.77Å; C42-R61 PolarHBondContact N-O 2.83Å; C42-L62 HydrophobicContact CB-CD1 4.08Å; C42-D63 PolarHBondContact O-N 3.16Å
43	N	94.3	Very high	90.8	Very high	79 Å²	79	70.9 Å²	70.9	42%	0.422	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.2	177.4	-176.3	-22.5	0	0	0	110.8	R35 S45 D63	R35-N43 VanDerWaalsContact CB-O 3.23Å; R35-N43 WeakPolarHBondContact CB-O 3.44Å; R35-N43 PolarHBondContact O-N 2.96Å; N43-S45 PolarHBondContact OD1-N 3.48Å; N43-S45 PolarHBondContact OD1-OG 2.81Å; N43-D63 PolarHBondContact OD1-OD2 2.82Å
44	C	94	Very high	90.9	Very high	4 Å²	4	73.6 Å²	73.6	3%	0.027	37%	0.37	C	S	.	.			trans	-126.9	27.2	-179	-83.6	0	0	0	0	112.1	C33 S47 F49 D63 L64 N67	C33-C44 WeakPolarHBondContact CA-SG 3.41Å; C33-C44 HydrophobicContact CB-CB 4.06Å; C33-C44 WeakPolarHBondContact CB-SG 3.08Å; C33-C44 WeakPolarHBondContact SG-CB 3.49Å; C33-C44 CovalentContact SG-SG 2.01Å; C33-C44 PolarHBondContact SG-SG 2.75Å; C44-S47 PolarHBondContact O-OG 2.72Å; C44-F49 HydrophobicContact CB-CE2 3.92Å; C44-D63 CarbonylContact C-O 3.5Å; C44-D63 VanDerWaalsContact CA-O 3.26Å; C44-D63 WeakPolarHBondContact CA-O 3.29Å; C44-D63 WeakPolarHBondContact CB-O 2.98Å; C44-D63 PolarHBondContact N-O 2.82Å; C44-L64 HydrophobicContact CB-CD2 3.84Å; C44-N67 PolarHBondContact O-ND2 2.81Å
45	S	94.9	Very high	91.3	Very high	14 Å²	14	64.2 Å²	64.2	10%	0.098	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	161.6	171.6	63.6	0	0	0	0	112.2	N43 S47 D63 S65	N43-S45 PolarHBondContact OD1-N 3.48Å; N43-S45 PolarHBondContact OD1-OG 2.81Å; S45-S47 PolarHBondContact O-N 3.17Å; S45-S47 PolarHBondContact O-OG 2.83Å; S45-D63 PolarHBondContact N-O 3.32Å; S45-D63 PolarHBondContact OG-OD2 2.64Å; S45-S65 WeakPolarHBondContact CA-O 3.26Å; S45-S65 WeakPolarHBondContact CB-O 3.4Å; S45-S65 WeakPolarHBondContact CB-OG 3.12Å
46	H	94.9	Very high	91.4	Very high	129 Å²	129	58.8 Å²	58.8	60%	0.597	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	28.7	174.9	-57.8	83	0	0	0	114.6	S65 F66	H46-S65 PolarHBondContact N-O 3.22Å; H46-F66 WeakPolarHBondContact CA-O 3.17Å; H46-F66 AromaticContact CE1-CD2 3.11Å; H46-F66 WeakPolarHBondContact CE1-CD2 3.03Å; H46-F66 AromaticContact CE1-CE2 3.69Å; H46-F66 AromaticContact CE1-CG 3.5Å; H46-F66 PolarHBondContact N-O 3.46Å; H46-F66 AromaticContact ND1-CD2 3.93Å; H46-F66 AromaticContact NE2-CD2 3.49Å; H46-F66 WeakPolarHBondContact NE2-CD2 3.29Å; H46-F66 AromaticContact NE2-CE2 3.98Å; H46-F66 AromaticContact NE2-CG 3.44Å; H46-F66 WeakPolarHBondContact NE2-CG 3.33Å
47	S	92.8	Very high	91.3	Very high	47 Å²	47	60.8 Å²	60.8	33%	0.329	33%	0.33	S	S	.	.	S	Bend	trans	-104.2	1.3	-171.8	-66	0	0	0	0	112.8	C44 S45 F49 N67	C44-S47 PolarHBondContact O-OG 2.72Å; S45-S47 PolarHBondContact O-N 3.17Å; S45-S47 PolarHBondContact O-OG 2.83Å; S47-F49 VanDerWaalsContact C-N 3.3Å; S47-F49 PolarHBondContact O-N 3.47Å; S47-N67 WeakPolarHBondContact CA-OD1 3.38Å; S47-N67 PolarHBondContact N-OD1 3.24Å
48	G	92.9	Very high	91.5	Very high	53 Å²	53	60.2 Å²	60.2	55%	0.546	33%	0.325	S	S	.	.			trans	70.8	22	177.1	0	0	0	0	0	114	T50 N67	G48-T50 PolarHBondContact O-N 2.85Å; G48-N67 PolarHBondContact N-OD1 2.81Å
49	F	94.1	Very high	91.9	Very high	27 Å²	27	52.3 Å²	52.3	12%	0.118	28%	0.284	C	S	.	.			trans	-67.4	133.5	-179.8	-64.8	-51.1	0	0	0	111.5	P31 C44 S47 P53 N67 N68 I69	P31-F49 HydrophobicContact CB-CD1 3.93Å; P31-F49 HydrophobicContact CB-CE1 3.65Å; P31-F49 HydrophobicContact CG-CD1 3.85Å; P31-F49 HydrophobicContact CG-CE1 4.09Å; C44-F49 HydrophobicContact CB-CE2 3.92Å; S47-F49 VanDerWaalsContact C-N 3.3Å; S47-F49 PolarHBondContact O-N 3.47Å; F49-P53 HydrophobicContact CD1-CB 4.28Å; F49-P53 HydrophobicContact CD2-CB 4.38Å; F49-P53 HydrophobicContact CD2-CG 3.9Å; F49-P53 HydrophobicContact CE1-CB 4.18Å; F49-P53 HydrophobicContact CE2-CB 4.25Å; F49-P53 HydrophobicContact CE2-CG 3.91Å; F49-P53 HydrophobicContact CG-CB 4.39Å; F49-P53 HydrophobicContact CG-CG 4.27Å; F49-P53 HydrophobicContact CZ-CB 4.15Å; F49-P53 HydrophobicContact CZ-CG 4.31Å; F49-N67 HydrophobicContact CB-CB 4.27Å; F49-N67 PolarHBondContact N-OD1 3.41Å; F49-N68 CarbonylContact O-C 3.57Å; F49-N68 WeakPolarHBondContact O-CA 3.46Å; F49-N68 PolarHBondContact O-N 2.71Å; F49-I69 HydrophobicContact CB-CG1 4.32Å; F49-I69 WeakPolarHBondContact O-CG1 3.46Å; F49-I69 PolarHBondContact O-N 3.44Å
50	T	93.2	Very high	92.4	Very high	86 Å²	86	48.3 Å²	48.3	53%	0.528	27%	0.267	S	S	.	.	S	Bend	trans	-98.1	-13.2	176.2	54.4	0	0	0	0	113.5	G48 N68	G48-T50 PolarHBondContact O-N 2.85Å; T50-N68 WeakPolarHBondContact CA-O 3.36Å
51	R	92.3	Very high	92.8	Very high	83 Å²	83	50.7 Å²	50.7	31%	0.313	27%	0.273	S	S	.	.	S	Bend	trans	-141.8	158.5	177.6	64.3	-171.7	-64.6	-175.3	9.5	108.2	P53	R51-P53 WeakPolarHBondContact O-CD 3.24Å
52	V	93.8	Very high	92.9	Very high	1 Å²	1	49 Å²	49	1%	0.006	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-57.7	122.9	174.6	-179	0	0	0	0	109.3	L64 I69 M72 D76 L77	V52-L64 HydrophobicContact CG1-CD1 4.05Å; V52-I69 HydrophobicContact CG2-CG2 4.36Å; V52-M72 HydrophobicContact CG2-CE 3.77Å; V52-M72 HydrophobicContact CG2-CG 4.33Å; V52-D76 HydrophobicContact CB-CB 3.76Å; V52-D76 HydrophobicContact CG1-CB 4.08Å; V52-D76 HydrophobicContact CG2-CB 3.99Å; V52-L77 HydrophobicContact CG1-CD2 3.98Å; V52-L77 HydrophobicContact CG1-CG 4.38Å
53	P	93.1	Very high	93.1	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.026	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-73.7	162.7	179.9	31.4	-35.8	0	0	0	111.2	P31 C33 F49 R51 V55 L64	P31-P53 HydrophobicContact CG-CB 4.45Å; P31-P53 CarbonylContact O-C 3.56Å; P31-P53 WeakPolarHBondContact O-CA 3.16Å; P31-P53 WeakPolarHBondContact O-CB 3.2Å; C33-P53 HydrophobicContact CB-CB 4.32Å; C33-P53 HydrophobicContact CB-CG 4.07Å; F49-P53 HydrophobicContact CD1-CB 4.28Å; F49-P53 HydrophobicContact CD2-CB 4.38Å; F49-P53 HydrophobicContact CD2-CG 3.9Å; F49-P53 HydrophobicContact CE1-CB 4.18Å; F49-P53 HydrophobicContact CE2-CB 4.25Å; F49-P53 HydrophobicContact CE2-CG 3.91Å; F49-P53 HydrophobicContact CG-CB 4.39Å; F49-P53 HydrophobicContact CG-CG 4.27Å; F49-P53 HydrophobicContact CZ-CB 4.15Å; F49-P53 HydrophobicContact CZ-CG 4.31Å; R51-P53 WeakPolarHBondContact O-CD 3.24Å; P53-V55 HydrophobicContact CG-CG2 4.38Å; P53-V55 PolarHBondContact O-N 2.8Å; P53-L64 HydrophobicContact CG-CD2 3.62Å
54	M	90.6	Very high	93.2	Very high	68 Å²	68	46.9 Å²	46.9	34%	0.335	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-68.2	125.9	169.4	-75.9	-66.9	-177.3	0	0	110	R30 P31 T32 C33	R30-M54 HydrophobicContact CB-CG 3.91Å; P31-M54 PolarHBondContact O-N 2.72Å; T32-M54 WeakPolarHBondContact CA-O 3.44Å; T32-M54 HydrophobicContact CG2-CB 4.1Å; C33-M54 PolarHBondContact N-O 3.44Å
55	V	89.4	Confident	93.4	Very high	21 Å²	21	46.9 Å²	46.9	13%	0.127	25%	0.249	C	C	.	.			trans	-124.9	155.4	-177.6	-178.3	0	0	0	0	108.8	C33 P53 A59 L62	C33-V55 HydrophobicContact CB-CG2 3.73Å; P53-V55 HydrophobicContact CG-CG2 4.38Å; P53-V55 PolarHBondContact O-N 2.8Å; V55-A59 HydrophobicContact CG1-CB 3.88Å; V55-L62 HydrophobicContact CG1-CD1 4.11Å; V55-L62 HydrophobicContact CG1-CD2 4.4Å; V55-L62 HydrophobicContact CG2-CD1 3.82Å; V55-L62 HydrophobicContact CG2-CD2 3.98Å
56	T	88.3	Confident	93.5	Very high	58 Å²	58	51 Å²	51	36%	0.356	27%	0.266	S	S	.	.			trans	-66.3	138.6	173.1	178.4	0	0	0	0	111.7	Q58 A59	T56-Q58 PolarHBondContact O-N 3.32Å; T56-Q58 VanDerWaalsContact O-N 3.15Å; T56-Q58 PolarHBondContact OG1-N 3.33Å; T56-A59 HydrophobicContact CG2-CB 4.29Å; T56-A59 WeakPolarHBondContact O-CB 3.27Å; T56-A59 PolarHBondContact O-N 3.04Å; T56-A59 VanDerWaalsContact O-N 3.13Å
57	D	86.8	Confident	93.6	Very high	94 Å²	94	45.5 Å²	45.5	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.7	177.1	69.5	-15.9	0	0	0	113.4	A59	D57-A59 VanDerWaalsContact C-N 3.33Å
58	Q	89.4	Confident	93.8	Very high	65 Å²	65	47.9 Å²	47.9	30%	0.304	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5	175.9	-56.9	-50.6	-53.5	0	0	113.7	H40 T56 L60	H40-Q58 VanDerWaalsContact CB-O 3.3Å; H40-Q58 WeakPolarHBondContact CB-O 3.42Å; T56-Q58 PolarHBondContact O-N 3.32Å; T56-Q58 VanDerWaalsContact O-N 3.15Å; T56-Q58 PolarHBondContact OG1-N 3.33Å; Q58-L60 PolarHBondContact O-N 2.87Å
59	A	92.2	Very high	94	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	22%	0.224	C	C	.	.			trans	-59.2	127.6	-178.1	0	0	0	0	0	111.5	V55 T56 D57 L83	V55-A59 HydrophobicContact CG1-CB 3.88Å; T56-A59 HydrophobicContact CG2-CB 4.29Å; T56-A59 WeakPolarHBondContact O-CB 3.27Å; T56-A59 PolarHBondContact O-N 3.04Å; T56-A59 VanDerWaalsContact O-N 3.13Å; D57-A59 VanDerWaalsContact C-N 3.33Å; A59-L83 HydrophobicContact CB-CD1 4.22Å
60	L	95.8	Very high	94.1	Very high	56 Å²	56	47.2 Å²	47.2	29%	0.293	24%	0.237	S	C	.	.	S	Bend	trans	-97.1	-31.7	173.7	-67.4	179.1	0	0	0	111.5	H40 Q58 R82 R84 A85	H40-L60 HydrophobicContact CB-CB 4.32Å; H40-L60 HydrophobicContact CB-CD1 4.38Å; H40-L60 HydrophobicContact CB-CG 4.06Å; H40-L60 PolarHBondContact O-N 3.03Å; Q58-L60 PolarHBondContact O-N 2.87Å; L60-R82 HydrophobicContact CD2-CB 4.05Å; L60-R82 VanDerWaalsContact CD2-O 3.28Å; L60-R82 WeakPolarHBondContact CD2-O 3.31Å; L60-R84 WeakPolarHBondContact O-CA 3.43Å; L60-R84 PolarHBondContact O-N 3.04Å; L60-A85 PolarHBondContact O-N 3.07Å
61	R	97.1	Very high	94.2	Very high	132 Å²	132	46.5 Å²	46.5	50%	0.498	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.3	174.4	-60.1	-170.5	170	162.5	-6.5	109.4	H40 C41 C42 A85	H40-R61 PolarHBondContact O-N 3.19Å; C41-R61 HydrophobicContact CB-CB 4.4Å; C42-R61 PolarHBondContact N-O 2.83Å; R61-A85 WeakPolarHBondContact CA-O 3.23Å; R61-A85 HydrophobicContact CB-CB 4.23Å; R61-A85 HydrophobicContact CG-CB 3.86Å
62	L	97.1	Very high	94.3	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	112.1	-178.9	177	56.4	0	0	0	109.6	C42 V55 L64 L77 L83 A85 L86 D87	C42-L62 HydrophobicContact CB-CD1 4.08Å; V55-L62 HydrophobicContact CG1-CD1 4.11Å; V55-L62 HydrophobicContact CG1-CD2 4.4Å; V55-L62 HydrophobicContact CG2-CD1 3.82Å; V55-L62 HydrophobicContact CG2-CD2 3.98Å; L62-L64 HydrophobicContact CD1-CD1 4.48Å; L62-L64 HydrophobicContact CD1-CD2 4.11Å; L62-L64 HydrophobicContact CD1-CG 3.99Å; L62-L64 HydrophobicContact CD2-CD1 3.93Å; L62-L64 HydrophobicContact CD2-CG 4.31Å; L62-L64 HydrophobicContact CG-CD1 4.08Å; L62-L64 HydrophobicContact CG-CG 3.91Å; L62-L77 HydrophobicContact CD2-CD2 3.98Å; L62-L83 HydrophobicContact CB-CD1 3.7Å; L62-L83 HydrophobicContact CB-CD2 4.33Å; L62-A85 PolarHBondContact N-O 3.41Å; L62-L86 HydrophobicContact CB-CD1 4.24Å; L62-L86 HydrophobicContact CD2-CD1 4.05Å; L62-L86 HydrophobicContact CG-CD1 4.14Å; L62-D87 PolarHBondContact O-N 3.34Å
63	D	97.4	Very high	94.4	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.203	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.5	174.2	173.8	13.3	0	0	0	109.9	C42 N43 C44 S45 S65	C42-D63 PolarHBondContact O-N 3.16Å; N43-D63 PolarHBondContact OD1-OD2 2.82Å; C44-D63 CarbonylContact C-O 3.5Å; C44-D63 VanDerWaalsContact CA-O 3.26Å; C44-D63 WeakPolarHBondContact CA-O 3.29Å; C44-D63 WeakPolarHBondContact CB-O 2.98Å; C44-D63 PolarHBondContact N-O 2.82Å; S45-D63 PolarHBondContact N-O 3.32Å; S45-D63 PolarHBondContact OG-OD2 2.64Å; D63-S65 VanDerWaalsContact OD1-CB 3.24Å; D63-S65 WeakPolarHBondContact OD1-CB 3.22Å; D63-S65 PolarHBondContact OD1-N 2.84Å; D63-S65 PolarHBondContact OD1-OG 2.85Å
64	L	97	Very high	94.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.			trans	-117.2	18.4	174.8	-66.1	174	0	0	0	111.5	C44 V52 P53 L62 N67 I69 D87 L88 N91	C44-L64 HydrophobicContact CB-CD2 3.84Å; V52-L64 HydrophobicContact CG1-CD1 4.05Å; P53-L64 HydrophobicContact CG-CD2 3.62Å; L62-L64 HydrophobicContact CD1-CD1 4.48Å; L62-L64 HydrophobicContact CD1-CD2 4.11Å; L62-L64 HydrophobicContact CD1-CG 3.99Å; L62-L64 HydrophobicContact CD2-CD1 3.93Å; L62-L64 HydrophobicContact CD2-CG 4.31Å; L62-L64 HydrophobicContact CG-CD1 4.08Å; L62-L64 HydrophobicContact CG-CG 3.91Å; L64-N67 PolarHBondContact O-ND2 3.43Å; L64-I69 HydrophobicContact CB-CD1 4.22Å; L64-I69 HydrophobicContact CD1-CD1 4.37Å; L64-D87 CarbonylContact C-O 3.35Å; L64-D87 WeakPolarHBondContact CA-O 3.2Å; L64-D87 WeakPolarHBondContact CB-O 3.31Å; L64-D87 PolarHBondContact N-O 3.34Å; L64-L88 HydrophobicContact CB-CD2 3.96Å; L64-L88 HydrophobicContact CD1-CD2 3.95Å; L64-N91 PolarHBondContact O-ND2 3.48Å
65	S	97.8	Very high	94.5	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.028	26%	0.259	C	S	.	.			trans	-62.9	159.2	-178.8	63.2	0	0	0	0	113.4	S45 H46 D63 N67 D87 H89	S45-S65 WeakPolarHBondContact CA-O 3.26Å; S45-S65 WeakPolarHBondContact CB-O 3.4Å; S45-S65 WeakPolarHBondContact CB-OG 3.12Å; H46-S65 PolarHBondContact N-O 3.22Å; D63-S65 VanDerWaalsContact OD1-CB 3.24Å; D63-S65 WeakPolarHBondContact OD1-CB 3.22Å; D63-S65 PolarHBondContact OD1-N 2.84Å; D63-S65 PolarHBondContact OD1-OG 2.85Å; S65-N67 PolarHBondContact O-N 3.33Å; S65-N67 PolarHBondContact O-ND2 3.45Å; S65-D87 PolarHBondContact N-O 3.43Å; S65-H89 CarbonylContact C-O 3.55Å; S65-H89 VanDerWaalsContact CA-O 3.23Å; S65-H89 WeakPolarHBondContact CA-O 3.34Å; S65-H89 WeakPolarHBondContact CB-CD2 3.27Å; S65-H89 WeakPolarHBondContact CB-NE2 3.33Å
66	F	97.8	Very high	94.6	Very high	101 Å²	101	50.8 Å²	50.8	44%	0.443	26%	0.257	S	S	.	.	S	Bend	trans	52.1	41.7	176.5	-61	-79.9	0	0	0	113.6	H46 H89 A90	H46-F66 WeakPolarHBondContact CA-O 3.17Å; H46-F66 AromaticContact CE1-CD2 3.11Å; H46-F66 WeakPolarHBondContact CE1-CD2 3.03Å; H46-F66 AromaticContact CE1-CE2 3.69Å; H46-F66 AromaticContact CE1-CG 3.5Å; H46-F66 PolarHBondContact N-O 3.46Å; H46-F66 AromaticContact ND1-CD2 3.93Å; H46-F66 AromaticContact NE2-CD2 3.49Å; H46-F66 WeakPolarHBondContact NE2-CD2 3.29Å; H46-F66 AromaticContact NE2-CE2 3.98Å; H46-F66 AromaticContact NE2-CG 3.44Å; H46-F66 WeakPolarHBondContact NE2-CG 3.33Å; F66-H89 AromaticContact CD2-CE1 3.37Å; F66-H89 WeakPolarHBondContact CD2-CE1 3.33Å; F66-H89 AromaticContact CD2-NE2 3.8Å; F66-H89 AromaticContact CE1-CE1 3.98Å; F66-H89 AromaticContact CE2-CE1 2.98Å; F66-H89 WeakPolarHBondContact CE2-CE1 3.33Å; F66-H89 AromaticContact CE2-NE2 3.46Å; F66-H89 WeakPolarHBondContact CE2-NE2 3.4Å; F66-H89 AromaticContact CZ-CE1 3.33Å; F66-H89 WeakPolarHBondContact CZ-CE1 3.32Å; F66-H89 PolarHBondContact N-O 2.89Å; F66-A90 VanDerWaalsContact CA-O 3.28Å; F66-A90 WeakPolarHBondContact CA-O 3.3Å; F66-A90 HydrophobicContact CD1-CB 3.63Å; F66-A90 HydrophobicContact CE1-CB 3.86Å; F66-A90 HydrophobicContact CG-CB 4.17Å; F66-A90 PolarHBondContact N-O 3.01Å
67	N	97.1	Very high	94.8	Very high	14 Å²	14	48 Å²	48	8%	0.075	24%	0.24	C	C	.	.	S	Bend	trans	-110.6	-170	171	-77.9	-66.4	0	0	0	109.4	C44 S47 G48 F49 L64 S65 I69 N91	C44-N67 PolarHBondContact O-ND2 2.81Å; S47-N67 WeakPolarHBondContact CA-OD1 3.38Å; S47-N67 PolarHBondContact N-OD1 3.24Å; G48-N67 PolarHBondContact N-OD1 2.81Å; F49-N67 HydrophobicContact CB-CB 4.27Å; F49-N67 PolarHBondContact N-OD1 3.41Å; L64-N67 PolarHBondContact O-ND2 3.43Å; S65-N67 PolarHBondContact O-N 3.33Å; S65-N67 PolarHBondContact O-ND2 3.45Å; N67-I69 HydrophobicContact CB-CD1 4.35Å; N67-I69 HydrophobicContact CB-CG1 4.09Å; N67-N91 VanDerWaalsContact CA-OD1 3.32Å; N67-N91 WeakPolarHBondContact CA-OD1 3.26Å; N67-N91 WeakPolarHBondContact CB-OD1 3.42Å; N67-N91 PolarHBondContact N-OD1 3.36Å; N67-N91 PolarHBondContact O-OD1 3.46Å
68	N	96.8	Very high	95	Very high	97 Å²	97	48.6 Å²	48.6	52%	0.519	24%	0.241	S	C	.	.			trans	-117.4	34.9	179.3	-161.4	42.2	0	0	0	111	F49 T50 T70 N91	F49-N68 CarbonylContact O-C 3.57Å; F49-N68 WeakPolarHBondContact O-CA 3.46Å; F49-N68 PolarHBondContact O-N 2.71Å; T50-N68 WeakPolarHBondContact CA-O 3.36Å; N68-T70 PolarHBondContact O-N 3.2Å; N68-N91 PolarHBondContact N-OD1 3.47Å
69	I	96.8	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.			trans	-71.6	121.1	-178.3	-56.1	173.2	0	0	0	107.9	F49 V52 L64 N67 L88 N91 G92 L93	F49-I69 HydrophobicContact CB-CG1 4.32Å; F49-I69 WeakPolarHBondContact O-CG1 3.46Å; F49-I69 PolarHBondContact O-N 3.44Å; V52-I69 HydrophobicContact CG2-CG2 4.36Å; L64-I69 HydrophobicContact CB-CD1 4.22Å; L64-I69 HydrophobicContact CD1-CD1 4.37Å; N67-I69 HydrophobicContact CB-CD1 4.35Å; N67-I69 HydrophobicContact CB-CG1 4.09Å; I69-L88 HydrophobicContact CD1-CD2 4.39Å; I69-N91 HydrophobicContact CB-CB 4.48Å; I69-N91 WeakPolarHBondContact CB-OD1 3.36Å; I69-N91 WeakPolarHBondContact CG1-OD1 3.38Å; I69-N91 PolarHBondContact N-OD1 3.35Å; I69-G92 CarbonylContact O-C 3.54Å; I69-G92 WeakPolarHBondContact O-CA 3.44Å; I69-G92 PolarHBondContact O-N 2.91Å; I69-L93 HydrophobicContact CB-CD2 4.45Å; I69-L93 HydrophobicContact CG2-CD2 3.76Å; I69-L93 PolarHBondContact O-N 2.93Å
70	T	96.1	Very high	95	Very high	65 Å²	65	48.5 Å²	48.5	40%	0.399	25%	0.252	S	S	.	.			trans	-101.3	-36.1	-174.9	48.2	0	0	0	0	113.2	N68 G92 L93 A94	N68-T70 PolarHBondContact O-N 3.2Å; T70-G92 WeakPolarHBondContact CA-O 3.28Å; T70-L93 CarbonylContact O-C 3.55Å; T70-L93 VanDerWaalsContact O-CA 3.25Å; T70-L93 WeakPolarHBondContact O-CA 3.41Å; T70-A94 PolarHBondContact O-N 2.89Å
71	N	95	Very high	94.8	Very high	72 Å²	72	47.6 Å²	47.6	39%	0.385	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	148.2	-178.7	-69.1	4.1	0	0	0	110.6	E95	N71-E95 VanDerWaalsContact CA-O 3.31Å; N71-E95 WeakPolarHBondContact CA-O 3.37Å
72	M	95.8	Very high	94.7	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.6	172.6	-173.5	172.5	-65.3	0	0	111.1	V52 L77 L88 L93 E95 I96 H97 A100 F101	V52-M72 HydrophobicContact CG2-CE 3.77Å; V52-M72 HydrophobicContact CG2-CG 4.33Å; M72-L77 HydrophobicContact CE-CD1 4.48Å; M72-L77 HydrophobicContact SD-CD1 4.18Å; M72-L88 HydrophobicContact CE-CD1 3.36Å; M72-L88 HydrophobicContact CE-CD2 3.66Å; M72-L88 HydrophobicContact CE-CG 4.15Å; M72-L88 HydrophobicContact SD-CD1 4.46Å; M72-L93 HydrophobicContact CB-CD2 4.28Å; M72-E95 PolarHBondContact N-O 2.94Å; M72-I96 HydrophobicContact CB-CG1 4.37Å; M72-I96 HydrophobicContact CB-CG2 4.32Å; M72-H97 WeakPolarHBondContact O-CB 3.3Å; M72-H97 PolarHBondContact O-N 3.11Å; M72-A100 HydrophobicContact CG-CB 3.93Å; M72-A100 HydrophobicContact SD-CB 4.02Å; M72-F101 HydrophobicContact CE-CE1 4.39Å; M72-F101 HydrophobicContact SD-CD1 4.28Å; M72-F101 HydrophobicContact SD-CE1 3.4Å; M72-F101 WeakPolarHBondContact SD-CE1 3.42Å; M72-F101 HydrophobicContact SD-CZ 3.88Å
73	T	94.5	Very high	94.7	Very high	60 Å²	60	47.8 Å²	47.8	37%	0.368	25%	0.251	S	S	.	.			trans	-98	168.6	-177.8	73.3	0	0	0	0	111.9	D75 D76	T73-D75 PolarHBondContact O-N 2.67Å; T73-D76 WeakPolarHBondContact CB-OD2 3.25Å; T73-D76 PolarHBondContact N-OD2 3.48Å; T73-D76 PolarHBondContact OG1-OD1 3.4Å; T73-D76 PolarHBondContact OG1-OD2 3Å
74	K	94.1	Very high	94.7	Very high	108 Å²	108	51.1 Å²	51.1	47%	0.47	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25	177.9	72.4	179.7	-174.3	173.5	0	113.8
75	D	91.5	Very high	94.8	Very high	80 Å²	80	51.8 Å²	51.8	43%	0.428	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.7	-170.5	-57.8	-50.9	0	0	0	112.1	T73 L77 M78	T73-D75 PolarHBondContact O-N 2.67Å; D75-L77 PolarHBondContact O-N 3.5Å; D75-M78 PolarHBondContact O-N 2.89Å; D75-M78 WeakPolarHBondContact OD1-CE 3.35Å
76	D	92.8	Very high	94.8	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.07	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-35.4	-170.8	-73.7	-29.8	0	0	0	114.2	R30 V52 T73	R30-D76 IonicContact CZ-OD1 2.98Å; R30-D76 IonicContact NH1-OD1 3.74Å; R30-D76 PolarHBondContact NH1-OD1 3.27Å; V52-D76 HydrophobicContact CB-CB 3.76Å; V52-D76 HydrophobicContact CG1-CB 4.08Å; V52-D76 HydrophobicContact CG2-CB 3.99Å; T73-D76 WeakPolarHBondContact CB-OD2 3.25Å; T73-D76 PolarHBondContact N-OD2 3.48Å; T73-D76 PolarHBondContact OG1-OD1 3.4Å; T73-D76 PolarHBondContact OG1-OD2 3Å
77	L	92.8	Very high	94.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	17.5	177.6	-64.3	175.5	0	0	0	112.3	V52 L62 M72 D75 G79 H80 L86 L104	V52-L77 HydrophobicContact CG1-CD2 3.98Å; V52-L77 HydrophobicContact CG1-CG 4.38Å; L62-L77 HydrophobicContact CD2-CD2 3.98Å; M72-L77 HydrophobicContact CE-CD1 4.48Å; M72-L77 HydrophobicContact SD-CD1 4.18Å; D75-L77 PolarHBondContact O-N 3.5Å; L77-G79 PolarHBondContact O-N 3.42Å; L77-H80 PolarHBondContact O-N 3.47Å; L77-H80 PolarHBondContact O-ND1 3.31Å; L77-L86 HydrophobicContact CD1-CD1 4.36Å; L77-L86 HydrophobicContact CD1-CD2 3.55Å; L77-L104 HydrophobicContact CB-CD2 4.36Å; L77-L104 HydrophobicContact CD1-CD1 4.13Å
78	M	90.9	Very high	94.9	Very high	106 Å²	106	48.3 Å²	48.3	52%	0.522	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	134.6	177.1	-170.3	179.9	-67.8	0	0	110	D75 H80	D75-M78 PolarHBondContact O-N 2.89Å; D75-M78 WeakPolarHBondContact OD1-CE 3.35Å; M78-H80 VanDerWaalsContact C-N 3.34Å; M78-H80 PolarHBondContact O-N 3.19Å; M78-H80 PolarHBondContact O-ND1 3.13Å
79	G	86.9	Confident	94.9	Very high	45 Å²	45	45.5 Å²	45.5	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-5.6	178.8	0	0	0	0	0	116.4	L77 S81	L77-G79 PolarHBondContact O-N 3.42Å; G79-S81 PolarHBondContact O-N 3Å
80	H	93.1	Very high	95	Very high	18 Å²	18	46.9 Å²	46.9	8%	0.083	25%	0.247	C	C	.	.			trans	-80.1	51.3	179.4	-65.7	77.8	0	0	0	112.8	L77 M78 R82 L83 L104	L77-H80 PolarHBondContact O-N 3.47Å; L77-H80 PolarHBondContact O-ND1 3.31Å; M78-H80 VanDerWaalsContact C-N 3.34Å; M78-H80 PolarHBondContact O-N 3.19Å; M78-H80 PolarHBondContact O-ND1 3.13Å; H80-R82 PolarHBondContact O-N 3.02Å; H80-L83 HydrophobicContact CB-CB 4.41Å; H80-L83 WeakPolarHBondContact O-CB 3.45Å; H80-L83 PolarHBondContact O-N 3.12Å; H80-L104 HydrophobicContact CB-CD2 3.86Å; H80-L104 VanDerWaalsContact O-CD2 3.31Å; H80-L104 WeakPolarHBondContact O-CD2 3.49Å
81	S	93.6	Very high	95.1	Very high	37 Å²	37	44.4 Å²	44.4	26%	0.259	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.4	-170.6	56.9	0	0	0	0	115.6	G79 S103 S106	G79-S81 PolarHBondContact O-N 3Å; S81-S103 WeakPolarHBondContact CA-O 3.43Å; S81-S106 WeakPolarHBondContact O-CB 3.47Å; S81-S106 PolarHBondContact O-OG 3.36Å
82	R	94.6	Very high	95.2	Very high	139 Å²	139	41.7 Å²	41.7	53%	0.525	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.3	-179.4	-50.2	-174.9	95.9	179.1	5.4	112.7	L60 H80 R84	L60-R82 HydrophobicContact CD2-CB 4.05Å; L60-R82 VanDerWaalsContact CD2-O 3.28Å; L60-R82 WeakPolarHBondContact CD2-O 3.31Å; H80-R82 PolarHBondContact O-N 3.02Å; R82-R84 PolarHBondContact O-N 3.46Å
83	L	96.8	Very high	95.3	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.			trans	-65	125.2	-176.1	-166.2	70.4	0	0	0	109.9	A59 L62 H80 L86 L104 S106 L107	A59-L83 HydrophobicContact CB-CD1 4.22Å; L62-L83 HydrophobicContact CB-CD1 3.7Å; L62-L83 HydrophobicContact CB-CD2 4.33Å; H80-L83 HydrophobicContact CB-CB 4.41Å; H80-L83 WeakPolarHBondContact O-CB 3.45Å; H80-L83 PolarHBondContact O-N 3.12Å; L83-L86 HydrophobicContact CD2-CB 3.99Å; L83-L86 HydrophobicContact CD2-CD1 4.26Å; L83-L86 HydrophobicContact CD2-CG 4.49Å; L83-L104 HydrophobicContact CB-CD2 4.34Å; L83-L104 HydrophobicContact CD2-CD2 4.24Å; L83-S106 CarbonylContact O-C 3.54Å; L83-L107 HydrophobicContact CB-CD1 4.49Å; L83-L107 HydrophobicContact CD2-CD1 4.21Å; L83-L107 HydrophobicContact CG-CD1 4.11Å; L83-L107 WeakPolarHBondContact O-CA 3.45Å; L83-L107 PolarHBondContact O-N 2.8Å
84	R	97.9	Very high	95.3	Very high	108 Å²	108	40.8 Å²	40.8	41%	0.408	22%	0.22	S	C	.	.			trans	-104.9	-32.9	-179.1	-64.2	179.3	68.2	-164.3	-0.6	112.6	L60 R82 S106 E108 E109	L60-R84 WeakPolarHBondContact O-CA 3.43Å; L60-R84 PolarHBondContact O-N 3.04Å; R82-R84 PolarHBondContact O-N 3.46Å; R84-S106 WeakPolarHBondContact CA-O 3.28Å; R84-E108 IonicContact CZ-OE1 3.03Å; R84-E108 IonicContact CZ-OE2 3.21Å; R84-E108 IonicContact NE-OE1 3.59Å; R84-E108 PolarHBondContact NE-OE1 3.08Å; R84-E108 IonicContact NE-OE2 2.78Å; R84-E108 PolarHBondContact NE-OE2 3.47Å; R84-E108 VanDerWaalsContact NE-OE2 3.1Å; R84-E108 IonicContact NH2-OE1 3.56Å; R84-E108 PolarHBondContact NH2-OE1 3.27Å; R84-E108 IonicContact NH2-OE2 3.3Å; R84-E108 PolarHBondContact NH2-OE2 3.3Å; R84-E108 WeakPolarHBondContact O-CA 3.5Å; R84-E108 PolarHBondContact O-N 2.83Å; R84-E109 PolarHBondContact O-N 3.23Å
85	A	98.3	Very high	95.4	Very high	14 Å²	14	42 Å²	42	12%	0.116	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.2	175.7	0	0	0	0	0	110.9	L60 R61 L62 E109	L60-A85 PolarHBondContact O-N 3.07Å; R61-A85 WeakPolarHBondContact CA-O 3.23Å; R61-A85 HydrophobicContact CB-CB 4.23Å; R61-A85 HydrophobicContact CG-CB 3.86Å; L62-A85 PolarHBondContact N-O 3.41Å; A85-E109 WeakPolarHBondContact CA-O 3.45Å; A85-E109 HydrophobicContact CB-CB 4Å; A85-E109 HydrophobicContact CB-CG 4.47Å
86	L	98.3	Very high	95.6	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	119.1	175.3	177	59.6	0	0	0	109.4	L62 L77 L83 L88 F101 L104 L107 E109 L110 D111	L62-L86 HydrophobicContact CB-CD1 4.24Å; L62-L86 HydrophobicContact CD2-CD1 4.05Å; L62-L86 HydrophobicContact CG-CD1 4.14Å; L77-L86 HydrophobicContact CD1-CD1 4.36Å; L77-L86 HydrophobicContact CD1-CD2 3.55Å; L83-L86 HydrophobicContact CD2-CB 3.99Å; L83-L86 HydrophobicContact CD2-CD1 4.26Å; L83-L86 HydrophobicContact CD2-CG 4.49Å; L86-L88 HydrophobicContact CD1-CD1 4.32Å; L86-L88 HydrophobicContact CD1-CG 4.17Å; L86-L88 HydrophobicContact CD2-CD1 3.86Å; L86-L88 HydrophobicContact CG-CD1 3.94Å; L86-L88 HydrophobicContact CG-CG 4.16Å; L86-F101 HydrophobicContact CD2-CD1 4.4Å; L86-F101 HydrophobicContact CD2-CE1 4Å; L86-L104 HydrophobicContact CD2-CD1 3.98Å; L86-L107 HydrophobicContact CB-CD1 3.84Å; L86-L107 HydrophobicContact CB-CD2 4.41Å; L86-E109 PolarHBondContact N-O 3.25Å; L86-L110 HydrophobicContact CB-CD1 4.2Å; L86-L110 HydrophobicContact CD2-CD1 4.02Å; L86-L110 HydrophobicContact CG-CD1 4.17Å; L86-L110 WeakPolarHBondContact O-CA 3.43Å; L86-D111 PolarHBondContact O-N 3.09Å
87	D	98.4	Very high	95.8	Very high	43 Å²	43	42 Å²	42	23%	0.23	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.8	178.4	-170.7	-16.7	0	0	0	110.2	L62 L64 S65 H89	L62-D87 PolarHBondContact O-N 3.34Å; L64-D87 CarbonylContact C-O 3.35Å; L64-D87 WeakPolarHBondContact CA-O 3.2Å; L64-D87 WeakPolarHBondContact CB-O 3.31Å; L64-D87 PolarHBondContact N-O 3.34Å; S65-D87 PolarHBondContact N-O 3.43Å; D87-H89 VanDerWaalsContact CG-CD2 3.46Å; D87-H89 VanDerWaalsContact OD1-CB 3.28Å; D87-H89 WeakPolarHBondContact OD1-CB 3.23Å; D87-H89 IonicContact OD1-CD2 2.72Å; D87-H89 PolarHBondContact OD1-CD2 3.23Å; D87-H89 IonicContact OD1-CG 3.44Å; D87-H89 PolarHBondContact OD1-N 2.84Å; D87-H89 IonicContact OD2-CD2 3.63Å; D87-H89 PolarHBondContact OD2-CD2 3.05Å; D87-H89 VanDerWaalsContact OD2-CD2 3.25Å
88	L	98	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.			trans	-122.2	19.1	177.3	-68.5	156	0	0	0	111	L64 I69 M72 L86 N91 L93 D111 L112 N115	L64-L88 HydrophobicContact CB-CD2 3.96Å; L64-L88 HydrophobicContact CD1-CD2 3.95Å; I69-L88 HydrophobicContact CD1-CD2 4.39Å; M72-L88 HydrophobicContact CE-CD1 3.36Å; M72-L88 HydrophobicContact CE-CD2 3.66Å; M72-L88 HydrophobicContact CE-CG 4.15Å; M72-L88 HydrophobicContact SD-CD1 4.46Å; L86-L88 HydrophobicContact CD1-CD1 4.32Å; L86-L88 HydrophobicContact CD1-CG 4.17Å; L86-L88 HydrophobicContact CD2-CD1 3.86Å; L86-L88 HydrophobicContact CG-CD1 3.94Å; L86-L88 HydrophobicContact CG-CG 4.16Å; L88-N91 PolarHBondContact O-ND2 2.62Å; L88-N91 VanDerWaalsContact O-ND2 3.1Å; L88-L93 HydrophobicContact CB-CD1 3.99Å; L88-L93 HydrophobicContact CD1-CD1 4.31Å; L88-L93 HydrophobicContact CD2-CD1 4.39Å; L88-L93 HydrophobicContact CG-CD1 4.48Å; L88-D111 WeakPolarHBondContact CB-O 3.48Å; L88-D111 PolarHBondContact N-O 3.29Å; L88-L112 HydrophobicContact CB-CD2 4.13Å; L88-L112 HydrophobicContact CD1-CD2 3.7Å; L88-N115 PolarHBondContact O-ND2 3.34Å
89	H	97.6	Very high	96.2	Very high	39 Å²	39	41.1 Å²	41.1	18%	0.181	23%	0.227	C	C	.	.			trans	-63.1	154.8	-174.2	88.9	71.6	0	0	0	111.4	S65 F66 D87 N91 D111 S113	S65-H89 CarbonylContact C-O 3.55Å; S65-H89 VanDerWaalsContact CA-O 3.23Å; S65-H89 WeakPolarHBondContact CA-O 3.34Å; S65-H89 WeakPolarHBondContact CB-CD2 3.27Å; S65-H89 WeakPolarHBondContact CB-NE2 3.33Å; F66-H89 AromaticContact CD2-CE1 3.37Å; F66-H89 WeakPolarHBondContact CD2-CE1 3.33Å; F66-H89 AromaticContact CD2-NE2 3.8Å; F66-H89 AromaticContact CE1-CE1 3.98Å; F66-H89 AromaticContact CE2-CE1 2.98Å; F66-H89 WeakPolarHBondContact CE2-CE1 3.33Å; F66-H89 AromaticContact CE2-NE2 3.46Å; F66-H89 WeakPolarHBondContact CE2-NE2 3.4Å; F66-H89 AromaticContact CZ-CE1 3.33Å; F66-H89 WeakPolarHBondContact CZ-CE1 3.32Å; F66-H89 PolarHBondContact N-O 2.89Å; D87-H89 VanDerWaalsContact CG-CD2 3.46Å; D87-H89 VanDerWaalsContact OD1-CB 3.28Å; D87-H89 WeakPolarHBondContact OD1-CB 3.23Å; D87-H89 IonicContact OD1-CD2 2.72Å; D87-H89 PolarHBondContact OD1-CD2 3.23Å; D87-H89 IonicContact OD1-CG 3.44Å; D87-H89 PolarHBondContact OD1-N 2.84Å; D87-H89 IonicContact OD2-CD2 3.63Å; D87-H89 PolarHBondContact OD2-CD2 3.05Å; D87-H89 VanDerWaalsContact OD2-CD2 3.25Å; H89-N91 VanDerWaalsContact C-N 3.35Å; H89-N91 PolarHBondContact O-N 3.28Å; H89-N91 PolarHBondContact O-ND2 3.32Å; H89-D111 HydrophobicContact CB-CB 4.47Å; H89-S113 WeakPolarHBondContact CA-O 3.26Å
90	A	97.8	Very high	96.6	Very high	28 Å²	28	39.1 Å²	39.1	23%	0.231	21%	0.207	C	C	.	.	S	Bend	trans	51	50.4	176.6	0	0	0	0	0	113.4	F66 S113 D114	F66-A90 VanDerWaalsContact CA-O 3.28Å; F66-A90 WeakPolarHBondContact CA-O 3.3Å; F66-A90 HydrophobicContact CD1-CB 3.63Å; F66-A90 HydrophobicContact CE1-CB 3.86Å; F66-A90 HydrophobicContact CG-CB 4.17Å; F66-A90 PolarHBondContact N-O 3.01Å; A90-S113 PolarHBondContact N-O 2.91Å; A90-D114 VanDerWaalsContact CA-O 3.28Å; A90-D114 WeakPolarHBondContact CA-O 3.27Å; A90-D114 HydrophobicContact CB-CB 4.38Å
91	N	98.1	Very high	96.7	Very high	13 Å²	13	38.3 Å²	38.3	7%	0.07	20%	0.203	C	C	.	.	S	Bend	trans	-113.8	-171.1	172.5	-89.3	-86.8	0	0	0	110	L64 N67 N68 I69 L88 H89 L93 D114 N115	L64-N91 PolarHBondContact O-ND2 3.48Å; N67-N91 VanDerWaalsContact CA-OD1 3.32Å; N67-N91 WeakPolarHBondContact CA-OD1 3.26Å; N67-N91 WeakPolarHBondContact CB-OD1 3.42Å; N67-N91 PolarHBondContact N-OD1 3.36Å; N67-N91 PolarHBondContact O-OD1 3.46Å; N68-N91 PolarHBondContact N-OD1 3.47Å; I69-N91 HydrophobicContact CB-CB 4.48Å; I69-N91 WeakPolarHBondContact CB-OD1 3.36Å; I69-N91 WeakPolarHBondContact CG1-OD1 3.38Å; I69-N91 PolarHBondContact N-OD1 3.35Å; L88-N91 PolarHBondContact O-ND2 2.62Å; L88-N91 VanDerWaalsContact O-ND2 3.1Å; H89-N91 VanDerWaalsContact C-N 3.35Å; H89-N91 PolarHBondContact O-N 3.28Å; H89-N91 PolarHBondContact O-ND2 3.32Å; N91-L93 HydrophobicContact CB-CG 4.34Å; N91-D114 PolarHBondContact N-O 3.41Å; N91-N115 VanDerWaalsContact CA-OD1 3.29Å; N91-N115 WeakPolarHBondContact CA-OD1 3.42Å; N91-N115 WeakPolarHBondContact CB-OD1 3.16Å; N91-N115 PolarHBondContact N-OD1 3.36Å; N91-N115 PolarHBondContact O-OD1 3.35Å
92	G	96.9	Very high	96.7	Very high	15 Å²	15	39.4 Å²	39.4	16%	0.155	21%	0.206	C	C	.	.			trans	-101.4	21.8	174.8	0	0	0	0	0	113.5	I69 T70 A94	I69-G92 CarbonylContact O-C 3.54Å; I69-G92 WeakPolarHBondContact O-CA 3.44Å; I69-G92 PolarHBondContact O-N 2.91Å; T70-G92 WeakPolarHBondContact CA-O 3.28Å; G92-A94 PolarHBondContact O-N 2.8Å
93	L	97.7	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.			trans	-62.9	112.3	-167.4	-73.5	167.8	0	0	0	111	I69 T70 M72 L88 N91 L112 N115 Q116 L117	I69-L93 HydrophobicContact CB-CD2 4.45Å; I69-L93 HydrophobicContact CG2-CD2 3.76Å; I69-L93 PolarHBondContact O-N 2.93Å; T70-L93 CarbonylContact O-C 3.55Å; T70-L93 VanDerWaalsContact O-CA 3.25Å; T70-L93 WeakPolarHBondContact O-CA 3.41Å; M72-L93 HydrophobicContact CB-CD2 4.28Å; L88-L93 HydrophobicContact CB-CD1 3.99Å; L88-L93 HydrophobicContact CD1-CD1 4.31Å; L88-L93 HydrophobicContact CD2-CD1 4.39Å; L88-L93 HydrophobicContact CG-CD1 4.48Å; N91-L93 HydrophobicContact CB-CG 4.34Å; L93-L112 HydrophobicContact CD1-CD2 4.39Å; L93-N115 HydrophobicContact CB-CB 4.04Å; L93-N115 VanDerWaalsContact CB-OD1 3.23Å; L93-N115 WeakPolarHBondContact CB-OD1 3.3Å; L93-N115 PolarHBondContact N-OD1 2.87Å; L93-Q116 CarbonylContact O-C 3.2Å; L93-Q116 VanDerWaalsContact O-CA 3.27Å; L93-Q116 WeakPolarHBondContact O-CA 3.42Å; L93-Q116 PolarHBondContact O-N 2.71Å; L93-L117 HydrophobicContact CB-CD2 4.34Å; L93-L117 WeakPolarHBondContact O-CD2 3.25Å; L93-L117 PolarHBondContact O-N 3.35Å
94	A	95.9	Very high	96.6	Very high	47 Å²	47	34.6 Å²	34.6	39%	0.388	19%	0.194	S	C	.	.			trans	-104.2	-34.1	175.6	0	0	0	0	0	111.5	T70 G92 Q116	T70-A94 PolarHBondContact O-N 2.89Å; G92-A94 PolarHBondContact O-N 2.8Å; A94-Q116 HydrophobicContact CB-CB 4.29Å
95	E	95.1	Very high	96.3	Very high	132 Å²	132	36.8 Å²	36.8	62%	0.617	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	-178.3	-64.6	-176.3	175.9	0	0	112.1	N71 M72	N71-E95 VanDerWaalsContact CA-O 3.31Å; N71-E95 WeakPolarHBondContact CA-O 3.37Å; M72-E95 PolarHBondContact N-O 2.94Å
96	I	96.9	Very high	96.3	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	121.4	172.2	-58.8	170.4	0	0	0	107.9	M72 A100 F101 L112 L117 W124	M72-I96 HydrophobicContact CB-CG1 4.37Å; M72-I96 HydrophobicContact CB-CG2 4.32Å; I96-A100 HydrophobicContact CG2-CB 3.8Å; I96-F101 HydrophobicContact CD1-CZ 4.35Å; I96-F101 HydrophobicContact CG2-CE2 3.88Å; I96-F101 HydrophobicContact CG2-CZ 3.94Å; I96-L112 HydrophobicContact CD1-CD1 4.25Å; I96-L112 HydrophobicContact CD1-CD2 4.02Å; I96-L117 HydrophobicContact CD1-CD1 4.11Å; I96-L117 HydrophobicContact CD1-CD2 3.89Å; I96-L117 HydrophobicContact CG1-CD2 4.09Å; I96-W124 HydrophobicContact CB-CD2 4.46Å; I96-W124 HydrophobicContact CB-CZ2 3.79Å; I96-W124 HydrophobicContact CD1-CH2 4.37Å; I96-W124 HydrophobicContact CD1-CZ2 4.4Å; I96-W124 HydrophobicContact CD1-CZ3 4.47Å; I96-W124 HydrophobicContact CG1-CZ2 4.44Å; I96-W124 HydrophobicContact CG2-CD2 4.47Å; I96-W124 HydrophobicContact CG2-CG 4.44Å; I96-W124 PolarHBondContact O-NE1 3.23Å
97	H	97	Very high	96.2	Very high	83 Å²	83	37 Å²	37	38%	0.384	20%	0.203	S	C	.	.			trans	-58.3	138.3	178.2	-173.8	-84.4	0	0	0	110.6	M72 S99 A100	M72-H97 WeakPolarHBondContact O-CB 3.3Å; M72-H97 PolarHBondContact O-N 3.11Å; H97-S99 PolarHBondContact ND1-N 2.85Å; H97-S99 PolarHBondContact O-N 3.34Å; H97-A100 HydrophobicContact CB-CB 4.42Å; H97-A100 VanDerWaalsContact O-CB 3.24Å; H97-A100 WeakPolarHBondContact O-CB 3.48Å; H97-A100 PolarHBondContact O-N 3.14Å
98	P	94.9	Very high	96.2	Very high	40 Å²	40	36.7 Å²	36.7	26%	0.26	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.5	-173.3	-28.9	35.4	0	0	0	116.1	K123	P98-K123 HydrophobicContact CB-CB 4Å; P98-K123 HydrophobicContact CB-CD 3.85Å
99	S	95.6	Very high	96.3	Very high	48 Å²	48	39.9 Å²	39.9	34%	0.336	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11.1	179.1	-70.6	0	0	0	0	114.3	H97 F101 D102	H97-S99 PolarHBondContact ND1-N 2.85Å; H97-S99 PolarHBondContact O-N 3.34Å; S99-F101 PolarHBondContact O-N 2.88Å; S99-D102 WeakPolarHBondContact CA-OD2 3.29Å; S99-D102 WeakPolarHBondContact CB-OD2 3.33Å; S99-D102 PolarHBondContact O-N 3.26Å; S99-D102 PolarHBondContact OG-OD2 3.29Å
100	A	96.2	Very high	96.3	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.025	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.1	-177	0	0	0	0	0	113.4	M72 I96 H97	M72-A100 HydrophobicContact CG-CB 3.93Å; M72-A100 HydrophobicContact SD-CB 4.02Å; I96-A100 HydrophobicContact CG2-CB 3.8Å; H97-A100 HydrophobicContact CB-CB 4.42Å; H97-A100 VanDerWaalsContact O-CB 3.24Å; H97-A100 WeakPolarHBondContact O-CB 3.48Å; H97-A100 PolarHBondContact O-N 3.14Å
101	F	96.1	Very high	96.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.2	-177.5	-51.7	-48	0	0	0	114	M72 L86 I96 S99 S103 L104 L110 L112 W124 L128	M72-F101 HydrophobicContact CE-CE1 4.39Å; M72-F101 HydrophobicContact SD-CD1 4.28Å; M72-F101 HydrophobicContact SD-CE1 3.4Å; M72-F101 WeakPolarHBondContact SD-CE1 3.42Å; M72-F101 HydrophobicContact SD-CZ 3.88Å; L86-F101 HydrophobicContact CD2-CD1 4.4Å; L86-F101 HydrophobicContact CD2-CE1 4Å; I96-F101 HydrophobicContact CD1-CZ 4.35Å; I96-F101 HydrophobicContact CG2-CE2 3.88Å; I96-F101 HydrophobicContact CG2-CZ 3.94Å; S99-F101 PolarHBondContact O-N 2.88Å; F101-S103 PolarHBondContact O-N 3.37Å; F101-S103 VanDerWaalsContact O-N 3.1Å; F101-L104 HydrophobicContact CB-CD1 4.15Å; F101-L104 HydrophobicContact CD1-CD1 3.69Å; F101-L104 HydrophobicContact CG-CD1 4.34Å; F101-L104 WeakPolarHBondContact O-CB 3.17Å; F101-L104 PolarHBondContact O-N 2.85Å; F101-L110 HydrophobicContact CE2-CD2 4.38Å; F101-L112 HydrophobicContact CE2-CD1 4.46Å; F101-L112 HydrophobicContact CZ-CD2 4.31Å; F101-W124 HydrophobicContact CD2-CB 3.88Å; F101-W124 HydrophobicContact CD2-CG 4.48Å; F101-W124 WeakPolarHBondContact CD2-O 3.47Å; F101-W124 HydrophobicContact CE2-CB 4.1Å; F101-W124 HydrophobicContact CE2-CG 4.38Å; F101-L128 HydrophobicContact CB-CD1 4.46Å; F101-L128 HydrophobicContact CB-CD2 4.38Å
102	D	93.4	Very high	96.4	Very high	60 Å²	60	38 Å²	38	32%	0.321	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.4	-173.9	-80.6	-14	0	0	0	113.3	S99 N127	S99-D102 WeakPolarHBondContact CA-OD2 3.29Å; S99-D102 WeakPolarHBondContact CB-OD2 3.33Å; S99-D102 PolarHBondContact O-N 3.26Å; S99-D102 PolarHBondContact OG-OD2 3.29Å; D102-N127 PolarHBondContact OD1-ND2 2.78Å
103	S	92.3	Very high	96.4	Very high	39 Å²	39	37.6 Å²	37.6	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-11.4	178.2	-62.9	0	0	0	0	114	S81 F101 W105	S81-S103 WeakPolarHBondContact CA-O 3.43Å; F101-S103 PolarHBondContact O-N 3.37Å; F101-S103 VanDerWaalsContact O-N 3.1Å; S103-W105 VanDerWaalsContact C-N 3.33Å; S103-W105 PolarHBondContact O-N 3.42Å
104	L	95.5	Very high	96.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.214	C	C	.	.			trans	-92.7	46.5	-167.8	-52.4	-176.3	0	0	0	113	L77 H80 L83 L86 F101 S106 L107 L128	L77-L104 HydrophobicContact CB-CD2 4.36Å; L77-L104 HydrophobicContact CD1-CD1 4.13Å; H80-L104 HydrophobicContact CB-CD2 3.86Å; H80-L104 VanDerWaalsContact O-CD2 3.31Å; H80-L104 WeakPolarHBondContact O-CD2 3.49Å; L83-L104 HydrophobicContact CB-CD2 4.34Å; L83-L104 HydrophobicContact CD2-CD2 4.24Å; L86-L104 HydrophobicContact CD2-CD1 3.98Å; F101-L104 HydrophobicContact CB-CD1 4.15Å; F101-L104 HydrophobicContact CD1-CD1 3.69Å; F101-L104 HydrophobicContact CG-CD1 4.34Å; F101-L104 WeakPolarHBondContact O-CB 3.17Å; F101-L104 PolarHBondContact O-N 2.85Å; L104-S106 PolarHBondContact O-N 3.09Å; L104-S106 VanDerWaalsContact O-N 3.13Å; L104-L107 HydrophobicContact CB-CB 4.13Å; L104-L107 HydrophobicContact CB-CD2 4.46Å; L104-L107 HydrophobicContact CD1-CD2 4.21Å; L104-L107 VanDerWaalsContact O-CB 3.22Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 3.27Å; L104-L128 HydrophobicContact CB-CD2 4.06Å; L104-L128 WeakPolarHBondContact O-CD2 3.43Å
105	W	93.1	Very high	96.6	Very high	154 Å²	154	38.7 Å²	38.7	58%	0.583	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-13	-175.8	51.2	-91.3	0	0	0	114.6	S103	S103-W105 VanDerWaalsContact C-N 3.33Å; S103-W105 PolarHBondContact O-N 3.42Å
106	S	96.6	Very high	96.7	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.14	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.2	173.3	-57.5	0	0	0	0	114	S81 L83 R84 L104 E108	S81-S106 WeakPolarHBondContact O-CB 3.47Å; S81-S106 PolarHBondContact O-OG 3.36Å; L83-S106 CarbonylContact O-C 3.54Å; R84-S106 WeakPolarHBondContact CA-O 3.28Å; L104-S106 PolarHBondContact O-N 3.09Å; L104-S106 VanDerWaalsContact O-N 3.13Å; S106-E108 PolarHBondContact O-N 3.03Å
107	L	97.9	Very high	96.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.			trans	-74.3	123.5	-174.1	-158.6	73.8	0	0	0	111.1	L83 L86 L104 L110 L128 I130 L131	L83-L107 HydrophobicContact CB-CD1 4.49Å; L83-L107 HydrophobicContact CD2-CD1 4.21Å; L83-L107 HydrophobicContact CG-CD1 4.11Å; L83-L107 WeakPolarHBondContact O-CA 3.45Å; L83-L107 PolarHBondContact O-N 2.8Å; L86-L107 HydrophobicContact CB-CD1 3.84Å; L86-L107 HydrophobicContact CB-CD2 4.41Å; L104-L107 HydrophobicContact CB-CB 4.13Å; L104-L107 HydrophobicContact CB-CD2 4.46Å; L104-L107 HydrophobicContact CD1-CD2 4.21Å; L104-L107 VanDerWaalsContact O-CB 3.22Å; L104-L107 WeakPolarHBondContact O-CB 3.47Å; L104-L107 PolarHBondContact O-N 3.27Å; L107-L110 HydrophobicContact CD2-CB 3.92Å; L107-L110 HydrophobicContact CD2-CD1 4.23Å; L107-L110 HydrophobicContact CD2-CD2 4.41Å; L107-L110 HydrophobicContact CD2-CG 4.41Å; L107-L128 HydrophobicContact CB-CD2 4.32Å; L107-L128 HydrophobicContact CD2-CD1 4.23Å; L107-I130 WeakPolarHBondContact O-CG1 3.47Å; L107-L131 HydrophobicContact CB-CD1 4.44Å; L107-L131 HydrophobicContact CD2-CD1 4.2Å; L107-L131 HydrophobicContact CG-CD1 4.18Å; L107-L131 WeakPolarHBondContact O-CA 3.4Å; L107-L131 PolarHBondContact O-N 3.29Å
108	E	98.4	Very high	96.6	Very high	37 Å²	37	37.3 Å²	37.3	17%	0.173	20%	0.196	C	C	.	.			trans	-104	-33.2	178.1	-66.8	169	-170.4	0	0	111.2	R84 S106 I130 E132 N133	R84-E108 IonicContact CZ-OE1 3.03Å; R84-E108 IonicContact CZ-OE2 3.21Å; R84-E108 IonicContact NE-OE1 3.59Å; R84-E108 PolarHBondContact NE-OE1 3.08Å; R84-E108 IonicContact NE-OE2 2.78Å; R84-E108 PolarHBondContact NE-OE2 3.47Å; R84-E108 VanDerWaalsContact NE-OE2 3.1Å; R84-E108 IonicContact NH2-OE1 3.56Å; R84-E108 PolarHBondContact NH2-OE1 3.27Å; R84-E108 IonicContact NH2-OE2 3.3Å; R84-E108 PolarHBondContact NH2-OE2 3.3Å; R84-E108 WeakPolarHBondContact O-CA 3.5Å; R84-E108 PolarHBondContact O-N 2.83Å; S106-E108 PolarHBondContact O-N 3.03Å; E108-I130 HydrophobicContact CG-CD1 4.36Å; E108-E132 PolarHBondContact O-N 3.09Å; E108-N133 PolarHBondContact O-N 3.06Å
109	E	98.7	Very high	96.6	Very high	68 Å²	68	40.6 Å²	40.6	32%	0.318	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	126	-177	-48.1	-171.2	147.4	0	0	110.8	R84 A85 L86 N133 R158	R84-E109 PolarHBondContact O-N 3.23Å; A85-E109 WeakPolarHBondContact CA-O 3.45Å; A85-E109 HydrophobicContact CB-CB 4Å; A85-E109 HydrophobicContact CB-CG 4.47Å; L86-E109 PolarHBondContact N-O 3.25Å; E109-N133 HydrophobicContact CB-CB 4.37Å; E109-N133 VanDerWaalsContact CD-ND2 3.29Å; E109-N133 HydrophobicContact CG-CB 4.29Å; E109-N133 VanDerWaalsContact CG-ND2 3.35Å; E109-N133 WeakPolarHBondContact CG-ND2 3.15Å; E109-N133 PolarHBondContact OE1-ND2 3.24Å; E109-R158 IonicContact OE1-NH2 3.44Å
110	L	98.6	Very high	96.6	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	118.2	175.6	178.4	58.9	0	0	0	110.4	L86 F101 L107 L112 L125 L128 L131 N133 L134 N135	L86-L110 HydrophobicContact CB-CD1 4.2Å; L86-L110 HydrophobicContact CD2-CD1 4.02Å; L86-L110 HydrophobicContact CG-CD1 4.17Å; L86-L110 WeakPolarHBondContact O-CA 3.43Å; F101-L110 HydrophobicContact CE2-CD2 4.38Å; L107-L110 HydrophobicContact CD2-CB 3.92Å; L107-L110 HydrophobicContact CD2-CD1 4.23Å; L107-L110 HydrophobicContact CD2-CD2 4.41Å; L107-L110 HydrophobicContact CD2-CG 4.41Å; L110-L112 HydrophobicContact CD1-CD2 4.25Å; L110-L112 HydrophobicContact CD1-CG 4.12Å; L110-L112 HydrophobicContact CD2-CD1 4.11Å; L110-L112 HydrophobicContact CD2-CG 4.44Å; L110-L112 HydrophobicContact CG-CD1 4.31Å; L110-L112 HydrophobicContact CG-CG 4.1Å; L110-L125 HydrophobicContact CD2-CD2 3.82Å; L110-L128 HydrophobicContact CD2-CD1 4.18Å; L110-L131 HydrophobicContact CB-CD1 3.9Å; L110-N133 PolarHBondContact N-O 3.21Å; L110-L134 HydrophobicContact CB-CD1 4.25Å; L110-L134 HydrophobicContact CD2-CD1 4.1Å; L110-L134 HydrophobicContact CG-CD1 4.23Å; L110-N135 PolarHBondContact O-N 3.22Å
111	D	98.8	Very high	96.4	Very high	36 Å²	36	40.8 Å²	40.8	19%	0.193	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.6	172.4	-156.7	-30.6	0	0	0	111.4	L86 L88 H89 S113 N135	L86-D111 PolarHBondContact O-N 3.09Å; L88-D111 WeakPolarHBondContact CB-O 3.48Å; L88-D111 PolarHBondContact N-O 3.29Å; H89-D111 HydrophobicContact CB-CB 4.47Å; D111-S113 VanDerWaalsContact OD1-CB 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.4Å; D111-S113 PolarHBondContact OD1-N 3.18Å; D111-S113 PolarHBondContact OD1-OG 3.33Å; D111-N135 HydrophobicContact CB-CB 4.42Å; D111-N135 PolarHBondContact OD1-ND2 3.22Å; D111-N135 PolarHBondContact OD2-ND2 3.44Å
112	L	98.3	Very high	96.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.			trans	-120.2	14.8	175.1	-64.7	173.2	0	0	0	111.6	L88 L93 I96 F101 L110 N115 L117 N135 L136 N139	L88-L112 HydrophobicContact CB-CD2 4.13Å; L88-L112 HydrophobicContact CD1-CD2 3.7Å; L93-L112 HydrophobicContact CD1-CD2 4.39Å; I96-L112 HydrophobicContact CD1-CD1 4.25Å; I96-L112 HydrophobicContact CD1-CD2 4.02Å; F101-L112 HydrophobicContact CE2-CD1 4.46Å; F101-L112 HydrophobicContact CZ-CD2 4.31Å; L110-L112 HydrophobicContact CD1-CD2 4.25Å; L110-L112 HydrophobicContact CD1-CG 4.12Å; L110-L112 HydrophobicContact CD2-CD1 4.11Å; L110-L112 HydrophobicContact CD2-CG 4.44Å; L110-L112 HydrophobicContact CG-CD1 4.31Å; L110-L112 HydrophobicContact CG-CG 4.1Å; L112-N115 PolarHBondContact O-ND2 2.93Å; L112-N115 VanDerWaalsContact O-ND2 3.08Å; L112-L117 HydrophobicContact CB-CD1 4.41Å; L112-N135 PolarHBondContact N-O 3.07Å; L112-L136 HydrophobicContact CB-CD2 4.24Å; L112-L136 HydrophobicContact CD1-CD2 4.02Å; L112-N139 PolarHBondContact O-ND2 2.95Å
113	S	98.5	Very high	96.2	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.049	23%	0.232	C	C	.	.			trans	-67.5	158.5	-175.2	86.2	0	0	0	0	113	H89 A90 D111 N115 N135 L137	H89-S113 WeakPolarHBondContact CA-O 3.26Å; A90-S113 PolarHBondContact N-O 2.91Å; D111-S113 VanDerWaalsContact OD1-CB 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.4Å; D111-S113 PolarHBondContact OD1-N 3.18Å; D111-S113 PolarHBondContact OD1-OG 3.33Å; S113-N115 VanDerWaalsContact C-N 3.33Å; S113-N115 PolarHBondContact O-N 2.98Å; S113-N115 PolarHBondContact O-ND2 2.86Å; S113-N135 WeakPolarHBondContact CB-ND2 3.4Å; S113-L137 CarbonylContact C-O 3.59Å; S113-L137 WeakPolarHBondContact CA-O 3.39Å; S113-L137 WeakPolarHBondContact CB-O 3.39Å
114	D	98.3	Very high	96.3	Very high	69 Å²	69	44 Å²	44	37%	0.369	22%	0.221	S	C	.	.	S	Bend	trans	55.8	48.2	174.4	-56.4	-82.5	0	0	0	112.2	A90 N91 L137 N138	A90-D114 VanDerWaalsContact CA-O 3.28Å; A90-D114 WeakPolarHBondContact CA-O 3.27Å; A90-D114 HydrophobicContact CB-CB 4.38Å; N91-D114 PolarHBondContact N-O 3.41Å; D114-L137 PolarHBondContact N-O 3.49Å; D114-N138 WeakPolarHBondContact OD1-CB 3.21Å; D114-N138 PolarHBondContact OD1-ND2 2.67Å
115	N	98.4	Very high	96.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.011	22%	0.221	C	C	.	.	S	Bend	trans	-119.7	-169.2	175.5	-84.2	-73.9	0	0	0	110.2	L88 N91 L93 L112 S113 L117 N139 P140	L88-N115 PolarHBondContact O-ND2 3.34Å; N91-N115 VanDerWaalsContact CA-OD1 3.29Å; N91-N115 WeakPolarHBondContact CA-OD1 3.42Å; N91-N115 WeakPolarHBondContact CB-OD1 3.16Å; N91-N115 PolarHBondContact N-OD1 3.36Å; N91-N115 PolarHBondContact O-OD1 3.35Å; L93-N115 HydrophobicContact CB-CB 4.04Å; L93-N115 VanDerWaalsContact CB-OD1 3.23Å; L93-N115 WeakPolarHBondContact CB-OD1 3.3Å; L93-N115 PolarHBondContact N-OD1 2.87Å; L112-N115 PolarHBondContact O-ND2 2.93Å; L112-N115 VanDerWaalsContact O-ND2 3.08Å; S113-N115 VanDerWaalsContact C-N 3.33Å; S113-N115 PolarHBondContact O-N 2.98Å; S113-N115 PolarHBondContact O-ND2 2.86Å; N115-L117 HydrophobicContact CB-CG 4.34Å; N115-N139 VanDerWaalsContact CA-OD1 3.29Å; N115-N139 WeakPolarHBondContact CA-OD1 3.43Å; N115-N139 WeakPolarHBondContact CB-OD1 3.3Å; N115-N139 PolarHBondContact N-OD1 2.98Å; N115-N139 PolarHBondContact O-OD1 2.78Å; N115-P140 WeakPolarHBondContact O-CD 3.41Å
116	Q	97.5	Very high	96.2	Very high	110 Å²	110	44.2 Å²	44.2	51%	0.514	23%	0.226	S	C	.	.			trans	-111	27.8	-176.3	-59.8	-62.4	-23.2	0	0	112.6	L93 A94 T118 N139	L93-Q116 CarbonylContact O-C 3.2Å; L93-Q116 VanDerWaalsContact O-CA 3.27Å; L93-Q116 WeakPolarHBondContact O-CA 3.42Å; L93-Q116 PolarHBondContact O-N 2.71Å; A94-Q116 HydrophobicContact CB-CB 4.29Å; Q116-T118 PolarHBondContact O-N 2.85Å; Q116-T118 VanDerWaalsContact O-N 3.16Å; Q116-N139 PolarHBondContact N-OD1 3.35Å
117	L	97	Very high	95.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	24%	0.237	C	C	.	.			trans	-72.1	108.7	-177.5	-56.3	173.4	0	0	0	111.3	L93 I96 L112 N115 L120 W124 N139 P140 Y141	L93-L117 HydrophobicContact CB-CD2 4.34Å; L93-L117 WeakPolarHBondContact O-CD2 3.25Å; L93-L117 PolarHBondContact O-N 3.35Å; I96-L117 HydrophobicContact CD1-CD1 4.11Å; I96-L117 HydrophobicContact CD1-CD2 3.89Å; I96-L117 HydrophobicContact CG1-CD2 4.09Å; L112-L117 HydrophobicContact CB-CD1 4.41Å; N115-L117 HydrophobicContact CB-CG 4.34Å; L117-L120 HydrophobicContact CB-CD2 4.35Å; L117-L120 HydrophobicContact CD1-CD2 4.43Å; L117-W124 HydrophobicContact CD1-CH2 4.25Å; L117-W124 HydrophobicContact CD1-CZ3 4.14Å; L117-W124 HydrophobicContact CD2-CH2 4.09Å; L117-N139 HydrophobicContact CB-CB 4.1Å; L117-N139 VanDerWaalsContact CB-OD1 3.29Å; L117-N139 WeakPolarHBondContact CB-OD1 3.36Å; L117-N139 WeakPolarHBondContact CG-OD1 3.26Å; L117-N139 PolarHBondContact N-OD1 3.41Å; L117-P140 CarbonylContact O-C 3.53Å; L117-P140 WeakPolarHBondContact O-CD 3.43Å; L117-Y141 PolarHBondContact O-N 2.87Å; L117-Y141 VanDerWaalsContact O-N 3.15Å
118	T	95.7	Very high	95.8	Very high	86 Å²	86	46.6 Å²	46.6	53%	0.528	24%	0.237	S	C	.	.	S	Bend	trans	-88.1	-23.5	178.9	56.6	0	0	0	0	113.4	Q116 P140 Y141	Q116-T118 PolarHBondContact O-N 2.85Å; Q116-T118 VanDerWaalsContact O-N 3.16Å; T118-P140 HydrophobicContact CG2-CB 4.49Å; T118-P140 HydrophobicContact CG2-CG 3.93Å; T118-Y141 WeakPolarHBondContact O-CA 3.46Å; T118-Y141 WeakPolarHBondContact O-CB 3.48Å
119	V	94.1	Very high	95.5	Very high	109 Å²	109	47.2 Å²	47.2	66%	0.661	25%	0.248	S	C	*	.	S	Bend	trans	-137.5	124.6	179.3	-178.1	0	0	0	0	109	W124	V119-W124 WeakPolarHBondContact O-CH2 3.39Å
120	L	94.8	Very high	95.4	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.244	C	C	.	.			trans	-86.7	127.7	175	-56.9	-179.8	0	0	0	110.2	L117 W124 L136 Y141 L144 M149	L117-L120 HydrophobicContact CB-CD2 4.35Å; L117-L120 HydrophobicContact CD1-CD2 4.43Å; L120-W124 HydrophobicContact CB-CZ3 4.32Å; L120-W124 HydrophobicContact CD2-CH2 4.36Å; L120-W124 HydrophobicContact CD2-CZ3 3.77Å; L120-L136 HydrophobicContact CD1-CD1 4.25Å; L120-Y141 HydrophobicContact CD1-CD1 3.83Å; L120-Y141 HydrophobicContact CD1-CD2 3.95Å; L120-Y141 HydrophobicContact CD1-CE1 3.76Å; L120-Y141 HydrophobicContact CD1-CE2 3.9Å; L120-Y141 HydrophobicContact CD1-CG 3.91Å; L120-Y141 HydrophobicContact CD2-CD1 3.67Å; L120-Y141 HydrophobicContact CD2-CE1 3.97Å; L120-Y141 HydrophobicContact CD2-CG 4.26Å; L120-Y141 HydrophobicContact CG-CD1 3.77Å; L120-Y141 HydrophobicContact CG-CD2 4.36Å; L120-Y141 HydrophobicContact CG-CE1 4.16Å; L120-Y141 HydrophobicContact CG-CG 3.87Å; L120-L144 HydrophobicContact CD1-CD2 3.86Å; L120-M149 HydrophobicContact CB-CE 4.31Å; L120-M149 HydrophobicContact CB-SD 3.84Å; L120-M149 HydrophobicContact CD1-CE 4.34Å; L120-M149 HydrophobicContact CD1-SD 3.64Å; L120-M149 HydrophobicContact CG-SD 4.36Å
121	N	93.4	Very high	95.3	Very high	49 Å²	49	46 Å²	46	26%	0.262	24%	0.244	S	C	.	.			trans	-100.8	118.7	179.6	-166.8	-32.7	0	0	0	110.9	K123 W124	N121-K123 PolarHBondContact O-N 2.86Å; N121-K123 WeakPolarHBondContact OD1-CB 3.32Å; N121-K123 PolarHBondContact OD1-N 3.27Å; N121-W124 HydrophobicContact CB-CD2 3.91Å; N121-W124 VanDerWaalsContact CB-CE2 3.48Å; N121-W124 HydrophobicContact CB-CG 4.22Å; N121-W124 HydrophobicContact CB-CH2 4.49Å; N121-W124 HydrophobicContact CB-CZ2 3.79Å; N121-W124 WeakPolarHBondContact O-CB 3.34Å; N121-W124 VanDerWaalsContact O-CG 3.3Å; N121-W124 PolarHBondContact O-N 3.49Å; N121-W124 VanDerWaalsContact O-N 3.14Å
122	P	92.3	Very high	95.3	Very high	30 Å²	30	47.5 Å²	47.5	20%	0.195	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-57	-23.2	179	-27.7	36.4	0	0	0	114.7	W124 P147 M149	P122-W124 VanDerWaalsContact C-N 3.25Å; P122-W124 PolarHBondContact O-N 3.43Å; P122-P147 WeakPolarHBondContact CG-O 3.48Å; P122-M149 HydrophobicContact CB-CB 4.1Å; P122-M149 HydrophobicContact CG-CB 4.29Å
123	K	93.2	Very high	95.3	Very high	128 Å²	128	48.7 Å²	48.7	56%	0.557	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.5	-26.7	180	-68.5	-178.3	176.5	-178.9	0	113.4	P98 N121 L125 K126	P98-K123 HydrophobicContact CB-CB 4Å; P98-K123 HydrophobicContact CB-CD 3.85Å; N121-K123 PolarHBondContact O-N 2.86Å; N121-K123 WeakPolarHBondContact OD1-CB 3.32Å; N121-K123 PolarHBondContact OD1-N 3.27Å; K123-L125 PolarHBondContact O-N 2.98Å; K123-K126 PolarHBondContact O-N 2.88Å
124	W	94.1	Very high	95.3	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.038	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-56.7	-38.1	-179.2	-62.2	-23.2	0	0	0	112.8	I96 F101 L117 V119 L120 N121 P122	I96-W124 HydrophobicContact CB-CD2 4.46Å; I96-W124 HydrophobicContact CB-CZ2 3.79Å; I96-W124 HydrophobicContact CD1-CH2 4.37Å; I96-W124 HydrophobicContact CD1-CZ2 4.4Å; I96-W124 HydrophobicContact CD1-CZ3 4.47Å; I96-W124 HydrophobicContact CG1-CZ2 4.44Å; I96-W124 HydrophobicContact CG2-CD2 4.47Å; I96-W124 HydrophobicContact CG2-CG 4.44Å; I96-W124 PolarHBondContact O-NE1 3.23Å; F101-W124 HydrophobicContact CD2-CB 3.88Å; F101-W124 HydrophobicContact CD2-CG 4.48Å; F101-W124 WeakPolarHBondContact CD2-O 3.47Å; F101-W124 HydrophobicContact CE2-CB 4.1Å; F101-W124 HydrophobicContact CE2-CG 4.38Å; L117-W124 HydrophobicContact CD1-CH2 4.25Å; L117-W124 HydrophobicContact CD1-CZ3 4.14Å; L117-W124 HydrophobicContact CD2-CH2 4.09Å; V119-W124 WeakPolarHBondContact O-CH2 3.39Å; L120-W124 HydrophobicContact CB-CZ3 4.32Å; L120-W124 HydrophobicContact CD2-CH2 4.36Å; L120-W124 HydrophobicContact CD2-CZ3 3.77Å; N121-W124 HydrophobicContact CB-CD2 3.91Å; N121-W124 VanDerWaalsContact CB-CE2 3.48Å; N121-W124 HydrophobicContact CB-CG 4.22Å; N121-W124 HydrophobicContact CB-CH2 4.49Å; N121-W124 HydrophobicContact CB-CZ2 3.79Å; N121-W124 WeakPolarHBondContact O-CB 3.34Å; N121-W124 VanDerWaalsContact O-CG 3.3Å; N121-W124 PolarHBondContact O-N 3.49Å; N121-W124 VanDerWaalsContact O-N 3.14Å; P122-W124 VanDerWaalsContact C-N 3.25Å; P122-W124 PolarHBondContact O-N 3.43Å
125	L	93.9	Very high	95.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-103.2	-2	-171.1	-52.9	-178.2	0	0	0	113.3	L110 K123 N127 L128 L134 M149 L153	L110-L125 HydrophobicContact CD2-CD2 3.82Å; K123-L125 PolarHBondContact O-N 2.98Å; L125-N127 PolarHBondContact O-N 2.86Å; L125-N127 VanDerWaalsContact O-N 3.08Å; L125-L128 HydrophobicContact CD2-CD1 3.7Å; L125-L128 PolarHBondContact O-N 2.94Å; L125-L128 VanDerWaalsContact O-N 3.09Å; L125-L134 HydrophobicContact CD1-CD1 4.46Å; L125-L134 HydrophobicContact CD1-CD2 3.47Å; L125-L134 VanDerWaalsContact CD1-CD2 3.47Å; L125-L134 HydrophobicContact CD2-CD1 4.34Å; L125-M149 HydrophobicContact CD1-CE 3.46Å; L125-M149 VanDerWaalsContact CD1-CE 3.46Å; L125-M149 HydrophobicContact CD1-CG 4.46Å; L125-M149 HydrophobicContact CG-CE 4.24Å; L125-L153 HydrophobicContact CB-CD1 4.33Å; L125-L153 HydrophobicContact CB-CD2 4.33Å; L125-L153 HydrophobicContact CD1-CD1 4.06Å
126	K	91.1	Very high	95.3	Very high	157 Å²	157	46 Å²	46	68%	0.683	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-36.8	-171.2	-177.5	-175.2	173.9	-170	0	113.7	K123	K123-K126 PolarHBondContact O-N 2.88Å
127	N	91.6	Very high	95.3	Very high	70 Å²	70	41.2 Å²	41.2	37%	0.374	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	4.6	-174	-66.3	-38.3	0	0	0	113.5	D102 L125 A129	D102-N127 PolarHBondContact OD1-ND2 2.78Å; L125-N127 PolarHBondContact O-N 2.86Å; L125-N127 VanDerWaalsContact O-N 3.08Å; N127-A129 PolarHBondContact O-N 2.93Å
128	L	94.8	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.			trans	-95.6	51.4	-173.6	-51.4	-176.4	0	0	0	111.9	F101 L104 L107 L110 L125 I130 L131 L153	F101-L128 HydrophobicContact CB-CD1 4.46Å; F101-L128 HydrophobicContact CB-CD2 4.38Å; L104-L128 HydrophobicContact CB-CD2 4.06Å; L104-L128 WeakPolarHBondContact O-CD2 3.43Å; L107-L128 HydrophobicContact CB-CD2 4.32Å; L107-L128 HydrophobicContact CD2-CD1 4.23Å; L110-L128 HydrophobicContact CD2-CD1 4.18Å; L125-L128 HydrophobicContact CD2-CD1 3.7Å; L125-L128 PolarHBondContact O-N 2.94Å; L125-L128 VanDerWaalsContact O-N 3.09Å; L128-I130 PolarHBondContact O-N 3.42Å; L128-L131 HydrophobicContact CB-CB 4.14Å; L128-L131 HydrophobicContact CD1-CD2 4.46Å; L128-L131 VanDerWaalsContact O-CB 3.26Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.15Å; L128-L153 HydrophobicContact CB-CD2 4.21Å; L128-L153 WeakPolarHBondContact O-CD2 3.41Å
129	A	92.9	Very high	95.4	Very high	49 Å²	49	40 Å²	40	41%	0.405	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	-169.8	0	0	0	0	0	115	N127	N127-A129 PolarHBondContact O-N 2.93Å
130	I	96.1	Very high	95.6	Very high	46 Å²	46	36.7 Å²	36.7	24%	0.236	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	6.5	178.4	73.8	171.5	0	0	0	113.8	L107 E108 L128 E132	L107-I130 WeakPolarHBondContact O-CG1 3.47Å; E108-I130 HydrophobicContact CG-CD1 4.36Å; L128-I130 PolarHBondContact O-N 3.42Å; I130-E132 WeakPolarHBondContact O-CG 3.23Å; I130-E132 PolarHBondContact O-N 2.77Å
131	L	97.4	Very high	95.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.			trans	-60.8	125.4	179.5	-163.6	74.7	0	0	0	110.1	L107 L110 L128 L134 L153 R155 L156	L107-L131 HydrophobicContact CB-CD1 4.44Å; L107-L131 HydrophobicContact CD2-CD1 4.2Å; L107-L131 HydrophobicContact CG-CD1 4.18Å; L107-L131 WeakPolarHBondContact O-CA 3.4Å; L107-L131 PolarHBondContact O-N 3.29Å; L110-L131 HydrophobicContact CB-CD1 3.9Å; L128-L131 HydrophobicContact CB-CB 4.14Å; L128-L131 HydrophobicContact CD1-CD2 4.46Å; L128-L131 VanDerWaalsContact O-CB 3.26Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.15Å; L131-L134 HydrophobicContact CD2-CB 3.97Å; L131-L134 HydrophobicContact CD2-CD1 4.2Å; L131-L134 HydrophobicContact CD2-CD2 4.45Å; L131-L134 HydrophobicContact CD2-CG 4.43Å; L131-L153 HydrophobicContact CB-CD2 4.3Å; L131-L153 HydrophobicContact CD2-CD1 4.35Å; L131-R155 CarbonylContact O-C 3.52Å; L131-R155 VanDerWaalsContact O-C 3.27Å; L131-L156 HydrophobicContact CD2-CD1 4.5Å; L131-L156 VanDerWaalsContact O-CA 3.29Å; L131-L156 WeakPolarHBondContact O-CA 3.37Å; L131-L156 PolarHBondContact O-N 2.94Å; L131-L156 VanDerWaalsContact O-N 3.14Å
132	E	97.8	Very high	95.8	Very high	68 Å²	68	37 Å²	37	32%	0.318	20%	0.196	S	C	.	.			trans	-104.1	-35.9	-178.8	-60.1	-171.6	171.8	0	0	111.1	E108 I130 R155 R157 R158	E108-E132 PolarHBondContact O-N 3.09Å; I130-E132 WeakPolarHBondContact O-CG 3.23Å; I130-E132 PolarHBondContact O-N 2.77Å; E132-R155 HydrophobicContact CG-CB 4.4Å; E132-R157 PolarHBondContact O-N 3.31Å; E132-R158 PolarHBondContact O-N 3.09Å
133	N	98.5	Very high	95.9	Very high	24 Å²	24	42.4 Å²	42.4	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.6	-179.5	-46.8	-23.3	0	0	0	111.4	E108 E109 L110 R158	E108-N133 PolarHBondContact O-N 3.06Å; E109-N133 HydrophobicContact CB-CB 4.37Å; E109-N133 VanDerWaalsContact CD-ND2 3.29Å; E109-N133 HydrophobicContact CG-CB 4.29Å; E109-N133 VanDerWaalsContact CG-ND2 3.35Å; E109-N133 WeakPolarHBondContact CG-ND2 3.15Å; E109-N133 PolarHBondContact OE1-ND2 3.24Å; L110-N133 PolarHBondContact N-O 3.21Å; N133-R158 WeakPolarHBondContact CA-O 3.38Å; N133-R158 HydrophobicContact CB-CB 4.39Å; N133-R158 VanDerWaalsContact CG-NE 3.34Å; N133-R158 VanDerWaalsContact CG-NH2 3.29Å; N133-R158 VanDerWaalsContact ND2-CZ 3.31Å; N133-R158 PolarHBondContact ND2-NH2 2.94Å; N133-R158 VanDerWaalsContact OD1-CZ 3.28Å; N133-R158 PolarHBondContact OD1-NE 3.45Å; N133-R158 PolarHBondContact OD1-NH2 3.47Å
134	L	98.3	Very high	95.8	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.3	174.6	178.2	61.7	0	0	0	110.7	L110 L125 L131 L136 F150 L153 L156 R158 L159 M160	L110-L134 HydrophobicContact CB-CD1 4.25Å; L110-L134 HydrophobicContact CD2-CD1 4.1Å; L110-L134 HydrophobicContact CG-CD1 4.23Å; L125-L134 HydrophobicContact CD1-CD1 4.46Å; L125-L134 HydrophobicContact CD1-CD2 3.47Å; L125-L134 VanDerWaalsContact CD1-CD2 3.47Å; L125-L134 HydrophobicContact CD2-CD1 4.34Å; L131-L134 HydrophobicContact CD2-CB 3.97Å; L131-L134 HydrophobicContact CD2-CD1 4.2Å; L131-L134 HydrophobicContact CD2-CD2 4.45Å; L131-L134 HydrophobicContact CD2-CG 4.43Å; L134-L136 HydrophobicContact CD1-CD2 4.09Å; L134-L136 HydrophobicContact CD1-CG 4.16Å; L134-L136 HydrophobicContact CD2-CD1 4.08Å; L134-L136 HydrophobicContact CD2-CG 4.38Å; L134-L136 HydrophobicContact CG-CD1 4.29Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L134-F150 HydrophobicContact CD2-CD1 3.93Å; L134-F150 HydrophobicContact CD2-CE1 3.76Å; L134-L153 HydrophobicContact CD2-CD1 4.44Å; L134-L156 HydrophobicContact CB-CD1 3.9Å; L134-R158 PolarHBondContact N-O 3.3Å; L134-L159 HydrophobicContact CB-CD1 4.25Å; L134-L159 HydrophobicContact CD2-CD1 4.02Å; L134-L159 HydrophobicContact CG-CD1 4.26Å; L134-M160 PolarHBondContact O-N 2.99Å
135	N	98.7	Very high	95.2	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.107	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.7	174.6	-174.1	7.3	0	0	0	111.1	L110 D111 L112 S113 L137 M160	L110-N135 PolarHBondContact O-N 3.22Å; D111-N135 HydrophobicContact CB-CB 4.42Å; D111-N135 PolarHBondContact OD1-ND2 3.22Å; D111-N135 PolarHBondContact OD2-ND2 3.44Å; L112-N135 PolarHBondContact N-O 3.07Å; S113-N135 WeakPolarHBondContact CB-ND2 3.4Å; N135-L137 WeakPolarHBondContact OD1-CB 3.34Å; N135-L137 WeakPolarHBondContact OD1-CG 3.39Å; N135-L137 PolarHBondContact OD1-N 2.99Å; N135-L137 VanDerWaalsContact OD1-N 3.09Å; N135-M160 HydrophobicContact CB-CB 4.38Å; N135-M160 HydrophobicContact CB-SD 4.35Å
136	L	98	Very high	94.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.			trans	-120.3	8	179.7	-62.6	171.8	0	0	0	112.1	L112 L120 L134 N139 Y141 M149 F150 M160 F161	L112-L136 HydrophobicContact CB-CD2 4.24Å; L112-L136 HydrophobicContact CD1-CD2 4.02Å; L120-L136 HydrophobicContact CD1-CD1 4.25Å; L134-L136 HydrophobicContact CD1-CD2 4.09Å; L134-L136 HydrophobicContact CD1-CG 4.16Å; L134-L136 HydrophobicContact CD2-CD1 4.08Å; L134-L136 HydrophobicContact CD2-CG 4.38Å; L134-L136 HydrophobicContact CG-CD1 4.29Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L136-N139 PolarHBondContact O-ND2 2.79Å; L136-Y141 HydrophobicContact CB-CE1 4.45Å; L136-Y141 WeakPolarHBondContact O-CE1 3.28Å; L136-Y141 PolarHBondContact O-OH 2.84Å; L136-M149 HydrophobicContact CD1-CE 3.6Å; L136-M149 HydrophobicContact CD1-SD 4.04Å; L136-M149 HydrophobicContact CD2-CE 4.37Å; L136-F150 HydrophobicContact CD1-CE1 4.1Å; L136-F150 HydrophobicContact CD1-CZ 4.4Å; L136-M160 PolarHBondContact N-O 3.34Å; L136-F161 HydrophobicContact CB-CB 4.34Å
137	L	98.3	Very high	94.4	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.052	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	157.3	-170.8	-73.7	174.8	0	0	0	113.6	S113 D114 N135 N139 M160 F161 G162 T184 H186	S113-L137 CarbonylContact C-O 3.59Å; S113-L137 WeakPolarHBondContact CA-O 3.39Å; S113-L137 WeakPolarHBondContact CB-O 3.39Å; D114-L137 PolarHBondContact N-O 3.49Å; N135-L137 WeakPolarHBondContact OD1-CB 3.34Å; N135-L137 WeakPolarHBondContact OD1-CG 3.39Å; N135-L137 PolarHBondContact OD1-N 2.99Å; N135-L137 VanDerWaalsContact OD1-N 3.09Å; L137-N139 PolarHBondContact O-N 2.83Å; L137-N139 VanDerWaalsContact O-N 3.15Å; L137-N139 PolarHBondContact O-ND2 2.84Å; L137-M160 HydrophobicContact CD1-CB 3.77Å; L137-M160 HydrophobicContact CD1-CE 3.74Å; L137-M160 HydrophobicContact CG-CB 3.8Å; L137-F161 WeakPolarHBondContact CD2-O 3.49Å; L137-G162 CarbonylContact C-O 3.51Å; L137-G162 WeakPolarHBondContact CA-O 3.47Å; L137-T184 HydrophobicContact CD1-CG2 4.08Å; L137-T184 HydrophobicContact CD2-CG2 4.47Å; L137-H186 HydrophobicContact CD2-CB 3.83Å
138	N	97.1	Very high	94.4	Very high	60 Å²	60	35 Å²	35	32%	0.321	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	33.5	169.8	-57.4	-24.8	0	0	0	114.2	D114 G162	D114-N138 WeakPolarHBondContact OD1-CB 3.21Å; D114-N138 PolarHBondContact OD1-ND2 2.67Å; N138-G162 PolarHBondContact N-O 3.21Å
139	N	97.8	Very high	94.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.			trans	-102.8	150.7	168	-80.5	-85.1	0	0	0	110.8	L112 N115 Q116 L117 L136 L137 Y141	L112-N139 PolarHBondContact O-ND2 2.95Å; N115-N139 VanDerWaalsContact CA-OD1 3.29Å; N115-N139 WeakPolarHBondContact CA-OD1 3.43Å; N115-N139 WeakPolarHBondContact CB-OD1 3.3Å; N115-N139 PolarHBondContact N-OD1 2.98Å; N115-N139 PolarHBondContact O-OD1 2.78Å; Q116-N139 PolarHBondContact N-OD1 3.35Å; L117-N139 HydrophobicContact CB-CB 4.1Å; L117-N139 VanDerWaalsContact CB-OD1 3.29Å; L117-N139 WeakPolarHBondContact CB-OD1 3.36Å; L117-N139 WeakPolarHBondContact CG-OD1 3.26Å; L117-N139 PolarHBondContact N-OD1 3.41Å; L136-N139 PolarHBondContact O-ND2 2.79Å; L137-N139 PolarHBondContact O-N 2.83Å; L137-N139 VanDerWaalsContact O-N 3.15Å; L137-N139 PolarHBondContact O-ND2 2.84Å; N139-Y141 HydrophobicContact CB-CD1 3.5Å; N139-Y141 VanDerWaalsContact CB-CD1 3.5Å; N139-Y141 HydrophobicContact CB-CE1 3.6Å; N139-Y141 PolarHBondContact O-N 2.86Å
140	P	96.9	Very high	94.2	Very high	40 Å²	40	32.9 Å²	32.9	26%	0.26	19%	0.185	S	C	.	.			trans	-80.7	31.3	-175.7	34.1	-38.1	0	0	0	114.7	N115 L117 T118 A165	N115-P140 WeakPolarHBondContact O-CD 3.41Å; L117-P140 CarbonylContact O-C 3.53Å; L117-P140 WeakPolarHBondContact O-CD 3.43Å; T118-P140 HydrophobicContact CG2-CB 4.49Å; T118-P140 HydrophobicContact CG2-CG 3.93Å; P140-A165 VanDerWaalsContact C-CB 3.43Å; P140-A165 HydrophobicContact CB-CB 4.36Å; P140-A165 WeakPolarHBondContact O-CB 3.42Å
141	Y	96.6	Very high	93.9	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.202	C	C	.	.			trans	-80.4	144	174	59.7	-99.7	0	0	0	112.2	L117 T118 L120 L136 N139 L144 F161 G162 A165 L166	L117-Y141 PolarHBondContact O-N 2.87Å; L117-Y141 VanDerWaalsContact O-N 3.15Å; T118-Y141 WeakPolarHBondContact O-CA 3.46Å; T118-Y141 WeakPolarHBondContact O-CB 3.48Å; L120-Y141 HydrophobicContact CD1-CD1 3.83Å; L120-Y141 HydrophobicContact CD1-CD2 3.95Å; L120-Y141 HydrophobicContact CD1-CE1 3.76Å; L120-Y141 HydrophobicContact CD1-CE2 3.9Å; L120-Y141 HydrophobicContact CD1-CG 3.91Å; L120-Y141 HydrophobicContact CD2-CD1 3.67Å; L120-Y141 HydrophobicContact CD2-CE1 3.97Å; L120-Y141 HydrophobicContact CD2-CG 4.26Å; L120-Y141 HydrophobicContact CG-CD1 3.77Å; L120-Y141 HydrophobicContact CG-CD2 4.36Å; L120-Y141 HydrophobicContact CG-CE1 4.16Å; L120-Y141 HydrophobicContact CG-CG 3.87Å; L136-Y141 HydrophobicContact CB-CE1 4.45Å; L136-Y141 WeakPolarHBondContact O-CE1 3.28Å; L136-Y141 PolarHBondContact O-OH 2.84Å; N139-Y141 HydrophobicContact CB-CD1 3.5Å; N139-Y141 VanDerWaalsContact CB-CD1 3.5Å; N139-Y141 HydrophobicContact CB-CE1 3.6Å; N139-Y141 PolarHBondContact O-N 2.86Å; Y141-L144 HydrophobicContact CE2-CD2 3.89Å; Y141-F161 WeakPolarHBondContact OH-CB 3.37Å; Y141-G162 PolarHBondContact OH-N 3.46Å; Y141-A165 CarbonylContact O-C 3.34Å; Y141-A165 VanDerWaalsContact O-C 3.3Å; Y141-L166 HydrophobicContact CD2-CD1 4.39Å; Y141-L166 HydrophobicContact CE2-CD1 4.22Å; Y141-L166 PolarHBondContact O-N 2.96Å
142	S	95.7	Very high	93.4	Very high	60 Å²	60	38.9 Å²	38.9	42%	0.42	22%	0.219	S	C	.	.	S	Bend	trans	-91.5	-20.3	-175.6	55.6	0	0	0	0	115.1	A165 K167 E168	S142-A165 WeakPolarHBondContact CA-O 3.37Å; S142-K167 PolarHBondContact O-N 3.05Å; S142-E168 PolarHBondContact O-N 3.45Å
143	R	94.6	Very high	93.2	Very high	143 Å²	143	35.9 Å²	35.9	54%	0.54	21%	0.205	S	C	.	.	S	Bend	trans	-152.8	159.5	179.8	60.8	-177.3	-179.6	-171.1	1.4	109.1
144	L	91.9	Very high	92.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.233	C	C	.	.			trans	-72	152.6	168.6	-64.4	174.5	0	0	0	109.7	L120 Y141 F150 F161 L169 D173 V174	L120-L144 HydrophobicContact CD1-CD2 3.86Å; Y141-L144 HydrophobicContact CE2-CD2 3.89Å; L144-F150 HydrophobicContact CD1-CE2 4.13Å; L144-F150 HydrophobicContact CD1-CZ 4.42Å; L144-F150 HydrophobicContact CD2-CZ 4.32Å; L144-F161 HydrophobicContact CD1-CD2 3.96Å; L144-F161 HydrophobicContact CD1-CE2 3.84Å; L144-F161 HydrophobicContact CD1-CG 4.38Å; L144-F161 HydrophobicContact CD1-CZ 4.13Å; L144-F161 HydrophobicContact CD2-CB 4.3Å; L144-F161 HydrophobicContact CD2-CD2 4.06Å; L144-F161 HydrophobicContact CD2-CG 4.25Å; L144-F161 HydrophobicContact CG-CD2 4.39Å; L144-L169 HydrophobicContact CD1-CD2 3.64Å; L144-L169 HydrophobicContact CG-CD2 4.01Å; L144-D173 HydrophobicContact CB-CB 3.81Å; L144-D173 HydrophobicContact CD1-CB 3.98Å; L144-D173 HydrophobicContact CG-CB 4.48Å; L144-V174 HydrophobicContact CD1-CG1 4.14Å
145	G	81	Confident	92.6	Very high	8 Å²	8	46.5 Å²	46.5	8%	0.082	26%	0.256	C	S	.	.			trans	-61	148.2	-175.9	0	0	0	0	0	112.7	P147	G145-P147 CarbonylContact C-O 3.57Å; G145-P147 CarbonylContact O-C 3.47Å; G145-P147 VanDerWaalsContact O-O 3.07Å
146	S	82.9	Confident	92.5	Very high	92 Å²	92	45.7 Å²	45.7	64%	0.643	25%	0.252	S	S	*	.	S	Bend	trans	-121.3	125.9	174.2	-173.2	0	0	0	0	109.9
147	P	85.9	Confident	92.4	Very high	100 Å²	100	49.5 Å²	49.5	65%	0.649	27%	0.266	S	S	*	.	S	Bend	cis	-65.4	169.4	-1.2	31.1	-37.7	0	0	0	113.2	P122 G145 M149	P122-P147 WeakPolarHBondContact CG-O 3.48Å; G145-P147 CarbonylContact C-O 3.57Å; G145-P147 CarbonylContact O-C 3.47Å; G145-P147 VanDerWaalsContact O-O 3.07Å; P147-M149 PolarHBondContact O-N 3Å
148	S	90.5	Very high	92.4	Very high	12 Å²	12	54.2 Å²	54.2	8%	0.084	28%	0.283	C	S	.	.			trans	-45.2	124.3	179.6	173	0	0	0	0	111.7	F150 T172 D173 F175	S148-F150 PolarHBondContact O-N 3.38Å; S148-F150 PolarHBondContact OG-N 2.89Å; S148-T172 WeakPolarHBondContact CB-O 3.35Å; S148-D173 PolarHBondContact OG-O 2.82Å; S148-F175 WeakPolarHBondContact CB-O 3.46Å; S148-F175 PolarHBondContact OG-O 3.03Å
149	M	91.9	Very high	92.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.5	177.5	65.2	-174.9	-71.6	0	0	113.5	L120 P122 L125 L136 P147	L120-M149 HydrophobicContact CB-CE 4.31Å; L120-M149 HydrophobicContact CB-SD 3.84Å; L120-M149 HydrophobicContact CD1-CE 4.34Å; L120-M149 HydrophobicContact CD1-SD 3.64Å; L120-M149 HydrophobicContact CG-SD 4.36Å; P122-M149 HydrophobicContact CB-CB 4.1Å; P122-M149 HydrophobicContact CG-CB 4.29Å; L125-M149 HydrophobicContact CD1-CE 3.46Å; L125-M149 VanDerWaalsContact CD1-CE 3.46Å; L125-M149 HydrophobicContact CD1-CG 4.46Å; L125-M149 HydrophobicContact CG-CE 4.24Å; L136-M149 HydrophobicContact CD1-CE 3.6Å; L136-M149 HydrophobicContact CD1-SD 4.04Å; L136-M149 HydrophobicContact CD2-CE 4.37Å; P147-M149 PolarHBondContact O-N 3Å
150	F	93	Very high	92.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.2	-178.7	-43.1	-70.1	0	0	0	112.8	L134 L136 L144 S148 G152 L153 L159 D173 V174 V177	L134-F150 HydrophobicContact CD2-CD1 3.93Å; L134-F150 HydrophobicContact CD2-CE1 3.76Å; L136-F150 HydrophobicContact CD1-CE1 4.1Å; L136-F150 HydrophobicContact CD1-CZ 4.4Å; L144-F150 HydrophobicContact CD1-CE2 4.13Å; L144-F150 HydrophobicContact CD1-CZ 4.42Å; L144-F150 HydrophobicContact CD2-CZ 4.32Å; S148-F150 PolarHBondContact O-N 3.38Å; S148-F150 PolarHBondContact OG-N 2.89Å; F150-G152 PolarHBondContact O-N 3.5Å; F150-L153 HydrophobicContact CB-CD1 4.19Å; F150-L153 HydrophobicContact CD1-CD1 4.25Å; F150-L153 WeakPolarHBondContact O-CB 3.39Å; F150-L153 WeakPolarHBondContact O-CG 3.35Å; F150-L153 PolarHBondContact O-N 2.87Å; F150-L153 VanDerWaalsContact O-N 3.1Å; F150-L159 HydrophobicContact CD1-CD1 4.2Å; F150-L159 HydrophobicContact CD1-CD2 4.5Å; F150-L159 HydrophobicContact CE1-CD1 3.64Å; F150-L159 HydrophobicContact CE1-CD2 4.27Å; F150-L159 HydrophobicContact CZ-CD1 4.19Å; F150-L159 HydrophobicContact CZ-CD2 4.32Å; F150-D173 WeakPolarHBondContact CD2-O 3.3Å; F150-D173 WeakPolarHBondContact CE2-O 3.48Å; F150-V174 HydrophobicContact CE2-CG1 4.36Å; F150-V177 HydrophobicContact CB-CG2 3.28Å; F150-V177 HydrophobicContact CD2-CG2 3.88Å; F150-V177 HydrophobicContact CG-CG2 3.68Å
151	F	89.2	Confident	92.6	Very high	138 Å²	138	52.5 Å²	52.5	61%	0.605	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	121.4	178.6	-177.1	-94.3	0	0	0	110.8	F175	F151-F175 HydrophobicContact CD2-CD1 4.18Å; F151-F175 HydrophobicContact CD2-CE1 4.14Å; F151-F175 HydrophobicContact CE2-CE1 4.2Å
152	G	86.3	Confident	92.6	Very high	34 Å²	34	52.4 Å²	52.4	35%	0.351	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	-4.9	-179.4	0	0	0	0	0	115.2	F150 V154	F150-G152 PolarHBondContact O-N 3.5Å; G152-V154 PolarHBondContact O-N 2.93Å
153	L	93.4	Very high	92.5	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	25%	0.253	C	S	.	.			trans	-82	63.2	176	-55.3	-177.2	0	0	0	111.6	L125 L128 L131 L134 F150 R155 L156	L125-L153 HydrophobicContact CB-CD1 4.33Å; L125-L153 HydrophobicContact CB-CD2 4.33Å; L125-L153 HydrophobicContact CD1-CD1 4.06Å; L128-L153 HydrophobicContact CB-CD2 4.21Å; L128-L153 WeakPolarHBondContact O-CD2 3.41Å; L131-L153 HydrophobicContact CB-CD2 4.3Å; L131-L153 HydrophobicContact CD2-CD1 4.35Å; L134-L153 HydrophobicContact CD2-CD1 4.44Å; F150-L153 HydrophobicContact CB-CD1 4.19Å; F150-L153 HydrophobicContact CD1-CD1 4.25Å; F150-L153 WeakPolarHBondContact O-CB 3.39Å; F150-L153 WeakPolarHBondContact O-CG 3.35Å; F150-L153 PolarHBondContact O-N 2.87Å; F150-L153 VanDerWaalsContact O-N 3.1Å; L153-R155 PolarHBondContact O-N 2.98Å; L153-R155 VanDerWaalsContact O-N 3.13Å; L153-L156 HydrophobicContact CB-CB 4.16Å; L153-L156 HydrophobicContact CD1-CD2 4.38Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.34Å; L153-L156 VanDerWaalsContact O-N 3.17Å
154	V	90.3	Very high	92.4	Very high	118 Å²	118	47 Å²	47	72%	0.715	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-13.1	-171.5	-62.4	0	0	0	0	114.8	G152	G152-V154 PolarHBondContact O-N 2.93Å
155	R	95	Very high	92.6	Very high	131 Å²	131	48.2 Å²	48.2	49%	0.494	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	2.6	177.9	-68.9	-160.1	174	177.5	-2.1	114	L131 E132 L153 R157	L131-R155 CarbonylContact O-C 3.52Å; L131-R155 VanDerWaalsContact O-C 3.27Å; E132-R155 HydrophobicContact CG-CB 4.4Å; L153-R155 PolarHBondContact O-N 2.98Å; L153-R155 VanDerWaalsContact O-N 3.13Å; R155-R157 WeakPolarHBondContact O-CG 3.43Å; R155-R157 PolarHBondContact O-N 3.37Å
156	L	96.4	Very high	93.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.259	C	S	.	.			trans	-61.6	124.7	-176.5	-164.1	69.5	0	0	0	109.9	L131 L134 L153 L159 V177 L180	L131-L156 HydrophobicContact CD2-CD1 4.5Å; L131-L156 VanDerWaalsContact O-CA 3.29Å; L131-L156 WeakPolarHBondContact O-CA 3.37Å; L131-L156 PolarHBondContact O-N 2.94Å; L131-L156 VanDerWaalsContact O-N 3.14Å; L134-L156 HydrophobicContact CB-CD1 3.9Å; L153-L156 HydrophobicContact CB-CB 4.16Å; L153-L156 HydrophobicContact CD1-CD2 4.38Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.34Å; L153-L156 VanDerWaalsContact O-N 3.17Å; L156-L159 HydrophobicContact CD2-CB 4.09Å; L156-L159 HydrophobicContact CD2-CD1 4.29Å; L156-L159 HydrophobicContact CD2-CD2 4.28Å; L156-L159 HydrophobicContact CD2-CG 4.43Å; L156-V177 HydrophobicContact CD2-CG1 4.3Å; L156-L180 HydrophobicContact CB-CD2 4.37Å; L156-L180 HydrophobicContact CD2-CD2 4.32Å; L156-L180 HydrophobicContact CG-CD2 4.08Å; L156-L180 WeakPolarHBondContact O-CD2 3.46Å
157	R	96.8	Very high	94	Very high	79 Å²	79	49.4 Å²	49.4	30%	0.298	25%	0.254	S	S	.	.			trans	-115.8	-32.1	177.9	-62.9	-52.8	179.6	-161.9	1.1	112.2	E132 R155 E179 L180 E181 D182	E132-R157 PolarHBondContact O-N 3.31Å; R155-R157 WeakPolarHBondContact O-CG 3.43Å; R155-R157 PolarHBondContact O-N 3.37Å; R157-E179 PolarHBondContact NH1-O 3.18Å; R157-E179 IonicContact NH1-OE2 3.3Å; R157-L180 CarbonylContact O-C 3.58Å; R157-L180 WeakPolarHBondContact O-CA 3.17Å; R157-E181 HydrophobicContact CB-CB 4.42Å; R157-E181 HydrophobicContact CB-CG 4.14Å; R157-E181 PolarHBondContact O-N 2.91Å; R157-D182 PolarHBondContact O-N 2.72Å; R157-D182 VanDerWaalsContact O-N 3.13Å
158	R	98.4	Very high	94.5	Very high	109 Å²	109	46.8 Å²	46.8	41%	0.411	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	-179.9	-64.8	-175.5	-78.9	-173.4	-13.4	110.4	E109 E132 N133 L134 D182	E109-R158 IonicContact OE1-NH2 3.44Å; E132-R158 PolarHBondContact O-N 3.09Å; N133-R158 WeakPolarHBondContact CA-O 3.38Å; N133-R158 HydrophobicContact CB-CB 4.39Å; N133-R158 VanDerWaalsContact CG-NE 3.34Å; N133-R158 VanDerWaalsContact CG-NH2 3.29Å; N133-R158 VanDerWaalsContact ND2-CZ 3.31Å; N133-R158 PolarHBondContact ND2-NH2 2.94Å; N133-R158 VanDerWaalsContact OD1-CZ 3.28Å; N133-R158 PolarHBondContact OD1-NE 3.45Å; N133-R158 PolarHBondContact OD1-NH2 3.47Å; L134-R158 PolarHBondContact N-O 3.3Å; R158-D182 WeakPolarHBondContact CA-O 3.3Å; R158-D182 HydrophobicContact CB-CB 4.45Å; R158-D182 HydrophobicContact CG-CB 3.87Å
159	L	97.9	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.1	179.6	177	59.6	0	0	0	110	L134 F150 L156 F161 V177 L180 D182 L183 T184	L134-L159 HydrophobicContact CB-CD1 4.25Å; L134-L159 HydrophobicContact CD2-CD1 4.02Å; L134-L159 HydrophobicContact CG-CD1 4.26Å; F150-L159 HydrophobicContact CD1-CD1 4.2Å; F150-L159 HydrophobicContact CD1-CD2 4.5Å; F150-L159 HydrophobicContact CE1-CD1 3.64Å; F150-L159 HydrophobicContact CE1-CD2 4.27Å; F150-L159 HydrophobicContact CZ-CD1 4.19Å; F150-L159 HydrophobicContact CZ-CD2 4.32Å; L156-L159 HydrophobicContact CD2-CB 4.09Å; L156-L159 HydrophobicContact CD2-CD1 4.29Å; L156-L159 HydrophobicContact CD2-CD2 4.28Å; L156-L159 HydrophobicContact CD2-CG 4.43Å; L159-F161 HydrophobicContact CD1-CD1 4.37Å; L159-F161 HydrophobicContact CD2-CD1 4.01Å; L159-F161 HydrophobicContact CD2-CE1 4.17Å; L159-F161 HydrophobicContact CG-CD1 3.92Å; L159-F161 HydrophobicContact CG-CE1 4.47Å; L159-V177 HydrophobicContact CD2-CG1 4.31Å; L159-V177 HydrophobicContact CD2-CG2 4.42Å; L159-L180 HydrophobicContact CB-CD1 3.72Å; L159-L180 HydrophobicContact CB-CD2 4.33Å; L159-L180 HydrophobicContact CD2-CD1 4.29Å; L159-D182 PolarHBondContact N-O 2.87Å; L159-L183 HydrophobicContact CB-CD1 4.42Å; L159-L183 HydrophobicContact CD2-CD1 4.42Å; L159-L183 HydrophobicContact CG-CD1 4.42Å; L159-L183 WeakPolarHBondContact O-CA 3.47Å; L159-T184 PolarHBondContact O-N 3.2Å
160	M	98.5	Very high	94.8	Very high	64 Å²	64	51 Å²	51	32%	0.315	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.3	177.7	-47.9	175.2	80.4	0	0	108.6	L134 N135 L136 L137 T184	L134-M160 PolarHBondContact O-N 2.99Å; N135-M160 HydrophobicContact CB-CB 4.38Å; N135-M160 HydrophobicContact CB-SD 4.35Å; L136-M160 PolarHBondContact N-O 3.34Å; L137-M160 HydrophobicContact CD1-CB 3.77Å; L137-M160 HydrophobicContact CD1-CE 3.74Å; L137-M160 HydrophobicContact CG-CB 3.8Å; M160-T184 WeakPolarHBondContact CA-O 3.49Å; M160-T184 HydrophobicContact CE-CG2 4.18Å
161	F	97.6	Very high	94.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.9	179	72.2	-99.3	0	0	0	112.3	L136 L137 Y141 L144 L159 L166 L169 V174 L183 T184 V185 H186 L198	L136-F161 HydrophobicContact CB-CB 4.34Å; L137-F161 WeakPolarHBondContact CD2-O 3.49Å; Y141-F161 WeakPolarHBondContact OH-CB 3.37Å; L144-F161 HydrophobicContact CD1-CD2 3.96Å; L144-F161 HydrophobicContact CD1-CE2 3.84Å; L144-F161 HydrophobicContact CD1-CG 4.38Å; L144-F161 HydrophobicContact CD1-CZ 4.13Å; L144-F161 HydrophobicContact CD2-CB 4.3Å; L144-F161 HydrophobicContact CD2-CD2 4.06Å; L144-F161 HydrophobicContact CD2-CG 4.25Å; L144-F161 HydrophobicContact CG-CD2 4.39Å; L159-F161 HydrophobicContact CD1-CD1 4.37Å; L159-F161 HydrophobicContact CD2-CD1 4.01Å; L159-F161 HydrophobicContact CD2-CE1 4.17Å; L159-F161 HydrophobicContact CG-CD1 3.92Å; L159-F161 HydrophobicContact CG-CE1 4.47Å; F161-L166 HydrophobicContact CD2-CD2 4.33Å; F161-L166 HydrophobicContact CE2-CD2 4.37Å; F161-L169 HydrophobicContact CE2-CD1 4.04Å; F161-L169 HydrophobicContact CE2-CD2 3.73Å; F161-L169 HydrophobicContact CZ-CD2 4.41Å; F161-V174 HydrophobicContact CE1-CG1 4.41Å; F161-V174 HydrophobicContact CZ-CG1 4.41Å; F161-L183 HydrophobicContact CD1-CD1 4.44Å; F161-L183 HydrophobicContact CE1-CD1 3.88Å; F161-T184 PolarHBondContact N-O 3.22Å; F161-V185 HydrophobicContact CD2-CG1 4.32Å; F161-V185 HydrophobicContact CE1-CG2 3.83Å; F161-V185 HydrophobicContact CE2-CB 4.42Å; F161-V185 HydrophobicContact CE2-CG1 3.65Å; F161-V185 HydrophobicContact CE2-CG2 4.08Å; F161-V185 HydrophobicContact CZ-CB 4.38Å; F161-V185 HydrophobicContact CZ-CG1 3.97Å; F161-V185 HydrophobicContact CZ-CG2 3.58Å; F161-V185 CarbonylContact O-C 3.56Å; F161-V185 VanDerWaalsContact O-CA 3.29Å; F161-V185 WeakPolarHBondContact O-CA 3.42Å; F161-H186 PolarHBondContact O-N 2.76Å; F161-L198 HydrophobicContact CZ-CD2 4.17Å
162	G	97.1	Very high	94.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	121.5	-174.5	177.5	0	0	0	0	0	111.2	L137 N138 Y141 H186	L137-G162 CarbonylContact C-O 3.51Å; L137-G162 WeakPolarHBondContact CA-O 3.47Å; N138-G162 PolarHBondContact N-O 3.21Å; Y141-G162 PolarHBondContact OH-N 3.46Å; G162-H186 CarbonylContact C-O 3.43Å; G162-H186 WeakPolarHBondContact CA-O 3.35Å
163	G	94.6	Very high	95.1	Very high	5 Å²	5	53 Å²	53	5%	0.052	25%	0.251	C	S	.	.			trans	161.9	-174.9	-173.8	0	0	0	0	0	111.7	A165 L166 H186	G163-A165 PolarHBondContact O-N 3.19Å; G163-L166 PolarHBondContact O-N 3.41Å; G163-H186 PolarHBondContact N-O 2.83Å
164	P	92.9	Very high	95	Very high	83 Å²	83	53 Å²	53	54%	0.539	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.9	-174	26	-34.4	0	0	0	113.4	N189	P164-N189 PolarHBondContact O-ND2 2.93Å
165	A	96.1	Very high	94.9	Very high	27 Å²	27	53.5 Å²	53.5	22%	0.223	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-9	-174.7	0	0	0	0	0	114.6	P140 Y141 S142 G163 K167	P140-A165 VanDerWaalsContact C-CB 3.43Å; P140-A165 HydrophobicContact CB-CB 4.36Å; P140-A165 WeakPolarHBondContact O-CB 3.42Å; Y141-A165 CarbonylContact O-C 3.34Å; Y141-A165 VanDerWaalsContact O-C 3.3Å; S142-A165 WeakPolarHBondContact CA-O 3.37Å; G163-A165 PolarHBondContact O-N 3.19Å; A165-K167 WeakPolarHBondContact O-CG 3.36Å; A165-K167 PolarHBondContact O-N 3.4Å
166	L	97.1	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.238	C	C	.	.			trans	-65.6	118.1	-175.7	-178.8	65.4	0	0	0	110.6	Y141 F161 G163 L169 A187 N189	Y141-L166 HydrophobicContact CD2-CD1 4.39Å; Y141-L166 HydrophobicContact CE2-CD1 4.22Å; Y141-L166 PolarHBondContact O-N 2.96Å; F161-L166 HydrophobicContact CD2-CD2 4.33Å; F161-L166 HydrophobicContact CE2-CD2 4.37Å; G163-L166 PolarHBondContact O-N 3.41Å; L166-L169 HydrophobicContact CD1-CD2 4.06Å; L166-L169 HydrophobicContact CD1-CG 4.45Å; L166-L169 HydrophobicContact CD2-CD1 4.24Å; L166-L169 HydrophobicContact CD2-CD2 4.1Å; L166-L169 HydrophobicContact CD2-CG 4.2Å; L166-A187 HydrophobicContact CD2-CB 3.88Å; L166-N189 CarbonylContact O-C 3.52Å
167	K	95.6	Very high	94.2	Very high	125 Å²	125	49.1 Å²	49.1	54%	0.543	24%	0.239	S	C	.	.			trans	-118.8	-24.3	-174.2	-76.5	177.6	-178	-175.9	0	114.1	S142 A165 A191 S192	S142-K167 PolarHBondContact O-N 3.05Å; A165-K167 WeakPolarHBondContact O-CG 3.36Å; A165-K167 PolarHBondContact O-N 3.4Å; K167-A191 PolarHBondContact O-N 3.47Å; K167-S192 PolarHBondContact O-N 3.43Å
168	E	95.7	Very high	93.8	Very high	45 Å²	45	49.4 Å²	49.4	21%	0.21	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.6	-174.1	-176.7	172.3	-145.9	0	0	110.5	S142 R170 S192	S142-E168 PolarHBondContact O-N 3.45Å; E168-R170 HydrophobicContact CG-CG 4.02Å; E168-R170 IonicContact OE1-CZ 2.82Å; E168-R170 IonicContact OE1-NE 2.86Å; E168-R170 PolarHBondContact OE1-NE 2.9Å; E168-R170 IonicContact OE1-NH2 3.76Å; E168-R170 PolarHBondContact OE1-NH2 2.92Å; E168-R170 IonicContact OE2-CZ 3.97Å; E168-R170 IonicContact OE2-NE 2.87Å; E168-R170 PolarHBondContact OE2-NE 3.28Å; E168-R170 IonicContact OE2-NH2 3.38Å; E168-R170 PolarHBondContact OE2-NH2 2.76Å; E168-S192 WeakPolarHBondContact CA-O 3.37Å
169	L	95.7	Very high	93.3	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	116.6	169.8	-72.9	176.1	0	0	0	109.1	L144 F161 L166 V185 L190 S192 Y193 D194	L144-L169 HydrophobicContact CD1-CD2 3.64Å; L144-L169 HydrophobicContact CG-CD2 4.01Å; F161-L169 HydrophobicContact CE2-CD1 4.04Å; F161-L169 HydrophobicContact CE2-CD2 3.73Å; F161-L169 HydrophobicContact CZ-CD2 4.41Å; L166-L169 HydrophobicContact CD1-CD2 4.06Å; L166-L169 HydrophobicContact CD1-CG 4.45Å; L166-L169 HydrophobicContact CD2-CD1 4.24Å; L166-L169 HydrophobicContact CD2-CD2 4.1Å; L166-L169 HydrophobicContact CD2-CG 4.2Å; L169-V185 HydrophobicContact CD1-CG1 4.32Å; L169-L190 HydrophobicContact CB-CD1 4.23Å; L169-L190 HydrophobicContact CD1-CD1 4.15Å; L169-L190 HydrophobicContact CD1-CD2 4.12Å; L169-L190 HydrophobicContact CG-CD1 3.91Å; L169-S192 PolarHBondContact N-O 2.98Å; L169-S192 VanDerWaalsContact N-O 3.13Å; L169-Y193 HydrophobicContact CB-CD2 3.99Å; L169-Y193 HydrophobicContact CB-CE2 4.46Å; L169-Y193 HydrophobicContact CD1-CD2 4.47Å; L169-Y193 WeakPolarHBondContact O-CA 3.18Å; L169-D194 PolarHBondContact O-N 3.03Å
170	R	93.8	Very high	93.2	Very high	103 Å²	103	49.4 Å²	49.4	39%	0.389	25%	0.254	S	S	.	.			trans	-105.5	157.2	178.6	-62.2	-174.3	-176.3	168.8	9.2	111.1	E168 T172 D173 D194 T197	E168-R170 HydrophobicContact CG-CG 4.02Å; E168-R170 IonicContact OE1-CZ 2.82Å; E168-R170 IonicContact OE1-NE 2.86Å; E168-R170 PolarHBondContact OE1-NE 2.9Å; E168-R170 IonicContact OE1-NH2 3.76Å; E168-R170 PolarHBondContact OE1-NH2 2.92Å; E168-R170 IonicContact OE2-CZ 3.97Å; E168-R170 IonicContact OE2-NE 2.87Å; E168-R170 PolarHBondContact OE2-NE 3.28Å; E168-R170 IonicContact OE2-NH2 3.38Å; E168-R170 PolarHBondContact OE2-NH2 2.76Å; R170-T172 PolarHBondContact O-N 2.92Å; R170-T172 VanDerWaalsContact O-N 3.12Å; R170-D173 PolarHBondContact N-OD2 2.83Å; R170-D173 WeakPolarHBondContact O-CB 3.43Å; R170-D173 PolarHBondContact O-N 3.33Å; R170-D194 VanDerWaalsContact CA-OD2 3.26Å; R170-D194 WeakPolarHBondContact CA-OD2 3.47Å; R170-D194 WeakPolarHBondContact CB-OD2 3.32Å; R170-T197 VanDerWaalsContact C-OG1 3.31Å; R170-T197 WeakPolarHBondContact O-CG2 3.34Å
171	R	91.1	Very high	93.2	Very high	123 Å²	123	52.1 Å²	52.1	46%	0.464	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.4	-179.7	-166.1	172	-175.3	160.8	4.5	113.1	D173 D194 T197 D200	R171-D173 VanDerWaalsContact C-N 3.25Å; R171-D173 PolarHBondContact O-N 3.19Å; R171-D194 HydrophobicContact CB-CB 4.26Å; R171-D194 PolarHBondContact N-OD2 2.81Å; R171-T197 VanDerWaalsContact CA-OG1 3.3Å; R171-T197 WeakPolarHBondContact CA-OG1 3.47Å; R171-T197 PolarHBondContact N-OG1 2.95Å; R171-T197 VanDerWaalsContact N-OG1 3.13Å; R171-D200 WeakPolarHBondContact CG-OD2 2.96Å; R171-D200 IonicContact CZ-OD1 3.62Å; R171-D200 IonicContact CZ-OD2 2.83Å; R171-D200 IonicContact NE-OD1 3.1Å; R171-D200 IonicContact NE-OD2 2.88Å; R171-D200 PolarHBondContact NE-OD2 3.15Å; R171-D200 IonicContact NH2-OD1 2.79Å; R171-D200 PolarHBondContact NH2-OD1 2.84Å; R171-D200 IonicContact NH2-OD2 3.77Å; R171-D200 PolarHBondContact NH2-OD2 3.08Å
172	T	90.7	Very high	93.2	Very high	84 Å²	84	53.2 Å²	53.2	52%	0.515	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.5	177.5	51.9	0	0	0	0	114.3	S148 R170 F175	S148-T172 WeakPolarHBondContact CB-O 3.35Å; R170-T172 PolarHBondContact O-N 2.92Å; R170-T172 VanDerWaalsContact O-N 3.12Å; T172-F175 WeakPolarHBondContact O-CB 3.27Å
173	D	91.8	Very high	93.2	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.037	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-32.1	-168.4	-67.7	-7.3	0	0	0	113	L144 S148 F150 R170 R171	L144-D173 HydrophobicContact CB-CB 3.81Å; L144-D173 HydrophobicContact CD1-CB 3.98Å; L144-D173 HydrophobicContact CG-CB 4.48Å; S148-D173 PolarHBondContact OG-O 2.82Å; F150-D173 WeakPolarHBondContact CD2-O 3.3Å; F150-D173 WeakPolarHBondContact CE2-O 3.48Å; R170-D173 PolarHBondContact N-OD2 2.83Å; R170-D173 WeakPolarHBondContact O-CB 3.43Å; R170-D173 PolarHBondContact O-N 3.33Å; R171-D173 VanDerWaalsContact C-N 3.25Å; R171-D173 PolarHBondContact O-N 3.19Å
174	V	91.3	Very high	93.4	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.024	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	12.4	179.4	-61.7	0	0	0	0	112.4	L144 F150 F161 G176 V177 T197 I201	L144-V174 HydrophobicContact CD1-CG1 4.14Å; F150-V174 HydrophobicContact CE2-CG1 4.36Å; F161-V174 HydrophobicContact CE1-CG1 4.41Å; F161-V174 HydrophobicContact CZ-CG1 4.41Å; V174-G176 PolarHBondContact O-N 3.1Å; V174-V177 WeakPolarHBondContact O-CB 3.3Å; V174-V177 WeakPolarHBondContact O-CG2 3.47Å; V174-V177 PolarHBondContact O-N 2.63Å; V174-V177 VanDerWaalsContact O-N 3.16Å; V174-T197 HydrophobicContact CG2-CG2 3.76Å; V174-T197 WeakPolarHBondContact CG2-O 3.36Å; V174-I201 HydrophobicContact CB-CD1 4.15Å; V174-I201 HydrophobicContact CB-CG1 4.42Å; V174-I201 HydrophobicContact CG1-CD1 4.33Å; V174-I201 HydrophobicContact CG2-CD1 4.16Å; V174-I201 HydrophobicContact CG2-CG1 4.2Å
175	F	89.3	Confident	93.7	Very high	130 Å²	130	49.6 Å²	49.6	57%	0.57	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	132.3	-179.6	-177	-95.6	0	0	0	111.2	S148 F151 T172	S148-F175 WeakPolarHBondContact CB-O 3.46Å; S148-F175 PolarHBondContact OG-O 3.03Å; F151-F175 HydrophobicContact CD2-CD1 4.18Å; F151-F175 HydrophobicContact CD2-CE1 4.14Å; F151-F175 HydrophobicContact CE2-CE1 4.2Å; T172-F175 WeakPolarHBondContact O-CB 3.27Å
176	G	85.9	Confident	93.7	Very high	36 Å²	36	49.1 Å²	49.1	37%	0.371	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-3.4	-178.1	0	0	0	0	0	114.9	V174	V174-G176 PolarHBondContact O-N 3.1Å
177	V	91	Very high	93.7	Very high	6 Å²	6	49.1 Å²	49.1	4%	0.036	24%	0.24	C	C	.	.			trans	-92.8	123.5	171.7	-171.4	0	0	0	0	109.4	F150 L156 L159 V174 L180 I201	F150-V177 HydrophobicContact CB-CG2 3.28Å; F150-V177 HydrophobicContact CD2-CG2 3.88Å; F150-V177 HydrophobicContact CG-CG2 3.68Å; L156-V177 HydrophobicContact CD2-CG1 4.3Å; L159-V177 HydrophobicContact CD2-CG1 4.31Å; L159-V177 HydrophobicContact CD2-CG2 4.42Å; V174-V177 WeakPolarHBondContact O-CB 3.3Å; V174-V177 WeakPolarHBondContact O-CG2 3.47Å; V174-V177 PolarHBondContact O-N 2.63Å; V174-V177 VanDerWaalsContact O-N 3.16Å; V177-L180 HydrophobicContact CG1-CD1 3.84Å; V177-L180 HydrophobicContact CG1-CD2 3.84Å; V177-L180 HydrophobicContact CG1-CG 3.83Å; V177-I201 HydrophobicContact CG1-CG2 3.99Å
178	T	87.9	Confident	93.7	Very high	85 Å²	85	45.2 Å²	45.2	52%	0.521	23%	0.225	S	C	.	.			trans	-144.3	150.3	177	55.6	0	0	0	0	109.4
179	E	88	Confident	93.7	Very high	104 Å²	104	47.5 Å²	47.5	49%	0.486	24%	0.239	S	C	.	.			trans	61.4	59.2	173.3	-56.6	-178.1	174.3	0	0	114.6	R157 I201 P203	R157-E179 PolarHBondContact NH1-O 3.18Å; R157-E179 IonicContact NH1-OE2 3.3Å; E179-I201 PolarHBondContact N-O 3.22Å; E179-I201 VanDerWaalsContact N-O 3.16Å; E179-P203 WeakPolarHBondContact CA-O 3.11Å; E179-P203 HydrophobicContact CB-CG 4.41Å; E179-P203 HydrophobicContact CG-CG 3.9Å
180	L	96	Very high	93.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	139.8	173.1	-63.2	-178.7	0	0	0	111.9	L156 R157 L159 V177 L183 I201 P203 L204 G205	L156-L180 HydrophobicContact CB-CD2 4.37Å; L156-L180 HydrophobicContact CD2-CD2 4.32Å; L156-L180 HydrophobicContact CG-CD2 4.08Å; L156-L180 WeakPolarHBondContact O-CD2 3.46Å; R157-L180 CarbonylContact O-C 3.58Å; R157-L180 WeakPolarHBondContact O-CA 3.17Å; L159-L180 HydrophobicContact CB-CD1 3.72Å; L159-L180 HydrophobicContact CB-CD2 4.33Å; L159-L180 HydrophobicContact CD2-CD1 4.29Å; V177-L180 HydrophobicContact CG1-CD1 3.84Å; V177-L180 HydrophobicContact CG1-CD2 3.84Å; V177-L180 HydrophobicContact CG1-CG 3.83Å; L180-L183 HydrophobicContact CD1-CB 4.08Å; L180-L183 HydrophobicContact CD1-CD1 4.05Å; L180-I201 HydrophobicContact CB-CG2 4.35Å; L180-I201 HydrophobicContact CD1-CG2 3.65Å; L180-I201 HydrophobicContact CG-CG2 3.75Å; L180-P203 PolarHBondContact N-O 2.52Å; L180-L204 HydrophobicContact CB-CD2 4.05Å; L180-L204 CarbonylContact O-C 3.51Å; L180-L204 WeakPolarHBondContact O-CA 3.07Å; L180-G205 PolarHBondContact O-N 2.85Å
181	E	97.2	Very high	93.8	Very high	122 Å²	122	46.2 Å²	46.2	57%	0.57	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	-37.3	167.4	-65.4	179.2	-175.4	0	0	111.3	R157 G205 R206	R157-E181 HydrophobicContact CB-CB 4.42Å; R157-E181 HydrophobicContact CB-CG 4.14Å; R157-E181 PolarHBondContact O-N 2.91Å; E181-G205 CarbonylContact O-C 3.59Å; E181-G205 VanDerWaalsContact O-CA 3.26Å; E181-G205 WeakPolarHBondContact O-CA 3.23Å; E181-R206 PolarHBondContact O-N 3.07Å
182	D	98.1	Very high	94.1	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.4	178.7	-156.8	-40.9	0	0	0	111.5	R157 R158 L159 R206	R157-D182 PolarHBondContact O-N 2.72Å; R157-D182 VanDerWaalsContact O-N 3.13Å; R158-D182 WeakPolarHBondContact CA-O 3.3Å; R158-D182 HydrophobicContact CB-CB 4.45Å; R158-D182 HydrophobicContact CG-CB 3.87Å; L159-D182 PolarHBondContact N-O 2.87Å; D182-R206 WeakPolarHBondContact CA-O 3.35Å; D182-R206 IonicContact OD2-CZ 3.09Å; D182-R206 VanDerWaalsContact OD2-CZ 3.27Å; D182-R206 IonicContact OD2-NE 2.69Å; D182-R206 PolarHBondContact OD2-NE 3.45Å; D182-R206 VanDerWaalsContact OD2-NE 3.09Å; D182-R206 IonicContact OD2-NH2 2.69Å; D182-R206 PolarHBondContact OD2-NH2 3.13Å
183	L	98.1	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.6	173.6	174	62.9	0	0	0	109.6	L159 F161 L180 V185 L198 I201 L204 R206 V207 T208	L159-L183 HydrophobicContact CB-CD1 4.42Å; L159-L183 HydrophobicContact CD2-CD1 4.42Å; L159-L183 HydrophobicContact CG-CD1 4.42Å; L159-L183 WeakPolarHBondContact O-CA 3.47Å; F161-L183 HydrophobicContact CD1-CD1 4.44Å; F161-L183 HydrophobicContact CE1-CD1 3.88Å; L180-L183 HydrophobicContact CD1-CB 4.08Å; L180-L183 HydrophobicContact CD1-CD1 4.05Å; L183-V185 HydrophobicContact CD1-CG2 3.88Å; L183-V185 HydrophobicContact CD2-CG2 4.35Å; L183-V185 HydrophobicContact CG-CG2 3.96Å; L183-L198 HydrophobicContact CD2-CD2 4.31Å; L183-I201 HydrophobicContact CD2-CD1 4.01Å; L183-L204 HydrophobicContact CB-CD2 4.02Å; L183-L204 HydrophobicContact CD2-CD1 4.37Å; L183-L204 HydrophobicContact CD2-CD2 3.96Å; L183-R206 PolarHBondContact N-O 3.21Å; L183-V207 HydrophobicContact CB-CG2 4.44Å; L183-V207 CarbonylContact O-C 3.47Å; L183-V207 VanDerWaalsContact O-CA 3.32Å; L183-V207 WeakPolarHBondContact O-CA 3.22Å; L183-T208 PolarHBondContact O-N 2.91Å
184	T	98.5	Very high	94.5	Very high	9 Å²	9	42.8 Å²	42.8	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.5	172.9	-61	0	0	0	0	110.7	L137 L159 M160 F161 T208	L137-T184 HydrophobicContact CD1-CG2 4.08Å; L137-T184 HydrophobicContact CD2-CG2 4.47Å; L159-T184 PolarHBondContact O-N 3.2Å; M160-T184 WeakPolarHBondContact CA-O 3.49Å; M160-T184 HydrophobicContact CE-CG2 4.18Å; F161-T184 PolarHBondContact N-O 3.22Å; T184-T208 CarbonylContact C-O 3.55Å; T184-T208 VanDerWaalsContact CA-O 3.32Å; T184-T208 WeakPolarHBondContact CA-O 3.2Å; T184-T208 HydrophobicContact CG2-CG2 4.28Å
185	V	98.1	Very high	94.7	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	114.5	-179.6	-174.8	0	0	0	0	111.2	F161 L169 L183 A187 L198 T208 L209 R210	F161-V185 HydrophobicContact CD2-CG1 4.32Å; F161-V185 HydrophobicContact CE1-CG2 3.83Å; F161-V185 HydrophobicContact CE2-CB 4.42Å; F161-V185 HydrophobicContact CE2-CG1 3.65Å; F161-V185 HydrophobicContact CE2-CG2 4.08Å; F161-V185 HydrophobicContact CZ-CB 4.38Å; F161-V185 HydrophobicContact CZ-CG1 3.97Å; F161-V185 HydrophobicContact CZ-CG2 3.58Å; F161-V185 CarbonylContact O-C 3.56Å; F161-V185 VanDerWaalsContact O-CA 3.29Å; F161-V185 WeakPolarHBondContact O-CA 3.42Å; L169-V185 HydrophobicContact CD1-CG1 4.32Å; L183-V185 HydrophobicContact CD1-CG2 3.88Å; L183-V185 HydrophobicContact CD2-CG2 4.35Å; L183-V185 HydrophobicContact CG-CG2 3.96Å; V185-A187 HydrophobicContact CG1-CB 4.07Å; V185-L198 HydrophobicContact CG2-CD1 4.33Å; V185-L198 HydrophobicContact CG2-CD2 4.49Å; V185-T208 PolarHBondContact N-O 2.9Å; V185-L209 HydrophobicContact CB-CD2 3.81Å; V185-L209 HydrophobicContact CG2-CD2 4.15Å; V185-L209 WeakPolarHBondContact O-CA 3.3Å; V185-R210 PolarHBondContact O-N 3.49Å
186	H	97.8	Very high	94.8	Very high	16 Å²	16	40.8 Å²	40.8	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	98.7	174.1	-70.9	-171.4	0	0	0	111	L137 F161 G162 G163 R210	L137-H186 HydrophobicContact CD2-CB 3.83Å; F161-H186 PolarHBondContact O-N 2.76Å; G162-H186 CarbonylContact C-O 3.43Å; G162-H186 WeakPolarHBondContact CA-O 3.35Å; G163-H186 PolarHBondContact N-O 2.83Å; H186-R210 HydrophobicContact CB-CB 4.49Å; H186-R210 PolarHBondContact NE2-NE 3.45Å
187	A	96.7	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.			trans	-135.2	48.9	-172.6	0	0	0	0	0	111.9	L166 V185 N189 L190 R210 L211	L166-A187 HydrophobicContact CD2-CB 3.88Å; V185-A187 HydrophobicContact CG1-CB 4.07Å; A187-N189 PolarHBondContact O-N 3Å; A187-N189 VanDerWaalsContact O-N 3.14Å; A187-L190 HydrophobicContact CB-CB 3.93Å; A187-L190 HydrophobicContact CB-CD1 4.49Å; A187-L190 HydrophobicContact CB-CD2 3.99Å; A187-L190 HydrophobicContact CB-CG 4.38Å; A187-L190 VanDerWaalsContact O-CB 3.32Å; A187-L190 WeakPolarHBondContact O-CB 3.34Å; A187-L190 PolarHBondContact O-N 3.46Å; A187-R210 CarbonylContact C-O 3.14Å; A187-R210 VanDerWaalsContact C-O 3.23Å; A187-R210 WeakPolarHBondContact CA-O 3.41Å; A187-R210 PolarHBondContact N-O 2.65Å; A187-L211 HydrophobicContact CB-CD2 4Å
188	N	95.8	Very high	95.4	Very high	44 Å²	44	38.8 Å²	38.8	24%	0.235	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.4	-179.3	-79.5	-18.6	0	0	0	113.8	R210 L211 H212 G213 P214	N188-R210 PolarHBondContact N-O 2.88Å; N188-R210 WeakPolarHBondContact OD1-CB 3.41Å; N188-R210 PolarHBondContact OD1-O 3.23Å; N188-L211 PolarHBondContact OD1-N 3.34Å; N188-H212 HydrophobicContact CB-CB 4.35Å; N188-H212 WeakPolarHBondContact OD1-CB 3.47Å; N188-H212 PolarHBondContact OD1-N 3.5Å; N188-G213 WeakPolarHBondContact O-CA 3.32Å; N188-G213 PolarHBondContact O-N 3.38Å; N188-P214 VanDerWaalsContact O-CD 3.28Å; N188-P214 WeakPolarHBondContact O-CD 3.43Å
189	N	95.1	Very high	95.6	Very high	93 Å²	93	35.5 Å²	35.5	50%	0.497	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	23.1	-178.3	-66.3	-34.8	0	0	0	112.9	P164 L166 A187 A191	P164-N189 PolarHBondContact O-ND2 2.93Å; L166-N189 CarbonylContact O-C 3.52Å; A187-N189 PolarHBondContact O-N 3Å; A187-N189 VanDerWaalsContact O-N 3.14Å; N189-A191 PolarHBondContact O-N 3.47Å
190	L	96.6	Very high	95.7	Very high	6 Å²	6	34 Å²	34	3%	0.031	20%	0.202	C	C	.	.			trans	-64.4	117.7	-179.2	-167.2	60.8	0	0	0	110.7	L169 A187 S192 Y193 L211 P214 L221 V225	L169-L190 HydrophobicContact CB-CD1 4.23Å; L169-L190 HydrophobicContact CD1-CD1 4.15Å; L169-L190 HydrophobicContact CD1-CD2 4.12Å; L169-L190 HydrophobicContact CG-CD1 3.91Å; A187-L190 HydrophobicContact CB-CB 3.93Å; A187-L190 HydrophobicContact CB-CD1 4.49Å; A187-L190 HydrophobicContact CB-CD2 3.99Å; A187-L190 HydrophobicContact CB-CG 4.38Å; A187-L190 VanDerWaalsContact O-CB 3.32Å; A187-L190 WeakPolarHBondContact O-CB 3.34Å; A187-L190 PolarHBondContact O-N 3.46Å; L190-S192 WeakPolarHBondContact CD1-O 3.33Å; L190-Y193 HydrophobicContact CD2-CD2 4.25Å; L190-L211 HydrophobicContact CD2-CD2 4.48Å; L190-P214 HydrophobicContact CB-CG 3.95Å; L190-L221 HydrophobicContact CB-CD2 4.39Å; L190-L221 HydrophobicContact CD2-CD2 3.75Å; L190-L221 HydrophobicContact CG-CD1 4.41Å; L190-L221 HydrophobicContact CG-CD2 4.03Å; L190-V225 HydrophobicContact CD2-CG2 4.35Å
191	A	95.7	Very high	95.5	Very high	72 Å²	72	33.8 Å²	33.8	60%	0.595	20%	0.201	S	C	*	.			trans	-102.6	-27.4	-178.4	0	0	0	0	0	112.5	K167 N189	K167-A191 PolarHBondContact O-N 3.47Å; N189-A191 PolarHBondContact O-N 3.47Å
192	S	95.9	Very high	95.2	Very high	48 Å²	48	34.9 Å²	34.9	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.9	-179.8	-177.6	0	0	0	0	111	K167 E168 L169 L190	K167-S192 PolarHBondContact O-N 3.43Å; E168-S192 WeakPolarHBondContact CA-O 3.37Å; L169-S192 PolarHBondContact N-O 2.98Å; L169-S192 VanDerWaalsContact N-O 3.13Å; L190-S192 WeakPolarHBondContact CD1-O 3.33Å
193	Y	97.1	Very high	94.9	Very high	25 Å²	25	36.4 Å²	36.4	10%	0.098	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	124.3	-179.5	179.9	-105.2	0	0	0	109.8	L169 L190 T197 L198 A224 V225 D228	L169-Y193 HydrophobicContact CB-CD2 3.99Å; L169-Y193 HydrophobicContact CB-CE2 4.46Å; L169-Y193 HydrophobicContact CD1-CD2 4.47Å; L169-Y193 WeakPolarHBondContact O-CA 3.18Å; L190-Y193 HydrophobicContact CD2-CD2 4.25Å; Y193-T197 HydrophobicContact CE2-CG2 4.31Å; Y193-L198 HydrophobicContact CE2-CG 4.23Å; Y193-L198 PolarHBondContact OH-N 3.3Å; Y193-A224 HydrophobicContact CD1-CB 3.96Å; Y193-A224 HydrophobicContact CE1-CB 4.14Å; Y193-V225 HydrophobicContact CD1-CG2 3.77Å; Y193-V225 HydrophobicContact CD2-CG2 3.81Å; Y193-V225 HydrophobicContact CE1-CB 4.48Å; Y193-V225 HydrophobicContact CE1-CG2 3.84Å; Y193-V225 HydrophobicContact CE2-CG2 3.89Å; Y193-V225 HydrophobicContact CG-CG2 3.76Å; Y193-D228 VanDerWaalsContact CE1-OD2 3.3Å; Y193-D228 WeakPolarHBondContact CE1-OD2 3.39Å; Y193-D228 VanDerWaalsContact CZ-OD2 3.27Å; Y193-D228 PolarHBondContact OH-OD2 3.11Å
194	D	95.4	Very high	94.7	Very high	69 Å²	69	36.8 Å²	36.8	37%	0.369	21%	0.213	S	C	.	.			trans	-81.2	117.6	170.4	-68.2	-19.2	0	0	0	109.4	L169 R170 R171 G196 T197	L169-D194 PolarHBondContact O-N 3.03Å; R170-D194 VanDerWaalsContact CA-OD2 3.26Å; R170-D194 WeakPolarHBondContact CA-OD2 3.47Å; R170-D194 WeakPolarHBondContact CB-OD2 3.32Å; R171-D194 HydrophobicContact CB-CB 4.26Å; R171-D194 PolarHBondContact N-OD2 2.81Å; D194-G196 PolarHBondContact O-N 2.98Å; D194-T197 VanDerWaalsContact O-CB 3.27Å; D194-T197 WeakPolarHBondContact O-CB 3.09Å; D194-T197 PolarHBondContact O-N 3.19Å; D194-T197 VanDerWaalsContact O-N 3.1Å; D194-T197 PolarHBondContact O-OG1 3.04Å
195	S	93.6	Very high	94.6	Very high	79 Å²	79	38.1 Å²	38.1	55%	0.552	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	138	176.3	-178	0	0	0	0	111.4
196	G	92.4	Very high	94.5	Very high	12 Å²	12	43.5 Å²	43.5	12%	0.124	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-10.3	-170.9	0	0	0	0	0	114.1	D194 L198 G199 D200 D228	D194-G196 PolarHBondContact O-N 2.98Å; G196-L198 PolarHBondContact O-N 3.14Å; G196-G199 PolarHBondContact O-N 3.21Å; G196-G199 VanDerWaalsContact O-N 3.17Å; G196-D200 PolarHBondContact O-N 3.03Å; G196-D228 VanDerWaalsContact CA-OD2 3.3Å; G196-D228 WeakPolarHBondContact CA-OD2 3.03Å; G196-D228 PolarHBondContact N-OD1 3.21Å; G196-D228 PolarHBondContact N-OD2 3.38Å
197	T	94.3	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-56.7	-177.6	-63.4	0	0	0	0	111.9	R170 R171 V174 Y193 D194 G199 D228	R170-T197 VanDerWaalsContact C-OG1 3.31Å; R170-T197 WeakPolarHBondContact O-CG2 3.34Å; R171-T197 VanDerWaalsContact CA-OG1 3.3Å; R171-T197 WeakPolarHBondContact CA-OG1 3.47Å; R171-T197 PolarHBondContact N-OG1 2.95Å; R171-T197 VanDerWaalsContact N-OG1 3.13Å; V174-T197 HydrophobicContact CG2-CG2 3.76Å; V174-T197 WeakPolarHBondContact CG2-O 3.36Å; Y193-T197 HydrophobicContact CE2-CG2 4.31Å; D194-T197 VanDerWaalsContact O-CB 3.27Å; D194-T197 WeakPolarHBondContact O-CB 3.09Å; D194-T197 PolarHBondContact O-N 3.19Å; D194-T197 VanDerWaalsContact O-N 3.1Å; D194-T197 PolarHBondContact O-OG1 3.04Å; T197-G199 VanDerWaalsContact C-N 3.32Å; T197-D228 PolarHBondContact N-OD2 2.77Å
198	L	95.2	Very high	94.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.7	177.2	-59	-175.2	0	0	0	112.8	F161 L183 V185 Y193 G196 D200 I201 V225 D228 V229	F161-L198 HydrophobicContact CZ-CD2 4.17Å; L183-L198 HydrophobicContact CD2-CD2 4.31Å; V185-L198 HydrophobicContact CG2-CD1 4.33Å; V185-L198 HydrophobicContact CG2-CD2 4.49Å; Y193-L198 HydrophobicContact CE2-CG 4.23Å; Y193-L198 PolarHBondContact OH-N 3.3Å; G196-L198 PolarHBondContact O-N 3.14Å; L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.33Å; L198-I201 HydrophobicContact CD2-CD1 3.92Å; L198-I201 WeakPolarHBondContact O-CB 2.99Å; L198-I201 PolarHBondContact O-N 3.28Å; L198-V225 HydrophobicContact CD1-CG1 3.99Å; L198-D228 HydrophobicContact CB-CB 4.18Å; L198-V229 HydrophobicContact CB-CG1 3.86Å; L198-V229 HydrophobicContact CD1-CG1 3.81Å
199	G	92.1	Very high	94.7	Very high	15 Å²	15	41 Å²	41	16%	0.155	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-69	-28.6	179.7	0	0	0	0	0	112.8	G196 T197 I201 W202 D228	G196-G199 PolarHBondContact O-N 3.21Å; G196-G199 VanDerWaalsContact O-N 3.17Å; T197-G199 VanDerWaalsContact C-N 3.32Å; G199-I201 PolarHBondContact O-N 3.27Å; G199-W202 WeakPolarHBondContact O-CB 3.36Å; G199-W202 PolarHBondContact O-N 3.04Å; G199-D228 WeakPolarHBondContact CA-O 3.49Å
200	D	90.2	Very high	94.8	Very high	72 Å²	72	39.8 Å²	39.8	39%	0.385	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-68.1	-16.1	176.2	-74.1	-14.4	0	0	0	113.3	R171 G196 L198 W202	R171-D200 WeakPolarHBondContact CG-OD2 2.96Å; R171-D200 IonicContact CZ-OD1 3.62Å; R171-D200 IonicContact CZ-OD2 2.83Å; R171-D200 IonicContact NE-OD1 3.1Å; R171-D200 IonicContact NE-OD2 2.88Å; R171-D200 PolarHBondContact NE-OD2 3.15Å; R171-D200 IonicContact NH2-OD1 2.79Å; R171-D200 PolarHBondContact NH2-OD1 2.84Å; R171-D200 IonicContact NH2-OD2 3.77Å; R171-D200 PolarHBondContact NH2-OD2 3.08Å; G196-D200 PolarHBondContact O-N 3.03Å; L198-D200 VanDerWaalsContact C-N 3.29Å; L198-D200 PolarHBondContact O-N 3.33Å; D200-W202 VanDerWaalsContact C-N 3.3Å
201	I	92.6	Very high	94.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-79.4	-16	-179.2	-54.2	173.9	0	0	0	111.8	V174 V177 E179 L180 L183 L198 G199 L204	V174-I201 HydrophobicContact CB-CD1 4.15Å; V174-I201 HydrophobicContact CB-CG1 4.42Å; V174-I201 HydrophobicContact CG1-CD1 4.33Å; V174-I201 HydrophobicContact CG2-CD1 4.16Å; V174-I201 HydrophobicContact CG2-CG1 4.2Å; V177-I201 HydrophobicContact CG1-CG2 3.99Å; E179-I201 PolarHBondContact N-O 3.22Å; E179-I201 VanDerWaalsContact N-O 3.16Å; L180-I201 HydrophobicContact CB-CG2 4.35Å; L180-I201 HydrophobicContact CD1-CG2 3.65Å; L180-I201 HydrophobicContact CG-CG2 3.75Å; L183-I201 HydrophobicContact CD2-CD1 4.01Å; L198-I201 HydrophobicContact CD2-CD1 3.92Å; L198-I201 WeakPolarHBondContact O-CB 2.99Å; L198-I201 PolarHBondContact O-N 3.28Å; G199-I201 PolarHBondContact O-N 3.27Å; I201-L204 HydrophobicContact CB-CD2 4.16Å; I201-L204 HydrophobicContact CG2-CD2 3.58Å; I201-L204 HydrophobicContact CG2-CG 4.47Å
202	W	89	Confident	94.7	Very high	146 Å²	146	39.3 Å²	39.3	55%	0.553	21%	0.21	S	C	*	.			trans	-53	139.3	-175.9	-178.9	88.4	0	0	0	112.9	G199 D200 Y231	G199-W202 WeakPolarHBondContact O-CB 3.36Å; G199-W202 PolarHBondContact O-N 3.04Å; D200-W202 VanDerWaalsContact C-N 3.3Å; W202-Y231 HydrophobicContact CB-CE2 4.43Å; W202-Y231 AromaticContact CD1-CD1 3.68Å; W202-Y231 AromaticContact CD1-CD2 3.74Å; W202-Y231 AromaticContact CD1-CE1 3.41Å; W202-Y231 VanDerWaalsContact CD1-CE1 3.41Å; W202-Y231 AromaticContact CD1-CE2 3.5Å; W202-Y231 VanDerWaalsContact CD1-CE2 3.5Å; W202-Y231 AromaticContact CD1-CG 3.84Å; W202-Y231 AromaticContact CD1-CZ 3.32Å; W202-Y231 HydrophobicContact CG-CE1 4.1Å; W202-Y231 HydrophobicContact CG-CE2 4.26Å; W202-Y231 AromaticContact CG-CZ 3.86Å; W202-Y231 AromaticContact NE1-CD1 3.62Å; W202-Y231 AromaticContact NE1-CE1 3.66Å; W202-Y231 AromaticContact NE1-CG 3.96Å
203	P	93.2	Very high	94.5	Very high	54 Å²	54	37.6 Å²	37.6	35%	0.351	20%	0.2	S	C	.	.	S	Bend	cis	-75.9	147.9	4.6	30.5	-36.1	0	0	0	115.1	E179 L180	E179-P203 WeakPolarHBondContact CA-O 3.11Å; E179-P203 HydrophobicContact CB-CG 4.41Å; E179-P203 HydrophobicContact CG-CG 3.9Å; L180-P203 PolarHBondContact N-O 2.52Å
204	L	94	Very high	94.4	Very high	9 Å²	9	36.5 Å²	36.5	5%	0.047	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128	178.1	-70.5	167.2	0	0	0	110	L180 L183 I201 V207 V229 T234	L180-L204 HydrophobicContact CB-CD2 4.05Å; L180-L204 CarbonylContact O-C 3.51Å; L180-L204 WeakPolarHBondContact O-CA 3.07Å; L183-L204 HydrophobicContact CB-CD2 4.02Å; L183-L204 HydrophobicContact CD2-CD1 4.37Å; L183-L204 HydrophobicContact CD2-CD2 3.96Å; I201-L204 HydrophobicContact CB-CD2 4.16Å; I201-L204 HydrophobicContact CG2-CD2 3.58Å; I201-L204 HydrophobicContact CG2-CG 4.47Å; L204-V207 HydrophobicContact CB-CG2 4.01Å; L204-V207 HydrophobicContact CD1-CG2 3.75Å; L204-V207 HydrophobicContact CD2-CG2 4.46Å; L204-V207 HydrophobicContact CG-CG2 4.29Å; L204-V229 HydrophobicContact CD1-CG1 4.41Å; L204-T234 HydrophobicContact CB-CG2 3.84Å; L204-T234 WeakPolarHBondContact O-CG2 3.42Å; L204-T234 PolarHBondContact O-OG1 3.45Å
205	G	95.2	Very high	94.4	Very high	36 Å²	36	33.2 Å²	33.2	37%	0.371	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-65.9	175.1	0	0	0	0	0	111.8	L180 E181 P235	L180-G205 PolarHBondContact O-N 2.85Å; E181-G205 CarbonylContact O-C 3.59Å; E181-G205 VanDerWaalsContact O-CA 3.26Å; E181-G205 WeakPolarHBondContact O-CA 3.23Å; G205-P235 WeakPolarHBondContact O-CD 3.46Å
206	R	97.3	Very high	94.3	Very high	116 Å²	116	32 Å²	32	44%	0.438	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	145.8	175.6	179.4	174.4	68.3	-171.2	2.4	110.5	E181 D182 L183 V237	E181-R206 PolarHBondContact O-N 3.07Å; D182-R206 WeakPolarHBondContact CA-O 3.35Å; D182-R206 IonicContact OD2-CZ 3.09Å; D182-R206 VanDerWaalsContact OD2-CZ 3.27Å; D182-R206 IonicContact OD2-NE 2.69Å; D182-R206 PolarHBondContact OD2-NE 3.45Å; D182-R206 VanDerWaalsContact OD2-NE 3.09Å; D182-R206 IonicContact OD2-NH2 2.69Å; D182-R206 PolarHBondContact OD2-NH2 3.13Å; L183-R206 PolarHBondContact N-O 3.21Å; R206-V237 HydrophobicContact CG-CG2 4.46Å
207	V	97.8	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.4	177.7	-177.1	0	0	0	0	110.7	L183 L204 L209 V229 T234 P235 I236 V237	L183-V207 HydrophobicContact CB-CG2 4.44Å; L183-V207 CarbonylContact O-C 3.47Å; L183-V207 VanDerWaalsContact O-CA 3.32Å; L183-V207 WeakPolarHBondContact O-CA 3.22Å; L204-V207 HydrophobicContact CB-CG2 4.01Å; L204-V207 HydrophobicContact CD1-CG2 3.75Å; L204-V207 HydrophobicContact CD2-CG2 4.46Å; L204-V207 HydrophobicContact CG-CG2 4.29Å; V207-L209 HydrophobicContact CG1-CD1 4.32Å; V207-L209 HydrophobicContact CG1-CD2 3.67Å; V207-L209 HydrophobicContact CG1-CG 3.81Å; V207-V229 HydrophobicContact CG1-CB 4.11Å; V207-V229 HydrophobicContact CG1-CG1 4.05Å; V207-V229 HydrophobicContact CG1-CG2 4.37Å; V207-V229 HydrophobicContact CG2-CB 4.25Å; V207-T234 HydrophobicContact CB-CG2 4.5Å; V207-T234 HydrophobicContact CG2-CG2 3.69Å; V207-P235 PolarHBondContact N-O 3.04Å; V207-I236 CarbonylContact O-C 3.59Å; V207-V237 PolarHBondContact O-N 3.42Å
208	T	98.4	Very high	94.3	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	173.2	-60.2	0	0	0	0	110.4	L183 T184 V185 V237 E239	L183-T208 PolarHBondContact O-N 2.91Å; T184-T208 CarbonylContact C-O 3.55Å; T184-T208 VanDerWaalsContact CA-O 3.32Å; T184-T208 WeakPolarHBondContact CA-O 3.2Å; T184-T208 HydrophobicContact CG2-CG2 4.28Å; V185-T208 PolarHBondContact N-O 2.9Å; T208-V237 CarbonylContact C-O 3.59Å; T208-V237 VanDerWaalsContact CA-O 3.28Å; T208-V237 WeakPolarHBondContact CA-O 3.29Å; T208-V237 HydrophobicContact CG2-CB 4.18Å; T208-V237 HydrophobicContact CG2-CG1 4.25Å; T208-E239 HydrophobicContact CG2-CG 3.73Å
209	L	98.1	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.6	-175.6	-53.4	173.5	0	0	0	111.7	V185 V207 L211 V225 L226 V229 V237 L238 E239	V185-L209 HydrophobicContact CB-CD2 3.81Å; V185-L209 HydrophobicContact CG2-CD2 4.15Å; V185-L209 WeakPolarHBondContact O-CA 3.3Å; V207-L209 HydrophobicContact CG1-CD1 4.32Å; V207-L209 HydrophobicContact CG1-CD2 3.67Å; V207-L209 HydrophobicContact CG1-CG 3.81Å; L209-L211 HydrophobicContact CB-CD1 4.02Å; L209-L211 HydrophobicContact CB-CG 4.14Å; L209-L211 HydrophobicContact CD1-CD1 3.92Å; L209-L211 HydrophobicContact CG-CD1 4.5Å; L209-V225 HydrophobicContact CD1-CG1 4.18Å; L209-L226 HydrophobicContact CD1-CD2 4.16Å; L209-V229 HydrophobicContact CD1-CG2 3.91Å; L209-V237 PolarHBondContact N-O 3.32Å; L209-L238 HydrophobicContact CB-CD2 3.83Å; L209-L238 HydrophobicContact CD1-CD2 4.05Å; L209-L238 HydrophobicContact CG-CD2 4.36Å; L209-L238 WeakPolarHBondContact O-CA 3.27Å; L209-E239 PolarHBondContact O-N 3.39Å
210	R	97.4	Very high	94.3	Very high	68 Å²	68	44.3 Å²	44.3	26%	0.257	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.6	162.6	-70.3	-177.4	-172.8	-163.1	9.5	109.2	V185 H186 A187 N188 E239 D240	V185-R210 PolarHBondContact O-N 3.49Å; H186-R210 HydrophobicContact CB-CB 4.49Å; H186-R210 PolarHBondContact NE2-NE 3.45Å; A187-R210 CarbonylContact C-O 3.14Å; A187-R210 VanDerWaalsContact C-O 3.23Å; A187-R210 WeakPolarHBondContact CA-O 3.41Å; A187-R210 PolarHBondContact N-O 2.65Å; N188-R210 PolarHBondContact N-O 2.88Å; N188-R210 WeakPolarHBondContact OD1-CB 3.41Å; N188-R210 PolarHBondContact OD1-O 3.23Å; R210-E239 HydrophobicContact CG-CB 3.67Å; R210-E239 IonicContact CZ-OE2 2.83Å; R210-E239 VanDerWaalsContact CZ-OE2 3.23Å; R210-E239 IonicContact NE-OE2 3.65Å; R210-E239 PolarHBondContact NE-OE2 3.38Å; R210-E239 IonicContact NH2-OE2 3.44Å; R210-E239 PolarHBondContact NH2-OE2 2.85Å; R210-D240 VanDerWaalsContact CD-OD2 3.31Å; R210-D240 WeakPolarHBondContact CD-OD2 3.45Å; R210-D240 IonicContact CZ-OD2 3.35Å; R210-D240 IonicContact NE-OD2 3.22Å; R210-D240 PolarHBondContact NE-OD2 2.81Å; R210-D240 IonicContact NH1-OD2 3.29Å; R210-D240 PolarHBondContact NH1-OD2 3.41Å
211	L	95.6	Very high	94.6	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.225	C	C	.	.			trans	-132.8	33.5	-171.6	-66.6	172.5	0	0	0	112.3	A187 N188 L190 L209 G213 P214 F215 V225	A187-L211 HydrophobicContact CB-CD2 4Å; N188-L211 PolarHBondContact OD1-N 3.34Å; L190-L211 HydrophobicContact CD2-CD2 4.48Å; L209-L211 HydrophobicContact CB-CD1 4.02Å; L209-L211 HydrophobicContact CB-CG 4.14Å; L209-L211 HydrophobicContact CD1-CD1 3.92Å; L209-L211 HydrophobicContact CG-CD1 4.5Å; L211-G213 PolarHBondContact O-N 3.26Å; L211-P214 HydrophobicContact CB-CB 4.37Å; L211-P214 HydrophobicContact CB-CG 4.39Å; L211-P214 HydrophobicContact CD2-CG 4.25Å; L211-P214 VanDerWaalsContact O-CD 3.23Å; L211-P214 WeakPolarHBondContact O-CD 3.47Å; L211-F215 HydrophobicContact CB-CD2 3.77Å; L211-F215 HydrophobicContact CB-CE2 3.89Å; L211-F215 HydrophobicContact CD1-CE2 4.2Å; L211-F215 WeakPolarHBondContact O-CD2 3.33Å; L211-F215 PolarHBondContact O-N 2.93Å; L211-F215 VanDerWaalsContact O-N 3.12Å; L211-V225 HydrophobicContact CD1-CB 4.18Å; L211-V225 HydrophobicContact CD1-CG1 3.73Å
212	H	93.5	Very high	94.8	Very high	66 Å²	66	41.5 Å²	41.5	31%	0.306	23%	0.225	S	C	.	.	H	α-helix	trans	-50.9	-54.8	-172.6	-174.8	88.2	0	0	0	113.7	N188 F215 L216 D240	N188-H212 HydrophobicContact CB-CB 4.35Å; N188-H212 WeakPolarHBondContact OD1-CB 3.47Å; N188-H212 PolarHBondContact OD1-N 3.5Å; H212-F215 PolarHBondContact O-N 3.1Å; H212-L216 WeakPolarHBondContact NE2-CD1 3.08Å; H212-L216 PolarHBondContact O-N 3.39Å; H212-D240 PolarHBondContact ND1-O 3.43Å
213	G	93	Very high	95.2	Very high	13 Å²	13	35.3 Å²	35.3	13%	0.134	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-48.3	179.6	0	0	0	0	0	113.6	N188 L211 F215 L216 T217	N188-G213 WeakPolarHBondContact O-CA 3.32Å; N188-G213 PolarHBondContact O-N 3.38Å; L211-G213 PolarHBondContact O-N 3.26Å; G213-F215 VanDerWaalsContact C-N 3.31Å; G213-F215 PolarHBondContact O-N 3.07Å; G213-L216 PolarHBondContact O-N 3.12Å; G213-L216 VanDerWaalsContact O-N 3.07Å; G213-T217 PolarHBondContact O-N 3.24Å; G213-T217 PolarHBondContact O-OG1 3.26Å
214	P	95.1	Very high	95.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-51.7	-42.9	173.7	-33.5	36	0	0	0	114.7	N188 L190 L211 L216 N218 V219 L221 A222	N188-P214 VanDerWaalsContact O-CD 3.28Å; N188-P214 WeakPolarHBondContact O-CD 3.43Å; L190-P214 HydrophobicContact CB-CG 3.95Å; L211-P214 HydrophobicContact CB-CB 4.37Å; L211-P214 HydrophobicContact CB-CG 4.39Å; L211-P214 HydrophobicContact CD2-CG 4.25Å; L211-P214 VanDerWaalsContact O-CD 3.23Å; L211-P214 WeakPolarHBondContact O-CD 3.47Å; P214-L216 PolarHBondContact O-N 3.41Å; P214-N218 CarbonylContact O-C 3.19Å; P214-N218 PolarHBondContact O-N 3.19Å; P214-V219 PolarHBondContact O-N 3.1Å; P214-L221 HydrophobicContact CB-CD2 3.9Å; P214-L221 HydrophobicContact CG-CD2 4Å; P214-A222 HydrophobicContact CB-CB 4.02Å
215	F	94	Very high	95.5	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-64.6	-25.9	178.9	-90.5	-100.3	0	0	0	113.8	L211 H212 G213 A222 L226 L238 L241 L243 S248 P251 F252	L211-F215 HydrophobicContact CB-CD2 3.77Å; L211-F215 HydrophobicContact CB-CE2 3.89Å; L211-F215 HydrophobicContact CD1-CE2 4.2Å; L211-F215 WeakPolarHBondContact O-CD2 3.33Å; L211-F215 PolarHBondContact O-N 2.93Å; L211-F215 VanDerWaalsContact O-N 3.12Å; H212-F215 PolarHBondContact O-N 3.1Å; G213-F215 VanDerWaalsContact C-N 3.31Å; G213-F215 PolarHBondContact O-N 3.07Å; F215-A222 HydrophobicContact CD2-CB 3.84Å; F215-A222 HydrophobicContact CE2-CB 3.98Å; F215-A222 HydrophobicContact CG-CB 4.3Å; F215-L226 HydrophobicContact CZ-CD1 3.94Å; F215-L238 HydrophobicContact CZ-CD1 4.43Å; F215-L241 HydrophobicContact CB-CD2 4.48Å; F215-L241 HydrophobicContact CD1-CD1 4.49Å; F215-L241 HydrophobicContact CD2-CD1 4.32Å; F215-L241 HydrophobicContact CD2-CD2 3.85Å; F215-L241 HydrophobicContact CE1-CD1 4.24Å; F215-L241 HydrophobicContact CE2-CD1 4.03Å; F215-L241 HydrophobicContact CE2-CD2 4.25Å; F215-L241 HydrophobicContact CG-CD2 4.15Å; F215-L241 HydrophobicContact CZ-CD1 3.97Å; F215-L243 HydrophobicContact CD1-CD2 3.77Å; F215-L243 HydrophobicContact CE1-CD2 4.27Å; F215-S248 WeakPolarHBondContact CD1-O 3.45Å; F215-P251 HydrophobicContact CD1-CG 4.2Å; F215-P251 HydrophobicContact CE1-CB 4.03Å; F215-P251 HydrophobicContact CE1-CG 3.98Å; F215-P251 HydrophobicContact CZ-CB 4.21Å; F215-F252 HydrophobicContact CD1-CE2 4.49Å; F215-F252 HydrophobicContact CE1-CD2 4.4Å; F215-F252 AromaticContact CE1-CE2 3.62Å; F215-F252 HydrophobicContact CE1-CE2 3.62Å; F215-F252 AromaticContact CE1-CZ 3.7Å; F215-F252 HydrophobicContact CE1-CZ 3.7Å; F215-F252 HydrophobicContact CZ-CE2 4.4Å; F215-F252 HydrophobicContact CZ-CZ 4.08Å
216	L	91.4	Very high	95.6	Very high	54 Å²	54	31.8 Å²	31.8	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-95.3	-37.3	-179.9	-63.8	176.7	0	0	0	113.3	H212 G213 P214 I244	H212-L216 WeakPolarHBondContact NE2-CD1 3.08Å; H212-L216 PolarHBondContact O-N 3.39Å; G213-L216 PolarHBondContact O-N 3.12Å; G213-L216 VanDerWaalsContact O-N 3.07Å; P214-L216 PolarHBondContact O-N 3.41Å; L216-I244 HydrophobicContact CD2-CD1 4.11Å; L216-I244 HydrophobicContact CD2-CG1 4.35Å
217	T	91.8	Very high	95.5	Very high	117 Å²	117	27.8 Å²	27.8	72%	0.718	17%	0.166	S	C	*	.	H	α-helix	trans	-109.8	-31.3	-167	60.4	0	0	0	0	114.1	G213	G213-T217 PolarHBondContact O-N 3.24Å; G213-T217 PolarHBondContact O-OG1 3.26Å
218	N	94.5	Very high	95.4	Very high	66 Å²	66	28.4 Å²	28.4	35%	0.353	17%	0.17	S	C	.	.			trans	-144.2	76.3	-177.3	-169.3	-12.8	0	0	0	110.9	P214 A220 L221 A222	P214-N218 CarbonylContact O-C 3.19Å; P214-N218 PolarHBondContact O-N 3.19Å; N218-A220 PolarHBondContact O-N 3.08Å; N218-L221 HydrophobicContact CB-CB 4.04Å; N218-L221 WeakPolarHBondContact O-CB 3.1Å; N218-L221 PolarHBondContact O-N 3.31Å; N218-L221 PolarHBondContact OD1-N 3.24Å; N218-A222 PolarHBondContact O-N 3.07Å; N218-A222 VanDerWaalsContact O-N 3.14Å
219	V	93.7	Very high	95.3	Very high	29 Å²	29	28 Å²	28	18%	0.176	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-33.2	-176.6	-177.7	0	0	0	0	112.4	P214 L221 A222 A223 H247 L250 P251	P214-V219 PolarHBondContact O-N 3.1Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-L221 PolarHBondContact O-N 2.89Å; V219-A222 PolarHBondContact O-N 3.32Å; V219-A223 VanDerWaalsContact O-CB 3.32Å; V219-A223 WeakPolarHBondContact O-CB 3.36Å; V219-A223 PolarHBondContact O-N 3.09Å; V219-H247 WeakPolarHBondContact CG1-O 3.08Å; V219-L250 HydrophobicContact CG1-CB 3.82Å; V219-L250 HydrophobicContact CG1-CD1 4.4Å; V219-P251 HydrophobicContact CG1-CG 3.54Å
220	A	95.4	Very high	95.2	Very high	73 Å²	73	28 Å²	28	60%	0.603	17%	0.167	S	C	*	.	H	α-helix	trans	-65.3	-37.8	176.4	0	0	0	0	0	111.9	N218 A223 A224	N218-A220 PolarHBondContact O-N 3.08Å; A220-A223 PolarHBondContact O-N 3.03Å; A220-A224 PolarHBondContact O-N 3.24Å
221	L	96.4	Very high	95	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-48.4	173.6	-172.9	154.6	0	0	0	110.9	L190 P214 N218 V219 A223 A224 V225	L190-L221 HydrophobicContact CB-CD2 4.39Å; L190-L221 HydrophobicContact CD2-CD2 3.75Å; L190-L221 HydrophobicContact CG-CD1 4.41Å; L190-L221 HydrophobicContact CG-CD2 4.03Å; P214-L221 HydrophobicContact CB-CD2 3.9Å; P214-L221 HydrophobicContact CG-CD2 4Å; N218-L221 HydrophobicContact CB-CB 4.04Å; N218-L221 WeakPolarHBondContact O-CB 3.1Å; N218-L221 PolarHBondContact O-N 3.31Å; N218-L221 PolarHBondContact OD1-N 3.24Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-L221 PolarHBondContact O-N 2.89Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.36Å; L221-A224 PolarHBondContact O-N 3.44Å; L221-A224 VanDerWaalsContact O-N 3.15Å; L221-V225 HydrophobicContact CD2-CG2 4.09Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 3.4Å
222	A	96.4	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.8	-41.6	176.6	0	0	0	0	0	111.9	P214 F215 N218 V219 V225 L226 P251	P214-A222 HydrophobicContact CB-CB 4.02Å; F215-A222 HydrophobicContact CD2-CB 3.84Å; F215-A222 HydrophobicContact CE2-CB 3.98Å; F215-A222 HydrophobicContact CG-CB 4.3Å; N218-A222 PolarHBondContact O-N 3.07Å; N218-A222 VanDerWaalsContact O-N 3.14Å; V219-A222 PolarHBondContact O-N 3.32Å; A222-V225 PolarHBondContact O-N 3.25Å; A222-L226 WeakPolarHBondContact O-CB 3.37Å; A222-L226 PolarHBondContact O-N 3.2Å; A222-P251 HydrophobicContact CB-CB 4.22Å; A222-P251 HydrophobicContact CB-CG 3.89Å
223	A	96.6	Very high	94.8	Very high	16 Å²	16	32.9 Å²	32.9	13%	0.132	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-40.9	176	0	0	0	0	0	112.5	V219 A220 L221 L226 T227 P251 E254	V219-A223 VanDerWaalsContact O-CB 3.32Å; V219-A223 WeakPolarHBondContact O-CB 3.36Å; V219-A223 PolarHBondContact O-N 3.09Å; A220-A223 PolarHBondContact O-N 3.03Å; L221-A223 VanDerWaalsContact C-N 3.27Å; L221-A223 PolarHBondContact O-N 3.36Å; A223-L226 PolarHBondContact O-N 3.42Å; A223-T227 WeakPolarHBondContact O-CB 3.43Å; A223-T227 PolarHBondContact O-N 3.23Å; A223-T227 PolarHBondContact O-OG1 3.24Å; A223-P251 HydrophobicContact CB-CB 4.19Å; A223-E254 HydrophobicContact CB-CG 3.96Å
224	A	97	Very high	94.9	Very high	22 Å²	22	32.5 Å²	32.5	18%	0.182	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-44.7	176	0	0	0	0	0	111.8	Y193 A220 L221 T227 D228	Y193-A224 HydrophobicContact CD1-CB 3.96Å; Y193-A224 HydrophobicContact CE1-CB 4.14Å; A220-A224 PolarHBondContact O-N 3.24Å; L221-A224 PolarHBondContact O-N 3.44Å; L221-A224 VanDerWaalsContact O-N 3.15Å; A224-T227 WeakPolarHBondContact O-CB 3.24Å; A224-T227 PolarHBondContact O-N 3.18Å; A224-D228 PolarHBondContact O-N 3.36Å
225	V	97.3	Very high	95	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-47.9	176.3	177.8	0	0	0	0	110.8	L190 Y193 L198 L209 L211 L221 A222 T227 D228 V229	L190-V225 HydrophobicContact CD2-CG2 4.35Å; Y193-V225 HydrophobicContact CD1-CG2 3.77Å; Y193-V225 HydrophobicContact CD2-CG2 3.81Å; Y193-V225 HydrophobicContact CE1-CB 4.48Å; Y193-V225 HydrophobicContact CE1-CG2 3.84Å; Y193-V225 HydrophobicContact CE2-CG2 3.89Å; Y193-V225 HydrophobicContact CG-CG2 3.76Å; L198-V225 HydrophobicContact CD1-CG1 3.99Å; L209-V225 HydrophobicContact CD1-CG1 4.18Å; L211-V225 HydrophobicContact CD1-CB 4.18Å; L211-V225 HydrophobicContact CD1-CG1 3.73Å; L221-V225 HydrophobicContact CD2-CG2 4.09Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 3.4Å; A222-V225 PolarHBondContact O-N 3.25Å; V225-T227 VanDerWaalsContact C-N 3.33Å; V225-T227 PolarHBondContact O-N 3.32Å; V225-D228 PolarHBondContact O-N 3.19Å; V225-V229 PolarHBondContact O-N 3.42Å
226	L	96.4	Very high	95.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-61.4	-40.3	177	-81.1	-175.3	0	0	0	112.4	L209 F215 A222 A223 D228 V229 S230 L238 P251 F252	L209-L226 HydrophobicContact CD1-CD2 4.16Å; F215-L226 HydrophobicContact CZ-CD1 3.94Å; A222-L226 WeakPolarHBondContact O-CB 3.37Å; A222-L226 PolarHBondContact O-N 3.2Å; A223-L226 PolarHBondContact O-N 3.42Å; L226-D228 PolarHBondContact O-N 3.4Å; L226-V229 HydrophobicContact CD2-CG2 4.48Å; L226-V229 PolarHBondContact O-N 3.2Å; L226-S230 WeakPolarHBondContact O-CB 3.3Å; L226-S230 PolarHBondContact O-N 3.08Å; L226-S230 PolarHBondContact O-OG 2.71Å; L226-L238 HydrophobicContact CD2-CD2 4.23Å; L226-P251 HydrophobicContact CD1-CB 3.67Å; L226-F252 HydrophobicContact CD1-CD1 4.35Å
227	T	95.9	Very high	95.4	Very high	32 Å²	32	32.2 Å²	32.2	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-38.8	178	-60.1	0	0	0	0	112	A223 A224 V225 E254	A223-T227 WeakPolarHBondContact O-CB 3.43Å; A223-T227 PolarHBondContact O-N 3.23Å; A223-T227 PolarHBondContact O-OG1 3.24Å; A224-T227 WeakPolarHBondContact O-CB 3.24Å; A224-T227 PolarHBondContact O-N 3.18Å; V225-T227 VanDerWaalsContact C-N 3.33Å; V225-T227 PolarHBondContact O-N 3.32Å; T227-E254 WeakPolarHBondContact OG1-CB 3.19Å
228	D	95.8	Very high	95.7	Very high	14 Å²	14	26.7 Å²	26.7	8%	0.075	16%	0.158	C	C	.	.	H	α-helix	trans	-74	-26.5	-176.9	-75.7	-8.5	0	0	0	113.3	Y193 G196 T197 L198 G199 A224 V225 L226 Y231	Y193-D228 VanDerWaalsContact CE1-OD2 3.3Å; Y193-D228 WeakPolarHBondContact CE1-OD2 3.39Å; Y193-D228 VanDerWaalsContact CZ-OD2 3.27Å; Y193-D228 PolarHBondContact OH-OD2 3.11Å; G196-D228 VanDerWaalsContact CA-OD2 3.3Å; G196-D228 WeakPolarHBondContact CA-OD2 3.03Å; G196-D228 PolarHBondContact N-OD1 3.21Å; G196-D228 PolarHBondContact N-OD2 3.38Å; T197-D228 PolarHBondContact N-OD2 2.77Å; L198-D228 HydrophobicContact CB-CB 4.18Å; G199-D228 WeakPolarHBondContact CA-O 3.49Å; A224-D228 PolarHBondContact O-N 3.36Å; V225-D228 PolarHBondContact O-N 3.19Å; L226-D228 PolarHBondContact O-N 3.4Å; D228-Y231 VanDerWaalsContact O-CE2 3.27Å; D228-Y231 WeakPolarHBondContact O-CE2 3.39Å
229	V	95.8	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-104.6	-8.3	-178.7	-57.2	0	0	0	0	113.8	L198 L204 V207 L209 V225 L226 Y231 I236	L198-V229 HydrophobicContact CB-CG1 3.86Å; L198-V229 HydrophobicContact CD1-CG1 3.81Å; L204-V229 HydrophobicContact CD1-CG1 4.41Å; V207-V229 HydrophobicContact CG1-CB 4.11Å; V207-V229 HydrophobicContact CG1-CG1 4.05Å; V207-V229 HydrophobicContact CG1-CG2 4.37Å; V207-V229 HydrophobicContact CG2-CB 4.25Å; L209-V229 HydrophobicContact CD1-CG2 3.91Å; V225-V229 PolarHBondContact O-N 3.42Å; L226-V229 HydrophobicContact CD2-CG2 4.48Å; L226-V229 PolarHBondContact O-N 3.2Å; V229-Y231 WeakPolarHBondContact O-CD2 3.33Å; V229-Y231 PolarHBondContact O-N 2.65Å; V229-I236 HydrophobicContact CG2-CD1 4.45Å
230	S	95.6	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.146	C	C	.	.			trans	-82.8	108.6	-175.6	-64.3	0	0	0	0	111.7	L226 S255 K258	L226-S230 WeakPolarHBondContact O-CB 3.3Å; L226-S230 PolarHBondContact O-N 3.08Å; L226-S230 PolarHBondContact O-OG 2.71Å; S230-S255 WeakPolarHBondContact OG-CB 3.28Å; S230-S255 PolarHBondContact OG-OG 2.04Å; S230-K258 VanDerWaalsContact O-CB 3.26Å; S230-K258 WeakPolarHBondContact O-CB 3.05Å; S230-K258 WeakPolarHBondContact O-CG 3.17Å
231	Y	93.5	Very high	95.8	Very high	54 Å²	54	21.5 Å²	21.5	21%	0.212	12%	0.118	C	C	.	.			trans	-136.8	150.9	173	-60.5	-87.5	0	0	0	110.5	W202 D228 V229 E233 T234	W202-Y231 HydrophobicContact CB-CE2 4.43Å; W202-Y231 AromaticContact CD1-CD1 3.68Å; W202-Y231 AromaticContact CD1-CD2 3.74Å; W202-Y231 AromaticContact CD1-CE1 3.41Å; W202-Y231 VanDerWaalsContact CD1-CE1 3.41Å; W202-Y231 AromaticContact CD1-CE2 3.5Å; W202-Y231 VanDerWaalsContact CD1-CE2 3.5Å; W202-Y231 AromaticContact CD1-CG 3.84Å; W202-Y231 AromaticContact CD1-CZ 3.32Å; W202-Y231 HydrophobicContact CG-CE1 4.1Å; W202-Y231 HydrophobicContact CG-CE2 4.26Å; W202-Y231 AromaticContact CG-CZ 3.86Å; W202-Y231 AromaticContact NE1-CD1 3.62Å; W202-Y231 AromaticContact NE1-CE1 3.66Å; W202-Y231 AromaticContact NE1-CG 3.96Å; D228-Y231 VanDerWaalsContact O-CE2 3.27Å; D228-Y231 WeakPolarHBondContact O-CE2 3.39Å; V229-Y231 WeakPolarHBondContact O-CD2 3.33Å; V229-Y231 PolarHBondContact O-N 2.65Å; Y231-E233 PolarHBondContact O-N 2.83Å; Y231-T234 PolarHBondContact O-N 3.42Å
232	P	93.4	Very high	95.7	Very high	47 Å²	47	24 Å²	24	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.6	-178.1	-26.9	34.2	0	0	0	114.8	R259 R261	P232-R259 WeakPolarHBondContact CB-O 3.38Å; P232-R259 WeakPolarHBondContact CG-O 3.44Å; P232-R261 HydrophobicContact CB-CG 4.4Å; P232-R261 VanDerWaalsContact O-CB 3.32Å; P232-R261 WeakPolarHBondContact O-CB 3.24Å; P232-R261 WeakPolarHBondContact O-CD 3.17Å; P232-R261 VanDerWaalsContact O-CG 3.31Å; P232-R261 WeakPolarHBondContact O-CG 3.43Å
233	E	91.6	Very high	95.4	Very high	135 Å²	135	24.1 Å²	24.1	63%	0.631	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-1	-176.4	-52.9	-59.7	168.2	0	0	113.3	Y231 P235 R261	Y231-E233 PolarHBondContact O-N 2.83Å; E233-P235 WeakPolarHBondContact O-CD 3.49Å; E233-R261 VanDerWaalsContact CD-NH1 3.27Å; E233-R261 IonicContact OE1-CZ 2.71Å; E233-R261 IonicContact OE1-NH1 3.35Å; E233-R261 PolarHBondContact OE1-NH1 3.31Å; E233-R261 IonicContact OE1-NH2 3.25Å; E233-R261 IonicContact OE2-NH1 2.98Å; E233-R261 PolarHBondContact OE2-NH1 3.13Å; E233-R261 VanDerWaalsContact OE2-NH1 3.11Å
234	T	94.9	Very high	94.8	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.031	14%	0.143	C	C	.	.	S	Bend	trans	-106	108.2	-176.8	-56.4	0	0	0	0	109.8	L204 V207 Y231 I236	L204-T234 HydrophobicContact CB-CG2 3.84Å; L204-T234 WeakPolarHBondContact O-CG2 3.42Å; L204-T234 PolarHBondContact O-OG1 3.45Å; V207-T234 HydrophobicContact CB-CG2 4.5Å; V207-T234 HydrophobicContact CG2-CG2 3.69Å; Y231-T234 PolarHBondContact O-N 3.42Å; T234-I236 PolarHBondContact O-N 3.12Å
235	P	96.6	Very high	94.1	Very high	42 Å²	42	27.2 Å²	27.2	27%	0.273	15%	0.146	S	C	.	.			trans	-66.4	130.3	173.2	-21.4	36.3	0	0	0	111.1	G205 V207 E233	G205-P235 WeakPolarHBondContact O-CD 3.46Å; V207-P235 PolarHBondContact N-O 3.04Å; E233-P235 WeakPolarHBondContact O-CD 3.49Å
236	I	97.1	Very high	93.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.8	177	-61.5	163.2	0	0	0	109	V207 V229 T234 L238 I260 S262 L263 S264	V207-I236 CarbonylContact O-C 3.59Å; V229-I236 HydrophobicContact CG2-CD1 4.45Å; T234-I236 PolarHBondContact O-N 3.12Å; I236-L238 HydrophobicContact CG2-CD2 3.9Å; I236-L238 HydrophobicContact CG2-CG 4.04Å; I236-I260 HydrophobicContact CD1-CG2 4.2Å; I236-S262 PolarHBondContact N-O 3.5Å; I236-L263 HydrophobicContact CB-CD1 4.05Å; I236-L263 HydrophobicContact CG2-CD1 4.08Å; I236-S264 PolarHBondContact O-N 3.1Å
237	V	98.1	Very high	93.2	Very high	8 Å²	8	34.5 Å²	34.5	5%	0.048	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.6	171.4	-172.1	0	0	0	0	108.3	R206 V207 T208 L209 E239 S264 R266	R206-V237 HydrophobicContact CG-CG2 4.46Å; V207-V237 PolarHBondContact O-N 3.42Å; T208-V237 CarbonylContact C-O 3.59Å; T208-V237 VanDerWaalsContact CA-O 3.28Å; T208-V237 WeakPolarHBondContact CA-O 3.29Å; T208-V237 HydrophobicContact CG2-CB 4.18Å; T208-V237 HydrophobicContact CG2-CG1 4.25Å; L209-V237 PolarHBondContact N-O 3.32Å; V237-E239 HydrophobicContact CG1-CG 4.15Å; V237-S264 CarbonylContact C-O 3.56Å; V237-S264 WeakPolarHBondContact CA-O 3.44Å; V237-R266 HydrophobicContact CG1-CG 4.28Å
238	L	97.6	Very high	92.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.2	174.9	-61	178.2	0	0	0	109.3	L209 F215 L226 I236 L241 F252 L263 S264 F265 R266	L209-L238 HydrophobicContact CB-CD2 3.83Å; L209-L238 HydrophobicContact CD1-CD2 4.05Å; L209-L238 HydrophobicContact CG-CD2 4.36Å; L209-L238 WeakPolarHBondContact O-CA 3.27Å; F215-L238 HydrophobicContact CZ-CD1 4.43Å; L226-L238 HydrophobicContact CD2-CD2 4.23Å; I236-L238 HydrophobicContact CG2-CD2 3.9Å; I236-L238 HydrophobicContact CG2-CG 4.04Å; L238-L241 HydrophobicContact CB-CD1 3.63Å; L238-L241 HydrophobicContact CB-CG 4.32Å; L238-L241 HydrophobicContact CD1-CD1 3.77Å; L238-L241 HydrophobicContact CG-CD1 4.17Å; L238-F252 HydrophobicContact CD1-CE1 3.42Å; L238-F252 VanDerWaalsContact CD1-CE1 3.42Å; L238-F252 HydrophobicContact CD1-CZ 3.76Å; L238-L263 HydrophobicContact CD1-CD1 4.28Å; L238-S264 PolarHBondContact N-O 3.33Å; L238-F265 HydrophobicContact CB-CD1 4.06Å; L238-F265 HydrophobicContact CB-CE1 4.29Å; L238-F265 HydrophobicContact CD1-CD1 4.43Å; L238-F265 HydrophobicContact CD1-CE1 3.82Å; L238-F265 HydrophobicContact CD1-CZ 4.47Å; L238-F265 CarbonylContact O-C 3Å; L238-F265 WeakPolarHBondContact O-CA 3.26Å; L238-R266 PolarHBondContact O-N 3.03Å
239	E	97.3	Very high	92.8	Very high	18 Å²	18	32.3 Å²	32.3	8%	0.084	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.6	-178.6	-45.7	-169.7	148.8	0	0	111.6	T208 L209 R210 V237 L241 R266	T208-E239 HydrophobicContact CG2-CG 3.73Å; L209-E239 PolarHBondContact O-N 3.39Å; R210-E239 HydrophobicContact CG-CB 3.67Å; R210-E239 IonicContact CZ-OE2 2.83Å; R210-E239 VanDerWaalsContact CZ-OE2 3.23Å; R210-E239 IonicContact NE-OE2 3.65Å; R210-E239 PolarHBondContact NE-OE2 3.38Å; R210-E239 IonicContact NH2-OE2 3.44Å; R210-E239 PolarHBondContact NH2-OE2 2.85Å; V237-E239 HydrophobicContact CG1-CG 4.15Å; E239-L241 VanDerWaalsContact C-N 3.31Å; E239-L241 PolarHBondContact O-N 2.89Å; E239-R266 CarbonylContact C-O 3.37Å; E239-R266 VanDerWaalsContact CA-O 3.28Å; E239-R266 WeakPolarHBondContact CA-O 3.14Å; E239-R266 HydrophobicContact CB-CB 4.38Å; E239-R266 HydrophobicContact CG-CB 4.06Å; E239-R266 VanDerWaalsContact OE1-CD 3.27Å; E239-R266 WeakPolarHBondContact OE1-CD 3.18Å; E239-R266 IonicContact OE1-CZ 2.92Å; E239-R266 IonicContact OE1-NH1 3.93Å; E239-R266 PolarHBondContact OE1-NH1 2.02Å
240	D	95.2	Very high	92.6	Very high	37 Å²	37	35.6 Å²	35.6	20%	0.198	19%	0.186	C	C	.	.	S	Bend	trans	57.2	35.5	174	-58.9	-24.7	0	0	0	114.7	R210 H212 R266 N267	R210-D240 VanDerWaalsContact CD-OD2 3.31Å; R210-D240 WeakPolarHBondContact CD-OD2 3.45Å; R210-D240 IonicContact CZ-OD2 3.35Å; R210-D240 IonicContact NE-OD2 3.22Å; R210-D240 PolarHBondContact NE-OD2 2.81Å; R210-D240 IonicContact NH1-OD2 3.29Å; R210-D240 PolarHBondContact NH1-OD2 3.41Å; H212-D240 PolarHBondContact ND1-O 3.43Å; D240-R266 PolarHBondContact N-O 3.01Å; D240-N267 VanDerWaalsContact CA-O 3.3Å; D240-N267 WeakPolarHBondContact CA-O 3.4Å; D240-N267 PolarHBondContact N-O 3.35Å; D240-N267 WeakPolarHBondContact OD1-CB 3.01Å; D240-N267 PolarHBondContact OD1-ND2 2.89Å
241	L	94	Very high	92.6	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.186	C	C	.	.			trans	-94.4	138	-180	-68.1	-172.1	0	0	0	112.4	F215 L238 E239 F268 S269	F215-L241 HydrophobicContact CB-CD2 4.48Å; F215-L241 HydrophobicContact CD1-CD1 4.49Å; F215-L241 HydrophobicContact CD2-CD1 4.32Å; F215-L241 HydrophobicContact CD2-CD2 3.85Å; F215-L241 HydrophobicContact CE1-CD1 4.24Å; F215-L241 HydrophobicContact CE2-CD1 4.03Å; F215-L241 HydrophobicContact CE2-CD2 4.25Å; F215-L241 HydrophobicContact CG-CD2 4.15Å; F215-L241 HydrophobicContact CZ-CD1 3.97Å; L238-L241 HydrophobicContact CB-CD1 3.63Å; L238-L241 HydrophobicContact CB-CG 4.32Å; L238-L241 HydrophobicContact CD1-CD1 3.77Å; L238-L241 HydrophobicContact CG-CD1 4.17Å; E239-L241 VanDerWaalsContact C-N 3.31Å; E239-L241 PolarHBondContact O-N 2.89Å; L241-F268 HydrophobicContact CB-CD2 3.88Å; L241-F268 HydrophobicContact CB-CE2 4.16Å; L241-F268 CarbonylContact O-C 3.5Å; L241-F268 WeakPolarHBondContact O-CA 3.4Å; L241-F268 WeakPolarHBondContact O-CD2 3.12Å; L241-S269 PolarHBondContact O-N 3.11Å
242	H	92.7	Very high	92.7	Very high	65 Å²	65	33 Å²	33	30%	0.301	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111.8	169.2	-177	49.9	0	0	0	108.7	I244 S269	H242-I244 VanDerWaalsContact CD2-CD1 3.48Å; H242-I244 WeakPolarHBondContact CD2-CD1 3.29Å; H242-I244 VanDerWaalsContact CD2-CG1 3.48Å; H242-I244 WeakPolarHBondContact CD2-CG1 3.23Å; H242-I244 WeakPolarHBondContact NE2-CD1 3.33Å; H242-I244 WeakPolarHBondContact NE2-CG1 2.99Å; H242-S269 WeakPolarHBondContact CA-O 3.33Å; H242-S269 PolarHBondContact CE1-OG 3.38Å; H242-S269 VanDerWaalsContact ND1-CB 3.3Å; H242-S269 WeakPolarHBondContact ND1-CB 3.46Å; H242-S269 PolarHBondContact ND1-O 2.95Å; H242-S269 PolarHBondContact ND1-OG 3.49Å
243	L	90.4	Very high	92.6	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.6	179	-57.4	-173.3	0	0	0	109.8	F215 S248 V249 F252 F268 S269 V270 T274	F215-L243 HydrophobicContact CD1-CD2 3.77Å; F215-L243 HydrophobicContact CE1-CD2 4.27Å; L243-S248 WeakPolarHBondContact CA-OG 3.33Å; L243-S248 WeakPolarHBondContact CB-OG 3.34Å; L243-V249 HydrophobicContact CD1-CG2 4.41Å; L243-F252 HydrophobicContact CD1-CE2 3.82Å; L243-F252 HydrophobicContact CD1-CZ 4.37Å; L243-F252 HydrophobicContact CD2-CE2 4.25Å; L243-F268 HydrophobicContact CD1-CE2 3.61Å; L243-F268 HydrophobicContact CD1-CZ 3.44Å; L243-F268 VanDerWaalsContact CD1-CZ 3.44Å; L243-F268 HydrophobicContact CD2-CE2 4.43Å; L243-F268 HydrophobicContact CG-CE2 3.53Å; L243-F268 HydrophobicContact CG-CZ 3.79Å; L243-S269 PolarHBondContact N-O 2.91Å; L243-V270 HydrophobicContact CB-CG2 4.19Å; L243-T274 HydrophobicContact CB-CG2 3.7Å
244	I	83.9	Confident	92.6	Very high	79 Å²	79	32.8 Å²	32.8	41%	0.405	17%	0.166	S	C	.	.			trans	-120.8	109.7	178.4	-52.9	176.5	0	0	0	107.8	L216 H242 H247 S248	L216-I244 HydrophobicContact CD2-CD1 4.11Å; L216-I244 HydrophobicContact CD2-CG1 4.35Å; H242-I244 VanDerWaalsContact CD2-CD1 3.48Å; H242-I244 WeakPolarHBondContact CD2-CD1 3.29Å; H242-I244 VanDerWaalsContact CD2-CG1 3.48Å; H242-I244 WeakPolarHBondContact CD2-CG1 3.23Å; H242-I244 WeakPolarHBondContact NE2-CD1 3.33Å; H242-I244 WeakPolarHBondContact NE2-CG1 2.99Å; I244-H247 PolarHBondContact O-CE1 3.19Å; I244-H247 PolarHBondContact O-ND1 3.44Å; I244-H247 PolarHBondContact O-NE2 2.98Å; I244-S248 PolarHBondContact N-OG 2.95Å; I244-S248 PolarHBondContact O-OG 2.91Å
245	G	83.6	Confident	92.4	Very high	25 Å²	25	32.6 Å²	32.6	26%	0.258	17%	0.165	S	C	.	.	H	α-helix	trans	59.7	-177	176.1	0	0	0	0	0	115.1	H247 S248 T274	G245-H247 VanDerWaalsContact C-N 3.31Å; G245-H247 PolarHBondContact O-N 3.04Å; G245-S248 PolarHBondContact O-N 3.18Å; G245-S248 PolarHBondContact O-OG 2.88Å; G245-T274 WeakPolarHBondContact CA-OG1 3.44Å; G245-T274 PolarHBondContact N-OG1 2.95Å
246	N	85.6	Confident	92.1	Very high	68 Å²	68	31.5 Å²	31.5	36%	0.364	16%	0.16	S	C	.	.	H	α-helix	trans	-60	-34.4	-171.5	-161.4	-32	0	0	0	114.4	S248 V249 L250 D277	N246-S248 VanDerWaalsContact C-N 3.32Å; N246-S248 PolarHBondContact O-N 3.38Å; N246-V249 WeakPolarHBondContact O-CB 3.31Å; N246-V249 PolarHBondContact O-N 2.66Å; N246-L250 PolarHBondContact O-N 2.01Å; N246-D277 WeakPolarHBondContact CA-OD2 3.42Å; N246-D277 VanDerWaalsContact CB-OD2 3.24Å; N246-D277 WeakPolarHBondContact CB-OD2 3.49Å; N246-D277 PolarHBondContact N-OD2 2.8Å; N246-D277 PolarHBondContact ND2-OD1 3.1Å
247	H	87.9	Confident	91.9	Very high	87 Å²	87	38.2 Å²	38.2	40%	0.403	19%	0.189	S	C	.	.	H	α-helix	trans	-61.6	-40.2	-175.4	67.5	-86.3	0	0	0	112.6	V219 I244 G245 V249 L250	V219-H247 WeakPolarHBondContact CG1-O 3.08Å; I244-H247 PolarHBondContact O-CE1 3.19Å; I244-H247 PolarHBondContact O-ND1 3.44Å; I244-H247 PolarHBondContact O-NE2 2.98Å; G245-H247 VanDerWaalsContact C-N 3.31Å; G245-H247 PolarHBondContact O-N 3.04Å; H247-V249 PolarHBondContact O-N 2.92Å; H247-L250 PolarHBondContact O-N 2.91Å
248	S	90.9	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.8	-14.8	177.8	68.1	0	0	0	0	113.2	F215 L243 I244 G245 N246 P251	F215-S248 WeakPolarHBondContact CD1-O 3.45Å; L243-S248 WeakPolarHBondContact CA-OG 3.33Å; L243-S248 WeakPolarHBondContact CB-OG 3.34Å; I244-S248 PolarHBondContact N-OG 2.95Å; I244-S248 PolarHBondContact O-OG 2.91Å; G245-S248 PolarHBondContact O-N 3.18Å; G245-S248 PolarHBondContact O-OG 2.88Å; N246-S248 VanDerWaalsContact C-N 3.32Å; N246-S248 PolarHBondContact O-N 3.38Å; S248-P251 WeakPolarHBondContact O-CD 3.42Å
249	V	92.7	Very high	91.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-91.6	-23	-179.3	172.9	0	0	0	0	112.8	L243 N246 H247 P251 F252 T274 D277 F278 A281	L243-V249 HydrophobicContact CD1-CG2 4.41Å; N246-V249 WeakPolarHBondContact O-CB 3.31Å; N246-V249 PolarHBondContact O-N 2.66Å; H247-V249 PolarHBondContact O-N 2.92Å; V249-P251 VanDerWaalsContact C-N 3.3Å; V249-P251 WeakPolarHBondContact O-CD 3.49Å; V249-P251 VanDerWaalsContact O-N 3.13Å; V249-F252 HydrophobicContact CG1-CD2 4.38Å; V249-F252 WeakPolarHBondContact O-CB 3.32Å; V249-F252 WeakPolarHBondContact O-CD2 3.49Å; V249-F252 PolarHBondContact O-N 3.41Å; V249-T274 HydrophobicContact CG2-CG2 3.58Å; V249-D277 HydrophobicContact CB-CB 4.44Å; V249-D277 HydrophobicContact CG1-CB 4.36Å; V249-D277 HydrophobicContact CG2-CB 4.2Å; V249-F278 VanDerWaalsContact CG1-CA 3.45Å; V249-F278 HydrophobicContact CG1-CB 4.11Å; V249-F278 HydrophobicContact CG2-CB 4.26Å; V249-A281 HydrophobicContact CG1-CB 3.61Å
250	L	92.6	Very high	91.2	Very high	68 Å²	68	48.3 Å²	48.3	36%	0.356	23%	0.228	S	C	.	.	H	α-helix	trans	-50.8	-37.2	-178.1	-65.6	173.3	0	0	0	115.2	V219 N246 H247 F252 R253	V219-L250 HydrophobicContact CG1-CB 3.82Å; V219-L250 HydrophobicContact CG1-CD1 4.4Å; N246-L250 PolarHBondContact O-N 2.01Å; H247-L250 PolarHBondContact O-N 2.91Å; L250-F252 PolarHBondContact O-N 3.45Å; L250-R253 WeakPolarHBondContact O-CB 3.41Å; L250-R253 PolarHBondContact O-N 3.41Å
251	P	95.1	Very high	91.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-32.5	179.2	-27	38.9	0	0	0	113.4	F215 V219 A222 A223 L226 S248 V249 R253 E254	F215-P251 HydrophobicContact CD1-CG 4.2Å; F215-P251 HydrophobicContact CE1-CB 4.03Å; F215-P251 HydrophobicContact CE1-CG 3.98Å; F215-P251 HydrophobicContact CZ-CB 4.21Å; V219-P251 HydrophobicContact CG1-CG 3.54Å; A222-P251 HydrophobicContact CB-CB 4.22Å; A222-P251 HydrophobicContact CB-CG 3.89Å; A223-P251 HydrophobicContact CB-CB 4.19Å; L226-P251 HydrophobicContact CD1-CB 3.67Å; S248-P251 WeakPolarHBondContact O-CD 3.42Å; V249-P251 VanDerWaalsContact C-N 3.3Å; V249-P251 WeakPolarHBondContact O-CD 3.49Å; V249-P251 VanDerWaalsContact O-N 3.13Å; P251-R253 PolarHBondContact O-N 2.85Å; P251-E254 PolarHBondContact O-N 3.16Å
252	F	94.9	Very high	91.3	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-21.5	179.7	-63.1	-73.8	0	0	0	113.3	F215 L226 L238 L243 V249 L250 E254 S255 A256 L263 F265 F278 A281 L282	F215-F252 HydrophobicContact CD1-CE2 4.49Å; F215-F252 HydrophobicContact CE1-CD2 4.4Å; F215-F252 AromaticContact CE1-CE2 3.62Å; F215-F252 HydrophobicContact CE1-CE2 3.62Å; F215-F252 AromaticContact CE1-CZ 3.7Å; F215-F252 HydrophobicContact CE1-CZ 3.7Å; F215-F252 HydrophobicContact CZ-CE2 4.4Å; F215-F252 HydrophobicContact CZ-CZ 4.08Å; L226-F252 HydrophobicContact CD1-CD1 4.35Å; L238-F252 HydrophobicContact CD1-CE1 3.42Å; L238-F252 VanDerWaalsContact CD1-CE1 3.42Å; L238-F252 HydrophobicContact CD1-CZ 3.76Å; L243-F252 HydrophobicContact CD1-CE2 3.82Å; L243-F252 HydrophobicContact CD1-CZ 4.37Å; L243-F252 HydrophobicContact CD2-CE2 4.25Å; V249-F252 HydrophobicContact CG1-CD2 4.38Å; V249-F252 WeakPolarHBondContact O-CB 3.32Å; V249-F252 WeakPolarHBondContact O-CD2 3.49Å; V249-F252 PolarHBondContact O-N 3.41Å; L250-F252 PolarHBondContact O-N 3.45Å; F252-E254 VanDerWaalsContact C-N 3.27Å; F252-E254 PolarHBondContact O-N 3.32Å; F252-S255 WeakPolarHBondContact O-CB 3.45Å; F252-S255 PolarHBondContact O-N 3.26Å; F252-A256 PolarHBondContact O-N 3.44Å; F252-L263 HydrophobicContact CD1-CD2 4.36Å; F252-L263 HydrophobicContact CE1-CD2 4.36Å; F252-F265 HydrophobicContact CE1-CE1 4.03Å; F252-F265 AromaticContact CE1-CZ 3.9Å; F252-F265 HydrophobicContact CE1-CZ 3.9Å; F252-F265 AromaticContact CZ-CE1 3.84Å; F252-F265 HydrophobicContact CZ-CE1 3.84Å; F252-F265 HydrophobicContact CZ-CZ 4.02Å; F252-F278 HydrophobicContact CB-CD2 4.48Å; F252-F278 HydrophobicContact CB-CE2 4.38Å; F252-F278 HydrophobicContact CD1-CD2 4.44Å; F252-F278 AromaticContact CD1-CE2 3.78Å; F252-F278 HydrophobicContact CD1-CE2 3.78Å; F252-F278 AromaticContact CD2-CD2 3.78Å; F252-F278 HydrophobicContact CD2-CD2 3.78Å; F252-F278 AromaticContact CD2-CE2 3.94Å; F252-F278 HydrophobicContact CD2-CE2 3.94Å; F252-F278 AromaticContact CE1-CE2 3.96Å; F252-F278 HydrophobicContact CE1-CE2 3.96Å; F252-F278 HydrophobicContact CE2-CD2 4.09Å; F252-F278 HydrophobicContact CE2-CE2 4.15Å; F252-F278 AromaticContact CG-CD2 3.99Å; F252-F278 HydrophobicContact CG-CD2 3.99Å; F252-F278 AromaticContact CG-CE2 3.77Å; F252-F278 HydrophobicContact CG-CE2 3.77Å; F252-F278 HydrophobicContact CZ-CE2 4.17Å; F252-A281 HydrophobicContact CB-CB 4.49Å; F252-L282 HydrophobicContact CB-CD2 4.07Å
253	R	92.6	Very high	91.4	Very high	115 Å²	115	49.3 Å²	49.3	43%	0.434	23%	0.229	S	C	.	.	H	α-helix	trans	-65.5	-33	174.8	-65.7	-175.1	177.6	177.5	1.7	111.8	L250 P251 A256 K257 A281	L250-R253 WeakPolarHBondContact O-CB 3.41Å; L250-R253 PolarHBondContact O-N 3.41Å; P251-R253 PolarHBondContact O-N 2.85Å; R253-A256 PolarHBondContact O-N 3.24Å; R253-K257 WeakPolarHBondContact O-CG 3.43Å; R253-K257 PolarHBondContact O-N 2.84Å; R253-A281 HydrophobicContact CG-CB 3.75Å
254	E	90.1	Very high	91.7	Very high	61 Å²	61	49.9 Å²	49.9	29%	0.285	23%	0.233	S	C	.	.	H	α-helix	trans	-71.8	-37.5	176.3	-60.2	-51.5	133.8	0	0	111.3	A223 T227 P251 F252 K257 K258	A223-E254 HydrophobicContact CB-CG 3.96Å; T227-E254 WeakPolarHBondContact OG1-CB 3.19Å; P251-E254 PolarHBondContact O-N 3.16Å; F252-E254 VanDerWaalsContact C-N 3.27Å; F252-E254 PolarHBondContact O-N 3.32Å; E254-K257 WeakPolarHBondContact O-CB 3Å; E254-K257 PolarHBondContact O-N 3.41Å; E254-K257 IonicContact OE1-NZ 3.09Å; E254-K257 PolarHBondContact OE1-NZ 3.45Å; E254-K257 WeakPolarHBondContact OE2-CD 3.46Å; E254-K257 IonicContact OE2-NZ 2.67Å; E254-K257 PolarHBondContact OE2-NZ 3.37Å; E254-K258 PolarHBondContact O-N 3.26Å
255	S	90.9	Very high	92.4	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-42.7	170.6	-62.6	0	0	0	0	112.4	S230 F252 K257 K258 R259	S230-S255 WeakPolarHBondContact OG-CB 3.28Å; S230-S255 PolarHBondContact OG-OG 2.04Å; F252-S255 WeakPolarHBondContact O-CB 3.45Å; F252-S255 PolarHBondContact O-N 3.26Å; S255-K257 VanDerWaalsContact C-N 3.3Å; S255-K257 PolarHBondContact O-N 3.21Å; S255-K258 WeakPolarHBondContact O-CA 3.5Å; S255-K258 WeakPolarHBondContact O-CB 3.22Å; S255-K258 PolarHBondContact O-N 3.13Å; S255-R259 PolarHBondContact O-N 3.15Å
256	A	90.4	Very high	93	Very high	18 Å²	18	49.6 Å²	49.6	15%	0.149	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-36.7	176.8	0	0	0	0	0	112.6	F252 R253 K258 R259 L282 D285	F252-A256 PolarHBondContact O-N 3.44Å; R253-A256 PolarHBondContact O-N 3.24Å; A256-K258 PolarHBondContact O-N 2.92Å; A256-K258 VanDerWaalsContact O-N 3.17Å; A256-R259 PolarHBondContact O-N 2.99Å; A256-L282 HydrophobicContact CB-CD2 3.91Å; A256-D285 HydrophobicContact CB-CB 4.46Å; A256-D285 VanDerWaalsContact O-OD1 3.1Å
257	K	92.4	Very high	93.6	Very high	143 Å²	143	50.8 Å²	50.8	62%	0.622	23%	0.225	S	C	*	.	H	α-helix	trans	-60.3	-26.7	173.8	-69.3	174	-166	167.6	0	112.5	R253 E254 S255 R259	R253-K257 WeakPolarHBondContact O-CG 3.43Å; R253-K257 PolarHBondContact O-N 2.84Å; E254-K257 WeakPolarHBondContact O-CB 3Å; E254-K257 PolarHBondContact O-N 3.41Å; E254-K257 IonicContact OE1-NZ 3.09Å; E254-K257 PolarHBondContact OE1-NZ 3.45Å; E254-K257 WeakPolarHBondContact OE2-CD 3.46Å; E254-K257 IonicContact OE2-NZ 2.67Å; E254-K257 PolarHBondContact OE2-NZ 3.37Å; S255-K257 VanDerWaalsContact C-N 3.3Å; S255-K257 PolarHBondContact O-N 3.21Å; K257-R259 VanDerWaalsContact C-N 3.33Å
258	K	93.1	Very high	93.9	Very high	86 Å²	86	47.2 Å²	47.2	37%	0.374	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-0.2	178	-61.8	-73.9	-170.5	162.9	0	113.6	S230 E254 S255 A256	S230-K258 VanDerWaalsContact O-CB 3.26Å; S230-K258 WeakPolarHBondContact O-CB 3.05Å; S230-K258 WeakPolarHBondContact O-CG 3.17Å; E254-K258 PolarHBondContact O-N 3.26Å; S255-K258 WeakPolarHBondContact O-CA 3.5Å; S255-K258 WeakPolarHBondContact O-CB 3.22Å; S255-K258 PolarHBondContact O-N 3.13Å; A256-K258 PolarHBondContact O-N 2.92Å; A256-K258 VanDerWaalsContact O-N 3.17Å
259	R	93.4	Very high	94.1	Very high	152 Å²	152	48.4 Å²	48.4	57%	0.574	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	51.2	173.8	-58.7	-164	67.5	171.2	1.2	113.6	P232 S255 A256 K257 D285 P286	P232-R259 WeakPolarHBondContact CB-O 3.38Å; P232-R259 WeakPolarHBondContact CG-O 3.44Å; S255-R259 PolarHBondContact O-N 3.15Å; A256-R259 PolarHBondContact O-N 2.99Å; K257-R259 VanDerWaalsContact C-N 3.33Å; R259-D285 WeakPolarHBondContact CA-OD1 3.49Å; R259-P286 HydrophobicContact CB-CG 3.9Å
260	I	93.8	Very high	94.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	22%	0.217	C	C	.	.			trans	-65.6	151.1	-178	60.4	166.9	0	0	0	111.2	I236 L263 D285 P286 L287	I236-I260 HydrophobicContact CD1-CG2 4.2Å; I260-L263 HydrophobicContact CD1-CB 4.32Å; I260-L263 HydrophobicContact CD1-CD2 4.35Å; I260-D285 WeakPolarHBondContact CG1-OD2 3.3Å; I260-D285 PolarHBondContact N-OD1 2.88Å; I260-P286 CarbonylContact O-C 3.45Å; I260-L287 HydrophobicContact CD1-CD1 4.44Å; I260-L287 HydrophobicContact CG1-CD1 4.46Å; I260-L287 PolarHBondContact O-N 3.18Å
261	R	94.4	Very high	94.1	Very high	105 Å²	105	45.3 Å²	45.3	40%	0.396	20%	0.201	S	C	.	.			trans	-110.8	-22.7	178.4	-64.7	-176	177.2	157.8	5	114	P232 E233 S288 Y289	P232-R261 HydrophobicContact CB-CG 4.4Å; P232-R261 VanDerWaalsContact O-CB 3.32Å; P232-R261 WeakPolarHBondContact O-CB 3.24Å; P232-R261 WeakPolarHBondContact O-CD 3.17Å; P232-R261 VanDerWaalsContact O-CG 3.31Å; P232-R261 WeakPolarHBondContact O-CG 3.43Å; E233-R261 VanDerWaalsContact CD-NH1 3.27Å; E233-R261 IonicContact OE1-CZ 2.71Å; E233-R261 IonicContact OE1-NH1 3.35Å; E233-R261 PolarHBondContact OE1-NH1 3.31Å; E233-R261 IonicContact OE1-NH2 3.25Å; E233-R261 IonicContact OE2-NH1 2.98Å; E233-R261 PolarHBondContact OE2-NH1 3.13Å; E233-R261 VanDerWaalsContact OE2-NH1 3.11Å; R261-S288 PolarHBondContact O-N 3.34Å; R261-S288 PolarHBondContact O-OG 2.83Å; R261-S288 VanDerWaalsContact O-OG 3.13Å; R261-Y289 PolarHBondContact O-N 3.27Å
262	S	95.5	Very high	93.7	Very high	20 Å²	20	45.5 Å²	45.5	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.4	-175.9	-179.1	0	0	0	0	111.3	I236	I236-S262 PolarHBondContact N-O 3.5Å
263	L	95.6	Very high	93.2	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.4	176.7	-173.1	60.7	0	0	0	109.4	I236 L238 F252 I260 F265 F278 L282 L287 Y289 L290 H291	I236-L263 HydrophobicContact CB-CD1 4.05Å; I236-L263 HydrophobicContact CG2-CD1 4.08Å; L238-L263 HydrophobicContact CD1-CD1 4.28Å; F252-L263 HydrophobicContact CD1-CD2 4.36Å; F252-L263 HydrophobicContact CE1-CD2 4.36Å; I260-L263 HydrophobicContact CD1-CB 4.32Å; I260-L263 HydrophobicContact CD1-CD2 4.35Å; L263-F265 HydrophobicContact CD1-CZ 4.43Å; L263-F265 HydrophobicContact CD2-CE2 3.69Å; L263-F265 HydrophobicContact CD2-CZ 3.69Å; L263-F265 HydrophobicContact CG-CD2 4.46Å; L263-F265 HydrophobicContact CG-CE2 3.69Å; L263-F265 HydrophobicContact CG-CZ 3.92Å; L263-F278 HydrophobicContact CD2-CE2 4.12Å; L263-F278 HydrophobicContact CD2-CZ 3.73Å; L263-L282 HydrophobicContact CD2-CD1 3.98Å; L263-L287 HydrophobicContact CB-CD1 3.87Å; L263-Y289 PolarHBondContact N-O 2.88Å; L263-L290 WeakPolarHBondContact O-CA 3.33Å; L263-H291 PolarHBondContact O-N 3.07Å; L263-H291 VanDerWaalsContact O-N 3.07Å
264	S	97.1	Very high	93.1	Very high	13 Å²	13	40.9 Å²	40.9	9%	0.091	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.7	180	-54	0	0	0	0	111	I236 V237 L238 H291	I236-S264 PolarHBondContact O-N 3.1Å; V237-S264 CarbonylContact C-O 3.56Å; V237-S264 WeakPolarHBondContact CA-O 3.44Å; L238-S264 PolarHBondContact N-O 3.33Å; S264-H291 CarbonylContact C-O 3.47Å; S264-H291 WeakPolarHBondContact CA-O 3.38Å
265	F	97.4	Very high	93.1	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.013	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.3	175.9	-64.5	-86.5	0	0	0	110.1	L238 F252 L263 F268 F278 L290 H291 V292 E293	L238-F265 HydrophobicContact CB-CD1 4.06Å; L238-F265 HydrophobicContact CB-CE1 4.29Å; L238-F265 HydrophobicContact CD1-CD1 4.43Å; L238-F265 HydrophobicContact CD1-CE1 3.82Å; L238-F265 HydrophobicContact CD1-CZ 4.47Å; L238-F265 CarbonylContact O-C 3Å; L238-F265 WeakPolarHBondContact O-CA 3.26Å; F252-F265 HydrophobicContact CE1-CE1 4.03Å; F252-F265 AromaticContact CE1-CZ 3.9Å; F252-F265 HydrophobicContact CE1-CZ 3.9Å; F252-F265 AromaticContact CZ-CE1 3.84Å; F252-F265 HydrophobicContact CZ-CE1 3.84Å; F252-F265 HydrophobicContact CZ-CZ 4.02Å; L263-F265 HydrophobicContact CD1-CZ 4.43Å; L263-F265 HydrophobicContact CD2-CE2 3.69Å; L263-F265 HydrophobicContact CD2-CZ 3.69Å; L263-F265 HydrophobicContact CG-CD2 4.46Å; L263-F265 HydrophobicContact CG-CE2 3.69Å; L263-F265 HydrophobicContact CG-CZ 3.92Å; F265-F268 HydrophobicContact CB-CB 4.01Å; F265-F268 HydrophobicContact CB-CD1 4.36Å; F265-F268 HydrophobicContact CB-CG 4.09Å; F265-F268 AromaticContact CD1-CD2 3.8Å; F265-F268 HydrophobicContact CD1-CD2 3.8Å; F265-F268 AromaticContact CD1-CE2 3.79Å; F265-F268 HydrophobicContact CD1-CE2 3.79Å; F265-F268 HydrophobicContact CD1-CG 4.15Å; F265-F268 HydrophobicContact CD1-CZ 4.18Å; F265-F268 HydrophobicContact CE1-CD2 4.42Å; F265-F268 AromaticContact CE1-CE2 3.95Å; F265-F268 HydrophobicContact CE1-CE2 3.95Å; F265-F268 HydrophobicContact CE1-CZ 4.19Å; F265-F268 HydrophobicContact CG-CD1 4.45Å; F265-F268 HydrophobicContact CG-CD2 4.44Å; F265-F268 HydrophobicContact CG-CG 4.34Å; F265-F278 HydrophobicContact CE2-CE2 4.38Å; F265-F278 AromaticContact CE2-CZ 3.82Å; F265-F278 HydrophobicContact CE2-CZ 3.82Å; F265-F278 AromaticContact CZ-CE2 3.8Å; F265-F278 HydrophobicContact CZ-CE2 3.8Å; F265-F278 AromaticContact CZ-CZ 3.71Å; F265-F278 HydrophobicContact CZ-CZ 3.71Å; F265-L290 HydrophobicContact CD2-CD1 4.28Å; F265-L290 HydrophobicContact CE2-CD1 4.06Å; F265-H291 PolarHBondContact N-O 3.22Å; F265-V292 HydrophobicContact CB-CG1 4.38Å; F265-V292 HydrophobicContact CB-CG2 4.45Å; F265-V292 HydrophobicContact CD2-CG2 4.17Å; F265-V292 WeakPolarHBondContact O-CA 3.39Å; F265-E293 PolarHBondContact O-N 2.77Å
266	R	97.6	Very high	92.8	Very high	95 Å²	95	40.7 Å²	40.7	36%	0.358	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.1	173	-66.8	177.1	171.8	171	-1.7	110.8	V237 L238 E239 D240 E293	V237-R266 HydrophobicContact CG1-CG 4.28Å; L238-R266 PolarHBondContact O-N 3.03Å; E239-R266 CarbonylContact C-O 3.37Å; E239-R266 VanDerWaalsContact CA-O 3.28Å; E239-R266 WeakPolarHBondContact CA-O 3.14Å; E239-R266 HydrophobicContact CB-CB 4.38Å; E239-R266 HydrophobicContact CG-CB 4.06Å; E239-R266 VanDerWaalsContact OE1-CD 3.27Å; E239-R266 WeakPolarHBondContact OE1-CD 3.18Å; E239-R266 IonicContact OE1-CZ 2.92Å; E239-R266 IonicContact OE1-NH1 3.93Å; E239-R266 PolarHBondContact OE1-NH1 2.02Å; D240-R266 PolarHBondContact N-O 3.01Å; R266-E293 CarbonylContact C-O 3.15Å; R266-E293 VanDerWaalsContact CA-O 3.3Å; R266-E293 WeakPolarHBondContact CA-O 3.32Å; R266-E293 HydrophobicContact CG-CB 4.41Å
267	N	96.8	Very high	92.7	Very high	93 Å²	93	41.4 Å²	41.4	50%	0.497	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	50.1	61.8	-177.3	-169.8	24.3	0	0	0	111.3	D240 E293 D294	D240-N267 VanDerWaalsContact CA-O 3.3Å; D240-N267 WeakPolarHBondContact CA-O 3.4Å; D240-N267 PolarHBondContact N-O 3.35Å; D240-N267 WeakPolarHBondContact OD1-CB 3.01Å; D240-N267 PolarHBondContact OD1-ND2 2.89Å; N267-E293 PolarHBondContact N-O 2.76Å; N267-D294 CarbonylContact C-O 3.54Å; N267-D294 WeakPolarHBondContact CA-O 3.41Å; N267-D294 PolarHBondContact N-O 3.27Å
268	F	94.1	Very high	92.6	Very high	13 Å²	13	35 Å²	35	6%	0.057	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	140.4	-167.8	178.7	-119.1	0	0	0	110.9	L241 L243 F265 V270 D294 V295 T296	L241-F268 HydrophobicContact CB-CD2 3.88Å; L241-F268 HydrophobicContact CB-CE2 4.16Å; L241-F268 CarbonylContact O-C 3.5Å; L241-F268 WeakPolarHBondContact O-CA 3.4Å; L241-F268 WeakPolarHBondContact O-CD2 3.12Å; L243-F268 HydrophobicContact CD1-CE2 3.61Å; L243-F268 HydrophobicContact CD1-CZ 3.44Å; L243-F268 VanDerWaalsContact CD1-CZ 3.44Å; L243-F268 HydrophobicContact CD2-CE2 4.43Å; L243-F268 HydrophobicContact CG-CE2 3.53Å; L243-F268 HydrophobicContact CG-CZ 3.79Å; F265-F268 HydrophobicContact CB-CB 4.01Å; F265-F268 HydrophobicContact CB-CD1 4.36Å; F265-F268 HydrophobicContact CB-CG 4.09Å; F265-F268 AromaticContact CD1-CD2 3.8Å; F265-F268 HydrophobicContact CD1-CD2 3.8Å; F265-F268 AromaticContact CD1-CE2 3.79Å; F265-F268 HydrophobicContact CD1-CE2 3.79Å; F265-F268 HydrophobicContact CD1-CG 4.15Å; F265-F268 HydrophobicContact CD1-CZ 4.18Å; F265-F268 HydrophobicContact CE1-CD2 4.42Å; F265-F268 AromaticContact CE1-CE2 3.95Å; F265-F268 HydrophobicContact CE1-CE2 3.95Å; F265-F268 HydrophobicContact CE1-CZ 4.19Å; F265-F268 HydrophobicContact CG-CD1 4.45Å; F265-F268 HydrophobicContact CG-CD2 4.44Å; F265-F268 HydrophobicContact CG-CG 4.34Å; F268-V270 HydrophobicContact CD1-CB 4.28Å; F268-V270 HydrophobicContact CD1-CG1 4Å; F268-V270 HydrophobicContact CE1-CB 3.5Å; F268-V270 HydrophobicContact CE1-CG1 3.38Å; F268-V270 HydrophobicContact CE1-CG2 4.25Å; F268-V270 HydrophobicContact CZ-CB 3.71Å; F268-V270 HydrophobicContact CZ-CG1 4.1Å; F268-V270 HydrophobicContact CZ-CG2 4.16Å; F268-D294 PolarHBondContact N-O 3.05Å; F268-V295 HydrophobicContact CB-CG2 4.38Å; F268-V295 HydrophobicContact CD1-CG2 3.75Å; F268-V295 HydrophobicContact CG-CG2 4.49Å; F268-V295 CarbonylContact O-C 2.99Å; F268-V295 WeakPolarHBondContact O-CA 3.36Å; F268-V295 WeakPolarHBondContact O-CG2 3.49Å; F268-T296 PolarHBondContact O-N 3.26Å
269	S	95	Very high	92.3	Very high	24 Å²	24	31.6 Å²	31.6	17%	0.168	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.5	172.1	173.5	0	0	0	0	110.9	L241 H242 L243 T296	L241-S269 PolarHBondContact O-N 3.11Å; H242-S269 WeakPolarHBondContact CA-O 3.33Å; H242-S269 PolarHBondContact CE1-OG 3.38Å; H242-S269 VanDerWaalsContact ND1-CB 3.3Å; H242-S269 WeakPolarHBondContact ND1-CB 3.46Å; H242-S269 PolarHBondContact ND1-O 2.95Å; H242-S269 PolarHBondContact ND1-OG 3.49Å; L243-S269 PolarHBondContact N-O 2.91Å; S269-T296 WeakPolarHBondContact CA-O 3.47Å
270	V	93.8	Very high	92.1	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	144.8	-177.2	66.4	0	0	0	0	110.5	L243 F268 T274 L275 T296 L297 T298	L243-V270 HydrophobicContact CB-CG2 4.19Å; F268-V270 HydrophobicContact CD1-CB 4.28Å; F268-V270 HydrophobicContact CD1-CG1 4Å; F268-V270 HydrophobicContact CE1-CB 3.5Å; F268-V270 HydrophobicContact CE1-CG1 3.38Å; F268-V270 HydrophobicContact CE1-CG2 4.25Å; F268-V270 HydrophobicContact CZ-CB 3.71Å; F268-V270 HydrophobicContact CZ-CG1 4.1Å; F268-V270 HydrophobicContact CZ-CG2 4.16Å; V270-T274 HydrophobicContact CG2-CG2 3.97Å; V270-L275 HydrophobicContact CG2-CB 4.23Å; V270-T296 PolarHBondContact N-O 2.95Å; V270-T296 VanDerWaalsContact N-O 3.07Å; V270-L297 HydrophobicContact CG1-CD2 3.46Å; V270-L297 VanDerWaalsContact CG1-CD2 3.46Å; V270-L297 WeakPolarHBondContact O-CA 3.24Å; V270-T298 PolarHBondContact O-N 3.41Å
271	S	91.3	Very high	91.9	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.028	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	156.2	170.4	72	0	0	0	0	112.7	A273 T274 L275 T298 E300	S271-A273 VanDerWaalsContact C-N 3.27Å; S271-A273 PolarHBondContact O-N 2.91Å; S271-T274 PolarHBondContact O-N 3.25Å; S271-T274 VanDerWaalsContact O-N 3.1Å; S271-T274 PolarHBondContact OG-N 3.43Å; S271-T274 PolarHBondContact OG-OG1 3.48Å; S271-L275 PolarHBondContact O-N 2.95Å; S271-T298 VanDerWaalsContact CA-O 3.27Å; S271-T298 WeakPolarHBondContact CA-O 3.24Å; S271-T298 VanDerWaalsContact CA-OG1 3.29Å; S271-T298 WeakPolarHBondContact CA-OG1 3.34Å; S271-T298 VanDerWaalsContact CB-OG1 3.32Å; S271-T298 WeakPolarHBondContact CB-OG1 3.4Å; S271-E300 WeakPolarHBondContact CB-OE1 3.42Å; S271-E300 PolarHBondContact OG-OE1 3.38Å
272	D	87.1	Confident	91.6	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-55.5	-42.7	178	75.2	-23.4	0	0	0	111.2	L275 V276 T298 E300 G301 W303 F330	D272-L275 PolarHBondContact O-N 3.32Å; D272-V276 PolarHBondContact O-N 2.94Å; D272-T298 PolarHBondContact N-O 3.32Å; D272-E300 WeakPolarHBondContact OD1-CA 3.31Å; D272-E300 WeakPolarHBondContact OD1-CB 3.25Å; D272-E300 PolarHBondContact OD1-N 3.2Å; D272-E300 PolarHBondContact OD2-N 3.22Å; D272-G301 PolarHBondContact OD2-N 3.42Å; D272-W303 HydrophobicContact CB-CE3 3.61Å; D272-W303 HydrophobicContact CB-CZ3 4.04Å; D272-W303 WeakPolarHBondContact O-CZ3 3.45Å; D272-F330 HydrophobicContact CB-CD1 3.73Å; D272-F330 HydrophobicContact CB-CE1 3.43Å; D272-F330 VanDerWaalsContact CB-CE1 3.43Å; D272-F330 HydrophobicContact CB-CZ 4.14Å
273	A	85.6	Confident	91.3	Very high	20 Å²	20	26.2 Å²	26.2	17%	0.165	14%	0.138	C	C	.	.	H	α-helix	trans	-59.7	-47.5	172.6	0	0	0	0	0	113.2	S271 L275 V276 D277 R302	S271-A273 VanDerWaalsContact C-N 3.27Å; S271-A273 PolarHBondContact O-N 2.91Å; A273-L275 VanDerWaalsContact C-N 3.29Å; A273-L275 PolarHBondContact O-N 3.31Å; A273-V276 WeakPolarHBondContact O-CB 3.38Å; A273-V276 PolarHBondContact O-N 3.39Å; A273-D277 PolarHBondContact O-N 3.31Å; A273-R302 HydrophobicContact CB-CB 3.98Å
274	T	89.9	Confident	90.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-32	-177.2	-52	0	0	0	0	111.8	L243 G245 V249 V270 S271 V276 D277 F278	L243-T274 HydrophobicContact CB-CG2 3.7Å; G245-T274 WeakPolarHBondContact CA-OG1 3.44Å; G245-T274 PolarHBondContact N-OG1 2.95Å; V249-T274 HydrophobicContact CG2-CG2 3.58Å; V270-T274 HydrophobicContact CG2-CG2 3.97Å; S271-T274 PolarHBondContact O-N 3.25Å; S271-T274 VanDerWaalsContact O-N 3.1Å; S271-T274 PolarHBondContact OG-N 3.43Å; S271-T274 PolarHBondContact OG-OG1 3.48Å; T274-V276 VanDerWaalsContact C-N 3.32Å; T274-V276 PolarHBondContact O-N 3.47Å; T274-D277 WeakPolarHBondContact O-CB 3.49Å; T274-D277 PolarHBondContact O-N 2.93Å; T274-F278 WeakPolarHBondContact O-CB 3.21Å; T274-F278 PolarHBondContact O-N 3.21Å
275	L	88.9	Confident	90.4	Very high	47 Å²	47	28 Å²	28	25%	0.246	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-34.5	175.3	-175.5	59.4	0	0	0	111.8	V270 S271 D272 A273 F278 L279 W303	V270-L275 HydrophobicContact CG2-CB 4.23Å; S271-L275 PolarHBondContact O-N 2.95Å; D272-L275 PolarHBondContact O-N 3.32Å; A273-L275 VanDerWaalsContact C-N 3.29Å; A273-L275 PolarHBondContact O-N 3.31Å; L275-F278 HydrophobicContact CD1-CD1 4.02Å; L275-F278 WeakPolarHBondContact O-CB 3.16Å; L275-F278 PolarHBondContact O-N 3.29Å; L275-L279 VanDerWaalsContact O-CG 3.31Å; L275-L279 WeakPolarHBondContact O-CG 3.49Å; L275-L279 PolarHBondContact O-N 3.2Å; L275-W303 HydrophobicContact CB-CH2 3.95Å; L275-W303 HydrophobicContact CB-CZ3 3.83Å; L275-W303 HydrophobicContact CD2-CH2 3.56Å; L275-W303 HydrophobicContact CD2-CZ3 3.79Å; L275-W303 HydrophobicContact CG-CH2 3.69Å; L275-W303 HydrophobicContact CG-CZ3 4.04Å
276	V	85.3	Confident	90.2	Very high	12 Å²	12	28.9 Å²	28.9	7%	0.073	16%	0.164	C	C	.	.	H	α-helix	trans	-64.1	-44.8	172.4	179.2	0	0	0	0	110.8	D272 A273 T274 F278 L279 M280 W303	D272-V276 PolarHBondContact O-N 2.94Å; A273-V276 WeakPolarHBondContact O-CB 3.38Å; A273-V276 PolarHBondContact O-N 3.39Å; T274-V276 VanDerWaalsContact C-N 3.32Å; T274-V276 PolarHBondContact O-N 3.47Å; V276-F278 VanDerWaalsContact C-N 3.28Å; V276-F278 PolarHBondContact O-N 2.01Å; V276-L279 PolarHBondContact O-N 2.9Å; V276-M280 HydrophobicContact CG1-CE 4.22Å; V276-M280 WeakPolarHBondContact O-CG 3.26Å; V276-M280 PolarHBondContact O-N 3.29Å; V276-W303 HydrophobicContact CG2-CD2 3.62Å; V276-W303 HydrophobicContact CG2-CE3 3.79Å; V276-W303 HydrophobicContact CG2-CG 4.15Å; V276-W303 HydrophobicContact CG2-CH2 3.97Å; V276-W303 HydrophobicContact CG2-CZ2 3.68Å; V276-W303 HydrophobicContact CG2-CZ3 4.03Å
277	D	88.6	Confident	89.9	Confident	32 Å²	32	24.5 Å²	24.5	17%	0.171	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-41.5	174.7	-76.1	-36.8	0	0	0	111.7	N246 V249 A273 T274 M280 A281	N246-D277 WeakPolarHBondContact CA-OD2 3.42Å; N246-D277 VanDerWaalsContact CB-OD2 3.24Å; N246-D277 WeakPolarHBondContact CB-OD2 3.49Å; N246-D277 PolarHBondContact N-OD2 2.8Å; N246-D277 PolarHBondContact ND2-OD1 3.1Å; V249-D277 HydrophobicContact CB-CB 4.44Å; V249-D277 HydrophobicContact CG1-CB 4.36Å; V249-D277 HydrophobicContact CG2-CB 4.2Å; A273-D277 PolarHBondContact O-N 3.31Å; T274-D277 WeakPolarHBondContact O-CB 3.49Å; T274-D277 PolarHBondContact O-N 2.93Å; D277-M280 PolarHBondContact O-N 3.38Å; D277-M280 VanDerWaalsContact O-N 3.15Å; D277-M280 WeakPolarHBondContact OD1-CE 3.21Å; D277-A281 PolarHBondContact O-N 2.77Å
278	F	90.4	Very high	89.8	Confident	8 Å²	8	21.1 Å²	21.1	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.7	174.9	-98.2	0	0	0	112.1	V249 F252 L263 F265 T274 L275 V276 M280 A281 L282	V249-F278 VanDerWaalsContact CG1-CA 3.45Å; V249-F278 HydrophobicContact CG1-CB 4.11Å; V249-F278 HydrophobicContact CG2-CB 4.26Å; F252-F278 HydrophobicContact CB-CD2 4.48Å; F252-F278 HydrophobicContact CB-CE2 4.38Å; F252-F278 HydrophobicContact CD1-CD2 4.44Å; F252-F278 AromaticContact CD1-CE2 3.78Å; F252-F278 HydrophobicContact CD1-CE2 3.78Å; F252-F278 AromaticContact CD2-CD2 3.78Å; F252-F278 HydrophobicContact CD2-CD2 3.78Å; F252-F278 AromaticContact CD2-CE2 3.94Å; F252-F278 HydrophobicContact CD2-CE2 3.94Å; F252-F278 AromaticContact CE1-CE2 3.96Å; F252-F278 HydrophobicContact CE1-CE2 3.96Å; F252-F278 HydrophobicContact CE2-CD2 4.09Å; F252-F278 HydrophobicContact CE2-CE2 4.15Å; F252-F278 AromaticContact CG-CD2 3.99Å; F252-F278 HydrophobicContact CG-CD2 3.99Å; F252-F278 AromaticContact CG-CE2 3.77Å; F252-F278 HydrophobicContact CG-CE2 3.77Å; F252-F278 HydrophobicContact CZ-CE2 4.17Å; L263-F278 HydrophobicContact CD2-CE2 4.12Å; L263-F278 HydrophobicContact CD2-CZ 3.73Å; F265-F278 HydrophobicContact CE2-CE2 4.38Å; F265-F278 AromaticContact CE2-CZ 3.82Å; F265-F278 HydrophobicContact CE2-CZ 3.82Å; F265-F278 AromaticContact CZ-CE2 3.8Å; F265-F278 HydrophobicContact CZ-CE2 3.8Å; F265-F278 AromaticContact CZ-CZ 3.71Å; F265-F278 HydrophobicContact CZ-CZ 3.71Å; T274-F278 WeakPolarHBondContact O-CB 3.21Å; T274-F278 PolarHBondContact O-N 3.21Å; L275-F278 HydrophobicContact CD1-CD1 4.02Å; L275-F278 WeakPolarHBondContact O-CB 3.16Å; L275-F278 PolarHBondContact O-N 3.29Å; V276-F278 VanDerWaalsContact C-N 3.28Å; V276-F278 PolarHBondContact O-N 2.01Å; F278-M280 PolarHBondContact O-N 2.71Å; F278-A281 WeakPolarHBondContact O-CB 3.47Å; F278-A281 PolarHBondContact O-N 2.89Å; F278-A281 VanDerWaalsContact O-N 3.08Å; F278-L282 HydrophobicContact CD2-CD1 4.47Å; F278-L282 HydrophobicContact CE1-CD1 3.78Å; F278-L282 HydrophobicContact CE2-CD1 3.67Å; F278-L282 HydrophobicContact CE2-CG 4.28Å; F278-L282 HydrophobicContact CZ-CD1 3.28Å; F278-L282 HydrophobicContact CZ-CG 4.28Å; F278-L282 PolarHBondContact O-N 2.86Å; F278-L282 VanDerWaalsContact O-N 3.17Å
279	L	87.6	Confident	89.7	Confident	15 Å²	15	25.3 Å²	25.3	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-26.7	174.8	-69.1	172.9	0	0	0	112.6	L275 V276 W303 T309 Y311 L339	L275-L279 VanDerWaalsContact O-CG 3.31Å; L275-L279 WeakPolarHBondContact O-CG 3.49Å; L275-L279 PolarHBondContact O-N 3.2Å; V276-L279 PolarHBondContact O-N 2.9Å; L279-W303 HydrophobicContact CD1-CH2 4.47Å; L279-W303 HydrophobicContact CD1-CZ2 4.28Å; L279-T309 WeakPolarHBondContact O-CG2 3.26Å; L279-Y311 WeakPolarHBondContact CA-OH 3.23Å; L279-Y311 HydrophobicContact CB-CE2 4.26Å; L279-Y311 HydrophobicContact CD2-CE2 3.96Å; L279-Y311 WeakPolarHBondContact O-CE2 3.35Å; L279-Y311 PolarHBondContact O-OH 3.27Å; L279-L339 HydrophobicContact CD1-CD1 4.02Å; L279-L339 HydrophobicContact CD2-CD1 4.44Å
280	M	87.3	Confident	89.7	Confident	80 Å²	80	25.1 Å²	25.1	39%	0.394	14%	0.144	S	C	.	.	H	α-helix	trans	-77.9	-33.8	172.3	-68.8	-172.2	-67	0	0	112.3	V276 D277 F278 N283	V276-M280 HydrophobicContact CG1-CE 4.22Å; V276-M280 WeakPolarHBondContact O-CG 3.26Å; V276-M280 PolarHBondContact O-N 3.29Å; D277-M280 PolarHBondContact O-N 3.38Å; D277-M280 VanDerWaalsContact O-N 3.15Å; D277-M280 WeakPolarHBondContact OD1-CE 3.21Å; F278-M280 PolarHBondContact O-N 2.71Å; M280-N283 VanDerWaalsContact O-CB 3.3Å; M280-N283 WeakPolarHBondContact O-CB 3.49Å; M280-N283 PolarHBondContact O-N 3.21Å
281	A	89.9	Confident	89.8	Confident	10 Å²	10	27.3 Å²	27.3	8%	0.083	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-34.1	179.9	0	0	0	0	0	113.3	V249 F252 R253 D277 F278	V249-A281 HydrophobicContact CG1-CB 3.61Å; F252-A281 HydrophobicContact CB-CB 4.49Å; R253-A281 HydrophobicContact CG-CB 3.75Å; D277-A281 PolarHBondContact O-N 2.77Å; F278-A281 WeakPolarHBondContact O-CB 3.47Å; F278-A281 PolarHBondContact O-N 2.89Å; F278-A281 VanDerWaalsContact O-N 3.08Å
282	L	89.3	Confident	90	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	15.9	178.4	-59.9	-176.2	0	0	0	113.6	F252 A256 L263 F278 G284 D285 L287 Y311	F252-L282 HydrophobicContact CB-CD2 4.07Å; A256-L282 HydrophobicContact CB-CD2 3.91Å; L263-L282 HydrophobicContact CD2-CD1 3.98Å; F278-L282 HydrophobicContact CD2-CD1 4.47Å; F278-L282 HydrophobicContact CE1-CD1 3.78Å; F278-L282 HydrophobicContact CE2-CD1 3.67Å; F278-L282 HydrophobicContact CE2-CG 4.28Å; F278-L282 HydrophobicContact CZ-CD1 3.28Å; F278-L282 HydrophobicContact CZ-CG 4.28Å; F278-L282 PolarHBondContact O-N 2.86Å; F278-L282 VanDerWaalsContact O-N 3.17Å; L282-G284 PolarHBondContact O-N 2.84Å; L282-D285 WeakPolarHBondContact O-CB 3.3Å; L282-D285 PolarHBondContact O-N 2.97Å; L282-L287 HydrophobicContact CD1-CD2 4.35Å; L282-Y311 HydrophobicContact CB-CE1 4.32Å; L282-Y311 WeakPolarHBondContact CB-OH 2.84Å
283	N	88.8	Confident	90.5	Very high	75 Å²	75	29.2 Å²	29.2	40%	0.401	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	125.7	-177.9	-178.2	15.2	0	0	0	112.6	M280 D285 K308 T309 D310	M280-N283 VanDerWaalsContact O-CB 3.3Å; M280-N283 WeakPolarHBondContact O-CB 3.49Å; M280-N283 PolarHBondContact O-N 3.21Å; N283-D285 PolarHBondContact O-N 3.19Å; N283-K308 PolarHBondContact ND2-O 2.82Å; N283-T309 HydrophobicContact CB-CG2 4.19Å; N283-T309 WeakPolarHBondContact OD1-CA 3.46Å; N283-D310 PolarHBondContact OD1-N 3.23Å
284	G	86.1	Confident	91.1	Very high	48 Å²	48	31.5 Å²	31.5	50%	0.495	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	1.4	177.9	0	0	0	0	0	114.1	L282 D310	L282-G284 PolarHBondContact O-N 2.84Å; G284-D310 PolarHBondContact N-O 3.1Å
285	D	88.4	Confident	91.4	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.027	17%	0.174	C	C	.	.			trans	-70.4	141.7	174.7	-158.1	40.8	0	0	0	110.2	A256 R259 I260 L282 N283 L287	A256-D285 HydrophobicContact CB-CB 4.46Å; A256-D285 VanDerWaalsContact O-OD1 3.1Å; R259-D285 WeakPolarHBondContact CA-OD1 3.49Å; I260-D285 WeakPolarHBondContact CG1-OD2 3.3Å; I260-D285 PolarHBondContact N-OD1 2.88Å; L282-D285 WeakPolarHBondContact O-CB 3.3Å; L282-D285 PolarHBondContact O-N 2.97Å; N283-D285 PolarHBondContact O-N 3.19Å; D285-L287 PolarHBondContact O-N 3.21Å
286	P	92.8	Very high	91.7	Very high	22 Å²	22	31.8 Å²	31.8	14%	0.143	18%	0.177	C	C	.	.			trans	-79.7	41.8	179.8	36.3	-33.4	0	0	0	112	R259 I260 S288	R259-P286 HydrophobicContact CB-CG 3.9Å; I260-P286 CarbonylContact O-C 3.45Å; P286-S288 PolarHBondContact O-N 2.93Å
287	L	91.9	Very high	92.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.183	C	C	.	.			trans	-65.5	116.2	179	-171.6	73.9	0	0	0	109.2	I260 L263 L282 D285 L290 S313 I314	I260-L287 HydrophobicContact CD1-CD1 4.44Å; I260-L287 HydrophobicContact CG1-CD1 4.46Å; I260-L287 PolarHBondContact O-N 3.18Å; L263-L287 HydrophobicContact CB-CD1 3.87Å; L282-L287 HydrophobicContact CD1-CD2 4.35Å; D285-L287 PolarHBondContact O-N 3.21Å; L287-L290 HydrophobicContact CD2-CB 4.36Å; L287-S313 CarbonylContact O-C 3.36Å; L287-I314 VanDerWaalsContact O-CA 3.3Å; L287-I314 WeakPolarHBondContact O-CA 3.47Å; L287-I314 WeakPolarHBondContact O-CG1 3.46Å; L287-I314 PolarHBondContact O-N 2.84Å; L287-I314 VanDerWaalsContact O-N 3.12Å
288	S	93.2	Very high	92.2	Very high	22 Å²	22	33.3 Å²	33.3	15%	0.154	19%	0.186	C	C	.	.			trans	-102.9	-27.5	178.8	59.7	0	0	0	0	113.3	R261 P286 S313 D315 E316	R261-S288 PolarHBondContact O-N 3.34Å; R261-S288 PolarHBondContact O-OG 2.83Å; R261-S288 VanDerWaalsContact O-OG 3.13Å; P286-S288 PolarHBondContact O-N 2.93Å; S288-S313 VanDerWaalsContact CA-O 3.28Å; S288-S313 WeakPolarHBondContact CA-O 3.45Å; S288-D315 PolarHBondContact O-N 3.31Å; S288-E316 PolarHBondContact O-N 3.5Å; S288-E316 VanDerWaalsContact O-N 3.11Å
289	Y	93.4	Very high	92.2	Very high	101 Å²	101	33 Å²	33	40%	0.396	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.5	-178.2	-59.6	-80.8	0	0	0	110.8	R261 L263 E316	R261-Y289 PolarHBondContact O-N 3.27Å; L263-Y289 PolarHBondContact N-O 2.88Å; Y289-E316 HydrophobicContact CD1-CB 3.8Å; Y289-E316 HydrophobicContact CD1-CG 4.41Å; Y289-E316 HydrophobicContact CE1-CB 4.09Å
290	L	93.4	Very high	92.1	Very high	21 Å²	21	36.8 Å²	36.8	11%	0.11	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	111	169.4	-179.4	61.1	0	0	0	109.3	L263 F265 L287 V292 E316 F317 F318	L263-L290 WeakPolarHBondContact O-CA 3.33Å; F265-L290 HydrophobicContact CD2-CD1 4.28Å; F265-L290 HydrophobicContact CE2-CD1 4.06Å; L287-L290 HydrophobicContact CD2-CB 4.36Å; L290-V292 HydrophobicContact CD1-CG2 4.43Å; L290-V292 HydrophobicContact CG-CG2 4.45Å; L290-E316 PolarHBondContact N-O 3.41Å; L290-E316 VanDerWaalsContact N-O 3.13Å; L290-F317 HydrophobicContact CD2-CD2 4.05Å; L290-F317 HydrophobicContact CD2-CE2 3.92Å; L290-F317 HydrophobicContact CG-CD2 4.42Å; L290-F317 HydrophobicContact CG-CE2 4.46Å; L290-F318 PolarHBondContact O-N 2.88Å
291	H	95.9	Very high	91.7	Very high	47 Å²	47	34.5 Å²	34.5	22%	0.218	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.3	-176.9	-177.6	-152.6	0	0	0	110.4	L263 S264 F265 F318	L263-H291 PolarHBondContact O-N 3.07Å; L263-H291 VanDerWaalsContact O-N 3.07Å; S264-H291 CarbonylContact C-O 3.47Å; S264-H291 WeakPolarHBondContact CA-O 3.38Å; F265-H291 PolarHBondContact N-O 3.22Å; H291-F318 AromaticContact CD2-CD1 3.01Å; H291-F318 WeakPolarHBondContact CD2-CD1 3.11Å; H291-F318 AromaticContact CD2-CE1 3.61Å; H291-F318 AromaticContact CD2-CG 3.49Å; H291-F318 VanDerWaalsContact CD2-CG 3.49Å; H291-F318 WeakPolarHBondContact CD2-CG 3.4Å; H291-F318 AromaticContact NE2-CD1 3.11Å; H291-F318 WeakPolarHBondContact NE2-CD1 3.3Å; H291-F318 AromaticContact NE2-CE1 3.13Å; H291-F318 WeakPolarHBondContact NE2-CE1 3.41Å; H291-F318 AromaticContact NE2-CG 3.83Å; H291-F318 AromaticContact NE2-CZ 3.97Å
292	V	97	Very high	90.9	Very high	15 Å²	15	42.3 Å²	42.3	9%	0.091	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.7	-179.1	-175.3	0	0	0	0	109.5	F265 L290 V295 F318 L319 R320	F265-V292 HydrophobicContact CB-CG1 4.38Å; F265-V292 HydrophobicContact CB-CG2 4.45Å; F265-V292 HydrophobicContact CD2-CG2 4.17Å; F265-V292 WeakPolarHBondContact O-CA 3.39Å; L290-V292 HydrophobicContact CD1-CG2 4.43Å; L290-V292 HydrophobicContact CG-CG2 4.45Å; V292-V295 HydrophobicContact CG1-CB 3.6Å; V292-V295 HydrophobicContact CG1-CG1 3.79Å; V292-V295 HydrophobicContact CG1-CG2 4.1Å; V292-F318 PolarHBondContact N-O 2.85Å; V292-L319 HydrophobicContact CB-CD1 3.83Å; V292-L319 HydrophobicContact CG1-CD1 3.85Å; V292-L319 CarbonylContact O-C 3.55Å; V292-L319 VanDerWaalsContact O-CA 3.3Å; V292-L319 WeakPolarHBondContact O-CA 3.23Å; V292-R320 PolarHBondContact O-N 2.83Å
293	E	97.4	Very high	90	Very high	31 Å²	31	42.7 Å²	42.7	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.8	178.1	-171.6	167.9	-147.5	0	0	110.1	F265 R266 N267 R320	F265-E293 PolarHBondContact O-N 2.77Å; R266-E293 CarbonylContact C-O 3.15Å; R266-E293 VanDerWaalsContact CA-O 3.3Å; R266-E293 WeakPolarHBondContact CA-O 3.32Å; R266-E293 HydrophobicContact CG-CB 4.41Å; N267-E293 PolarHBondContact N-O 2.76Å; E293-R320 WeakPolarHBondContact CA-O 3.44Å; E293-R320 HydrophobicContact CG-CB 4.35Å; E293-R320 IonicContact OE1-CZ 3.11Å; E293-R320 IonicContact OE1-NE 2.73Å; E293-R320 IonicContact OE1-NH1 3.19Å; E293-R320 PolarHBondContact OE1-NH1 2.99Å
294	D	97.6	Very high	88.9	Confident	68 Å²	68	46.3 Å²	46.3	36%	0.364	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.7	62.6	-179.7	-54.7	-47	0	0	0	112.1	N267 F268 R320 N321	N267-D294 CarbonylContact C-O 3.54Å; N267-D294 WeakPolarHBondContact CA-O 3.41Å; N267-D294 PolarHBondContact N-O 3.27Å; F268-D294 PolarHBondContact N-O 3.05Å; D294-R320 PolarHBondContact N-O 3.18Å; D294-N321 WeakPolarHBondContact CA-O 3.49Å; D294-N321 WeakPolarHBondContact OD1-CB 3.47Å; D294-N321 PolarHBondContact OD1-ND2 2.98Å
295	V	96.4	Very high	87.7	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.4	-178.2	64.3	0	0	0	0	113.3	F268 V292 L297 L319 N321 A322 V323	F268-V295 HydrophobicContact CB-CG2 4.38Å; F268-V295 HydrophobicContact CD1-CG2 3.75Å; F268-V295 HydrophobicContact CG-CG2 4.49Å; F268-V295 CarbonylContact O-C 2.99Å; F268-V295 WeakPolarHBondContact O-CA 3.36Å; F268-V295 WeakPolarHBondContact O-CG2 3.49Å; V292-V295 HydrophobicContact CG1-CB 3.6Å; V292-V295 HydrophobicContact CG1-CG1 3.79Å; V292-V295 HydrophobicContact CG1-CG2 4.1Å; V295-L297 HydrophobicContact CG1-CG 4.38Å; V295-L297 HydrophobicContact CG2-CD2 3.75Å; V295-L297 HydrophobicContact CG2-CG 4.03Å; V295-L319 HydrophobicContact CG1-CD1 3.48Å; V295-L319 VanDerWaalsContact CG1-CD1 3.48Å; V295-N321 PolarHBondContact N-O 2.94Å; V295-A322 HydrophobicContact CG1-CB 3.55Å; V295-A322 CarbonylContact O-C 3.11Å; V295-A322 WeakPolarHBondContact O-CA 3.43Å; V295-V323 PolarHBondContact O-N 3.25Å
296	T	95.8	Very high	86.4	Confident	50 Å²	50	50.6 Å²	50.6	31%	0.307	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.9	165.5	-56.7	0	0	0	0	109.9	F268 S269 V270 T298 V323 V325	F268-T296 PolarHBondContact O-N 3.26Å; S269-T296 WeakPolarHBondContact CA-O 3.47Å; V270-T296 PolarHBondContact N-O 2.95Å; V270-T296 VanDerWaalsContact N-O 3.07Å; T296-T298 HydrophobicContact CG2-CG2 4.3Å; T296-V323 CarbonylContact C-O 3.6Å; T296-V323 WeakPolarHBondContact CA-O 3.28Å; T296-V325 HydrophobicContact CG2-CG2 3.84Å
297	L	92.5	Very high	84.8	Confident	37 Å²	37	56.4 Å²	56.4	19%	0.194	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.8	176.2	-63.1	176.5	0	0	0	109.6	V270 V295 V323 V324 V325 F330	V270-L297 HydrophobicContact CG1-CD2 3.46Å; V270-L297 VanDerWaalsContact CG1-CD2 3.46Å; V270-L297 WeakPolarHBondContact O-CA 3.24Å; V295-L297 HydrophobicContact CG1-CG 4.38Å; V295-L297 HydrophobicContact CG2-CD2 3.75Å; V295-L297 HydrophobicContact CG2-CG 4.03Å; L297-V323 PolarHBondContact N-O 3.13Å; L297-V324 HydrophobicContact CB-CG2 4.46Å; L297-V324 HydrophobicContact CD1-CG2 4.41Å; L297-V324 CarbonylContact O-C 3.51Å; L297-V324 WeakPolarHBondContact O-CA 3.25Å; L297-V325 PolarHBondContact O-N 2.89Å; L297-F330 HydrophobicContact CB-CZ 4.19Å
298	T	92	Very high	83.3	Confident	39 Å²	39	65.1 Å²	65.1	24%	0.239	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.9	179.5	57.4	0	0	0	0	111.4	V270 S271 D272 T296 V325	V270-T298 PolarHBondContact O-N 3.41Å; S271-T298 VanDerWaalsContact CA-O 3.27Å; S271-T298 WeakPolarHBondContact CA-O 3.24Å; S271-T298 VanDerWaalsContact CA-OG1 3.29Å; S271-T298 WeakPolarHBondContact CA-OG1 3.34Å; S271-T298 VanDerWaalsContact CB-OG1 3.32Å; S271-T298 WeakPolarHBondContact CB-OG1 3.4Å; D272-T298 PolarHBondContact N-O 3.32Å; T296-T298 HydrophobicContact CG2-CG2 4.3Å; T298-V325 HydrophobicContact CG2-CB 4.21Å
299	G	88.8	Confident	82.2	Confident	3 Å²	3	65 Å²	65	3%	0.031	32%	0.315	C	S	.	.			trans	-79.6	124.6	176.3	0	0	0	0	0	112.4	V325 K329	G299-V325 PolarHBondContact N-O 2.78Å; G299-K329 WeakPolarHBondContact O-CD 3.38Å
300	E	87.3	Confident	81.6	Confident	93 Å²	93	63.3 Å²	63.3	44%	0.435	31%	0.313	S	S	.	.			trans	-110	-12.9	168.6	-63.4	178.9	-156.6	0	0	112.1	S271 D272 R302	S271-E300 WeakPolarHBondContact CB-OE1 3.42Å; S271-E300 PolarHBondContact OG-OE1 3.38Å; D272-E300 WeakPolarHBondContact OD1-CA 3.31Å; D272-E300 WeakPolarHBondContact OD1-CB 3.25Å; D272-E300 PolarHBondContact OD1-N 3.2Å; D272-E300 PolarHBondContact OD2-N 3.22Å; E300-R302 VanDerWaalsContact C-N 3.31Å
301	G	78.8	Confident	81.1	Confident	33 Å²	33	62.6 Å²	62.6	34%	0.34	31%	0.309	S	S	.	.	S	Bend	trans	74.8	22.6	-179.8	0	0	0	0	0	114.3	D272 K329	D272-G301 PolarHBondContact OD2-N 3.42Å; G301-K329 WeakPolarHBondContact CA-O 3.35Å; G301-K329 PolarHBondContact N-O 3.41Å
302	R	71.6	Confident	80.7	Confident	173 Å²	173	66 Å²	66	65%	0.653	32%	0.323	S	S	*	.			trans	-110.9	33.6	176.6	-63	-179.6	176.9	-172.7	-0.2	111.5	A273 E300 E304	A273-R302 HydrophobicContact CB-CB 3.98Å; E300-R302 VanDerWaalsContact C-N 3.31Å; R302-E304 VanDerWaalsContact C-N 3.33Å; R302-E304 PolarHBondContact O-N 3.43Å
303	W	70.4	Confident	80.4	Confident	9 Å²	9	67.9 Å²	67.9	3%	0.034	34%	0.337	C	S	.	.			trans	-76.6	87.4	173.6	-163.6	-77.6	0	0	0	109.9	D272 L275 V276 L279 V331 F333 L336	D272-W303 HydrophobicContact CB-CE3 3.61Å; D272-W303 HydrophobicContact CB-CZ3 4.04Å; D272-W303 WeakPolarHBondContact O-CZ3 3.45Å; L275-W303 HydrophobicContact CB-CH2 3.95Å; L275-W303 HydrophobicContact CB-CZ3 3.83Å; L275-W303 HydrophobicContact CD2-CH2 3.56Å; L275-W303 HydrophobicContact CD2-CZ3 3.79Å; L275-W303 HydrophobicContact CG-CH2 3.69Å; L275-W303 HydrophobicContact CG-CZ3 4.04Å; V276-W303 HydrophobicContact CG2-CD2 3.62Å; V276-W303 HydrophobicContact CG2-CE3 3.79Å; V276-W303 HydrophobicContact CG2-CG 4.15Å; V276-W303 HydrophobicContact CG2-CH2 3.97Å; V276-W303 HydrophobicContact CG2-CZ2 3.68Å; V276-W303 HydrophobicContact CG2-CZ3 4.03Å; L279-W303 HydrophobicContact CD1-CH2 4.47Å; L279-W303 HydrophobicContact CD1-CZ2 4.28Å; W303-V331 HydrophobicContact CB-CB 4.02Å; W303-V331 HydrophobicContact CB-CG2 3.94Å; W303-F333 HydrophobicContact CE3-CE1 4.47Å; W303-F333 HydrophobicContact CH2-CE1 4.43Å; W303-F333 HydrophobicContact CZ3-CE1 4.36Å; W303-L336 HydrophobicContact CH2-CD1 4.02Å; W303-L336 HydrophobicContact CZ2-CD1 3.12Å; W303-L336 HydrophobicContact CZ2-CD2 3.76Å; W303-L336 HydrophobicContact CZ2-CG 3.86Å
304	E	66.8	Low	80	Confident	150 Å²	150	67 Å²	67	70%	0.701	33%	0.333	S	S	*	.			trans	-84.8	153	173.3	-66.1	-173.2	-179.5	0	0	111.3	R302 A306	R302-E304 VanDerWaalsContact C-N 3.33Å; R302-E304 PolarHBondContact O-N 3.43Å; E304-A306 PolarHBondContact O-N 2.76Å; E304-A306 VanDerWaalsContact O-N 3.1Å
305	K	59.2	Low	79.8	Confident	138 Å²	138	64.7 Å²	64.7	60%	0.6	32%	0.321	S	S	*	.			trans	-60.9	115.5	177.5	-171.3	177.5	178.4	-179.7	0	110	N307	K305-N307 PolarHBondContact O-N 3.1Å
306	A	62.8	Low	79.8	Confident	6 Å²	6	66.5 Å²	66.5	5%	0.05	33%	0.329	C	S	.	.			trans	-55	117.5	167	0	0	0	0	0	109.1	E304 K308 T309 F338	E304-A306 PolarHBondContact O-N 2.76Å; E304-A306 VanDerWaalsContact O-N 3.1Å; A306-K308 PolarHBondContact O-N 2.79Å; A306-K308 VanDerWaalsContact O-N 3.15Å; A306-T309 HydrophobicContact CB-CG2 4.13Å; A306-F338 HydrophobicContact CB-CZ 4.24Å
307	N	58	Low	79.7	Confident	143 Å²	143	67.3 Å²	67.3	77%	0.765	33%	0.328	S	S	*	.	S	Bend	trans	-72.9	-15.6	-158.6	-147.7	0.8	0	0	0	113.8	K305	K305-N307 PolarHBondContact O-N 3.1Å
308	K	60.5	Low	79.9	Confident	186 Å²	186	67.7 Å²	67.7	81%	0.809	33%	0.329	S	S	*	.			trans	173.2	106.7	169	-100	154.2	-176.1	-178.9	0	108.6	N283 A306	N283-K308 PolarHBondContact ND2-O 2.82Å; A306-K308 PolarHBondContact O-N 2.79Å; A306-K308 VanDerWaalsContact O-N 3.15Å
309	T	70.4	Confident	80.2	Confident	20 Å²	20	66.9 Å²	66.9	12%	0.123	32%	0.323	C	S	.	.			trans	-121.9	129.5	174.1	50	0	0	0	0	111	L279 N283 A306 Y311 F338	L279-T309 WeakPolarHBondContact O-CG2 3.26Å; N283-T309 HydrophobicContact CB-CG2 4.19Å; N283-T309 WeakPolarHBondContact OD1-CA 3.46Å; A306-T309 HydrophobicContact CB-CG2 4.13Å; T309-Y311 VanDerWaalsContact CB-CE2 3.43Å; T309-Y311 HydrophobicContact CG2-CE2 4.03Å; T309-F338 WeakPolarHBondContact OG1-CE2 3.36Å; T309-F338 WeakPolarHBondContact OG1-CZ 3.14Å
310	D	80.3	Confident	80.6	Confident	65 Å²	65	71.7 Å²	71.7	35%	0.348	34%	0.34	S	S	.	.			trans	-94.3	106.7	176.3	-164.7	-15	0	0	0	110.3	N283 G284 K312	N283-D310 PolarHBondContact OD1-N 3.23Å; G284-D310 PolarHBondContact N-O 3.1Å; D310-K312 WeakPolarHBondContact OD1-CB 3.07Å; D310-K312 WeakPolarHBondContact OD1-CD 3.32Å; D310-K312 WeakPolarHBondContact OD1-CE 3.36Å; D310-K312 WeakPolarHBondContact OD1-CG 3.28Å; D310-K312 PolarHBondContact OD1-N 3.44Å; D310-K312 IonicContact OD1-NZ 3.56Å; D310-K312 IonicContact OD2-NZ 2.81Å; D310-K312 PolarHBondContact OD2-NZ 2.99Å
311	Y	83.9	Confident	81.1	Confident	5 Å²	5	69.2 Å²	69.2	2%	0.02	33%	0.33	C	S	.	.			trans	-122.3	28.9	179	-76.3	-67.4	0	0	0	112.2	L279 L282 T309 S313 I314 F338 L339	L279-Y311 WeakPolarHBondContact CA-OH 3.23Å; L279-Y311 HydrophobicContact CB-CE2 4.26Å; L279-Y311 HydrophobicContact CD2-CE2 3.96Å; L279-Y311 WeakPolarHBondContact O-CE2 3.35Å; L279-Y311 PolarHBondContact O-OH 3.27Å; L282-Y311 HydrophobicContact CB-CE1 4.32Å; L282-Y311 WeakPolarHBondContact CB-OH 2.84Å; T309-Y311 VanDerWaalsContact CB-CE2 3.43Å; T309-Y311 HydrophobicContact CG2-CE2 4.03Å; Y311-S313 PolarHBondContact O-N 3.23Å; Y311-S313 VanDerWaalsContact O-N 3.09Å; Y311-I314 HydrophobicContact CD1-CD1 3.5Å; Y311-I314 HydrophobicContact CD1-CG1 3.99Å; Y311-I314 HydrophobicContact CE1-CD1 4.33Å; Y311-I314 HydrophobicContact CG-CD1 3.86Å; Y311-I314 HydrophobicContact CG-CG1 4.47Å; Y311-I314 PolarHBondContact O-N 3.36Å; Y311-I314 VanDerWaalsContact O-N 3.11Å; Y311-F338 HydrophobicContact CD2-CE2 4.23Å; Y311-L339 HydrophobicContact CD2-CD2 3.45Å; Y311-L339 VanDerWaalsContact CD2-CD2 3.45Å; Y311-L339 HydrophobicContact CE2-CD2 4.19Å; Y311-L339 HydrophobicContact CG-CD2 3.83Å
312	K	86.6	Confident	81.9	Confident	118 Å²	118	68.1 Å²	68.1	51%	0.513	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.6	179.1	-73.9	165.5	-164.1	144.7	0	114.2	D310 I314 Y342	D310-K312 WeakPolarHBondContact OD1-CB 3.07Å; D310-K312 WeakPolarHBondContact OD1-CD 3.32Å; D310-K312 WeakPolarHBondContact OD1-CE 3.36Å; D310-K312 WeakPolarHBondContact OD1-CG 3.28Å; D310-K312 PolarHBondContact OD1-N 3.44Å; D310-K312 IonicContact OD1-NZ 3.56Å; D310-K312 IonicContact OD2-NZ 2.81Å; D310-K312 PolarHBondContact OD2-NZ 2.99Å; K312-I314 VanDerWaalsContact C-N 3.34Å; K312-Y342 HydrophobicContact CB-CD1 4.25Å; K312-Y342 HydrophobicContact CB-CE1 4.19Å; K312-Y342 HydrophobicContact CG-CD1 4.06Å; K312-Y342 HydrophobicContact CG-CD2 4.36Å; K312-Y342 HydrophobicContact CG-CE1 3.51Å; K312-Y342 HydrophobicContact CG-CE2 3.81Å; K312-Y342 HydrophobicContact CG-CG 4.47Å
313	S	90.6	Very high	83	Confident	55 Å²	55	63.9 Å²	63.9	39%	0.385	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.6	-177.5	-52.5	0	0	0	0	112.9	L287 S288 Y311 D315	L287-S313 CarbonylContact O-C 3.36Å; S288-S313 VanDerWaalsContact CA-O 3.28Å; S288-S313 WeakPolarHBondContact CA-O 3.45Å; Y311-S313 PolarHBondContact O-N 3.23Å; Y311-S313 VanDerWaalsContact O-N 3.09Å; S313-D315 PolarHBondContact O-N 2.85Å; S313-D315 VanDerWaalsContact O-N 3.15Å
314	I	89.9	Confident	84.1	Confident	13 Å²	13	66.3 Å²	66.3	7%	0.067	33%	0.326	C	S	.	.			trans	-63.5	118.6	-178.5	-65.6	-175.2	0	0	0	108.8	L287 Y311 K312	L287-I314 VanDerWaalsContact O-CA 3.3Å; L287-I314 WeakPolarHBondContact O-CA 3.47Å; L287-I314 WeakPolarHBondContact O-CG1 3.46Å; L287-I314 PolarHBondContact O-N 2.84Å; L287-I314 VanDerWaalsContact O-N 3.12Å; Y311-I314 HydrophobicContact CD1-CD1 3.5Å; Y311-I314 HydrophobicContact CD1-CG1 3.99Å; Y311-I314 HydrophobicContact CE1-CD1 4.33Å; Y311-I314 HydrophobicContact CG-CD1 3.86Å; Y311-I314 HydrophobicContact CG-CG1 4.47Å; Y311-I314 PolarHBondContact O-N 3.36Å; Y311-I314 VanDerWaalsContact O-N 3.11Å; K312-I314 VanDerWaalsContact C-N 3.34Å
315	D	94.2	Very high	85.3	Confident	20 Å²	20	62 Å²	62	11%	0.107	31%	0.31	C	S	.	.			trans	-105.1	-42	-179.5	-171.6	35.6	0	0	0	111.7	S288 S313 P343 R344 K345	S288-D315 PolarHBondContact O-N 3.31Å; S313-D315 PolarHBondContact O-N 2.85Å; S313-D315 VanDerWaalsContact O-N 3.15Å; D315-P343 CarbonylContact O-C 3.55Å; D315-P343 WeakPolarHBondContact O-CA 3.15Å; D315-R344 PolarHBondContact O-N 3.29Å; D315-R344 WeakPolarHBondContact OD1-CB 3.27Å; D315-R344 WeakPolarHBondContact OD1-CG 3.14Å; D315-R344 IonicContact OD1-CZ 2.63Å; D315-R344 VanDerWaalsContact OD1-CZ 3.22Å; D315-R344 IonicContact OD1-NE 3.27Å; D315-R344 PolarHBondContact OD1-NE 2.95Å; D315-R344 IonicContact OD1-NH2 3.52Å; D315-R344 PolarHBondContact OD1-NH2 2.77Å; D315-R344 IonicContact OD2-CZ 2.63Å; D315-R344 IonicContact OD2-NE 3.22Å; D315-R344 IonicContact OD2-NH2 3.91Å; D315-R344 PolarHBondContact OD2-NH2 3.04Å; D315-K345 PolarHBondContact O-N 2.76Å
316	E	95.5	Very high	86.7	Confident	41 Å²	41	58 Å²	58	19%	0.192	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.3	-172.4	-176.8	160.6	175.5	0	0	110.8	S288 Y289 L290 K345	S288-E316 PolarHBondContact O-N 3.5Å; S288-E316 VanDerWaalsContact O-N 3.11Å; Y289-E316 HydrophobicContact CD1-CB 3.8Å; Y289-E316 HydrophobicContact CD1-CG 4.41Å; Y289-E316 HydrophobicContact CE1-CB 4.09Å; L290-E316 PolarHBondContact N-O 3.41Å; L290-E316 VanDerWaalsContact N-O 3.13Å; E316-K345 WeakPolarHBondContact CA-O 3.01Å; E316-K345 HydrophobicContact CB-CB 4.25Å; E316-K345 HydrophobicContact CG-CB 3.99Å; E316-K345 HydrophobicContact CG-CD 4.44Å; E316-K345 WeakPolarHBondContact OE2-CD 3.26Å; E316-K345 IonicContact OE2-NZ 2.65Å; E316-K345 PolarHBondContact OE2-NZ 3.26Å
317	F	94.2	Very high	87.9	Confident	67 Å²	67	63 Å²	63	29%	0.294	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.4	169.4	-175.5	-97.3	0	0	0	108.8	L290 L319 K345 V346 S347	L290-F317 HydrophobicContact CD2-CD2 4.05Å; L290-F317 HydrophobicContact CD2-CE2 3.92Å; L290-F317 HydrophobicContact CG-CD2 4.42Å; L290-F317 HydrophobicContact CG-CE2 4.46Å; F317-L319 HydrophobicContact CE1-CB 3.81Å; F317-L319 HydrophobicContact CE1-CD2 4.39Å; F317-L319 HydrophobicContact CZ-CB 4.31Å; F317-K345 PolarHBondContact N-O 2.97Å; F317-V346 CarbonylContact O-C 3.52Å; F317-V346 WeakPolarHBondContact O-CA 3.1Å; F317-S347 PolarHBondContact O-N 3.04Å
318	F	96.9	Very high	89.2	Confident	45 Å²	45	64.2 Å²	64.2	20%	0.197	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126	177.2	-174.3	-68.9	0	0	0	109.8	L290 H291 V292 R320 I349	L290-F318 PolarHBondContact O-N 2.88Å; H291-F318 AromaticContact CD2-CD1 3.01Å; H291-F318 WeakPolarHBondContact CD2-CD1 3.11Å; H291-F318 AromaticContact CD2-CE1 3.61Å; H291-F318 AromaticContact CD2-CG 3.49Å; H291-F318 VanDerWaalsContact CD2-CG 3.49Å; H291-F318 WeakPolarHBondContact CD2-CG 3.4Å; H291-F318 AromaticContact NE2-CD1 3.11Å; H291-F318 WeakPolarHBondContact NE2-CD1 3.3Å; H291-F318 AromaticContact NE2-CE1 3.13Å; H291-F318 WeakPolarHBondContact NE2-CE1 3.41Å; H291-F318 AromaticContact NE2-CG 3.83Å; H291-F318 AromaticContact NE2-CZ 3.97Å; V292-F318 PolarHBondContact N-O 2.85Å; F318-R320 HydrophobicContact CD1-CB 4.27Å; F318-R320 HydrophobicContact CE1-CB 3.51Å; F318-R320 HydrophobicContact CE1-CG 4.48Å; F318-R320 HydrophobicContact CZ-CB 4.23Å; F318-I349 HydrophobicContact CE2-CD1 4.12Å; F318-I349 HydrophobicContact CZ-CD1 4.13Å
319	L	97.2	Very high	90.5	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.115	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.4	176.8	-177.6	63.5	0	0	0	109.5	V292 V295 F317 A322 S347 V348 I349	V292-L319 HydrophobicContact CB-CD1 3.83Å; V292-L319 HydrophobicContact CG1-CD1 3.85Å; V292-L319 CarbonylContact O-C 3.55Å; V292-L319 VanDerWaalsContact O-CA 3.3Å; V292-L319 WeakPolarHBondContact O-CA 3.23Å; V295-L319 HydrophobicContact CG1-CD1 3.48Å; V295-L319 VanDerWaalsContact CG1-CD1 3.48Å; F317-L319 HydrophobicContact CE1-CB 3.81Å; F317-L319 HydrophobicContact CE1-CD2 4.39Å; F317-L319 HydrophobicContact CZ-CB 4.31Å; L319-A322 HydrophobicContact CD1-CB 4.05Å; L319-A322 HydrophobicContact CD2-CB 4.04Å; L319-A322 HydrophobicContact CG-CB 4.06Å; L319-S347 PolarHBondContact N-O 2.92Å; L319-V348 HydrophobicContact CD2-CG1 4.28Å; L319-V348 CarbonylContact O-C 3.51Å; L319-V348 WeakPolarHBondContact O-CA 3.11Å; L319-I349 PolarHBondContact O-N 2.98Å
320	R	97.9	Very high	91.1	Very high	103 Å²	103	60 Å²	60	39%	0.389	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.1	177.8	-176.8	177.5	-173	-155.6	9.9	111.9	V292 E293 D294 F318 A322 I349	V292-R320 PolarHBondContact O-N 2.83Å; E293-R320 WeakPolarHBondContact CA-O 3.44Å; E293-R320 HydrophobicContact CG-CB 4.35Å; E293-R320 IonicContact OE1-CZ 3.11Å; E293-R320 IonicContact OE1-NE 2.73Å; E293-R320 IonicContact OE1-NH1 3.19Å; E293-R320 PolarHBondContact OE1-NH1 2.99Å; D294-R320 PolarHBondContact N-O 3.18Å; F318-R320 HydrophobicContact CD1-CB 4.27Å; F318-R320 HydrophobicContact CE1-CB 3.51Å; F318-R320 HydrophobicContact CE1-CG 4.48Å; F318-R320 HydrophobicContact CZ-CB 4.23Å; R320-A322 PolarHBondContact O-N 3.45Å; R320-I349 VanDerWaalsContact CA-O 3.31Å; R320-I349 WeakPolarHBondContact CA-O 3.17Å; R320-I349 HydrophobicContact CB-CB 4.47Å; R320-I349 HydrophobicContact CG-CB 4.24Å; R320-I349 HydrophobicContact CG-CG2 4.42Å
321	N	97.8	Very high	91	Very high	42 Å²	42	59.7 Å²	59.7	23%	0.225	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54	50.3	177.5	-58.5	-20.8	0	0	0	112	D294 V295 I349 N350	D294-N321 WeakPolarHBondContact CA-O 3.49Å; D294-N321 WeakPolarHBondContact OD1-CB 3.47Å; D294-N321 PolarHBondContact OD1-ND2 2.98Å; V295-N321 PolarHBondContact N-O 2.94Å; N321-I349 PolarHBondContact N-O 3.23Å; N321-N350 WeakPolarHBondContact CA-O 3.38Å; N321-N350 PolarHBondContact OD1-ND2 2.65Å
322	A	95.9	Very high	90.5	Very high	9 Å²	9	62.4 Å²	62.4	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.7	177.2	0	0	0	0	0	111.4	V295 L319 R320 C351	V295-A322 HydrophobicContact CG1-CB 3.55Å; V295-A322 CarbonylContact O-C 3.11Å; V295-A322 WeakPolarHBondContact O-CA 3.43Å; L319-A322 HydrophobicContact CD1-CB 4.05Å; L319-A322 HydrophobicContact CD2-CB 4.04Å; L319-A322 HydrophobicContact CG-CB 4.06Å; R320-A322 PolarHBondContact O-N 3.45Å; A322-C351 HydrophobicContact CB-CB 3.92Å; A322-C351 WeakPolarHBondContact CB-SG 3.28Å; A322-C351 PolarHBondContact N-SG 2.87Å
323	V	94.9	Very high	89.8	Confident	85 Å²	85	61.5 Å²	61.5	52%	0.515	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.8	171.4	-179.2	0	0	0	0	108.3	V295 T296 L297 V325	V295-V323 PolarHBondContact O-N 3.25Å; T296-V323 CarbonylContact C-O 3.6Å; T296-V323 WeakPolarHBondContact CA-O 3.28Å; L297-V323 PolarHBondContact N-O 3.13Å; V323-V325 HydrophobicContact CG1-CG2 4.24Å
324	V	91.9	Very high	88.7	Confident	60 Å²	60	64.1 Å²	64.1	36%	0.364	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	114.3	176.5	-174	0	0	0	0	109.2	L297 I327 F330	L297-V324 HydrophobicContact CB-CG2 4.46Å; L297-V324 HydrophobicContact CD1-CG2 4.41Å; L297-V324 CarbonylContact O-C 3.51Å; L297-V324 WeakPolarHBondContact O-CA 3.25Å; V324-I327 HydrophobicContact CG1-CB 3.97Å; V324-I327 HydrophobicContact CG1-CD1 4.3Å; V324-I327 HydrophobicContact CG1-CG1 4.02Å; V324-F330 HydrophobicContact CG1-CD2 4.22Å; V324-F330 HydrophobicContact CG1-CE2 3.47Å; V324-F330 VanDerWaalsContact CG1-CE2 3.47Å; V324-F330 HydrophobicContact CG1-CZ 3.81Å
325	V	92.3	Very high	87.8	Confident	60 Å²	60	67.6 Å²	67.6	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	139.4	177.2	-176.5	0	0	0	0	108.9	T296 L297 T298 G299 V323 I327	T296-V325 HydrophobicContact CG2-CG2 3.84Å; L297-V325 PolarHBondContact O-N 2.89Å; T298-V325 HydrophobicContact CG2-CB 4.21Å; G299-V325 PolarHBondContact N-O 2.78Å; V323-V325 HydrophobicContact CG1-CG2 4.24Å; V325-I327 PolarHBondContact O-N 3.31Å
326	D	90.1	Very high	86.8	Confident	54 Å²	54	67.4 Å²	67.4	29%	0.289	34%	0.335	S	S	.	.	S	Bend	trans	56	44.7	-178.6	-69.3	-29.6	0	0	0	114	Y328 K329	D326-Y328 HydrophobicContact CB-CE1 4.07Å; D326-Y328 PolarHBondContact O-N 2.89Å; D326-Y328 WeakPolarHBondContact OD1-CE1 3.24Å; D326-Y328 PolarHBondContact OD1-OH 3.45Å; D326-K329 HydrophobicContact CB-CD 3.87Å; D326-K329 HydrophobicContact CB-CG 4.21Å; D326-K329 WeakPolarHBondContact O-CB 3.19Å; D326-K329 PolarHBondContact O-N 2.91Å; D326-K329 IonicContact OD2-NZ 2.77Å; D326-K329 PolarHBondContact OD2-NZ 3.21Å
327	I	86.6	Confident	85.9	Confident	109 Å²	109	66 Å²	66	56%	0.559	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-51.6	-31.6	-178.1	-164.5	165.4	0	0	0	113.9	V324 V325 K329 F330	V324-I327 HydrophobicContact CG1-CB 3.97Å; V324-I327 HydrophobicContact CG1-CD1 4.3Å; V324-I327 HydrophobicContact CG1-CG1 4.02Å; V325-I327 PolarHBondContact O-N 3.31Å; I327-K329 PolarHBondContact O-N 2.84Å; I327-F330 PolarHBondContact O-N 2.83Å
328	Y	85.4	Confident	85.2	Confident	169 Å²	169	65.6 Å²	65.6	66%	0.663	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14.7	179.4	60.5	-88.9	0	0	0	114	D326	D326-Y328 HydrophobicContact CB-CE1 4.07Å; D326-Y328 PolarHBondContact O-N 2.89Å; D326-Y328 WeakPolarHBondContact OD1-CE1 3.24Å; D326-Y328 PolarHBondContact OD1-OH 3.45Å
329	K	88.2	Confident	84.4	Confident	87 Å²	87	65.1 Å²	65.1	38%	0.378	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-85.3	-22	174.1	-64.9	-179.9	-174.7	158	0	112	G299 G301 D326 I327 V331	G299-K329 WeakPolarHBondContact O-CD 3.38Å; G301-K329 WeakPolarHBondContact CA-O 3.35Å; G301-K329 PolarHBondContact N-O 3.41Å; D326-K329 HydrophobicContact CB-CD 3.87Å; D326-K329 HydrophobicContact CB-CG 4.21Å; D326-K329 WeakPolarHBondContact O-CB 3.19Å; D326-K329 PolarHBondContact O-N 2.91Å; D326-K329 IonicContact OD2-NZ 2.77Å; D326-K329 PolarHBondContact OD2-NZ 3.21Å; I327-K329 PolarHBondContact O-N 2.84Å; K329-V331 PolarHBondContact O-N 2.95Å
330	F	83.7	Confident	84	Confident	32 Å²	32	66.6 Å²	66.6	14%	0.14	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63.6	136.5	-178.7	-74.6	-101.6	0	0	0	111.4	D272 L297 V324 I327 F333	D272-F330 HydrophobicContact CB-CD1 3.73Å; D272-F330 HydrophobicContact CB-CE1 3.43Å; D272-F330 VanDerWaalsContact CB-CE1 3.43Å; D272-F330 HydrophobicContact CB-CZ 4.14Å; L297-F330 HydrophobicContact CB-CZ 4.19Å; V324-F330 HydrophobicContact CG1-CD2 4.22Å; V324-F330 HydrophobicContact CG1-CE2 3.47Å; V324-F330 VanDerWaalsContact CG1-CE2 3.47Å; V324-F330 HydrophobicContact CG1-CZ 3.81Å; I327-F330 PolarHBondContact O-N 2.83Å; F330-F333 HydrophobicContact CB-CE2 3.97Å; F330-F333 HydrophobicContact CD1-CE1 4.45Å; F330-F333 AromaticContact CD1-CE2 3.65Å; F330-F333 HydrophobicContact CD1-CE2 3.65Å; F330-F333 AromaticContact CD1-CZ 3.33Å; F330-F333 HydrophobicContact CD1-CZ 3.33Å; F330-F333 HydrophobicContact CE1-CE2 4.47Å; F330-F333 AromaticContact CE1-CZ 3.82Å; F330-F333 HydrophobicContact CE1-CZ 3.82Å; F330-F333 HydrophobicContact CG-CE2 4.12Å; F330-F333 HydrophobicContact CG-CZ 4.24Å
331	V	78.4	Confident	83.5	Confident	57 Å²	57	67 Å²	67	35%	0.345	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-80.5	165.7	172.4	-159.8	0	0	0	0	109.3	W303 K329 F333	W303-V331 HydrophobicContact CB-CB 4.02Å; W303-V331 HydrophobicContact CB-CG2 3.94Å; K329-V331 PolarHBondContact O-N 2.95Å; V331-F333 PolarHBondContact O-N 3.45Å; V331-F333 VanDerWaalsContact O-N 3.16Å
332	S	73.3	Confident	83.1	Confident	62 Å²	62	68.4 Å²	68.4	43%	0.434	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-57.3	118.7	178.4	-178.9	0	0	0	0	112.9	L334	S332-L334 PolarHBondContact O-N 2.97Å; S332-L334 PolarHBondContact OG-N 3.24Å
333	F	70.6	Confident	83	Confident	100 Å²	100	68.2 Å²	68.2	44%	0.439	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-69.2	-6.1	174.6	-73.1	-88	0	0	0	114.2	W303 F330 V331 Q335 L336	W303-F333 HydrophobicContact CE3-CE1 4.47Å; W303-F333 HydrophobicContact CH2-CE1 4.43Å; W303-F333 HydrophobicContact CZ3-CE1 4.36Å; F330-F333 HydrophobicContact CB-CE2 3.97Å; F330-F333 HydrophobicContact CD1-CE1 4.45Å; F330-F333 AromaticContact CD1-CE2 3.65Å; F330-F333 HydrophobicContact CD1-CE2 3.65Å; F330-F333 AromaticContact CD1-CZ 3.33Å; F330-F333 HydrophobicContact CD1-CZ 3.33Å; F330-F333 HydrophobicContact CE1-CE2 4.47Å; F330-F333 AromaticContact CE1-CZ 3.82Å; F330-F333 HydrophobicContact CE1-CZ 3.82Å; F330-F333 HydrophobicContact CG-CE2 4.12Å; F330-F333 HydrophobicContact CG-CZ 4.24Å; V331-F333 PolarHBondContact O-N 3.45Å; V331-F333 VanDerWaalsContact O-N 3.16Å; F333-Q335 PolarHBondContact O-N 3.08Å; F333-Q335 VanDerWaalsContact O-N 3.08Å; F333-L336 HydrophobicContact CD1-CD1 3.69Å; F333-L336 HydrophobicContact CE1-CD1 4.33Å; F333-L336 WeakPolarHBondContact O-CB 3.48Å; F333-L336 PolarHBondContact O-N 3.38Å
334	L	68.3	Low	83.1	Confident	109 Å²	109	69.8 Å²	69.8	57%	0.571	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-56.4	-28.7	177.9	-72.9	171.1	0	0	0	112.5	S332 L336 G337 E359	S332-L334 PolarHBondContact O-N 2.97Å; S332-L334 PolarHBondContact OG-N 3.24Å; L334-L336 PolarHBondContact O-N 2.93Å; L334-G337 PolarHBondContact O-N 2.92Å; L334-G337 VanDerWaalsContact O-N 3.08Å; L334-E359 HydrophobicContact CD2-CB 4.35Å
335	Q	70.2	Confident	83.4	Confident	86 Å²	86	70.6 Å²	70.6	40%	0.402	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-65.5	-18.1	176.7	-59.6	-173.9	5.8	0	0	113.3	F333 F338	F333-Q335 PolarHBondContact O-N 3.08Å; F333-Q335 VanDerWaalsContact O-N 3.08Å; Q335-F338 WeakPolarHBondContact O-CD1 3.45Å
336	L	72.8	Confident	83.6	Confident	17 Å²	17	68.5 Å²	68.5	9%	0.089	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-92.8	10.5	174.6	-58.7	-179.4	0	0	0	113.8	W303 F333 L334 F338 L339	W303-L336 HydrophobicContact CH2-CD1 4.02Å; W303-L336 HydrophobicContact CZ2-CD1 3.12Å; W303-L336 HydrophobicContact CZ2-CD2 3.76Å; W303-L336 HydrophobicContact CZ2-CG 3.86Å; F333-L336 HydrophobicContact CD1-CD1 3.69Å; F333-L336 HydrophobicContact CE1-CD1 4.33Å; F333-L336 WeakPolarHBondContact O-CB 3.48Å; F333-L336 PolarHBondContact O-N 3.38Å; L334-L336 PolarHBondContact O-N 2.93Å; L336-F338 HydrophobicContact CD2-CE1 3.84Å; L336-F338 HydrophobicContact CD2-CZ 4Å; L336-F338 PolarHBondContact O-N 2.78Å; L336-L339 HydrophobicContact CB-CD1 4.23Å; L336-L339 HydrophobicContact CD1-CD1 4.33Å; L336-L339 HydrophobicContact CD2-CD1 4.38Å; L336-L339 WeakPolarHBondContact O-CB 3.43Å; L336-L339 PolarHBondContact O-N 3.27Å
337	G	76.8	Confident	84	Confident	10 Å²	10	66 Å²	66	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-53	-23.4	179.6	0	0	0	0	0	114	L334 L339 L340	L334-G337 PolarHBondContact O-N 2.92Å; L334-G337 VanDerWaalsContact O-N 3.08Å; G337-L339 VanDerWaalsContact C-N 3.27Å; G337-L339 PolarHBondContact O-N 3.06Å; G337-L340 PolarHBondContact O-N 3.04Å; G337-L340 VanDerWaalsContact O-N 3.15Å
338	F	79.4	Confident	84.5	Confident	59 Å²	59	61.9 Å²	61.9	26%	0.259	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-28.4	173.8	70.4	-95.1	0	0	0	113.9	A306 T309 Y311 Q335 L336 L340	A306-F338 HydrophobicContact CB-CZ 4.24Å; T309-F338 WeakPolarHBondContact OG1-CE2 3.36Å; T309-F338 WeakPolarHBondContact OG1-CZ 3.14Å; Y311-F338 HydrophobicContact CD2-CE2 4.23Å; Q335-F338 WeakPolarHBondContact O-CD1 3.45Å; L336-F338 HydrophobicContact CD2-CE1 3.84Å; L336-F338 HydrophobicContact CD2-CZ 4Å; L336-F338 PolarHBondContact O-N 2.78Å; F338-L340 VanDerWaalsContact C-N 3.31Å
339	L	81.7	Confident	85.2	Confident	36 Å²	36	54.9 Å²	54.9	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-72.7	-26.5	175.7	-67.1	177.6	0	0	0	112.2	L279 Y311 L336 G337 P343	L279-L339 HydrophobicContact CD1-CD1 4.02Å; L279-L339 HydrophobicContact CD2-CD1 4.44Å; Y311-L339 HydrophobicContact CD2-CD2 3.45Å; Y311-L339 VanDerWaalsContact CD2-CD2 3.45Å; Y311-L339 HydrophobicContact CE2-CD2 4.19Å; Y311-L339 HydrophobicContact CG-CD2 3.83Å; L336-L339 HydrophobicContact CB-CD1 4.23Å; L336-L339 HydrophobicContact CD1-CD1 4.33Å; L336-L339 HydrophobicContact CD2-CD1 4.38Å; L336-L339 WeakPolarHBondContact O-CB 3.43Å; L336-L339 PolarHBondContact O-N 3.27Å; G337-L339 VanDerWaalsContact C-N 3.27Å; G337-L339 PolarHBondContact O-N 3.06Å; L339-P343 WeakPolarHBondContact O-CD 3.26Å
340	L	87.1	Confident	85.6	Confident	52 Å²	52	54.8 Å²	54.8	27%	0.272	27%	0.266	S	S	.	.	H	α-helix	trans	-86.5	-11.7	-173.9	-58.1	178.5	0	0	0	113.1	G337 F338 T360 L363 L364	G337-L340 PolarHBondContact O-N 3.04Å; G337-L340 VanDerWaalsContact O-N 3.15Å; F338-L340 VanDerWaalsContact C-N 3.31Å; L340-T360 HydrophobicContact CD1-CG2 3.57Å; L340-L363 HydrophobicContact CB-CB 4.18Å; L340-L363 HydrophobicContact CD1-CD1 4.33Å; L340-L364 HydrophobicContact CB-CD2 4.09Å; L340-L364 HydrophobicContact CB-CG 4.38Å; L340-L364 HydrophobicContact CD2-CD2 4.39Å; L340-L364 WeakPolarHBondContact O-CD2 3.35Å
341	Y	88.1	Confident	86.2	Confident	112 Å²	112	54.1 Å²	54.1	44%	0.439	27%	0.265	S	S	.	.	S	Bend	trans	-74.1	-35.5	-174.7	-176	-91.5	0	0	0	113.6	L363 V365 N366	Y341-L363 WeakPolarHBondContact CA-O 3.43Å; Y341-V365 HydrophobicContact CD2-CG2 3.59Å; Y341-V365 HydrophobicContact CE1-CG2 4.42Å; Y341-V365 HydrophobicContact CE2-CG1 4.46Å; Y341-V365 HydrophobicContact CE2-CG2 3.37Å; Y341-V365 HydrophobicContact CG-CG2 4.22Å; Y341-N366 PolarHBondContact O-ND2 3.09Å
342	Y	90	Very high	87	Confident	72 Å²	72	53.2 Å²	53.2	28%	0.282	27%	0.267	S	S	.	.	S	Bend	trans	-90.1	-37.3	-172	-56.8	-69.4	0	0	0	117	K312 R344	K312-Y342 HydrophobicContact CB-CD1 4.25Å; K312-Y342 HydrophobicContact CB-CE1 4.19Å; K312-Y342 HydrophobicContact CG-CD1 4.06Å; K312-Y342 HydrophobicContact CG-CD2 4.36Å; K312-Y342 HydrophobicContact CG-CE1 3.51Å; K312-Y342 HydrophobicContact CG-CE2 3.81Å; K312-Y342 HydrophobicContact CG-CG 4.47Å; Y342-R344 PolarHBondContact O-N 3.36Å
343	P	93.7	Very high	88	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.026	26%	0.256	C	S	.	.			trans	-63.5	135.3	-170.3	24	-34	0	0	0	112	D315 L339 V346	D315-P343 CarbonylContact O-C 3.55Å; D315-P343 WeakPolarHBondContact O-CA 3.15Å; L339-P343 WeakPolarHBondContact O-CD 3.26Å; P343-V346 HydrophobicContact CB-CG2 4.07Å; P343-V346 HydrophobicContact CG-CG2 4.05Å
344	R	96.9	Very high	89.1	Confident	119 Å²	119	53.1 Å²	53.1	45%	0.449	26%	0.262	S	S	.	.	S	Bend	trans	-89.5	-21.2	171.8	-62.6	-177.1	-66.2	-165.2	-3.6	111.5	D315 Y342 Q368 Y369	D315-R344 PolarHBondContact O-N 3.29Å; D315-R344 WeakPolarHBondContact OD1-CB 3.27Å; D315-R344 WeakPolarHBondContact OD1-CG 3.14Å; D315-R344 IonicContact OD1-CZ 2.63Å; D315-R344 VanDerWaalsContact OD1-CZ 3.22Å; D315-R344 IonicContact OD1-NE 3.27Å; D315-R344 PolarHBondContact OD1-NE 2.95Å; D315-R344 IonicContact OD1-NH2 3.52Å; D315-R344 PolarHBondContact OD1-NH2 2.77Å; D315-R344 IonicContact OD2-CZ 2.63Å; D315-R344 IonicContact OD2-NE 3.22Å; D315-R344 IonicContact OD2-NH2 3.91Å; D315-R344 PolarHBondContact OD2-NH2 3.04Å; Y342-R344 PolarHBondContact O-N 3.36Å; R344-Q368 HydrophobicContact CB-CG 4.38Å; R344-Q368 WeakPolarHBondContact O-CA 3.29Å; R344-Q368 PolarHBondContact O-N 3Å; R344-Y369 PolarHBondContact O-N 3.45Å
345	K	97.9	Very high	90.4	Very high	76 Å²	76	49.7 Å²	49.7	33%	0.33	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.6	176.6	-50.9	-165.7	-155.9	148.1	0	111.6	D315 E316 F317 Y369	D315-K345 PolarHBondContact O-N 2.76Å; E316-K345 WeakPolarHBondContact CA-O 3.01Å; E316-K345 HydrophobicContact CB-CB 4.25Å; E316-K345 HydrophobicContact CG-CB 3.99Å; E316-K345 HydrophobicContact CG-CD 4.44Å; E316-K345 WeakPolarHBondContact OE2-CD 3.26Å; E316-K345 IonicContact OE2-NZ 2.65Å; E316-K345 PolarHBondContact OE2-NZ 3.26Å; F317-K345 PolarHBondContact N-O 2.97Å; K345-Y369 WeakPolarHBondContact CA-O 3.34Å; K345-Y369 HydrophobicContact CB-CD1 4.29Å; K345-Y369 HydrophobicContact CD-CG 4.46Å; K345-Y369 HydrophobicContact CG-CG 4.47Å
346	V	97.3	Very high	91.5	Very high	16 Å²	16	46.4 Å²	46.4	10%	0.097	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.5	174.3	175.1	0	0	0	0	108.5	F317 P343 V348 L364 L367 Y369 L370 D371	F317-V346 CarbonylContact O-C 3.52Å; F317-V346 WeakPolarHBondContact O-CA 3.1Å; P343-V346 HydrophobicContact CB-CG2 4.07Å; P343-V346 HydrophobicContact CG-CG2 4.05Å; V346-V348 HydrophobicContact CG1-CG2 4.1Å; V346-L364 HydrophobicContact CG2-CD2 4.15Å; V346-L367 HydrophobicContact CB-CD1 3.87Å; V346-L367 HydrophobicContact CG2-CD1 3.58Å; V346-Y369 PolarHBondContact N-O 3.22Å; V346-L370 HydrophobicContact CB-CD1 4.31Å; V346-L370 HydrophobicContact CG1-CD1 4.34Å; V346-L370 WeakPolarHBondContact O-CA 3.39Å; V346-D371 PolarHBondContact O-N 3.36Å
347	S	98.1	Very high	92.5	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	123.8	173.9	-51.1	0	0	0	0	109.2	F317 L319 Y369 D371	F317-S347 PolarHBondContact O-N 3.04Å; L319-S347 PolarHBondContact N-O 2.92Å; S347-Y369 WeakPolarHBondContact OG-CE1 3.29Å; S347-D371 CarbonylContact C-O 3.39Å; S347-D371 WeakPolarHBondContact CA-O 3.33Å
348	V	97.4	Very high	93.3	Very high	22 Å²	22	48.9 Å²	48.9	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	94.4	175.3	-176.2	0	0	0	0	107.3	L319 V346 C351 V353 D371 L372 N375	L319-V348 HydrophobicContact CD2-CG1 4.28Å; L319-V348 CarbonylContact O-C 3.51Å; L319-V348 WeakPolarHBondContact O-CA 3.11Å; V346-V348 HydrophobicContact CG1-CG2 4.1Å; V348-C351 HydrophobicContact CG1-CB 3.74Å; V348-V353 HydrophobicContact CG1-CG2 3.59Å; V348-D371 PolarHBondContact N-O 3.4Å; V348-L372 HydrophobicContact CB-CD2 4.05Å; V348-N375 PolarHBondContact O-ND2 3.37Å
349	I	98.4	Very high	93.9	Very high	21 Å²	21	50.9 Å²	50.9	11%	0.108	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.5	-165.6	-57.1	173.6	0	0	0	109.9	F318 L319 R320 N321 C351 S373	F318-I349 HydrophobicContact CE2-CD1 4.12Å; F318-I349 HydrophobicContact CZ-CD1 4.13Å; L319-I349 PolarHBondContact O-N 2.98Å; R320-I349 VanDerWaalsContact CA-O 3.31Å; R320-I349 WeakPolarHBondContact CA-O 3.17Å; R320-I349 HydrophobicContact CB-CB 4.47Å; R320-I349 HydrophobicContact CG-CB 4.24Å; R320-I349 HydrophobicContact CG-CG2 4.42Å; N321-I349 PolarHBondContact N-O 3.23Å; I349-C351 VanDerWaalsContact C-N 3.29Å; I349-C351 PolarHBondContact O-N 3.27Å; I349-C351 PolarHBondContact O-SG 3.02Å; I349-S373 WeakPolarHBondContact CA-O 3.37Å
350	N	97.7	Very high	94.4	Very high	85 Å²	85	50.7 Å²	50.7	46%	0.455	26%	0.256	S	S	.	.	S	Bend	trans	51.8	46.2	177.2	-170.1	38.4	0	0	0	113.5	N321 S373 D374	N321-N350 WeakPolarHBondContact CA-O 3.38Å; N321-N350 PolarHBondContact OD1-ND2 2.65Å; N350-S373 PolarHBondContact N-O 3.29Å; N350-S373 VanDerWaalsContact N-O 3.09Å; N350-D374 VanDerWaalsContact CA-O 3.23Å; N350-D374 WeakPolarHBondContact CA-O 3.48Å; N350-D374 HydrophobicContact CB-CB 4.08Å
351	C	96.6	Very high	94.7	Very high	19 Å²	19	48.2 Å²	48.2	13%	0.128	24%	0.243	C	C	.	.	S	Bend	trans	-111.1	7.7	-177.6	-65.5	0	0	0	0	112.5	A322 V348 I349 V353 N375	A322-C351 HydrophobicContact CB-CB 3.92Å; A322-C351 WeakPolarHBondContact CB-SG 3.28Å; A322-C351 PolarHBondContact N-SG 2.87Å; V348-C351 HydrophobicContact CG1-CB 3.74Å; I349-C351 VanDerWaalsContact C-N 3.29Å; I349-C351 PolarHBondContact O-N 3.27Å; I349-C351 PolarHBondContact O-SG 3.02Å; C351-V353 VanDerWaalsContact C-N 3.25Å; C351-V353 HydrophobicContact CB-CG2 4.1Å; C351-V353 PolarHBondContact O-N 3.02Å; C351-N375 PolarHBondContact N-OD1 2.71Å
352	G	94.7	Very high	94.9	Very high	37 Å²	37	47.7 Å²	47.7	38%	0.381	24%	0.243	S	C	.	.			trans	68.3	21.9	-175.5	0	0	0	0	0	113.9	F354 N375	G352-F354 PolarHBondContact O-N 2.71Å; G352-N375 PolarHBondContact N-OD1 2.94Å
353	V	93.4	Very high	95	Very high	34 Å²	34	47 Å²	47	21%	0.206	24%	0.244	C	C	.	.			trans	-64.3	121.4	178.8	178.1	0	0	0	0	109.4	V348 C351 N375 L376 L377	V348-V353 HydrophobicContact CG1-CG2 3.59Å; C351-V353 VanDerWaalsContact C-N 3.25Å; C351-V353 HydrophobicContact CB-CG2 4.1Å; C351-V353 PolarHBondContact O-N 3.02Å; V353-N375 HydrophobicContact CB-CB 4.13Å; V353-N375 PolarHBondContact N-OD1 3.37Å; V353-N375 VanDerWaalsContact N-OD1 3.08Å; V353-N375 WeakPolarHBondContact O-CB 3.15Å; V353-L376 CarbonylContact O-C 3.14Å; V353-L376 WeakPolarHBondContact O-CA 3.29Å; V353-L376 PolarHBondContact O-N 3.4Å; V353-L377 HydrophobicContact CG1-CD2 4.46Å
354	F	94.5	Very high	94.9	Very high	127 Å²	127	47 Å²	47	56%	0.557	24%	0.244	S	C	*	.			trans	-102.3	-20.6	177.8	68.3	-89.9	0	0	0	113	G352 L376 T381	G352-F354 PolarHBondContact O-N 2.71Å; F354-L376 HydrophobicContact CB-CB 4.18Å; F354-T381 WeakPolarHBondContact O-CB 3.09Å; F354-T381 WeakPolarHBondContact O-CG2 3.33Å; F354-T381 PolarHBondContact O-OG1 2.98Å
355	V	95.6	Very high	94.7	Very high	37 Å²	37	44.1 Å²	44.1	22%	0.224	24%	0.239	C	C	.	.			trans	-157.7	141.9	174.9	68.3	0	0	0	0	110.5	T381 E384	V355-T381 HydrophobicContact CB-CG2 4.16Å; V355-T381 HydrophobicContact CG2-CG2 4.4Å; V355-E384 HydrophobicContact CG2-CB 3.95Å; V355-E384 HydrophobicContact CG2-CG 3.64Å
356	M	94.2	Very high	94.5	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.084	24%	0.239	C	C	.	.			trans	-100.6	114.5	158.4	177.7	177.3	60.7	0	0	107	T360 S361 L364 L370 L372 S385	M356-T360 HydrophobicContact CG-CG2 3.93Å; M356-T360 HydrophobicContact SD-CG2 4.27Å; M356-S361 WeakPolarHBondContact CE-OG 3.1Å; M356-L364 HydrophobicContact SD-CD1 3.84Å; M356-L370 HydrophobicContact CE-CD2 4.02Å; M356-L372 HydrophobicContact CE-CD1 4.42Å; M356-S385 VanDerWaalsContact CE-O 3.32Å; M356-S385 WeakPolarHBondContact CE-O 3.43Å; M356-S385 PolarHBondContact N-OG 2.86Å; M356-S385 WeakPolarHBondContact O-CA 3.35Å; M356-S385 PolarHBondContact O-OG 2.76Å
357	P	93.2	Very high	94.5	Very high	62 Å²	62	42.7 Å²	42.7	40%	0.403	23%	0.234	S	C	.	.			trans	-60	143.8	-179	-24.6	33.5	0	0	0	111.8	E359 T360 S361	P357-E359 PolarHBondContact O-N 3.05Å; P357-E359 VanDerWaalsContact O-N 3.13Å; P357-T360 WeakPolarHBondContact O-CA 3.38Å; P357-T360 WeakPolarHBondContact O-CB 3.37Å; P357-T360 PolarHBondContact O-N 3.33Å; P357-T360 PolarHBondContact O-OG1 3.01Å; P357-S361 PolarHBondContact O-N 3.48Å
358	C	94.3	Very high	94.5	Very high	16 Å²	16	45.6 Å²	45.6	11%	0.108	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-32.3	-178.1	172.4	0	0	0	0	113.1	T360 S361 K362 E384 C387	C358-T360 PolarHBondContact O-N 3.27Å; C358-S361 WeakPolarHBondContact O-CB 3.48Å; C358-S361 PolarHBondContact O-N 3.34Å; C358-S361 VanDerWaalsContact O-N 3.1Å; C358-K362 WeakPolarHBondContact O-CG 3.17Å; C358-K362 PolarHBondContact O-N 3.1Å; C358-E384 WeakPolarHBondContact CB-O 3.36Å; C358-E384 VanDerWaalsContact CB-OE1 3.28Å; C358-E384 WeakPolarHBondContact CB-OE1 3.23Å; C358-E384 PolarHBondContact N-OE1 2.95Å; C358-C387 WeakPolarHBondContact CA-SG 3.28Å; C358-C387 HydrophobicContact CB-CB 4.06Å; C358-C387 WeakPolarHBondContact CB-SG 3.44Å; C358-C387 PolarHBondContact O-SG 2.76Å; C358-C387 VanDerWaalsContact SG-CA 3.57Å; C358-C387 WeakPolarHBondContact SG-CB 3.47Å; C358-C387 CovalentContact SG-SG 2.04Å; C358-C387 PolarHBondContact SG-SG 3.17Å
359	E	91	Very high	94.5	Very high	102 Å²	102	48.1 Å²	48.1	48%	0.477	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-33.6	172.8	-65.2	-53.8	137	0	0	112.7	L334 P357 K362 L363	L334-E359 HydrophobicContact CD2-CB 4.35Å; P357-E359 PolarHBondContact O-N 3.05Å; P357-E359 VanDerWaalsContact O-N 3.13Å; E359-K362 PolarHBondContact O-N 2.88Å; E359-K362 IonicContact OE1-NZ 2.69Å; E359-K362 PolarHBondContact OE1-NZ 3.29Å; E359-K362 IonicContact OE2-NZ 3.71Å; E359-L363 WeakPolarHBondContact O-CG 3.35Å; E359-L363 PolarHBondContact O-N 2.63Å
360	T	91.7	Very high	94.5	Very high	31 Å²	31	47.1 Å²	47.1	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-45.9	173.4	-46.5	0	0	0	0	110.4	L340 M356 P357 C358 K362 L363 L364	L340-T360 HydrophobicContact CD1-CG2 3.57Å; M356-T360 HydrophobicContact CG-CG2 3.93Å; M356-T360 HydrophobicContact SD-CG2 4.27Å; P357-T360 WeakPolarHBondContact O-CA 3.38Å; P357-T360 WeakPolarHBondContact O-CB 3.37Å; P357-T360 PolarHBondContact O-N 3.33Å; P357-T360 PolarHBondContact O-OG1 3.01Å; C358-T360 PolarHBondContact O-N 3.27Å; T360-K362 VanDerWaalsContact C-N 3.26Å; T360-K362 PolarHBondContact O-N 3.45Å; T360-L363 WeakPolarHBondContact O-CB 3.14Å; T360-L363 PolarHBondContact O-N 3.32Å; T360-L364 HydrophobicContact CG2-CD1 4.35Å; T360-L364 PolarHBondContact O-N 3.08Å
361	S	93.4	Very high	94.6	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-32.9	178	-45.4	0	0	0	0	112.8	M356 P357 C358 L363 S385 L393	M356-S361 WeakPolarHBondContact CE-OG 3.1Å; P357-S361 PolarHBondContact O-N 3.48Å; C358-S361 WeakPolarHBondContact O-CB 3.48Å; C358-S361 PolarHBondContact O-N 3.34Å; C358-S361 VanDerWaalsContact O-N 3.1Å; S361-L363 VanDerWaalsContact C-N 3.33Å; S361-S385 PolarHBondContact OG-O 3.24Å; S361-L393 WeakPolarHBondContact O-CD2 3.41Å
362	K	92.7	Very high	94.7	Very high	101 Å²	101	43 Å²	43	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-67.8	-30.8	174.2	-70.9	174	-172.6	169.1	0	112.9	C358 E359 T360 V365 T392	C358-K362 WeakPolarHBondContact O-CG 3.17Å; C358-K362 PolarHBondContact O-N 3.1Å; E359-K362 PolarHBondContact O-N 2.88Å; E359-K362 IonicContact OE1-NZ 2.69Å; E359-K362 PolarHBondContact OE1-NZ 3.29Å; E359-K362 IonicContact OE2-NZ 3.71Å; T360-K362 VanDerWaalsContact C-N 3.26Å; T360-K362 PolarHBondContact O-N 3.45Å; K362-V365 WeakPolarHBondContact O-CG1 3.41Å; K362-T392 HydrophobicContact CG-CG2 3.86Å
363	L	91.4	Very high	94.8	Very high	58 Å²	58	41.5 Å²	41.5	30%	0.304	21%	0.211	S	C	.	.	H	α-helix	trans	-77.6	-27.5	179.6	-67.1	167.9	0	0	0	112.6	L340 Y341 E359 T360 S361 V365	L340-L363 HydrophobicContact CB-CB 4.18Å; L340-L363 HydrophobicContact CD1-CD1 4.33Å; Y341-L363 WeakPolarHBondContact CA-O 3.43Å; E359-L363 WeakPolarHBondContact O-CG 3.35Å; E359-L363 PolarHBondContact O-N 2.63Å; T360-L363 WeakPolarHBondContact O-CB 3.14Å; T360-L363 PolarHBondContact O-N 3.32Å; S361-L363 VanDerWaalsContact C-N 3.33Å; L363-V365 PolarHBondContact O-N 2.85Å
364	L	92.6	Very high	95	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.215	C	C	.	.			trans	-76.6	57.4	-179.6	-70.5	162.7	0	0	0	112.5	L340 V346 M356 T360 N366 L367 L393	L340-L364 HydrophobicContact CB-CD2 4.09Å; L340-L364 HydrophobicContact CB-CG 4.38Å; L340-L364 HydrophobicContact CD2-CD2 4.39Å; L340-L364 WeakPolarHBondContact O-CD2 3.35Å; V346-L364 HydrophobicContact CG2-CD2 4.15Å; M356-L364 HydrophobicContact SD-CD1 3.84Å; T360-L364 HydrophobicContact CG2-CD1 4.35Å; T360-L364 PolarHBondContact O-N 3.08Å; L364-N366 PolarHBondContact O-N 3.34Å; L364-L367 HydrophobicContact CB-CB 4.09Å; L364-L367 HydrophobicContact CB-CD2 4.15Å; L364-L367 HydrophobicContact CD1-CD2 4.17Å; L364-L367 HydrophobicContact CD2-CD1 4.34Å; L364-L367 HydrophobicContact CD2-CD2 4.4Å; L364-L367 HydrophobicContact CG-CD2 4.48Å; L364-L367 WeakPolarHBondContact O-CB 3.32Å; L364-L393 HydrophobicContact CB-CD2 3.77Å
365	V	92.3	Very high	95.2	Very high	59 Å²	59	36.7 Å²	36.7	36%	0.358	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-30.1	-170.3	-62.1	0	0	0	0	114.2	Y341 K362 L363	Y341-V365 HydrophobicContact CD2-CG2 3.59Å; Y341-V365 HydrophobicContact CE1-CG2 4.42Å; Y341-V365 HydrophobicContact CE2-CG1 4.46Å; Y341-V365 HydrophobicContact CE2-CG2 3.37Å; Y341-V365 HydrophobicContact CG-CG2 4.22Å; K362-V365 WeakPolarHBondContact O-CG1 3.41Å; L363-V365 PolarHBondContact O-N 2.85Å
366	N	94.3	Very high	95.3	Very high	61 Å²	61	39.9 Å²	39.9	33%	0.326	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.1	-176.9	-67.8	-42.4	0	0	0	113.2	Y341 L364 Q368	Y341-N366 PolarHBondContact O-ND2 3.09Å; L364-N366 PolarHBondContact O-N 3.34Å; N366-Q368 PolarHBondContact O-N 3Å
367	L	96.7	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.			trans	-67.5	125.7	-171.5	-166.8	71.1	0	0	0	111.6	V346 L364 Y369 L370 L393 E395 L396	V346-L367 HydrophobicContact CB-CD1 3.87Å; V346-L367 HydrophobicContact CG2-CD1 3.58Å; L364-L367 HydrophobicContact CB-CB 4.09Å; L364-L367 HydrophobicContact CB-CD2 4.15Å; L364-L367 HydrophobicContact CD1-CD2 4.17Å; L364-L367 HydrophobicContact CD2-CD1 4.34Å; L364-L367 HydrophobicContact CD2-CD2 4.4Å; L364-L367 HydrophobicContact CG-CD2 4.48Å; L364-L367 WeakPolarHBondContact O-CB 3.32Å; L367-Y369 WeakPolarHBondContact CD1-O 3.11Å; L367-L370 HydrophobicContact CD2-CB 3.83Å; L367-L370 HydrophobicContact CD2-CD1 4.14Å; L367-L370 HydrophobicContact CD2-CD2 4.18Å; L367-L370 HydrophobicContact CD2-CG 4.26Å; L367-L393 HydrophobicContact CB-CD2 4.5Å; L367-L393 HydrophobicContact CD2-CD2 3.96Å; L367-E395 CarbonylContact O-C 3.18Å; L367-E395 WeakPolarHBondContact O-CB 3.29Å; L367-L396 HydrophobicContact CD2-CD1 4.06Å; L367-L396 HydrophobicContact CG-CD1 4.03Å; L367-L396 WeakPolarHBondContact O-CA 3.38Å; L367-L396 PolarHBondContact O-N 3.07Å; L367-L396 VanDerWaalsContact O-N 3.09Å
368	Q	98.1	Very high	95.5	Very high	65 Å²	65	39 Å²	39	30%	0.304	20%	0.199	S	C	.	.			trans	-113.1	-26.4	178.8	-59.1	-175.9	22.6	0	0	112.4	R344 N366 E395 R397 V398	R344-Q368 HydrophobicContact CB-CG 4.38Å; R344-Q368 WeakPolarHBondContact O-CA 3.29Å; R344-Q368 PolarHBondContact O-N 3Å; N366-Q368 PolarHBondContact O-N 3Å; Q368-E395 HydrophobicContact CG-CB 4.32Å; Q368-R397 WeakPolarHBondContact O-CA 3.48Å; Q368-R397 PolarHBondContact O-N 2.97Å; Q368-V398 PolarHBondContact O-N 3.4Å
369	Y	98.6	Very high	95.6	Very high	74 Å²	74	40.2 Å²	40.2	29%	0.29	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.5	179.1	-178.4	-81.4	0	0	0	109.7	R344 K345 V346 S347 L367 D371 V398	R344-Y369 PolarHBondContact O-N 3.45Å; K345-Y369 WeakPolarHBondContact CA-O 3.34Å; K345-Y369 HydrophobicContact CB-CD1 4.29Å; K345-Y369 HydrophobicContact CD-CG 4.46Å; K345-Y369 HydrophobicContact CG-CG 4.47Å; V346-Y369 PolarHBondContact N-O 3.22Å; S347-Y369 WeakPolarHBondContact OG-CE1 3.29Å; L367-Y369 WeakPolarHBondContact CD1-O 3.11Å; Y369-D371 HydrophobicContact CE1-CB 3.65Å; Y369-D371 PolarHBondContact OH-OD2 3.41Å; Y369-V398 HydrophobicContact CD2-CB 3.5Å; Y369-V398 HydrophobicContact CD2-CG1 3.58Å; Y369-V398 HydrophobicContact CD2-CG2 3.93Å; Y369-V398 HydrophobicContact CE2-CB 4.04Å; Y369-V398 HydrophobicContact CE2-CG1 3.54Å; Y369-V398 HydrophobicContact CG-CB 4.27Å
370	L	98.4	Very high	95.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.1	174.9	-179	55.9	0	0	0	109.7	V346 M356 L367 L372 L393 L396 V398 L399 N400	V346-L370 HydrophobicContact CB-CD1 4.31Å; V346-L370 HydrophobicContact CG1-CD1 4.34Å; V346-L370 WeakPolarHBondContact O-CA 3.39Å; M356-L370 HydrophobicContact CE-CD2 4.02Å; L367-L370 HydrophobicContact CD2-CB 3.83Å; L367-L370 HydrophobicContact CD2-CD1 4.14Å; L367-L370 HydrophobicContact CD2-CD2 4.18Å; L367-L370 HydrophobicContact CD2-CG 4.26Å; L370-L372 HydrophobicContact CD1-CD1 4.29Å; L370-L372 HydrophobicContact CD1-CD2 4.07Å; L370-L372 HydrophobicContact CD1-CG 3.89Å; L370-L372 HydrophobicContact CD2-CD1 4.16Å; L370-L372 HydrophobicContact CG-CD1 4.29Å; L370-L372 HydrophobicContact CG-CG 4.09Å; L370-L393 HydrophobicContact CD2-CD1 4.42Å; L370-L396 HydrophobicContact CB-CD1 3.72Å; L370-V398 PolarHBondContact N-O 3.33Å; L370-L399 HydrophobicContact CB-CD1 4.08Å; L370-L399 HydrophobicContact CD2-CD1 3.92Å; L370-L399 HydrophobicContact CG-CD1 4.06Å; L370-L399 CarbonylContact O-C 3.47Å; L370-L399 WeakPolarHBondContact O-CA 3.28Å; L370-N400 PolarHBondContact O-N 2.79Å
371	D	98.6	Very high	96	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.043	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.2	171.9	-167	-26.7	0	0	0	110.2	V346 S347 V348 Y369 S373 N400	V346-D371 PolarHBondContact O-N 3.36Å; S347-D371 CarbonylContact C-O 3.39Å; S347-D371 WeakPolarHBondContact CA-O 3.33Å; V348-D371 PolarHBondContact N-O 3.4Å; Y369-D371 HydrophobicContact CE1-CB 3.65Å; Y369-D371 PolarHBondContact OH-OD2 3.41Å; D371-S373 WeakPolarHBondContact OD1-CB 3.37Å; D371-S373 PolarHBondContact OD1-N 3.1Å; D371-S373 PolarHBondContact OD1-OG 2.93Å; D371-N400 HydrophobicContact CB-CB 4.16Å; D371-N400 VanDerWaalsContact CG-ND2 3.3Å; D371-N400 PolarHBondContact OD1-ND2 3.19Å; D371-N400 PolarHBondContact OD2-ND2 3Å
372	L	98.2	Very high	96.2	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.052	21%	0.214	C	C	.	.			trans	-121.3	31.6	174.5	-60.8	175.3	0	0	0	110.5	V348 M356 L370 N375 L377 N400 I401 N404	V348-L372 HydrophobicContact CB-CD2 4.05Å; M356-L372 HydrophobicContact CE-CD1 4.42Å; L370-L372 HydrophobicContact CD1-CD1 4.29Å; L370-L372 HydrophobicContact CD1-CD2 4.07Å; L370-L372 HydrophobicContact CD1-CG 3.89Å; L370-L372 HydrophobicContact CD2-CD1 4.16Å; L370-L372 HydrophobicContact CG-CD1 4.29Å; L370-L372 HydrophobicContact CG-CG 4.09Å; L372-N375 PolarHBondContact O-ND2 2.94Å; L372-L377 HydrophobicContact CB-CD1 3.85Å; L372-L377 HydrophobicContact CD1-CD1 4Å; L372-N400 PolarHBondContact N-O 3.08Å; L372-I401 HydrophobicContact CB-CG2 4.41Å; L372-N404 PolarHBondContact O-ND2 2.98Å
373	S	98.4	Very high	96.4	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	155.4	-175.7	58	0	0	0	0	114.2	I349 N350 D371 N375 S402	I349-S373 WeakPolarHBondContact CA-O 3.37Å; N350-S373 PolarHBondContact N-O 3.29Å; N350-S373 VanDerWaalsContact N-O 3.09Å; D371-S373 WeakPolarHBondContact OD1-CB 3.37Å; D371-S373 PolarHBondContact OD1-N 3.1Å; D371-S373 PolarHBondContact OD1-OG 2.93Å; S373-N375 PolarHBondContact O-N 3.01Å; S373-N375 PolarHBondContact O-ND2 3.48Å; S373-S402 CarbonylContact C-O 3.57Å; S373-S402 WeakPolarHBondContact CA-O 3.49Å; S373-S402 WeakPolarHBondContact CB-O 3.44Å; S373-S402 WeakPolarHBondContact CB-OG 3.48Å
374	D	97.8	Very high	96.6	Very high	54 Å²	54	37.5 Å²	37.5	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	35.4	177.3	-64.7	-52.2	0	0	0	113.4	N350 S402 R429	N350-D374 VanDerWaalsContact CA-O 3.23Å; N350-D374 WeakPolarHBondContact CA-O 3.48Å; N350-D374 HydrophobicContact CB-CB 4.08Å; D374-S402 PolarHBondContact N-O 3.18Å; D374-R429 VanDerWaalsContact CG-NH1 3.26Å; D374-R429 IonicContact OD1-CZ 3.72Å; D374-R429 VanDerWaalsContact OD1-CZ 3.22Å; D374-R429 IonicContact OD1-NH1 2.78Å; D374-R429 PolarHBondContact OD1-NH1 2.98Å; D374-R429 IonicContact OD1-NH2 3.67Å; D374-R429 PolarHBondContact OD1-NH2 3.17Å; D374-R429 IonicContact OD2-CZ 3.02Å; D374-R429 VanDerWaalsContact OD2-CZ 3.29Å; D374-R429 IonicContact OD2-NH1 3.13Å; D374-R429 PolarHBondContact OD2-NH1 3.16Å; D374-R429 IonicContact OD2-NH2 2.77Å; D374-R429 PolarHBondContact OD2-NH2 3.44Å
375	N	97.8	Very high	96.8	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.027	20%	0.197	C	C	.	.	S	Bend	trans	-108.2	-163.8	178	-78.1	-58.9	0	0	0	111.6	V348 C351 G352 V353 L372 S373 N404	V348-N375 PolarHBondContact O-ND2 3.37Å; C351-N375 PolarHBondContact N-OD1 2.71Å; G352-N375 PolarHBondContact N-OD1 2.94Å; V353-N375 HydrophobicContact CB-CB 4.13Å; V353-N375 PolarHBondContact N-OD1 3.37Å; V353-N375 VanDerWaalsContact N-OD1 3.08Å; V353-N375 WeakPolarHBondContact O-CB 3.15Å; L372-N375 PolarHBondContact O-ND2 2.94Å; S373-N375 PolarHBondContact O-N 3.01Å; S373-N375 PolarHBondContact O-ND2 3.48Å; N375-N404 WeakPolarHBondContact CA-OD1 3.32Å; N375-N404 VanDerWaalsContact CB-OD1 3.3Å; N375-N404 WeakPolarHBondContact CB-OD1 3.31Å; N375-N404 PolarHBondContact N-OD1 3.2Å; N375-N404 PolarHBondContact O-OD1 3.48Å; N375-N404 VanDerWaalsContact O-OD1 3.08Å
376	L	96.9	Very high	97	Very high	104 Å²	104	35.1 Å²	35.1	55%	0.545	18%	0.183	S	C	.	.			trans	-109.2	24.9	-175.4	-56.3	177.1	0	0	0	112.3	V353 F354 T378 N404	V353-L376 CarbonylContact O-C 3.14Å; V353-L376 WeakPolarHBondContact O-CA 3.29Å; V353-L376 PolarHBondContact O-N 3.4Å; F354-L376 HydrophobicContact CB-CB 4.18Å; L376-T378 PolarHBondContact O-N 3.14Å; L376-N404 PolarHBondContact N-OD1 2.96Å
377	L	97.1	Very high	97.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.169	C	C	.	.			trans	-67.9	124.7	-179.4	-59.5	172.7	0	0	0	110.7	V353 L372 I401 N404 P405 L406	V353-L377 HydrophobicContact CG1-CD2 4.46Å; L372-L377 HydrophobicContact CB-CD1 3.85Å; L372-L377 HydrophobicContact CD1-CD1 4Å; L377-I401 HydrophobicContact CD1-CG2 4.46Å; L377-N404 HydrophobicContact CB-CB 4.04Å; L377-N404 VanDerWaalsContact CB-OD1 3.24Å; L377-N404 WeakPolarHBondContact CB-OD1 3.32Å; L377-N404 WeakPolarHBondContact CG-OD1 3.4Å; L377-N404 PolarHBondContact N-OD1 3.33Å; L377-P405 WeakPolarHBondContact O-CD 3.16Å; L377-P405 WeakPolarHBondContact O-CG 3.49Å; L377-L406 WeakPolarHBondContact O-CD2 3.27Å
378	T	96.3	Very high	97	Very high	59 Å²	59	38 Å²	38	36%	0.362	19%	0.194	S	C	.	.			trans	-100.2	175.3	173.4	64.9	0	0	0	0	109.9	L376 L380 T381 T382 P405	L376-T378 PolarHBondContact O-N 3.14Å; T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 3.02Å; T378-T381 PolarHBondContact N-OG1 3.05Å; T378-T381 PolarHBondContact O-N 2.96Å; T378-T381 PolarHBondContact O-OG1 2.6Å; T378-T381 PolarHBondContact OG1-N 2.92Å; T378-T381 PolarHBondContact OG1-OG1 3.03Å; T378-T382 VanDerWaalsContact O-CB 3.29Å; T378-T382 WeakPolarHBondContact O-CB 3.46Å; T378-T382 PolarHBondContact O-N 3.03Å; T378-T382 PolarHBondContact O-OG1 2.83Å; T378-P405 HydrophobicContact CG2-CG 4.42Å
379	D	94.9	Very high	96.6	Very high	43 Å²	43	35.3 Å²	35.3	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-55	-46.3	176.1	-72.4	-9.6	0	0	0	112	A383 L406 K407 S408 M411	D379-A383 PolarHBondContact O-N 2.92Å; D379-A383 VanDerWaalsContact O-N 3.13Å; D379-L406 WeakPolarHBondContact OD1-CA 3.48Å; D379-K407 PolarHBondContact OD1-N 3.38Å; D379-K407 WeakPolarHBondContact OD2-CB 3.33Å; D379-S408 PolarHBondContact OD1-N 3.04Å; D379-S408 WeakPolarHBondContact OD2-CB 2.98Å; D379-S408 PolarHBondContact OD2-N 3.08Å; D379-S408 VanDerWaalsContact OD2-N 3.1Å; D379-M411 VanDerWaalsContact C-CE 3.49Å; D379-M411 HydrophobicContact CB-CE 3.41Å; D379-M411 VanDerWaalsContact CB-CE 3.41Å; D379-M411 WeakPolarHBondContact O-CE 3.41Å
380	L	95.3	Very high	96.3	Very high	132 Å²	132	33.9 Å²	33.9	69%	0.691	19%	0.187	S	C	*	.	H	α-helix	trans	-66.7	-44.6	-179	-177.7	67.2	0	0	0	112.1	T378 A383 E384	T378-L380 VanDerWaalsContact C-N 3.31Å; T378-L380 PolarHBondContact O-N 3.02Å; L380-A383 WeakPolarHBondContact O-CB 3.44Å; L380-A383 PolarHBondContact O-N 2.78Å; L380-E384 PolarHBondContact O-N 3.04Å; L380-E384 VanDerWaalsContact O-N 3.14Å
381	T	97.1	Very high	95.8	Very high	27 Å²	27	38.2 Å²	38.2	17%	0.166	22%	0.216	C	C	.	.	H	α-helix	trans	-77.6	-25.4	-176.2	59.3	0	0	0	0	112.9	F354 V355 T378 E384 S385	F354-T381 WeakPolarHBondContact O-CB 3.09Å; F354-T381 WeakPolarHBondContact O-CG2 3.33Å; F354-T381 PolarHBondContact O-OG1 2.98Å; V355-T381 HydrophobicContact CB-CG2 4.16Å; V355-T381 HydrophobicContact CG2-CG2 4.4Å; T378-T381 PolarHBondContact N-OG1 3.05Å; T378-T381 PolarHBondContact O-N 2.96Å; T378-T381 PolarHBondContact O-OG1 2.6Å; T378-T381 PolarHBondContact OG1-N 2.92Å; T378-T381 PolarHBondContact OG1-OG1 3.03Å; T381-E384 PolarHBondContact O-N 3.25Å; T381-S385 WeakPolarHBondContact O-CB 3.21Å; T381-S385 PolarHBondContact O-N 3.22Å; T381-S385 PolarHBondContact O-OG 2.87Å
382	T	96.8	Very high	95.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-37.7	168.9	-53.9	0	0	0	0	111	T378 E384 S385 L386 I401 L406 I412 L415	T378-T382 VanDerWaalsContact O-CB 3.29Å; T378-T382 WeakPolarHBondContact O-CB 3.46Å; T378-T382 PolarHBondContact O-N 3.03Å; T378-T382 PolarHBondContact O-OG1 2.83Å; T382-E384 VanDerWaalsContact C-N 3.34Å; T382-E384 PolarHBondContact O-N 3.01Å; T382-S385 PolarHBondContact O-N 3.15Å; T382-S385 VanDerWaalsContact O-N 3.17Å; T382-L386 HydrophobicContact CG2-CD1 4.16Å; T382-L386 HydrophobicContact CG2-CG 4.47Å; T382-L386 PolarHBondContact O-N 2.81Å; T382-I401 HydrophobicContact CG2-CD1 4.16Å; T382-L406 VanDerWaalsContact OG1-CD2 3.32Å; T382-L406 WeakPolarHBondContact OG1-CD2 3.45Å; T382-I412 HydrophobicContact CG2-CD1 3.63Å; T382-L415 HydrophobicContact CG2-CD1 4.4Å
383	A	96.9	Very high	95.2	Very high	10 Å²	10	38.5 Å²	38.5	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-45.3	172.5	0	0	0	0	0	111.5	D379 L380 S385 L386 C387 H388 L415	D379-A383 PolarHBondContact O-N 2.92Å; D379-A383 VanDerWaalsContact O-N 3.13Å; L380-A383 WeakPolarHBondContact O-CB 3.44Å; L380-A383 PolarHBondContact O-N 2.78Å; A383-S385 PolarHBondContact O-N 3.48Å; A383-L386 CarbonylContact O-C 3.51Å; A383-L386 PolarHBondContact O-N 3.26Å; A383-C387 PolarHBondContact O-N 3.45Å; A383-H388 PolarHBondContact O-N 3.14Å; A383-L415 HydrophobicContact CB-CD1 4.08Å; A383-L415 HydrophobicContact CB-CD2 4.27Å
384	E	96.7	Very high	95	Very high	65 Å²	65	44.6 Å²	44.6	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-59.9	-44.4	171.8	177.6	57.6	-157.6	0	0	112	V355 C358 L380 T381 T382 L386 C387 H388	V355-E384 HydrophobicContact CG2-CB 3.95Å; V355-E384 HydrophobicContact CG2-CG 3.64Å; C358-E384 WeakPolarHBondContact CB-O 3.36Å; C358-E384 VanDerWaalsContact CB-OE1 3.28Å; C358-E384 WeakPolarHBondContact CB-OE1 3.23Å; C358-E384 PolarHBondContact N-OE1 2.95Å; L380-E384 PolarHBondContact O-N 3.04Å; L380-E384 VanDerWaalsContact O-N 3.14Å; T381-E384 PolarHBondContact O-N 3.25Å; T382-E384 VanDerWaalsContact C-N 3.34Å; T382-E384 PolarHBondContact O-N 3.01Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.17Å; E384-C387 PolarHBondContact O-N 2.96Å; E384-H388 IonicContact OE2-NE2 3.49Å; E384-H388 PolarHBondContact OE2-NE2 3.5Å
385	S	96.1	Very high	94.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-33.6	-179.7	-55	0	0	0	0	113.9	M356 S361 T381 T382 A383 C387	M356-S385 VanDerWaalsContact CE-O 3.32Å; M356-S385 WeakPolarHBondContact CE-O 3.43Å; M356-S385 PolarHBondContact N-OG 2.86Å; M356-S385 WeakPolarHBondContact O-CA 3.35Å; M356-S385 PolarHBondContact O-OG 2.76Å; S361-S385 PolarHBondContact OG-O 3.24Å; T381-S385 WeakPolarHBondContact O-CB 3.21Å; T381-S385 PolarHBondContact O-N 3.22Å; T381-S385 PolarHBondContact O-OG 2.87Å; T382-S385 PolarHBondContact O-N 3.15Å; T382-S385 VanDerWaalsContact O-N 3.17Å; A383-S385 PolarHBondContact O-N 3.48Å; S385-C387 VanDerWaalsContact C-N 3.34Å
386	L	96.4	Very high	94.9	Very high	9 Å²	9	44.5 Å²	44.5	5%	0.047	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	21.5	174.8	-58.9	179	0	0	0	112.2	T382 A383 E384 H388 G389 L393 L399 L415 V416	T382-L386 HydrophobicContact CG2-CD1 4.16Å; T382-L386 HydrophobicContact CG2-CG 4.47Å; T382-L386 PolarHBondContact O-N 2.81Å; A383-L386 CarbonylContact O-C 3.51Å; A383-L386 PolarHBondContact O-N 3.26Å; E384-L386 VanDerWaalsContact C-N 3.3Å; E384-L386 PolarHBondContact O-N 3.17Å; L386-H388 PolarHBondContact O-N 3.21Å; L386-H388 VanDerWaalsContact O-N 3.15Å; L386-G389 PolarHBondContact O-N 2.99Å; L386-L393 HydrophobicContact CD2-CD1 4.11Å; L386-L399 HydrophobicContact CD1-CD2 4.25Å; L386-L399 HydrophobicContact CD2-CD2 4.25Å; L386-L415 HydrophobicContact CB-CB 4.3Å; L386-L415 HydrophobicContact CB-CD1 4.27Å; L386-L415 HydrophobicContact CD1-CB 3.87Å; L386-L415 HydrophobicContact CD1-CD1 4Å; L386-V416 HydrophobicContact CD1-CG1 4.16Å
387	C	95.8	Very high	95	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.041	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	50.6	39	177	-72.7	0	0	0	0	114.2	C358 A383 E384 S385 G389 A390 T392	C358-C387 WeakPolarHBondContact CA-SG 3.28Å; C358-C387 HydrophobicContact CB-CB 4.06Å; C358-C387 WeakPolarHBondContact CB-SG 3.44Å; C358-C387 PolarHBondContact O-SG 2.76Å; C358-C387 VanDerWaalsContact SG-CA 3.57Å; C358-C387 WeakPolarHBondContact SG-CB 3.47Å; C358-C387 CovalentContact SG-SG 2.04Å; C358-C387 PolarHBondContact SG-SG 3.17Å; A383-C387 PolarHBondContact O-N 3.45Å; E384-C387 PolarHBondContact O-N 2.96Å; S385-C387 VanDerWaalsContact C-N 3.34Å; C387-G389 PolarHBondContact O-N 3.14Å; C387-G389 VanDerWaalsContact O-N 3.08Å; C387-A390 HydrophobicContact CB-CB 3.95Å; C387-A390 WeakPolarHBondContact O-CB 3.36Å; C387-A390 PolarHBondContact O-N 3.13Å; C387-T392 HydrophobicContact CB-CG2 4.03Å
388	H	94.7	Very high	95	Very high	115 Å²	115	46.3 Å²	46.3	53%	0.532	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	52.2	30.5	-177.1	-60.6	-79.3	0	0	0	113.8	A383 E384 L386 A390	A383-H388 PolarHBondContact O-N 3.14Å; E384-H388 IonicContact OE2-NE2 3.49Å; E384-H388 PolarHBondContact OE2-NE2 3.5Å; L386-H388 PolarHBondContact O-N 3.21Å; L386-H388 VanDerWaalsContact O-N 3.15Å; H388-A390 VanDerWaalsContact C-N 3.35Å
389	G	90.3	Very high	95.1	Very high	8 Å²	8	43.5 Å²	43.5	8%	0.082	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	81.1	9.8	-177.8	0	0	0	0	0	114.3	L386 C387 N418	L386-G389 PolarHBondContact O-N 2.99Å; C387-G389 PolarHBondContact O-N 3.14Å; C387-G389 VanDerWaalsContact O-N 3.08Å; G389-N418 PolarHBondContact O-ND2 3.22Å
390	A	92.1	Very high	95.3	Very high	44 Å²	44	42.5 Å²	42.5	36%	0.364	22%	0.222	S	C	.	.			trans	-59.5	153.7	170.5	0	0	0	0	0	110.9	C387 H388 T392	C387-A390 HydrophobicContact CB-CB 3.95Å; C387-A390 WeakPolarHBondContact O-CB 3.36Å; C387-A390 PolarHBondContact O-N 3.13Å; H388-A390 VanDerWaalsContact C-N 3.35Å; A390-T392 PolarHBondContact O-N 2.81Å; A390-T392 PolarHBondContact O-OG1 2.78Å
391	P	87.3	Confident	95.4	Very high	92 Å²	92	36.3 Å²	36.3	60%	0.597	19%	0.19	S	C	*	.	S	Bend	trans	-73.6	65.3	-175.7	32.1	-37.6	0	0	0	112.7	K394	P391-K394 WeakPolarHBondContact O-CE 3.48Å
392	T	91.1	Very high	95.5	Very high	19 Å²	19	35.1 Å²	35.1	12%	0.117	18%	0.183	C	C	.	.			trans	-106.3	169.9	172.9	60.5	0	0	0	0	109.5	K362 C387 A390 K394 L419	K362-T392 HydrophobicContact CG-CG2 3.86Å; C387-T392 HydrophobicContact CB-CG2 4.03Å; A390-T392 PolarHBondContact O-N 2.81Å; A390-T392 PolarHBondContact O-OG1 2.78Å; T392-K394 PolarHBondContact O-N 3.05Å; T392-K394 VanDerWaalsContact O-N 3.16Å; T392-L419 WeakPolarHBondContact O-CD2 3.48Å
393	L	94.1	Very high	95.5	Very high	5 Å²	5	36 Å²	36	3%	0.026	19%	0.192	C	C	.	.			trans	52.7	39.8	178.3	-53.7	175.7	0	0	0	113.6	S361 L364 L367 L370 L386 E395 L396 L419	S361-L393 WeakPolarHBondContact O-CD2 3.41Å; L364-L393 HydrophobicContact CB-CD2 3.77Å; L367-L393 HydrophobicContact CB-CD2 4.5Å; L367-L393 HydrophobicContact CD2-CD2 3.96Å; L370-L393 HydrophobicContact CD2-CD1 4.42Å; L386-L393 HydrophobicContact CD2-CD1 4.11Å; L393-E395 PolarHBondContact O-N 3.06Å; L393-E395 VanDerWaalsContact O-N 3.14Å; L393-L396 HydrophobicContact CB-CB 4.15Å; L393-L396 HydrophobicContact CB-CD2 4.41Å; L393-L396 HydrophobicContact CD1-CD2 4.36Å; L393-L396 WeakPolarHBondContact O-CB 3.39Å; L393-L396 PolarHBondContact O-N 3.17Å; L393-L419 HydrophobicContact CB-CD2 4.08Å
394	K	93	Very high	95.5	Very high	133 Å²	133	35.6 Å²	35.6	58%	0.578	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.6	-169.8	-64.1	-178.3	-178.4	178.2	0	114.2	P391 T392 L396	P391-K394 WeakPolarHBondContact O-CE 3.48Å; T392-K394 PolarHBondContact O-N 3.05Å; T392-K394 VanDerWaalsContact O-N 3.16Å; K394-L396 VanDerWaalsContact C-N 3.34Å
395	E	96.1	Very high	95.5	Very high	57 Å²	57	34.8 Å²	34.8	27%	0.266	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-3.1	179.5	-64.8	-56.1	128.3	0	0	113.4	L367 Q368 L393 R397 K421	L367-E395 CarbonylContact O-C 3.18Å; L367-E395 WeakPolarHBondContact O-CB 3.29Å; Q368-E395 HydrophobicContact CG-CB 4.32Å; L393-E395 PolarHBondContact O-N 3.06Å; L393-E395 VanDerWaalsContact O-N 3.14Å; E395-R397 PolarHBondContact O-N 2.95Å; E395-K421 IonicContact OE1-NZ 2.68Å; E395-K421 PolarHBondContact OE1-NZ 3.46Å; E395-K421 IonicContact OE2-NZ 2.77Å; E395-K421 PolarHBondContact OE2-NZ 2.87Å
396	L	97.8	Very high	95.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.188	C	C	.	.			trans	-66.8	125.7	-172.6	-164.3	72.1	0	0	0	111.4	L367 L370 L393 K394 V398 L399 L419 K421 L422	L367-L396 HydrophobicContact CD2-CD1 4.06Å; L367-L396 HydrophobicContact CG-CD1 4.03Å; L367-L396 WeakPolarHBondContact O-CA 3.38Å; L367-L396 PolarHBondContact O-N 3.07Å; L367-L396 VanDerWaalsContact O-N 3.09Å; L370-L396 HydrophobicContact CB-CD1 3.72Å; L393-L396 HydrophobicContact CB-CB 4.15Å; L393-L396 HydrophobicContact CB-CD2 4.41Å; L393-L396 HydrophobicContact CD1-CD2 4.36Å; L393-L396 WeakPolarHBondContact O-CB 3.39Å; L393-L396 PolarHBondContact O-N 3.17Å; K394-L396 VanDerWaalsContact C-N 3.34Å; L396-V398 WeakPolarHBondContact CD1-O 3.17Å; L396-L399 HydrophobicContact CD2-CB 4.05Å; L396-L399 HydrophobicContact CD2-CD1 4.28Å; L396-L419 HydrophobicContact CD2-CD1 4.13Å; L396-K421 CarbonylContact O-C 3.38Å; L396-L422 HydrophobicContact CD2-CD1 4.34Å; L396-L422 HydrophobicContact CG-CD1 4.34Å; L396-L422 WeakPolarHBondContact O-CA 3.09Å; L396-L422 PolarHBondContact O-N 3.21Å; L396-L422 VanDerWaalsContact O-N 3.14Å
397	R	98.5	Very high	95.3	Very high	106 Å²	106	41 Å²	41	40%	0.4	22%	0.215	S	C	.	.			trans	-111.9	-33.4	-179.6	-64.6	175.1	-175.5	-94	1.1	112.2	Q368 E395 K421 T423 H424	Q368-R397 WeakPolarHBondContact O-CA 3.48Å; Q368-R397 PolarHBondContact O-N 2.97Å; E395-R397 PolarHBondContact O-N 2.95Å; R397-K421 WeakPolarHBondContact CA-O 3.22Å; R397-K421 HydrophobicContact CG-CB 4.46Å; R397-T423 PolarHBondContact O-N 3.02Å; R397-T423 PolarHBondContact O-OG1 3.29Å; R397-H424 PolarHBondContact O-N 2.87Å
398	V	98.8	Very high	95.2	Very high	36 Å²	36	42.3 Å²	42.3	22%	0.218	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.2	-179.2	-174.5	0	0	0	0	109.1	Q368 Y369 L370 L396 H424	Q368-V398 PolarHBondContact O-N 3.4Å; Y369-V398 HydrophobicContact CD2-CB 3.5Å; Y369-V398 HydrophobicContact CD2-CG1 3.58Å; Y369-V398 HydrophobicContact CD2-CG2 3.93Å; Y369-V398 HydrophobicContact CE2-CB 4.04Å; Y369-V398 HydrophobicContact CE2-CG1 3.54Å; Y369-V398 HydrophobicContact CG-CB 4.27Å; L370-V398 PolarHBondContact N-O 3.33Å; L396-V398 WeakPolarHBondContact CD1-O 3.17Å; V398-H424 WeakPolarHBondContact CA-O 3.33Å; V398-H424 HydrophobicContact CB-CB 4.3Å; V398-H424 HydrophobicContact CG1-CB 4.01Å; V398-H424 HydrophobicContact CG2-CB 4.03Å
399	L	98.6	Very high	95.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.7	172.3	178.2	60.4	0	0	0	109.1	L370 L386 L396 I401 V416 L422 H424 L425 D426	L370-L399 HydrophobicContact CB-CD1 4.08Å; L370-L399 HydrophobicContact CD2-CD1 3.92Å; L370-L399 HydrophobicContact CG-CD1 4.06Å; L370-L399 CarbonylContact O-C 3.47Å; L370-L399 WeakPolarHBondContact O-CA 3.28Å; L386-L399 HydrophobicContact CD1-CD2 4.25Å; L386-L399 HydrophobicContact CD2-CD2 4.25Å; L396-L399 HydrophobicContact CD2-CB 4.05Å; L396-L399 HydrophobicContact CD2-CD1 4.28Å; L399-I401 HydrophobicContact CD1-CG2 3.83Å; L399-I401 HydrophobicContact CG-CG2 4.17Å; L399-V416 HydrophobicContact CD2-CG1 4.02Å; L399-L422 HydrophobicContact CB-CD1 3.83Å; L399-H424 PolarHBondContact N-O 3.26Å; L399-L425 HydrophobicContact CB-CD1 3.95Å; L399-L425 HydrophobicContact CD2-CD1 3.87Å; L399-L425 HydrophobicContact CG-CD1 3.95Å; L399-L425 WeakPolarHBondContact O-CA 3.42Å; L399-D426 PolarHBondContact O-N 3.18Å
400	N	98.7	Very high	95.3	Very high	21 Å²	21	39.4 Å²	39.4	11%	0.112	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.1	171.8	-178	5.4	0	0	0	109.1	L370 D371 L372 S402 D426	L370-N400 PolarHBondContact O-N 2.79Å; D371-N400 HydrophobicContact CB-CB 4.16Å; D371-N400 VanDerWaalsContact CG-ND2 3.3Å; D371-N400 PolarHBondContact OD1-ND2 3.19Å; D371-N400 PolarHBondContact OD2-ND2 3Å; L372-N400 PolarHBondContact N-O 3.08Å; N400-S402 VanDerWaalsContact OD1-CB 3.24Å; N400-S402 WeakPolarHBondContact OD1-CB 3.32Å; N400-S402 PolarHBondContact OD1-N 3.05Å; N400-S402 PolarHBondContact OD1-OG 3.24Å; N400-D426 HydrophobicContact CB-CB 4.21Å
401	I	97.5	Very high	95.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.015	21%	0.207	C	C	.	.			trans	-125.4	24.6	173.1	59.7	178.9	0	0	0	110.5	L372 L377 T382 L399 N404 L406 I412 D426 I427	L372-I401 HydrophobicContact CB-CG2 4.41Å; L377-I401 HydrophobicContact CD1-CG2 4.46Å; T382-I401 HydrophobicContact CG2-CD1 4.16Å; L399-I401 HydrophobicContact CD1-CG2 3.83Å; L399-I401 HydrophobicContact CG-CG2 4.17Å; I401-N404 WeakPolarHBondContact O-CB 3.45Å; I401-N404 PolarHBondContact O-ND2 2.84Å; I401-L406 HydrophobicContact CD1-CD1 3.69Å; I401-L406 HydrophobicContact CG1-CD1 4.03Å; I401-I412 HydrophobicContact CD1-CD1 3.98Å; I401-I412 HydrophobicContact CD1-CG2 4.47Å; I401-D426 PolarHBondContact N-O 2.95Å; I401-I427 HydrophobicContact CD1-CG2 3.89Å; I401-I427 HydrophobicContact CG1-CG2 3.68Å
402	S	98.1	Very high	95.8	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.014	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	156.4	179.7	66.6	0	0	0	0	112.7	S373 D374 N400 N404 D426 S428 R429	S373-S402 CarbonylContact C-O 3.57Å; S373-S402 WeakPolarHBondContact CA-O 3.49Å; S373-S402 WeakPolarHBondContact CB-O 3.44Å; S373-S402 WeakPolarHBondContact CB-OG 3.48Å; D374-S402 PolarHBondContact N-O 3.18Å; N400-S402 VanDerWaalsContact OD1-CB 3.24Å; N400-S402 WeakPolarHBondContact OD1-CB 3.32Å; N400-S402 PolarHBondContact OD1-N 3.05Å; N400-S402 PolarHBondContact OD1-OG 3.24Å; S402-N404 PolarHBondContact O-N 3.24Å; S402-N404 PolarHBondContact O-ND2 3.43Å; S402-D426 WeakPolarHBondContact CB-OD1 3.41Å; S402-D426 PolarHBondContact N-O 2.93Å; S402-S428 CarbonylContact C-O 3.49Å; S402-S428 WeakPolarHBondContact CA-O 3.46Å; S402-S428 VanDerWaalsContact CB-O 3.24Å; S402-S428 WeakPolarHBondContact CB-O 3.44Å; S402-S428 WeakPolarHBondContact CB-OG 3.44Å; S402-R429 PolarHBondContact OG-NH2 3.06Å; S402-R429 VanDerWaalsContact OG-NH2 3.09Å
403	G	97.4	Very high	96	Very high	20 Å²	20	34.1 Å²	34.1	21%	0.206	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	7.4	177.2	0	0	0	0	0	114.7	S428 R429	G403-S428 PolarHBondContact N-O 3.01Å; G403-R429 WeakPolarHBondContact CA-O 3.29Å
404	N	97.6	Very high	96.1	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	20%	0.2	C	C	.	.	S	Bend	trans	-93.8	150.3	174.3	-74	-83.6	0	0	0	111.2	L372 N375 L376 L377 I401 S402 L406	L372-N404 PolarHBondContact O-ND2 2.98Å; N375-N404 WeakPolarHBondContact CA-OD1 3.32Å; N375-N404 VanDerWaalsContact CB-OD1 3.3Å; N375-N404 WeakPolarHBondContact CB-OD1 3.31Å; N375-N404 PolarHBondContact N-OD1 3.2Å; N375-N404 PolarHBondContact O-OD1 3.48Å; N375-N404 VanDerWaalsContact O-OD1 3.08Å; L376-N404 PolarHBondContact N-OD1 2.96Å; L377-N404 HydrophobicContact CB-CB 4.04Å; L377-N404 VanDerWaalsContact CB-OD1 3.24Å; L377-N404 WeakPolarHBondContact CB-OD1 3.32Å; L377-N404 WeakPolarHBondContact CG-OD1 3.4Å; L377-N404 PolarHBondContact N-OD1 3.33Å; I401-N404 WeakPolarHBondContact O-CB 3.45Å; I401-N404 PolarHBondContact O-ND2 2.84Å; S402-N404 PolarHBondContact O-N 3.24Å; S402-N404 PolarHBondContact O-ND2 3.43Å; N404-L406 HydrophobicContact CB-CD2 4.44Å; N404-L406 HydrophobicContact CB-CG 4.07Å; N404-L406 PolarHBondContact O-N 3.02Å
405	P	95.4	Very high	96.2	Very high	47 Å²	47	33.6 Å²	33.6	31%	0.305	17%	0.174	S	C	.	.			trans	-74.5	50.4	-177.8	32	-38.8	0	0	0	114.5	L377 T378 L431	L377-P405 WeakPolarHBondContact O-CD 3.16Å; L377-P405 WeakPolarHBondContact O-CG 3.49Å; T378-P405 HydrophobicContact CG2-CG 4.42Å; P405-L431 HydrophobicContact CB-CD1 3.95Å
406	L	94.6	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.			trans	-76.9	140.9	179.7	-53.8	178	0	0	0	111.7	L377 D379 T382 I401 N404 I412 T430 L431 Y432	L377-L406 WeakPolarHBondContact O-CD2 3.27Å; D379-L406 WeakPolarHBondContact OD1-CA 3.48Å; T382-L406 VanDerWaalsContact OG1-CD2 3.32Å; T382-L406 WeakPolarHBondContact OG1-CD2 3.45Å; I401-L406 HydrophobicContact CD1-CD1 3.69Å; I401-L406 HydrophobicContact CG1-CD1 4.03Å; N404-L406 HydrophobicContact CB-CD2 4.44Å; N404-L406 HydrophobicContact CB-CG 4.07Å; N404-L406 PolarHBondContact O-N 3.02Å; L406-I412 HydrophobicContact CD1-CD1 4.18Å; L406-I412 HydrophobicContact CD1-CG1 4.38Å; L406-T430 HydrophobicContact CB-CG2 3.94Å; L406-T430 HydrophobicContact CD1-CG2 3.96Å; L406-T430 HydrophobicContact CG-CG2 4.16Å; L406-L431 CarbonylContact O-C 3.6Å; L406-L431 WeakPolarHBondContact O-CA 3.2Å; L406-L431 WeakPolarHBondContact O-CB 3.13Å; L406-L431 PolarHBondContact O-N 3.44Å; L406-Y432 HydrophobicContact CB-CE1 4.01Å
407	K	93.6	Very high	96.1	Very high	144 Å²	144	32.8 Å²	32.8	63%	0.626	17%	0.173	S	C	*	.			trans	-121.9	-24	-177.1	-60.9	179.3	-177	176.1	0	113.6	D379 L431 Y432	D379-K407 PolarHBondContact OD1-N 3.38Å; D379-K407 WeakPolarHBondContact OD2-CB 3.33Å; K407-L431 HydrophobicContact CG-CB 4.4Å; K407-Y432 WeakPolarHBondContact O-CD1 3.14Å
408	S	93.4	Very high	95.8	Very high	33 Å²	33	31.8 Å²	31.8	23%	0.231	18%	0.176	C	C	.	.			trans	-112.1	101.7	-175.5	-174.7	0	0	0	0	113.3	D379 S410 M411 I412	D379-S408 PolarHBondContact OD1-N 3.04Å; D379-S408 WeakPolarHBondContact OD2-CB 2.98Å; D379-S408 PolarHBondContact OD2-N 3.08Å; D379-S408 VanDerWaalsContact OD2-N 3.1Å; S408-S410 PolarHBondContact OG-OG 3.31Å; S408-M411 WeakPolarHBondContact OG-CB 3.32Å; S408-M411 PolarHBondContact OG-N 2.81Å; S408-I412 PolarHBondContact O-N 2.89Å
409	L	94.6	Very high	95.6	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-35.5	174.9	-178.1	61.6	0	0	0	112.3	M411 I412 S413 I427 Y432 M435 W441 I450	L409-M411 VanDerWaalsContact C-N 3.33Å; L409-M411 PolarHBondContact O-N 3.48Å; L409-I412 PolarHBondContact O-N 3.32Å; L409-S413 PolarHBondContact O-N 3.03Å; L409-I427 HydrophobicContact CD1-CD1 3.37Å; L409-Y432 HydrophobicContact CB-CD1 4.18Å; L409-Y432 HydrophobicContact CB-CE1 4.1Å; L409-Y432 HydrophobicContact CB-CG 4.45Å; L409-Y432 HydrophobicContact CD1-CE2 4.04Å; L409-M435 HydrophobicContact CD2-CE 4.09Å; L409-M435 HydrophobicContact CD2-CG 3.89Å; L409-W441 HydrophobicContact CD1-CH2 3.84Å; L409-W441 HydrophobicContact CD1-CZ2 4.03Å; L409-W441 HydrophobicContact CG-CZ2 4.44Å; L409-I450 HydrophobicContact CD2-CD1 4.44Å
410	S	93.4	Very high	95.4	Very high	58 Å²	58	36.6 Å²	36.6	41%	0.406	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-42	178.5	54.4	0	0	0	0	111.4	S408 S413 H414	S408-S410 PolarHBondContact OG-OG 3.31Å; S410-S413 PolarHBondContact O-N 3.21Å; S410-S413 PolarHBondContact O-OG 2.9Å; S410-H414 PolarHBondContact O-N 3.1Å
411	M	94.3	Very high	95.3	Very high	39 Å²	39	39.4 Å²	39.4	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-49.6	176.4	-179.8	-82.5	-78.9	0	0	111	D379 S408 L409 S413 H414 L415	D379-M411 VanDerWaalsContact C-CE 3.49Å; D379-M411 HydrophobicContact CB-CE 3.41Å; D379-M411 VanDerWaalsContact CB-CE 3.41Å; D379-M411 WeakPolarHBondContact O-CE 3.41Å; S408-M411 WeakPolarHBondContact OG-CB 3.32Å; S408-M411 PolarHBondContact OG-N 2.81Å; L409-M411 VanDerWaalsContact C-N 3.33Å; L409-M411 PolarHBondContact O-N 3.48Å; M411-S413 VanDerWaalsContact C-N 3.31Å; M411-S413 PolarHBondContact O-N 2.82Å; M411-H414 WeakPolarHBondContact O-CB 3.37Å; M411-H414 PolarHBondContact O-N 3.18Å; M411-H414 VanDerWaalsContact O-N 3.12Å; M411-L415 HydrophobicContact CE-CD1 4.46Å; M411-L415 WeakPolarHBondContact O-CG 3.35Å; M411-L415 PolarHBondContact O-N 3.27Å; M411-L415 HydrophobicContact SD-CD1 3.17Å; M411-L415 WeakPolarHBondContact SD-CD1 3.48Å; M411-L415 HydrophobicContact SD-CG 3.71Å
412	I	95.5	Very high	95.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-44.7	178.7	-65.4	-61	0	0	0	111.2	T382 I401 L406 S408 L409 H414 L415 V416 I427	T382-I412 HydrophobicContact CG2-CD1 3.63Å; I401-I412 HydrophobicContact CD1-CD1 3.98Å; I401-I412 HydrophobicContact CD1-CG2 4.47Å; L406-I412 HydrophobicContact CD1-CD1 4.18Å; L406-I412 HydrophobicContact CD1-CG1 4.38Å; S408-I412 PolarHBondContact O-N 2.89Å; L409-I412 PolarHBondContact O-N 3.32Å; I412-H414 VanDerWaalsContact C-N 3.29Å; I412-H414 PolarHBondContact O-N 2.91Å; I412-L415 HydrophobicContact CD1-CD1 4.47Å; I412-L415 PolarHBondContact O-N 3.19Å; I412-V416 WeakPolarHBondContact O-CG2 3.43Å; I412-V416 PolarHBondContact O-N 3.37Å; I412-V416 VanDerWaalsContact O-N 3.11Å; I412-I427 HydrophobicContact CG2-CG2 4.13Å
413	S	95.8	Very high	95.4	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-55.6	-46.4	176.6	80.2	0	0	0	0	111.4	L409 S410 M411 L415 V416 T417 S440	L409-S413 PolarHBondContact O-N 3.03Å; S410-S413 PolarHBondContact O-N 3.21Å; S410-S413 PolarHBondContact O-OG 2.9Å; M411-S413 VanDerWaalsContact C-N 3.31Å; M411-S413 PolarHBondContact O-N 2.82Å; S413-L415 PolarHBondContact O-N 3.42Å; S413-V416 WeakPolarHBondContact O-CG2 3.2Å; S413-V416 PolarHBondContact O-N 2.96Å; S413-T417 PolarHBondContact O-N 2.8Å; S413-T417 PolarHBondContact O-OG1 3.1Å; S413-S440 CarbonylContact C-O 3.58Å; S413-S440 WeakPolarHBondContact CA-O 3.48Å; S413-S440 WeakPolarHBondContact CB-O 3.14Å; S413-S440 PolarHBondContact OG-N 2.71Å
414	H	95.1	Very high	95.4	Very high	119 Å²	119	43.2 Å²	43.2	55%	0.551	23%	0.225	S	C	*	.	H	α-helix	trans	-62.5	-44.9	178.2	-174.6	64.1	0	0	0	112.7	S410 M411 I412 V416 T417	S410-H414 PolarHBondContact O-N 3.1Å; M411-H414 WeakPolarHBondContact O-CB 3.37Å; M411-H414 PolarHBondContact O-N 3.18Å; M411-H414 VanDerWaalsContact O-N 3.12Å; I412-H414 VanDerWaalsContact C-N 3.29Å; I412-H414 PolarHBondContact O-N 2.91Å; H414-V416 VanDerWaalsContact C-N 3.33Å; H414-V416 PolarHBondContact O-N 2.94Å; H414-T417 WeakPolarHBondContact O-CB 3.4Å; H414-T417 PolarHBondContact O-N 3.42Å; H414-T417 PolarHBondContact O-OG1 3.25Å
415	L	96.1	Very high	95.5	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-39.8	-179.6	-68.9	-179	0	0	0	112.8	T382 A383 L386 M411 I412 S413 T417	T382-L415 HydrophobicContact CG2-CD1 4.4Å; A383-L415 HydrophobicContact CB-CD1 4.08Å; A383-L415 HydrophobicContact CB-CD2 4.27Å; L386-L415 HydrophobicContact CB-CB 4.3Å; L386-L415 HydrophobicContact CB-CD1 4.27Å; L386-L415 HydrophobicContact CD1-CB 3.87Å; L386-L415 HydrophobicContact CD1-CD1 4Å; M411-L415 HydrophobicContact CE-CD1 4.46Å; M411-L415 WeakPolarHBondContact O-CG 3.35Å; M411-L415 PolarHBondContact O-N 3.27Å; M411-L415 HydrophobicContact SD-CD1 3.17Å; M411-L415 WeakPolarHBondContact SD-CD1 3.48Å; M411-L415 HydrophobicContact SD-CG 3.71Å; I412-L415 HydrophobicContact CD1-CD1 4.47Å; I412-L415 PolarHBondContact O-N 3.19Å; S413-L415 PolarHBondContact O-N 3.42Å; L415-T417 VanDerWaalsContact C-N 3.32Å
416	V	96.4	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-84	-6.4	-177.2	-56.9	0	0	0	0	113.5	L386 L399 I412 S413 H414 N418 L419 L422 L425 W441	L386-V416 HydrophobicContact CD1-CG1 4.16Å; L399-V416 HydrophobicContact CD2-CG1 4.02Å; I412-V416 WeakPolarHBondContact O-CG2 3.43Å; I412-V416 PolarHBondContact O-N 3.37Å; I412-V416 VanDerWaalsContact O-N 3.11Å; S413-V416 WeakPolarHBondContact O-CG2 3.2Å; S413-V416 PolarHBondContact O-N 2.96Å; H414-V416 VanDerWaalsContact C-N 3.33Å; H414-V416 PolarHBondContact O-N 2.94Å; V416-N418 PolarHBondContact O-N 2.83Å; V416-L419 HydrophobicContact CB-CD1 4Å; V416-L419 HydrophobicContact CG1-CD1 4.04Å; V416-L419 WeakPolarHBondContact O-CB 3.36Å; V416-L419 PolarHBondContact O-N 3.31Å; V416-L422 HydrophobicContact CB-CD2 3.94Å; V416-L422 HydrophobicContact CG1-CD2 4.33Å; V416-L422 HydrophobicContact CG2-CD2 4.43Å; V416-L425 HydrophobicContact CG2-CD2 4.32Å; V416-W441 HydrophobicContact CG2-CE3 3.73Å; V416-W441 HydrophobicContact CG2-CZ3 3.82Å
417	T	94.5	Very high	95.8	Very high	40 Å²	40	42.1 Å²	42.1	25%	0.245	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.9	-176	-64.2	0	0	0	0	112.3	S413 H414 L415 L419 S440	S413-T417 PolarHBondContact O-N 2.8Å; S413-T417 PolarHBondContact O-OG1 3.1Å; H414-T417 WeakPolarHBondContact O-CB 3.4Å; H414-T417 PolarHBondContact O-N 3.42Å; H414-T417 PolarHBondContact O-OG1 3.25Å; L415-T417 VanDerWaalsContact C-N 3.32Å; T417-L419 VanDerWaalsContact C-N 3.33Å; T417-L419 PolarHBondContact O-N 3.16Å; T417-S440 WeakPolarHBondContact OG1-CB 3.42Å; T417-S440 PolarHBondContact OG1-O 2.8Å; T417-S440 VanDerWaalsContact OG1-O 3.13Å
418	N	91.8	Very high	96	Very high	86 Å²	86	35.5 Å²	35.5	46%	0.46	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	0.8	-178.8	-70.2	-31.3	0	0	0	114.1	G389 V416 L420	G389-N418 PolarHBondContact O-ND2 3.22Å; V416-N418 PolarHBondContact O-N 2.83Å; N418-L420 VanDerWaalsContact C-N 3.34Å; N418-L420 PolarHBondContact O-N 3.35Å; N418-L420 VanDerWaalsContact O-N 3.09Å
419	L	95.4	Very high	96.1	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	20%	0.195	C	C	.	.			trans	-84.6	78	175.5	-57.9	177.6	0	0	0	109.7	T392 L393 L396 V416 T417 K421 L422	T392-L419 WeakPolarHBondContact O-CD2 3.48Å; L393-L419 HydrophobicContact CB-CD2 4.08Å; L396-L419 HydrophobicContact CD2-CD1 4.13Å; V416-L419 HydrophobicContact CB-CD1 4Å; V416-L419 HydrophobicContact CG1-CD1 4.04Å; V416-L419 WeakPolarHBondContact O-CB 3.36Å; V416-L419 PolarHBondContact O-N 3.31Å; T417-L419 VanDerWaalsContact C-N 3.33Å; T417-L419 PolarHBondContact O-N 3.16Å; L419-K421 PolarHBondContact O-N 2.94Å; L419-L422 HydrophobicContact CB-CB 3.85Å; L419-L422 HydrophobicContact CB-CD2 4.43Å; L419-L422 HydrophobicContact CD1-CD2 4.22Å; L419-L422 VanDerWaalsContact O-CB 3.25Å; L419-L422 WeakPolarHBondContact O-CB 3.35Å; L419-L422 PolarHBondContact O-N 2.77Å
420	L	94.4	Very high	96.1	Very high	129 Å²	129	38.6 Å²	38.6	68%	0.675	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.8	-167.5	-56.6	-179.6	0	0	0	114.8	N418 T444	N418-L420 VanDerWaalsContact C-N 3.34Å; N418-L420 PolarHBondContact O-N 3.35Å; N418-L420 VanDerWaalsContact O-N 3.09Å; L420-T444 WeakPolarHBondContact O-CG2 3.3Å; L420-T444 PolarHBondContact O-OG1 3.17Å
421	K	97.4	Very high	95.9	Very high	80 Å²	80	40 Å²	40	35%	0.348	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	0.5	178.3	-72	179.1	173.2	172.8	0	113.7	E395 L396 R397 L419 T423	E395-K421 IonicContact OE1-NZ 2.68Å; E395-K421 PolarHBondContact OE1-NZ 3.46Å; E395-K421 IonicContact OE2-NZ 2.77Å; E395-K421 PolarHBondContact OE2-NZ 2.87Å; L396-K421 CarbonylContact O-C 3.38Å; R397-K421 WeakPolarHBondContact CA-O 3.22Å; R397-K421 HydrophobicContact CG-CB 4.46Å; L419-K421 PolarHBondContact O-N 2.94Å; K421-T423 PolarHBondContact O-N 3.09Å
422	L	98	Very high	95.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.			trans	-68.6	120.8	-175.7	-168.7	74.4	0	0	0	110.6	L396 L399 V416 L419 L425 P442 T444 L445	L396-L422 HydrophobicContact CD2-CD1 4.34Å; L396-L422 HydrophobicContact CG-CD1 4.34Å; L396-L422 WeakPolarHBondContact O-CA 3.09Å; L396-L422 PolarHBondContact O-N 3.21Å; L396-L422 VanDerWaalsContact O-N 3.14Å; L399-L422 HydrophobicContact CB-CD1 3.83Å; V416-L422 HydrophobicContact CB-CD2 3.94Å; V416-L422 HydrophobicContact CG1-CD2 4.33Å; V416-L422 HydrophobicContact CG2-CD2 4.43Å; L419-L422 HydrophobicContact CB-CB 3.85Å; L419-L422 HydrophobicContact CB-CD2 4.43Å; L419-L422 HydrophobicContact CD1-CD2 4.22Å; L419-L422 VanDerWaalsContact O-CB 3.25Å; L419-L422 WeakPolarHBondContact O-CB 3.35Å; L419-L422 PolarHBondContact O-N 2.77Å; L422-L425 HydrophobicContact CD2-CB 4.47Å; L422-P442 HydrophobicContact CB-CG 4.15Å; L422-P442 HydrophobicContact CD2-CG 4.15Å; L422-T444 CarbonylContact O-C 3Å; L422-T444 WeakPolarHBondContact O-CB 3.37Å; L422-T444 PolarHBondContact O-OG1 3.13Å; L422-T444 VanDerWaalsContact O-OG1 3.06Å; L422-L445 HydrophobicContact CD2-CD1 4.4Å; L422-L445 HydrophobicContact CG-CD1 4.46Å; L422-L445 PolarHBondContact O-N 2.8Å
423	T	98.3	Very high	95	Very high	27 Å²	27	42.2 Å²	42.2	17%	0.166	22%	0.217	C	C	.	.			trans	-115.5	-29	-178.7	51	0	0	0	0	112.2	R397 K421 K446 Y447	R397-T423 PolarHBondContact O-N 3.02Å; R397-T423 PolarHBondContact O-OG1 3.29Å; K421-T423 PolarHBondContact O-N 3.09Å; T423-K446 PolarHBondContact O-N 3.41Å; T423-Y447 PolarHBondContact O-N 3.25Å
424	H	98.8	Very high	94.8	Very high	78 Å²	78	45.7 Å²	45.7	36%	0.361	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.1	-177.8	-58.6	68.7	0	0	0	110.3	R397 V398 L399 Y447	R397-H424 PolarHBondContact O-N 2.87Å; V398-H424 WeakPolarHBondContact CA-O 3.33Å; V398-H424 HydrophobicContact CB-CB 4.3Å; V398-H424 HydrophobicContact CG1-CB 4.01Å; V398-H424 HydrophobicContact CG2-CB 4.03Å; L399-H424 PolarHBondContact N-O 3.26Å; H424-Y447 HydrophobicContact CB-CD1 4.22Å; H424-Y447 HydrophobicContact CB-CG 4.43Å; H424-Y447 WeakPolarHBondContact CD2-CB 3.46Å; H424-Y447 AromaticContact CD2-CG 3.63Å
425	L	98.6	Very high	94.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.2	175.1	-179.9	61.8	0	0	0	110.1	L399 V416 L422 I427 W441 L445 Y447 L448 N449	L399-L425 HydrophobicContact CB-CD1 3.95Å; L399-L425 HydrophobicContact CD2-CD1 3.87Å; L399-L425 HydrophobicContact CG-CD1 3.95Å; L399-L425 WeakPolarHBondContact O-CA 3.42Å; V416-L425 HydrophobicContact CG2-CD2 4.32Å; L422-L425 HydrophobicContact CD2-CB 4.47Å; L425-I427 HydrophobicContact CD1-CG2 3.84Å; L425-I427 HydrophobicContact CD2-CG2 4.21Å; L425-I427 HydrophobicContact CG-CG2 3.87Å; L425-W441 HydrophobicContact CD2-CE3 4.18Å; L425-W441 HydrophobicContact CD2-CH2 4.2Å; L425-W441 HydrophobicContact CD2-CZ3 3.43Å; L425-W441 VanDerWaalsContact CD2-CZ3 3.43Å; L425-L445 HydrophobicContact CB-CD1 3.78Å; L425-Y447 PolarHBondContact N-O 3.17Å; L425-L448 HydrophobicContact CB-CD1 4.1Å; L425-L448 HydrophobicContact CD2-CD1 3.97Å; L425-L448 HydrophobicContact CG-CD1 4.1Å; L425-L448 WeakPolarHBondContact O-CA 3.48Å; L425-N449 PolarHBondContact O-N 3.15Å
426	D	98.7	Very high	94.7	Very high	26 Å²	26	42.1 Å²	42.1	14%	0.139	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114	171	-161.7	-32.6	0	0	0	110.7	L399 N400 I401 S402 S428 N449	L399-D426 PolarHBondContact O-N 3.18Å; N400-D426 HydrophobicContact CB-CB 4.21Å; I401-D426 PolarHBondContact N-O 2.95Å; S402-D426 WeakPolarHBondContact CB-OD1 3.41Å; S402-D426 PolarHBondContact N-O 2.93Å; D426-S428 WeakPolarHBondContact OD1-CB 3.41Å; D426-S428 PolarHBondContact OD1-N 3.06Å; D426-S428 PolarHBondContact OD1-OG 2.58Å; D426-N449 HydrophobicContact CB-CB 4.31Å; D426-N449 PolarHBondContact OD1-ND2 3.09Å; D426-N449 PolarHBondContact OD2-ND2 2.85Å
427	I	97.1	Very high	94.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.			trans	-127.3	28.9	178.7	55.7	173.6	0	0	0	110.3	I401 L409 I412 L425 T430 Y432 W441 L448 N449 I450	I401-I427 HydrophobicContact CD1-CG2 3.89Å; I401-I427 HydrophobicContact CG1-CG2 3.68Å; L409-I427 HydrophobicContact CD1-CD1 3.37Å; I412-I427 HydrophobicContact CG2-CG2 4.13Å; L425-I427 HydrophobicContact CD1-CG2 3.84Å; L425-I427 HydrophobicContact CD2-CG2 4.21Å; L425-I427 HydrophobicContact CG-CG2 3.87Å; I427-T430 WeakPolarHBondContact O-CG2 3.35Å; I427-T430 PolarHBondContact O-OG1 2.76Å; I427-Y432 HydrophobicContact CB-CE2 4.4Å; I427-Y432 HydrophobicContact CD1-CE2 4.12Å; I427-Y432 HydrophobicContact CG1-CE2 4.44Å; I427-W441 HydrophobicContact CD1-CH2 4.22Å; I427-L448 HydrophobicContact CD1-CD1 4.05Å; I427-L448 HydrophobicContact CG1-CD1 4.15Å; I427-N449 CarbonylContact C-O 3.27Å; I427-N449 WeakPolarHBondContact CG1-O 3.49Å; I427-N449 PolarHBondContact N-O 2.96Å; I427-I450 HydrophobicContact CD1-CD1 4.23Å; I427-I450 HydrophobicContact CD1-CG1 4.03Å; I427-I450 HydrophobicContact CD1-CG2 4.37Å; I427-I450 HydrophobicContact CG1-CB 4.47Å; I427-I450 HydrophobicContact CG1-CG1 4.01Å; I427-I450 HydrophobicContact CG1-CG2 4.32Å
428	S	97.9	Very high	94.6	Very high	5 Å²	5	48.5 Å²	48.5	4%	0.035	27%	0.274	C	S	.	.			trans	-73.3	167.7	178	64.6	0	0	0	0	113	S402 G403 D426 T430 N449 S451	S402-S428 CarbonylContact C-O 3.49Å; S402-S428 WeakPolarHBondContact CA-O 3.46Å; S402-S428 VanDerWaalsContact CB-O 3.24Å; S402-S428 WeakPolarHBondContact CB-O 3.44Å; S402-S428 WeakPolarHBondContact CB-OG 3.44Å; G403-S428 PolarHBondContact N-O 3.01Å; D426-S428 WeakPolarHBondContact OD1-CB 3.41Å; D426-S428 PolarHBondContact OD1-N 3.06Å; D426-S428 PolarHBondContact OD1-OG 2.58Å; S428-T430 PolarHBondContact O-N 2.95Å; S428-N449 WeakPolarHBondContact CB-OD1 3.24Å; S428-N449 PolarHBondContact N-O 2.81Å; S428-S451 CarbonylContact C-O 3.21Å; S428-S451 VanDerWaalsContact CA-O 3.23Å; S428-S451 WeakPolarHBondContact CA-O 3.33Å; S428-S451 WeakPolarHBondContact CB-O 3.43Å; S428-S451 WeakPolarHBondContact CB-OG 3.3Å
429	R	96.8	Very high	94.8	Very high	99 Å²	99	45.8 Å²	45.8	37%	0.374	26%	0.261	S	S	.	.	S	Bend	trans	55.3	36.8	178.7	-57.4	179	-71.2	161.3	1.3	112.6	D374 S402 G403 S451 R452	D374-R429 VanDerWaalsContact CG-NH1 3.26Å; D374-R429 IonicContact OD1-CZ 3.72Å; D374-R429 VanDerWaalsContact OD1-CZ 3.22Å; D374-R429 IonicContact OD1-NH1 2.78Å; D374-R429 PolarHBondContact OD1-NH1 2.98Å; D374-R429 IonicContact OD1-NH2 3.67Å; D374-R429 PolarHBondContact OD1-NH2 3.17Å; D374-R429 IonicContact OD2-CZ 3.02Å; D374-R429 VanDerWaalsContact OD2-CZ 3.29Å; D374-R429 IonicContact OD2-NH1 3.13Å; D374-R429 PolarHBondContact OD2-NH1 3.16Å; D374-R429 IonicContact OD2-NH2 2.77Å; D374-R429 PolarHBondContact OD2-NH2 3.44Å; S402-R429 PolarHBondContact OG-NH2 3.06Å; S402-R429 VanDerWaalsContact OG-NH2 3.09Å; G403-R429 WeakPolarHBondContact CA-O 3.29Å; R429-S451 PolarHBondContact N-O 3.14Å; R429-R452 HydrophobicContact CG-CB 4.07Å
430	T	93	Very high	94.7	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.018	28%	0.28	C	S	.	.			trans	-104	176.4	179.3	49.5	0	0	0	0	111.4	L406 I427 S428 Y432	L406-T430 HydrophobicContact CB-CG2 3.94Å; L406-T430 HydrophobicContact CD1-CG2 3.96Å; L406-T430 HydrophobicContact CG-CG2 4.16Å; I427-T430 WeakPolarHBondContact O-CG2 3.35Å; I427-T430 PolarHBondContact O-OG1 2.76Å; S428-T430 PolarHBondContact O-N 2.95Å; T430-Y432 HydrophobicContact CG2-CE2 4.18Å; T430-Y432 WeakPolarHBondContact OG1-CD2 3.11Å; T430-Y432 WeakPolarHBondContact OG1-CE2 3.24Å
431	L	89.9	Confident	94.8	Very high	87 Å²	87	43.6 Å²	43.6	46%	0.455	25%	0.253	S	S	.	.			trans	-102.7	31	-177.2	-62.6	174.5	0	0	0	112.8	P405 L406 K407	P405-L431 HydrophobicContact CB-CD1 3.95Å; L406-L431 CarbonylContact O-C 3.6Å; L406-L431 WeakPolarHBondContact O-CA 3.2Å; L406-L431 WeakPolarHBondContact O-CB 3.13Å; L406-L431 PolarHBondContact O-N 3.44Å; K407-L431 HydrophobicContact CG-CB 4.4Å
432	Y	87.9	Confident	94.7	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	24%	0.238	C	C	.	.			trans	-60.5	143.3	173.1	-56.3	-44	0	0	0	110.5	L406 K407 L409 I427 T430 I450 A453	L406-Y432 HydrophobicContact CB-CE1 4.01Å; K407-Y432 WeakPolarHBondContact O-CD1 3.14Å; L409-Y432 HydrophobicContact CB-CD1 4.18Å; L409-Y432 HydrophobicContact CB-CE1 4.1Å; L409-Y432 HydrophobicContact CB-CG 4.45Å; L409-Y432 HydrophobicContact CD1-CE2 4.04Å; I427-Y432 HydrophobicContact CB-CE2 4.4Å; I427-Y432 HydrophobicContact CD1-CE2 4.12Å; I427-Y432 HydrophobicContact CG1-CE2 4.44Å; T430-Y432 HydrophobicContact CG2-CE2 4.18Å; T430-Y432 WeakPolarHBondContact OG1-CD2 3.11Å; T430-Y432 WeakPolarHBondContact OG1-CE2 3.24Å; Y432-I450 HydrophobicContact CD2-CG2 3.91Å; Y432-I450 HydrophobicContact CE2-CG2 4.15Å; Y432-A453 CarbonylContact C-O 2.96Å; Y432-A453 HydrophobicContact CD2-CB 3.89Å; Y432-A453 HydrophobicContact CG-CB 4.49Å
433	S	83.9	Confident	94.5	Very high	85 Å²	85	45.3 Å²	45.3	59%	0.594	28%	0.275	S	S	*	.			trans	-110.9	-29.1	175.8	56.9	0	0	0	0	112.2
434	S	90.9	Very high	94.5	Very high	77 Å²	77	46.4 Å²	46.4	54%	0.538	28%	0.282	S	S	.	.			trans	-154.7	146	-174.3	53	0	0	0	0	110.5
435	M	94.6	Very high	94.4	Very high	15 Å²	15	42.7 Å²	42.7	7%	0.074	27%	0.265	C	S	.	.			trans	-88	132.6	172.7	-169.3	172.6	-80.9	0	0	109.7	L409 I450 L455 T459 C461 L462	L409-M435 HydrophobicContact CD2-CE 4.09Å; L409-M435 HydrophobicContact CD2-CG 3.89Å; M435-I450 HydrophobicContact CE-CD1 4Å; M435-L455 HydrophobicContact CB-CD2 4.43Å; M435-L455 HydrophobicContact CE-CD1 3.73Å; M435-T459 HydrophobicContact CB-CG2 4.36Å; M435-T459 HydrophobicContact CG-CG2 4.49Å; M435-T459 WeakPolarHBondContact CG-OG1 3.23Å; M435-T459 PolarHBondContact SD-N 3.29Å; M435-C461 HydrophobicContact CG-CB 3.76Å; M435-C461 HydrophobicContact SD-CB 4.14Å; M435-L462 HydrophobicContact CE-CD1 4.28Å; M435-L462 HydrophobicContact CE-CD2 4Å; M435-L462 HydrophobicContact CE-CG 4.05Å; M435-L462 HydrophobicContact SD-CD1 4.25Å; M435-L462 HydrophobicContact SD-CD2 4.47Å; M435-L462 HydrophobicContact SD-CG 3.92Å
436	P	94.6	Very high	94.4	Very high	37 Å²	37	47 Å²	47	24%	0.24	28%	0.283	C	S	.	.			trans	-70.4	165.8	178.8	32.8	-37.7	0	0	0	111.2	S438 C439 T459 C461	P436-S438 PolarHBondContact O-N 3.25Å; P436-C439 WeakPolarHBondContact CG-SG 3.32Å; P436-T459 WeakPolarHBondContact O-CB 3.35Å; P436-T459 PolarHBondContact O-OG1 3.5Å; P436-C461 HydrophobicContact CG-CB 4.3Å; P436-C461 WeakPolarHBondContact O-CB 3.33Å
437	S	93.8	Very high	94.4	Very high	89 Å²	89	48.8 Å²	48.8	62%	0.622	29%	0.288	S	S	*	.	S	Bend	trans	-66.9	-37.3	-178.2	51.3	0	0	0	0	113.5	S460 C461	S437-S460 CarbonylContact O-C 3.5Å; S437-S460 PolarHBondContact O-OG 2.67Å; S437-C461 PolarHBondContact O-N 2.96Å
438	S	94.3	Very high	94.5	Very high	86 Å²	86	48.8 Å²	48.8	60%	0.601	29%	0.288	S	S	*	.			trans	-137.6	154.4	177.2	59.1	0	0	0	0	111	P436	P436-S438 PolarHBondContact O-N 3.25Å
439	C	95.9	Very high	94.5	Very high	29 Å²	29	49 Å²	49	20%	0.196	29%	0.29	C	S	.	.			trans	-141.5	153.7	178.4	-72.2	0	0	0	0	109.6	P436 W441 C461	P436-C439 WeakPolarHBondContact CG-SG 3.32Å; C439-W441 HydrophobicContact CB-CZ2 4.26Å; C439-C461 HydrophobicContact CB-CB 3.82Å; C439-C461 WeakPolarHBondContact CB-SG 3.13Å; C439-C461 WeakPolarHBondContact SG-CB 3.33Å; C439-C461 CovalentContact SG-SG 2.03Å; C439-C461 PolarHBondContact SG-SG 2.66Å
440	S	94.4	Very high	94.6	Very high	63 Å²	63	44.3 Å²	44.3	44%	0.441	27%	0.272	S	S	.	.			trans	-101.6	118	172.5	-60.7	0	0	0	0	107.9	S413 T417	S413-S440 CarbonylContact C-O 3.58Å; S413-S440 WeakPolarHBondContact CA-O 3.48Å; S413-S440 WeakPolarHBondContact CB-O 3.14Å; S413-S440 PolarHBondContact OG-N 2.71Å; T417-S440 WeakPolarHBondContact OG1-CB 3.42Å; T417-S440 PolarHBondContact OG1-O 2.8Å; T417-S440 VanDerWaalsContact OG1-O 3.13Å
441	W	96	Very high	94.8	Very high	28 Å²	28	44.7 Å²	44.7	11%	0.106	27%	0.274	C	S	.	.			trans	-123.8	151	177.1	-61.7	107.1	0	0	0	109.8	L409 V416 L425 I427 C439 S443 L445 C461 P463	L409-W441 HydrophobicContact CD1-CH2 3.84Å; L409-W441 HydrophobicContact CD1-CZ2 4.03Å; L409-W441 HydrophobicContact CG-CZ2 4.44Å; V416-W441 HydrophobicContact CG2-CE3 3.73Å; V416-W441 HydrophobicContact CG2-CZ3 3.82Å; L425-W441 HydrophobicContact CD2-CE3 4.18Å; L425-W441 HydrophobicContact CD2-CH2 4.2Å; L425-W441 HydrophobicContact CD2-CZ3 3.43Å; L425-W441 VanDerWaalsContact CD2-CZ3 3.43Å; I427-W441 HydrophobicContact CD1-CH2 4.22Å; C439-W441 HydrophobicContact CB-CZ2 4.26Å; W441-S443 PolarHBondContact O-N 3.15Å; W441-L445 HydrophobicContact CB-CD2 4.23Å; W441-L445 HydrophobicContact CD2-CD2 4.13Å; W441-L445 HydrophobicContact CE3-CD2 3.91Å; W441-L445 HydrophobicContact CG-CD2 4.3Å; W441-C461 PolarHBondContact NE1-O 3.16Å; W441-P463 HydrophobicContact CB-CB 4.23Å; W441-P463 HydrophobicContact CB-CG 4.03Å; W441-P463 HydrophobicContact CG-CB 4.33Å; W441-P463 HydrophobicContact CG-CG 3.85Å
442	P	95.4	Very high	95.1	Very high	6 Å²	6	47 Å²	47	4%	0.039	28%	0.277	C	S	.	.			trans	-62.8	137.5	170.5	24.1	-28.6	0	0	0	109.6	L422 T444 L445	L422-P442 HydrophobicContact CB-CG 4.15Å; L422-P442 HydrophobicContact CD2-CG 4.15Å; P442-T444 PolarHBondContact O-N 3.05Å; P442-T444 VanDerWaalsContact O-N 3.12Å; P442-L445 HydrophobicContact CG-CB 4.23Å; P442-L445 VanDerWaalsContact O-CB 3.27Å; P442-L445 WeakPolarHBondContact O-CB 3.36Å; P442-L445 PolarHBondContact O-N 3.44Å
443	S	94.3	Very high	95.3	Very high	110 Å²	110	47 Å²	47	77%	0.769	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.7	-177.6	56.5	0	0	0	0	113.7	W441 L445	W441-S443 PolarHBondContact O-N 3.15Å; S443-L445 VanDerWaalsContact C-N 3.34Å
444	T	97.1	Very high	95.7	Very high	50 Å²	50	49 Å²	49	31%	0.307	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.5	176.5	43.4	0	0	0	0	113.6	L420 L422 P442 K446	L420-T444 WeakPolarHBondContact O-CG2 3.3Å; L420-T444 PolarHBondContact O-OG1 3.17Å; L422-T444 CarbonylContact O-C 3Å; L422-T444 WeakPolarHBondContact O-CB 3.37Å; L422-T444 PolarHBondContact O-OG1 3.13Å; L422-T444 VanDerWaalsContact O-OG1 3.06Å; P442-T444 PolarHBondContact O-N 3.05Å; P442-T444 VanDerWaalsContact O-N 3.12Å; T444-K446 PolarHBondContact O-N 2.77Å
445	L	98.3	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	C	.	.			trans	-68	120.9	-178.3	-168.9	67.1	0	0	0	111.3	L422 L425 W441 P442 S443 P463 S465 L466	L422-L445 HydrophobicContact CD2-CD1 4.4Å; L422-L445 HydrophobicContact CG-CD1 4.46Å; L422-L445 PolarHBondContact O-N 2.8Å; L425-L445 HydrophobicContact CB-CD1 3.78Å; W441-L445 HydrophobicContact CB-CD2 4.23Å; W441-L445 HydrophobicContact CD2-CD2 4.13Å; W441-L445 HydrophobicContact CE3-CD2 3.91Å; W441-L445 HydrophobicContact CG-CD2 4.3Å; P442-L445 HydrophobicContact CG-CB 4.23Å; P442-L445 VanDerWaalsContact O-CB 3.27Å; P442-L445 WeakPolarHBondContact O-CB 3.36Å; P442-L445 PolarHBondContact O-N 3.44Å; S443-L445 VanDerWaalsContact C-N 3.34Å; L445-P463 HydrophobicContact CD2-CG 4.26Å; L445-S465 CarbonylContact O-C 3.15Å; L445-S465 WeakPolarHBondContact O-CB 3.43Å; L445-S465 PolarHBondContact O-OG 3.34Å; L445-L466 HydrophobicContact CD2-CD2 4.45Å; L445-L466 HydrophobicContact CG-CD2 4.25Å
446	K	98.4	Very high	95.8	Very high	90 Å²	90	48.9 Å²	48.9	39%	0.391	27%	0.272	S	S	.	.			trans	-117.8	-35.4	-176.9	-70.1	174.7	174.5	-132.8	0	113	T423 T444 L466 E467 V468	T423-K446 PolarHBondContact O-N 3.41Å; T444-K446 PolarHBondContact O-N 2.77Å; K446-L466 CarbonylContact O-C 3.56Å; K446-L466 WeakPolarHBondContact O-CA 3.29Å; K446-E467 HydrophobicContact CB-CB 4.43Å; K446-E467 HydrophobicContact CB-CG 4.36Å; K446-E467 WeakPolarHBondContact CD-OE1 3.3Å; K446-E467 VanDerWaalsContact CE-OE1 3.3Å; K446-E467 WeakPolarHBondContact CE-OE1 3.34Å; K446-E467 HydrophobicContact CG-CG 4.34Å; K446-E467 IonicContact NZ-OE1 3.16Å; K446-E467 PolarHBondContact NZ-OE1 3.31Å; K446-E467 PolarHBondContact O-N 2.67Å; K446-V468 PolarHBondContact O-N 3.25Å
447	Y	98.8	Very high	95.8	Very high	63 Å²	63	49.7 Å²	49.7	25%	0.247	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127	179.5	177	-76.9	0	0	0	109.6	T423 H424 L425 N449 V468	T423-Y447 PolarHBondContact O-N 3.25Å; H424-Y447 HydrophobicContact CB-CD1 4.22Å; H424-Y447 HydrophobicContact CB-CG 4.43Å; H424-Y447 WeakPolarHBondContact CD2-CB 3.46Å; H424-Y447 AromaticContact CD2-CG 3.63Å; L425-Y447 PolarHBondContact N-O 3.17Å; Y447-N449 HydrophobicContact CE1-CB 3.77Å; Y447-V468 WeakPolarHBondContact CA-O 3.26Å; Y447-V468 HydrophobicContact CD2-CB 3.54Å; Y447-V468 HydrophobicContact CD2-CG1 3.37Å; Y447-V468 HydrophobicContact CD2-CG2 4.21Å; Y447-V468 HydrophobicContact CE2-CB 4.21Å; Y447-V468 HydrophobicContact CE2-CG1 3.5Å; Y447-V468 HydrophobicContact CG-CB 4.29Å; Y447-V468 HydrophobicContact CG-CG1 4.4Å
448	L	98.6	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.7	176	-178.4	58.7	0	0	0	110.8	L425 I427 I450 L462 L466 V468 L469 D470	L425-L448 HydrophobicContact CB-CD1 4.1Å; L425-L448 HydrophobicContact CD2-CD1 3.97Å; L425-L448 HydrophobicContact CG-CD1 4.1Å; L425-L448 WeakPolarHBondContact O-CA 3.48Å; I427-L448 HydrophobicContact CD1-CD1 4.05Å; I427-L448 HydrophobicContact CG1-CD1 4.15Å; L448-I450 HydrophobicContact CD1-CD1 4.39Å; L448-I450 HydrophobicContact CD1-CG1 4.08Å; L448-I450 HydrophobicContact CD2-CD1 3.88Å; L448-I450 HydrophobicContact CD2-CG1 4.26Å; L448-I450 HydrophobicContact CG-CD1 4.02Å; L448-I450 HydrophobicContact CG-CG1 3.82Å; L448-L462 HydrophobicContact CD2-CD2 3.79Å; L448-L466 HydrophobicContact CB-CD1 4.19Å; L448-L466 HydrophobicContact CB-CD2 3.58Å; L448-L466 HydrophobicContact CD2-CD1 4.2Å; L448-V468 PolarHBondContact N-O 3.28Å; L448-L469 HydrophobicContact CB-CD1 4.44Å; L448-L469 WeakPolarHBondContact O-CA 3.27Å; L448-D470 PolarHBondContact O-N 2.81Å
449	N	98.7	Very high	96	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.059	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117.3	174.7	-173.9	0	0	0	0	110.6	L425 D426 I427 S428 Y447 S451 D470	L425-N449 PolarHBondContact O-N 3.15Å; D426-N449 HydrophobicContact CB-CB 4.31Å; D426-N449 PolarHBondContact OD1-ND2 3.09Å; D426-N449 PolarHBondContact OD2-ND2 2.85Å; I427-N449 CarbonylContact C-O 3.27Å; I427-N449 WeakPolarHBondContact CG1-O 3.49Å; I427-N449 PolarHBondContact N-O 2.96Å; S428-N449 WeakPolarHBondContact CB-OD1 3.24Å; S428-N449 PolarHBondContact N-O 2.81Å; Y447-N449 HydrophobicContact CE1-CB 3.77Å; N449-S451 VanDerWaalsContact OD1-CB 3.25Å; N449-S451 WeakPolarHBondContact OD1-CB 3.39Å; N449-S451 PolarHBondContact OD1-N 2.83Å; N449-S451 PolarHBondContact OD1-OG 3.37Å; N449-D470 HydrophobicContact CB-CB 4.2Å; N449-D470 WeakPolarHBondContact OD1-CB 3.14Å; N449-D470 PolarHBondContact OD1-OD2 3Å
450	I	97.3	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.262	C	S	.	.			trans	-127.4	32	174.8	-31.3	-178.5	0	0	0	109.6	L409 I427 Y432 M435 L448 A453 L455 L462 D470 L471 N474	L409-I450 HydrophobicContact CD2-CD1 4.44Å; I427-I450 HydrophobicContact CD1-CD1 4.23Å; I427-I450 HydrophobicContact CD1-CG1 4.03Å; I427-I450 HydrophobicContact CD1-CG2 4.37Å; I427-I450 HydrophobicContact CG1-CB 4.47Å; I427-I450 HydrophobicContact CG1-CG1 4.01Å; I427-I450 HydrophobicContact CG1-CG2 4.32Å; Y432-I450 HydrophobicContact CD2-CG2 3.91Å; Y432-I450 HydrophobicContact CE2-CG2 4.15Å; M435-I450 HydrophobicContact CE-CD1 4Å; L448-I450 HydrophobicContact CD1-CD1 4.39Å; L448-I450 HydrophobicContact CD1-CG1 4.08Å; L448-I450 HydrophobicContact CD2-CD1 3.88Å; L448-I450 HydrophobicContact CD2-CG1 4.26Å; L448-I450 HydrophobicContact CG-CD1 4.02Å; L448-I450 HydrophobicContact CG-CG1 3.82Å; I450-A453 HydrophobicContact CG2-CB 3.85Å; I450-A453 WeakPolarHBondContact O-CB 3.49Å; I450-L455 HydrophobicContact CB-CD1 4.47Å; I450-L455 HydrophobicContact CG2-CD1 3.96Å; I450-L462 HydrophobicContact CD1-CD2 3.99Å; I450-D470 CarbonylContact C-O 3.59Å; I450-D470 PolarHBondContact N-O 3.38Å; I450-L471 HydrophobicContact CB-CD2 4.14Å; I450-L471 HydrophobicContact CG1-CD2 4.49Å; I450-N474 PolarHBondContact O-ND2 2.93Å
451	S	97.9	Very high	96	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.07	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	155.1	176.7	62.4	0	0	0	0	111.7	S428 R429 N449 A453 D470 S472	S428-S451 CarbonylContact C-O 3.21Å; S428-S451 VanDerWaalsContact CA-O 3.23Å; S428-S451 WeakPolarHBondContact CA-O 3.33Å; S428-S451 WeakPolarHBondContact CB-O 3.43Å; S428-S451 WeakPolarHBondContact CB-OG 3.3Å; R429-S451 PolarHBondContact N-O 3.14Å; N449-S451 VanDerWaalsContact OD1-CB 3.25Å; N449-S451 WeakPolarHBondContact OD1-CB 3.39Å; N449-S451 PolarHBondContact OD1-N 2.83Å; N449-S451 PolarHBondContact OD1-OG 3.37Å; S451-A453 PolarHBondContact O-N 2.95Å; S451-A453 VanDerWaalsContact O-N 3.13Å; S451-D470 PolarHBondContact N-O 2.95Å; S451-S472 CarbonylContact C-O 3.19Å; S451-S472 WeakPolarHBondContact CA-O 3.28Å; S451-S472 WeakPolarHBondContact CB-O 3.35Å; S451-S472 VanDerWaalsContact CB-OG 3.24Å; S451-S472 WeakPolarHBondContact CB-OG 3.38Å
452	R	96.4	Very high	96	Very high	137 Å²	137	43.2 Å²	43.2	52%	0.517	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	29.3	177.2	-61.8	179.9	173.1	-141.4	0.6	114.7	R429 S472 Y473	R429-R452 HydrophobicContact CG-CB 4.07Å; R452-S472 PolarHBondContact N-O 3.16Å; R452-Y473 WeakPolarHBondContact CA-O 3.35Å; R452-Y473 HydrophobicContact CG-CG 4.28Å
453	A	92.7	Very high	96	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-105.4	19.5	-178.8	0	0	0	0	0	113.2	Y432 I450 S451 L455 N474	Y432-A453 CarbonylContact C-O 2.96Å; Y432-A453 HydrophobicContact CD2-CB 3.89Å; Y432-A453 HydrophobicContact CG-CB 4.49Å; I450-A453 HydrophobicContact CG2-CB 3.85Å; I450-A453 WeakPolarHBondContact O-CB 3.49Å; S451-A453 PolarHBondContact O-N 2.95Å; S451-A453 VanDerWaalsContact O-N 3.13Å; A453-L455 HydrophobicContact CB-CG 4.22Å; A453-L455 PolarHBondContact O-N 3Å; A453-N474 WeakPolarHBondContact CA-OD1 3.32Å; A453-N474 PolarHBondContact N-OD1 2.9Å; A453-N474 VanDerWaalsContact N-OD1 3.12Å
454	K	91.1	Very high	96.1	Very high	129 Å²	129	46.2 Å²	46.2	56%	0.561	24%	0.235	S	C	*	.			trans	53.3	16.8	176.4	-60.8	180	-179.6	175.6	0	116.3	N474 N475	K454-N474 PolarHBondContact N-OD1 2.92Å; K454-N475 PolarHBondContact O-ND2 3.23Å
455	L	94.2	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.			trans	-61.1	136.1	-175.6	-63.3	175.7	0	0	0	112.1	M435 I450 A453 L471 N474 N475 L476	M435-L455 HydrophobicContact CB-CD2 4.43Å; M435-L455 HydrophobicContact CE-CD1 3.73Å; I450-L455 HydrophobicContact CB-CD1 4.47Å; I450-L455 HydrophobicContact CG2-CD1 3.96Å; A453-L455 HydrophobicContact CB-CG 4.22Å; A453-L455 PolarHBondContact O-N 3Å; L455-L471 HydrophobicContact CD1-CD2 4.32Å; L455-N474 HydrophobicContact CB-CB 4.26Å; L455-N474 PolarHBondContact N-OD1 2.99Å; L455-N475 CarbonylContact O-C 3.58Å; L455-N475 VanDerWaalsContact O-C 3.28Å; L455-N475 VanDerWaalsContact O-CA 3.24Å; L455-N475 WeakPolarHBondContact O-CA 3.17Å; L455-N475 WeakPolarHBondContact O-CB 3.23Å; L455-N475 PolarHBondContact O-N 3.03Å; L455-L476 HydrophobicContact CB-CD2 4.26Å; L455-L476 PolarHBondContact O-N 2.95Å
456	T	93.9	Very high	96.1	Very high	88 Å²	88	45.1 Å²	45.1	54%	0.54	23%	0.229	S	C	.	.			trans	-98.9	-25.7	179.4	53.7	0	0	0	0	113.6	N475	T456-N475 HydrophobicContact CG2-CB 4.1Å
457	A	94.9	Very high	96.1	Very high	54 Å²	54	43 Å²	43	45%	0.446	22%	0.221	S	C	.	.			trans	-149.1	154.4	178.6	0	0	0	0	0	111.2
458	T	95.4	Very high	96.1	Very high	22 Å²	22	41.1 Å²	41.1	14%	0.135	22%	0.215	C	C	.	.			trans	-104.9	147.9	173.3	56.7	0	0	0	0	110.8	L462 L471 L476 F479	T458-L462 HydrophobicContact CG2-CD1 4.21Å; T458-L471 HydrophobicContact CG2-CD1 3.79Å; T458-L476 HydrophobicContact CG2-CD1 3.97Å; T458-L476 HydrophobicContact CG2-CD2 3.94Å; T458-F479 HydrophobicContact CG2-CD2 3.89Å; T458-F479 HydrophobicContact CG2-CE2 4Å
459	T	95.5	Very high	96.1	Very high	36 Å²	36	41.1 Å²	41.1	22%	0.221	22%	0.215	C	C	.	.			trans	-129.6	179.2	-178.6	65.4	0	0	0	0	111.1	M435 P436 C461 L462 L481	M435-T459 HydrophobicContact CB-CG2 4.36Å; M435-T459 HydrophobicContact CG-CG2 4.49Å; M435-T459 WeakPolarHBondContact CG-OG1 3.23Å; M435-T459 PolarHBondContact SD-N 3.29Å; P436-T459 WeakPolarHBondContact O-CB 3.35Å; P436-T459 PolarHBondContact O-OG1 3.5Å; T459-C461 PolarHBondContact O-N 3.17Å; T459-C461 VanDerWaalsContact OG1-CB 3.3Å; T459-C461 WeakPolarHBondContact OG1-CB 3.26Å; T459-C461 PolarHBondContact OG1-N 3.09Å; T459-C461 VanDerWaalsContact OG1-N 3.17Å; T459-L462 PolarHBondContact O-N 2.77Å; T459-L481 VanDerWaalsContact O-CD1 3.24Å; T459-L481 WeakPolarHBondContact O-CD1 3.33Å
460	S	94.9	Very high	96.1	Very high	92 Å²	92	41.6 Å²	41.6	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	2.9	169.5	44.2	0	0	0	0	115.1	S437 L462	S437-S460 CarbonylContact O-C 3.5Å; S437-S460 PolarHBondContact O-OG 2.67Å; S460-L462 PolarHBondContact O-N 2.74Å
461	C	95.9	Very high	96.1	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.007	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.1	166.9	167.3	0	0	0	0	111.7	M435 P436 S437 C439 W441 T459	M435-C461 HydrophobicContact CG-CB 3.76Å; M435-C461 HydrophobicContact SD-CB 4.14Å; P436-C461 HydrophobicContact CG-CB 4.3Å; P436-C461 WeakPolarHBondContact O-CB 3.33Å; S437-C461 PolarHBondContact O-N 2.96Å; C439-C461 HydrophobicContact CB-CB 3.82Å; C439-C461 WeakPolarHBondContact CB-SG 3.13Å; C439-C461 WeakPolarHBondContact SG-CB 3.33Å; C439-C461 CovalentContact SG-SG 2.03Å; C439-C461 PolarHBondContact SG-SG 2.66Å; W441-C461 PolarHBondContact NE1-O 3.16Å; T459-C461 PolarHBondContact O-N 3.17Å; T459-C461 VanDerWaalsContact OG1-CB 3.3Å; T459-C461 WeakPolarHBondContact OG1-CB 3.26Å; T459-C461 PolarHBondContact OG1-N 3.09Å; T459-C461 VanDerWaalsContact OG1-N 3.17Å
462	L	96.8	Very high	96.1	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	22%	0.219	C	C	.	.	S	Bend	trans	-70.2	126.9	179.2	-68.1	171.2	0	0	0	110.8	M435 L448 I450 T458 T459 S460 L469 L471 F479 L481	M435-L462 HydrophobicContact CE-CD1 4.28Å; M435-L462 HydrophobicContact CE-CD2 4Å; M435-L462 HydrophobicContact CE-CG 4.05Å; M435-L462 HydrophobicContact SD-CD1 4.25Å; M435-L462 HydrophobicContact SD-CD2 4.47Å; M435-L462 HydrophobicContact SD-CG 3.92Å; L448-L462 HydrophobicContact CD2-CD2 3.79Å; I450-L462 HydrophobicContact CD1-CD2 3.99Å; T458-L462 HydrophobicContact CG2-CD1 4.21Å; T459-L462 PolarHBondContact O-N 2.77Å; S460-L462 PolarHBondContact O-N 2.74Å; L462-L469 HydrophobicContact CD1-CD2 4.04Å; L462-L469 HydrophobicContact CD2-CD1 4.09Å; L462-L471 HydrophobicContact CD1-CD1 4.25Å; L462-F479 HydrophobicContact CD1-CE2 4.28Å; L462-L481 HydrophobicContact CB-CD1 4.25Å; L462-L481 HydrophobicContact CD1-CD1 3.68Å; L462-L481 HydrophobicContact CG-CD1 4.41Å
463	P	95.6	Very high	96.2	Very high	23 Å²	23	40.1 Å²	40.1	15%	0.149	21%	0.214	C	C	.	.			trans	-77.9	145.4	-175.4	28.8	-29.6	0	0	0	111.8	W441 L445 S465 L466 L483	W441-P463 HydrophobicContact CB-CB 4.23Å; W441-P463 HydrophobicContact CB-CG 4.03Å; W441-P463 HydrophobicContact CG-CB 4.33Å; W441-P463 HydrophobicContact CG-CG 3.85Å; L445-P463 HydrophobicContact CD2-CG 4.26Å; P463-S465 PolarHBondContact O-N 3.48Å; P463-L466 HydrophobicContact CG-CD1 4.24Å; P463-L466 HydrophobicContact CG-CD2 4.24Å; P463-L466 HydrophobicContact CG-CG 3.97Å; P463-L466 WeakPolarHBondContact O-CG 3.33Å; P463-L483 WeakPolarHBondContact O-CD2 3.47Å
464	R	95.7	Very high	96.3	Very high	155 Å²	155	40.4 Å²	40.4	59%	0.585	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.4	177.2	-77.6	-177.2	148.8	174.1	-3	114.8	L466 D482 L483	R464-L466 VanDerWaalsContact C-N 3.27Å; R464-D482 WeakPolarHBondContact CG-O 3.25Å; R464-D482 IonicContact CZ-OD2 3.32Å; R464-D482 PolarHBondContact NE-O 2.78Å; R464-D482 IonicContact NE-OD2 3.23Å; R464-D482 IonicContact NH2-OD2 2.76Å; R464-D482 PolarHBondContact NH2-OD2 3.5Å; R464-L483 HydrophobicContact CG-CD2 4.47Å
465	S	96.4	Very high	96.6	Very high	28 Å²	28	37 Å²	37	20%	0.196	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.6	179	57.7	0	0	0	0	113.9	L445 P463 E467	L445-S465 CarbonylContact O-C 3.15Å; L445-S465 WeakPolarHBondContact O-CB 3.43Å; L445-S465 PolarHBondContact O-OG 3.34Å; P463-S465 PolarHBondContact O-N 3.48Å; S465-E467 PolarHBondContact O-N 2.94Å
466	L	98.3	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.			trans	-66	132.8	-174	-65.6	174.4	0	0	0	112.6	L445 K446 L448 P463 R464 L469 L485 L486	L445-L466 HydrophobicContact CD2-CD2 4.45Å; L445-L466 HydrophobicContact CG-CD2 4.25Å; K446-L466 CarbonylContact O-C 3.56Å; K446-L466 WeakPolarHBondContact O-CA 3.29Å; L448-L466 HydrophobicContact CB-CD1 4.19Å; L448-L466 HydrophobicContact CB-CD2 3.58Å; L448-L466 HydrophobicContact CD2-CD1 4.2Å; P463-L466 HydrophobicContact CG-CD1 4.24Å; P463-L466 HydrophobicContact CG-CD2 4.24Å; P463-L466 HydrophobicContact CG-CG 3.97Å; P463-L466 WeakPolarHBondContact O-CG 3.33Å; R464-L466 VanDerWaalsContact C-N 3.27Å; L466-L469 HydrophobicContact CD1-CB 4.39Å; L466-L469 HydrophobicContact CD1-CD1 4.06Å; L466-L469 HydrophobicContact CD1-CD2 4.42Å; L466-L485 CarbonylContact O-C 3.13Å; L466-L485 VanDerWaalsContact O-C 3.31Å; L466-L486 HydrophobicContact CB-CD1 4.14Å; L466-L486 WeakPolarHBondContact O-CA 3.48Å; L466-L486 PolarHBondContact O-N 3.19Å
467	E	98.4	Very high	96.7	Very high	46 Å²	46	40.5 Å²	40.5	22%	0.215	21%	0.211	C	C	.	.	S	Bend	trans	-100.5	-31.4	168.2	-63.6	-177.6	-151.7	0	0	110.7	K446 S465 R487 E488	K446-E467 HydrophobicContact CB-CB 4.43Å; K446-E467 HydrophobicContact CB-CG 4.36Å; K446-E467 WeakPolarHBondContact CD-OE1 3.3Å; K446-E467 VanDerWaalsContact CE-OE1 3.3Å; K446-E467 WeakPolarHBondContact CE-OE1 3.34Å; K446-E467 HydrophobicContact CG-CG 4.34Å; K446-E467 IonicContact NZ-OE1 3.16Å; K446-E467 PolarHBondContact NZ-OE1 3.31Å; K446-E467 PolarHBondContact O-N 2.67Å; S465-E467 PolarHBondContact O-N 2.94Å; E467-R487 WeakPolarHBondContact O-CA 3.49Å; E467-R487 PolarHBondContact O-N 2.64Å; E467-E488 PolarHBondContact O-N 2.83Å
468	V	98.8	Very high	96.6	Very high	22 Å²	22	40 Å²	40	13%	0.133	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.6	178.7	-178.2	0	0	0	0	110	K446 Y447 L448 E488 Y490	K446-V468 PolarHBondContact O-N 3.25Å; Y447-V468 WeakPolarHBondContact CA-O 3.26Å; Y447-V468 HydrophobicContact CD2-CB 3.54Å; Y447-V468 HydrophobicContact CD2-CG1 3.37Å; Y447-V468 HydrophobicContact CD2-CG2 4.21Å; Y447-V468 HydrophobicContact CE2-CB 4.21Å; Y447-V468 HydrophobicContact CE2-CG1 3.5Å; Y447-V468 HydrophobicContact CG-CB 4.29Å; Y447-V468 HydrophobicContact CG-CG1 4.4Å; L448-V468 PolarHBondContact N-O 3.28Å; V468-E488 WeakPolarHBondContact CA-O 3.47Å; V468-E488 HydrophobicContact CB-CB 4.45Å; V468-E488 HydrophobicContact CG1-CB 4.08Å; V468-E488 HydrophobicContact CG2-CB 4.11Å; V468-E488 HydrophobicContact CG2-CG 4.26Å; V468-Y490 HydrophobicContact CG1-CD2 4.48Å; V468-Y490 HydrophobicContact CG1-CE2 3.93Å
469	L	98.7	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	120.7	178.9	176.5	58.9	0	0	0	110.7	L448 L462 L466 L471 F479 L483 L486 E488 L489 Y490	L448-L469 HydrophobicContact CB-CD1 4.44Å; L448-L469 WeakPolarHBondContact O-CA 3.27Å; L462-L469 HydrophobicContact CD1-CD2 4.04Å; L462-L469 HydrophobicContact CD2-CD1 4.09Å; L466-L469 HydrophobicContact CD1-CB 4.39Å; L466-L469 HydrophobicContact CD1-CD1 4.06Å; L466-L469 HydrophobicContact CD1-CD2 4.42Å; L469-L471 HydrophobicContact CD1-CD1 4.31Å; L469-L471 HydrophobicContact CD1-CD2 4.23Å; L469-L471 HydrophobicContact CD1-CG 3.91Å; L469-L471 HydrophobicContact CD2-CD1 3.83Å; L469-L471 HydrophobicContact CD2-CG 4.29Å; L469-L471 HydrophobicContact CG-CD1 4.07Å; L469-L471 HydrophobicContact CG-CG 3.96Å; L469-F479 HydrophobicContact CD2-CE2 4.29Å; L469-F479 HydrophobicContact CD2-CZ 3.9Å; L469-L483 HydrophobicContact CD2-CD1 3.79Å; L469-L486 HydrophobicContact CB-CD1 3.74Å; L469-E488 PolarHBondContact N-O 2.67Å; L469-L489 HydrophobicContact CB-CD1 4.25Å; L469-L489 HydrophobicContact CD2-CD1 4.15Å; L469-L489 HydrophobicContact CG-CD1 4.23Å; L469-Y490 PolarHBondContact O-N 3.36Å
470	D	98.7	Very high	96.4	Very high	22 Å²	22	43.2 Å²	43.2	12%	0.118	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	114.9	172.5	-172.3	-2.9	0	0	0	111.6	L448 N449 I450 S451 S472 Y490	L448-D470 PolarHBondContact O-N 2.81Å; N449-D470 HydrophobicContact CB-CB 4.2Å; N449-D470 WeakPolarHBondContact OD1-CB 3.14Å; N449-D470 PolarHBondContact OD1-OD2 3Å; I450-D470 CarbonylContact C-O 3.59Å; I450-D470 PolarHBondContact N-O 3.38Å; S451-D470 PolarHBondContact N-O 2.95Å; D470-S472 WeakPolarHBondContact OD1-CB 3.32Å; D470-S472 PolarHBondContact OD1-N 2.96Å; D470-S472 PolarHBondContact OD1-OG 2.83Å; D470-Y490 HydrophobicContact CB-CD2 4.14Å; D470-Y490 HydrophobicContact CB-CG 4.43Å; D470-Y490 WeakPolarHBondContact OD1-CB 3.43Å
471	L	97.9	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.			trans	-123.1	21.9	175.4	-66.9	172.8	0	0	0	111.1	I450 L455 T458 L462 L469 N474 L476 F479 Y490 L491 N494	I450-L471 HydrophobicContact CB-CD2 4.14Å; I450-L471 HydrophobicContact CG1-CD2 4.49Å; L455-L471 HydrophobicContact CD1-CD2 4.32Å; T458-L471 HydrophobicContact CG2-CD1 3.79Å; L462-L471 HydrophobicContact CD1-CD1 4.25Å; L469-L471 HydrophobicContact CD1-CD1 4.31Å; L469-L471 HydrophobicContact CD1-CD2 4.23Å; L469-L471 HydrophobicContact CD1-CG 3.91Å; L469-L471 HydrophobicContact CD2-CD1 3.83Å; L469-L471 HydrophobicContact CD2-CG 4.29Å; L469-L471 HydrophobicContact CG-CD1 4.07Å; L469-L471 HydrophobicContact CG-CG 3.96Å; L471-N474 PolarHBondContact O-ND2 2.96Å; L471-L476 HydrophobicContact CB-CD1 3.95Å; L471-L476 HydrophobicContact CD1-CD1 4.07Å; L471-F479 HydrophobicContact CD1-CD2 4.23Å; L471-F479 HydrophobicContact CD1-CE2 3.75Å; L471-Y490 CarbonylContact C-O 3.56Å; L471-Y490 PolarHBondContact N-O 2.89Å; L471-L491 HydrophobicContact CB-CD2 4.04Å; L471-L491 HydrophobicContact CD1-CD2 4.37Å; L471-N494 PolarHBondContact O-ND2 3.06Å
472	S	98.2	Very high	96.4	Very high	12 Å²	12	43.5 Å²	43.5	8%	0.084	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	154.1	-179.2	64.9	0	0	0	0	112.6	S451 R452 D470 N474 Y490 S492	S451-S472 CarbonylContact C-O 3.19Å; S451-S472 WeakPolarHBondContact CA-O 3.28Å; S451-S472 WeakPolarHBondContact CB-O 3.35Å; S451-S472 VanDerWaalsContact CB-OG 3.24Å; S451-S472 WeakPolarHBondContact CB-OG 3.38Å; R452-S472 PolarHBondContact N-O 3.16Å; D470-S472 WeakPolarHBondContact OD1-CB 3.32Å; D470-S472 PolarHBondContact OD1-N 2.96Å; D470-S472 PolarHBondContact OD1-OG 2.83Å; S472-N474 VanDerWaalsContact C-N 3.28Å; S472-N474 PolarHBondContact O-N 2.82Å; S472-N474 PolarHBondContact O-ND2 3.29Å; S472-Y490 PolarHBondContact N-O 3.44Å; S472-S492 CarbonylContact C-O 3.58Å; S472-S492 WeakPolarHBondContact CA-O 3.43Å; S472-S492 VanDerWaalsContact CB-O 3.29Å; S472-S492 WeakPolarHBondContact CB-O 3.41Å
473	Y	97.3	Very high	96.3	Very high	104 Å²	104	43.2 Å²	43.2	41%	0.408	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	41.3	177.9	-62.2	-84.3	0	0	0	113.8	R452 S492 G493	R452-Y473 WeakPolarHBondContact CA-O 3.35Å; R452-Y473 HydrophobicContact CG-CG 4.28Å; Y473-S492 PolarHBondContact N-O 2.84Å; Y473-G493 WeakPolarHBondContact CA-O 3.4Å
474	N	96.7	Very high	96.4	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.032	23%	0.233	C	C	.	.	S	Bend	trans	-106.4	-167.4	170.4	-79.5	-67.9	0	0	0	110.2	I450 A453 K454 L455 L471 S472 L476 N494	I450-N474 PolarHBondContact O-ND2 2.93Å; A453-N474 WeakPolarHBondContact CA-OD1 3.32Å; A453-N474 PolarHBondContact N-OD1 2.9Å; A453-N474 VanDerWaalsContact N-OD1 3.12Å; K454-N474 PolarHBondContact N-OD1 2.92Å; L455-N474 HydrophobicContact CB-CB 4.26Å; L455-N474 PolarHBondContact N-OD1 2.99Å; L471-N474 PolarHBondContact O-ND2 2.96Å; S472-N474 VanDerWaalsContact C-N 3.28Å; S472-N474 PolarHBondContact O-N 2.82Å; S472-N474 PolarHBondContact O-ND2 3.29Å; N474-L476 HydrophobicContact CB-CG 4.07Å; N474-N494 VanDerWaalsContact CA-OD1 3.32Å; N474-N494 WeakPolarHBondContact CA-OD1 3.45Å; N474-N494 VanDerWaalsContact CB-OD1 3.23Å; N474-N494 WeakPolarHBondContact CB-OD1 3.33Å; N474-N494 PolarHBondContact N-OD1 2.99Å; N474-N494 PolarHBondContact O-OD1 3.41Å
475	N	95.6	Very high	96.5	Very high	57 Å²	57	41 Å²	41	31%	0.305	23%	0.227	S	C	.	.			trans	-110.2	27.8	178.1	-71.9	-60.8	0	0	0	112.3	K454 L455 T456 N494 K495	K454-N475 PolarHBondContact O-ND2 3.23Å; L455-N475 CarbonylContact O-C 3.58Å; L455-N475 VanDerWaalsContact O-C 3.28Å; L455-N475 VanDerWaalsContact O-CA 3.24Å; L455-N475 WeakPolarHBondContact O-CA 3.17Å; L455-N475 WeakPolarHBondContact O-CB 3.23Å; L455-N475 PolarHBondContact O-N 3.03Å; T456-N475 HydrophobicContact CG2-CB 4.1Å; N475-N494 PolarHBondContact N-OD1 3.23Å; N475-K495 WeakPolarHBondContact OD1-CE 3.42Å; N475-K495 PolarHBondContact OD1-NZ 3.49Å; N475-K495 VanDerWaalsContact OD1-NZ 3.14Å
476	L	96	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.			trans	-71.5	138.4	-175.3	-56.5	176.8	0	0	0	111.2	L455 T458 L471 N474 L491 N494 K495 F496	L455-L476 HydrophobicContact CB-CD2 4.26Å; L455-L476 PolarHBondContact O-N 2.95Å; T458-L476 HydrophobicContact CG2-CD1 3.97Å; T458-L476 HydrophobicContact CG2-CD2 3.94Å; L471-L476 HydrophobicContact CB-CD1 3.95Å; L471-L476 HydrophobicContact CD1-CD1 4.07Å; N474-L476 HydrophobicContact CB-CG 4.07Å; L476-L491 HydrophobicContact CD1-CD2 4.43Å; L476-N494 HydrophobicContact CB-CB 4.36Å; L476-N494 VanDerWaalsContact CB-OD1 3.3Å; L476-N494 WeakPolarHBondContact CB-OD1 3.47Å; L476-N494 WeakPolarHBondContact CG-OD1 3.47Å; L476-N494 PolarHBondContact N-OD1 3.27Å; L476-K495 CarbonylContact O-C 3.44Å; L476-K495 WeakPolarHBondContact O-CA 3.43Å; L476-K495 WeakPolarHBondContact O-CB 3.31Å; L476-K495 PolarHBondContact O-N 2.72Å; L476-F496 HydrophobicContact CB-CE2 3.86Å; L476-F496 HydrophobicContact CB-CZ 3.96Å
477	K	94.7	Very high	96.5	Very high	162 Å²	162	45.4 Å²	45.4	70%	0.704	24%	0.239	S	C	*	.	S	Bend	trans	-105.4	-18.8	174.3	-65	-177.9	179.4	-178.7	0	113.5	K495	K477-K495 HydrophobicContact CG-CB 4.17Å
478	G	94	Very high	96.5	Very high	42 Å²	42	46.2 Å²	46.2	43%	0.433	24%	0.243	S	C	.	.			trans	-161.1	161.2	-175.3	0	0	0	0	0	110.8	F496	G478-F496 VanDerWaalsContact C-CE1 3.42Å; G478-F496 VanDerWaalsContact CA-CE1 3.44Å
479	F	95.1	Very high	96.5	Very high	14 Å²	14	45.1 Å²	45.1	6%	0.061	24%	0.236	C	C	.	.			trans	-148.4	116.1	-178.9	-172.8	-106.1	0	0	0	108.7	T458 L462 L469 L471 L481 L483 L489 F496 F505	T458-F479 HydrophobicContact CG2-CD2 3.89Å; T458-F479 HydrophobicContact CG2-CE2 4Å; L462-F479 HydrophobicContact CD1-CE2 4.28Å; L469-F479 HydrophobicContact CD2-CE2 4.29Å; L469-F479 HydrophobicContact CD2-CZ 3.9Å; L471-F479 HydrophobicContact CD1-CD2 4.23Å; L471-F479 HydrophobicContact CD1-CE2 3.75Å; F479-L481 HydrophobicContact CE2-CD1 4.05Å; F479-L481 HydrophobicContact CZ-CB 4.31Å; F479-L481 HydrophobicContact CZ-CD1 4.49Å; F479-L483 HydrophobicContact CE1-CD1 4.35Å; F479-L483 HydrophobicContact CZ-CD1 3.78Å; F479-L489 HydrophobicContact CD1-CD2 4.22Å; F479-L489 HydrophobicContact CE1-CD1 4.43Å; F479-L489 HydrophobicContact CE1-CD2 3.97Å; F479-F496 HydrophobicContact CB-CE1 3.78Å; F479-F496 HydrophobicContact CB-CZ 3.9Å; F479-F505 HydrophobicContact CD1-CE1 4.27Å; F479-F505 HydrophobicContact CD1-CE2 4.27Å; F479-F505 AromaticContact CD1-CZ 3.54Å; F479-F505 HydrophobicContact CD1-CZ 3.54Å; F479-F505 AromaticContact CE1-CE1 3.57Å; F479-F505 HydrophobicContact CE1-CE1 3.57Å; F479-F505 HydrophobicContact CE1-CE2 4.33Å; F479-F505 AromaticContact CE1-CZ 3.32Å; F479-F505 HydrophobicContact CE1-CZ 3.32Å
480	S	90.7	Very high	96.5	Very high	112 Å²	112	48.3 Å²	48.3	78%	0.783	25%	0.249	S	C	*	.			trans	-137.1	27.8	-169.8	65.9	0	0	0	0	113.1
481	L	94.6	Very high	96.5	Very high	31 Å²	31	47.3 Å²	47.3	16%	0.162	24%	0.243	C	C	.	.			trans	-90.1	146.6	178.8	-67.9	168.9	0	0	0	110.8	T459 L462 F479 L483 F505	T459-L481 VanDerWaalsContact O-CD1 3.24Å; T459-L481 WeakPolarHBondContact O-CD1 3.33Å; L462-L481 HydrophobicContact CB-CD1 4.25Å; L462-L481 HydrophobicContact CD1-CD1 3.68Å; L462-L481 HydrophobicContact CG-CD1 4.41Å; F479-L481 HydrophobicContact CE2-CD1 4.05Å; F479-L481 HydrophobicContact CZ-CB 4.31Å; F479-L481 HydrophobicContact CZ-CD1 4.49Å; L481-L483 HydrophobicContact CB-CG 4.46Å; L481-F505 WeakPolarHBondContact O-CE1 3.44Å; L481-F505 WeakPolarHBondContact O-CZ 3.28Å
482	D	95.1	Very high	96.4	Very high	69 Å²	69	47.8 Å²	47.8	37%	0.369	25%	0.247	S	C	.	.			trans	-94	107.1	177.5	179.6	32	0	0	0	111.3	R464 P504	R464-D482 WeakPolarHBondContact CG-O 3.25Å; R464-D482 IonicContact CZ-OD2 3.32Å; R464-D482 PolarHBondContact NE-O 2.78Å; R464-D482 IonicContact NE-OD2 3.23Å; R464-D482 IonicContact NH2-OD2 2.76Å; R464-D482 PolarHBondContact NH2-OD2 3.5Å; D482-P504 HydrophobicContact CB-CB 4.17Å
483	L	96.6	Very high	96.4	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.251	C	S	.	.			trans	-125.5	81.1	-174.7	-62.5	176.8	0	0	0	109.3	P463 R464 L469 F479 L481 L485 L486 P504 F505	P463-L483 WeakPolarHBondContact O-CD2 3.47Å; R464-L483 HydrophobicContact CG-CD2 4.47Å; L469-L483 HydrophobicContact CD2-CD1 3.79Å; F479-L483 HydrophobicContact CE1-CD1 4.35Å; F479-L483 HydrophobicContact CZ-CD1 3.78Å; L481-L483 HydrophobicContact CB-CG 4.46Å; L483-L485 VanDerWaalsContact C-N 3.28Å; L483-L485 PolarHBondContact O-N 3.22Å; L483-L486 HydrophobicContact CB-CB 4.03Å; L483-L486 HydrophobicContact CB-CD2 4.35Å; L483-L486 HydrophobicContact CD1-CD2 4.11Å; L483-L486 WeakPolarHBondContact O-CB 3.41Å; L483-L486 PolarHBondContact O-N 2.72Å; L483-P504 CarbonylContact C-O 3.48Å; L483-P504 PolarHBondContact N-O 3.17Å; L483-F505 HydrophobicContact CB-CD1 4.09Å; L483-F505 HydrophobicContact CB-CE1 4.09Å; L483-F505 HydrophobicContact CG-CE1 4.45Å
484	P	96.1	Very high	96.4	Very high	44 Å²	44	43.4 Å²	43.4	29%	0.286	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23	-166.8	25.7	-35.5	0	0	0	114.4	P506 N507	P484-P506 HydrophobicContact CB-CG 4.44Å; P484-N507 PolarHBondContact O-ND2 3.02Å
485	L	97.6	Very high	96.4	Very high	88 Å²	88	47.9 Å²	47.9	46%	0.461	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-4.6	-178.9	-62.9	-179.9	0	0	0	113.6	L466 L483 R487	L466-L485 CarbonylContact O-C 3.13Å; L466-L485 VanDerWaalsContact O-C 3.31Å; L483-L485 VanDerWaalsContact C-N 3.28Å; L483-L485 PolarHBondContact O-N 3.22Å; L485-R487 PolarHBondContact O-N 3.18Å
486	L	98.2	Very high	96.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.			trans	-66.5	130.7	-173.5	-159.9	72	0	0	0	111.4	L466 L469 L483 L489 F505 N507 L508	L466-L486 HydrophobicContact CB-CD1 4.14Å; L466-L486 WeakPolarHBondContact O-CA 3.48Å; L466-L486 PolarHBondContact O-N 3.19Å; L469-L486 HydrophobicContact CB-CD1 3.74Å; L483-L486 HydrophobicContact CB-CB 4.03Å; L483-L486 HydrophobicContact CB-CD2 4.35Å; L483-L486 HydrophobicContact CD1-CD2 4.11Å; L483-L486 WeakPolarHBondContact O-CB 3.41Å; L483-L486 PolarHBondContact O-N 2.72Å; L486-L489 HydrophobicContact CD2-CB 3.88Å; L486-L489 HydrophobicContact CD2-CD1 4.12Å; L486-L489 HydrophobicContact CD2-CD2 4.1Å; L486-L489 HydrophobicContact CD2-CG 4.24Å; L486-F505 HydrophobicContact CD2-CD1 4.01Å; L486-F505 HydrophobicContact CD2-CE1 4.41Å; L486-N507 CarbonylContact O-C 3.59Å; L486-L508 HydrophobicContact CD2-CD1 4.12Å; L486-L508 HydrophobicContact CG-CD1 4.15Å; L486-L508 WeakPolarHBondContact O-CA 3.3Å; L486-L508 PolarHBondContact O-N 2.85Å; L486-L508 VanDerWaalsContact O-N 3.16Å
487	R	98.1	Very high	96.4	Very high	121 Å²	121	50.7 Å²	50.7	46%	0.457	27%	0.267	S	S	.	.			trans	-112.5	-37.4	178	-64.4	-177	176.9	-169.5	-0.4	111.8	E467 L485 Q509 T510	E467-R487 WeakPolarHBondContact O-CA 3.49Å; E467-R487 PolarHBondContact O-N 2.64Å; L485-R487 PolarHBondContact O-N 3.18Å; R487-Q509 PolarHBondContact O-N 3.13Å; R487-T510 PolarHBondContact O-N 2.99Å
488	E	98.6	Very high	96.3	Very high	62 Å²	62	44.3 Å²	44.3	29%	0.29	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.5	-180	-54.8	-176.4	-167.2	0	0	111.1	E467 V468 L469 Y490 T510	E467-E488 PolarHBondContact O-N 2.83Å; V468-E488 WeakPolarHBondContact CA-O 3.47Å; V468-E488 HydrophobicContact CB-CB 4.45Å; V468-E488 HydrophobicContact CG1-CB 4.08Å; V468-E488 HydrophobicContact CG2-CB 4.11Å; V468-E488 HydrophobicContact CG2-CG 4.26Å; L469-E488 PolarHBondContact N-O 2.67Å; E488-Y490 HydrophobicContact CB-CE2 3.82Å; E488-Y490 PolarHBondContact OE2-OH 3.27Å; E488-T510 WeakPolarHBondContact CA-O 3.47Å
489	L	98.3	Very high	96.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	119.3	179.9	-179.8	54.2	0	0	0	110.5	L469 F479 L486 L491 L508 T510 L511 T512	L469-L489 HydrophobicContact CB-CD1 4.25Å; L469-L489 HydrophobicContact CD2-CD1 4.15Å; L469-L489 HydrophobicContact CG-CD1 4.23Å; F479-L489 HydrophobicContact CD1-CD2 4.22Å; F479-L489 HydrophobicContact CE1-CD1 4.43Å; F479-L489 HydrophobicContact CE1-CD2 3.97Å; L486-L489 HydrophobicContact CD2-CB 3.88Å; L486-L489 HydrophobicContact CD2-CD1 4.12Å; L486-L489 HydrophobicContact CD2-CD2 4.1Å; L486-L489 HydrophobicContact CD2-CG 4.24Å; L489-L491 HydrophobicContact CD1-CD1 4.42Å; L489-L491 HydrophobicContact CD1-CD2 4.1Å; L489-L491 HydrophobicContact CD1-CG 4.02Å; L489-L491 HydrophobicContact CD2-CD1 3.89Å; L489-L491 HydrophobicContact CD2-CG 4.34Å; L489-L491 HydrophobicContact CG-CD1 4Å; L489-L491 HydrophobicContact CG-CG 3.91Å; L489-L508 HydrophobicContact CB-CD1 3.69Å; L489-T510 PolarHBondContact N-O 3.12Å; L489-L511 HydrophobicContact CB-CD1 4.09Å; L489-L511 HydrophobicContact CD2-CD1 4.1Å; L489-L511 HydrophobicContact CG-CD1 4.04Å; L489-L511 WeakPolarHBondContact O-CA 3.03Å; L489-T512 PolarHBondContact O-N 2.93Å
490	Y	98.6	Very high	96.3	Very high	67 Å²	67	43.5 Å²	43.5	26%	0.263	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	113.6	178.7	-53.5	-96.1	0	0	0	110.9	V468 L469 D470 L471 S472 E488 T512	V468-Y490 HydrophobicContact CG1-CD2 4.48Å; V468-Y490 HydrophobicContact CG1-CE2 3.93Å; L469-Y490 PolarHBondContact O-N 3.36Å; D470-Y490 HydrophobicContact CB-CD2 4.14Å; D470-Y490 HydrophobicContact CB-CG 4.43Å; D470-Y490 WeakPolarHBondContact OD1-CB 3.43Å; L471-Y490 CarbonylContact C-O 3.56Å; L471-Y490 PolarHBondContact N-O 2.89Å; S472-Y490 PolarHBondContact N-O 3.44Å; E488-Y490 HydrophobicContact CB-CE2 3.82Å; E488-Y490 PolarHBondContact OE2-OH 3.27Å; Y490-T512 WeakPolarHBondContact CA-OG1 3.39Å; Y490-T512 HydrophobicContact CD1-CG2 3.72Å; Y490-T512 WeakPolarHBondContact CD1-OG1 3.32Å; Y490-T512 HydrophobicContact CE1-CG2 3.89Å
491	L	97.9	Very high	96.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.			trans	-126.8	10.2	-177.6	-65.1	174.6	0	0	0	112.6	L471 L476 L489 N494 F496 P500 L511 T512 M513 N516	L471-L491 HydrophobicContact CB-CD2 4.04Å; L471-L491 HydrophobicContact CD1-CD2 4.37Å; L476-L491 HydrophobicContact CD1-CD2 4.43Å; L489-L491 HydrophobicContact CD1-CD1 4.42Å; L489-L491 HydrophobicContact CD1-CD2 4.1Å; L489-L491 HydrophobicContact CD1-CG 4.02Å; L489-L491 HydrophobicContact CD2-CD1 3.89Å; L489-L491 HydrophobicContact CD2-CG 4.34Å; L489-L491 HydrophobicContact CG-CD1 4Å; L489-L491 HydrophobicContact CG-CG 3.91Å; L491-N494 PolarHBondContact O-ND2 3.43Å; L491-F496 HydrophobicContact CB-CE2 4.05Å; L491-F496 HydrophobicContact CD1-CE1 4.38Å; L491-F496 HydrophobicContact CD1-CE2 4.23Å; L491-F496 HydrophobicContact CD1-CZ 3.96Å; L491-F496 HydrophobicContact CD2-CE2 4.03Å; L491-F496 HydrophobicContact CD2-CZ 3.96Å; L491-F496 HydrophobicContact CG-CE2 4.34Å; L491-F496 HydrophobicContact CG-CZ 4.4Å; L491-P500 HydrophobicContact CD1-CG 4.34Å; L491-L511 HydrophobicContact CD1-CD1 4.33Å; L491-T512 CarbonylContact C-O 3.39Å; L491-T512 WeakPolarHBondContact CA-O 3.27Å; L491-T512 PolarHBondContact N-O 2.92Å; L491-M513 HydrophobicContact CB-CE 4.46Å; L491-M513 HydrophobicContact CB-CG 4.18Å; L491-M513 HydrophobicContact CD1-CE 4.21Å; L491-N516 PolarHBondContact O-ND2 3.42Å
492	S	97.6	Very high	96.2	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	147.6	178.8	-59.2	0	0	0	0	112	S472 Y473 N494 T512 M513 Q514	S472-S492 CarbonylContact C-O 3.58Å; S472-S492 WeakPolarHBondContact CA-O 3.43Å; S472-S492 VanDerWaalsContact CB-O 3.29Å; S472-S492 WeakPolarHBondContact CB-O 3.41Å; Y473-S492 PolarHBondContact N-O 2.84Å; S492-N494 PolarHBondContact O-ND2 2.94Å; S492-T512 PolarHBondContact N-O 2.82Å; S492-T512 WeakPolarHBondContact OG-CB 3.24Å; S492-T512 PolarHBondContact OG-OG1 3.42Å; S492-M513 PolarHBondContact OG-N 2.72Å; S492-Q514 CarbonylContact C-O 3.52Å; S492-Q514 WeakPolarHBondContact CA-O 3.38Å; S492-Q514 WeakPolarHBondContact CB-O 3.11Å; S492-Q514 PolarHBondContact OG-N 3.28Å
493	G	97.3	Very high	96.1	Very high	17 Å²	17	42.7 Å²	42.7	18%	0.175	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	74	26.5	177.1	0	0	0	0	0	115.4	Y473 Q514 F515	Y473-G493 WeakPolarHBondContact CA-O 3.4Å; G493-Q514 PolarHBondContact N-O 3.12Å; G493-F515 VanDerWaalsContact CA-O 3.23Å; G493-F515 WeakPolarHBondContact CA-O 3.13Å; G493-F515 PolarHBondContact N-O 3.24Å
494	N	97.7	Very high	96	Very high	8 Å²	8	44 Å²	44	4%	0.043	23%	0.233	C	C	.	.	S	Bend	trans	-110.7	-159.8	178	-80.9	-78.1	0	0	0	111	L471 N474 N475 L476 L491 S492 F496 N516	L471-N494 PolarHBondContact O-ND2 3.06Å; N474-N494 VanDerWaalsContact CA-OD1 3.32Å; N474-N494 WeakPolarHBondContact CA-OD1 3.45Å; N474-N494 VanDerWaalsContact CB-OD1 3.23Å; N474-N494 WeakPolarHBondContact CB-OD1 3.33Å; N474-N494 PolarHBondContact N-OD1 2.99Å; N474-N494 PolarHBondContact O-OD1 3.41Å; N475-N494 PolarHBondContact N-OD1 3.23Å; L476-N494 HydrophobicContact CB-CB 4.36Å; L476-N494 VanDerWaalsContact CB-OD1 3.3Å; L476-N494 WeakPolarHBondContact CB-OD1 3.47Å; L476-N494 WeakPolarHBondContact CG-OD1 3.47Å; L476-N494 PolarHBondContact N-OD1 3.27Å; L491-N494 PolarHBondContact O-ND2 3.43Å; S492-N494 PolarHBondContact O-ND2 2.94Å; N494-F496 HydrophobicContact CB-CD2 3.53Å; N494-F496 HydrophobicContact CB-CE2 3.57Å; N494-N516 WeakPolarHBondContact CA-OD1 3.37Å; N494-N516 WeakPolarHBondContact CB-OD1 3.01Å; N494-N516 PolarHBondContact N-OD1 3.13Å; N494-N516 PolarHBondContact O-OD1 2.84Å; N494-N516 VanDerWaalsContact O-OD1 3.1Å
495	K	96.3	Very high	96	Very high	99 Å²	99	41.9 Å²	41.9	43%	0.43	22%	0.219	S	C	.	.			trans	-122.6	36.7	-177.4	-57.5	179	-175	172.6	0	112.1	N475 L476 K477 N516 T517	N475-K495 WeakPolarHBondContact OD1-CE 3.42Å; N475-K495 PolarHBondContact OD1-NZ 3.49Å; N475-K495 VanDerWaalsContact OD1-NZ 3.14Å; L476-K495 CarbonylContact O-C 3.44Å; L476-K495 WeakPolarHBondContact O-CA 3.43Å; L476-K495 WeakPolarHBondContact O-CB 3.31Å; L476-K495 PolarHBondContact O-N 2.72Å; K477-K495 HydrophobicContact CG-CB 4.17Å; K495-N516 PolarHBondContact N-OD1 3.3Å; K495-T517 PolarHBondContact O-OG1 3.06Å
496	F	96.6	Very high	95.9	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.022	21%	0.21	C	C	.	.			trans	-72.7	137.5	177.6	-71.5	-92.3	0	0	0	111	L476 G478 F479 L491 N494 M513 N516 T517 L518	L476-F496 HydrophobicContact CB-CE2 3.86Å; L476-F496 HydrophobicContact CB-CZ 3.96Å; G478-F496 VanDerWaalsContact C-CE1 3.42Å; G478-F496 VanDerWaalsContact CA-CE1 3.44Å; F479-F496 HydrophobicContact CB-CE1 3.78Å; F479-F496 HydrophobicContact CB-CZ 3.9Å; L491-F496 HydrophobicContact CB-CE2 4.05Å; L491-F496 HydrophobicContact CD1-CE1 4.38Å; L491-F496 HydrophobicContact CD1-CE2 4.23Å; L491-F496 HydrophobicContact CD1-CZ 3.96Å; L491-F496 HydrophobicContact CD2-CE2 4.03Å; L491-F496 HydrophobicContact CD2-CZ 3.96Å; L491-F496 HydrophobicContact CG-CE2 4.34Å; L491-F496 HydrophobicContact CG-CZ 4.4Å; N494-F496 HydrophobicContact CB-CD2 3.53Å; N494-F496 HydrophobicContact CB-CE2 3.57Å; F496-M513 HydrophobicContact CB-CE 3.71Å; F496-M513 HydrophobicContact CD1-CE 4.02Å; F496-M513 HydrophobicContact CD2-CE 4.03Å; F496-M513 HydrophobicContact CG-CE 3.66Å; F496-N516 WeakPolarHBondContact CD2-OD1 3.49Å; F496-N516 PolarHBondContact N-OD1 2.87Å; F496-T517 CarbonylContact O-C 3.23Å; F496-T517 WeakPolarHBondContact O-CA 3.21Å; F496-T517 PolarHBondContact O-N 3.01Å; F496-T517 PolarHBondContact O-OG1 3.32Å; F496-L518 HydrophobicContact CB-CD2 4.09Å; F496-L518 PolarHBondContact O-N 2.99Å; F496-L518 VanDerWaalsContact O-N 3.15Å
497	L	94.8	Very high	95.8	Very high	111 Å²	111	41.8 Å²	41.8	58%	0.581	22%	0.221	S	C	*	.	S	Bend	trans	-94.2	-24.7	175.7	-68.1	171.7	0	0	0	113.2	N519	L497-N519 PolarHBondContact O-N 2.89Å
498	G	93.8	Very high	95.8	Very high	29 Å²	29	36 Å²	36	30%	0.299	20%	0.2	S	C	.	.	S	Bend	trans	-148.1	172.3	178	0	0	0	0	0	111.1	L518	G498-L518 VanDerWaalsContact CA-CD2 3.44Å; G498-L518 WeakPolarHBondContact O-CD2 3.24Å
499	L	94	Very high	95.7	Very high	28 Å²	28	36 Å²	36	15%	0.147	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-65.1	147.1	175.3	-62.7	-179.7	0	0	0	110.6	L511 M513 L518 F521 D525 L526	L499-L511 HydrophobicContact CD2-CD2 4.42Å; L499-M513 HydrophobicContact CD2-SD 3.43Å; L499-M513 WeakPolarHBondContact CD2-SD 3.3Å; L499-L518 HydrophobicContact CD2-CD1 4.33Å; L499-F521 HydrophobicContact CD1-CB 3.66Å; L499-F521 HydrophobicContact CD1-CD2 4.06Å; L499-F521 HydrophobicContact CD1-CG 3.95Å; L499-F521 HydrophobicContact CG-CB 3.9Å; L499-F521 HydrophobicContact CG-CG 4.36Å; L499-D525 HydrophobicContact CD1-CB 3.98Å; L499-L526 HydrophobicContact CD1-CD2 3.93Å
500	P	94.5	Very high	95.6	Very high	11 Å²	11	37.1 Å²	37.1	7%	0.071	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.9	157.6	170.7	29.8	-34.4	0	0	0	110.7	L491 G502 F505 M513 F529	L491-P500 HydrophobicContact CD1-CG 4.34Å; P500-G502 PolarHBondContact O-N 3.03Å; P500-F505 HydrophobicContact CB-CE2 4.34Å; P500-M513 VanDerWaalsContact CD-SD 3.58Å; P500-F529 HydrophobicContact CG-CZ 4.36Å; P500-F529 VanDerWaalsContact O-CZ 3.28Å; P500-F529 WeakPolarHBondContact O-CZ 3.07Å
501	A	92.6	Very high	95.6	Very high	56 Å²	56	34 Å²	34	46%	0.463	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-62.2	130.3	174.1	0	0	0	0	0	110	P504 F505	A501-P504 WeakPolarHBondContact O-CD 3.33Å; A501-F505 WeakPolarHBondContact O-CD2 3.32Å; A501-F505 WeakPolarHBondContact O-CE2 3.46Å
502	G	90.6	Very high	95.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-81.7	-18.5	-176.6	0	0	0	0	0	115.6	P500 F505 S528 F529	P500-G502 PolarHBondContact O-N 3.03Å; G502-F505 CarbonylContact O-C 3.56Å; G502-F505 PolarHBondContact O-N 3.06Å; G502-S528 CarbonylContact C-O 3.56Å; G502-S528 WeakPolarHBondContact CA-OG 3.09Å; G502-S528 PolarHBondContact N-OG 3.04Å; G502-S528 VanDerWaalsContact N-OG 3.1Å; G502-F529 VanDerWaalsContact CA-CD1 3.48Å
503	Q	92.9	Very high	95.5	Very high	139 Å²	139	33.8 Å²	33.8	65%	0.65	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.2	-179.2	-60.5	85.1	-5	0	0	114.7	F505	Q503-F505 PolarHBondContact O-N 3.27Å
504	P	95.2	Very high	95.4	Very high	28 Å²	28	34.6 Å²	34.6	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.4	177.4	-10.1	27.1	0	0	0	114.4	D482 L483 A501 P506	D482-P504 HydrophobicContact CB-CB 4.17Å; L483-P504 CarbonylContact C-O 3.48Å; L483-P504 PolarHBondContact N-O 3.17Å; A501-P504 WeakPolarHBondContact O-CD 3.33Å; P504-P506 VanDerWaalsContact C-CD 3.47Å; P504-P506 WeakPolarHBondContact O-CD 3.44Å
505	F	95.8	Very high	95.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	21%	0.21	C	C	.	.			trans	-126.7	63.6	-177.9	-38	-65.3	0	0	0	111.4	F479 L481 L483 L486 P500 A501 G502 Q503 N507 L508 F529	F479-F505 HydrophobicContact CD1-CE1 4.27Å; F479-F505 HydrophobicContact CD1-CE2 4.27Å; F479-F505 AromaticContact CD1-CZ 3.54Å; F479-F505 HydrophobicContact CD1-CZ 3.54Å; F479-F505 AromaticContact CE1-CE1 3.57Å; F479-F505 HydrophobicContact CE1-CE1 3.57Å; F479-F505 HydrophobicContact CE1-CE2 4.33Å; F479-F505 AromaticContact CE1-CZ 3.32Å; F479-F505 HydrophobicContact CE1-CZ 3.32Å; L481-F505 WeakPolarHBondContact O-CE1 3.44Å; L481-F505 WeakPolarHBondContact O-CZ 3.28Å; L483-F505 HydrophobicContact CB-CD1 4.09Å; L483-F505 HydrophobicContact CB-CE1 4.09Å; L483-F505 HydrophobicContact CG-CE1 4.45Å; L486-F505 HydrophobicContact CD2-CD1 4.01Å; L486-F505 HydrophobicContact CD2-CE1 4.41Å; P500-F505 HydrophobicContact CB-CE2 4.34Å; A501-F505 WeakPolarHBondContact O-CD2 3.32Å; A501-F505 WeakPolarHBondContact O-CE2 3.46Å; G502-F505 CarbonylContact O-C 3.56Å; G502-F505 PolarHBondContact O-N 3.06Å; Q503-F505 PolarHBondContact O-N 3.27Å; F505-N507 PolarHBondContact O-N 3.45Å; F505-N507 VanDerWaalsContact O-N 3.08Å; F505-L508 HydrophobicContact CB-CB 3.8Å; F505-L508 HydrophobicContact CB-CD2 4.27Å; F505-L508 HydrophobicContact CB-CG 4.46Å; F505-L508 WeakPolarHBondContact O-CB 3.46Å; F505-L508 PolarHBondContact O-N 2.82Å; F505-F529 HydrophobicContact CD2-CE1 4.22Å
506	P	95.1	Very high	95.3	Very high	42 Å²	42	34.6 Å²	34.6	27%	0.273	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.8	-173.2	27.3	-36.3	0	0	0	114.2	P484 P504	P484-P506 HydrophobicContact CB-CG 4.44Å; P504-P506 VanDerWaalsContact C-CD 3.47Å; P504-P506 WeakPolarHBondContact O-CD 3.44Å
507	N	96.6	Very high	95.3	Very high	43 Å²	43	36.8 Å²	36.8	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	6.4	-177.7	-66.8	-52.5	0	0	0	114.1	P484 L486 F505 Q509 R531	P484-N507 PolarHBondContact O-ND2 3.02Å; L486-N507 CarbonylContact O-C 3.59Å; F505-N507 PolarHBondContact O-N 3.45Å; F505-N507 VanDerWaalsContact O-N 3.08Å; N507-Q509 PolarHBondContact O-N 3.42Å; N507-R531 PolarHBondContact OD1-NH1 2.77Å
508	L	97.4	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.			trans	-66.6	125.6	-175.3	-165.4	72.9	0	0	0	110.8	L486 L489 F505 L511 F529 R531 L532	L486-L508 HydrophobicContact CD2-CD1 4.12Å; L486-L508 HydrophobicContact CG-CD1 4.15Å; L486-L508 WeakPolarHBondContact O-CA 3.3Å; L486-L508 PolarHBondContact O-N 2.85Å; L486-L508 VanDerWaalsContact O-N 3.16Å; L489-L508 HydrophobicContact CB-CD1 3.69Å; F505-L508 HydrophobicContact CB-CB 3.8Å; F505-L508 HydrophobicContact CB-CD2 4.27Å; F505-L508 HydrophobicContact CB-CG 4.46Å; F505-L508 WeakPolarHBondContact O-CB 3.46Å; F505-L508 PolarHBondContact O-N 2.82Å; L508-L511 HydrophobicContact CD2-CB 4.15Å; L508-F529 HydrophobicContact CD2-CD1 3.78Å; L508-F529 HydrophobicContact CD2-CE1 3.68Å; L508-R531 CarbonylContact O-C 3.56Å; L508-R531 VanDerWaalsContact O-O 3.05Å; L508-L532 HydrophobicContact CD2-CD1 4.31Å; L508-L532 HydrophobicContact CG-CD1 4.38Å; L508-L532 VanDerWaalsContact O-CA 3.24Å; L508-L532 WeakPolarHBondContact O-CA 3.13Å; L508-L532 PolarHBondContact O-N 2.92Å; L508-L532 VanDerWaalsContact O-N 3.08Å
509	Q	96.3	Very high	95.3	Very high	63 Å²	63	32.8 Å²	32.8	29%	0.294	18%	0.178	S	C	.	.			trans	-108.9	-39.2	-179.5	-70.2	174.6	-20.4	0	0	111.6	R487 N507 E533 N534	R487-Q509 PolarHBondContact O-N 3.13Å; N507-Q509 PolarHBondContact O-N 3.42Å; Q509-E533 PolarHBondContact O-N 2.98Å; Q509-N534 PolarHBondContact O-N 2.83Å
510	T	97.1	Very high	95.1	Very high	23 Å²	23	35.6 Å²	35.6	14%	0.141	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.2	-177.2	-58.8	0	0	0	0	110.7	R487 E488 L489 T512 N534	R487-T510 PolarHBondContact O-N 2.99Å; E488-T510 WeakPolarHBondContact CA-O 3.47Å; L489-T510 PolarHBondContact N-O 3.12Å; T510-T512 HydrophobicContact CG2-CG2 4.37Å; T510-N534 WeakPolarHBondContact CA-O 3.27Å; T510-N534 HydrophobicContact CG2-CB 4.22Å
511	L	97.3	Very high	95	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.3	174.9	176.9	60.2	0	0	0	110.1	L489 L491 L499 L508 M513 F529 L532 N534 L535 Q536	L489-L511 HydrophobicContact CB-CD1 4.09Å; L489-L511 HydrophobicContact CD2-CD1 4.1Å; L489-L511 HydrophobicContact CG-CD1 4.04Å; L489-L511 WeakPolarHBondContact O-CA 3.03Å; L491-L511 HydrophobicContact CD1-CD1 4.33Å; L499-L511 HydrophobicContact CD2-CD2 4.42Å; L508-L511 HydrophobicContact CD2-CB 4.15Å; L511-M513 HydrophobicContact CD1-CG 3.85Å; L511-M513 HydrophobicContact CD1-SD 4.13Å; L511-M513 HydrophobicContact CD2-CG 4.39Å; L511-M513 HydrophobicContact CD2-SD 4Å; L511-M513 HydrophobicContact CG-CG 3.93Å; L511-M513 HydrophobicContact CG-SD 4.18Å; L511-F529 HydrophobicContact CD2-CE1 4.39Å; L511-F529 HydrophobicContact CD2-CZ 4.05Å; L511-L532 HydrophobicContact CB-CD1 3.78Å; L511-N534 PolarHBondContact N-O 2.8Å; L511-L535 HydrophobicContact CB-CD1 4.13Å; L511-L535 HydrophobicContact CD2-CD1 4.06Å; L511-L535 HydrophobicContact CG-CD1 4.04Å; L511-L535 WeakPolarHBondContact O-CA 3.47Å; L511-Q536 PolarHBondContact O-N 3.1Å
512	T	97.4	Very high	94.9	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127	174	72.8	0	0	0	0	111.1	L489 Y490 L491 S492 T510 Q536	L489-T512 PolarHBondContact O-N 2.93Å; Y490-T512 WeakPolarHBondContact CA-OG1 3.39Å; Y490-T512 HydrophobicContact CD1-CG2 3.72Å; Y490-T512 WeakPolarHBondContact CD1-OG1 3.32Å; Y490-T512 HydrophobicContact CE1-CG2 3.89Å; L491-T512 CarbonylContact C-O 3.39Å; L491-T512 WeakPolarHBondContact CA-O 3.27Å; L491-T512 PolarHBondContact N-O 2.92Å; S492-T512 PolarHBondContact N-O 2.82Å; S492-T512 WeakPolarHBondContact OG-CB 3.24Å; S492-T512 PolarHBondContact OG-OG1 3.42Å; T510-T512 HydrophobicContact CG2-CG2 4.37Å; T512-Q536 HydrophobicContact CG2-CB 4.19Å; T512-Q536 HydrophobicContact CG2-CG 4.26Å
513	M	96.2	Very high	94.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.			trans	-140.8	31.8	-177.6	-59.7	-165.3	71.3	0	0	111.8	L491 S492 F496 L499 P500 L511 N516 L518 Q536 N540	L491-M513 HydrophobicContact CB-CE 4.46Å; L491-M513 HydrophobicContact CB-CG 4.18Å; L491-M513 HydrophobicContact CD1-CE 4.21Å; S492-M513 PolarHBondContact OG-N 2.72Å; F496-M513 HydrophobicContact CB-CE 3.71Å; F496-M513 HydrophobicContact CD1-CE 4.02Å; F496-M513 HydrophobicContact CD2-CE 4.03Å; F496-M513 HydrophobicContact CG-CE 3.66Å; L499-M513 HydrophobicContact CD2-SD 3.43Å; L499-M513 WeakPolarHBondContact CD2-SD 3.3Å; P500-M513 VanDerWaalsContact CD-SD 3.58Å; L511-M513 HydrophobicContact CD1-CG 3.85Å; L511-M513 HydrophobicContact CD1-SD 4.13Å; L511-M513 HydrophobicContact CD2-CG 4.39Å; L511-M513 HydrophobicContact CD2-SD 4Å; L511-M513 HydrophobicContact CG-CG 3.93Å; L511-M513 HydrophobicContact CG-SD 4.18Å; M513-N516 PolarHBondContact O-ND2 3.36Å; M513-L518 HydrophobicContact CB-CD1 3.88Å; M513-L518 HydrophobicContact CE-CD1 4.47Å; M513-L518 HydrophobicContact CE-CD2 4.12Å; M513-Q536 PolarHBondContact N-O 3.45Å; M513-N540 PolarHBondContact O-ND2 2.82Å
514	Q	95.3	Very high	94.5	Very high	35 Å²	35	34.8 Å²	34.8	16%	0.164	19%	0.194	C	C	.	.			trans	-64.5	160	176.7	-63.5	177.6	-6.7	0	0	111.4	S492 G493 N516 Q536 G538	S492-Q514 CarbonylContact C-O 3.52Å; S492-Q514 WeakPolarHBondContact CA-O 3.38Å; S492-Q514 WeakPolarHBondContact CB-O 3.11Å; S492-Q514 PolarHBondContact OG-N 3.28Å; G493-Q514 PolarHBondContact N-O 3.12Å; Q514-N516 VanDerWaalsContact C-N 3.27Å; Q514-N516 PolarHBondContact O-N 2.86Å; Q514-N516 PolarHBondContact O-ND2 2.75Å; Q514-N516 VanDerWaalsContact O-ND2 3.09Å; Q514-Q536 HydrophobicContact CG-CB 3.98Å; Q514-Q536 VanDerWaalsContact NE2-OE1 3.12Å; Q514-G538 VanDerWaalsContact CA-O 3.27Å; Q514-G538 WeakPolarHBondContact CA-O 3.49Å
515	F	96	Very high	94.3	Very high	98 Å²	98	36.5 Å²	36.5	43%	0.43	20%	0.201	S	C	.	.	S	Bend	trans	54.7	41.3	173.9	-52	-74.7	0	0	0	113.6	G493 G538 Y539	G493-F515 VanDerWaalsContact CA-O 3.23Å; G493-F515 WeakPolarHBondContact CA-O 3.13Å; G493-F515 PolarHBondContact N-O 3.24Å; F515-G538 PolarHBondContact N-O 2.83Å; F515-Y539 VanDerWaalsContact CA-O 3.26Å; F515-Y539 WeakPolarHBondContact CA-O 3.21Å; F515-Y539 HydrophobicContact CD1-CG 4.28Å; F515-Y539 HydrophobicContact CE1-CD1 4.12Å; F515-Y539 HydrophobicContact CE1-CD2 4.12Å; F515-Y539 AromaticContact CE1-CG 3.65Å; F515-Y539 HydrophobicContact CE1-CG 3.65Å; F515-Y539 HydrophobicContact CE2-CD2 4.47Å; F515-Y539 AromaticContact CZ-CD2 3.89Å; F515-Y539 HydrophobicContact CZ-CD2 3.89Å; F515-Y539 AromaticContact CZ-CG 3.92Å; F515-Y539 HydrophobicContact CZ-CG 3.92Å; F515-Y539 PolarHBondContact N-O 2.88Å
516	N	96.8	Very high	94	Very high	8 Å²	8	37 Å²	37	4%	0.043	20%	0.204	C	C	.	.	S	Bend	trans	-110.6	-169.5	174.3	-88.3	-84.7	0	0	0	110.2	L491 N494 K495 F496 M513 Q514 L518 N540	L491-N516 PolarHBondContact O-ND2 3.42Å; N494-N516 WeakPolarHBondContact CA-OD1 3.37Å; N494-N516 WeakPolarHBondContact CB-OD1 3.01Å; N494-N516 PolarHBondContact N-OD1 3.13Å; N494-N516 PolarHBondContact O-OD1 2.84Å; N494-N516 VanDerWaalsContact O-OD1 3.1Å; K495-N516 PolarHBondContact N-OD1 3.3Å; F496-N516 WeakPolarHBondContact CD2-OD1 3.49Å; F496-N516 PolarHBondContact N-OD1 2.87Å; M513-N516 PolarHBondContact O-ND2 3.36Å; Q514-N516 VanDerWaalsContact C-N 3.27Å; Q514-N516 PolarHBondContact O-N 2.86Å; Q514-N516 PolarHBondContact O-ND2 2.75Å; Q514-N516 VanDerWaalsContact O-ND2 3.09Å; N516-L518 HydrophobicContact CB-CG 4.1Å; N516-N540 WeakPolarHBondContact CA-OD1 3.35Å; N516-N540 WeakPolarHBondContact CB-OD1 3.31Å; N516-N540 PolarHBondContact N-OD1 2.86Å; N516-N540 PolarHBondContact O-OD1 3.35Å
517	T	94.9	Very high	93.7	Very high	51 Å²	51	41.4 Å²	41.4	31%	0.313	22%	0.221	S	C	.	.			trans	-106.6	35.4	172.1	52.6	0	0	0	0	111.3	K495 F496 N519 N540	K495-T517 PolarHBondContact O-OG1 3.06Å; F496-T517 CarbonylContact O-C 3.23Å; F496-T517 WeakPolarHBondContact O-CA 3.21Å; F496-T517 PolarHBondContact O-N 3.01Å; F496-T517 PolarHBondContact O-OG1 3.32Å; T517-N519 PolarHBondContact O-N 2.89Å; T517-N519 PolarHBondContact O-OD1 3.32Å; T517-N540 PolarHBondContact N-OD1 3.5Å
518	L	95.1	Very high	93.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.219	C	C	.	.			trans	-65.7	122.3	-178.2	-66.1	174.1	0	0	0	110	F496 G498 L499 M513 N516 N540 K541 F542	F496-L518 HydrophobicContact CB-CD2 4.09Å; F496-L518 PolarHBondContact O-N 2.99Å; F496-L518 VanDerWaalsContact O-N 3.15Å; G498-L518 VanDerWaalsContact CA-CD2 3.44Å; G498-L518 WeakPolarHBondContact O-CD2 3.24Å; L499-L518 HydrophobicContact CD2-CD1 4.33Å; M513-L518 HydrophobicContact CB-CD1 3.88Å; M513-L518 HydrophobicContact CE-CD1 4.47Å; M513-L518 HydrophobicContact CE-CD2 4.12Å; N516-L518 HydrophobicContact CB-CG 4.1Å; L518-N540 HydrophobicContact CB-CB 3.96Å; L518-N540 VanDerWaalsContact CB-OD1 3.26Å; L518-N540 WeakPolarHBondContact CB-OD1 3.32Å; L518-N540 WeakPolarHBondContact CG-OD1 3.44Å; L518-N540 PolarHBondContact N-OD1 2.73Å; L518-K541 CarbonylContact O-C 3.57Å; L518-K541 PolarHBondContact O-N 2.49Å; L518-K541 VanDerWaalsContact O-O 3.12Å; L518-F542 HydrophobicContact CB-CE1 4.4Å
519	N	93.8	Very high	93.3	Very high	56 Å²	56	41.1 Å²	41.1	30%	0.299	22%	0.221	S	C	.	.			trans	-83.4	-47.7	-178.7	-71.1	-16.1	0	0	0	111.6	L497 T517 F542 I543	L497-N519 PolarHBondContact O-N 2.89Å; T517-N519 PolarHBondContact O-N 2.89Å; T517-N519 PolarHBondContact O-OD1 3.32Å; N519-F542 CarbonylContact O-C 3.52Å; N519-F542 VanDerWaalsContact O-CA 3.3Å; N519-F542 WeakPolarHBondContact O-CA 3.48Å; N519-I543 HydrophobicContact CB-CD1 3.8Å; N519-I543 HydrophobicContact CB-CG1 3.98Å; N519-I543 PolarHBondContact O-N 3.36Å
520	M	91.3	Very high	93	Very high	86 Å²	86	48.6 Å²	48.6	42%	0.424	25%	0.246	S	C	.	.			trans	-163.7	160.9	179.5	58.7	-174.6	-69.6	0	0	110.3	F548	M520-F548 HydrophobicContact CB-CB 4.44Å; M520-F548 HydrophobicContact CB-CD2 4.02Å; M520-F548 HydrophobicContact CB-CG 4.24Å
521	F	92.5	Very high	92.9	Very high	3 Å²	3	54.6 Å²	54.6	1%	0.013	27%	0.266	C	S	.	.			trans	-151.9	152.2	167.9	61.8	-85.4	0	0	0	109.4	L499 D525 L526 L535 A537 F542 F548 F551 L552 Y571	L499-F521 HydrophobicContact CD1-CB 3.66Å; L499-F521 HydrophobicContact CD1-CD2 4.06Å; L499-F521 HydrophobicContact CD1-CG 3.95Å; L499-F521 HydrophobicContact CG-CB 3.9Å; L499-F521 HydrophobicContact CG-CG 4.36Å; F521-D525 WeakPolarHBondContact CA-OD2 3.24Å; F521-L526 HydrophobicContact CD2-CD2 4.38Å; F521-L535 HydrophobicContact CE2-CD2 3.99Å; F521-L535 HydrophobicContact CZ-CD2 4.29Å; F521-A537 HydrophobicContact CE1-CB 3.99Å; F521-A537 HydrophobicContact CZ-CB 4.19Å; F521-F542 HydrophobicContact CD1-CE1 4.14Å; F521-F542 AromaticContact CE1-CE1 3.75Å; F521-F542 HydrophobicContact CE1-CE1 3.75Å; F521-F542 HydrophobicContact CE1-CZ 4.11Å; F521-F548 AromaticContact CD1-CE2 3.95Å; F521-F548 HydrophobicContact CD1-CE2 3.95Å; F521-F548 AromaticContact CE1-CE2 3.93Å; F521-F548 HydrophobicContact CE1-CE2 3.93Å; F521-F548 HydrophobicContact CE1-CZ 4.29Å; F521-F548 HydrophobicContact CG-CE2 4.46Å; F521-F548 HydrophobicContact CZ-CE2 4.43Å; F521-F548 VanDerWaalsContact O-CD2 3.3Å; F521-F548 WeakPolarHBondContact O-CD2 3.1Å; F521-F551 AromaticContact CD2-CE1 3.74Å; F521-F551 HydrophobicContact CD2-CE1 3.74Å; F521-F551 HydrophobicContact CD2-CZ 4.17Å; F521-F551 AromaticContact CE2-CE1 3.65Å; F521-F551 HydrophobicContact CE2-CE1 3.65Å; F521-F551 HydrophobicContact CE2-CZ 4.08Å; F521-F551 WeakPolarHBondContact O-CD1 3.49Å; F521-F551 WeakPolarHBondContact O-CE1 3.27Å; F521-L552 HydrophobicContact CE2-CD1 4.46Å; F521-L552 HydrophobicContact CZ-CD1 3.97Å; F521-Y571 HydrophobicContact CZ-CE1 4.49Å
522	G	89.8	Confident	92.7	Very high	18 Å²	18	55 Å²	55	19%	0.186	27%	0.268	C	S	.	.			trans	-128.9	-174.6	-176.7	0	0	0	0	0	113.7	S524 D525 L526	G522-S524 VanDerWaalsContact C-N 3.27Å; G522-S524 PolarHBondContact O-N 3.44Å; G522-D525 PolarHBondContact N-OD2 2.73Å; G522-D525 PolarHBondContact O-N 2.82Å; G522-L526 PolarHBondContact O-N 3.21Å
523	L	87.9	Confident	92.5	Very high	88 Å²	88	59.7 Å²	59.7	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-61.2	-36.2	178.6	-173.1	68.3	0	0	0	112.2	D525 L526 Q527 F551	L523-D525 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 3.32Å; L523-L526 PolarHBondContact O-N 3.23Å; L523-Q527 HydrophobicContact CG-CG 4.27Å; L523-Q527 WeakPolarHBondContact O-CB 3.12Å; L523-Q527 VanDerWaalsContact O-CG 3.26Å; L523-Q527 WeakPolarHBondContact O-CG 3.19Å; L523-Q527 PolarHBondContact O-N 2.78Å; L523-F551 HydrophobicContact CB-CD2 4.25Å; L523-F551 HydrophobicContact CB-CE2 4.12Å; L523-F551 HydrophobicContact CD1-CE2 4.46Å
524	S	87.9	Confident	92.4	Very high	81 Å²	81	61.9 Å²	61.9	57%	0.566	30%	0.302	S	S	*	.	H	α-helix	trans	-61.4	-39.3	177.6	50.5	0	0	0	0	112.6	G522 Q527 S528	G522-S524 VanDerWaalsContact C-N 3.27Å; G522-S524 PolarHBondContact O-N 3.44Å; S524-Q527 PolarHBondContact O-N 2.69Å; S524-S528 PolarHBondContact O-N 3.06Å
525	D	89.9	Confident	92.3	Very high	64 Å²	64	60.2 Å²	60.2	34%	0.342	29%	0.294	S	S	.	.	H	α-helix	trans	-67.7	-42.6	179	-54.2	-43.3	0	0	0	110	L499 F521 G522 L523 S528 F529	L499-D525 HydrophobicContact CD1-CB 3.98Å; F521-D525 WeakPolarHBondContact CA-OD2 3.24Å; G522-D525 PolarHBondContact N-OD2 2.73Å; G522-D525 PolarHBondContact O-N 2.82Å; L523-D525 VanDerWaalsContact C-N 3.32Å; L523-D525 PolarHBondContact O-N 3.32Å; D525-S528 WeakPolarHBondContact O-CB 3.45Å; D525-S528 PolarHBondContact O-N 2.69Å; D525-S528 PolarHBondContact O-OG 3.32Å; D525-F529 VanDerWaalsContact O-CD2 3.28Å; D525-F529 WeakPolarHBondContact O-CD2 3.34Å; D525-F529 WeakPolarHBondContact O-CE2 3.38Å
526	L	90.1	Very high	92.3	Very high	11 Å²	11	58.1 Å²	58.1	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-37.8	176.7	-61.2	-172.5	0	0	0	112.7	L499 F521 G522 L523 S528 F529 L532 L535 F551 V562	L499-L526 HydrophobicContact CD1-CD2 3.93Å; F521-L526 HydrophobicContact CD2-CD2 4.38Å; G522-L526 PolarHBondContact O-N 3.21Å; L523-L526 PolarHBondContact O-N 3.23Å; L526-S528 PolarHBondContact O-N 3.13Å; L526-F529 PolarHBondContact O-N 2.82Å; L526-L532 HydrophobicContact CD2-CD2 4.27Å; L526-L535 HydrophobicContact CD2-CD2 3.84Å; L526-F551 HydrophobicContact CD1-CE2 4.27Å; L526-F551 HydrophobicContact CD1-CZ 3.7Å; L526-F551 HydrophobicContact CG-CZ 4.44Å; L526-V562 HydrophobicContact CB-CG2 4.48Å; L526-V562 HydrophobicContact CD1-CB 4.38Å; L526-V562 HydrophobicContact CD1-CG2 4.32Å
527	Q	88.9	Confident	92.2	Very high	135 Å²	135	57.7 Å²	57.7	63%	0.631	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-21.8	176.1	-78.9	176.3	-9.9	0	0	113	L523 S524 F529	L523-Q527 HydrophobicContact CG-CG 4.27Å; L523-Q527 WeakPolarHBondContact O-CB 3.12Å; L523-Q527 VanDerWaalsContact O-CG 3.26Å; L523-Q527 WeakPolarHBondContact O-CG 3.19Å; L523-Q527 PolarHBondContact O-N 2.78Å; S524-Q527 PolarHBondContact O-N 2.69Å; Q527-F529 PolarHBondContact O-N 3.34Å
528	S	91.5	Very high	92	Very high	27 Å²	27	55.3 Å²	55.3	19%	0.189	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.5	172.8	81.4	0	0	0	0	112.4	G502 S524 D525 L526	G502-S528 CarbonylContact C-O 3.56Å; G502-S528 WeakPolarHBondContact CA-OG 3.09Å; G502-S528 PolarHBondContact N-OG 3.04Å; G502-S528 VanDerWaalsContact N-OG 3.1Å; S524-S528 PolarHBondContact O-N 3.06Å; D525-S528 WeakPolarHBondContact O-CB 3.45Å; D525-S528 PolarHBondContact O-N 2.69Å; D525-S528 PolarHBondContact O-OG 3.32Å; L526-S528 PolarHBondContact O-N 3.13Å
529	F	93.1	Very high	92	Very high	10 Å²	10	60.2 Å²	60.2	4%	0.044	29%	0.288	C	S	.	.			trans	-95.2	116.5	174.5	-56.1	-89.2	0	0	0	110.8	P500 G502 F505 L508 L511 D525 L526 Q527 L532	P500-F529 HydrophobicContact CG-CZ 4.36Å; P500-F529 VanDerWaalsContact O-CZ 3.28Å; P500-F529 WeakPolarHBondContact O-CZ 3.07Å; G502-F529 VanDerWaalsContact CA-CD1 3.48Å; F505-F529 HydrophobicContact CD2-CE1 4.22Å; L508-F529 HydrophobicContact CD2-CD1 3.78Å; L508-F529 HydrophobicContact CD2-CE1 3.68Å; L511-F529 HydrophobicContact CD2-CE1 4.39Å; L511-F529 HydrophobicContact CD2-CZ 4.05Å; D525-F529 VanDerWaalsContact O-CD2 3.28Å; D525-F529 WeakPolarHBondContact O-CD2 3.34Å; D525-F529 WeakPolarHBondContact O-CE2 3.38Å; L526-F529 PolarHBondContact O-N 2.82Å; Q527-F529 PolarHBondContact O-N 3.34Å; F529-L532 HydrophobicContact CB-CB 3.62Å; F529-L532 HydrophobicContact CB-CD2 4.28Å; F529-L532 HydrophobicContact CD2-CD2 4.18Å; F529-L532 HydrophobicContact CG-CB 4.32Å; F529-L532 HydrophobicContact CG-CD2 4.2Å
530	R	90.9	Very high	92.1	Very high	219 Å²	219	58.1 Å²	58.1	83%	0.826	28%	0.276	S	S	*	.	S	Bend	trans	-76	-26.5	-173.6	-64.6	-175.2	179.9	-174.7	0.5	114.7
531	R	93.8	Very high	92.2	Very high	149 Å²	149	59 Å²	59	56%	0.562	28%	0.278	S	S	*	.	S	Bend	trans	-130.5	13.9	-169.6	-71.2	-176.8	166.1	171	-4.9	113.4	N507 L508 E533	N507-R531 PolarHBondContact OD1-NH1 2.77Å; L508-R531 CarbonylContact O-C 3.56Å; L508-R531 VanDerWaalsContact O-O 3.05Å; R531-E533 PolarHBondContact O-N 2.76Å
532	L	94.4	Very high	92.4	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	28%	0.277	C	S	.	.			trans	-69.5	123.5	-177.2	-172.8	72.4	0	0	0	109.7	L508 L511 L526 F529 V562	L508-L532 HydrophobicContact CD2-CD1 4.31Å; L508-L532 HydrophobicContact CG-CD1 4.38Å; L508-L532 VanDerWaalsContact O-CA 3.24Å; L508-L532 WeakPolarHBondContact O-CA 3.13Å; L508-L532 PolarHBondContact O-N 2.92Å; L508-L532 VanDerWaalsContact O-N 3.08Å; L511-L532 HydrophobicContact CB-CD1 3.78Å; L526-L532 HydrophobicContact CD2-CD2 4.27Å; F529-L532 HydrophobicContact CB-CB 3.62Å; F529-L532 HydrophobicContact CB-CD2 4.28Å; F529-L532 HydrophobicContact CD2-CD2 4.18Å; F529-L532 HydrophobicContact CG-CB 4.32Å; F529-L532 HydrophobicContact CG-CD2 4.2Å; L532-V562 HydrophobicContact CB-CG2 4.42Å; L532-V562 HydrophobicContact CD2-CG1 3.92Å; L532-V562 HydrophobicContact CD2-CG2 4.3Å; L532-V562 HydrophobicContact CG-CG1 4.08Å; L532-V562 HydrophobicContact CG-CG2 4.48Å
533	E	92	Very high	92.6	Very high	104 Å²	104	61 Å²	61	49%	0.486	28%	0.284	S	S	.	.			trans	-110.2	-43.1	-179.9	-69.3	177.2	-164.7	0	0	110.6	Q509 R531 K563	Q509-E533 PolarHBondContact O-N 2.98Å; R531-E533 PolarHBondContact O-N 2.76Å; E533-K563 WeakPolarHBondContact O-CB 3.44Å; E533-K563 PolarHBondContact O-N 3.43Å
534	N	94.1	Very high	92.9	Very high	47 Å²	47	56.9 Å²	56.9	25%	0.251	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.6	-172.8	-58.4	-55.1	0	0	0	110.8	Q509 T510 L511 T565	Q509-N534 PolarHBondContact O-N 2.83Å; T510-N534 WeakPolarHBondContact CA-O 3.27Å; T510-N534 HydrophobicContact CG2-CB 4.22Å; L511-N534 PolarHBondContact N-O 2.8Å; N534-T565 HydrophobicContact CB-CG2 3.87Å; N534-T565 VanDerWaalsContact OD1-CG2 3.3Å; N534-T565 WeakPolarHBondContact OD1-CG2 3.32Å
535	L	93.8	Very high	93	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.7	172.8	177.3	64.5	0	0	0	110.3	L511 F521 L526 A537 V562 K563 L564 T565	L511-L535 HydrophobicContact CB-CD1 4.13Å; L511-L535 HydrophobicContact CD2-CD1 4.06Å; L511-L535 HydrophobicContact CG-CD1 4.04Å; L511-L535 WeakPolarHBondContact O-CA 3.47Å; F521-L535 HydrophobicContact CE2-CD2 3.99Å; F521-L535 HydrophobicContact CZ-CD2 4.29Å; L526-L535 HydrophobicContact CD2-CD2 3.84Å; L535-A537 HydrophobicContact CD1-CB 4.42Å; L535-A537 HydrophobicContact CD2-CB 4.47Å; L535-A537 HydrophobicContact CG-CB 4.29Å; L535-V562 HydrophobicContact CB-CG1 3.73Å; L535-K563 PolarHBondContact N-O 2.03Å; L535-L564 HydrophobicContact CB-CD2 4.11Å; L535-L564 HydrophobicContact CD2-CD2 3.93Å; L535-L564 HydrophobicContact CG-CD2 4.15Å; L535-L564 WeakPolarHBondContact O-CA 3.5Å; L535-T565 PolarHBondContact O-N 3.17Å; L535-T565 PolarHBondContact O-OG1 2.6Å
536	Q	95.1	Very high	92.9	Very high	53 Å²	53	53 Å²	53	25%	0.248	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.5	166.9	-62.6	-177	6	0	0	108.6	L511 T512 M513 Q514 T565 D566	L511-Q536 PolarHBondContact O-N 3.1Å; T512-Q536 HydrophobicContact CG2-CB 4.19Å; T512-Q536 HydrophobicContact CG2-CG 4.26Å; M513-Q536 PolarHBondContact N-O 3.45Å; Q514-Q536 HydrophobicContact CG-CB 3.98Å; Q514-Q536 VanDerWaalsContact NE2-OE1 3.12Å; Q536-T565 WeakPolarHBondContact CG-OG1 3.3Å; Q536-T565 PolarHBondContact NE2-OG1 2.53Å; Q536-D566 WeakPolarHBondContact CA-OD2 3.47Å; Q536-D566 HydrophobicContact CB-CB 4.2Å; Q536-D566 HydrophobicContact CG-CB 4.08Å
537	A	94.6	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.268	C	S	.	.			trans	-137.2	6.8	-175.6	0	0	0	0	0	113.1	F521 L535 N540 F542 D566 Y571	F521-A537 HydrophobicContact CE1-CB 3.99Å; F521-A537 HydrophobicContact CZ-CB 4.19Å; L535-A537 HydrophobicContact CD1-CB 4.42Å; L535-A537 HydrophobicContact CD2-CB 4.47Å; L535-A537 HydrophobicContact CG-CB 4.29Å; A537-N540 PolarHBondContact O-ND2 2.91Å; A537-F542 WeakPolarHBondContact O-CZ 3.26Å; A537-D566 PolarHBondContact N-OD2 3.5Å; A537-Y571 HydrophobicContact CB-CE1 4.35Å
538	G	92.6	Very high	92.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.238	C	C	.	.			trans	-62.1	170.6	176.8	0	0	0	0	0	113.5	Q514 F515 N540 D566	Q514-G538 VanDerWaalsContact CA-O 3.27Å; Q514-G538 WeakPolarHBondContact CA-O 3.49Å; F515-G538 PolarHBondContact N-O 2.83Å; G538-N540 VanDerWaalsContact C-N 3.32Å; G538-N540 PolarHBondContact O-N 2.87Å; G538-N540 PolarHBondContact O-ND2 2.84Å; G538-N540 VanDerWaalsContact O-ND2 3.14Å; G538-D566 WeakPolarHBondContact CA-OD2 3.46Å; G538-D566 PolarHBondContact N-OD2 3.11Å
539	Y	94.7	Very high	92.9	Very high	104 Å²	104	51 Å²	51	41%	0.408	23%	0.23	S	C	.	.	S	Bend	trans	55.6	44.6	-179.3	-54.6	-81.6	0	0	0	112.8	F515 G570	F515-Y539 VanDerWaalsContact CA-O 3.26Å; F515-Y539 WeakPolarHBondContact CA-O 3.21Å; F515-Y539 HydrophobicContact CD1-CG 4.28Å; F515-Y539 HydrophobicContact CE1-CD1 4.12Å; F515-Y539 HydrophobicContact CE1-CD2 4.12Å; F515-Y539 AromaticContact CE1-CG 3.65Å; F515-Y539 HydrophobicContact CE1-CG 3.65Å; F515-Y539 HydrophobicContact CE2-CD2 4.47Å; F515-Y539 AromaticContact CZ-CD2 3.89Å; F515-Y539 HydrophobicContact CZ-CD2 3.89Å; F515-Y539 AromaticContact CZ-CG 3.92Å; F515-Y539 HydrophobicContact CZ-CG 3.92Å; F515-Y539 PolarHBondContact N-O 2.88Å; Y539-G570 PolarHBondContact N-O 3.06Å
540	N	95.8	Very high	92.6	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.064	25%	0.253	C	S	.	.	S	Bend	trans	-116.2	173	178.6	-91.1	-79.2	0	0	0	111.8	M513 N516 T517 L518 A537 G538 F542	M513-N540 PolarHBondContact O-ND2 2.82Å; N516-N540 WeakPolarHBondContact CA-OD1 3.35Å; N516-N540 WeakPolarHBondContact CB-OD1 3.31Å; N516-N540 PolarHBondContact N-OD1 2.86Å; N516-N540 PolarHBondContact O-OD1 3.35Å; T517-N540 PolarHBondContact N-OD1 3.5Å; L518-N540 HydrophobicContact CB-CB 3.96Å; L518-N540 VanDerWaalsContact CB-OD1 3.26Å; L518-N540 WeakPolarHBondContact CB-OD1 3.32Å; L518-N540 WeakPolarHBondContact CG-OD1 3.44Å; L518-N540 PolarHBondContact N-OD1 2.73Å; A537-N540 PolarHBondContact O-ND2 2.91Å; G538-N540 VanDerWaalsContact C-N 3.32Å; G538-N540 PolarHBondContact O-N 2.87Å; G538-N540 PolarHBondContact O-ND2 2.84Å; G538-N540 VanDerWaalsContact O-ND2 3.14Å; N540-F542 HydrophobicContact CB-CD1 4.34Å; N540-F542 HydrophobicContact CB-CD2 4.17Å; N540-F542 HydrophobicContact CB-CE1 3.89Å; N540-F542 HydrophobicContact CB-CE2 3.73Å; N540-F542 HydrophobicContact CB-CG 4.49Å; N540-F542 HydrophobicContact CB-CZ 3.61Å; N540-F542 PolarHBondContact O-N 3.31Å
541	K	93.8	Very high	92.5	Very high	105 Å²	105	46.2 Å²	46.2	46%	0.457	22%	0.22	S	C	.	.			trans	-93.6	62.9	-177.1	-66.2	-61.6	-169.3	176.7	0	112.1	L518 I543 D574	L518-K541 CarbonylContact O-C 3.57Å; L518-K541 PolarHBondContact O-N 2.49Å; L518-K541 VanDerWaalsContact O-O 3.12Å; K541-I543 PolarHBondContact O-N 3.25Å; K541-D574 HydrophobicContact CB-CB 4.37Å; K541-D574 HydrophobicContact CD-CB 4.02Å; K541-D574 WeakPolarHBondContact CD-OD1 3.37Å; K541-D574 IonicContact NZ-OD1 2.72Å; K541-D574 PolarHBondContact NZ-OD1 3.19Å
542	F	95.2	Very high	92.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.8	-171.8	-63.7	-61.5	0	0	0	113.4	L518 N519 F521 A537 N540 F548 Y571 D574 S575	L518-F542 HydrophobicContact CB-CE1 4.4Å; N519-F542 CarbonylContact O-C 3.52Å; N519-F542 VanDerWaalsContact O-CA 3.3Å; N519-F542 WeakPolarHBondContact O-CA 3.48Å; F521-F542 HydrophobicContact CD1-CE1 4.14Å; F521-F542 AromaticContact CE1-CE1 3.75Å; F521-F542 HydrophobicContact CE1-CE1 3.75Å; F521-F542 HydrophobicContact CE1-CZ 4.11Å; A537-F542 WeakPolarHBondContact O-CZ 3.26Å; N540-F542 HydrophobicContact CB-CD1 4.34Å; N540-F542 HydrophobicContact CB-CD2 4.17Å; N540-F542 HydrophobicContact CB-CE1 3.89Å; N540-F542 HydrophobicContact CB-CE2 3.73Å; N540-F542 HydrophobicContact CB-CG 4.49Å; N540-F542 HydrophobicContact CB-CZ 3.61Å; N540-F542 PolarHBondContact O-N 3.31Å; F542-F548 HydrophobicContact CB-CE1 3.82Å; F542-F548 HydrophobicContact CB-CZ 4.29Å; F542-F548 AromaticContact CD1-CE1 3.88Å; F542-F548 HydrophobicContact CD1-CE1 3.88Å; F542-F548 HydrophobicContact CD1-CE2 4.26Å; F542-F548 AromaticContact CD1-CZ 3.45Å; F542-F548 HydrophobicContact CD1-CZ 3.45Å; F542-F548 VanDerWaalsContact CD1-CZ 3.45Å; F542-F548 HydrophobicContact CE1-CE2 4.42Å; F542-F548 AromaticContact CE1-CZ 3.77Å; F542-F548 HydrophobicContact CE1-CZ 3.77Å; F542-F548 AromaticContact CG-CE1 3.89Å; F542-F548 HydrophobicContact CG-CE1 3.89Å; F542-F548 AromaticContact CG-CZ 3.87Å; F542-F548 HydrophobicContact CG-CZ 3.87Å; F542-F548 HydrophobicContact CZ-CZ 4.4Å; F542-Y571 HydrophobicContact CD2-CD1 4.47Å; F542-Y571 AromaticContact CE2-CD1 3.59Å; F542-Y571 HydrophobicContact CE2-CD1 3.59Å; F542-Y571 HydrophobicContact CE2-CE1 4.16Å; F542-Y571 HydrophobicContact CE2-CG 4.42Å; F542-Y571 AromaticContact CZ-CD1 3.84Å; F542-Y571 HydrophobicContact CZ-CD1 3.84Å; F542-Y571 AromaticContact CZ-CE1 3.97Å; F542-Y571 HydrophobicContact CZ-CE1 3.97Å; F542-D574 PolarHBondContact O-N 3.23Å; F542-S575 PolarHBondContact O-N 2.94Å
543	I	94.7	Very high	91.9	Very high	63 Å²	63	40.5 Å²	40.5	32%	0.323	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	103.2	167.7	-53.8	-179.2	0	0	0	107.2	N519 K541 T545 S575	N519-I543 HydrophobicContact CB-CD1 3.8Å; N519-I543 HydrophobicContact CB-CG1 3.98Å; N519-I543 PolarHBondContact O-N 3.36Å; K541-I543 PolarHBondContact O-N 3.25Å; I543-T545 VanDerWaalsContact C-N 3.32Å; I543-T545 HydrophobicContact CG2-CG2 4.1Å; I543-T545 PolarHBondContact O-N 3.25Å; I543-S575 CarbonylContact C-O 3.57Å; I543-S575 WeakPolarHBondContact CA-O 3.18Å
544	C	93.5	Very high	91.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	19%	0.194	C	C	.	.			trans	-76.4	80.6	-177.5	-73.6	0	0	0	0	111.9	V549 C573 S575 L579	C544-V549 HydrophobicContact CB-CG2 3.7Å; C544-C573 HydrophobicContact CB-CB 3.85Å; C544-C573 WeakPolarHBondContact CB-SG 3.47Å; C544-C573 WeakPolarHBondContact SG-CA 3.33Å; C544-C573 WeakPolarHBondContact SG-CB 3.36Å; C544-C573 CovalentContact SG-SG 2.02Å; C544-C573 PolarHBondContact SG-SG 3.12Å; C544-S575 PolarHBondContact N-O 3.33Å; C544-L579 HydrophobicContact CB-CD1 4.27Å
545	T	90.9	Very high	90.8	Very high	45 Å²	45	37.7 Å²	37.7	28%	0.276	19%	0.191	S	C	.	.			trans	-81.9	162	167.9	65.6	0	0	0	0	110.9	I543 D547 F548 V549	I543-T545 VanDerWaalsContact C-N 3.32Å; I543-T545 HydrophobicContact CG2-CG2 4.1Å; I543-T545 PolarHBondContact O-N 3.25Å; T545-D547 VanDerWaalsContact C-N 3.27Å; T545-D547 PolarHBondContact O-N 2.78Å; T545-F548 PolarHBondContact O-N 3.09Å; T545-F548 WeakPolarHBondContact OG1-CB 3.4Å; T545-F548 PolarHBondContact OG1-N 2.62Å; T545-V549 WeakPolarHBondContact O-CG2 3.39Å; T545-V549 PolarHBondContact O-N 3.22Å
546	C	88.3	Confident	89.6	Confident	18 Å²	18	39.6 Å²	39.6	12%	0.122	20%	0.2	C	C	.	.	H	α-helix	trans	-57.1	-41.6	177.6	-63.9	0	0	0	0	112.6	N550 C594	C546-N550 WeakPolarHBondContact O-CB 3.36Å; C546-N550 PolarHBondContact O-N 3.43Å; C546-N550 PolarHBondContact O-ND2 3.26Å; C546-N550 VanDerWaalsContact O-ND2 3.1Å; C546-C594 HydrophobicContact CB-CB 3.7Å; C546-C594 WeakPolarHBondContact CB-SG 3.45Å; C546-C594 WeakPolarHBondContact SG-CA 3.38Å; C546-C594 WeakPolarHBondContact SG-CB 3.05Å; C546-C594 CovalentContact SG-SG 2.01Å; C546-C594 PolarHBondContact SG-SG 2.94Å
547	D	87.4	Confident	88.2	Confident	126 Å²	126	45 Å²	45	67%	0.674	22%	0.223	S	C	*	.	H	α-helix	trans	-65.6	-45.3	179.2	-59.8	-30.5	0	0	0	111.4	T545 F551	T545-D547 VanDerWaalsContact C-N 3.27Å; T545-D547 PolarHBondContact O-N 2.78Å; D547-F551 WeakPolarHBondContact O-CB 3.3Å; D547-F551 PolarHBondContact O-N 2.79Å
548	F	90.8	Very high	86.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-65.9	-48.2	-179.2	179.2	-110.2	0	0	0	112.2	M520 F521 F542 T545 F551 L552 V584	M520-F548 HydrophobicContact CB-CB 4.44Å; M520-F548 HydrophobicContact CB-CD2 4.02Å; M520-F548 HydrophobicContact CB-CG 4.24Å; F521-F548 AromaticContact CD1-CE2 3.95Å; F521-F548 HydrophobicContact CD1-CE2 3.95Å; F521-F548 AromaticContact CE1-CE2 3.93Å; F521-F548 HydrophobicContact CE1-CE2 3.93Å; F521-F548 HydrophobicContact CE1-CZ 4.29Å; F521-F548 HydrophobicContact CG-CE2 4.46Å; F521-F548 HydrophobicContact CZ-CE2 4.43Å; F521-F548 VanDerWaalsContact O-CD2 3.3Å; F521-F548 WeakPolarHBondContact O-CD2 3.1Å; F542-F548 HydrophobicContact CB-CE1 3.82Å; F542-F548 HydrophobicContact CB-CZ 4.29Å; F542-F548 AromaticContact CD1-CE1 3.88Å; F542-F548 HydrophobicContact CD1-CE1 3.88Å; F542-F548 HydrophobicContact CD1-CE2 4.26Å; F542-F548 AromaticContact CD1-CZ 3.45Å; F542-F548 HydrophobicContact CD1-CZ 3.45Å; F542-F548 VanDerWaalsContact CD1-CZ 3.45Å; F542-F548 HydrophobicContact CE1-CE2 4.42Å; F542-F548 AromaticContact CE1-CZ 3.77Å; F542-F548 HydrophobicContact CE1-CZ 3.77Å; F542-F548 AromaticContact CG-CE1 3.89Å; F542-F548 HydrophobicContact CG-CE1 3.89Å; F542-F548 AromaticContact CG-CZ 3.87Å; F542-F548 HydrophobicContact CG-CZ 3.87Å; F542-F548 HydrophobicContact CZ-CZ 4.4Å; T545-F548 PolarHBondContact O-N 3.09Å; T545-F548 WeakPolarHBondContact OG1-CB 3.4Å; T545-F548 PolarHBondContact OG1-N 2.62Å; F548-F551 HydrophobicContact CD2-CD1 4.47Å; F548-F551 PolarHBondContact O-N 2.62Å; F548-L552 HydrophobicContact CZ-CD2 4.3Å; F548-L552 WeakPolarHBondContact O-CB 3.22Å; F548-L552 PolarHBondContact O-N 2.9Å; F548-V584 HydrophobicContact CE1-CG1 4.4Å; F548-V584 HydrophobicContact CE1-CG2 4.31Å
549	V	90.9	Very high	85	Confident	3 Å²	3	59.4 Å²	59.4	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-62.3	-46.7	179.8	174.7	0	0	0	0	110.5	C544 T545 F551 L552 Q553 V584 A587 L589	C544-V549 HydrophobicContact CB-CG2 3.7Å; T545-V549 WeakPolarHBondContact O-CG2 3.39Å; T545-V549 PolarHBondContact O-N 3.22Å; V549-F551 PolarHBondContact O-N 2.76Å; V549-L552 PolarHBondContact O-N 2.94Å; V549-Q553 HydrophobicContact CG1-CG 4.26Å; V549-Q553 VanDerWaalsContact CG1-NE2 3.29Å; V549-Q553 VanDerWaalsContact O-CB 3.29Å; V549-Q553 WeakPolarHBondContact O-CB 3.11Å; V549-Q553 VanDerWaalsContact O-CG 3.22Å; V549-Q553 WeakPolarHBondContact O-CG 3.28Å; V549-Q553 PolarHBondContact O-N 2.95Å; V549-V584 HydrophobicContact CB-CG1 4.48Å; V549-V584 HydrophobicContact CG1-CG1 4.41Å; V549-V584 HydrophobicContact CG2-CG1 4.23Å; V549-A587 HydrophobicContact CG1-CB 4.25Å; V549-L589 HydrophobicContact CB-CD1 4.11Å; V549-L589 HydrophobicContact CG1-CD1 4.24Å; V549-L589 HydrophobicContact CG2-CD1 3.71Å
550	N	87.9	Confident	83.5	Confident	100 Å²	100	55.5 Å²	55.5	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-45.4	178.5	-72.9	-20.5	0	0	0	111.8	C546 S554	C546-N550 WeakPolarHBondContact O-CB 3.36Å; C546-N550 PolarHBondContact O-N 3.43Å; C546-N550 PolarHBondContact O-ND2 3.26Å; C546-N550 VanDerWaalsContact O-ND2 3.1Å; N550-S554 WeakPolarHBondContact O-CB 3.37Å; N550-S554 PolarHBondContact O-N 2.79Å
551	F	88.6	Confident	82.4	Confident	29 Å²	29	62.9 Å²	62.9	13%	0.127	33%	0.326	C	S	.	.	H	α-helix	trans	-58.6	-52.7	176.5	158.6	-105.6	0	0	0	111.8	F521 L523 L526 D547 F548 V549 Q553 S554 Q555	F521-F551 AromaticContact CD2-CE1 3.74Å; F521-F551 HydrophobicContact CD2-CE1 3.74Å; F521-F551 HydrophobicContact CD2-CZ 4.17Å; F521-F551 AromaticContact CE2-CE1 3.65Å; F521-F551 HydrophobicContact CE2-CE1 3.65Å; F521-F551 HydrophobicContact CE2-CZ 4.08Å; F521-F551 WeakPolarHBondContact O-CD1 3.49Å; F521-F551 WeakPolarHBondContact O-CE1 3.27Å; L523-F551 HydrophobicContact CB-CD2 4.25Å; L523-F551 HydrophobicContact CB-CE2 4.12Å; L523-F551 HydrophobicContact CD1-CE2 4.46Å; L526-F551 HydrophobicContact CD1-CE2 4.27Å; L526-F551 HydrophobicContact CD1-CZ 3.7Å; L526-F551 HydrophobicContact CG-CZ 4.44Å; D547-F551 WeakPolarHBondContact O-CB 3.3Å; D547-F551 PolarHBondContact O-N 2.79Å; F548-F551 HydrophobicContact CD2-CD1 4.47Å; F548-F551 PolarHBondContact O-N 2.62Å; V549-F551 PolarHBondContact O-N 2.76Å; F551-Q553 PolarHBondContact O-N 3.34Å; F551-S554 WeakPolarHBondContact O-CB 3.32Å; F551-S554 PolarHBondContact O-N 3.32Å; F551-Q555 HydrophobicContact CD2-CG 3.97Å; F551-Q555 HydrophobicContact CE2-CG 3.48Å; F551-Q555 VanDerWaalsContact CE2-CG 3.48Å; F551-Q555 HydrophobicContact CZ-CG 3.84Å; F551-Q555 WeakPolarHBondContact O-CG 3.33Å; F551-Q555 PolarHBondContact O-N 2.9Å
552	L	87.9	Confident	81.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.4	-40.4	-175	-161.5	79.2	0	0	0	111.4	F521 F548 V549 S554 Q555 L556 L564 Y571 V584	F521-L552 HydrophobicContact CE2-CD1 4.46Å; F521-L552 HydrophobicContact CZ-CD1 3.97Å; F548-L552 HydrophobicContact CZ-CD2 4.3Å; F548-L552 WeakPolarHBondContact O-CB 3.22Å; F548-L552 PolarHBondContact O-N 2.9Å; V549-L552 PolarHBondContact O-N 2.94Å; L552-S554 VanDerWaalsContact C-N 3.31Å; L552-S554 PolarHBondContact O-N 2.93Å; L552-Q555 PolarHBondContact O-N 2.89Å; L552-L556 HydrophobicContact CD2-CD1 4.43Å; L552-L556 HydrophobicContact CG-CD1 4.26Å; L552-L556 WeakPolarHBondContact O-CB 3.3Å; L552-L556 VanDerWaalsContact O-CG 3.24Å; L552-L556 WeakPolarHBondContact O-CG 3.16Å; L552-L556 PolarHBondContact O-N 3.46Å; L552-L564 HydrophobicContact CD1-CD1 4.02Å; L552-Y571 HydrophobicContact CD1-CD1 4.31Å; L552-Y571 HydrophobicContact CD1-CE1 4.18Å; L552-Y571 HydrophobicContact CD2-CD1 3.6Å; L552-Y571 HydrophobicContact CD2-CE1 4.29Å; L552-Y571 HydrophobicContact CD2-CG 3.94Å; L552-V584 HydrophobicContact CB-CG1 4.11Å; L552-V584 HydrophobicContact CD2-CB 3.78Å; L552-V584 HydrophobicContact CD2-CG1 3.5Å; L552-V584 VanDerWaalsContact CD2-CG1 3.5Å; L552-V584 HydrophobicContact CD2-CG2 4.2Å; L552-V584 HydrophobicContact CG-CG1 4.41Å
553	Q	86.6	Confident	81.5	Confident	38 Å²	38	64.9 Å²	64.9	18%	0.178	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-38.5	174	-72.8	-179.9	4.3	0	0	112	V549 F551 K557 V584 A587	V549-Q553 HydrophobicContact CG1-CG 4.26Å; V549-Q553 VanDerWaalsContact CG1-NE2 3.29Å; V549-Q553 VanDerWaalsContact O-CB 3.29Å; V549-Q553 WeakPolarHBondContact O-CB 3.11Å; V549-Q553 VanDerWaalsContact O-CG 3.22Å; V549-Q553 WeakPolarHBondContact O-CG 3.28Å; V549-Q553 PolarHBondContact O-N 2.95Å; F551-Q553 PolarHBondContact O-N 3.34Å; Q553-K557 WeakPolarHBondContact O-CB 3.42Å; Q553-K557 VanDerWaalsContact O-CG 3.27Å; Q553-K557 WeakPolarHBondContact O-CG 3.12Å; Q553-K557 PolarHBondContact O-N 3.45Å; Q553-V584 PolarHBondContact NE2-O 3.29Å; Q553-A587 PolarHBondContact NE2-O 3.42Å
554	S	83.4	Confident	81.2	Confident	53 Å²	53	63.6 Å²	63.6	37%	0.371	33%	0.33	S	S	.	.	H	α-helix	trans	-64.2	-46.3	174.3	-172.1	0	0	0	0	111.5	N550 F551 L552 L556 K557 Q558	N550-S554 WeakPolarHBondContact O-CB 3.37Å; N550-S554 PolarHBondContact O-N 2.79Å; F551-S554 WeakPolarHBondContact O-CB 3.32Å; F551-S554 PolarHBondContact O-N 3.32Å; L552-S554 VanDerWaalsContact C-N 3.31Å; L552-S554 PolarHBondContact O-N 2.93Å; S554-L556 PolarHBondContact O-N 3.19Å; S554-K557 PolarHBondContact O-N 3.2Å; S554-Q558 WeakPolarHBondContact O-CB 3.23Å; S554-Q558 PolarHBondContact O-N 2.97Å
555	Q	80.1	Confident	80.8	Confident	39 Å²	39	66.2 Å²	66.2	18%	0.182	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-42.7	177.8	-73	-62	-46.1	0	0	112.2	F551 L552 K557	F551-Q555 HydrophobicContact CD2-CG 3.97Å; F551-Q555 HydrophobicContact CE2-CG 3.48Å; F551-Q555 VanDerWaalsContact CE2-CG 3.48Å; F551-Q555 HydrophobicContact CZ-CG 3.84Å; F551-Q555 WeakPolarHBondContact O-CG 3.33Å; F551-Q555 PolarHBondContact O-N 2.9Å; L552-Q555 PolarHBondContact O-N 2.89Å; Q555-K557 PolarHBondContact O-N 2.83Å
556	L	68.5	Low	80.5	Confident	39 Å²	39	65 Å²	65	20%	0.204	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-24.2	177.4	-73.3	169.5	0	0	0	113.6	L552 S554 L564 K568	L552-L556 HydrophobicContact CD2-CD1 4.43Å; L552-L556 HydrophobicContact CG-CD1 4.26Å; L552-L556 WeakPolarHBondContact O-CB 3.3Å; L552-L556 VanDerWaalsContact O-CG 3.24Å; L552-L556 WeakPolarHBondContact O-CG 3.16Å; L552-L556 PolarHBondContact O-N 3.46Å; S554-L556 PolarHBondContact O-N 3.19Å; L556-L564 HydrophobicContact CD2-CD1 4.04Å; L556-L564 HydrophobicContact CG-CD1 4.47Å; L556-K568 HydrophobicContact CD2-CD 4.19Å; L556-K568 HydrophobicContact CD2-CG 4.1Å
557	K	66.4	Low	80.2	Confident	168 Å²	168	73 Å²	73	73%	0.73	37%	0.366	S	S	*	.	H	α-helix	trans	-94.6	-36	-179.2	-74.6	175.7	-178	174.9	0	113.5	Q553 S554 Q555	Q553-K557 WeakPolarHBondContact O-CB 3.42Å; Q553-K557 VanDerWaalsContact O-CG 3.27Å; Q553-K557 WeakPolarHBondContact O-CG 3.12Å; Q553-K557 PolarHBondContact O-N 3.45Å; S554-K557 PolarHBondContact O-N 3.2Å; Q555-K557 PolarHBondContact O-N 2.83Å
558	Q	60.2	Low	79.9	Confident	151 Å²	151	73.4 Å²	73.4	71%	0.706	36%	0.361	S	S	*	.	H	α-helix	trans	-101.8	7	-169.2	-75	-165.6	-15.9	0	0	116	S554 G560	S554-Q558 WeakPolarHBondContact O-CB 3.23Å; S554-Q558 PolarHBondContact O-N 2.97Å; Q558-G560 VanDerWaalsContact C-N 3.31Å; Q558-G560 PolarHBondContact O-N 2.97Å
559	N	59.9	Low	79.6	Confident	150 Å²	150	77 Å²	77	80%	0.802	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	52.8	179.4	-140.7	41.2	0	0	0	110.5
560	G	62.7	Low	79.4	Confident	23 Å²	23	76.9 Å²	76.9	24%	0.237	38%	0.38	C	S	.	.			trans	-58.9	169	-174.8	0	0	0	0	0	113.2	Q558 V562	Q558-G560 VanDerWaalsContact C-N 3.31Å; Q558-G560 PolarHBondContact O-N 2.97Å; G560-V562 CarbonylContact O-C 3.53Å; G560-V562 PolarHBondContact O-N 2.73Å
561	N	73.4	Confident	79.6	Confident	167 Å²	167	72.3 Å²	72.3	89%	0.893	36%	0.356	S	S	*	.	S	Bend	trans	-54.9	-25.9	-175.7	-66.4	-1.4	0	0	0	113.9
562	V	83.5	Confident	79.9	Confident	18 Å²	18	73.3 Å²	73.3	11%	0.109	36%	0.364	C	S	.	.	S	Bend	trans	-106.5	122.2	173.3	-175.7	0	0	0	0	108.8	L526 L532 L535 G560	L526-V562 HydrophobicContact CB-CG2 4.48Å; L526-V562 HydrophobicContact CD1-CB 4.38Å; L526-V562 HydrophobicContact CD1-CG2 4.32Å; L532-V562 HydrophobicContact CB-CG2 4.42Å; L532-V562 HydrophobicContact CD2-CG1 3.92Å; L532-V562 HydrophobicContact CD2-CG2 4.3Å; L532-V562 HydrophobicContact CG-CG1 4.08Å; L532-V562 HydrophobicContact CG-CG2 4.48Å; L535-V562 HydrophobicContact CB-CG1 3.73Å; G560-V562 CarbonylContact O-C 3.53Å; G560-V562 PolarHBondContact O-N 2.73Å
563	K	85.9	Confident	80.2	Confident	129 Å²	129	73.4 Å²	73.4	56%	0.561	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.7	177.6	-170.4	177.3	179.5	-177.4	0	110.4	E533 L535 T565	E533-K563 WeakPolarHBondContact O-CB 3.44Å; E533-K563 PolarHBondContact O-N 3.43Å; L535-K563 PolarHBondContact N-O 2.03Å; K563-T565 HydrophobicContact CD-CG2 4.32Å; K563-T565 HydrophobicContact CG-CG2 4.2Å; K563-T565 PolarHBondContact O-N 3.39Å
564	L	87.6	Confident	80.6	Confident	36 Å²	36	73.6 Å²	73.6	19%	0.188	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	112	164.9	-57.9	-179.3	0	0	0	107.9	L535 L552 L556 Y571	L535-L564 HydrophobicContact CB-CD2 4.11Å; L535-L564 HydrophobicContact CD2-CD2 3.93Å; L535-L564 HydrophobicContact CG-CD2 4.15Å; L535-L564 WeakPolarHBondContact O-CA 3.5Å; L552-L564 HydrophobicContact CD1-CD1 4.02Å; L556-L564 HydrophobicContact CD2-CD1 4.04Å; L556-L564 HydrophobicContact CG-CD1 4.47Å; L564-Y571 HydrophobicContact CD1-CE2 4.34Å; L564-Y571 WeakPolarHBondContact CD2-OH 3.43Å
565	T	85	Confident	81	Confident	56 Å²	56	73.2 Å²	73.2	34%	0.344	36%	0.364	S	S	.	.			trans	-96.5	-10.5	-173.1	53.4	0	0	0	0	113.6	N534 L535 Q536 K563	N534-T565 HydrophobicContact CB-CG2 3.87Å; N534-T565 VanDerWaalsContact OD1-CG2 3.3Å; N534-T565 WeakPolarHBondContact OD1-CG2 3.32Å; L535-T565 PolarHBondContact O-N 3.17Å; L535-T565 PolarHBondContact O-OG1 2.6Å; Q536-T565 WeakPolarHBondContact CG-OG1 3.3Å; Q536-T565 PolarHBondContact NE2-OG1 2.53Å; K563-T565 HydrophobicContact CD-CG2 4.32Å; K563-T565 HydrophobicContact CG-CG2 4.2Å; K563-T565 PolarHBondContact O-N 3.39Å
566	D	85.8	Confident	81.5	Confident	20 Å²	20	73.4 Å²	73.4	11%	0.107	37%	0.369	C	S	.	.	S	Bend	trans	-85.1	168.5	175.2	52.5	-5.2	0	0	0	112.7	Q536 A537 G538 Y571	Q536-D566 WeakPolarHBondContact CA-OD2 3.47Å; Q536-D566 HydrophobicContact CB-CB 4.2Å; Q536-D566 HydrophobicContact CG-CB 4.08Å; A537-D566 PolarHBondContact N-OD2 3.5Å; G538-D566 WeakPolarHBondContact CA-OD2 3.46Å; G538-D566 PolarHBondContact N-OD2 3.11Å; D566-Y571 WeakPolarHBondContact OD1-CE2 3.46Å; D566-Y571 PolarHBondContact OD1-OH 2.71Å; D566-Y571 PolarHBondContact OD2-OH 3.3Å
567	R	82.6	Confident	82.5	Confident	186 Å²	186	78.8 Å²	78.8	70%	0.702	40%	0.397	S	S	*	.			trans	-70.6	138.4	-177.3	-62.6	-176.1	174.4	-174.8	-0.7	110.6	D569 G570	R567-D569 WeakPolarHBondContact CB-OD1 3.33Å; R567-D569 PolarHBondContact O-N 2.97Å; R567-G570 PolarHBondContact O-N 3.29Å
568	K	80.7	Confident	83.5	Confident	134 Å²	134	76.8 Å²	76.8	58%	0.583	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.6	-178	-63.7	-175.3	-179.9	-177.6	0	113.5	L556 G570 Y571	L556-K568 HydrophobicContact CD2-CD 4.19Å; L556-K568 HydrophobicContact CD2-CG 4.1Å; K568-G570 PolarHBondContact O-N 2.73Å; K568-Y571 PolarHBondContact O-N 3.03Å
569	D	83.8	Confident	84.9	Confident	78 Å²	78	70 Å²	70	42%	0.417	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-67.9	-17.2	175.1	59.6	-7.9	0	0	0	113.1	R567 Y571 V572	R567-D569 WeakPolarHBondContact CB-OD1 3.33Å; R567-D569 PolarHBondContact O-N 2.97Å; D569-Y571 VanDerWaalsContact C-N 3.28Å; D569-Y571 PolarHBondContact O-N 2.83Å; D569-V572 WeakPolarHBondContact O-CG2 3.31Å
570	G	87.3	Confident	86.5	Confident	1 Å²	1	68 Å²	68	1%	0.01	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-73.5	-12.6	175.3	0	0	0	0	0	114.7	Y539 R567 K568 V572	Y539-G570 PolarHBondContact N-O 3.06Å; R567-G570 PolarHBondContact O-N 3.29Å; K568-G570 PolarHBondContact O-N 2.73Å; G570-V572 PolarHBondContact O-N 3.06Å
571	Y	92.1	Very high	87.9	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.016	36%	0.36	C	S	.	.			trans	-96	90.6	-178.9	-67.2	-90	0	0	0	110.7	F521 A537 F542 L552 L564 D566 K568 D569 V584	F521-Y571 HydrophobicContact CZ-CE1 4.49Å; A537-Y571 HydrophobicContact CB-CE1 4.35Å; F542-Y571 HydrophobicContact CD2-CD1 4.47Å; F542-Y571 AromaticContact CE2-CD1 3.59Å; F542-Y571 HydrophobicContact CE2-CD1 3.59Å; F542-Y571 HydrophobicContact CE2-CE1 4.16Å; F542-Y571 HydrophobicContact CE2-CG 4.42Å; F542-Y571 AromaticContact CZ-CD1 3.84Å; F542-Y571 HydrophobicContact CZ-CD1 3.84Å; F542-Y571 AromaticContact CZ-CE1 3.97Å; F542-Y571 HydrophobicContact CZ-CE1 3.97Å; L552-Y571 HydrophobicContact CD1-CD1 4.31Å; L552-Y571 HydrophobicContact CD1-CE1 4.18Å; L552-Y571 HydrophobicContact CD2-CD1 3.6Å; L552-Y571 HydrophobicContact CD2-CE1 4.29Å; L552-Y571 HydrophobicContact CD2-CG 3.94Å; L564-Y571 HydrophobicContact CD1-CE2 4.34Å; L564-Y571 WeakPolarHBondContact CD2-OH 3.43Å; D566-Y571 WeakPolarHBondContact OD1-CE2 3.46Å; D566-Y571 PolarHBondContact OD1-OH 2.71Å; D566-Y571 PolarHBondContact OD2-OH 3.3Å; K568-Y571 PolarHBondContact O-N 3.03Å; D569-Y571 VanDerWaalsContact C-N 3.28Å; D569-Y571 PolarHBondContact O-N 2.83Å; Y571-V584 WeakPolarHBondContact O-CG2 3.23Å; Y571-V584 PolarHBondContact O-N 3.45Å
572	V	93.6	Very high	88.8	Confident	49 Å²	49	65.8 Å²	65.8	30%	0.297	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-118	136.8	-176.8	-177.6	0	0	0	0	110	D569 G570 G581 E582 L583	D569-V572 WeakPolarHBondContact O-CG2 3.31Å; G570-V572 PolarHBondContact O-N 3.06Å; V572-G581 VanDerWaalsContact CG1-C 3.5Å; V572-E582 WeakPolarHBondContact CA-O 3.34Å; V572-L583 HydrophobicContact CG2-CD2 4.12Å
573	C	94.9	Very high	89.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.014	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.8	174.4	-66	0	0	0	0	110.5	C544 L579 Q580 G581 E582	C544-C573 HydrophobicContact CB-CB 3.85Å; C544-C573 WeakPolarHBondContact CB-SG 3.47Å; C544-C573 WeakPolarHBondContact SG-CA 3.33Å; C544-C573 WeakPolarHBondContact SG-CB 3.36Å; C544-C573 CovalentContact SG-SG 2.02Å; C544-C573 PolarHBondContact SG-SG 3.12Å; C573-L579 HydrophobicContact CB-CB 4.11Å; C573-L579 WeakPolarHBondContact CB-O 3.32Å; C573-Q580 WeakPolarHBondContact O-CA 3.3Å; C573-G581 PolarHBondContact O-N 3.45Å; C573-E582 PolarHBondContact N-O 3Å
574	D	95.3	Very high	89.4	Confident	43 Å²	43	61 Å²	61	23%	0.23	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-36	171.9	-175.4	83.9	0	0	0	111.5	K541 F542 Q580	K541-D574 HydrophobicContact CB-CB 4.37Å; K541-D574 HydrophobicContact CD-CB 4.02Å; K541-D574 WeakPolarHBondContact CD-OD1 3.37Å; K541-D574 IonicContact NZ-OD1 2.72Å; K541-D574 PolarHBondContact NZ-OD1 3.19Å; F542-D574 PolarHBondContact O-N 3.23Å; D574-Q580 WeakPolarHBondContact O-CG 3.4Å
575	S	91.6	Very high	89.3	Confident	45 Å²	45	62 Å²	62	32%	0.315	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.2	175.7	-73	0	0	0	0	109.8	F542 I543 C544	F542-S575 PolarHBondContact O-N 2.94Å; I543-S575 CarbonylContact C-O 3.57Å; I543-S575 WeakPolarHBondContact CA-O 3.18Å; C544-S575 PolarHBondContact N-O 3.33Å
576	P	91.7	Very high	89.4	Confident	43 Å²	43	65.6 Å²	65.6	28%	0.279	34%	0.34	S	S	.	.	S	Bend	cis	-74	164.6	-2.9	31.4	-37	0	0	0	113.7	H578 L579 Q580	P576-H578 WeakPolarHBondContact CG-CE1 3.17Å; P576-H578 PolarHBondContact O-N 3.14Å; P576-L579 HydrophobicContact CG-CD1 4.44Å; P576-L579 PolarHBondContact O-N 2.72Å; P576-Q580 PolarHBondContact O-N 3.32Å
577	L	88.9	Confident	89.4	Confident	152 Å²	152	64.7 Å²	64.7	80%	0.796	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-46.9	-34.5	-177.1	-87.1	153	0	0	0	115.1	L579 Q580	L577-L579 VanDerWaalsContact C-N 3.3Å; L577-L579 PolarHBondContact O-N 2.93Å; L577-Q580 PolarHBondContact O-N 3.29Å
578	H	87.4	Confident	89.4	Confident	125 Å²	125	66.8 Å²	66.8	58%	0.579	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-76.2	-14.3	-178.4	63.5	-90.4	0	0	0	114.3	P576	P576-H578 WeakPolarHBondContact CG-CE1 3.17Å; P576-H578 PolarHBondContact O-N 3.14Å
579	L	89.9	Confident	89.5	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.042	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-114	5	174.4	-65.9	172.5	0	0	0	111.7	C544 C573 P576 L577 G581 E582 A587 L589	C544-L579 HydrophobicContact CB-CD1 4.27Å; C573-L579 HydrophobicContact CB-CB 4.11Å; C573-L579 WeakPolarHBondContact CB-O 3.32Å; P576-L579 HydrophobicContact CG-CD1 4.44Å; P576-L579 PolarHBondContact O-N 2.72Å; L577-L579 VanDerWaalsContact C-N 3.3Å; L577-L579 PolarHBondContact O-N 2.93Å; L579-G581 PolarHBondContact O-N 3.03Å; L579-E582 VanDerWaalsContact CD2-OE2 3.24Å; L579-E582 WeakPolarHBondContact CD2-OE2 3.11Å; L579-E582 WeakPolarHBondContact O-CB 3.12Å; L579-E582 PolarHBondContact O-N 3.12Å; L579-A587 HydrophobicContact CD1-CB 4.46Å; L579-A587 HydrophobicContact CD2-CB 4.34Å; L579-L589 HydrophobicContact CD1-CD1 3.62Å; L579-L589 HydrophobicContact CD1-CD2 4.4Å; L579-L589 HydrophobicContact CD1-CG 3.88Å
580	Q	93.8	Very high	89.3	Confident	108 Å²	108	61.4 Å²	61.4	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	124.1	-174.8	-175.3	172.7	23.9	0	0	110.6	C573 D574 P576 L577 E582	C573-Q580 WeakPolarHBondContact O-CA 3.3Å; D574-Q580 WeakPolarHBondContact O-CG 3.4Å; P576-Q580 PolarHBondContact O-N 3.32Å; L577-Q580 PolarHBondContact O-N 3.29Å; Q580-E582 VanDerWaalsContact C-N 3.33Å
581	G	91.2	Very high	88.8	Confident	56 Å²	56	66.5 Å²	66.5	58%	0.577	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-6.5	-176.9	0	0	0	0	0	114.7	V572 C573 L579	V572-G581 VanDerWaalsContact CG1-C 3.5Å; C573-G581 PolarHBondContact O-N 3.45Å; L579-G581 PolarHBondContact O-N 3.03Å
582	E	91.7	Very high	87.7	Confident	89 Å²	89	72 Å²	72	42%	0.416	38%	0.382	S	S	.	.			trans	-79.7	147.2	174.6	-65.5	-159.6	160.6	0	0	112.3	V572 C573 L579 Q580	V572-E582 WeakPolarHBondContact CA-O 3.34Å; C573-E582 PolarHBondContact N-O 3Å; L579-E582 VanDerWaalsContact CD2-OE2 3.24Å; L579-E582 WeakPolarHBondContact CD2-OE2 3.11Å; L579-E582 WeakPolarHBondContact O-CB 3.12Å; L579-E582 PolarHBondContact O-N 3.12Å; Q580-E582 VanDerWaalsContact C-N 3.33Å
583	L	91.8	Very high	86.8	Confident	46 Å²	46	73.5 Å²	73.5	24%	0.241	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-69.5	134	173	-70.3	167.2	0	0	0	110.3	V572 S585 Q586 A587	V572-L583 HydrophobicContact CG2-CD2 4.12Å; L583-S585 PolarHBondContact O-N 3.01Å; L583-S585 VanDerWaalsContact O-N 3.11Å; L583-Q586 HydrophobicContact CB-CB 4.4Å; L583-Q586 HydrophobicContact CB-CG 4.33Å; L583-Q586 PolarHBondContact O-N 3.31Å; L583-A587 PolarHBondContact O-N 3.02Å
584	V	90.6	Very high	86.1	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.2	179.4	-176.7	0	0	0	0	111.8	F548 V549 L552 Q553 Y571 Q586	F548-V584 HydrophobicContact CE1-CG1 4.4Å; F548-V584 HydrophobicContact CE1-CG2 4.31Å; V549-V584 HydrophobicContact CB-CG1 4.48Å; V549-V584 HydrophobicContact CG1-CG1 4.41Å; V549-V584 HydrophobicContact CG2-CG1 4.23Å; L552-V584 HydrophobicContact CB-CG1 4.11Å; L552-V584 HydrophobicContact CD2-CB 3.78Å; L552-V584 HydrophobicContact CD2-CG1 3.5Å; L552-V584 VanDerWaalsContact CD2-CG1 3.5Å; L552-V584 HydrophobicContact CD2-CG2 4.2Å; L552-V584 HydrophobicContact CG-CG1 4.41Å; Q553-V584 PolarHBondContact NE2-O 3.29Å; Y571-V584 WeakPolarHBondContact O-CG2 3.23Å; Y571-V584 PolarHBondContact O-N 3.45Å; V584-Q586 PolarHBondContact O-N 2.84Å
585	S	85.3	Confident	85.6	Confident	58 Å²	58	78.6 Å²	78.6	41%	0.406	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.1	175.8	61.7	0	0	0	0	113.9	L583	L583-S585 PolarHBondContact O-N 3.01Å; L583-S585 VanDerWaalsContact O-N 3.11Å
586	Q	86.6	Confident	85	Confident	131 Å²	131	85.5 Å²	85.5	61%	0.612	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	-19.9	-178.6	-63.7	177.7	-5.2	0	0	112.6	L583 V584 R588	L583-Q586 HydrophobicContact CB-CB 4.4Å; L583-Q586 HydrophobicContact CB-CG 4.33Å; L583-Q586 PolarHBondContact O-N 3.31Å; V584-Q586 PolarHBondContact O-N 2.84Å; Q586-R588 PolarHBondContact O-N 3.41Å
587	A	86.7	Confident	84.5	Confident	1 Å²	1	89.4 Å²	89.4	1%	0.008	46%	0.459	C	S	.	.			trans	-56.9	127.5	179.5	0	0	0	0	0	112.1	V549 Q553 L579 L583	V549-A587 HydrophobicContact CG1-CB 4.25Å; Q553-A587 PolarHBondContact NE2-O 3.42Å; L579-A587 HydrophobicContact CD1-CB 4.46Å; L579-A587 HydrophobicContact CD2-CB 4.34Å; L583-A587 PolarHBondContact O-N 3.02Å
588	R	82.9	Confident	84.3	Confident	230 Å²	230	87.3 Å²	87.3	87%	0.868	45%	0.448	S	S	*	.			trans	-123.8	106.5	177.3	-66.7	-176.7	-175.7	-174.6	1.4	109.9	Q586	Q586-R588 PolarHBondContact O-N 3.41Å
589	L	82.9	Confident	84.1	Confident	38 Å²	38	86 Å²	86	20%	0.199	44%	0.441	C	S	.	.			trans	-87.1	137.7	171.7	-72.1	88.2	0	0	0	109.8	V549 L579 V593	V549-L589 HydrophobicContact CB-CD1 4.11Å; V549-L589 HydrophobicContact CG1-CD1 4.24Å; V549-L589 HydrophobicContact CG2-CD1 3.71Å; L579-L589 HydrophobicContact CD1-CD1 3.62Å; L579-L589 HydrophobicContact CD1-CD2 4.4Å; L579-L589 HydrophobicContact CD1-CG 3.88Å; L589-V593 HydrophobicContact CD2-CG1 4.35Å
590	S	79	Confident	84	Confident	60 Å²	60	89.1 Å²	89.1	42%	0.42	46%	0.46	S	S	.	.			trans	-73.6	151.2	178	65.1	0	0	0	0	111.5	E592 V593 C594	S590-E592 PolarHBondContact O-N 2.97Å; S590-V593 PolarHBondContact O-N 3.34Å; S590-V593 VanDerWaalsContact OG-CG2 3.3Å; S590-V593 WeakPolarHBondContact OG-CG2 3.49Å; S590-C594 PolarHBondContact O-N 3.15Å; S590-C594 VanDerWaalsContact O-N 3.1Å
591	V	76.8	Confident	83.6	Confident	109 Å²	109	87.1 Å²	87.1	66%	0.661	46%	0.458	S	S	*	.	H	α-helix	trans	-58.9	-34	178.6	-177.2	0	0	0	0	111.3	V593 C594 H595	V591-V593 VanDerWaalsContact C-N 3.32Å; V591-V593 PolarHBondContact O-N 2.89Å; V591-C594 PolarHBondContact O-N 3.03Å; V591-H595 PolarHBondContact O-N 3.43Å
592	E	68.6	Low	83.6	Confident	118 Å²	118	89 Å²	89	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-62.2	-36.9	175.9	-59.7	-178.9	177.2	0	0	112.8	S590 R596 F599	S590-E592 PolarHBondContact O-N 2.97Å; E592-R596 WeakPolarHBondContact O-CA 3.48Å; E592-R596 PolarHBondContact O-N 2.9Å; E592-F599 HydrophobicContact CG-CD2 4.09Å; E592-F599 HydrophobicContact CG-CE2 3.98Å; E592-F599 HydrophobicContact CG-CZ 4.45Å
593	V	76.1	Confident	83.4	Confident	81 Å²	81	87.3 Å²	87.3	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-74.4	-42.9	176.8	173.2	0	0	0	0	110.5	L589 S590 V591	L589-V593 HydrophobicContact CD2-CG1 4.35Å; S590-V593 PolarHBondContact O-N 3.34Å; S590-V593 VanDerWaalsContact OG-CG2 3.3Å; S590-V593 WeakPolarHBondContact OG-CG2 3.49Å; V591-V593 VanDerWaalsContact C-N 3.32Å; V591-V593 PolarHBondContact O-N 2.89Å
594	C	80.3	Confident	83.4	Confident	43 Å²	43	88.6 Å²	88.6	29%	0.291	47%	0.468	S	S	.	.	H	α-helix	trans	-70.1	-35.6	-179.1	-62	0	0	0	0	113.8	C546 S590 V591	C546-C594 HydrophobicContact CB-CB 3.7Å; C546-C594 WeakPolarHBondContact CB-SG 3.45Å; C546-C594 WeakPolarHBondContact SG-CA 3.38Å; C546-C594 WeakPolarHBondContact SG-CB 3.05Å; C546-C594 CovalentContact SG-SG 2.01Å; C546-C594 PolarHBondContact SG-SG 2.94Å; S590-C594 PolarHBondContact O-N 3.15Å; S590-C594 VanDerWaalsContact O-N 3.1Å; V591-C594 PolarHBondContact O-N 3.03Å
595	H	83.9	Confident	83.5	Confident	109 Å²	109	90.4 Å²	90.4	51%	0.505	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	43.7	-176	-66.2	-57	0	0	0	112.2	V591 V597 L598 F599	V591-H595 PolarHBondContact O-N 3.43Å; H595-V597 VanDerWaalsContact C-N 3.29Å; H595-V597 PolarHBondContact O-N 3.16Å; H595-L598 HydrophobicContact CB-CB 4.11Å; H595-L598 WeakPolarHBondContact O-CB 3.37Å; H595-L598 PolarHBondContact O-N 3.09Å; H595-L598 VanDerWaalsContact O-N 3.09Å; H595-F599 PolarHBondContact O-N 3.24Å
596	R	79.1	Confident	83.8	Confident	190 Å²	190	90.1 Å²	90.1	72%	0.717	49%	0.488	S	S	*	.	H	α-helix	trans	-52.6	-42.5	-176.6	-167	179.9	-175.8	-170.5	2	113.7	E592 F599 V600	E592-R596 WeakPolarHBondContact O-CA 3.48Å; E592-R596 PolarHBondContact O-N 2.9Å; R596-F599 PolarHBondContact O-N 3.43Å; R596-V600 WeakPolarHBondContact O-CB 3.03Å; R596-V600 VanDerWaalsContact O-CG2 3.27Å; R596-V600 WeakPolarHBondContact O-CG2 3.49Å; R596-V600 PolarHBondContact O-N 3.2Å
597	V	81.4	Confident	84.1	Confident	126 Å²	126	86.9 Å²	86.9	76%	0.764	48%	0.484	S	S	*	.	H	α-helix	trans	-64.5	-44.6	179.7	178.2	0	0	0	0	111.4	H595 S601	H595-V597 VanDerWaalsContact C-N 3.29Å; H595-V597 PolarHBondContact O-N 3.16Å; V597-S601 WeakPolarHBondContact O-CB 3.39Å; V597-S601 PolarHBondContact O-N 2.92Å; V597-S601 PolarHBondContact O-OG 3.3Å
598	L	83.8	Confident	84.4	Confident	107 Å²	107	92.8 Å²	92.8	56%	0.56	52%	0.515	S	S	*	.	H	α-helix	trans	-65.4	-42.6	177.6	-106.3	155.8	0	0	0	111.5	H595 S601 V602	H595-L598 HydrophobicContact CB-CB 4.11Å; H595-L598 WeakPolarHBondContact O-CB 3.37Å; H595-L598 PolarHBondContact O-N 3.09Å; H595-L598 VanDerWaalsContact O-N 3.09Å; L598-S601 WeakPolarHBondContact CA-OG 3.37Å; L598-S601 PolarHBondContact O-N 3.19Å; L598-S601 PolarHBondContact O-OG 3.27Å; L598-V602 WeakPolarHBondContact O-CB 3.42Å; L598-V602 VanDerWaalsContact O-CG2 3.23Å; L598-V602 WeakPolarHBondContact O-CG2 3.38Å; L598-V602 PolarHBondContact O-N 2.68Å
599	F	84.1	Confident	84.9	Confident	97 Å²	97	87 Å²	87	43%	0.425	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-45.8	177.8	-176	-94.2	0	0	0	111.9	E592 H595 R596 S603	E592-F599 HydrophobicContact CG-CD2 4.09Å; E592-F599 HydrophobicContact CG-CE2 3.98Å; E592-F599 HydrophobicContact CG-CZ 4.45Å; H595-F599 PolarHBondContact O-N 3.24Å; R596-F599 PolarHBondContact O-N 3.43Å; F599-S603 VanDerWaalsContact O-CB 3.3Å; F599-S603 WeakPolarHBondContact O-CB 3.21Å; F599-S603 PolarHBondContact O-N 2.86Å; F599-S603 PolarHBondContact O-OG 2.96Å
600	V	87.1	Confident	85.4	Confident	75 Å²	75	89.1 Å²	89.1	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-67	-41.3	177.9	173.3	0	0	0	0	111.2	R596 S603 C604	R596-V600 WeakPolarHBondContact O-CB 3.03Å; R596-V600 VanDerWaalsContact O-CG2 3.27Å; R596-V600 WeakPolarHBondContact O-CG2 3.49Å; R596-V600 PolarHBondContact O-N 3.2Å; V600-S603 PolarHBondContact O-N 3.45Å; V600-C604 WeakPolarHBondContact O-CB 3.4Å; V600-C604 PolarHBondContact O-N 2.8Å; V600-C604 PolarHBondContact O-SG 2.79Å
601	S	86.5	Confident	86	Confident	66 Å²	66	87.7 Å²	87.7	46%	0.462	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-42.8	179.5	67.4	0	0	0	0	112.2	V597 L598 G605	V597-S601 WeakPolarHBondContact O-CB 3.39Å; V597-S601 PolarHBondContact O-N 2.92Å; V597-S601 PolarHBondContact O-OG 3.3Å; L598-S601 WeakPolarHBondContact CA-OG 3.37Å; L598-S601 PolarHBondContact O-N 3.19Å; L598-S601 PolarHBondContact O-OG 3.27Å; S601-G605 PolarHBondContact O-N 2.83Å
602	V	90.2	Very high	86.7	Confident	95 Å²	95	88.1 Å²	88.1	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-63.3	-43	174.5	172.3	0	0	0	0	110.9	L598 G605 A606	L598-V602 WeakPolarHBondContact O-CB 3.42Å; L598-V602 VanDerWaalsContact O-CG2 3.23Å; L598-V602 WeakPolarHBondContact O-CG2 3.38Å; L598-V602 PolarHBondContact O-N 2.68Å; V602-G605 PolarHBondContact O-N 3.3Å; V602-A606 WeakPolarHBondContact O-CB 3.46Å; V602-A606 PolarHBondContact O-N 2.87Å
603	S	87.9	Confident	87.8	Confident	54 Å²	54	87.5 Å²	87.5	38%	0.378	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-44.9	178.8	-60.5	0	0	0	0	112.4	F599 V600 A606 A607	F599-S603 VanDerWaalsContact O-CB 3.3Å; F599-S603 WeakPolarHBondContact O-CB 3.21Å; F599-S603 PolarHBondContact O-N 2.86Å; F599-S603 PolarHBondContact O-OG 2.96Å; V600-S603 PolarHBondContact O-N 3.45Å; S603-A606 PolarHBondContact O-N 2.8Å; S603-A607 WeakPolarHBondContact O-CB 3.28Å; S603-A607 PolarHBondContact O-N 2.59Å
604	C	91.8	Very high	88.3	Confident	72 Å²	72	88 Å²	88	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-63.9	-42.2	174.8	-77.4	0	0	0	0	111.8	V600 A606 A607 L608	V600-C604 WeakPolarHBondContact O-CB 3.4Å; V600-C604 PolarHBondContact O-N 2.8Å; V600-C604 PolarHBondContact O-SG 2.79Å; C604-A606 PolarHBondContact O-N 2.74Å; C604-A607 PolarHBondContact O-N 2.84Å; C604-L608 WeakPolarHBondContact O-CG 3.47Å; C604-L608 PolarHBondContact O-N 2.82Å
605	G	92.6	Very high	88.5	Confident	38 Å²	38	90 Å²	90	39%	0.392	52%	0.52	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.2	0	0	0	0	0	112.2	S601 V602 L608 L609	S601-G605 PolarHBondContact O-N 2.83Å; V602-G605 PolarHBondContact O-N 3.3Å; G605-L608 PolarHBondContact O-N 2.92Å; G605-L609 WeakPolarHBondContact O-CB 3.39Å; G605-L609 PolarHBondContact O-N 2.92Å
606	A	92.4	Very high	88.6	Confident	53 Å²	53	88.5 Å²	88.5	44%	0.438	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-43	175.5	0	0	0	0	0	112.1	V602 S603 C604 L608 L609 V610	V602-A606 WeakPolarHBondContact O-CB 3.46Å; V602-A606 PolarHBondContact O-N 2.87Å; S603-A606 PolarHBondContact O-N 2.8Å; C604-A606 PolarHBondContact O-N 2.74Å; A606-L608 PolarHBondContact O-N 2.8Å; A606-L609 WeakPolarHBondContact O-CB 3.42Å; A606-L609 PolarHBondContact O-N 2.9Å; A606-V610 WeakPolarHBondContact O-CB 3.4Å; A606-V610 VanDerWaalsContact O-CG2 3.28Å; A606-V610 WeakPolarHBondContact O-CG2 3.46Å; A606-V610 PolarHBondContact O-N 3.38Å
607	A	92	Very high	88.8	Confident	63 Å²	63	84.3 Å²	84.3	52%	0.521	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-41.2	177.4	0	0	0	0	0	112.4	S603 C604 V610 G611	S603-A607 WeakPolarHBondContact O-CB 3.28Å; S603-A607 PolarHBondContact O-N 2.59Å; C604-A607 PolarHBondContact O-N 2.84Å; A607-V610 PolarHBondContact O-N 3.17Å; A607-G611 PolarHBondContact O-N 3.06Å
608	L	93.7	Very high	88.6	Confident	124 Å²	124	82.3 Å²	82.3	65%	0.649	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-42.3	174.3	-75.4	171.2	0	0	0	111.7	C604 G605 A606 G611 L612	C604-L608 WeakPolarHBondContact O-CG 3.47Å; C604-L608 PolarHBondContact O-N 2.82Å; G605-L608 PolarHBondContact O-N 2.92Å; A606-L608 PolarHBondContact O-N 2.8Å; L608-G611 PolarHBondContact O-N 3.07Å; L608-L612 WeakPolarHBondContact O-CB 3.41Å; L608-L612 PolarHBondContact O-N 3.13Å
609	L	93.2	Very high	88.2	Confident	110 Å²	110	87.3 Å²	87.3	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-62.4	-44.8	176.1	-164.4	101	0	0	0	111.4	G605 A606 L612 L613	G605-L609 WeakPolarHBondContact O-CB 3.39Å; G605-L609 PolarHBondContact O-N 2.92Å; A606-L609 WeakPolarHBondContact O-CB 3.42Å; A606-L609 PolarHBondContact O-N 2.9Å; L609-L612 PolarHBondContact O-N 3.25Å; L609-L613 HydrophobicContact CD2-CD1 4.05Å; L609-L613 HydrophobicContact CG-CD1 4.31Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.16Å; L609-L613 PolarHBondContact O-N 2.9Å
610	V	93.6	Very high	88	Confident	81 Å²	81	93 Å²	93	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-63.6	-42.1	176.3	170	0	0	0	0	111	A606 A607 L613 L614	A606-V610 WeakPolarHBondContact O-CB 3.4Å; A606-V610 VanDerWaalsContact O-CG2 3.28Å; A606-V610 WeakPolarHBondContact O-CG2 3.46Å; A606-V610 PolarHBondContact O-N 3.38Å; A607-V610 PolarHBondContact O-N 3.17Å; V610-L613 PolarHBondContact O-N 3Å; V610-L614 HydrophobicContact CG1-CD1 3.94Å; V610-L614 WeakPolarHBondContact O-CB 3.35Å; V610-L614 PolarHBondContact O-N 2.85Å
611	G	91.8	Very high	87.2	Confident	31 Å²	31	94.3 Å²	94.3	32%	0.32	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-44.9	174.9	0	0	0	0	0	112.5	A607 L608 L614 C615	A607-G611 PolarHBondContact O-N 3.06Å; L608-G611 PolarHBondContact O-N 3.07Å; G611-L614 PolarHBondContact O-N 2.88Å; G611-C615 PolarHBondContact O-N 2.91Å; G611-C615 PolarHBondContact O-SG 3.02Å
612	L	91.4	Very high	86.3	Confident	118 Å²	118	96.7 Å²	96.7	62%	0.618	53%	0.533	S	S	*	.	H	α-helix	trans	-60.8	-46.4	173.9	-88.1	158.5	0	0	0	111.7	L608 L609 L614 C615 V616	L608-L612 WeakPolarHBondContact O-CB 3.41Å; L608-L612 PolarHBondContact O-N 3.13Å; L609-L612 PolarHBondContact O-N 3.25Å; L612-L614 PolarHBondContact O-N 2.99Å; L612-C615 PolarHBondContact O-N 2.82Å; L612-V616 VanDerWaalsContact O-CG2 3.32Å; L612-V616 WeakPolarHBondContact O-CG2 3.35Å; L612-V616 PolarHBondContact O-N 2.85Å
613	L	90.6	Very high	85.1	Confident	105 Å²	105	94.3 Å²	94.3	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-61.4	-43	176.8	-75.1	167.6	0	0	0	111.5	L609 V610 V616 L617	L609-L613 HydrophobicContact CD2-CD1 4.05Å; L609-L613 HydrophobicContact CG-CD1 4.31Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 VanDerWaalsContact O-CG 3.28Å; L609-L613 WeakPolarHBondContact O-CG 3.16Å; L609-L613 PolarHBondContact O-N 2.9Å; V610-L613 PolarHBondContact O-N 3Å; L613-V616 PolarHBondContact O-N 3.37Å; L613-L617 VanDerWaalsContact O-CB 3.29Å; L613-L617 WeakPolarHBondContact O-CB 3.46Å; L613-L617 PolarHBondContact O-N 3Å
614	L	86.8	Confident	84	Confident	92 Å²	92	100.3 Å²	100.3	48%	0.482	54%	0.538	S	S	.	.	H	α-helix	trans	-60.3	-46.2	174.1	-93.2	155.7	0	0	0	111.8	V610 G611 L612 V616 L617 L618	V610-L614 HydrophobicContact CG1-CD1 3.94Å; V610-L614 WeakPolarHBondContact O-CB 3.35Å; V610-L614 PolarHBondContact O-N 2.85Å; G611-L614 PolarHBondContact O-N 2.88Å; L612-L614 PolarHBondContact O-N 2.99Å; L614-V616 PolarHBondContact O-N 3.48Å; L614-L617 PolarHBondContact O-N 3.49Å; L614-L618 WeakPolarHBondContact O-CB 3.37Å; L614-L618 WeakPolarHBondContact O-CG 3.48Å; L614-L618 PolarHBondContact O-N 3.03Å
615	C	83.9	Confident	82.6	Confident	83 Å²	83	103.3 Å²	103.3	56%	0.561	54%	0.539	S	S	*	.	H	α-helix	trans	-60.6	-44.4	176.3	-73.1	0	0	0	0	111.9	G611 L612 L617 L618 W619	G611-C615 PolarHBondContact O-N 2.91Å; G611-C615 PolarHBondContact O-SG 3.02Å; L612-C615 PolarHBondContact O-N 2.82Å; C615-L617 VanDerWaalsContact C-N 3.35Å; C615-L618 PolarHBondContact O-N 3.13Å; C615-W619 WeakPolarHBondContact O-CB 3.48Å; C615-W619 PolarHBondContact O-N 2.84Å
616	V	86.9	Confident	81.2	Confident	79 Å²	79	108.3 Å²	108.3	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-40.5	175.8	171.8	0	0	0	0	111.1	L612 L613 L614 W619 R620	L612-V616 VanDerWaalsContact O-CG2 3.32Å; L612-V616 WeakPolarHBondContact O-CG2 3.35Å; L612-V616 PolarHBondContact O-N 2.85Å; L613-V616 PolarHBondContact O-N 3.37Å; L614-V616 PolarHBondContact O-N 3.48Å; V616-W619 PolarHBondContact O-N 2.98Å; V616-R620 VanDerWaalsContact O-CB 3.26Å; V616-R620 WeakPolarHBondContact O-CB 3.49Å; V616-R620 PolarHBondContact O-N 3.22Å
617	L	82.2	Confident	79.8	Confident	102 Å²	102	110.7 Å²	110.7	53%	0.534	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-44.3	177.9	-150.5	103.7	0	0	0	111.2	L613 L614 C615 W619 R620 L621	L613-L617 VanDerWaalsContact O-CB 3.29Å; L613-L617 WeakPolarHBondContact O-CB 3.46Å; L613-L617 PolarHBondContact O-N 3Å; L614-L617 PolarHBondContact O-N 3.49Å; C615-L617 VanDerWaalsContact C-N 3.35Å; L617-W619 VanDerWaalsContact C-N 3.3Å; L617-W619 PolarHBondContact O-N 3.46Å; L617-R620 PolarHBondContact O-N 3.11Å; L617-L621 HydrophobicContact CD2-CD1 3.56Å; L617-L621 HydrophobicContact CG-CD1 3.84Å; L617-L621 HydrophobicContact CG-CG 4.48Å; L617-L621 WeakPolarHBondContact O-CB 3.37Å; L617-L621 WeakPolarHBondContact O-CG 3.33Å; L617-L621 PolarHBondContact O-N 2.91Å
618	L	79	Confident	78.5	Confident	84 Å²	84	115.4 Å²	115.4	44%	0.44	56%	0.561	S	S	.	*	H	α-helix	trans	-63.3	-36.4	176.4	-72	170.8	0	0	0	111.7	L614 C615 V623	L614-L618 WeakPolarHBondContact O-CB 3.37Å; L614-L618 WeakPolarHBondContact O-CG 3.48Å; L614-L618 PolarHBondContact O-N 3.03Å; C615-L618 PolarHBondContact O-N 3.13Å; L618-V623 HydrophobicContact CD2-CB 3.87Å; L618-V623 HydrophobicContact CD2-CG1 3.85Å; L618-V623 HydrophobicContact CD2-CG2 3.92Å; L618-V623 PolarHBondContact O-N 2.96Å
619	W	75.4	Confident	77	Confident	212 Å²	212	114.1 Å²	114.1	80%	0.803	55%	0.552	S	S	*	*	H	α-helix	trans	-69.4	-48.7	173.8	-172.3	56.5	0	0	0	111.6	C615 V616 L617 H622	C615-W619 WeakPolarHBondContact O-CB 3.48Å; C615-W619 PolarHBondContact O-N 2.84Å; V616-W619 PolarHBondContact O-N 2.98Å; L617-W619 VanDerWaalsContact C-N 3.3Å; L617-W619 PolarHBondContact O-N 3.46Å; W619-H622 PolarHBondContact O-N 3.15Å; W619-H622 VanDerWaalsContact O-N 3.16Å
620	R	78.1	Confident	75.5	Confident	215 Å²	215	112.1 Å²	112.1	81%	0.811	55%	0.545	S	S	*	.	H	α-helix	trans	-67.3	-36.5	-178.9	-168.9	-179.2	-177.9	-179.5	1.6	113.3	V616 L617 H622	V616-R620 VanDerWaalsContact O-CB 3.26Å; V616-R620 WeakPolarHBondContact O-CB 3.49Å; V616-R620 PolarHBondContact O-N 3.22Å; L617-R620 PolarHBondContact O-N 3.11Å; R620-H622 PolarHBondContact O-N 3.02Å
621	L	71.8	Confident	73.9	Confident	103 Å²	103	116.8 Å²	116.8	54%	0.539	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.6	6.3	176.2	-69.9	170.8	0	0	0	112.7	L617 V623	L617-L621 HydrophobicContact CD2-CD1 3.56Å; L617-L621 HydrophobicContact CG-CD1 3.84Å; L617-L621 HydrophobicContact CG-CG 4.48Å; L617-L621 WeakPolarHBondContact O-CB 3.37Å; L617-L621 WeakPolarHBondContact O-CG 3.33Å; L617-L621 PolarHBondContact O-N 2.91Å; L621-V623 HydrophobicContact CB-CG2 3.73Å; L621-V623 PolarHBondContact O-N 2.72Å
622	H	67.9	Low	72.6	Confident	117 Å²	117	117.4 Å²	117.4	54%	0.542	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	51	32.6	-179.7	-91.3	-81.5	0	0	0	112.2	W619 R620 F624 W625 Y626	W619-H622 PolarHBondContact O-N 3.15Å; W619-H622 VanDerWaalsContact O-N 3.16Å; R620-H622 PolarHBondContact O-N 3.02Å; H622-F624 PolarHBondContact O-N 2.85Å; H622-W625 HydrophobicContact CB-CB 4.02Å; H622-W625 CarbonylContact O-C 3.39Å; H622-W625 WeakPolarHBondContact O-CA 3.25Å; H622-W625 VanDerWaalsContact O-CB 3.27Å; H622-W625 WeakPolarHBondContact O-CB 3.18Å; H622-W625 PolarHBondContact O-N 2.96Å; H622-Y626 HydrophobicContact CB-CD2 4.42Å; H622-Y626 WeakPolarHBondContact O-CD2 3.39Å; H622-Y626 PolarHBondContact O-N 3.37Å
623	V	64.1	Low	71	Confident	45 Å²	45	119.1 Å²	119.1	27%	0.273	55%	0.554	S	S	.	*	H	α-helix	trans	-62.9	-31.6	-174.1	175.9	0	0	0	0	110.7	L618 L621 W625 Y626 L627	L618-V623 HydrophobicContact CD2-CB 3.87Å; L618-V623 HydrophobicContact CD2-CG1 3.85Å; L618-V623 HydrophobicContact CD2-CG2 3.92Å; L618-V623 PolarHBondContact O-N 2.96Å; L621-V623 HydrophobicContact CB-CG2 3.73Å; L621-V623 PolarHBondContact O-N 2.72Å; V623-W625 VanDerWaalsContact C-N 3.32Å; V623-W625 PolarHBondContact O-N 3.4Å; V623-Y626 CarbonylContact O-C 3.28Å; V623-Y626 PolarHBondContact O-N 3.39Å; V623-L627 HydrophobicContact CG1-CD1 3.94Å; V623-L627 HydrophobicContact CG1-CG 4.46Å; V623-L627 VanDerWaalsContact O-CB 3.3Å; V623-L627 WeakPolarHBondContact O-CB 3.38Å; V623-L627 PolarHBondContact O-N 3.02Å
624	F	64.3	Low	69.5	Low	180 Å²	180	117.8 Å²	117.8	79%	0.789	55%	0.547	S	S	*	.	H	α-helix	trans	-63.8	-35.4	171.3	-127.8	-86.5	0	0	0	112.8	H622 K628	H622-F624 PolarHBondContact O-N 2.85Å; F624-K628 VanDerWaalsContact O-CB 3.31Å; F624-K628 WeakPolarHBondContact O-CB 3.34Å; F624-K628 PolarHBondContact O-N 2.63Å
625	W	62.6	Low	68.1	Low	134 Å²	134	120.1 Å²	120.1	51%	0.508	55%	0.553	S	S	.	*	H	α-helix	trans	-73.4	-39.8	174.3	-171.1	88.6	0	0	0	111.2	H622 V623 K628 M629	H622-W625 HydrophobicContact CB-CB 4.02Å; H622-W625 CarbonylContact O-C 3.39Å; H622-W625 WeakPolarHBondContact O-CA 3.25Å; H622-W625 VanDerWaalsContact O-CB 3.27Å; H622-W625 WeakPolarHBondContact O-CB 3.18Å; H622-W625 PolarHBondContact O-N 2.96Å; V623-W625 VanDerWaalsContact C-N 3.32Å; V623-W625 PolarHBondContact O-N 3.4Å; W625-K628 PolarHBondContact O-N 2.99Å; W625-M629 HydrophobicContact CD2-CG 4.32Å; W625-M629 HydrophobicContact CE3-CG 4.31Å; W625-M629 HydrophobicContact CH2-CG 4.23Å; W625-M629 HydrophobicContact CZ2-CE 4.14Å; W625-M629 HydrophobicContact CZ2-CG 4.24Å; W625-M629 HydrophobicContact CZ3-CG 4.26Å; W625-M629 WeakPolarHBondContact O-CB 3.36Å; W625-M629 PolarHBondContact O-N 3.38Å
626	Y	62.9	Low	66.6	Low	143 Å²	143	118.7 Å²	118.7	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-69	-34.2	173.3	-82.2	-78.3	0	0	0	113.4	H622 V623 M629 T630	H622-Y626 HydrophobicContact CB-CD2 4.42Å; H622-Y626 WeakPolarHBondContact O-CD2 3.39Å; H622-Y626 PolarHBondContact O-N 3.37Å; V623-Y626 CarbonylContact O-C 3.28Å; V623-Y626 PolarHBondContact O-N 3.39Å; Y626-M629 PolarHBondContact O-N 2.77Å; Y626-T630 VanDerWaalsContact O-CB 3.31Å; Y626-T630 WeakPolarHBondContact O-CB 3.38Å; Y626-T630 WeakPolarHBondContact O-CG2 3.19Å; Y626-T630 PolarHBondContact O-N 2.8Å; Y626-T630 PolarHBondContact O-OG1 3.14Å
627	L	63.4	Low	64.8	Low	104 Å²	104	119.9 Å²	119.9	55%	0.545	55%	0.546	S	S	.	.	H	α-helix	trans	-65.7	-42	170.6	-89.6	157.9	0	0	0	110.2	V623 T630 W631	V623-L627 HydrophobicContact CG1-CD1 3.94Å; V623-L627 HydrophobicContact CG1-CG 4.46Å; V623-L627 VanDerWaalsContact O-CB 3.3Å; V623-L627 WeakPolarHBondContact O-CB 3.38Å; V623-L627 PolarHBondContact O-N 3.02Å; L627-T630 VanDerWaalsContact CA-OG1 3.27Å; L627-T630 WeakPolarHBondContact CA-OG1 3.39Å; L627-T630 PolarHBondContact O-N 3.35Å; L627-T630 PolarHBondContact O-OG1 3.13Å; L627-W631 WeakPolarHBondContact O-CB 3.3Å; L627-W631 PolarHBondContact O-N 2.63Å
628	K	65	Low	63.2	Low	162 Å²	162	123.1 Å²	123.1	70%	0.704	55%	0.552	S	S	*	*	H	α-helix	trans	-65.7	-38.6	175.3	-154.3	176.7	-173.3	-179.4	0	111.7	F624 W625 A632	F624-K628 VanDerWaalsContact O-CB 3.31Å; F624-K628 WeakPolarHBondContact O-CB 3.34Å; F624-K628 PolarHBondContact O-N 2.63Å; W625-K628 PolarHBondContact O-N 2.99Å; K628-A632 VanDerWaalsContact O-CB 3.23Å; K628-A632 WeakPolarHBondContact O-CB 3.41Å; K628-A632 PolarHBondContact O-N 2.77Å
629	M	62.1	Low	61.6	Low	97 Å²	97	122.4 Å²	122.4	48%	0.478	55%	0.554	S	S	.	*	H	α-helix	trans	-76.2	-34.1	175.6	-83.7	-60.9	173.9	0	0	113.6	W625 Y626 A632 W633	W625-M629 HydrophobicContact CD2-CG 4.32Å; W625-M629 HydrophobicContact CE3-CG 4.31Å; W625-M629 HydrophobicContact CH2-CG 4.23Å; W625-M629 HydrophobicContact CZ2-CE 4.14Å; W625-M629 HydrophobicContact CZ2-CG 4.24Å; W625-M629 HydrophobicContact CZ3-CG 4.26Å; W625-M629 WeakPolarHBondContact O-CB 3.36Å; W625-M629 PolarHBondContact O-N 3.38Å; Y626-M629 PolarHBondContact O-N 2.77Å; M629-A632 PolarHBondContact O-N 3.01Å; M629-A632 HydrophobicContact SD-CB 4.47Å; M629-W633 WeakPolarHBondContact O-CA 3.38Å; M629-W633 WeakPolarHBondContact O-CB 3.32Å; M629-W633 PolarHBondContact O-N 2.82Å
630	T	62.1	Low	60	Low	67 Å²	67	116.7 Å²	116.7	41%	0.411	55%	0.546	S	S	.	.	H	α-helix	trans	-72.7	-32.6	172.2	44	0	0	0	0	111	Y626 L627 L634	Y626-T630 VanDerWaalsContact O-CB 3.31Å; Y626-T630 WeakPolarHBondContact O-CB 3.38Å; Y626-T630 WeakPolarHBondContact O-CG2 3.19Å; Y626-T630 PolarHBondContact O-N 2.8Å; Y626-T630 PolarHBondContact O-OG1 3.14Å; L627-T630 VanDerWaalsContact CA-OG1 3.27Å; L627-T630 WeakPolarHBondContact CA-OG1 3.39Å; L627-T630 PolarHBondContact O-N 3.35Å; L627-T630 PolarHBondContact O-OG1 3.13Å; T630-L634 WeakPolarHBondContact O-CB 3.33Å; T630-L634 WeakPolarHBondContact O-CD1 3.39Å; T630-L634 VanDerWaalsContact O-CG 3.24Å; T630-L634 WeakPolarHBondContact O-CG 3.48Å; T630-L634 PolarHBondContact O-N 3.07Å
631	W	60.4	Low	58.3	Low	179 Å²	179	112.1 Å²	112.1	68%	0.678	53%	0.534	S	S	*	.	H	α-helix	trans	-70.2	-39.5	169.8	-148.2	87	0	0	0	111.7	L627 L634 K635	L627-W631 WeakPolarHBondContact O-CB 3.3Å; L627-W631 PolarHBondContact O-N 2.63Å; W631-L634 PolarHBondContact O-N 3.49Å; W631-K635 HydrophobicContact CE3-CD 4.38Å; W631-K635 HydrophobicContact CZ3-CD 4.01Å; W631-K635 WeakPolarHBondContact O-CB 3.3Å; W631-K635 PolarHBondContact O-N 2.75Å
632	A	63.2	Low	56.9	Low	45 Å²	45	114 Å²	114	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-68	-37.4	172.7	0	0	0	0	0	112.5	K628 M629 K635 A636	K628-A632 VanDerWaalsContact O-CB 3.23Å; K628-A632 WeakPolarHBondContact O-CB 3.41Å; K628-A632 PolarHBondContact O-N 2.77Å; M629-A632 PolarHBondContact O-N 3.01Å; M629-A632 HydrophobicContact SD-CB 4.47Å; A632-K635 CarbonylContact O-C 3.41Å; A632-K635 PolarHBondContact O-N 2.85Å; A632-A636 VanDerWaalsContact O-CB 3.23Å; A632-A636 WeakPolarHBondContact O-CB 3.34Å; A632-A636 PolarHBondContact O-N 3.07Å
633	W	58.9	Low	55.6	Low	154 Å²	154	116 Å²	116	58%	0.583	55%	0.547	S	S	*	.	H	α-helix	trans	-72.7	-35.9	174.3	-174.7	86.2	0	0	0	111.6	M629 K635 A636 K637	M629-W633 WeakPolarHBondContact O-CA 3.38Å; M629-W633 WeakPolarHBondContact O-CB 3.32Å; M629-W633 PolarHBondContact O-N 2.82Å; W633-K635 VanDerWaalsContact C-N 3.34Å; W633-A636 PolarHBondContact O-N 3Å; W633-K637 HydrophobicContact CE3-CD 4.41Å; W633-K637 HydrophobicContact CH2-CD 3.64Å; W633-K637 HydrophobicContact CZ2-CD 3.81Å; W633-K637 HydrophobicContact CZ3-CD 3.94Å; W633-K637 WeakPolarHBondContact O-CA 3.47Å; W633-K637 WeakPolarHBondContact O-CB 3.17Å; W633-K637 PolarHBondContact O-N 3.21Å
634	L	59.3	Low	54.3	Low	77 Å²	77	124.8 Å²	124.8	40%	0.403	58%	0.576	S	S	.	*	H	α-helix	trans	-65.5	-37.3	167.8	-83.6	158.9	0	0	0	111.1	T630 W631 R638	T630-L634 WeakPolarHBondContact O-CB 3.33Å; T630-L634 WeakPolarHBondContact O-CD1 3.39Å; T630-L634 VanDerWaalsContact O-CG 3.24Å; T630-L634 WeakPolarHBondContact O-CG 3.48Å; T630-L634 PolarHBondContact O-N 3.07Å; W631-L634 PolarHBondContact O-N 3.49Å; L634-R638 WeakPolarHBondContact O-CA 3.43Å; L634-R638 WeakPolarHBondContact O-CB 3.33Å; L634-R638 WeakPolarHBondContact O-CG 3.44Å; L634-R638 PolarHBondContact O-N 3.38Å
635	K	57.3	Low	53.1	Low	140 Å²	140	126 Å²	126	61%	0.609	58%	0.575	S	S	*	*	H	α-helix	trans	-71	-35.9	175.7	-159.9	174.9	-173.7	-177.6	0	111.9	W631 A632 W633 S639	W631-K635 HydrophobicContact CE3-CD 4.38Å; W631-K635 HydrophobicContact CZ3-CD 4.01Å; W631-K635 WeakPolarHBondContact O-CB 3.3Å; W631-K635 PolarHBondContact O-N 2.75Å; A632-K635 CarbonylContact O-C 3.41Å; A632-K635 PolarHBondContact O-N 2.85Å; W633-K635 VanDerWaalsContact C-N 3.34Å; K635-S639 WeakPolarHBondContact O-CB 3.42Å; K635-S639 PolarHBondContact O-N 3.14Å
636	A	51.3	Low	52	Low	53 Å²	53	122.5 Å²	122.5	44%	0.438	57%	0.574	S	S	.	*	H	α-helix	trans	-78	-38.6	176.1	0	0	0	0	0	113	A632 W633 S639 S640	A632-A636 VanDerWaalsContact O-CB 3.23Å; A632-A636 WeakPolarHBondContact O-CB 3.34Å; A632-A636 PolarHBondContact O-N 3.07Å; W633-A636 PolarHBondContact O-N 3Å; A636-S639 PolarHBondContact O-N 3.32Å; A636-S639 PolarHBondContact O-OG 2.96Å; A636-S640 PolarHBondContact O-N 3.01Å
637	K	49.5	Very low	51	Low	104 Å²	104	121.4 Å²	121.4	45%	0.452	58%	0.583	S	S	.	*	H	α-helix	trans	-72.3	-34.9	173	-165.5	170.1	-175.9	177.1	0	111	W633 Q641	W633-K637 HydrophobicContact CE3-CD 4.41Å; W633-K637 HydrophobicContact CH2-CD 3.64Å; W633-K637 HydrophobicContact CZ2-CD 3.81Å; W633-K637 HydrophobicContact CZ3-CD 3.94Å; W633-K637 WeakPolarHBondContact O-CA 3.47Å; W633-K637 WeakPolarHBondContact O-CB 3.17Å; W633-K637 PolarHBondContact O-N 3.21Å; K637-Q641 WeakPolarHBondContact O-CB 3.24Å; K637-Q641 PolarHBondContact O-N 3.22Å
638	R	48.9	Very low	49.9	Very low	171 Å²	171	120.7 Å²	120.7	65%	0.645	59%	0.592	S	S	*	*	H	α-helix	trans	-70.1	-24.9	168.1	-75.5	174.8	-178.9	176.7	0.4	112.9	L634 K642	L634-R638 WeakPolarHBondContact O-CA 3.43Å; L634-R638 WeakPolarHBondContact O-CB 3.33Å; L634-R638 WeakPolarHBondContact O-CG 3.44Å; L634-R638 PolarHBondContact O-N 3.38Å; R638-K642 WeakPolarHBondContact O-CA 3.32Å; R638-K642 WeakPolarHBondContact O-CB 3.47Å; R638-K642 VanDerWaalsContact O-CG 3.29Å; R638-K642 WeakPolarHBondContact O-CG 3.47Å; R638-K642 PolarHBondContact O-N 3.02Å
639	S	44.3	Very low	48.5	Very low	69 Å²	69	119.1 Å²	119.1	48%	0.483	59%	0.591	S	S	.	*	H	α-helix	trans	-82.8	-34.7	175.1	87.3	0	0	0	0	113.1	K635 A636 K642 Q643	K635-S639 WeakPolarHBondContact O-CB 3.42Å; K635-S639 PolarHBondContact O-N 3.14Å; A636-S639 PolarHBondContact O-N 3.32Å; A636-S639 PolarHBondContact O-OG 2.96Å; S639-K642 PolarHBondContact O-N 3.28Å; S639-Q643 WeakPolarHBondContact O-CB 3.37Å; S639-Q643 PolarHBondContact O-N 3.45Å
640	S	41.7	Very low	47.5	Very low	92 Å²	92	119.2 Å²	119.2	64%	0.643	60%	0.601	S	S	*	*	H	α-helix	trans	-73.4	-30.5	172.7	-176.3	0	0	0	0	113.2	A636	A636-S640 PolarHBondContact O-N 3.01Å
641	Q	43.3	Very low	46.5	Very low	118 Å²	118	125.4 Å²	125.4	55%	0.551	63%	0.625	S	S	*	*	H	α-helix	trans	-90.5	-12.9	169.6	-94.1	170.6	-39.9	0	0	114.8	K637 R645	K637-Q641 WeakPolarHBondContact O-CB 3.24Å; K637-Q641 PolarHBondContact O-N 3.22Å; Q641-R645 VanDerWaalsContact O-CB 3.31Å; Q641-R645 WeakPolarHBondContact O-CB 3.41Å
642	K	42.3	Very low	45.9	Very low	143 Å²	143	120.7 Å²	120.7	62%	0.622	63%	0.625	S	S	*	*	H	α-helix	trans	-81.6	-34.8	166.7	-94.3	-177.4	152.7	-175.5	0	112.7	R638 S639 R644 R645 A646	R638-K642 WeakPolarHBondContact O-CA 3.32Å; R638-K642 WeakPolarHBondContact O-CB 3.47Å; R638-K642 VanDerWaalsContact O-CG 3.29Å; R638-K642 WeakPolarHBondContact O-CG 3.47Å; R638-K642 PolarHBondContact O-N 3.02Å; S639-K642 PolarHBondContact O-N 3.28Å; K642-R644 PolarHBondContact O-N 3.38Å; K642-R645 PolarHBondContact O-N 3.44Å; K642-A646 WeakPolarHBondContact O-CB 3.49Å; K642-A646 PolarHBondContact O-N 2.89Å
643	Q	40.3	Very low	45.3	Very low	159 Å²	159	125.1 Å²	125.1	74%	0.743	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-8.7	-178.7	-152.2	75.4	10.1	0	0	113.8	S639	S639-Q643 WeakPolarHBondContact O-CB 3.37Å; S639-Q643 PolarHBondContact O-N 3.45Å
644	R	38.1	Very low	45.6	Very low	230 Å²	230	121.6 Å²	121.6	87%	0.868	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	5.2	175.1	-116	178	175.9	-179.1	-1.8	114.6	K642	K642-R644 PolarHBondContact O-N 3.38Å
645	R	38.7	Very low	46.1	Very low	205 Å²	205	120.7 Å²	120.7	77%	0.774	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	6.1	179.1	-118.2	175.3	-172.8	167.8	1.1	114.1	Q641 K642	Q641-R645 VanDerWaalsContact O-CB 3.31Å; Q641-R645 WeakPolarHBondContact O-CB 3.41Å; K642-R645 PolarHBondContact O-N 3.44Å
646	A	39.7	Very low	47.1	Very low	60 Å²	60	115.2 Å²	115.2	50%	0.496	61%	0.61	S	S	.	*	S	Bend	trans	-119.7	27.7	172.5	0	0	0	0	0	112.3	K642	K642-A646 WeakPolarHBondContact O-CB 3.49Å; K642-A646 PolarHBondContact O-N 2.89Å
647	T	41	Very low	48.7	Very low	121 Å²	121	114.2 Å²	114.2	74%	0.742	60%	0.598	S	S	*	*	S	Bend	trans	-129.6	28.3	171.7	31.5	0	0	0	0	111.3
648	A	39.8	Very low	50.4	Low	88 Å²	88	109.3 Å²	109.3	73%	0.727	58%	0.576	S	S	*	*	S	Bend	trans	-144.3	-2.1	177.1	0	0	0	0	0	115.6
649	D	37	Very low	52.2	Low	129 Å²	129	101.2 Å²	101.2	69%	0.69	55%	0.546	S	S	*	.	S	Bend	trans	-145.1	17	-171.3	-121.4	0.1	0	0	0	115.5
650	S	41	Very low	54.2	Low	100 Å²	100	98 Å²	98	70%	0.699	52%	0.523	S	S	*	.	S	Bend	trans	-123.2	7.2	170.8	-65.6	0	0	0	0	114.5	A652	S650-A652 VanDerWaalsContact C-N 3.33Å
651	E	40.8	Very low	56.2	Low	196 Å²	196	94 Å²	94	92%	0.916	50%	0.495	S	S	*	.	S	Bend	trans	-89	0.8	162.7	-80	-173.1	144.9	0	0	112.6
652	A	47.5	Very low	58.2	Low	81 Å²	81	88.4 Å²	88.4	67%	0.669	47%	0.469	S	S	*	.	S	Bend	trans	-102.5	3.5	-173.6	0	0	0	0	0	115.9	S650	S650-A652 VanDerWaalsContact C-N 3.33Å
653	L	51.6	Low	60	Low	137 Å²	137	81.9 Å²	81.9	72%	0.717	44%	0.442	S	S	*	.	S	Bend	trans	-122.9	-10.1	-176.3	-91.2	157.1	0	0	0	116	S655	L653-S655 PolarHBondContact O-N 2.91Å
654	L	63.4	Low	61.9	Low	80 Å²	80	78.9 Å²	78.9	42%	0.419	43%	0.427	S	S	.	.			trans	-87.2	111.1	173.6	-69.3	162.6	0	0	0	109	R720 R722	L654-R720 CarbonylContact C-O 3.52Å; L654-R722 HydrophobicContact CD1-CG 4.15Å
655	S	70.3	Confident	64	Low	59 Å²	59	77 Å²	77	41%	0.413	42%	0.42	S	S	.	.			trans	-90.4	-24.3	-177.3	-46.1	0	0	0	0	112.7	L653 R720	L653-S655 PolarHBondContact O-N 2.91Å; S655-R720 PolarHBondContact N-O 2.81Å; S655-R720 PolarHBondContact OG-NE 3.33Å; S655-R720 VanDerWaalsContact OG-NE 3.09Å; S655-R720 PolarHBondContact OG-NH2 2.94Å; S655-R720 VanDerWaalsContact OG-NH2 3.14Å
656	F	79.4	Confident	66.1	Low	24 Å²	24	68.1 Å²	68.1	11%	0.105	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.9	-172.6	-61	-80.9	0	0	0	111.3	S696 L697 C698 D703 R720 S721 R722	F656-S696 WeakPolarHBondContact CD1-OG 3.46Å; F656-L697 WeakPolarHBondContact CD1-O 3.43Å; F656-C698 HydrophobicContact CB-CB 4.03Å; F656-C698 HydrophobicContact CD1-CB 3.9Å; F656-C698 HydrophobicContact CD2-CB 3.59Å; F656-C698 HydrophobicContact CE1-CB 4.21Å; F656-C698 HydrophobicContact CE2-CB 3.93Å; F656-C698 HydrophobicContact CG-CB 3.58Å; F656-C698 HydrophobicContact CZ-CB 4.23Å; F656-D703 HydrophobicContact CZ-CB 4.27Å; F656-R720 HydrophobicContact CD2-CB 4.5Å; F656-R720 PolarHBondContact N-O 3.39Å; F656-S721 WeakPolarHBondContact O-CA 3.35Å; F656-R722 PolarHBondContact O-N 2.79Å
657	D	83.3	Confident	68.1	Low	33 Å²	33	65.5 Å²	65.5	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-36.6	174.4	-65.7	-54.7	0	0	0	110.9	L695 S696 R722 R723	D657-L695 HydrophobicContact CB-CB 4.3Å; D657-L695 HydrophobicContact CB-CD2 3.8Å; D657-L695 WeakPolarHBondContact OD2-CA 3.41Å; D657-S696 PolarHBondContact N-O 2.97Å; D657-S696 PolarHBondContact OD2-N 2.97Å; D657-R722 WeakPolarHBondContact O-CB 3.4Å; D657-R722 PolarHBondContact O-N 2.87Å; D657-R722 IonicContact OD1-NE 2.66Å; D657-R722 PolarHBondContact OD1-NE 3.47Å; D657-R723 PolarHBondContact O-N 3.43Å
658	A	85.4	Confident	70.1	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	146.4	171.8	0	0	0	0	0	114.8	S696 L697 C698 R723 V725 L807	A658-S696 PolarHBondContact N-O 3.45Å; A658-L697 HydrophobicContact CB-CD2 3.9Å; A658-L697 CarbonylContact O-C 3.55Å; A658-L697 VanDerWaalsContact O-CA 3.3Å; A658-L697 WeakPolarHBondContact O-CA 3.33Å; A658-C698 PolarHBondContact O-N 2.9Å; A658-R723 CarbonylContact C-O 3.45Å; A658-R723 WeakPolarHBondContact CA-O 3.44Å; A658-R723 HydrophobicContact CB-CB 4.41Å; A658-V725 HydrophobicContact CB-CG2 4.17Å; A658-L807 HydrophobicContact CB-CD2 3.52Å
659	F	87.8	Confident	72.5	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.009	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129	166.2	171.2	-118.8	0	0	0	109.5	C698 F704 I714 A717 I718 S721 R723 T724 V725	F659-C698 HydrophobicContact CB-CB 4.31Å; F659-C698 HydrophobicContact CD2-CB 3.99Å; F659-C698 VanDerWaalsContact CD2-O 3.27Å; F659-C698 WeakPolarHBondContact CD2-O 3.43Å; F659-F704 AromaticContact CE2-CE1 3.92Å; F659-F704 HydrophobicContact CE2-CE1 3.92Å; F659-F704 HydrophobicContact CE2-CZ 4.13Å; F659-F704 HydrophobicContact CZ-CE1 4.39Å; F659-F704 HydrophobicContact CZ-CZ 4.16Å; F659-I714 HydrophobicContact CE1-CG2 4.02Å; F659-I714 HydrophobicContact CZ-CG2 4.34Å; F659-A717 HydrophobicContact CD2-CB 3.6Å; F659-A717 HydrophobicContact CE2-CB 3.8Å; F659-A717 HydrophobicContact CG-CB 4.02Å; F659-A717 HydrophobicContact CZ-CB 4.37Å; F659-I718 HydrophobicContact CD1-CD1 4.15Å; F659-I718 HydrophobicContact CD1-CG1 3.53Å; F659-I718 HydrophobicContact CE1-CD1 4.35Å; F659-I718 HydrophobicContact CE1-CG1 4.07Å; F659-I718 HydrophobicContact CG-CG1 4.3Å; F659-S721 WeakPolarHBondContact CB-OG 3.4Å; F659-S721 PolarHBondContact N-OG 3.15Å; F659-R723 PolarHBondContact N-O 3.35Å; F659-T724 HydrophobicContact CD1-CG2 3.81Å; F659-T724 CarbonylContact O-C 3.31Å; F659-T724 WeakPolarHBondContact O-CA 3.41Å; F659-V725 PolarHBondContact O-N 3.08Å
660	V	86.7	Confident	74.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.7	178.9	-168.7	0	0	0	0	110.3	Y662 L674 L697 C698 L699 V725 V727	V660-Y662 HydrophobicContact CB-CD1 4.45Å; V660-Y662 HydrophobicContact CG1-CD1 4.03Å; V660-L674 HydrophobicContact CG1-CD2 3.74Å; V660-L674 HydrophobicContact CG2-CD2 4.14Å; V660-L697 HydrophobicContact CG2-CB 4.41Å; V660-L697 HydrophobicContact CG2-CD1 4.21Å; V660-L697 HydrophobicContact CG2-CD2 4.11Å; V660-L697 HydrophobicContact CG2-CG 4.48Å; V660-C698 PolarHBondContact N-O 3.09Å; V660-L699 HydrophobicContact CB-CD2 3.75Å; V660-L699 HydrophobicContact CG2-CD2 4.02Å; V660-V725 WeakPolarHBondContact CA-O 3.49Å; V660-V725 HydrophobicContact CG1-CB 4.47Å; V660-V725 HydrophobicContact CG2-CB 4.41Å; V660-V727 HydrophobicContact CG1-CG2 3.85Å
661	S	83	Confident	76.9	Confident	8 Å²	8	52.6 Å²	52.6	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.8	175.5	179.5	0	0	0	0	110	V725 V727	S661-V725 PolarHBondContact N-O 2.53Å; S661-V727 PolarHBondContact O-N 3.36Å
662	Y	84.6	Confident	78.8	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	26%	0.261	C	S	.	.			trans	-145.4	168.3	-176.5	62.9	-82.1	0	0	0	111.1	V660 A667 V670 L699 H700	V660-Y662 HydrophobicContact CB-CD1 4.45Å; V660-Y662 HydrophobicContact CG1-CD1 4.03Å; Y662-A667 HydrophobicContact CD2-CB 4.39Å; Y662-A667 HydrophobicContact CE2-CB 3.75Å; Y662-V670 HydrophobicContact CD1-CG1 4.3Å; Y662-V670 HydrophobicContact CD1-CG2 4.16Å; Y662-V670 HydrophobicContact CD2-CB 4.35Å; Y662-V670 HydrophobicContact CD2-CG2 3.85Å; Y662-V670 HydrophobicContact CE1-CG1 4.08Å; Y662-V670 HydrophobicContact CE2-CB 4.37Å; Y662-V670 HydrophobicContact CE2-CG2 4.37Å; Y662-V670 HydrophobicContact CG-CG2 3.75Å; Y662-L699 HydrophobicContact CE1-CD2 3.88Å; Y662-H700 AromaticContact CD1-NE2 3.98Å; Y662-H700 AromaticContact CD2-NE2 3.95Å; Y662-H700 AromaticContact CE1-CD2 3.62Å; Y662-H700 AromaticContact CE1-NE2 3.56Å; Y662-H700 AromaticContact CE2-NE2 3.52Å; Y662-H700 AromaticContact CZ-CD2 3.83Å; Y662-H700 AromaticContact CZ-NE2 3.31Å; Y662-H700 VanDerWaalsContact CZ-NE2 3.31Å
663	S	81.4	Confident	80.6	Confident	6 Å²	6	47.2 Å²	47.2	4%	0.042	25%	0.247	C	C	.	.			trans	-86.2	141.3	175.6	-168.6	0	0	0	0	109.8	R665 D666 A667 N731	S663-R665 PolarHBondContact O-N 3.5Å; S663-D666 VanDerWaalsContact CB-OD2 3.3Å; S663-D666 WeakPolarHBondContact CB-OD2 3.17Å; S663-D666 WeakPolarHBondContact O-CA 3.43Å; S663-D666 PolarHBondContact O-N 3.08Å; S663-A667 PolarHBondContact O-N 2.88Å; S663-N731 PolarHBondContact OG-O 3.49Å
664	E	79.6	Confident	82.2	Confident	96 Å²	96	40.8 Å²	40.8	45%	0.449	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-55.9	-28.5	176.3	-167.7	72	-149.8	0	0	112.1	D666 A667 H700 K701	E664-D666 VanDerWaalsContact C-N 3.26Å; E664-D666 PolarHBondContact O-N 3.36Å; E664-A667 WeakPolarHBondContact O-CB 3.19Å; E664-A667 PolarHBondContact O-N 3.35Å; E664-H700 IonicContact OE2-CE1 2.67Å; E664-H700 PolarHBondContact OE2-CE1 3.01Å; E664-H700 VanDerWaalsContact OE2-CE1 3.3Å; E664-K701 WeakPolarHBondContact OE1-CE 3.44Å; E664-K701 IonicContact OE1-NZ 3.23Å; E664-K701 PolarHBondContact OE1-NZ 3.4Å
665	R	82.1	Confident	83.2	Confident	190 Å²	190	38.4 Å²	38.4	72%	0.717	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-70.2	-22	176.5	-65.6	-173.1	-177.1	178.2	2	113.7	S663 N731	S663-R665 PolarHBondContact O-N 3.5Å; R665-N731 HydrophobicContact CB-CB 4.08Å
666	D	83.5	Confident	83.7	Confident	18 Å²	18	37.4 Å²	37.4	10%	0.096	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-101.4	4.9	177.5	-49.3	-43.4	0	0	0	111.8	S663 E664 G668 W669 V670 S729 N731 L762	S663-D666 VanDerWaalsContact CB-OD2 3.3Å; S663-D666 WeakPolarHBondContact CB-OD2 3.17Å; S663-D666 WeakPolarHBondContact O-CA 3.43Å; S663-D666 PolarHBondContact O-N 3.08Å; E664-D666 VanDerWaalsContact C-N 3.26Å; E664-D666 PolarHBondContact O-N 3.36Å; D666-G668 PolarHBondContact O-N 3.08Å; D666-G668 VanDerWaalsContact O-N 3.14Å; D666-W669 PolarHBondContact O-N 3.19Å; D666-V670 PolarHBondContact O-N 3.06Å; D666-S729 WeakPolarHBondContact OD2-CB 3.33Å; D666-S729 PolarHBondContact OD2-OG 2.88Å; D666-N731 WeakPolarHBondContact OD1-CB 3.05Å; D666-N731 PolarHBondContact OD1-ND2 3.28Å; D666-L762 HydrophobicContact CB-CD1 4.19Å
667	A	81.9	Confident	83.8	Confident	6 Å²	6	40.5 Å²	40.5	5%	0.05	21%	0.207	C	C	.	.	H	α-helix	trans	-54.5	-33.8	178.8	0	0	0	0	0	112.3	Y662 S663 E664 W669 V670 E671	Y662-A667 HydrophobicContact CD2-CB 4.39Å; Y662-A667 HydrophobicContact CE2-CB 3.75Å; S663-A667 PolarHBondContact O-N 2.88Å; E664-A667 WeakPolarHBondContact O-CB 3.19Å; E664-A667 PolarHBondContact O-N 3.35Å; A667-W669 VanDerWaalsContact C-N 3.29Å; A667-W669 PolarHBondContact O-N 3.36Å; A667-V670 PolarHBondContact O-N 3.27Å; A667-E671 WeakPolarHBondContact O-CB 3.3Å; A667-E671 WeakPolarHBondContact O-CG 3.19Å; A667-E671 PolarHBondContact O-N 3.18Å
668	G	82.6	Confident	83.7	Confident	46 Å²	46	39 Å²	39	47%	0.474	20%	0.2	S	C	.	.	H	α-helix	trans	-58.9	-37.8	177.7	0	0	0	0	0	113.3	D666 S672	D666-G668 PolarHBondContact O-N 3.08Å; D666-G668 VanDerWaalsContact O-N 3.14Å; G668-S672 WeakPolarHBondContact O-CB 3.45Å; G668-S672 PolarHBondContact O-N 2.73Å; G668-S672 VanDerWaalsContact O-N 3.09Å; G668-S672 PolarHBondContact O-OG 2.9Å
669	W	89.6	Confident	83.5	Confident	33 Å²	33	41.1 Å²	41.1	13%	0.125	21%	0.209	C	C	.	.	H	α-helix	trans	-72.4	-41.6	176.1	-178.6	91.4	0	0	0	111.5	D666 A667 F673 L674 V727 I760 L762 W789 W800	D666-W669 PolarHBondContact O-N 3.19Å; A667-W669 VanDerWaalsContact C-N 3.29Å; A667-W669 PolarHBondContact O-N 3.36Å; W669-F673 AromaticContact CD1-CD2 3.71Å; W669-F673 HydrophobicContact CG-CD2 4.22Å; W669-F673 WeakPolarHBondContact O-CB 3.45Å; W669-F673 PolarHBondContact O-N 3.1Å; W669-L674 HydrophobicContact CE3-CB 4.36Å; W669-L674 HydrophobicContact CH2-CB 4.28Å; W669-L674 HydrophobicContact CH2-CD1 4.11Å; W669-L674 HydrophobicContact CZ3-CB 3.85Å; W669-L674 HydrophobicContact CZ3-CD1 4.19Å; W669-L674 HydrophobicContact CZ3-CD2 4.19Å; W669-L674 HydrophobicContact CZ3-CG 4.29Å; W669-L674 PolarHBondContact O-N 3.3Å; W669-V727 HydrophobicContact CE3-CG1 4.38Å; W669-V727 HydrophobicContact CZ3-CG1 4.28Å; W669-V727 HydrophobicContact CZ3-CG2 4.38Å; W669-I760 HydrophobicContact CH2-CG2 4.35Å; W669-L762 HydrophobicContact CB-CD1 4.49Å; W669-L762 HydrophobicContact CD2-CD1 4.32Å; W669-L762 HydrophobicContact CD2-CD2 3.5Å; W669-L762 VanDerWaalsContact CD2-CD2 3.5Å; W669-L762 VanDerWaalsContact CE2-CD2 3.46Å; W669-L762 HydrophobicContact CE3-CD1 4.36Å; W669-L762 HydrophobicContact CE3-CD2 3.72Å; W669-L762 HydrophobicContact CG-CD1 4.36Å; W669-L762 HydrophobicContact CG-CD2 4.08Å; W669-L762 HydrophobicContact CH2-CD2 3.91Å; W669-L762 HydrophobicContact CZ2-CD2 3.7Å; W669-L762 HydrophobicContact CZ3-CD2 3.91Å; W669-W789 AromaticContact CZ2-CD2 3.77Å; W669-W789 HydrophobicContact CZ2-CD2 3.77Å; W669-W789 AromaticContact CZ2-CE3 3.52Å; W669-W789 HydrophobicContact CZ2-CE3 3.52Å; W669-W789 HydrophobicContact CZ2-CG 4.39Å; W669-W789 HydrophobicContact CZ2-CH2 4.16Å; W669-W789 HydrophobicContact CZ2-CZ2 4.41Å; W669-W789 AromaticContact CZ2-CZ3 3.73Å; W669-W789 HydrophobicContact CZ2-CZ3 3.73Å; W669-W789 AromaticContact NE1-CD2 3.7Å; W669-W789 AromaticContact NE1-CE2 3.33Å; W669-W789 VanDerWaalsContact NE1-CE2 3.33Å; W669-W789 AromaticContact NE1-CZ2 3.54Å; W669-W789 AromaticContact NE1-NE1 3.61Å; W669-W800 HydrophobicContact CH2-CH2 4.19Å; W669-W800 HydrophobicContact CZ2-CH2 4.15Å
670	V	86.3	Confident	82.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-63.2	-48.1	178.8	173.9	0	0	0	0	111.1	Y662 D666 A667 L674 I675 L699 V727	Y662-V670 HydrophobicContact CD1-CG1 4.3Å; Y662-V670 HydrophobicContact CD1-CG2 4.16Å; Y662-V670 HydrophobicContact CD2-CB 4.35Å; Y662-V670 HydrophobicContact CD2-CG2 3.85Å; Y662-V670 HydrophobicContact CE1-CG1 4.08Å; Y662-V670 HydrophobicContact CE2-CB 4.37Å; Y662-V670 HydrophobicContact CE2-CG2 4.37Å; Y662-V670 HydrophobicContact CG-CG2 3.75Å; D666-V670 PolarHBondContact O-N 3.06Å; A667-V670 PolarHBondContact O-N 3.27Å; V670-L674 HydrophobicContact CG1-CB 4.35Å; V670-L674 HydrophobicContact CG1-CD2 4.07Å; V670-L674 HydrophobicContact CG2-CD2 4.42Å; V670-L674 WeakPolarHBondContact O-CB 3.37Å; V670-L674 PolarHBondContact O-N 2.87Å; V670-L674 VanDerWaalsContact O-N 3.15Å; V670-I675 HydrophobicContact CG1-CD1 4.37Å; V670-I675 HydrophobicContact CG1-CG1 4.24Å; V670-I675 WeakPolarHBondContact O-CG1 3.47Å; V670-I675 PolarHBondContact O-N 2.77Å; V670-L699 HydrophobicContact CG1-CD2 4.35Å; V670-V727 HydrophobicContact CG2-CG2 4.49Å
671	E	84	Confident	81.4	Confident	87 Å²	87	51.9 Å²	51.9	41%	0.407	27%	0.268	S	S	.	.	I	π-helix	trans	-70.8	-34.7	-177.9	-67.7	173.7	-172.8	0	0	112.4	A667 I675 P676 K701	A667-E671 WeakPolarHBondContact O-CB 3.3Å; A667-E671 WeakPolarHBondContact O-CG 3.19Å; A667-E671 PolarHBondContact O-N 3.18Å; E671-I675 HydrophobicContact CG-CD1 4.22Å; E671-P676 WeakPolarHBondContact O-CD 3.15Å; E671-K701 IonicContact OE1-NZ 2.77Å; E671-K701 PolarHBondContact OE1-NZ 3.09Å
672	S	80.6	Confident	80.1	Confident	77 Å²	77	56.7 Å²	56.7	54%	0.538	30%	0.302	S	S	.	.	I	π-helix	trans	-90	-26	-175.7	-49.5	0	0	0	0	114.5	G668	G668-S672 WeakPolarHBondContact O-CB 3.45Å; G668-S672 PolarHBondContact O-N 2.73Å; G668-S672 VanDerWaalsContact O-N 3.09Å; G668-S672 PolarHBondContact O-OG 2.9Å
673	F	84.9	Confident	78.3	Confident	87 Å²	87	65.9 Å²	65.9	38%	0.382	35%	0.345	S	S	.	.	I	π-helix	trans	-123.2	-48.2	-174.7	-62.8	-81.4	0	0	0	113.2	W669 E677 W800	W669-F673 AromaticContact CD1-CD2 3.71Å; W669-F673 HydrophobicContact CG-CD2 4.22Å; W669-F673 WeakPolarHBondContact O-CB 3.45Å; W669-F673 PolarHBondContact O-N 3.1Å; F673-E677 WeakPolarHBondContact O-CB 3.5Å; F673-E677 VanDerWaalsContact O-CG 3.23Å; F673-E677 WeakPolarHBondContact O-CG 3.38Å; F673-E677 PolarHBondContact O-N 3.43Å; F673-W800 HydrophobicContact CB-CZ2 4.27Å
674	L	86.3	Confident	76.5	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	38%	0.383	C	S	.	.	I	π-helix	trans	-72	-45.9	-173.6	-171.8	69	0	0	0	112.9	V660 W669 V670 L678 W800 L803	V660-L674 HydrophobicContact CG1-CD2 3.74Å; V660-L674 HydrophobicContact CG2-CD2 4.14Å; W669-L674 HydrophobicContact CE3-CB 4.36Å; W669-L674 HydrophobicContact CH2-CB 4.28Å; W669-L674 HydrophobicContact CH2-CD1 4.11Å; W669-L674 HydrophobicContact CZ3-CB 3.85Å; W669-L674 HydrophobicContact CZ3-CD1 4.19Å; W669-L674 HydrophobicContact CZ3-CD2 4.19Å; W669-L674 HydrophobicContact CZ3-CG 4.29Å; W669-L674 PolarHBondContact O-N 3.3Å; V670-L674 HydrophobicContact CG1-CB 4.35Å; V670-L674 HydrophobicContact CG1-CD2 4.07Å; V670-L674 HydrophobicContact CG2-CD2 4.42Å; V670-L674 WeakPolarHBondContact O-CB 3.37Å; V670-L674 PolarHBondContact O-N 2.87Å; V670-L674 VanDerWaalsContact O-N 3.15Å; L674-L678 HydrophobicContact CD1-CD1 3.61Å; L674-L678 HydrophobicContact CD1-CG 4.45Å; L674-L678 HydrophobicContact CG-CD1 4.07Å; L674-L678 WeakPolarHBondContact O-CB 3.34Å; L674-L678 WeakPolarHBondContact O-CG 3.48Å; L674-L678 PolarHBondContact O-N 3.47Å; L674-W800 HydrophobicContact CD1-CH2 4.04Å; L674-W800 HydrophobicContact CD1-CZ3 3.67Å; L674-L803 HydrophobicContact CD1-CD2 3.86Å
675	I	84.3	Confident	74.8	Confident	31 Å²	31	72.3 Å²	72.3	16%	0.159	40%	0.4	C	S	.	.	H	α-helix	trans	-67.1	-51.5	-178	-62.8	173.5	0	0	0	111.3	V670 E671 E677 L678 E679 L699	V670-I675 HydrophobicContact CG1-CD1 4.37Å; V670-I675 HydrophobicContact CG1-CG1 4.24Å; V670-I675 WeakPolarHBondContact O-CG1 3.47Å; V670-I675 PolarHBondContact O-N 2.77Å; E671-I675 HydrophobicContact CG-CD1 4.22Å; I675-E677 VanDerWaalsContact C-N 3.33Å; I675-E677 PolarHBondContact O-N 3.49Å; I675-L678 PolarHBondContact O-N 2.93Å; I675-E679 HydrophobicContact CG2-CB 4.36Å; I675-E679 HydrophobicContact CG2-CG 4.11Å; I675-E679 WeakPolarHBondContact O-CB 3.46Å; I675-E679 PolarHBondContact O-N 2.96Å; I675-L699 HydrophobicContact CD1-CD1 3.31Å; I675-L699 HydrophobicContact CG1-CD1 3.92Å
676	P	80.9	Confident	72.7	Confident	37 Å²	37	68.4 Å²	68.4	24%	0.24	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-43	-177.5	-24	36.5	0	0	0	111.9	E671 L678 E680	E671-P676 WeakPolarHBondContact O-CD 3.15Å; P676-L678 VanDerWaalsContact C-N 3.33Å; P676-L678 PolarHBondContact O-N 3.32Å; P676-E680 VanDerWaalsContact O-CB 3.25Å; P676-E680 WeakPolarHBondContact O-CB 3.48Å; P676-E680 PolarHBondContact O-N 3.19Å; P676-E680 VanDerWaalsContact O-N 3.11Å
677	E	82.1	Confident	70.5	Confident	89 Å²	89	73.3 Å²	73.3	42%	0.416	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-32.7	-179.2	-74	-70	165.3	0	0	113.5	F673 I675 W800 R804	F673-E677 WeakPolarHBondContact O-CB 3.5Å; F673-E677 VanDerWaalsContact O-CG 3.23Å; F673-E677 WeakPolarHBondContact O-CG 3.38Å; F673-E677 PolarHBondContact O-N 3.43Å; I675-E677 VanDerWaalsContact C-N 3.33Å; I675-E677 PolarHBondContact O-N 3.49Å; E677-W800 HydrophobicContact CB-CD2 4.26Å; E677-W800 HydrophobicContact CB-CE3 4.34Å; E677-W800 HydrophobicContact CB-CH2 4.39Å; E677-W800 HydrophobicContact CB-CZ2 4.26Å; E677-W800 HydrophobicContact CB-CZ3 4.43Å; E677-W800 HydrophobicContact CG-CD2 4.25Å; E677-W800 HydrophobicContact CG-CH2 4.46Å; E677-W800 HydrophobicContact CG-CZ2 3.86Å; E677-R804 PolarHBondContact O-NH2 2.83Å
678	L	80.9	Confident	68.5	Low	3 Å²	3	78.3 Å²	78.3	2%	0.016	47%	0.473	C	S	.	.	H	α-helix	trans	-99.2	-32.4	-174.3	-63.1	-179.5	0	0	0	114.2	L674 I675 P676 L695 L697 L803 L807	L674-L678 HydrophobicContact CD1-CD1 3.61Å; L674-L678 HydrophobicContact CD1-CG 4.45Å; L674-L678 HydrophobicContact CG-CD1 4.07Å; L674-L678 WeakPolarHBondContact O-CB 3.34Å; L674-L678 WeakPolarHBondContact O-CG 3.48Å; L674-L678 PolarHBondContact O-N 3.47Å; I675-L678 PolarHBondContact O-N 2.93Å; P676-L678 VanDerWaalsContact C-N 3.33Å; P676-L678 PolarHBondContact O-N 3.32Å; L678-L695 HydrophobicContact CD2-CD1 4.32Å; L678-L695 PolarHBondContact O-N 3.35Å; L678-L697 HydrophobicContact CB-CD1 4.17Å; L678-L697 HydrophobicContact CD1-CD1 4.12Å; L678-L697 HydrophobicContact CD1-CD2 4.49Å; L678-L803 HydrophobicContact CD1-CD2 4.15Å; L678-L807 HydrophobicContact CD1-CD1 4.08Å
679	E	80.3	Confident	66.4	Low	43 Å²	43	82.4 Å²	82.4	20%	0.201	49%	0.489	C	S	.	.	H	α-helix	trans	-98.4	-26.4	-177.8	-54.7	-156.1	135.6	0	0	113.6	I675 P694 L695 L697 R702	I675-E679 HydrophobicContact CG2-CB 4.36Å; I675-E679 HydrophobicContact CG2-CG 4.11Å; I675-E679 WeakPolarHBondContact O-CB 3.46Å; I675-E679 PolarHBondContact O-N 2.96Å; E679-P694 VanDerWaalsContact O-CB 3.26Å; E679-P694 WeakPolarHBondContact O-CB 3.48Å; E679-L695 WeakPolarHBondContact CG-O 3.43Å; E679-L697 HydrophobicContact CG-CD1 4.25Å; E679-L697 HydrophobicContact CG-CG 4.18Å; E679-L697 WeakPolarHBondContact OE1-CB 3.36Å; E679-L697 PolarHBondContact OE1-N 3.12Å; E679-R702 IonicContact OE1-CZ 2.83Å; E679-R702 IonicContact OE1-NH1 3.4Å; E679-R702 IonicContact OE1-NH2 2.64Å; E679-R702 PolarHBondContact OE1-NH2 3.35Å; E679-R702 IonicContact OE2-CZ 3.87Å; E679-R702 IonicContact OE2-NH1 2.72Å; E679-R702 PolarHBondContact OE2-NH1 3.44Å; E679-R702 IonicContact OE2-NH2 3.51Å; E679-R702 PolarHBondContact OE2-NH2 3.29Å
680	E	72.2	Confident	64.2	Low	130 Å²	130	86 Å²	86	61%	0.607	52%	0.519	S	S	*	.	S	Bend	trans	-86.3	138.1	-178.7	-62.2	-177.7	168.6	0	0	112.7	P676	P676-E680 VanDerWaalsContact O-CB 3.25Å; P676-E680 WeakPolarHBondContact O-CB 3.48Å; P676-E680 PolarHBondContact O-N 3.19Å; P676-E680 VanDerWaalsContact O-N 3.11Å
681	P	59.2	Low	62.3	Low	99 Å²	99	92 Å²	92	64%	0.643	56%	0.56	S	S	*	*			trans	-74.7	126.1	176.3	27.9	-30.5	0	0	0	111.1	E683	P681-E683 PolarHBondContact O-N 3.34Å
682	S	54.8	Low	60.9	Low	110 Å²	110	90.1 Å²	90.1	77%	0.769	56%	0.557	S	S	*	*			trans	-63.5	115.4	175.2	52.2	0	0	0	0	111.1	D684	S682-D684 PolarHBondContact O-N 3.31Å
683	E	47.1	Very low	60.2	Low	193 Å²	193	96 Å²	96	90%	0.902	57%	0.567	S	S	*	*			trans	-79.2	20	-178.8	-77.1	-157.5	153.1	0	0	115.1	P681 G685	P681-E683 PolarHBondContact O-N 3.34Å; E683-G685 PolarHBondContact O-N 3.18Å
684	D	44.4	Very low	59.6	Low	159 Å²	159	94.7 Å²	94.7	85%	0.85	57%	0.568	S	S	*	*			trans	-98.7	95.2	177.7	-79.4	-29.5	0	0	0	112	S682 S686	S682-D684 PolarHBondContact O-N 3.31Å; D684-S686 PolarHBondContact O-N 3.17Å
685	G	43.9	Very low	59.4	Low	78 Å²	78	95.2 Å²	95.2	80%	0.804	57%	0.57	S	S	*	*			trans	-72.1	99.3	167.5	0	0	0	0	0	111.3	E683	E683-G685 PolarHBondContact O-N 3.18Å
686	S	36.3	Very low	59.4	Low	109 Å²	109	95.9 Å²	95.9	76%	0.762	58%	0.578	S	S	*	*			trans	-178.7	142.3	137.3	49.9	0	0	0	0	111.5	D684	D684-S686 PolarHBondContact O-N 3.17Å
687	S	37.2	Very low	59.7	Low	121 Å²	121	94.1 Å²	94.1	85%	0.846	57%	0.567	S	S	*	*			trans	83.5	120.5	168.9	79.1	0	0	0	0	117.9	T689	S687-T689 PolarHBondContact O-N 2.88Å
688	S	41.7	Very low	59.9	Low	111 Å²	111	90 Å²	90	78%	0.776	55%	0.548	S	S	*	.			trans	-64.4	114	-178.4	48.5	0	0	0	0	113.3
689	T	37.9	Very low	60.1	Low	132 Å²	132	90.1 Å²	90.1	81%	0.81	55%	0.548	S	S	*	.	S	Bend		-174.8	127.5	118.3	20.3	0	0	0	0	110.3	S687	S687-T689 PolarHBondContact O-N 2.88Å
690	S	43.3	Very low	60.1	Low	108 Å²	108	89 Å²	89	76%	0.755	54%	0.543	S	S	*	.			trans	70.5	93.8	178.9	81	0	0	0	0	116.8	S692	S690-S692 PolarHBondContact O-N 3.12Å
691	S	45.1	Very low	60.4	Low	125 Å²	125	88.5 Å²	88.5	87%	0.874	54%	0.539	S	S	*	.			trans	-55.2	105.4	160.7	51.8	0	0	0	0	110.4	R693	S691-R693 PolarHBondContact O-N 3.11Å
692	S	56.5	Low	61.5	Low	48 Å²	48	89.6 Å²	89.6	34%	0.336	53%	0.53	S	S	.	.			trans	-90.4	102.6	179.6	146.9	0	0	0	0	109.3	S690 R804 R808	S690-S692 PolarHBondContact O-N 3.12Å; S692-R804 PolarHBondContact OG-NH1 3.39Å; S692-R808 PolarHBondContact OG-NH2 3.39Å
693	R	65.8	Low	62.8	Low	200 Å²	200	86.4 Å²	86.4	76%	0.755	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60.4	137.9	174.3	-175.2	-178.6	173.3	167.2	-1.9	110.5	S691 R808	S691-R693 PolarHBondContact O-N 3.11Å; R693-R808 PolarHBondContact O-NH2 3.22Å
694	P	71.8	Confident	64.6	Low	60 Å²	60	79 Å²	79	39%	0.39	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-60.7	137.3	172.2	24.2	-31.9	0	0	0	110	E679	E679-P694 VanDerWaalsContact O-CB 3.26Å; E679-P694 WeakPolarHBondContact O-CB 3.48Å
695	L	81.1	Confident	66	Low	13 Å²	13	76.2 Å²	76.2	7%	0.068	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-88.9	138.8	-178.5	-69	165.9	0	0	0	108.9	D657 L678 E679 R804 L807 R808	D657-L695 HydrophobicContact CB-CB 4.3Å; D657-L695 HydrophobicContact CB-CD2 3.8Å; D657-L695 WeakPolarHBondContact OD2-CA 3.41Å; L678-L695 HydrophobicContact CD2-CD1 4.32Å; L678-L695 PolarHBondContact O-N 3.35Å; E679-L695 WeakPolarHBondContact CG-O 3.43Å; L695-R804 HydrophobicContact CD1-CG 4.05Å; L695-L807 HydrophobicContact CD1-CB 4.19Å; L695-L807 HydrophobicContact CD1-CD1 3.96Å; L695-R808 HydrophobicContact CD2-CG 4.34Å
696	S	84.6	Confident	67.4	Low	45 Å²	45	78.7 Å²	78.7	32%	0.315	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-94.2	122.7	176.7	-174.2	0	0	0	0	111.1	F656 D657 A658	F656-S696 WeakPolarHBondContact CD1-OG 3.46Å; D657-S696 PolarHBondContact N-O 2.97Å; D657-S696 PolarHBondContact OD2-N 2.97Å; A658-S696 PolarHBondContact N-O 3.45Å
697	L	87.3	Confident	68.9	Low	1 Å²	1	77.6 Å²	77.6	1%	0.005	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.2	-179	-57.6	178.6	0	0	0	111.8	F656 A658 V660 L678 E679 R702	F656-L697 WeakPolarHBondContact CD1-O 3.43Å; A658-L697 HydrophobicContact CB-CD2 3.9Å; A658-L697 CarbonylContact O-C 3.55Å; A658-L697 VanDerWaalsContact O-CA 3.3Å; A658-L697 WeakPolarHBondContact O-CA 3.33Å; V660-L697 HydrophobicContact CG2-CB 4.41Å; V660-L697 HydrophobicContact CG2-CD1 4.21Å; V660-L697 HydrophobicContact CG2-CD2 4.11Å; V660-L697 HydrophobicContact CG2-CG 4.48Å; L678-L697 HydrophobicContact CB-CD1 4.17Å; L678-L697 HydrophobicContact CD1-CD1 4.12Å; L678-L697 HydrophobicContact CD1-CD2 4.49Å; E679-L697 HydrophobicContact CG-CD1 4.25Å; E679-L697 HydrophobicContact CG-CG 4.18Å; E679-L697 WeakPolarHBondContact OE1-CB 3.36Å; E679-L697 PolarHBondContact OE1-N 3.12Å; L697-R702 PolarHBondContact O-NH2 3.05Å
698	C	86.4	Confident	70.5	Confident	2 Å²	2	77.3 Å²	77.3	1%	0.014	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.5	168.7	-172.6	0	0	0	0	109.3	F656 A658 F659 V660 D703	F656-C698 HydrophobicContact CB-CB 4.03Å; F656-C698 HydrophobicContact CD1-CB 3.9Å; F656-C698 HydrophobicContact CD2-CB 3.59Å; F656-C698 HydrophobicContact CE1-CB 4.21Å; F656-C698 HydrophobicContact CE2-CB 3.93Å; F656-C698 HydrophobicContact CG-CB 3.58Å; F656-C698 HydrophobicContact CZ-CB 4.23Å; A658-C698 PolarHBondContact O-N 2.9Å; F659-C698 HydrophobicContact CB-CB 4.31Å; F659-C698 HydrophobicContact CD2-CB 3.99Å; F659-C698 VanDerWaalsContact CD2-O 3.27Å; F659-C698 WeakPolarHBondContact CD2-O 3.43Å; V660-C698 PolarHBondContact N-O 3.09Å; C698-D703 WeakPolarHBondContact CA-OD2 3.39Å
699	L	85.3	Confident	71.9	Confident	6 Å²	6	75.8 Å²	75.8	3%	0.031	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.7	-177.4	-57.2	172.3	0	0	0	111.1	V660 Y662 V670 I675 K701 R702 D703	V660-L699 HydrophobicContact CB-CD2 3.75Å; V660-L699 HydrophobicContact CG2-CD2 4.02Å; Y662-L699 HydrophobicContact CE1-CD2 3.88Å; V670-L699 HydrophobicContact CG1-CD2 4.35Å; I675-L699 HydrophobicContact CD1-CD1 3.31Å; I675-L699 HydrophobicContact CG1-CD1 3.92Å; L699-K701 VanDerWaalsContact C-N 3.25Å; L699-K701 PolarHBondContact O-N 3.11Å; L699-R702 HydrophobicContact CB-CB 4.27Å; L699-R702 PolarHBondContact O-N 3.46Å; L699-D703 PolarHBondContact N-OD2 3.14Å; L699-D703 PolarHBondContact O-N 3.01Å
700	H	80.9	Confident	73.5	Confident	19 Å²	19	73.1 Å²	73.1	9%	0.088	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.7	-175.8	67.8	78.1	0	0	0	114.1	Y662 E664 F704 W737	Y662-H700 AromaticContact CD1-NE2 3.98Å; Y662-H700 AromaticContact CD2-NE2 3.95Å; Y662-H700 AromaticContact CE1-CD2 3.62Å; Y662-H700 AromaticContact CE1-NE2 3.56Å; Y662-H700 AromaticContact CE2-NE2 3.52Å; Y662-H700 AromaticContact CZ-CD2 3.83Å; Y662-H700 AromaticContact CZ-NE2 3.31Å; Y662-H700 VanDerWaalsContact CZ-NE2 3.31Å; E664-H700 IonicContact OE2-CE1 2.67Å; E664-H700 PolarHBondContact OE2-CE1 3.01Å; E664-H700 VanDerWaalsContact OE2-CE1 3.3Å; H700-F704 HydrophobicContact CB-CD1 4.13Å; H700-F704 HydrophobicContact CB-CD2 3.82Å; H700-F704 HydrophobicContact CB-CE1 3.87Å; H700-F704 HydrophobicContact CB-CE2 3.57Å; H700-F704 HydrophobicContact CB-CG 4.11Å; H700-F704 HydrophobicContact CB-CZ 3.59Å; H700-F704 WeakPolarHBondContact O-CB 3.46Å; H700-F704 WeakPolarHBondContact O-CG 3.49Å; H700-W737 HydrophobicContact CB-CH2 3.9Å; H700-W737 HydrophobicContact CB-CZ2 3.85Å; H700-W737 AromaticContact CG-CZ2 3.81Å
701	K	77.3	Confident	74.7	Confident	119 Å²	119	69.8 Å²	69.8	52%	0.517	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-22.9	178.8	-167.7	174	-179.8	174.8	0	113.4	E664 E671 L699	E664-K701 WeakPolarHBondContact OE1-CE 3.44Å; E664-K701 IonicContact OE1-NZ 3.23Å; E664-K701 PolarHBondContact OE1-NZ 3.4Å; E671-K701 IonicContact OE1-NZ 2.77Å; E671-K701 PolarHBondContact OE1-NZ 3.09Å; L699-K701 VanDerWaalsContact C-N 3.25Å; L699-K701 PolarHBondContact O-N 3.11Å
702	R	83.2	Confident	75.9	Confident	123 Å²	123	67.3 Å²	67.3	46%	0.464	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-44	-175.5	-172.5	172.3	69.9	-177.7	2.1	112.3	E679 L697 L699	E679-R702 IonicContact OE1-CZ 2.83Å; E679-R702 IonicContact OE1-NH1 3.4Å; E679-R702 IonicContact OE1-NH2 2.64Å; E679-R702 PolarHBondContact OE1-NH2 3.35Å; E679-R702 IonicContact OE2-CZ 3.87Å; E679-R702 IonicContact OE2-NH1 2.72Å; E679-R702 PolarHBondContact OE2-NH1 3.44Å; E679-R702 IonicContact OE2-NH2 3.51Å; E679-R702 PolarHBondContact OE2-NH2 3.29Å; L697-R702 PolarHBondContact O-NH2 3.05Å; L699-R702 HydrophobicContact CB-CB 4.27Å; L699-R702 PolarHBondContact O-N 3.46Å
703	D	82.1	Confident	77	Confident	42 Å²	42	65.9 Å²	65.9	23%	0.225	35%	0.351	C	S	.	.	S	Bend	trans	-112.3	-3.3	-161.1	-56.2	-58	0	0	0	114.2	F656 C698 L699	F656-D703 HydrophobicContact CZ-CB 4.27Å; C698-D703 WeakPolarHBondContact CA-OD2 3.39Å; L699-D703 PolarHBondContact N-OD2 3.14Å; L699-D703 PolarHBondContact O-N 3.01Å
704	F	84.2	Confident	77.4	Confident	39 Å²	39	56.8 Å²	56.8	17%	0.171	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-77.3	136.3	177.9	-80.5	16.3	0	0	0	111.7	F659 H700 P706 N713 I714 A717 W737	F659-F704 AromaticContact CE2-CE1 3.92Å; F659-F704 HydrophobicContact CE2-CE1 3.92Å; F659-F704 HydrophobicContact CE2-CZ 4.13Å; F659-F704 HydrophobicContact CZ-CE1 4.39Å; F659-F704 HydrophobicContact CZ-CZ 4.16Å; H700-F704 HydrophobicContact CB-CD1 4.13Å; H700-F704 HydrophobicContact CB-CD2 3.82Å; H700-F704 HydrophobicContact CB-CE1 3.87Å; H700-F704 HydrophobicContact CB-CE2 3.57Å; H700-F704 HydrophobicContact CB-CG 4.11Å; H700-F704 HydrophobicContact CB-CZ 3.59Å; H700-F704 WeakPolarHBondContact O-CB 3.46Å; H700-F704 WeakPolarHBondContact O-CG 3.49Å; F704-P706 WeakPolarHBondContact O-CD 3.5Å; F704-N713 HydrophobicContact CB-CB 4.28Å; F704-N713 HydrophobicContact CD1-CB 4.04Å; F704-N713 HydrophobicContact CD2-CB 3.53Å; F704-N713 HydrophobicContact CE1-CB 4.2Å; F704-N713 HydrophobicContact CE2-CB 3.69Å; F704-N713 HydrophobicContact CG-CB 3.7Å; F704-N713 HydrophobicContact CZ-CB 4.04Å; F704-I714 HydrophobicContact CE2-CG1 3.94Å; F704-I714 HydrophobicContact CZ-CB 4.45Å; F704-I714 HydrophobicContact CZ-CG1 3.66Å; F704-A717 HydrophobicContact CE1-CB 3.99Å; F704-W737 AromaticContact CE2-CH2 3.73Å; F704-W737 HydrophobicContact CE2-CH2 3.73Å; F704-W737 HydrophobicContact CE2-CZ2 4.14Å; F704-W737 AromaticContact CZ-CH2 3.93Å; F704-W737 HydrophobicContact CZ-CH2 3.93Å
705	L	74.8	Confident	77.3	Confident	100 Å²	100	58 Å²	58	52%	0.524	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-84.2	123.4	-178.5	-64.5	173.4	0	0	0	110.2	N713	L705-N713 PolarHBondContact N-OD1 3.5Å; L705-N713 PolarHBondContact O-ND2 3.03Å
706	P	72.1	Confident	76.9	Confident	129 Å²	129	59.6 Å²	59.6	84%	0.838	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	137	176.4	-20.2	31.5	0	0	0	111.4	F704	F704-P706 WeakPolarHBondContact O-CD 3.5Å
707	G	68.6	Low	76.5	Confident	86 Å²	86	57.7 Å²	57.7	89%	0.887	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.9	-9.5	177.8	0	0	0	0	0	115.5
708	H	69.6	Low	76	Confident	115 Å²	115	58.3 Å²	58.3	53%	0.532	32%	0.321	S	S	.	.	S	Bend	trans	-90.6	157.1	167.1	-77.4	-90	0	0	0	111.7
709	T	72.7	Confident	75.3	Confident	80 Å²	80	65.3 Å²	65.3	49%	0.491	35%	0.354	S	S	.	.			trans	-66.9	150.3	173.2	76.1	0	0	0	0	109.8	M711 D712 N713	T709-M711 PolarHBondContact O-N 3.19Å; T709-D712 PolarHBondContact O-N 3.27Å; T709-D712 VanDerWaalsContact O-N 3.15Å; T709-D712 PolarHBondContact OG1-N 3.28Å; T709-D712 PolarHBondContact OG1-OD2 2.67Å; T709-N713 PolarHBondContact O-N 3.23Å; T709-N713 VanDerWaalsContact O-N 3.08Å
710	I	70.9	Confident	74.9	Confident	76 Å²	76	69 Å²	69	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-56	-38	179.1	-64.5	170.9	0	0	0	110.2	N713 I714 W737	I710-N713 PolarHBondContact O-N 3.09Å; I710-I714 HydrophobicContact CG2-CD1 3.79Å; I710-I714 HydrophobicContact CG2-CG1 4.45Å; I710-I714 WeakPolarHBondContact O-CD1 3.29Å; I710-I714 WeakPolarHBondContact O-CG1 2.96Å; I710-I714 PolarHBondContact O-N 2.99Å; I710-W737 HydrophobicContact CG2-CH2 4.35Å; I710-W737 HydrophobicContact CG2-CZ2 4.23Å
711	M	68.9	Low	74.9	Confident	38 Å²	38	68.5 Å²	68.5	19%	0.187	37%	0.366	C	S	.	.	H	α-helix	trans	-64.9	-43.9	178	-66.9	-58.2	-72.4	0	0	113.1	T709 N713 I714 M715 Y740 D743 F744	T709-M711 PolarHBondContact O-N 3.19Å; M711-N713 VanDerWaalsContact C-N 3.32Å; M711-N713 PolarHBondContact O-N 3.42Å; M711-I714 PolarHBondContact O-N 3.07Å; M711-I714 HydrophobicContact SD-CD1 4.41Å; M711-M715 WeakPolarHBondContact O-CG 3.33Å; M711-M715 PolarHBondContact O-N 3.06Å; M711-Y740 HydrophobicContact CG-CD1 4.23Å; M711-Y740 HydrophobicContact SD-CD1 3.73Å; M711-Y740 HydrophobicContact SD-CG 3.97Å; M711-D743 HydrophobicContact CE-CB 4.19Å; M711-F744 HydrophobicContact CE-CD2 3.99Å; M711-F744 HydrophobicContact CE-CE2 4.43Å
712	D	70.6	Confident	74.9	Confident	72 Å²	72	70.1 Å²	70.1	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-38.2	178.4	-61.2	-39.3	0	0	0	111.6	T709 M715 S716	T709-D712 PolarHBondContact O-N 3.27Å; T709-D712 VanDerWaalsContact O-N 3.15Å; T709-D712 PolarHBondContact OG1-N 3.28Å; T709-D712 PolarHBondContact OG1-OD2 2.67Å; D712-M715 PolarHBondContact O-N 2.83Å; D712-S716 VanDerWaalsContact O-CB 3.3Å; D712-S716 WeakPolarHBondContact O-CB 3.49Å; D712-S716 PolarHBondContact O-N 3.05Å
713	N	78.9	Confident	74.7	Confident	18 Å²	18	66.5 Å²	66.5	10%	0.096	36%	0.355	C	S	.	.	H	α-helix	trans	-64.4	-40	175.3	-83.9	-35.9	0	0	0	111.9	F704 L705 T709 I710 M711 A717	F704-N713 HydrophobicContact CB-CB 4.28Å; F704-N713 HydrophobicContact CD1-CB 4.04Å; F704-N713 HydrophobicContact CD2-CB 3.53Å; F704-N713 HydrophobicContact CE1-CB 4.2Å; F704-N713 HydrophobicContact CE2-CB 3.69Å; F704-N713 HydrophobicContact CG-CB 3.7Å; F704-N713 HydrophobicContact CZ-CB 4.04Å; L705-N713 PolarHBondContact N-OD1 3.5Å; L705-N713 PolarHBondContact O-ND2 3.03Å; T709-N713 PolarHBondContact O-N 3.23Å; T709-N713 VanDerWaalsContact O-N 3.08Å; I710-N713 PolarHBondContact O-N 3.09Å; M711-N713 VanDerWaalsContact C-N 3.32Å; M711-N713 PolarHBondContact O-N 3.42Å; N713-A717 VanDerWaalsContact O-CB 3.26Å; N713-A717 WeakPolarHBondContact O-CB 3.33Å; N713-A717 PolarHBondContact O-N 3.44Å
714	I	74.6	Confident	74.6	Confident	10 Å²	10	65 Å²	65	5%	0.051	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-45.8	175	-63	160.6	0	0	0	110.9	F659 F704 I710 M711 S716 A717 I718 W737 F744	F659-I714 HydrophobicContact CE1-CG2 4.02Å; F659-I714 HydrophobicContact CZ-CG2 4.34Å; F704-I714 HydrophobicContact CE2-CG1 3.94Å; F704-I714 HydrophobicContact CZ-CB 4.45Å; F704-I714 HydrophobicContact CZ-CG1 3.66Å; I710-I714 HydrophobicContact CG2-CD1 3.79Å; I710-I714 HydrophobicContact CG2-CG1 4.45Å; I710-I714 WeakPolarHBondContact O-CD1 3.29Å; I710-I714 WeakPolarHBondContact O-CG1 2.96Å; I710-I714 PolarHBondContact O-N 2.99Å; M711-I714 PolarHBondContact O-N 3.07Å; M711-I714 HydrophobicContact SD-CD1 4.41Å; I714-S716 VanDerWaalsContact C-N 3.35Å; I714-S716 PolarHBondContact O-N 2.84Å; I714-A717 PolarHBondContact O-N 2.81Å; I714-I718 HydrophobicContact CG2-CD1 4.05Å; I714-I718 WeakPolarHBondContact O-CG1 3.49Å; I714-I718 PolarHBondContact O-N 3.01Å; I714-W737 HydrophobicContact CD1-CE3 4.06Å; I714-W737 HydrophobicContact CD1-CH2 3.6Å; I714-W737 HydrophobicContact CD1-CZ3 3.26Å; I714-W737 HydrophobicContact CG1-CH2 3.63Å; I714-W737 HydrophobicContact CG1-CZ3 3.6Å; I714-F744 HydrophobicContact CB-CE2 4.21Å; I714-F744 HydrophobicContact CG2-CD2 4.32Å; I714-F744 HydrophobicContact CG2-CE2 3.43Å; I714-F744 VanDerWaalsContact CG2-CE2 3.43Å; I714-F744 HydrophobicContact CG2-CZ 3.7Å
715	M	69.3	Low	74.6	Confident	86 Å²	86	63.3 Å²	63.3	42%	0.424	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-45.8	179.1	-74.1	-168.8	-77.4	0	0	111.3	M711 D712 A717 I718 E719 F744	M711-M715 WeakPolarHBondContact O-CG 3.33Å; M711-M715 PolarHBondContact O-N 3.06Å; D712-M715 PolarHBondContact O-N 2.83Å; M715-A717 PolarHBondContact O-N 3.24Å; M715-I718 PolarHBondContact O-N 3.33Å; M715-E719 WeakPolarHBondContact O-CG 3.43Å; M715-E719 PolarHBondContact O-N 3.38Å; M715-F744 HydrophobicContact CG-CE2 4.18Å; M715-F744 HydrophobicContact CG-CZ 4.27Å
716	S	71.9	Confident	74.8	Confident	46 Å²	46	59.7 Å²	59.7	32%	0.322	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.9	-178.1	0	0	0	0	112.6	D712 I714 I718 E719 R720	D712-S716 VanDerWaalsContact O-CB 3.3Å; D712-S716 WeakPolarHBondContact O-CB 3.49Å; D712-S716 PolarHBondContact O-N 3.05Å; I714-S716 VanDerWaalsContact C-N 3.35Å; I714-S716 PolarHBondContact O-N 2.84Å; S716-I718 VanDerWaalsContact C-N 3.33Å; S716-I718 PolarHBondContact O-N 3.4Å; S716-E719 PolarHBondContact O-N 2.86Å; S716-R720 VanDerWaalsContact O-CB 3.3Å; S716-R720 WeakPolarHBondContact O-CB 3.21Å; S716-R720 WeakPolarHBondContact O-CD 3.32Å; S716-R720 WeakPolarHBondContact O-CG 3.18Å; S716-R720 PolarHBondContact O-N 3.23Å
717	A	77.6	Confident	75.4	Confident	4 Å²	4	53.6 Å²	53.6	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-37.2	178.2	0	0	0	0	0	112.6	F659 F704 N713 I714 M715 S721	F659-A717 HydrophobicContact CD2-CB 3.6Å; F659-A717 HydrophobicContact CE2-CB 3.8Å; F659-A717 HydrophobicContact CG-CB 4.02Å; F659-A717 HydrophobicContact CZ-CB 4.37Å; F704-A717 HydrophobicContact CE1-CB 3.99Å; N713-A717 VanDerWaalsContact O-CB 3.26Å; N713-A717 WeakPolarHBondContact O-CB 3.33Å; N713-A717 PolarHBondContact O-N 3.44Å; I714-A717 PolarHBondContact O-N 2.81Å; M715-A717 PolarHBondContact O-N 3.24Å; A717-S721 VanDerWaalsContact O-CB 3.29Å; A717-S721 WeakPolarHBondContact O-CB 3.12Å; A717-S721 PolarHBondContact O-N 3.01Å; A717-S721 PolarHBondContact O-OG 3.43Å
718	I	75.3	Confident	76	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-73.7	-44.3	177.2	-67.5	-178.8	0	0	0	111.5	F659 I714 M715 S716 R720 S721 T724 F744	F659-I718 HydrophobicContact CD1-CD1 4.15Å; F659-I718 HydrophobicContact CD1-CG1 3.53Å; F659-I718 HydrophobicContact CE1-CD1 4.35Å; F659-I718 HydrophobicContact CE1-CG1 4.07Å; F659-I718 HydrophobicContact CG-CG1 4.3Å; I714-I718 HydrophobicContact CG2-CD1 4.05Å; I714-I718 WeakPolarHBondContact O-CG1 3.49Å; I714-I718 PolarHBondContact O-N 3.01Å; M715-I718 PolarHBondContact O-N 3.33Å; S716-I718 VanDerWaalsContact C-N 3.33Å; S716-I718 PolarHBondContact O-N 3.4Å; I718-R720 PolarHBondContact O-N 3.06Å; I718-S721 PolarHBondContact O-N 2.74Å; I718-S721 VanDerWaalsContact O-N 3.09Å; I718-S721 VanDerWaalsContact O-O 3.09Å; I718-T724 HydrophobicContact CD1-CG2 4.3Å; I718-T724 HydrophobicContact CG1-CG2 4.46Å; I718-F744 HydrophobicContact CD1-CD1 4.37Å; I718-F744 HydrophobicContact CD1-CE1 3.25Å; I718-F744 HydrophobicContact CD1-CE2 4.41Å; I718-F744 HydrophobicContact CD1-CZ 3.3Å; I718-F744 HydrophobicContact CG1-CZ 4.47Å
719	E	71.9	Confident	76.6	Confident	150 Å²	150	44.2 Å²	44.2	70%	0.701	21%	0.214	S	C	*	.	H	α-helix	trans	-60.9	-28.6	176.3	-73.6	-178.2	167.6	0	0	112.7	M715 S716	M715-E719 WeakPolarHBondContact O-CG 3.43Å; M715-E719 PolarHBondContact O-N 3.38Å; S716-E719 PolarHBondContact O-N 2.86Å
720	R	76.7	Confident	77	Confident	82 Å²	82	44.6 Å²	44.6	31%	0.309	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.8	179	-67.4	172.1	65.2	-158.7	-2.9	114	L654 S655 F656 S716 I718	L654-R720 CarbonylContact C-O 3.52Å; S655-R720 PolarHBondContact N-O 2.81Å; S655-R720 PolarHBondContact OG-NE 3.33Å; S655-R720 VanDerWaalsContact OG-NE 3.09Å; S655-R720 PolarHBondContact OG-NH2 2.94Å; S655-R720 VanDerWaalsContact OG-NH2 3.14Å; F656-R720 HydrophobicContact CD2-CB 4.5Å; F656-R720 PolarHBondContact N-O 3.39Å; S716-R720 VanDerWaalsContact O-CB 3.3Å; S716-R720 WeakPolarHBondContact O-CB 3.21Å; S716-R720 WeakPolarHBondContact O-CD 3.32Å; S716-R720 WeakPolarHBondContact O-CG 3.18Å; S716-R720 PolarHBondContact O-N 3.23Å; I718-R720 PolarHBondContact O-N 3.06Å
721	S	80.8	Confident	77.4	Confident	10 Å²	10	43.3 Å²	43.3	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.1	-177	-60.2	0	0	0	0	112.1	F656 F659 A717 I718	F656-S721 WeakPolarHBondContact O-CA 3.35Å; F659-S721 WeakPolarHBondContact CB-OG 3.4Å; F659-S721 PolarHBondContact N-OG 3.15Å; A717-S721 VanDerWaalsContact O-CB 3.29Å; A717-S721 WeakPolarHBondContact O-CB 3.12Å; A717-S721 PolarHBondContact O-N 3.01Å; A717-S721 PolarHBondContact O-OG 3.43Å; I718-S721 PolarHBondContact O-N 2.74Å; I718-S721 VanDerWaalsContact O-N 3.09Å; I718-S721 VanDerWaalsContact O-O 3.09Å
722	R	77.3	Confident	77.8	Confident	152 Å²	152	41.7 Å²	41.7	57%	0.574	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	-36.1	179	-58.5	178.5	-170.8	-132.3	-4.8	112.9	L654 F656 D657	L654-R722 HydrophobicContact CD1-CG 4.15Å; F656-R722 PolarHBondContact O-N 2.79Å; D657-R722 WeakPolarHBondContact O-CB 3.4Å; D657-R722 PolarHBondContact O-N 2.87Å; D657-R722 IonicContact OD1-NE 2.66Å; D657-R722 PolarHBondContact OD1-NE 3.47Å
723	R	80.9	Confident	77.9	Confident	48 Å²	48	38.4 Å²	38.4	18%	0.181	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.1	179.7	-60.9	-68.2	-167	-170.7	-3	110.3	D657 A658 F659 D755 I758 L807 G809	D657-R723 PolarHBondContact O-N 3.43Å; A658-R723 CarbonylContact C-O 3.45Å; A658-R723 WeakPolarHBondContact CA-O 3.44Å; A658-R723 HydrophobicContact CB-CB 4.41Å; F659-R723 PolarHBondContact N-O 3.35Å; R723-D755 PolarHBondContact NH1-O 3.35Å; R723-I758 HydrophobicContact CB-CD1 4.48Å; R723-L807 HydrophobicContact CB-CD2 4.01Å; R723-L807 HydrophobicContact CG-CD2 4.45Å; R723-G809 VanDerWaalsContact NH2-CA 3.31Å
724	T	79.2	Confident	77.4	Confident	11 Å²	11	43.2 Å²	43.2	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.5	173.2	-58.2	0	0	0	0	109.8	F659 I718 F726 T756 A757 I758	F659-T724 HydrophobicContact CD1-CG2 3.81Å; F659-T724 CarbonylContact O-C 3.31Å; F659-T724 WeakPolarHBondContact O-CA 3.41Å; I718-T724 HydrophobicContact CD1-CG2 4.3Å; I718-T724 HydrophobicContact CG1-CG2 4.46Å; T724-F726 HydrophobicContact CG2-CD2 4.23Å; T724-F726 HydrophobicContact CG2-CE2 3.61Å; T724-F726 HydrophobicContact CG2-CZ 3.83Å; T724-T756 PolarHBondContact N-O 2.68Å; T724-A757 CarbonylContact O-C 3.59Å; T724-A757 WeakPolarHBondContact O-CA 2.99Å; T724-I758 PolarHBondContact O-N 3.17Å
725	V	83.2	Confident	77.1	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.1	179.7	-178.1	0	0	0	0	109.2	A658 F659 V660 S661 I758 I760 L807	A658-V725 HydrophobicContact CB-CG2 4.17Å; F659-V725 PolarHBondContact O-N 3.08Å; V660-V725 WeakPolarHBondContact CA-O 3.49Å; V660-V725 HydrophobicContact CG1-CB 4.47Å; V660-V725 HydrophobicContact CG2-CB 4.41Å; S661-V725 PolarHBondContact N-O 2.53Å; V725-I758 CarbonylContact C-O 3.42Å; V725-I758 WeakPolarHBondContact CA-O 3.47Å; V725-I758 HydrophobicContact CG2-CB 4.31Å; V725-I758 HydrophobicContact CG2-CD1 4.46Å; V725-I760 HydrophobicContact CG1-CD1 3.49Å; V725-I760 VanDerWaalsContact CG1-CD1 3.49Å; V725-I760 HydrophobicContact CG1-CG1 3.99Å; V725-L807 HydrophobicContact CG2-CD2 3.68Å
726	F	80.8	Confident	76.5	Confident	24 Å²	24	44.5 Å²	44.5	11%	0.105	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.4	173.2	-67.4	-88.1	0	0	0	110.1	T724 L728 F732 A757 I758 L759 I760	T724-F726 HydrophobicContact CG2-CD2 4.23Å; T724-F726 HydrophobicContact CG2-CE2 3.61Å; T724-F726 HydrophobicContact CG2-CZ 3.83Å; F726-L728 HydrophobicContact CB-CD2 4.43Å; F726-F732 HydrophobicContact CD1-CZ 4.2Å; F726-A757 HydrophobicContact CE2-CB 4.36Å; F726-I758 PolarHBondContact N-O 3.29Å; F726-L759 HydrophobicContact CB-CD2 3.8Å; F726-L759 HydrophobicContact CD2-CD2 4.02Å; F726-L759 HydrophobicContact CG-CD2 4.22Å; F726-I760 PolarHBondContact O-N 3.31Å
727	V	84.2	Confident	75.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	105.3	173.6	-175.6	0	0	0	0	108.1	V660 S661 W669 V670 F732 L762	V660-V727 HydrophobicContact CG1-CG2 3.85Å; S661-V727 PolarHBondContact O-N 3.36Å; W669-V727 HydrophobicContact CE3-CG1 4.38Å; W669-V727 HydrophobicContact CZ3-CG1 4.28Å; W669-V727 HydrophobicContact CZ3-CG2 4.38Å; V670-V727 HydrophobicContact CG2-CG2 4.49Å; V727-F732 WeakPolarHBondContact O-CD2 3.19Å; V727-F732 WeakPolarHBondContact O-CG 3.45Å; V727-L762 HydrophobicContact CG1-CD1 3.54Å; V727-L762 HydrophobicContact CG1-CD2 4.01Å; V727-L762 HydrophobicContact CG1-CG 3.59Å
728	L	80.4	Confident	74.7	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.3	-175.9	-60.7	178.6	0	0	0	110.4	F726 F732 L759 I760 L761 L762 L765 L777	F726-L728 HydrophobicContact CB-CD2 4.43Å; L728-F732 HydrophobicContact CD2-CD1 3.49Å; L728-F732 VanDerWaalsContact CD2-CD1 3.49Å; L728-F732 HydrophobicContact CD2-CE1 3.55Å; L728-F732 HydrophobicContact CD2-CG 4.43Å; L728-L759 HydrophobicContact CD1-CB 4.41Å; L728-L759 HydrophobicContact CD1-CD2 4.26Å; L728-I760 WeakPolarHBondContact CB-O 3.48Å; L728-I760 PolarHBondContact N-O 2.71Å; L728-L761 HydrophobicContact CB-CD1 3.93Å; L728-L761 HydrophobicContact CD1-CD1 4.45Å; L728-L762 PolarHBondContact O-N 2.77Å; L728-L765 HydrophobicContact CB-CD1 4.43Å; L728-L777 HydrophobicContact CD1-CD1 4.43Å
729	S	83.4	Confident	73.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.007	23%	0.228	C	C	.	.			trans	-149.2	173.5	177.2	68.3	0	0	0	0	108.6	D666 N731 F732 V733	D666-S729 WeakPolarHBondContact OD2-CB 3.33Å; D666-S729 PolarHBondContact OD2-OG 2.88Å; S729-N731 PolarHBondContact O-N 3.45Å; S729-N731 PolarHBondContact OG-N 2.9Å; S729-F732 PolarHBondContact O-N 3.14Å; S729-F732 WeakPolarHBondContact OG-CB 3.13Å; S729-F732 PolarHBondContact OG-N 3.49Å; S729-V733 WeakPolarHBondContact O-CG2 3.43Å; S729-V733 PolarHBondContact O-N 3.17Å
730	E	79.7	Confident	73	Confident	87 Å²	87	48.4 Å²	48.4	41%	0.407	21%	0.212	S	C	.	.	H	α-helix	trans	-62.9	-39.6	175	-164.8	-171.3	158.1	0	0	109.9	F732 V733 Q734 E763 L765	E730-F732 VanDerWaalsContact C-N 3.32Å; E730-F732 PolarHBondContact O-N 2.75Å; E730-V733 PolarHBondContact O-N 2.9Å; E730-Q734 WeakPolarHBondContact O-CG 3.44Å; E730-Q734 PolarHBondContact O-N 3.5Å; E730-Q734 VanDerWaalsContact O-N 3.11Å; E730-Q734 PolarHBondContact OE1-NE2 3.41Å; E730-E763 WeakPolarHBondContact CB-OE1 3.3Å; E730-E763 PolarHBondContact N-OE1 2.77Å; E730-L765 HydrophobicContact CB-CD2 4.1Å
731	N	79.7	Confident	71.9	Confident	50 Å²	50	45.8 Å²	45.8	27%	0.267	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-35	175.7	-70.1	-43.8	0	0	0	113.1	S663 R665 D666 S729 S735	S663-N731 PolarHBondContact OG-O 3.49Å; R665-N731 HydrophobicContact CB-CB 4.08Å; D666-N731 WeakPolarHBondContact OD1-CB 3.05Å; D666-N731 PolarHBondContact OD1-ND2 3.28Å; S729-N731 PolarHBondContact O-N 3.45Å; S729-N731 PolarHBondContact OG-N 2.9Å; N731-S735 WeakPolarHBondContact O-CB 3.41Å; N731-S735 PolarHBondContact O-N 3.3Å
732	F	77.6	Confident	70.4	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-67.7	-48.5	177.5	-175.4	-94.4	0	0	0	111.1	F726 V727 L728 S729 E730 Q734 S735 C738	F726-F732 HydrophobicContact CD1-CZ 4.2Å; V727-F732 WeakPolarHBondContact O-CD2 3.19Å; V727-F732 WeakPolarHBondContact O-CG 3.45Å; L728-F732 HydrophobicContact CD2-CD1 3.49Å; L728-F732 VanDerWaalsContact CD2-CD1 3.49Å; L728-F732 HydrophobicContact CD2-CE1 3.55Å; L728-F732 HydrophobicContact CD2-CG 4.43Å; S729-F732 PolarHBondContact O-N 3.14Å; S729-F732 WeakPolarHBondContact OG-CB 3.13Å; S729-F732 PolarHBondContact OG-N 3.49Å; E730-F732 VanDerWaalsContact C-N 3.32Å; E730-F732 PolarHBondContact O-N 2.75Å; F732-Q734 VanDerWaalsContact C-N 3.29Å; F732-Q734 PolarHBondContact O-N 3.17Å; F732-S735 PolarHBondContact O-N 3.13Å; F732-S735 PolarHBondContact O-OG 3.21Å; F732-C738 VanDerWaalsContact O-CB 3.3Å; F732-C738 WeakPolarHBondContact O-CB 3.44Å
733	V	72.1	Confident	69.2	Low	3 Å²	3	47.2 Å²	47.2	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-32.2	-178	176	0	0	0	0	112.5	S729 E730 L765 D769 V770 P771	S729-V733 WeakPolarHBondContact O-CG2 3.43Å; S729-V733 PolarHBondContact O-N 3.17Å; E730-V733 PolarHBondContact O-N 2.9Å; V733-L765 HydrophobicContact CG2-CD1 4.06Å; V733-D769 WeakPolarHBondContact CG1-O 3.5Å; V733-V770 HydrophobicContact CG1-CG2 4.41Å; V733-V770 HydrophobicContact CG2-CG2 4.46Å; V733-P771 HydrophobicContact CG1-CG 4.31Å
734	Q	68.4	Low	67.9	Low	118 Å²	118	46.7 Å²	46.7	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-84.2	-14.5	177.9	-66.7	179.7	11.8	0	0	114	E730 F732	E730-Q734 WeakPolarHBondContact O-CG 3.44Å; E730-Q734 PolarHBondContact O-N 3.5Å; E730-Q734 VanDerWaalsContact O-N 3.11Å; E730-Q734 PolarHBondContact OE1-NE2 3.41Å; F732-Q734 VanDerWaalsContact C-N 3.29Å; F732-Q734 PolarHBondContact O-N 3.17Å
735	S	67.8	Low	66.5	Low	23 Å²	23	46.7 Å²	46.7	16%	0.161	22%	0.221	C	C	.	.	S	Bend	trans	-75.3	158.6	-176.7	73.6	0	0	0	0	113.7	N731 F732 W737 C738	N731-S735 WeakPolarHBondContact O-CB 3.41Å; N731-S735 PolarHBondContact O-N 3.3Å; F732-S735 PolarHBondContact O-N 3.13Å; F732-S735 PolarHBondContact O-OG 3.21Å; S735-W737 PolarHBondContact O-N 3.05Å; S735-W737 WeakPolarHBondContact OG-CB 2.97Å; S735-W737 PolarHBondContact OG-N 3.29Å; S735-C738 PolarHBondContact O-N 3.45Å
736	D	57.3	Low	65.1	Low	101 Å²	101	53 Å²	53	54%	0.54	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-15.8	170.2	-75.7	-45.8	0	0	0	112.6	R739 Y740	D736-R739 WeakPolarHBondContact O-CA 3.05Å; D736-R739 WeakPolarHBondContact O-CB 3.4Å; D736-R739 PolarHBondContact O-N 3.3Å; D736-R739 VanDerWaalsContact O-N 3.08Å; D736-R739 WeakPolarHBondContact OD1-CD 3.4Å; D736-R739 IonicContact OD1-NH1 3.06Å; D736-R739 PolarHBondContact OD1-NH1 3.15Å; D736-Y740 WeakPolarHBondContact O-CD2 3.46Å; D736-Y740 PolarHBondContact O-N 3.21Å
737	W	57.9	Low	63.6	Low	50 Å²	50	59.3 Å²	59.3	19%	0.189	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-38.3	173.5	-92.3	93.1	0	0	0	112.9	H700 F704 I710 I714 S735 R739 Y740	H700-W737 HydrophobicContact CB-CH2 3.9Å; H700-W737 HydrophobicContact CB-CZ2 3.85Å; H700-W737 AromaticContact CG-CZ2 3.81Å; F704-W737 AromaticContact CE2-CH2 3.73Å; F704-W737 HydrophobicContact CE2-CH2 3.73Å; F704-W737 HydrophobicContact CE2-CZ2 4.14Å; F704-W737 AromaticContact CZ-CH2 3.93Å; F704-W737 HydrophobicContact CZ-CH2 3.93Å; I710-W737 HydrophobicContact CG2-CH2 4.35Å; I710-W737 HydrophobicContact CG2-CZ2 4.23Å; I714-W737 HydrophobicContact CD1-CE3 4.06Å; I714-W737 HydrophobicContact CD1-CH2 3.6Å; I714-W737 HydrophobicContact CD1-CZ3 3.26Å; I714-W737 HydrophobicContact CG1-CH2 3.63Å; I714-W737 HydrophobicContact CG1-CZ3 3.6Å; S735-W737 PolarHBondContact O-N 3.05Å; S735-W737 WeakPolarHBondContact OG-CB 2.97Å; S735-W737 PolarHBondContact OG-N 3.29Å; W737-R739 PolarHBondContact O-N 3.32Å; W737-Y740 PolarHBondContact O-N 2.69Å
738	C	54.7	Low	62.1	Low	0 Å²	0	65 Å²	65	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-19.7	170.3	-174.2	0	0	0	0	111.7	F732 S735 E741 F774	F732-C738 VanDerWaalsContact O-CB 3.3Å; F732-C738 WeakPolarHBondContact O-CB 3.44Å; S735-C738 PolarHBondContact O-N 3.45Å; C738-E741 WeakPolarHBondContact O-CB 3.39Å; C738-E741 PolarHBondContact O-N 2.99Å; C738-F774 HydrophobicContact CB-CZ 4.39Å; C738-F774 WeakPolarHBondContact O-CE1 3.32Å; C738-F774 WeakPolarHBondContact O-CZ 3.29Å; C738-F774 VanDerWaalsContact SG-CE2 3.55Å; C738-F774 WeakPolarHBondContact SG-CZ 3.27Å
739	R	55.3	Low	60.8	Low	152 Å²	152	66.4 Å²	66.4	57%	0.574	31%	0.306	S	S	*	.	H	α-helix	trans	-75.4	-31.2	179	-144.3	175.2	171.2	170.9	-3.6	113.3	D736 W737 E741	D736-R739 WeakPolarHBondContact O-CA 3.05Å; D736-R739 WeakPolarHBondContact O-CB 3.4Å; D736-R739 PolarHBondContact O-N 3.3Å; D736-R739 VanDerWaalsContact O-N 3.08Å; D736-R739 WeakPolarHBondContact OD1-CD 3.4Å; D736-R739 IonicContact OD1-NH1 3.06Å; D736-R739 PolarHBondContact OD1-NH1 3.15Å; W737-R739 PolarHBondContact O-N 3.32Å; R739-E741 VanDerWaalsContact C-N 3.3Å
740	Y	56.4	Low	59.3	Low	94 Å²	94	72 Å²	72	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-77.8	-13.2	175.2	-68.5	-66.1	0	0	0	113.6	M711 D736 W737 L742	M711-Y740 HydrophobicContact CG-CD1 4.23Å; M711-Y740 HydrophobicContact SD-CD1 3.73Å; M711-Y740 HydrophobicContact SD-CG 3.97Å; D736-Y740 WeakPolarHBondContact O-CD2 3.46Å; D736-Y740 PolarHBondContact O-N 3.21Å; W737-Y740 PolarHBondContact O-N 2.69Å; Y740-L742 VanDerWaalsContact C-N 3.35Å; Y740-L742 PolarHBondContact O-N 3.1Å
741	E	52.6	Low	57.7	Low	26 Å²	26	75.7 Å²	75.7	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-70.1	-23.9	-179	-158.9	-155.9	152.1	0	0	114	C738 R739 D743 F744 S745	C738-E741 WeakPolarHBondContact O-CB 3.39Å; C738-E741 PolarHBondContact O-N 2.99Å; R739-E741 VanDerWaalsContact C-N 3.3Å; E741-D743 VanDerWaalsContact C-N 3.32Å; E741-D743 PolarHBondContact O-N 3.08Å; E741-F744 WeakPolarHBondContact O-CB 3.24Å; E741-F744 PolarHBondContact O-N 3.19Å; E741-F744 VanDerWaalsContact O-N 3.12Å; E741-S745 WeakPolarHBondContact O-CB 3.35Å; E741-S745 PolarHBondContact O-N 2.88Å
742	L	49.8	Very low	56	Low	73 Å²	73	75.3 Å²	75.3	38%	0.382	35%	0.352	S	S	.	.	H	α-helix	trans	-65.5	-35.4	-178.8	-114.4	156.6	0	0	0	112.1	Y740 S745 F774	Y740-L742 VanDerWaalsContact C-N 3.35Å; Y740-L742 PolarHBondContact O-N 3.1Å; L742-S745 PolarHBondContact O-OG 3.15Å; L742-S745 VanDerWaalsContact O-OG 3.1Å; L742-F774 HydrophobicContact CD1-CD1 4.44Å; L742-F774 HydrophobicContact CD1-CE1 4.11Å; L742-F774 HydrophobicContact CG-CE1 4.43Å
743	D	51.7	Low	54.6	Low	120 Å²	120	78.2 Å²	78.2	64%	0.642	38%	0.383	S	S	*	.	H	α-helix	trans	-74.7	-29.9	173.6	-67.9	-31.5	0	0	0	111.8	M711 E741	M711-D743 HydrophobicContact CE-CB 4.19Å; E741-D743 VanDerWaalsContact C-N 3.32Å; E741-D743 PolarHBondContact O-N 3.08Å
744	F	54.2	Low	53.7	Low	36 Å²	36	81.1 Å²	81.1	16%	0.158	41%	0.413	C	S	.	.	H	α-helix	trans	-71.5	-39.9	178	-126.7	-83.6	0	0	0	113.3	M711 I714 M715 I718 E741 H746 F747 W748	M711-F744 HydrophobicContact CE-CD2 3.99Å; M711-F744 HydrophobicContact CE-CE2 4.43Å; I714-F744 HydrophobicContact CB-CE2 4.21Å; I714-F744 HydrophobicContact CG2-CD2 4.32Å; I714-F744 HydrophobicContact CG2-CE2 3.43Å; I714-F744 VanDerWaalsContact CG2-CE2 3.43Å; I714-F744 HydrophobicContact CG2-CZ 3.7Å; M715-F744 HydrophobicContact CG-CE2 4.18Å; M715-F744 HydrophobicContact CG-CZ 4.27Å; I718-F744 HydrophobicContact CD1-CD1 4.37Å; I718-F744 HydrophobicContact CD1-CE1 3.25Å; I718-F744 HydrophobicContact CD1-CE2 4.41Å; I718-F744 HydrophobicContact CD1-CZ 3.3Å; I718-F744 HydrophobicContact CG1-CZ 4.47Å; E741-F744 WeakPolarHBondContact O-CB 3.24Å; E741-F744 PolarHBondContact O-N 3.19Å; E741-F744 VanDerWaalsContact O-N 3.12Å; F744-H746 PolarHBondContact O-N 2.81Å; F744-F747 PolarHBondContact O-N 2.88Å; F744-W748 PolarHBondContact O-N 3.43Å
745	S	50.1	Low	53.1	Low	12 Å²	12	80.8 Å²	80.8	8%	0.084	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.7	-174	77.9	0	0	0	0	114.9	E741 L742 K776	E741-S745 WeakPolarHBondContact O-CB 3.35Å; E741-S745 PolarHBondContact O-N 2.88Å; L742-S745 PolarHBondContact O-OG 3.15Å; L742-S745 VanDerWaalsContact O-OG 3.1Å; S745-K776 PolarHBondContact O-NZ 3.1Å
746	H	52.9	Low	52.9	Low	134 Å²	134	81.4 Å²	81.4	62%	0.62	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.5	177.9	-98.2	-90.5	0	0	0	113.1	F744	F744-H746 PolarHBondContact O-N 2.81Å
747	F	48.9	Very low	53.6	Low	158 Å²	158	78.1 Å²	78.1	69%	0.693	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-31.7	-170.4	-92.3	-81.2	0	0	0	115.7	F744	F744-F747 PolarHBondContact O-N 2.88Å
748	W	54	Low	54.6	Low	119 Å²	119	76.6 Å²	76.6	45%	0.451	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-40.3	-167.8	-120.9	87.7	0	0	0	116	F744 F750 T756	F744-W748 PolarHBondContact O-N 3.43Å; W748-F750 PolarHBondContact O-N 3.16Å; W748-T756 HydrophobicContact CZ3-CG2 4.17Å; W748-T756 WeakPolarHBondContact CZ3-OG1 3.48Å
749	L	52.2	Low	55.8	Low	34 Å²	34	77.2 Å²	77.2	18%	0.178	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.6	-173	-91.3	150.1	0	0	0	115.3	A757 L780	L749-A757 HydrophobicContact CD2-CB 4.09Å; L749-L780 HydrophobicContact CD2-CD1 4.38Å
750	F	51.4	Low	57.2	Low	118 Å²	118	70 Å²	70	52%	0.518	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-3.6	-174.2	-68.3	-77.7	0	0	0	116.1	W748 K776 L780	W748-F750 PolarHBondContact O-N 3.16Å; F750-K776 HydrophobicContact CD2-CD 4.42Å; F750-K776 HydrophobicContact CE2-CB 4.2Å; F750-K776 HydrophobicContact CE2-CD 4.11Å; F750-K776 HydrophobicContact CE2-CG 4.36Å; F750-L780 HydrophobicContact CE2-CD1 4.21Å; F750-L780 HydrophobicContact CZ-CD1 3.72Å; F750-L780 HydrophobicContact CZ-CG 4.14Å
751	E	47.7	Very low	58.6	Low	164 Å²	164	66 Å²	66	77%	0.766	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-25.3	175.7	-77.8	-157.1	152.2	0	0	113.8
752	A	43.2	Very low	60.1	Low	43 Å²	43	65.8 Å²	65.8	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-102.9	130.4	168.1	0	0	0	0	0	108.4	G754	A752-G754 PolarHBondContact O-N 2.7Å
753	G	49	Very low	61.4	Low	65 Å²	65	65.7 Å²	65.7	67%	0.67	36%	0.358	S	S	*	.			trans	-42.3	131.7	-175.9	0	0	0	0	0	112.5	D755	G753-D755 PolarHBondContact O-N 2.78Å
754	G	52.2	Low	62.5	Low	64 Å²	64	64.8 Å²	64.8	66%	0.66	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	19.8	-161.2	0	0	0	0	0	118.6	A752	A752-G754 PolarHBondContact O-N 2.7Å
755	D	56.1	Low	63.4	Low	111 Å²	111	64.2 Å²	64.2	59%	0.594	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-13.5	-179.5	-69	-23	0	0	0	112.9	R723 G753	R723-D755 PolarHBondContact NH1-O 3.35Å; G753-D755 PolarHBondContact O-N 2.78Å
756	T	63.1	Low	64.2	Low	36 Å²	36	66.2 Å²	66.2	22%	0.221	37%	0.372	C	S	.	.	S	Bend	trans	-83	-16.1	-170.4	50.8	0	0	0	0	115.2	T724 W748	T724-T756 PolarHBondContact N-O 2.68Å; W748-T756 HydrophobicContact CZ3-CG2 4.17Å; W748-T756 WeakPolarHBondContact CZ3-OG1 3.48Å
757	A	72.9	Confident	64.7	Low	32 Å²	32	67.7 Å²	67.7	26%	0.264	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130	-179.1	0	0	0	0	0	111.9	T724 F726 L749	T724-A757 CarbonylContact O-C 3.59Å; T724-A757 WeakPolarHBondContact O-CA 2.99Å; F726-A757 HydrophobicContact CE2-CB 4.36Å; L749-A757 HydrophobicContact CD2-CB 4.09Å
758	I	78.4	Confident	65.4	Low	18 Å²	18	67.2 Å²	67.2	9%	0.092	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.5	177.9	-64.5	158.9	0	0	0	108.7	R723 T724 V725 F726 L787 L803 A806 L807	R723-I758 HydrophobicContact CB-CD1 4.48Å; T724-I758 PolarHBondContact O-N 3.17Å; V725-I758 CarbonylContact C-O 3.42Å; V725-I758 WeakPolarHBondContact CA-O 3.47Å; V725-I758 HydrophobicContact CG2-CB 4.31Å; V725-I758 HydrophobicContact CG2-CD1 4.46Å; F726-I758 PolarHBondContact N-O 3.29Å; I758-L787 HydrophobicContact CG2-CD1 4.24Å; I758-L803 HydrophobicContact CG2-CD1 3.93Å; I758-A806 HydrophobicContact CD1-CB 3.72Å; I758-A806 HydrophobicContact CG1-CB 4.14Å; I758-L807 HydrophobicContact CD1-CD2 3.7Å; I758-L807 HydrophobicContact CD1-CG 3.97Å
759	L	78.8	Confident	66	Low	13 Å²	13	64.6 Å²	64.6	7%	0.068	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.3	-179.8	-57.5	178	0	0	0	109.8	F726 L728 L780 Y786 L787	F726-L759 HydrophobicContact CB-CD2 3.8Å; F726-L759 HydrophobicContact CD2-CD2 4.02Å; F726-L759 HydrophobicContact CG-CD2 4.22Å; L728-L759 HydrophobicContact CD1-CB 4.41Å; L728-L759 HydrophobicContact CD1-CD2 4.26Å; L759-L780 HydrophobicContact CD1-CB 4.37Å; L759-Y786 CarbonylContact O-C 3.3Å; L759-Y786 WeakPolarHBondContact O-CA 3.44Å; L759-L787 PolarHBondContact O-N 3.08Å
760	I	86.1	Confident	66.7	Low	0 Å²	0	63.1 Å²	63.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.2	173	-61.6	174.8	0	0	0	108.4	W669 V725 F726 L728 L762 L787 F799 L803	W669-I760 HydrophobicContact CH2-CG2 4.35Å; V725-I760 HydrophobicContact CG1-CD1 3.49Å; V725-I760 VanDerWaalsContact CG1-CD1 3.49Å; V725-I760 HydrophobicContact CG1-CG1 3.99Å; F726-I760 PolarHBondContact O-N 3.31Å; L728-I760 WeakPolarHBondContact CB-O 3.48Å; L728-I760 PolarHBondContact N-O 2.71Å; I760-L762 HydrophobicContact CG2-CD2 4.41Å; I760-L787 CarbonylContact C-O 3.38Å; I760-L787 VanDerWaalsContact CA-O 3.26Å; I760-L787 WeakPolarHBondContact CA-O 3.19Å; I760-F799 HydrophobicContact CD1-CZ 4.25Å; I760-F799 HydrophobicContact CG1-CZ 4.35Å; I760-F799 HydrophobicContact CG2-CE2 4.15Å; I760-F799 HydrophobicContact CG2-CZ 3.77Å; I760-L803 HydrophobicContact CD1-CD1 3.86Å; I760-L803 HydrophobicContact CD1-CD2 3.82Å; I760-L803 HydrophobicContact CG1-CD1 4.32Å
761	L	84.6	Confident	67.4	Low	10 Å²	10	59.8 Å²	59.8	5%	0.052	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.8	177.7	-156.5	83.4	0	0	0	109.3	L728 E763 L765 M781 Y786 L787 W789	L728-L761 HydrophobicContact CB-CD1 3.93Å; L728-L761 HydrophobicContact CD1-CD1 4.45Å; L761-E763 WeakPolarHBondContact CD2-O 3.31Å; L761-E763 VanDerWaalsContact CG-O 3.28Å; L761-E763 WeakPolarHBondContact CG-O 3.44Å; L761-L765 HydrophobicContact CD1-CD1 3.88Å; L761-L765 HydrophobicContact CD1-CG 4.19Å; L761-M781 HydrophobicContact CD1-CE 4.38Å; L761-Y786 HydrophobicContact CB-CD2 4.09Å; L761-Y786 HydrophobicContact CD2-CD2 4.49Å; L761-Y786 HydrophobicContact CD2-CE2 4.15Å; L761-L787 PolarHBondContact N-O 3.23Å; L761-W789 WeakPolarHBondContact O-CB 3.36Å; L761-W789 PolarHBondContact O-N 2.86Å
762	L	84.6	Confident	68.3	Low	21 Å²	21	60.3 Å²	60.3	11%	0.11	36%	0.358	C	S	.	.	S	Bend	trans	-77.7	-31.7	-179.9	-67.4	-175.8	0	0	0	112.9	D666 W669 V727 L728 I760 W789	D666-L762 HydrophobicContact CB-CD1 4.19Å; W669-L762 HydrophobicContact CB-CD1 4.49Å; W669-L762 HydrophobicContact CD2-CD1 4.32Å; W669-L762 HydrophobicContact CD2-CD2 3.5Å; W669-L762 VanDerWaalsContact CD2-CD2 3.5Å; W669-L762 VanDerWaalsContact CE2-CD2 3.46Å; W669-L762 HydrophobicContact CE3-CD1 4.36Å; W669-L762 HydrophobicContact CE3-CD2 3.72Å; W669-L762 HydrophobicContact CG-CD1 4.36Å; W669-L762 HydrophobicContact CG-CD2 4.08Å; W669-L762 HydrophobicContact CH2-CD2 3.91Å; W669-L762 HydrophobicContact CZ2-CD2 3.7Å; W669-L762 HydrophobicContact CZ3-CD2 3.91Å; V727-L762 HydrophobicContact CG1-CD1 3.54Å; V727-L762 HydrophobicContact CG1-CD2 4.01Å; V727-L762 HydrophobicContact CG1-CG 3.59Å; L728-L762 PolarHBondContact O-N 2.77Å; I760-L762 HydrophobicContact CG2-CD2 4.41Å; L762-W789 HydrophobicContact CD2-CB 4.23Å; L762-W789 HydrophobicContact CD2-CG 4.42Å
763	E	78.3	Confident	69.1	Low	71 Å²	71	64.4 Å²	64.4	33%	0.332	36%	0.364	S	S	.	.	S	Bend	trans	-146.3	148	-178.5	65.2	-162	160.2	0	0	109.9	E730 L761 L765	E730-E763 WeakPolarHBondContact CB-OE1 3.3Å; E730-E763 PolarHBondContact N-OE1 2.77Å; L761-E763 WeakPolarHBondContact CD2-O 3.31Å; L761-E763 VanDerWaalsContact CG-O 3.28Å; L761-E763 WeakPolarHBondContact CG-O 3.44Å; E763-L765 HydrophobicContact CG-CD2 4.42Å; E763-L765 PolarHBondContact O-N 2.8Å; E763-L765 VanDerWaalsContact O-N 3.07Å
764	P	74.6	Confident	69.8	Low	101 Å²	101	61.9 Å²	61.9	66%	0.656	34%	0.335	S	S	*	.			trans	-64.9	112.5	-179.3	24.3	-32.3	0	0	0	110.9
765	L	71.5	Confident	70.3	Confident	25 Å²	25	62.4 Å²	62.4	13%	0.131	33%	0.328	C	S	.	.			trans	-88.3	126.6	177.4	-66.5	175.9	0	0	0	111	L728 E730 V733 L761 E763 M781	L728-L765 HydrophobicContact CB-CD1 4.43Å; E730-L765 HydrophobicContact CB-CD2 4.1Å; V733-L765 HydrophobicContact CG2-CD1 4.06Å; L761-L765 HydrophobicContact CD1-CD1 3.88Å; L761-L765 HydrophobicContact CD1-CG 4.19Å; E763-L765 HydrophobicContact CG-CD2 4.42Å; E763-L765 PolarHBondContact O-N 2.8Å; E763-L765 VanDerWaalsContact O-N 3.07Å; L765-M781 HydrophobicContact CB-CE 3.82Å; L765-M781 HydrophobicContact CD1-CE 4.17Å
766	S	67.4	Low	70.5	Confident	54 Å²	54	60.8 Å²	60.8	38%	0.378	32%	0.316	S	S	.	.			trans	-73.8	156.5	172.3	90.9	0	0	0	0	110.7	D768 D769	S766-D768 PolarHBondContact O-N 2.9Å; S766-D768 VanDerWaalsContact O-N 3.1Å; S766-D768 PolarHBondContact OG-N 3.18Å; S766-D769 WeakPolarHBondContact CA-OD2 3.36Å; S766-D769 WeakPolarHBondContact CB-OD2 3.12Å; S766-D769 PolarHBondContact N-OD2 3.41Å; S766-D769 PolarHBondContact O-N 2.8Å; S766-D769 VanDerWaalsContact O-N 3.12Å; S766-D769 PolarHBondContact OG-N 2.79Å; S766-D769 PolarHBondContact OG-OD1 3.18Å; S766-D769 PolarHBondContact OG-OD2 3Å
767	K	63.1	Low	70.7	Confident	165 Å²	165	59.5 Å²	59.5	72%	0.717	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.1	-179.7	-72.6	-178.5	-179.5	173.9	0	113.6
768	D	63.8	Low	70.3	Confident	147 Å²	147	63.3 Å²	63.3	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-17.4	-179.4	-67.1	-38.8	0	0	0	112.6	S766 V770	S766-D768 PolarHBondContact O-N 2.9Å; S766-D768 VanDerWaalsContact O-N 3.1Å; S766-D768 PolarHBondContact OG-N 3.18Å; D768-V770 VanDerWaalsContact C-N 3.27Å; D768-V770 PolarHBondContact O-N 2.97Å
769	D	66.1	Low	69.7	Low	64 Å²	64	69.7 Å²	69.7	34%	0.342	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20	177.3	-55.8	-36	0	0	0	112	V733 S766 P771	V733-D769 WeakPolarHBondContact CG1-O 3.5Å; S766-D769 WeakPolarHBondContact CA-OD2 3.36Å; S766-D769 WeakPolarHBondContact CB-OD2 3.12Å; S766-D769 PolarHBondContact N-OD2 3.41Å; S766-D769 PolarHBondContact O-N 2.8Å; S766-D769 VanDerWaalsContact O-N 3.12Å; S766-D769 PolarHBondContact OG-N 2.79Å; S766-D769 PolarHBondContact OG-OD1 3.18Å; S766-D769 PolarHBondContact OG-OD2 3Å; D769-P771 WeakPolarHBondContact O-CD 3.39Å
770	V	67.8	Low	69	Low	4 Å²	4	70.8 Å²	70.8	2%	0.024	35%	0.348	C	S	.	.	S	Bend	trans	-90.1	113.6	174.1	-176	0	0	0	0	110.4	V733 D768 K772 F774 L777 M781	V733-V770 HydrophobicContact CG1-CG2 4.41Å; V733-V770 HydrophobicContact CG2-CG2 4.46Å; D768-V770 VanDerWaalsContact C-N 3.27Å; D768-V770 PolarHBondContact O-N 2.97Å; V770-K772 PolarHBondContact O-N 3.44Å; V770-F774 HydrophobicContact CG1-CB 3.95Å; V770-F774 HydrophobicContact CG1-CD2 4.46Å; V770-L777 HydrophobicContact CG1-CD2 4.42Å; V770-M781 HydrophobicContact CG2-CE 4.35Å; V770-M781 HydrophobicContact CG2-SD 3.82Å
771	P	66.7	Low	67.9	Low	47 Å²	47	72.9 Å²	72.9	31%	0.305	36%	0.358	S	S	.	.			trans	-54.1	138	-177.6	-28.5	34.5	0	0	0	112.9	V733 D769 R773 F774	V733-P771 HydrophobicContact CG1-CG 4.31Å; D769-P771 WeakPolarHBondContact O-CD 3.39Å; P771-R773 HydrophobicContact CB-CG 4.1Å; P771-R773 PolarHBondContact O-N 2.9Å; P771-F774 HydrophobicContact CB-CD2 3.77Å; P771-F774 HydrophobicContact CB-CE2 3.9Å; P771-F774 HydrophobicContact CG-CD2 4.02Å; P771-F774 HydrophobicContact CG-CE2 3.9Å; P771-F774 WeakPolarHBondContact O-CD2 3.28Å; P771-F774 PolarHBondContact O-N 3.22Å
772	K	66	Low	66.8	Low	175 Å²	175	76.3 Å²	76.3	76%	0.761	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-21.4	-175.5	-69.3	-177.5	-180	176.5	0	115.1	V770 F774 C775	V770-K772 PolarHBondContact O-N 3.44Å; K772-F774 PolarHBondContact O-N 3.39Å; K772-C775 PolarHBondContact O-SG 3Å; K772-C775 VanDerWaalsContact O-SG 3.38Å
773	R	60.5	Low	65.6	Low	130 Å²	130	77.8 Å²	77.8	49%	0.491	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.7	175.1	65.2	-177.1	-178.9	-167.5	-1.2	113.8	P771 C775	P771-R773 HydrophobicContact CB-CG 4.1Å; P771-R773 PolarHBondContact O-N 2.9Å; R773-C775 PolarHBondContact O-N 3.44Å
774	F	63.9	Low	64.6	Low	11 Å²	11	80.2 Å²	80.2	5%	0.048	41%	0.414	C	S	.	.			trans	-97.2	53.7	-176.9	-57.6	-66.9	0	0	0	112.7	C738 L742 V770 P771 K772 K776 L777 R778	C738-F774 HydrophobicContact CB-CZ 4.39Å; C738-F774 WeakPolarHBondContact O-CE1 3.32Å; C738-F774 WeakPolarHBondContact O-CZ 3.29Å; C738-F774 VanDerWaalsContact SG-CE2 3.55Å; C738-F774 WeakPolarHBondContact SG-CZ 3.27Å; L742-F774 HydrophobicContact CD1-CD1 4.44Å; L742-F774 HydrophobicContact CD1-CE1 4.11Å; L742-F774 HydrophobicContact CG-CE1 4.43Å; V770-F774 HydrophobicContact CG1-CB 3.95Å; V770-F774 HydrophobicContact CG1-CD2 4.46Å; P771-F774 HydrophobicContact CB-CD2 3.77Å; P771-F774 HydrophobicContact CB-CE2 3.9Å; P771-F774 HydrophobicContact CG-CD2 4.02Å; P771-F774 HydrophobicContact CG-CE2 3.9Å; P771-F774 WeakPolarHBondContact O-CD2 3.28Å; P771-F774 PolarHBondContact O-N 3.22Å; K772-F774 PolarHBondContact O-N 3.39Å; F774-K776 VanDerWaalsContact C-N 3.27Å; F774-K776 PolarHBondContact O-N 3.41Å; F774-L777 HydrophobicContact CB-CB 4.28Å; F774-L777 PolarHBondContact O-N 3.3Å; F774-R778 WeakPolarHBondContact O-CB 3.19Å; F774-R778 PolarHBondContact O-N 3.19Å; F774-R778 VanDerWaalsContact O-N 3.08Å
775	C	62.1	Low	64.3	Low	76 Å²	76	79.8 Å²	79.8	51%	0.514	41%	0.41	S	S	.	.	H	α-helix	trans	-58.4	-33.4	-177.1	-74.2	0	0	0	0	114.2	K772 R773 K779	K772-C775 PolarHBondContact O-SG 3Å; K772-C775 VanDerWaalsContact O-SG 3.38Å; R773-C775 PolarHBondContact O-N 3.44Å; C775-K779 PolarHBondContact O-N 3.34Å
776	K	60.8	Low	64.5	Low	77 Å²	77	83 Å²	83	34%	0.335	42%	0.421	S	S	.	.	H	α-helix	trans	-73.4	-45.9	-179.6	-71.4	177.9	179.6	171.2	0	112.1	S745 F750 F774 R778 K779 L780	S745-K776 PolarHBondContact O-NZ 3.1Å; F750-K776 HydrophobicContact CD2-CD 4.42Å; F750-K776 HydrophobicContact CE2-CB 4.2Å; F750-K776 HydrophobicContact CE2-CD 4.11Å; F750-K776 HydrophobicContact CE2-CG 4.36Å; F774-K776 VanDerWaalsContact C-N 3.27Å; F774-K776 PolarHBondContact O-N 3.41Å; K776-R778 VanDerWaalsContact C-N 3.31Å; K776-R778 PolarHBondContact O-N 3.42Å; K776-K779 WeakPolarHBondContact O-CB 3.49Å; K776-K779 PolarHBondContact O-N 2.92Å; K776-K779 VanDerWaalsContact O-N 3.07Å; K776-L780 PolarHBondContact O-N 2.92Å
777	L	65.8	Low	65.3	Low	9 Å²	9	82.3 Å²	82.3	5%	0.047	41%	0.413	C	S	.	.	H	α-helix	trans	-60.9	-41.7	174.5	-174.4	64.9	0	0	0	111	L728 V770 F774 K779 L780 M781	L728-L777 HydrophobicContact CD1-CD1 4.43Å; V770-L777 HydrophobicContact CG1-CD2 4.42Å; F774-L777 HydrophobicContact CB-CB 4.28Å; F774-L777 PolarHBondContact O-N 3.3Å; L777-K779 PolarHBondContact O-N 3.36Å; L777-L780 WeakPolarHBondContact O-CB 3.19Å; L777-L780 PolarHBondContact O-N 3.29Å; L777-L780 VanDerWaalsContact O-N 3.1Å; L777-M781 WeakPolarHBondContact O-CG 2.92Å; L777-M781 PolarHBondContact O-N 3.21Å
778	R	66.1	Low	66.3	Low	112 Å²	112	79.3 Å²	79.3	42%	0.423	40%	0.402	S	S	.	.	H	α-helix	trans	-62.6	-28.1	174.7	-161.4	175.3	64.6	168.7	0.1	113.4	F774 K776	F774-R778 WeakPolarHBondContact O-CB 3.19Å; F774-R778 PolarHBondContact O-N 3.19Å; F774-R778 VanDerWaalsContact O-N 3.08Å; K776-R778 VanDerWaalsContact C-N 3.31Å; K776-R778 PolarHBondContact O-N 3.42Å
779	K	65.1	Low	67.3	Low	152 Å²	152	73.2 Å²	73.2	66%	0.661	37%	0.368	S	S	*	.	H	α-helix	trans	-75.1	-39.9	172.9	-168	179.8	178.7	-175.6	0	111.4	C775 K776 L777 S782	C775-K779 PolarHBondContact O-N 3.34Å; K776-K779 WeakPolarHBondContact O-CB 3.49Å; K776-K779 PolarHBondContact O-N 2.92Å; K776-K779 VanDerWaalsContact O-N 3.07Å; L777-K779 PolarHBondContact O-N 3.36Å; K779-S782 PolarHBondContact O-N 3.3Å; K779-S782 PolarHBondContact O-OG 3.15Å
780	L	63.5	Low	68.1	Low	36 Å²	36	71.2 Å²	71.2	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-66.1	-38.5	175	-86.5	150.9	0	0	0	112.9	L749 F750 L759 K776 L777 S782 S783	L749-L780 HydrophobicContact CD2-CD1 4.38Å; F750-L780 HydrophobicContact CE2-CD1 4.21Å; F750-L780 HydrophobicContact CZ-CD1 3.72Å; F750-L780 HydrophobicContact CZ-CG 4.14Å; L759-L780 HydrophobicContact CD1-CB 4.37Å; K776-L780 PolarHBondContact O-N 2.92Å; L777-L780 WeakPolarHBondContact O-CB 3.19Å; L777-L780 PolarHBondContact O-N 3.29Å; L777-L780 VanDerWaalsContact O-N 3.1Å; L780-S782 PolarHBondContact O-N 2.97Å; L780-S783 PolarHBondContact O-N 3.5Å; L780-S783 VanDerWaalsContact O-N 3.13Å; L780-S783 PolarHBondContact O-OG 2.92Å
781	M	63.1	Low	68.6	Low	44 Å²	44	77.7 Å²	77.7	22%	0.217	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.3	173.7	-67.9	177.5	74.9	0	0	112.7	L761 L765 V770 L777	L761-M781 HydrophobicContact CD1-CE 4.38Å; L765-M781 HydrophobicContact CB-CE 3.82Å; L765-M781 HydrophobicContact CD1-CE 4.17Å; V770-M781 HydrophobicContact CG2-CE 4.35Å; V770-M781 HydrophobicContact CG2-SD 3.82Å; L777-M781 WeakPolarHBondContact O-CG 2.92Å; L777-M781 PolarHBondContact O-N 3.21Å
782	S	62.2	Low	69.2	Low	81 Å²	81	80.5 Å²	80.5	57%	0.566	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-10	175.5	73.5	0	0	0	0	114.5	K779 L780	K779-S782 PolarHBondContact O-N 3.3Å; K779-S782 PolarHBondContact O-OG 3.15Å; L780-S782 PolarHBondContact O-N 2.97Å
783	S	59.7	Low	69.6	Low	53 Å²	53	78.8 Å²	78.8	37%	0.371	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.7	-177.3	48.4	0	0	0	0	115.6	L780 T785	L780-S783 PolarHBondContact O-N 3.5Å; L780-S783 VanDerWaalsContact O-N 3.13Å; L780-S783 PolarHBondContact O-OG 2.92Å; S783-T785 PolarHBondContact O-N 3.41Å
784	T	57.9	Low	70.3	Confident	121 Å²	121	81.1 Å²	81.1	74%	0.742	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	15.1	173.9	52.7	0	0	0	0	116.7	Y786	T784-Y786 PolarHBondContact O-N 2.88Å
785	T	66.4	Low	70.9	Confident	93 Å²	93	87.2 Å²	87.2	57%	0.571	43%	0.431	S	S	*	.			trans	-100	57.8	-179.4	49.7	0	0	0	0	111.9	S783	S783-T785 PolarHBondContact O-N 3.41Å
786	Y	77	Confident	71.9	Confident	91 Å²	91	86.1 Å²	86.1	36%	0.357	42%	0.416	S	S	.	.			trans	-136	155.8	174.4	61.5	-94.9	0	0	0	111.2	L759 L761 T784 E788	L759-Y786 CarbonylContact O-C 3.3Å; L759-Y786 WeakPolarHBondContact O-CA 3.44Å; L761-Y786 HydrophobicContact CB-CD2 4.09Å; L761-Y786 HydrophobicContact CD2-CD2 4.49Å; L761-Y786 HydrophobicContact CD2-CE2 4.15Å; T784-Y786 PolarHBondContact O-N 2.88Å; Y786-E788 HydrophobicContact CD2-CB 4.41Å; Y786-E788 HydrophobicContact CE2-CB 4.22Å
787	L	83.8	Confident	72.8	Confident	41 Å²	41	86 Å²	86	22%	0.215	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.8	173.9	-65.7	170.8	0	0	0	109	I758 L759 I760 L761 F799 L803	I758-L787 HydrophobicContact CG2-CD1 4.24Å; L759-L787 PolarHBondContact O-N 3.08Å; I760-L787 CarbonylContact C-O 3.38Å; I760-L787 VanDerWaalsContact CA-O 3.26Å; I760-L787 WeakPolarHBondContact CA-O 3.19Å; L761-L787 PolarHBondContact N-O 3.23Å; L787-F799 HydrophobicContact CB-CD2 4.16Å; L787-F799 HydrophobicContact CB-CE2 3.68Å; L787-L803 HydrophobicContact CD1-CB 3.92Å; L787-L803 HydrophobicContact CD1-CD1 3.8Å; L787-L803 HydrophobicContact CD1-CG 4.47Å
788	E	83.8	Confident	73.4	Confident	101 Å²	101	91.2 Å²	91.2	47%	0.472	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.9	178.9	-169.3	174.1	-175.1	0	0	110.9	Y786 P790 F799	Y786-E788 HydrophobicContact CD2-CB 4.41Å; Y786-E788 HydrophobicContact CE2-CB 4.22Å; E788-P790 WeakPolarHBondContact O-CD 3.43Å; E788-F799 VanDerWaalsContact O-CD2 3.25Å; E788-F799 WeakPolarHBondContact O-CD2 3.05Å
789	W	85.5	Confident	74.4	Confident	20 Å²	20	86.5 Å²	86.5	8%	0.076	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-72.1	117.4	176.9	-180	-112.6	0	0	0	110.6	W669 L761 L762 R796 F799 W800	W669-W789 AromaticContact CZ2-CD2 3.77Å; W669-W789 HydrophobicContact CZ2-CD2 3.77Å; W669-W789 AromaticContact CZ2-CE3 3.52Å; W669-W789 HydrophobicContact CZ2-CE3 3.52Å; W669-W789 HydrophobicContact CZ2-CG 4.39Å; W669-W789 HydrophobicContact CZ2-CH2 4.16Å; W669-W789 HydrophobicContact CZ2-CZ2 4.41Å; W669-W789 AromaticContact CZ2-CZ3 3.73Å; W669-W789 HydrophobicContact CZ2-CZ3 3.73Å; W669-W789 AromaticContact NE1-CD2 3.7Å; W669-W789 AromaticContact NE1-CE2 3.33Å; W669-W789 VanDerWaalsContact NE1-CE2 3.33Å; W669-W789 AromaticContact NE1-CZ2 3.54Å; W669-W789 AromaticContact NE1-NE1 3.61Å; L761-W789 WeakPolarHBondContact O-CB 3.36Å; L761-W789 PolarHBondContact O-N 2.86Å; L762-W789 HydrophobicContact CD2-CB 4.23Å; L762-W789 HydrophobicContact CD2-CG 4.42Å; W789-R796 HydrophobicContact CH2-CG 4.1Å; W789-R796 HydrophobicContact CZ2-CG 4.28Å; W789-F799 AromaticContact CE3-CD1 3.67Å; W789-F799 HydrophobicContact CE3-CD1 3.67Å; W789-F799 HydrophobicContact CE3-CD2 4.48Å; W789-F799 AromaticContact CE3-CE1 3.56Å; W789-F799 HydrophobicContact CE3-CE1 3.56Å; W789-F799 HydrophobicContact CE3-CE2 4.37Å; W789-F799 HydrophobicContact CE3-CG 4.15Å; W789-F799 AromaticContact CE3-CZ 3.94Å; W789-F799 HydrophobicContact CE3-CZ 3.94Å; W789-F799 AromaticContact CZ3-CD1 3.62Å; W789-F799 HydrophobicContact CZ3-CD1 3.62Å; W789-F799 AromaticContact CZ3-CE1 3.68Å; W789-F799 HydrophobicContact CZ3-CE1 3.68Å; W789-F799 HydrophobicContact CZ3-CG 4.4Å; W789-F799 HydrophobicContact CZ3-CZ 4.49Å; W789-W800 HydrophobicContact CH2-CH2 4.33Å; W789-W800 AromaticContact CH2-CZ2 3.52Å; W789-W800 HydrophobicContact CH2-CZ2 3.52Å; W789-W800 AromaticContact CZ3-CE2 3.75Å; W789-W800 AromaticContact CZ3-CH2 3.88Å; W789-W800 HydrophobicContact CZ3-CH2 3.88Å; W789-W800 AromaticContact CZ3-CZ2 3.36Å; W789-W800 HydrophobicContact CZ3-CZ2 3.36Å
790	P	83.3	Confident	75.4	Confident	22 Å²	22	80.3 Å²	80.3	14%	0.143	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-75.2	132	-176.5	27.9	-30.9	0	0	0	111.4	E788 E792 R795 R796 F799	E788-P790 WeakPolarHBondContact O-CD 3.43Å; P790-E792 VanDerWaalsContact C-N 3.31Å; P790-R795 HydrophobicContact CB-CB 3.76Å; P790-R795 HydrophobicContact CG-CB 4.1Å; P790-R796 HydrophobicContact CG-CB 4.46Å; P790-R796 HydrophobicContact CG-CG 3.87Å; P790-F799 HydrophobicContact CG-CB 4.16Å
791	Q	77.1	Confident	76.2	Confident	140 Å²	140	85.6 Å²	85.6	65%	0.654	42%	0.42	S	S	*	.	S	Bend	trans	-72	-27.7	174.5	-60.2	-60.4	-35.2	0	0	112
792	E	79.7	Confident	77.1	Confident	105 Å²	105	86.2 Å²	86.2	49%	0.491	43%	0.428	S	S	.	.	S	Bend	trans	-81.6	124.3	175.3	-65.2	170.5	-171	0	0	110.6	P790 E794 R795	P790-E792 VanDerWaalsContact C-N 3.31Å; E792-E794 PolarHBondContact O-N 2.82Å; E792-R795 PolarHBondContact O-N 3.13Å; E792-R795 IonicContact OE1-NH2 3.87Å; E792-R795 IonicContact OE2-CZ 3.51Å; E792-R795 VanDerWaalsContact OE2-CZ 3.23Å; E792-R795 IonicContact OE2-NE 3.89Å; E792-R795 PolarHBondContact OE2-NE 3.49Å; E792-R795 IonicContact OE2-NH2 2.88Å; E792-R795 PolarHBondContact OE2-NH2 2.97Å
793	E	74.8	Confident	78.2	Confident	139 Å²	139	82.4 Å²	82.4	65%	0.65	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-62.4	-30.3	-177.7	-56.3	-154.6	130	0	0	113.1	R795 R796	E793-R795 PolarHBondContact O-N 3.36Å; E793-R796 PolarHBondContact O-N 3.31Å; E793-R796 IonicContact OE1-CZ 2.8Å; E793-R796 IonicContact OE1-NH1 3.23Å; E793-R796 PolarHBondContact OE1-NH1 3.35Å; E793-R796 IonicContact OE1-NH2 3.51Å
794	E	74.3	Confident	79.2	Confident	180 Å²	180	82.1 Å²	82.1	84%	0.841	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-63.2	-23.8	-180	-63.3	-175.6	177.6	0	0	113.3	E792	E792-E794 PolarHBondContact O-N 2.82Å
795	R	77.4	Confident	80.2	Confident	139 Å²	139	80.4 Å²	80.4	53%	0.525	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-95.9	-8.7	-179.2	-60.7	-169	-160.5	-167.9	6.8	114.3	P790 E792 E793 P797 E798 F799	P790-R795 HydrophobicContact CB-CB 3.76Å; P790-R795 HydrophobicContact CG-CB 4.1Å; E792-R795 PolarHBondContact O-N 3.13Å; E792-R795 IonicContact OE1-NH2 3.87Å; E792-R795 IonicContact OE2-CZ 3.51Å; E792-R795 VanDerWaalsContact OE2-CZ 3.23Å; E792-R795 IonicContact OE2-NE 3.89Å; E792-R795 PolarHBondContact OE2-NE 3.49Å; E792-R795 IonicContact OE2-NH2 2.88Å; E792-R795 PolarHBondContact OE2-NH2 2.97Å; E793-R795 PolarHBondContact O-N 3.36Å; R795-P797 VanDerWaalsContact C-CD 3.42Å; R795-E798 PolarHBondContact O-N 2.86Å; R795-F799 PolarHBondContact O-N 2.91Å
796	R	82.1	Confident	80.7	Confident	53 Å²	53	77.5 Å²	77.5	20%	0.2	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-37.2	178.8	-68	-179.9	-175.5	159.9	7.4	113.9	W789 P790 E793 E798 F799 W800	W789-R796 HydrophobicContact CH2-CG 4.1Å; W789-R796 HydrophobicContact CZ2-CG 4.28Å; P790-R796 HydrophobicContact CG-CB 4.46Å; P790-R796 HydrophobicContact CG-CG 3.87Å; E793-R796 PolarHBondContact O-N 3.31Å; E793-R796 IonicContact OE1-CZ 2.8Å; E793-R796 IonicContact OE1-NH1 3.23Å; E793-R796 PolarHBondContact OE1-NH1 3.35Å; E793-R796 IonicContact OE1-NH2 3.51Å; R796-E798 VanDerWaalsContact C-N 3.27Å; R796-E798 PolarHBondContact O-N 3.01Å; R796-F799 WeakPolarHBondContact O-CB 3.37Å; R796-F799 PolarHBondContact O-N 2.82Å; R796-W800 PolarHBondContact O-N 3.08Å; R796-W800 VanDerWaalsContact O-N 3.09Å
797	P	79.3	Confident	80.7	Confident	73 Å²	73	73.6 Å²	73.6	47%	0.474	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-32.7	177.1	-24.1	34.8	0	0	0	113.8	R795 R801	R795-P797 VanDerWaalsContact C-CD 3.42Å; P797-R801 PolarHBondContact O-N 2.96Å; P797-R801 VanDerWaalsContact O-N 3.13Å
798	E	80	Confident	80.3	Confident	119 Å²	119	75.9 Å²	75.9	56%	0.556	36%	0.355	S	S	*	.	H	α-helix	trans	-73.8	-38	178.2	-64.6	-174.3	163.4	0	0	112.1	R795 R796 R801 S802	R795-E798 PolarHBondContact O-N 2.86Å; R796-E798 VanDerWaalsContact C-N 3.27Å; R796-E798 PolarHBondContact O-N 3.01Å; E798-R801 PolarHBondContact O-N 3.3Å; E798-S802 WeakPolarHBondContact O-CB 3Å; E798-S802 PolarHBondContact O-N 2.04Å; E798-S802 PolarHBondContact O-OG 2.96Å
799	F	87.2	Confident	79.3	Confident	13 Å²	13	72.5 Å²	72.5	6%	0.057	35%	0.347	C	S	.	.	H	α-helix	trans	-58.6	-49.4	171.8	172.2	-90.7	0	0	0	110.9	I760 L787 E788 W789 P790 R795 R796 R801 S802 L803	I760-F799 HydrophobicContact CD1-CZ 4.25Å; I760-F799 HydrophobicContact CG1-CZ 4.35Å; I760-F799 HydrophobicContact CG2-CE2 4.15Å; I760-F799 HydrophobicContact CG2-CZ 3.77Å; L787-F799 HydrophobicContact CB-CD2 4.16Å; L787-F799 HydrophobicContact CB-CE2 3.68Å; E788-F799 VanDerWaalsContact O-CD2 3.25Å; E788-F799 WeakPolarHBondContact O-CD2 3.05Å; W789-F799 AromaticContact CE3-CD1 3.67Å; W789-F799 HydrophobicContact CE3-CD1 3.67Å; W789-F799 HydrophobicContact CE3-CD2 4.48Å; W789-F799 AromaticContact CE3-CE1 3.56Å; W789-F799 HydrophobicContact CE3-CE1 3.56Å; W789-F799 HydrophobicContact CE3-CE2 4.37Å; W789-F799 HydrophobicContact CE3-CG 4.15Å; W789-F799 AromaticContact CE3-CZ 3.94Å; W789-F799 HydrophobicContact CE3-CZ 3.94Å; W789-F799 AromaticContact CZ3-CD1 3.62Å; W789-F799 HydrophobicContact CZ3-CD1 3.62Å; W789-F799 AromaticContact CZ3-CE1 3.68Å; W789-F799 HydrophobicContact CZ3-CE1 3.68Å; W789-F799 HydrophobicContact CZ3-CG 4.4Å; W789-F799 HydrophobicContact CZ3-CZ 4.49Å; P790-F799 HydrophobicContact CG-CB 4.16Å; R795-F799 PolarHBondContact O-N 2.91Å; R796-F799 WeakPolarHBondContact O-CB 3.37Å; R796-F799 PolarHBondContact O-N 2.82Å; F799-R801 PolarHBondContact O-N 3.31Å; F799-S802 PolarHBondContact O-N 2.89Å; F799-L803 HydrophobicContact CE1-CD2 4.19Å; F799-L803 HydrophobicContact CZ-CD2 4.45Å; F799-L803 PolarHBondContact O-N 3.43Å
800	W	86.2	Confident	77.4	Confident	22 Å²	22	77.9 Å²	77.9	8%	0.083	38%	0.377	C	S	.	.	H	α-helix	trans	-64.6	-38.2	-179.1	-67	131.2	0	0	0	113.2	W669 F673 L674 E677 W789 R796 L803 R804	W669-W800 HydrophobicContact CH2-CH2 4.19Å; W669-W800 HydrophobicContact CZ2-CH2 4.15Å; F673-W800 HydrophobicContact CB-CZ2 4.27Å; L674-W800 HydrophobicContact CD1-CH2 4.04Å; L674-W800 HydrophobicContact CD1-CZ3 3.67Å; E677-W800 HydrophobicContact CB-CD2 4.26Å; E677-W800 HydrophobicContact CB-CE3 4.34Å; E677-W800 HydrophobicContact CB-CH2 4.39Å; E677-W800 HydrophobicContact CB-CZ2 4.26Å; E677-W800 HydrophobicContact CB-CZ3 4.43Å; E677-W800 HydrophobicContact CG-CD2 4.25Å; E677-W800 HydrophobicContact CG-CH2 4.46Å; E677-W800 HydrophobicContact CG-CZ2 3.86Å; W789-W800 HydrophobicContact CH2-CH2 4.33Å; W789-W800 AromaticContact CH2-CZ2 3.52Å; W789-W800 HydrophobicContact CH2-CZ2 3.52Å; W789-W800 AromaticContact CZ3-CE2 3.75Å; W789-W800 AromaticContact CZ3-CH2 3.88Å; W789-W800 HydrophobicContact CZ3-CH2 3.88Å; W789-W800 AromaticContact CZ3-CZ2 3.36Å; W789-W800 HydrophobicContact CZ3-CZ2 3.36Å; R796-W800 PolarHBondContact O-N 3.08Å; R796-W800 VanDerWaalsContact O-N 3.09Å; W800-L803 HydrophobicContact CE3-CD2 3.96Å; W800-L803 HydrophobicContact CZ3-CD2 3.77Å; W800-L803 PolarHBondContact O-N 3.37Å; W800-R804 WeakPolarHBondContact O-CB 3.32Å; W800-R804 PolarHBondContact O-N 3.47Å
801	R	79.4	Confident	75.2	Confident	148 Å²	148	82.9 Å²	82.9	56%	0.558	40%	0.403	S	S	*	.	H	α-helix	trans	-62.3	-45.3	174.5	-167.7	-176	-60.3	119.9	2.1	111.4	P797 E798 F799 R804 N805	P797-R801 PolarHBondContact O-N 2.96Å; P797-R801 VanDerWaalsContact O-N 3.13Å; E798-R801 PolarHBondContact O-N 3.3Å; F799-R801 PolarHBondContact O-N 3.31Å; R801-R804 PolarHBondContact O-N 3.22Å; R801-N805 VanDerWaalsContact O-CG 3.29Å; R801-N805 PolarHBondContact O-N 3.27Å; R801-N805 VanDerWaalsContact O-N 3.08Å; R801-N805 PolarHBondContact O-OD1 3.1Å
802	S	81.7	Confident	73	Confident	56 Å²	56	87.8 Å²	87.8	39%	0.392	43%	0.434	S	S	.	.	H	α-helix	trans	-64.8	-42.1	179.2	-56.5	0	0	0	0	112	E798 F799 N805 A806	E798-S802 WeakPolarHBondContact O-CB 3Å; E798-S802 PolarHBondContact O-N 2.04Å; E798-S802 PolarHBondContact O-OG 2.96Å; F799-S802 PolarHBondContact O-N 2.89Å; S802-N805 PolarHBondContact O-N 3Å; S802-A806 WeakPolarHBondContact O-CB 3.14Å; S802-A806 PolarHBondContact O-N 3.16Å
803	L	85.1	Confident	72.7	Confident	1 Å²	1	87 Å²	87	1%	0.005	43%	0.431	C	S	.	.	H	α-helix	trans	-64.8	-42.9	176.9	-177.5	60.1	0	0	0	112.1	L674 L678 I758 I760 L787 F799 W800 N805 A806 L807	L674-L803 HydrophobicContact CD1-CD2 3.86Å; L678-L803 HydrophobicContact CD1-CD2 4.15Å; I758-L803 HydrophobicContact CG2-CD1 3.93Å; I760-L803 HydrophobicContact CD1-CD1 3.86Å; I760-L803 HydrophobicContact CD1-CD2 3.82Å; I760-L803 HydrophobicContact CG1-CD1 4.32Å; L787-L803 HydrophobicContact CD1-CB 3.92Å; L787-L803 HydrophobicContact CD1-CD1 3.8Å; L787-L803 HydrophobicContact CD1-CG 4.47Å; F799-L803 HydrophobicContact CE1-CD2 4.19Å; F799-L803 HydrophobicContact CZ-CD2 4.45Å; F799-L803 PolarHBondContact O-N 3.43Å; W800-L803 HydrophobicContact CE3-CD2 3.96Å; W800-L803 HydrophobicContact CZ3-CD2 3.77Å; W800-L803 PolarHBondContact O-N 3.37Å; L803-N805 VanDerWaalsContact C-N 3.34Å; L803-N805 PolarHBondContact O-N 3.47Å; L803-A806 PolarHBondContact O-N 3.21Å; L803-L807 HydrophobicContact CD1-CD1 4.27Å; L803-L807 HydrophobicContact CD1-CG 4.4Å; L803-L807 HydrophobicContact CG-CD1 4.1Å; L803-L807 WeakPolarHBondContact O-CB 3.47Å; L803-L807 WeakPolarHBondContact O-CG 3.19Å; L803-L807 PolarHBondContact O-N 3.07Å
804	R	81.4	Confident	72.6	Confident	48 Å²	48	84.2 Å²	84.2	18%	0.181	42%	0.42	C	S	.	.	H	α-helix	trans	-66.2	-36.5	179.9	-155.9	179.9	-68.6	-121.2	-2.8	111.8	E677 S692 L695 W800 R801 R808	E677-R804 PolarHBondContact O-NH2 2.83Å; S692-R804 PolarHBondContact OG-NH1 3.39Å; L695-R804 HydrophobicContact CD1-CG 4.05Å; W800-R804 WeakPolarHBondContact O-CB 3.32Å; W800-R804 PolarHBondContact O-N 3.47Å; R801-R804 PolarHBondContact O-N 3.22Å; R804-R808 WeakPolarHBondContact O-CG 2.89Å; R804-R808 PolarHBondContact O-N 3.41Å; R804-R808 VanDerWaalsContact O-N 3.12Å
805	N	78.1	Confident	72.5	Confident	85 Å²	85	78.9 Å²	78.9	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-66.6	-46.9	174.3	-71.4	-1.8	0	0	0	111.5	R801 S802 L803 L807 R808 G809	R801-N805 VanDerWaalsContact O-CG 3.29Å; R801-N805 PolarHBondContact O-N 3.27Å; R801-N805 VanDerWaalsContact O-N 3.08Å; R801-N805 PolarHBondContact O-OD1 3.1Å; S802-N805 PolarHBondContact O-N 3Å; L803-N805 VanDerWaalsContact C-N 3.34Å; L803-N805 PolarHBondContact O-N 3.47Å; N805-L807 VanDerWaalsContact C-N 3.27Å; N805-L807 PolarHBondContact O-N 3.22Å; N805-R808 PolarHBondContact O-N 3.15Å; N805-G809 PolarHBondContact O-N 3.18Å
806	A	78.1	Confident	72.2	Confident	31 Å²	31	75.4 Å²	75.4	26%	0.256	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-39.2	177.3	0	0	0	0	0	112.2	I758 S802 L803	I758-A806 HydrophobicContact CD1-CB 3.72Å; I758-A806 HydrophobicContact CG1-CB 4.14Å; S802-A806 WeakPolarHBondContact O-CB 3.14Å; S802-A806 PolarHBondContact O-N 3.16Å; L803-A806 PolarHBondContact O-N 3.21Å
807	L	77.6	Confident	71.6	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.052	40%	0.4	C	S	.	.	H	α-helix	trans	-69	-37.2	177.8	-76.8	173.6	0	0	0	113.5	A658 L678 L695 R723 V725 I758 L803 N805	A658-L807 HydrophobicContact CB-CD2 3.52Å; L678-L807 HydrophobicContact CD1-CD1 4.08Å; L695-L807 HydrophobicContact CD1-CB 4.19Å; L695-L807 HydrophobicContact CD1-CD1 3.96Å; R723-L807 HydrophobicContact CB-CD2 4.01Å; R723-L807 HydrophobicContact CG-CD2 4.45Å; V725-L807 HydrophobicContact CG2-CD2 3.68Å; I758-L807 HydrophobicContact CD1-CD2 3.7Å; I758-L807 HydrophobicContact CD1-CG 3.97Å; L803-L807 HydrophobicContact CD1-CD1 4.27Å; L803-L807 HydrophobicContact CD1-CG 4.4Å; L803-L807 HydrophobicContact CG-CD1 4.1Å; L803-L807 WeakPolarHBondContact O-CB 3.47Å; L803-L807 WeakPolarHBondContact O-CG 3.19Å; L803-L807 PolarHBondContact O-N 3.07Å; N805-L807 VanDerWaalsContact C-N 3.27Å; N805-L807 PolarHBondContact O-N 3.22Å
808	R	73.6	Confident	71.1	Confident	89 Å²	89	77 Å²	77	34%	0.336	40%	0.395	S	S	.	.	H	α-helix	trans	-81.3	-16.3	-179.7	-70.6	178.7	178.5	167.3	3.1	113.6	S692 R693 L695 R804 N805	S692-R808 PolarHBondContact OG-NH2 3.39Å; R693-R808 PolarHBondContact O-NH2 3.22Å; L695-R808 HydrophobicContact CD2-CG 4.34Å; R804-R808 WeakPolarHBondContact O-CG 2.89Å; R804-R808 PolarHBondContact O-N 3.41Å; R804-R808 VanDerWaalsContact O-N 3.12Å; N805-R808 PolarHBondContact O-N 3.15Å
809	G	63.6	Low	70.4	Confident	30 Å²	30	74 Å²	74	31%	0.309	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	14.9	171.8	0	0	0	0	0	115.4	R723 N805 N811	R723-G809 VanDerWaalsContact NH2-CA 3.31Å; N805-G809 PolarHBondContact O-N 3.18Å; G809-N811 PolarHBondContact O-N 2.69Å
810	D	45.5	Very low	69.1	Low	132 Å²	132	78.7 Å²	78.7	71%	0.706	41%	0.409	S	S	*	.			trans	-86.3	93.3	170.9	-69.4	-30.6	0	0	0	108.3
811	N	37.4	Very low	67.7	Low	128 Å²	128	83.4 Å²	83.4	68%	0.684	44%	0.436	S	S	*	.			trans	-83.2	108.5	164.3	-80.5	-16.5	0	0	0	107.8	G809	G809-N811 PolarHBondContact O-N 2.69Å
812	D	31.1	Very low	66.6	Low	243 Å²	243	77.5 Å²	77.5	100%	1.299	43%	0.425	S	S	*	.			trans	-128	0	147.8	-92.1	-20.9	0	0	0	108.7

Retrieved 812 of 812 residues in 219 ms (Link to these results)

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