A0A3Q0KRG7_SCHMA Loading...

DUF4503 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 908 aa.

						>A0A3Q0KRG7_SCHMA|A0A3Q0KRG7
MFTKKDWLPKRICVPRKSVSIDDSSSWVYSFGPTNSLRPRRSFRRVAPDSGIVINTKNQEDEGCINISPTSSPEGETLEFGHQLLSIENLDEPISSNEFQQLQNLISGNCSSSVSSQNENAVICEYSQPSSLTEVVNQNGCTNLDESDFDSLCYLTELQRDCSGLPYKNLTVKSLPRRISSNSILRKLHHLVKRNSSERSIWLHQRSTQNILDSTKHTSKTFQILRVFRNYSDNLPGLVAFGVREVVTHLENETETFDVNENVSNKFAILLLPISGVPFGAEELFSSTATNFVLGNDLKCGDFVMIFSPWSTYPSHEFNSLPVLHSFFWVERLKHEVLSDVENDFPDPQITPHKLELITCSCLNSCDPFVVLNCSKRFKGSAEPKSSVIQTFQDSSEKMLTEIFNRNCFLVLGCYRFWLLKKLRHILLVWHYNNGPGLILLPDQLTHSGNLNNPISYQDFHIGNVYTSESLLQLPDNQLQANVQKEIHDHLNEIKDSLESKYASNLNNFIHGSTIHHNPITEKTCIEYSNYSIKLWDARVSRFNLVESNYIHFNLSTPYKSNLGNYTRCSVSGYLVLEPAEGSLVKDIILDWYHHESRRLKCCSLKNLNIFTDEQKSTRIFYLWISDSVTSTTLIPCICLVDVISPMELIYEHLFAISSTSNFLSTTGFGVYIMIDQGLFFDSFILIDRFTLLKTENYSQHSLSMPSLKNSLSKQIYSSYILLQSLEDVNKLRVHQIVSFSGTLIRVDTSRSHVWPICPYCSCADFEIYSDNNDKIKYFSKQENLKCVRCLSILSNPLQRLELEVQVLINFDDDQSTVNKLKRHKSSVELTLNMASWRLCKLLNVTPSNLLKESGLNAQELVNRHLDNVIGIVVHIPNKVFPVDNVQNCNDYLRNIYVIELDQMKNGN
					

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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	28	Very low	23.6	Very low	234 Å²	234	173.6 Å²	173.6	100%	1.153	82%	0.816	S	S	*	*				0	64.8	0	-169.9	174.1	-176.1	0	0	109.7
2	F	20.5	Very low	24	Very low	213 Å²	213	165.8 Å²	165.8	93%	0.934	78%	0.782	S	S	*	*			trans	-162.2	117.2	168.6	-87.6	-67.4	0	0	0	105.3
3	T	23.6	Very low	24.6	Very low	126 Å²	126	160.2 Å²	160.2	77%	0.773	77%	0.771	S	S	*	*			trans	-87.1	124	-175.6	38.1	0	0	0	0	110.5	K5	T3-K5 PolarHBondContact O-N 3.02Å
4	K	24.3	Very low	25.3	Very low	213 Å²	213	152.3 Å²	152.3	93%	0.926	74%	0.737	S	S	*	*			trans	-70.6	93.3	173.2	-70.8	179.5	176	179.3	0	110.1
5	K	24.1	Very low	26.2	Very low	136 Å²	136	148.9 Å²	148.9	59%	0.591	73%	0.731	S	S	*	*			trans	-134	-23.4	170.3	-74.3	-168	160.1	-153.8	0	114.5	T3 E76	T3-K5 PolarHBondContact O-N 3.02Å; K5-E76 VanDerWaalsContact CD-OE2 3.27Å; K5-E76 WeakPolarHBondContact CD-OE2 3.44Å; K5-E76 WeakPolarHBondContact CE-OE1 3.35Å; K5-E76 WeakPolarHBondContact CE-OE2 3.44Å; K5-E76 IonicContact NZ-OE1 3.84Å; K5-E76 PolarHBondContact NZ-OE1 3.48Å; K5-E76 IonicContact NZ-OE2 3.06Å; K5-E76 PolarHBondContact NZ-OE2 3.18Å
6	D	24.2	Very low	26.8	Very low	137 Å²	137	147.6 Å²	147.6	73%	0.733	72%	0.716	S	S	*	*			trans	-80.8	164.6	171.1	-58.2	-63.7	0	0	0	112.5
7	W	21.8	Very low	27.7	Very low	203 Å²	203	145.6 Å²	145.6	77%	0.769	70%	0.703	S	S	*	*			trans	80.1	39.5	174.5	-56.3	80.1	0	0	0	118.3	L165	W7-L165 HydrophobicContact CZ3-CD1 4.38Å
8	L	21.2	Very low	28.3	Very low	156 Å²	156	141.5 Å²	141.5	82%	0.817	69%	0.692	S	S	*	*			trans	-116	133.3	142.7	-83.6	172.9	0	0	0	110.1	K10	L8-K10 PolarHBondContact O-N 3.22Å
9	P	22	Very low	28.8	Very low	117 Å²	117	134.4 Å²	134.4	76%	0.76	66%	0.657	S	S	*	*			trans	-67.6	121.2	170.5	28.7	-31.9	0	0	0	108.3	R11	P9-R11 PolarHBondContact O-N 2.82Å
10	K	24.4	Very low	29.2	Very low	185 Å²	185	130.7 Å²	130.7	80%	0.804	65%	0.645	S	S	*	*			trans	-55.9	112.8	-178.1	-71	-171	174.2	-171.9	0	110	L8 I12	L8-K10 PolarHBondContact O-N 3.22Å; K10-I12 VanDerWaalsContact C-N 3.3Å; K10-I12 HydrophobicContact CB-CG1 4.34Å; K10-I12 PolarHBondContact O-N 3.33Å
11	R	25.8	Very low	29.5	Very low	190 Å²	190	128 Å²	128	72%	0.717	63%	0.633	S	S	*	*			trans	-67.8	91.5	166.8	-86.4	-178.5	161.9	173.2	-7.2	108.1	P9 C13	P9-R11 PolarHBondContact O-N 2.82Å; R11-C13 PolarHBondContact O-N 3.34Å
12	I	28.6	Very low	29.6	Very low	79 Å²	79	124 Å²	124	41%	0.405	62%	0.616	S	S	.	*			trans	-79.2	81.9	172.4	-58.2	168.3	0	0	0	107.1	K10 V14 I768	K10-I12 VanDerWaalsContact C-N 3.3Å; K10-I12 HydrophobicContact CB-CG1 4.34Å; K10-I12 PolarHBondContact O-N 3.33Å; I12-V14 PolarHBondContact O-N 2.82Å; I12-V14 VanDerWaalsContact O-N 3.12Å; I12-I768 HydrophobicContact CB-CD1 4.42Å; I12-I768 HydrophobicContact CD1-CD1 3.64Å; I12-I768 HydrophobicContact CD1-CG1 4.28Å; I12-I768 HydrophobicContact CG2-CD1 4.17Å
13	C	30.9	Very low	30.2	Very low	94 Å²	94	116.8 Å²	116.8	64%	0.635	59%	0.588	S	S	*	*			trans	-55.4	115.8	156.5	-65.5	0	0	0	0	106.5	R11 P15	R11-C13 PolarHBondContact O-N 3.34Å; C13-P15 WeakPolarHBondContact O-CD 3.44Å; C13-P15 VanDerWaalsContact O-N 3.11Å
14	V	34.6	Very low	30.4	Very low	49 Å²	49	115.9 Å²	115.9	30%	0.297	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-60.6	117.9	-178.7	-179.7	0	0	0	0	107.3	I12 R16 P756 F766 L785	I12-V14 PolarHBondContact O-N 2.82Å; I12-V14 VanDerWaalsContact O-N 3.12Å; V14-R16 PolarHBondContact O-N 3.39Å; V14-P756 HydrophobicContact CB-CG 4.28Å; V14-P756 HydrophobicContact CG1-CG 4.15Å; V14-F766 HydrophobicContact CG2-CB 4.34Å; V14-L785 HydrophobicContact CG2-CD2 4.14Å
15	P	38.4	Very low	30.4	Very low	101 Å²	101	110.3 Å²	110.3	66%	0.656	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.4	-168.9	23.3	-33	0	0	0	110.5	C13 K17	C13-P15 WeakPolarHBondContact O-CD 3.44Å; C13-P15 VanDerWaalsContact O-N 3.11Å; P15-K17 PolarHBondContact O-N 3.13Å
16	R	37	Very low	30.5	Very low	128 Å²	128	106.7 Å²	106.7	48%	0.483	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-52.8	122.6	168.6	-71.4	176.5	171.2	151.2	-11	107.8	V14 G582	V14-R16 PolarHBondContact O-N 3.39Å; R16-G582 PolarHBondContact NH2-O 3.31Å
17	K	41.9	Very low	30.6	Very low	114 Å²	114	103.9 Å²	103.9	50%	0.496	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.8	171.6	-75.2	-163.6	169.9	-159.4	0	109.3	P15 H753 V754	P15-K17 PolarHBondContact O-N 3.13Å; K17-H753 WeakPolarHBondContact O-CA 3.29Å; K17-V754 PolarHBondContact O-N 2.76Å
18	S	37.7	Very low	30.7	Very low	72 Å²	72	99.8 Å²	99.8	50%	0.503	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	157.4	168	46.3	0	0	0	0	111	S20	S18-S20 PolarHBondContact O-N 3.42Å
19	V	39.2	Very low	31	Very low	6 Å²	6	102.7 Å²	102.7	4%	0.036	54%	0.544	C	S	.	.			trans	-91.8	79.8	178.5	-175.3	0	0	0	0	109.3	T749 L856	V19-T749 WeakPolarHBondContact O-CB 3.46Å; V19-T749 WeakPolarHBondContact O-CG2 3.17Å; V19-L856 HydrophobicContact CG1-CB 3.92Å
20	S	36.4	Very low	31.2	Very low	60 Å²	60	100.3 Å²	100.3	42%	0.42	53%	0.53	S	S	.	.			trans	-70.9	142.8	173.3	54.7	0	0	0	0	111.7	S18	S18-S20 PolarHBondContact O-N 3.42Å
21	I	34	Very low	31.3	Very low	75 Å²	75	95.1 Å²	95.1	39%	0.385	51%	0.508	S	S	.	.	S	Bend	trans	-83.9	-30.6	-176.6	-58	173.4	0	0	0	111.4	T749 A858	I21-T749 HydrophobicContact CD1-CG2 4.26Å; I21-T749 HydrophobicContact CG1-CG2 4.18Å; I21-A858 HydrophobicContact CD1-CB 3.98Å; I21-A858 HydrophobicContact CG1-CB 4.12Å
22	D	32	Very low	31.3	Very low	150 Å²	150	88.3 Å²	88.3	80%	0.802	50%	0.497	S	S	*	.	S	Bend	trans	-105.3	10.9	-154.5	-44.5	-75.7	0	0	0	115.8
23	D	32.5	Very low	31.2	Very low	62 Å²	62	88.3 Å²	88.3	33%	0.332	50%	0.502	S	S	.	.			trans	-138.6	101.7	175.3	177.3	24.7	0	0	0	112.7	S25 S26	D23-S25 VanDerWaalsContact C-N 3.26Å; D23-S25 PolarHBondContact O-N 2.96Å; D23-S25 WeakPolarHBondContact OD1-CA 3.48Å; D23-S25 VanDerWaalsContact OD1-CB 3.29Å; D23-S25 WeakPolarHBondContact OD1-CB 3.5Å; D23-S25 PolarHBondContact OD1-N 3.17Å; D23-S25 PolarHBondContact OD1-OG 3.18Å; D23-S26 WeakPolarHBondContact OD2-CB 3.37Å; D23-S26 PolarHBondContact OD2-N 2.78Å; D23-S26 PolarHBondContact OD2-OG 2.96Å
24	S	26.7	Very low	30.9	Very low	107 Å²	107	90 Å²	90	75%	0.748	51%	0.51	S	S	*	.	S	Bend	trans	-79.5	0.8	176.1	55.5	0	0	0	0	114.3
25	S	24.9	Very low	30.4	Very low	95 Å²	95	95.7 Å²	95.7	66%	0.664	54%	0.538	S	S	*	.	S	Bend	trans	-106.3	-23.4	-168.3	78.6	0	0	0	0	115.8	D23 W27	D23-S25 VanDerWaalsContact C-N 3.26Å; D23-S25 PolarHBondContact O-N 2.96Å; D23-S25 WeakPolarHBondContact OD1-CA 3.48Å; D23-S25 VanDerWaalsContact OD1-CB 3.29Å; D23-S25 WeakPolarHBondContact OD1-CB 3.5Å; D23-S25 PolarHBondContact OD1-N 3.17Å; D23-S25 PolarHBondContact OD1-OG 3.18Å; S25-W27 VanDerWaalsContact C-N 3.33Å; S25-W27 PolarHBondContact O-N 2.95Å
26	S	26.8	Very low	29.8	Very low	61 Å²	61	96 Å²	96	43%	0.427	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	14.5	-171.7	55.9	0	0	0	0	116.7	D23	D23-S26 WeakPolarHBondContact OD2-CB 3.37Å; D23-S26 PolarHBondContact OD2-N 2.78Å; D23-S26 PolarHBondContact OD2-OG 2.96Å
27	W	26.3	Very low	29.2	Very low	77 Å²	77	98.2 Å²	98.2	29%	0.292	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102	2.1	-168.2	-92.6	66.1	0	0	0	117.1	S25	S25-W27 VanDerWaalsContact C-N 3.33Å; S25-W27 PolarHBondContact O-N 2.95Å
28	V	24.4	Very low	28.3	Very low	117 Å²	117	104.1 Å²	104.1	71%	0.709	58%	0.582	S	S	*	*			trans	-126	110.3	-177.8	-176.4	0	0	0	0	112.9
29	Y	26.3	Very low	27.7	Very low	218 Å²	218	106.7 Å²	106.7	86%	0.855	60%	0.597	S	S	*	*	S	Bend	trans	-169.1	-20.2	135.1	-110.7	-61.8	0	0	0	116.2
30	S	26.1	Very low	26.9	Very low	67 Å²	67	117.6 Å²	117.6	47%	0.469	64%	0.638	S	S	.	*	S	Bend	trans	-98.1	-36	-163.2	-48.9	0	0	0	0	117.8
31	F	27.9	Very low	26.3	Very low	76 Å²	76	126 Å²	126	33%	0.333	66%	0.66	S	S	.	*	S	Bend	trans	-131.2	22.1	-163.9	-64	-66.3	0	0	0	116.2	L785	F31-L785 HydrophobicContact CE1-CD1 3.96Å; F31-L785 HydrophobicContact CZ-CD1 3.94Å
32	G	25.6	Very low	25.8	Very low	47 Å²	47	127.1 Å²	127.1	49%	0.485	68%	0.675	S	S	.	*			trans	-87.2	130.7	174.5	0	0	0	0	0	113.2	T34	G32-T34 PolarHBondContact O-N 3.41Å; G32-T34 VanDerWaalsContact O-N 3.17Å
33	P	24.8	Very low	25.4	Very low	78 Å²	78	129.7 Å²	129.7	51%	0.506	68%	0.679	S	S	.	*			trans	-79.6	94.7	175	31.2	-33.6	0	0	0	111.2	N35	P33-N35 VanDerWaalsContact C-N 3.3Å; P33-N35 PolarHBondContact O-N 2.93Å
34	T	25.6	Very low	25	Very low	131 Å²	131	138.5 Å²	138.5	80%	0.804	71%	0.708	S	S	*	*			trans	-77.7	69.9	-177.3	59.1	0	0	0	0	113.4	G32 S36	G32-T34 PolarHBondContact O-N 3.41Å; G32-T34 VanDerWaalsContact O-N 3.17Å; T34-S36 VanDerWaalsContact C-N 3.33Å; T34-S36 PolarHBondContact O-N 3.21Å; T34-S36 VanDerWaalsContact O-N 3.1Å
35	N	23.5	Very low	24.8	Very low	167 Å²	167	144.7 Å²	144.7	89%	0.893	72%	0.715	S	S	*	*			trans	-80.2	73.9	170	-91.3	0.5	0	0	0	111.8	P33	P33-N35 VanDerWaalsContact C-N 3.3Å; P33-N35 PolarHBondContact O-N 2.93Å
36	S	26.5	Very low	24.9	Very low	107 Å²	107	147.1 Å²	147.1	75%	0.748	73%	0.725	S	S	*	*			trans	-157.3	138.1	155.6	56.5	0	0	0	0	112.1	T34 R38	T34-S36 VanDerWaalsContact C-N 3.33Å; T34-S36 PolarHBondContact O-N 3.21Å; T34-S36 VanDerWaalsContact O-N 3.1Å; S36-R38 PolarHBondContact O-N 3.13Å
37	L	24	Very low	24.7	Very low	176 Å²	176	148.3 Å²	148.3	92%	0.921	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-74.8	122.8	178.9	-73.1	158.3	0	0	0	110	P39	L37-P39 WeakPolarHBondContact O-CD 3.13Å
38	R	22.9	Very low	25.1	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-69.6	129.1	172.5	-76.7	-172.9	176.3	-171.7	-2.2	111.9	S36	S36-R38 PolarHBondContact O-N 3.13Å
39	P	24.4	Very low	25.3	Very low	126 Å²	126	152.2 Å²	152.2	82%	0.818	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.3	152.9	148.2	-17.6	32.6	0	0	0	110.6	L37	L37-P39 WeakPolarHBondContact O-CD 3.13Å
40	R	23.3	Very low	25.2	Very low	235 Å²	235	147 Å²	147	89%	0.887	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-96.7	161.6	-175.1	-76	171	147.2	179.2	-6.5	112.9
41	R	23.8	Very low	25.1	Very low	237 Å²	237	147.4 Å²	147.4	89%	0.894	78%	0.778	S	S	*	*			trans	88	143.7	166.4	-58.6	175.7	174.1	165.9	-2.5	114.6
42	S	24.2	Very low	24.7	Very low	98 Å²	98	151 Å²	151	69%	0.685	80%	0.799	S	S	*	*			cis	-158.9	148.5	-0.3	25.1	0	0	0	0	114.1
43	F	22.5	Very low	24.8	Very low	204 Å²	204	155.3 Å²	155.3	90%	0.895	82%	0.816	S	S	*	*			trans	24	142.6	148.7	-59.5	-73.8	0	0	0	121.2
44	R	24.9	Very low	24.7	Very low	247 Å²	247	157.2 Å²	157.2	93%	0.932	82%	0.821	S	S	*	*				-157.4	180	61.3	-141.1	175.2	-174.1	-178.6	1.1	114
45	R	21.5	Very low	24.7	Very low	237 Å²	237	157.9 Å²	157.9	89%	0.894	82%	0.819	S	S	*	*			trans	-91.4	158.7	-178.1	-50.5	169.8	-178.2	154.1	-3.2	112.7
46	V	26.7	Very low	24.7	Very low	146 Å²	146	155.5 Å²	155.5	89%	0.885	81%	0.811	S	S	*	*				-160.8	162.8	125.9	149.6	0	0	0	0	107.5
47	A	22.4	Very low	24.6	Very low	87 Å²	87	159.2 Å²	159.2	72%	0.719	81%	0.814	S	S	*	*			trans	-143.4	-172	-177.1	0	0	0	0	0	110.2
48	P	35.7	Very low	24.6	Very low	120 Å²	120	156.4 Å²	156.4	78%	0.779	80%	0.8	S	S	*	*				-125	173.7	-122.4	40.9	-24	0	0	0	116.9
49	D	28.3	Very low	24.6	Very low	155 Å²	155	151.9 Å²	151.9	83%	0.829	79%	0.789	S	S	*	*			trans	-162.2	175.6	170	-101.1	-48.2	0	0	0	109.5
50	S	24.4	Very low	24.6	Very low	108 Å²	108	152.9 Å²	152.9	76%	0.755	78%	0.783	S	S	*	*				-168.7	161.8	-67.7	56.1	0	0	0	0	109.7
51	G	23.5	Very low	24.6	Very low	76 Å²	76	148.4 Å²	148.4	78%	0.784	78%	0.776	S	S	*	*			trans	125.8	155.5	168.3	0	0	0	0	0	118.2
52	I	21.1	Very low	24.6	Very low	152 Å²	152	145.8 Å²	145.8	78%	0.779	77%	0.774	S	S	*	*			trans	-140.6	140.6	-168.6	-66.6	166.9	0	0	0	112.2	I54	I52-I54 HydrophobicContact CG2-CD1 3.51Å; I52-I54 HydrophobicContact CG2-CG1 3.96Å
53	V	26.4	Very low	24.5	Very low	138 Å²	138	144.7 Å²	144.7	84%	0.836	78%	0.779	S	S	*	*			trans	-174.3	144.1	151.6	134.3	0	0	0	0	108.2
54	I	23.4	Very low	24.5	Very low	118 Å²	118	141 Å²	141	61%	0.605	78%	0.776	S	S	*	*			cis	116.4	105.9	-1.6	-62.6	173.2	0	0	0	116	I52	I52-I54 HydrophobicContact CG2-CD1 3.51Å; I52-I54 HydrophobicContact CG2-CG1 3.96Å
55	N	24.2	Very low	24.3	Very low	144 Å²	144	136.8 Å²	136.8	77%	0.77	77%	0.771	S	S	*	*			trans	65.8	156.6	154	-68	-8.8	0	0	0	119.7
56	T	24.1	Very low	24.3	Very low	118 Å²	118	132.9 Å²	132.9	72%	0.724	77%	0.768	S	S	*	*			cis	-159.2	149	15.5	-17.1	0	0	0	0	115.4
57	K	23.8	Very low	24	Very low	185 Å²	185	132.9 Å²	132.9	80%	0.804	76%	0.761	S	S	*	*			trans	85	153.4	133.3	-108.7	178.2	-177.5	-168.3	0	126.3
58	N	25.8	Very low	24	Very low	117 Å²	117	134 Å²	134	63%	0.626	76%	0.763	S	S	*	*			trans	80.6	120.2	164.8	-64.9	16.6	0	0	0	116.7
59	Q	22.8	Very low	23.5	Very low	141 Å²	141	134 Å²	134	66%	0.659	76%	0.764	S	S	*	*				68.6	131.5	72.5	-68.6	-177.2	-74.6	0	0	111.9
60	E	22.6	Very low	23.2	Very low	148 Å²	148	133.3 Å²	133.3	69%	0.692	77%	0.765	S	S	*	*			cis	-171	169.5	4.2	-119.2	148.9	-159.2	0	0	107.6
61	D	24	Very low	23.3	Very low	140 Å²	140	132.9 Å²	132.9	75%	0.749	76%	0.762	S	S	*	*			cis	-160.2	-169.7	3.2	-152.5	-19.2	0	0	0	110.7
62	E	23.4	Very low	23.2	Very low	182 Å²	182	134.6 Å²	134.6	85%	0.85	76%	0.762	S	S	*	*			trans	64.2	123.2	158.9	-67.3	-164.6	150.1	0	0	122.8
63	G	22.7	Very low	23.5	Very low	76 Å²	76	133.1 Å²	133.1	78%	0.784	76%	0.762	S	S	*	*				102	69	117.6	0	0	0	0	0	121.6
64	C	22.8	Very low	23.4	Very low	125 Å²	125	135.1 Å²	135.1	85%	0.845	76%	0.763	S	S	*	*			trans	-165.7	110.7	143.8	-122	0	0	0	0	113.5
65	I	20.1	Very low	23.5	Very low	159 Å²	159	133.3 Å²	133.3	82%	0.815	77%	0.773	S	S	*	*			trans	-90.1	104.6	171	-63.3	174.6	0	0	0	108.5	I67	I65-I67 HydrophobicContact CG2-CD1 3.84Å; I65-I67 HydrophobicContact CG2-CG1 3.77Å
66	N	22.4	Very low	23.4	Very low	156 Å²	156	132.6 Å²	132.6	83%	0.834	77%	0.765	S	S	*	*			trans	-123.6	109.6	175.1	-134.4	-10.7	0	0	0	108.9
67	I	20.8	Very low	23.4	Very low	146 Å²	146	133.2 Å²	133.2	75%	0.749	77%	0.769	S	S	*	*			trans	-105.3	104.9	-167.7	-58.5	169.3	0	0	0	110.2	I65	I65-I67 HydrophobicContact CG2-CD1 3.84Å; I65-I67 HydrophobicContact CG2-CG1 3.77Å
68	S	21.8	Very low	23.3	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	77%	0.772	S	S	*	*			trans	161.6	156.8	140.4	45.2	0	0	0	0	111.8
69	P	24.1	Very low	23.1	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	78%	0.782	S	S	*	*			cis	-123.6	122.4	-19.4	31.2	-13.4	0	0	0	112.9
70	T	22.7	Very low	23.1	Very low	141 Å²	141	139 Å²	139	87%	0.865	80%	0.797	S	S	*	*			trans	-71.6	157.5	144.2	46.9	0	0	0	0	108.3
71	S	25.9	Very low	23.1	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	80%	0.798	S	S	*	*			cis	-146.3	123.9	22.5	55	0	0	0	0	114
72	S	22.7	Very low	23.1	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	81%	0.807	S	S	*	*	S	Bend	trans	-68.2	139.7	130	-73.9	0	0	0	0	107.7	E74	S72-E74 PolarHBondContact O-N 3.25Å; S72-E74 VanDerWaalsContact O-N 3.1Å
73	P	26.4	Very low	23	Very low	120 Å²	120	139 Å²	139	78%	0.779	81%	0.811	S	S	*	*			trans	-67.9	112.5	175	27.4	-32.7	0	0	0	110.2	G75	P73-G75 PolarHBondContact O-N 3.28Å
74	E	24	Very low	23	Very low	181 Å²	181	142.8 Å²	142.8	85%	0.846	81%	0.812	S	S	*	*			trans	-11.5	107.8	170.2	-61	179.5	176	0	0	116.3	S72 E76	S72-E74 PolarHBondContact O-N 3.25Å; S72-E74 VanDerWaalsContact O-N 3.1Å; E74-E76 PolarHBondContact O-N 3.03Å
75	G	25.4	Very low	23	Very low	80 Å²	80	145.3 Å²	145.3	83%	0.825	82%	0.816	S	S	*	*			trans	-76.4	101.5	162.1	0	0	0	0	0	109.5	P73 T77	P73-G75 PolarHBondContact O-N 3.28Å; G75-T77 PolarHBondContact O-N 2.59Å
76	E	24.1	Very low	23	Very low	128 Å²	128	142 Å²	142	60%	0.598	81%	0.807	S	S	*	*			trans	-54.9	137.2	-176.8	-57.9	-162	134.7	0	0	113.2	K5 E74 L78	K5-E76 VanDerWaalsContact CD-OE2 3.27Å; K5-E76 WeakPolarHBondContact CD-OE2 3.44Å; K5-E76 WeakPolarHBondContact CE-OE1 3.35Å; K5-E76 WeakPolarHBondContact CE-OE2 3.44Å; K5-E76 IonicContact NZ-OE1 3.84Å; K5-E76 PolarHBondContact NZ-OE1 3.48Å; K5-E76 IonicContact NZ-OE2 3.06Å; K5-E76 PolarHBondContact NZ-OE2 3.18Å; E74-E76 PolarHBondContact O-N 3.03Å; E76-L78 PolarHBondContact O-N 2.64Å
77	T	22.2	Very low	23	Very low	132 Å²	132	141.6 Å²	141.6	81%	0.81	80%	0.803	S	S	*	*			trans	-64.8	124.7	-172.3	50.6	0	0	0	0	113.1	G75	G75-T77 PolarHBondContact O-N 2.59Å
78	L	22.6	Very low	23.1	Very low	166 Å²	166	142.8 Å²	142.8	87%	0.869	81%	0.806	S	S	*	*			trans	-112.1	120.3	153.1	-83.5	168.6	0	0	0	108.2	E76 F80	E76-L78 PolarHBondContact O-N 2.64Å; L78-F80 PolarHBondContact O-N 3.22Å
79	E	22.5	Very low	23.1	Very low	178 Å²	178	144.8 Å²	144.8	83%	0.832	81%	0.808	S	S	*	*			trans	-73.5	112.3	-172.2	-58.7	172.9	120.9	0	0	112
80	F	23	Very low	23.2	Very low	220 Å²	220	147.2 Å²	147.2	97%	0.965	81%	0.813	S	S	*	*			trans	-147.7	107.8	147.6	-85.3	-69.6	0	0	0	108	L78	L78-F80 PolarHBondContact O-N 3.22Å
81	G	20.8	Very low	23.2	Very low	70 Å²	70	147.6 Å²	147.6	72%	0.722	81%	0.81	S	S	*	*			trans	-99.9	159.1	-169	0	0	0	0	0	114.7
82	H	24.3	Very low	23.1	Very low	201 Å²	201	151.6 Å²	151.6	93%	0.931	82%	0.818	S	S	*	*			trans	-134.7	149.5	151.7	-85.1	-78.7	0	0	0	108.3
83	Q	22.1	Very low	23.3	Very low	200 Å²	200	152.2 Å²	152.2	94%	0.935	82%	0.819	S	S	*	*			trans	-85.6	162.8	-174.4	-72.8	176.2	-76.8	0	0	113.1
84	L	22.2	Very low	23.4	Very low	155 Å²	155	154.8 Å²	154.8	81%	0.812	83%	0.825	S	S	*	*			trans	-60	151	176.9	-68.2	140.9	0	0	0	113.3
85	L	22.2	Very low	23.4	Very low	178 Å²	178	150.9 Å²	150.9	93%	0.932	82%	0.817	S	S	*	*				-130.3	119.5	129.6	-89.2	176.9	0	0	0	109
86	S	21.6	Very low	23.3	Very low	90 Å²	90	151.4 Å²	151.4	63%	0.629	81%	0.809	S	S	*	*			trans	-104.6	136	162.6	52.3	0	0	0	0	108.2
87	I	22.7	Very low	23.4	Very low	146 Å²	146	152.8 Å²	152.8	75%	0.749	82%	0.82	S	S	*	*			trans	-165.8	117.4	148.2	-105.4	152.4	0	0	0	110
88	E	22.6	Very low	23.6	Very low	172 Å²	172	156 Å²	156	80%	0.804	83%	0.826	S	S	*	*			trans	50.9	139.8	135.1	-52.4	173.4	169.2	0	0	123.2
89	N	21.2	Very low	23.6	Very low	151 Å²	151	157.7 Å²	157.7	81%	0.807	83%	0.826	S	S	*	*			trans	-33.5	150.6	158.8	-44.9	-37	0	0	0	115.6
90	L	26	Very low	23.7	Very low	171 Å²	171	157.8 Å²	157.8	90%	0.895	83%	0.827	S	S	*	*			trans	-157.5	115.1	140.3	-114.5	160.9	0	0	0	111.6
91	D	22.4	Very low	23.8	Very low	150 Å²	150	156.3 Å²	156.3	80%	0.802	82%	0.823	S	S	*	*			trans	-78.6	120.7	158.4	-72.5	-66.7	0	0	0	108.6
92	E	25.1	Very low	24.1	Very low	183 Å²	183	159.5 Å²	159.5	86%	0.855	82%	0.823	S	S	*	*				174	153.8	127.8	-96.5	-168.1	163.6	0	0	111.6
93	P	26.8	Very low	24	Very low	125 Å²	125	159 Å²	159	81%	0.812	82%	0.821	S	S	*	*			trans	-90.1	147.6	-170.2	35	-35.1	0	0	0	114.1
94	I	27.8	Very low	24.2	Very low	174 Å²	174	156.1 Å²	156.1	89%	0.892	81%	0.812	S	S	*	*			trans	-116.5	133.1	167.8	-62.2	179.5	0	0	0	110.1
95	S	24.6	Very low	24.3	Very low	98 Å²	98	156.9 Å²	156.9	69%	0.685	82%	0.816	S	S	*	*			trans	-96.8	138.5	-173.6	57.8	0	0	0	0	113.9
96	S	23.7	Very low	24.4	Very low	92 Å²	92	156.3 Å²	156.3	64%	0.643	81%	0.812	S	S	*	*			trans	42.9	99.5	146.4	62.3	0	0	0	0	118.9
97	N	24.7	Very low	24.5	Very low	157 Å²	157	157.6 Å²	157.6	84%	0.84	82%	0.821	S	S	*	*				174.5	104.1	110.7	-89.5	-25.3	0	0	0	112
98	E	27.8	Very low	24.7	Very low	200 Å²	200	154 Å²	154	94%	0.935	82%	0.821	S	S	*	*			trans	-153.9	87.7	149.3	-132.3	169.1	-140.4	0	0	111.4
99	F	22.2	Very low	24.8	Very low	200 Å²	200	153 Å²	153	88%	0.877	82%	0.82	S	S	*	*			trans	-135.8	73.5	-179.3	-149.2	-69.4	0	0	0	109.7
100	Q	24.1	Very low	24.9	Very low	181 Å²	181	151.2 Å²	151.2	85%	0.846	82%	0.819	S	S	*	*			trans	178.7	76.7	159.3	-103	168	28.2	0	0	113.3
101	Q	26.1	Very low	24.8	Very low	188 Å²	188	148 Å²	148	88%	0.879	81%	0.81	S	S	*	*	S	Bend	trans	-176.8	124.2	151.8	-103.5	158.2	97	0	0	108.1
102	L	25.4	Very low	24.7	Very low	138 Å²	138	145.9 Å²	145.9	72%	0.723	81%	0.807	S	S	*	*			cis	-129.3	117.7	-5.2	-70.7	106.5	0	0	0	111.1	N104	L102-N104 PolarHBondContact O-N 3.19Å
103	Q	23.9	Very low	24.6	Very low	189 Å²	189	142 Å²	142	88%	0.883	80%	0.8	S	S	*	*			trans	-81	99.8	151.3	-83.6	-172.4	-19.7	0	0	108.2
104	N	24.9	Very low	24.3	Very low	141 Å²	141	142.1 Å²	142.1	75%	0.754	80%	0.799	S	S	*	*			trans	-156.9	76.9	168.9	-106.9	-29.5	0	0	0	110.9	L102	L102-N104 PolarHBondContact O-N 3.19Å
105	L	25.5	Very low	24	Very low	170 Å²	170	138.6 Å²	138.6	89%	0.89	79%	0.789	S	S	*	*			trans	179.6	74.9	151	-100.2	162.5	0	0	0	110.8
106	I	23.2	Very low	24	Very low	167 Å²	167	139 Å²	139	86%	0.856	79%	0.792	S	S	*	*			trans	-130	99.2	164.7	-59.7	-179.5	0	0	0	109.2
107	S	24.9	Very low	24	Very low	116 Å²	116	143 Å²	143	81%	0.811	80%	0.801	S	S	*	*			trans	-171.2	112.2	162.6	55.6	0	0	0	0	109
108	G	25.2	Very low	24	Very low	72 Å²	72	141.2 Å²	141.2	74%	0.742	79%	0.791	S	S	*	*			trans	-178	27.8	-168.6	0	0	0	0	0	120
109	N	25.9	Very low	23.9	Very low	150 Å²	150	138.5 Å²	138.5	80%	0.802	78%	0.778	S	S	*	*			trans	47.9	110.6	156.3	-60.3	-3	0	0	0	122.2
110	C	22.9	Very low	23.9	Very low	114 Å²	114	135.4 Å²	135.4	77%	0.77	77%	0.771	S	S	*	*				72.1	132	119.7	-56.2	0	0	0	0	124.6
111	S	23.9	Very low	24	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	77%	0.767	S	S	*	*			trans	65.1	94.9	134.8	61.3	0	0	0	0	123.1
112	S	20.7	Very low	23.8	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	76%	0.764	S	S	*	*				38.1	138.8	112.9	63.8	0	0	0	0	124.5
113	S	22.5	Very low	23.7	Very low	101 Å²	101	129.7 Å²	129.7	71%	0.706	77%	0.769	S	S	*	*				88.1	118.3	128.3	61.1	0	0	0	0	124.8
114	V	21.3	Very low	23.6	Very low	128 Å²	128	126 Å²	126	78%	0.776	76%	0.763	S	S	*	*				86.8	136.1	125.6	170.4	0	0	0	0	122
115	S	21.6	Very low	23.4	Very low	99 Å²	99	127.5 Å²	127.5	69%	0.692	77%	0.765	S	S	*	*			trans	56.9	130.9	164.8	57.8	0	0	0	0	119.3
116	S	23.5	Very low	23.2	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	76%	0.763	S	S	*	*			cis	89.2	111.1	28	80.4	0	0	0	0	116.4
117	Q	24.7	Very low	23.2	Very low	177 Å²	177	127.4 Å²	127.4	83%	0.827	76%	0.762	S	S	*	*			trans	-177.5	145.7	138.1	-104.5	177.1	-4.1	0	0	113.5
118	N	24.4	Very low	23.4	Very low	119 Å²	119	130.9 Å²	130.9	64%	0.636	77%	0.766	S	S	*	*			trans	66.6	147.7	147.2	-64	21.3	0	0	0	120
119	E	24.5	Very low	23.6	Very low	142 Å²	142	133.3 Å²	133.3	66%	0.664	77%	0.768	S	S	*	*			cis	-161	152.4	2.9	-124.2	169.7	-107.2	0	0	115.2
120	N	23.5	Very low	23.5	Very low	135 Å²	135	131 Å²	131	72%	0.722	76%	0.764	S	S	*	*			trans	73	157.4	145.8	-64.1	-27.1	0	0	0	125.9
121	A	25.2	Very low	23.7	Very low	92 Å²	92	130.9 Å²	130.9	76%	0.76	77%	0.765	S	S	*	*			trans	64	109.7	176.8	0	0	0	0	0	117.4
122	V	23.1	Very low	23.7	Very low	135 Å²	135	133.1 Å²	133.1	82%	0.818	77%	0.768	S	S	*	*			cis	90.3	138.9	15.5	-161.4	0	0	0	0	116.2
123	I	23.3	Very low	24	Very low	161 Å²	161	133.3 Å²	133.3	83%	0.826	76%	0.764	S	S	*	*			trans	95.3	140.3	171.8	-52.5	-168.8	0	0	0	117.9
124	C	20	Very low	24	Very low	111 Å²	111	136.4 Å²	136.4	75%	0.75	77%	0.768	S	S	*	*			trans	-118.9	176.6	175.7	-69.5	0	0	0	0	111.7
125	E	21.3	Very low	24.1	Very low	173 Å²	173	136.5 Å²	136.5	81%	0.808	77%	0.768	S	S	*	*			trans	94.6	125.1	157.1	-52.1	-154.9	132.2	0	0	121.4
126	Y	21.1	Very low	24.2	Very low	213 Å²	213	137.1 Å²	137.1	84%	0.835	77%	0.767	S	S	*	*			trans	28.3	136.3	144.6	-70.5	-81.5	0	0	0	124.3
127	S	24.4	Very low	24.2	Very low	122 Å²	122	138.4 Å²	138.4	85%	0.853	77%	0.766	S	S	*	*			trans	-156.3	106.8	142.6	-12.3	0	0	0	0	115.3
128	Q	28.3	Very low	24.2	Very low	189 Å²	189	136.9 Å²	136.9	88%	0.883	76%	0.759	S	S	*	*			trans	-130.9	162.3	139.5	-85.2	-166.5	-15.4	0	0	104.8
129	P	30.3	Very low	24.1	Very low	123 Å²	123	138.5 Å²	138.5	80%	0.799	77%	0.768	S	S	*	*			cis	-143.4	-123.2	43.3	42.1	-18.6	0	0	0	114.1
130	S	24	Very low	24.1	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	77%	0.774	S	S	*	*				-154.1	151.4	-106.8	64.1	0	0	0	0	114.8
131	S	27.4	Very low	24.1	Very low	111 Å²	111	135 Å²	135	78%	0.776	78%	0.78	S	S	*	*			trans	-145.2	143.2	159	54.1	0	0	0	0	109.4
132	L	23.3	Very low	24.1	Very low	150 Å²	150	137 Å²	137	79%	0.785	78%	0.783	S	S	*	*			cis	75.7	132.2	37.4	-65.3	163.6	0	0	0	112.6
133	T	25.6	Very low	24.2	Very low	110 Å²	110	138.4 Å²	138.4	68%	0.675	79%	0.786	S	S	*	*			cis	-151.7	158.3	18.9	4.4	0	0	0	0	115
134	E	23.3	Very low	24.1	Very low	166 Å²	166	138.6 Å²	138.6	78%	0.776	79%	0.788	S	S	*	*			trans	64.7	117.5	143.6	-64	177.5	142.1	0	0	124.2
135	V	23.3	Very low	24.3	Very low	129 Å²	129	140.2 Å²	140.2	78%	0.782	79%	0.789	S	S	*	*				66	139.6	98	-138.5	0	0	0	0	114.2
136	V	23.1	Very low	24.5	Very low	112 Å²	112	141.6 Å²	141.6	68%	0.679	80%	0.795	S	S	*	*			cis	-164.8	140.1	48.4	-174.4	0	0	0	0	114.9
137	N	23.5	Very low	24.5	Very low	134 Å²	134	136 Å²	136	72%	0.717	79%	0.787	S	S	*	*			trans	62.3	156.4	156.4	-72	-5.6	0	0	0	121.4
138	Q	25.3	Very low	24.5	Very low	146 Å²	146	136.9 Å²	136.9	68%	0.682	78%	0.783	S	S	*	*			cis	-156.6	151.5	-2.8	-124.8	168.9	14.2	0	0	113.3
139	N	23.1	Very low	24.3	Very low	153 Å²	153	137.9 Å²	137.9	82%	0.818	79%	0.785	S	S	*	*			trans	52.6	137.3	149.4	-60.3	-10.8	0	0	0	123.5
140	G	23.7	Very low	24	Very low	78 Å²	78	138.1 Å²	138.1	80%	0.804	78%	0.779	S	S	*	*			trans	144.1	119.5	158	0	0	0	0	0	113.9
141	C	23.3	Very low	24	Very low	125 Å²	125	138.4 Å²	138.4	85%	0.845	78%	0.781	S	S	*	*			trans	-106.8	138.2	-174.6	-65.9	0	0	0	0	114.1
142	T	24.9	Very low	23.8	Very low	133 Å²	133	140.7 Å²	140.7	82%	0.816	78%	0.784	S	S	*	*			trans	35.7	121.3	146.9	53.8	0	0	0	0	120.9
143	N	25.6	Very low	23.8	Very low	165 Å²	165	137.9 Å²	137.9	88%	0.882	78%	0.776	S	S	*	*			trans	-54.8	159.6	176.5	-51.4	-6.5	0	0	0	116.2
144	L	22.1	Very low	23.7	Very low	165 Å²	165	140.7 Å²	140.7	86%	0.864	78%	0.775	S	S	*	*			trans	-90.1	179.6	159	-84.4	162.2	0	0	0	111.6
145	D	22.8	Very low	23.7	Very low	145 Å²	145	140.4 Å²	140.4	78%	0.775	78%	0.778	S	S	*	*			trans	-61.1	151.3	-176.9	-49.3	-88.7	0	0	0	115.6
146	E	26.1	Very low	23.8	Very low	202 Å²	202	138.8 Å²	138.8	94%	0.944	77%	0.769	S	S	*	*			trans	-122.7	120.4	144.4	-76.5	-170.1	147.1	0	0	108.2
147	S	22	Very low	24	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	77%	0.769	S	S	*	*			trans	-86.7	172.6	173.9	57.5	0	0	0	0	111.9
148	D	23.2	Very low	24.1	Very low	141 Å²	141	140.3 Å²	140.3	75%	0.754	77%	0.768	S	S	*	*			trans	81.9	91.7	167.2	-52.5	-19.9	0	0	0	117.9
149	F	23.5	Very low	24	Very low	211 Å²	211	141.6 Å²	141.6	93%	0.925	77%	0.773	S	S	*	*			trans	-144.7	84	136.4	-113	-68.5	0	0	0	112.4
150	D	24.3	Very low	24	Very low	127 Å²	127	144.5 Å²	144.5	68%	0.679	77%	0.773	S	S	*	*			trans	26.2	101.7	151.3	-86.9	-53.1	0	0	0	121.6	L152	D150-L152 VanDerWaalsContact C-N 3.28Å; D150-L152 PolarHBondContact O-N 2.86Å
151	S	24.5	Very low	24.1	Very low	108 Å²	108	148.3 Å²	148.3	76%	0.755	78%	0.775	S	S	*	*				56.7	5.4	102.7	78.4	0	0	0	0	121.8
152	L	22.7	Very low	24	Very low	160 Å²	160	148 Å²	148	84%	0.838	77%	0.773	S	S	*	*			trans	-136.9	63	-167.7	-123.3	166	0	0	0	116.8	D150	D150-L152 VanDerWaalsContact C-N 3.28Å; D150-L152 PolarHBondContact O-N 2.86Å
153	C	24.8	Very low	24	Very low	91 Å²	91	147 Å²	147	62%	0.615	77%	0.771	S	S	*	*	S	Bend	trans	-156.6	-25.8	164.1	-133.2	0	0	0	0	117.3	L155 T156	C153-L155 VanDerWaalsContact C-N 3.31Å; C153-L155 PolarHBondContact O-N 2.82Å; C153-L155 VanDerWaalsContact O-N 3.09Å; C153-T156 PolarHBondContact O-N 2.92Å; C153-T156 PolarHBondContact O-OG1 2.88Å
154	Y	23.6	Very low	23.9	Very low	168 Å²	168	141.8 Å²	141.8	66%	0.659	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-17.1	-158.9	-132.9	-81.3	0	0	0	116.9	E198	Y154-E198 PolarHBondContact OH-OE1 2.78Å
155	L	23.4	Very low	23.8	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-12.5	-177.8	-81.2	164.2	0	0	0	114.6	C153	C153-L155 VanDerWaalsContact C-N 3.31Å; C153-L155 PolarHBondContact O-N 2.82Å; C153-L155 VanDerWaalsContact O-N 3.09Å
156	T	25.1	Very low	24.4	Very low	95 Å²	95	138.1 Å²	138.1	58%	0.583	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-22.2	-176.6	19.2	0	0	0	0	115.1	C153	C153-T156 PolarHBondContact O-N 2.92Å; C153-T156 PolarHBondContact O-OG1 2.88Å
157	E	25.8	Very low	24.3	Very low	148 Å²	148	137.8 Å²	137.8	69%	0.692	73%	0.733	S	S	*	*	S	Bend	trans	-81	-29.7	-177.4	-62.4	-161.6	129.8	0	0	113.1	Q159 R160	E157-Q159 VanDerWaalsContact C-N 3.28Å; E157-Q159 PolarHBondContact O-N 2.95Å; E157-R160 PolarHBondContact O-N 3.24Å
158	L	25.8	Very low	24.3	Very low	130 Å²	130	137.2 Å²	137.2	68%	0.681	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-8.2	-178.7	-83.2	164	0	0	0	115
159	Q	24.1	Very low	24.2	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	5.4	175.4	-67.1	-169.1	-8.9	0	0	113.8	E157	E157-Q159 VanDerWaalsContact C-N 3.28Å; E157-Q159 PolarHBondContact O-N 2.95Å
160	R	23.1	Very low	24.2	Very low	215 Å²	215	135 Å²	135	81%	0.811	72%	0.715	S	S	*	*			trans	-141.1	76.6	-176.8	-69.7	-174.2	177	173.6	1	113.8	E157	E157-R160 PolarHBondContact O-N 3.24Å
161	D	24.6	Very low	24.1	Very low	158 Å²	158	135 Å²	135	85%	0.845	72%	0.72	S	S	*	*			trans	-144	66	152.7	-152.3	0.1	0	0	0	112.1
162	C	22.2	Very low	24	Very low	119 Å²	119	137 Å²	137	80%	0.804	73%	0.728	S	S	*	*			trans	-93.7	108	169.7	-70.9	0	0	0	0	109.9
163	S	24	Very low	24	Very low	111 Å²	111	138.7 Å²	138.7	78%	0.776	73%	0.728	S	S	*	*	S	Bend	trans	49.1	106.1	156.3	60.2	0	0	0	0	119.3
164	G	23.6	Very low	23.9	Very low	56 Å²	56	140 Å²	140	58%	0.577	74%	0.739	S	S	*	*			trans	125.8	115.7	130.2	0	0	0	0	0	119.7
165	L	21.4	Very low	23.9	Very low	151 Å²	151	137.9 Å²	137.9	79%	0.791	74%	0.738	S	S	*	*			trans	69.2	162	149	-70.7	170	0	0	0	118.3	W7	W7-L165 HydrophobicContact CZ3-CD1 4.38Å
166	P	35.2	Very low	24.1	Very low	81 Å²	81	135.9 Å²	135.9	53%	0.526	73%	0.734	S	S	.	*			trans	-131.1	160.1	-138.3	42.9	-29.2	0	0	0	117.9
167	Y	24.2	Very low	24.1	Very low	195 Å²	195	143.2 Å²	143.2	77%	0.765	75%	0.751	S	S	*	*			trans	-134.1	139.8	159.8	-59.5	-81.6	0	0	0	108.1
168	K	21.3	Very low	24.4	Very low	83 Å²	83	146.2 Å²	146.2	36%	0.361	76%	0.756	S	S	.	*			cis	94.3	130.8	31	-162.1	171.5	-176.8	174.9	0	112.8	D771 N773	K168-D771 IonicContact NZ-OD1 3.39Å; K168-D771 PolarHBondContact NZ-OD1 3.18Å; K168-D771 IonicContact NZ-OD2 2.74Å; K168-D771 PolarHBondContact NZ-OD2 2.97Å; K168-N773 WeakPolarHBondContact CD-OD1 3.38Å; K168-N773 WeakPolarHBondContact CE-OD1 3.41Å; K168-N773 PolarHBondContact NZ-ND2 3.27Å; K168-N773 PolarHBondContact NZ-OD1 2.74Å
169	N	21.4	Very low	24.8	Very low	121 Å²	121	143 Å²	143	65%	0.647	74%	0.739	S	S	*	*			trans	63.5	93.9	179.3	-66.6	-1.7	0	0	0	118.9
170	L	22.8	Very low	25.4	Very low	184 Å²	184	136.7 Å²	136.7	96%	0.963	71%	0.714	S	S	*	*			trans	-135.5	126.5	134.5	-87.2	-178.3	0	0	0	109.6
171	T	21.7	Very low	26.2	Very low	128 Å²	128	130.6 Å²	130.6	79%	0.785	71%	0.705	S	S	*	*			trans	-121.1	112.1	-173.5	48.9	0	0	0	0	111.8
172	V	22.5	Very low	26.7	Very low	151 Å²	151	128.9 Å²	128.9	92%	0.915	70%	0.695	S	S	*	*			trans	-133.2	157	158.5	-174.4	0	0	0	0	108.3
173	K	22.8	Very low	27.6	Very low	194 Å²	194	124.6 Å²	124.6	84%	0.843	67%	0.667	S	S	*	*	S	Bend	trans	-79	174.7	-158.9	-64.7	167.8	-179.3	173.3	0	114.4
174	S	23.6	Very low	28.4	Very low	120 Å²	120	120.7 Å²	120.7	84%	0.839	64%	0.637	S	S	*	*			trans	57.1	83	174.4	52	0	0	0	0	117.6
175	L	24.4	Very low	29.1	Very low	123 Å²	123	119.7 Å²	119.7	64%	0.644	62%	0.618	S	S	*	*			trans	-148.2	142.2	156.2	-143.3	99.4	0	0	0	110.2	R177	L175-R177 PolarHBondContact O-N 3.04Å
176	P	26.2	Very low	30.2	Very low	118 Å²	118	117.4 Å²	117.4	77%	0.766	60%	0.599	S	S	*	*			trans	-62.5	130.9	171.1	-23.5	35.1	0	0	0	112	R178	P176-R178 PolarHBondContact O-N 3.23Å
177	R	25.9	Very low	30.6	Very low	250 Å²	250	117 Å²	117	94%	0.943	59%	0.589	S	S	*	*	S	Bend	trans	-78.7	80.5	-175.1	-67.8	178.1	173.2	176.1	-2.8	112.8	L175	L175-R177 PolarHBondContact O-N 3.04Å
178	R	32.1	Very low	31.4	Very low	210 Å²	210	108.5 Å²	108.5	79%	0.792	56%	0.557	S	S	*	*			trans	-149.2	30.2	168.3	-109.2	178.8	-165.3	-168.5	4.7	115.5	P176 E652	P176-R178 PolarHBondContact O-N 3.23Å; R178-E652 IonicContact CZ-OE1 3.02Å; R178-E652 IonicContact NH1-OE1 3.22Å; R178-E652 PolarHBondContact NH1-OE1 2.97Å; R178-E652 IonicContact NH2-OE1 2.65Å
179	I	34.8	Very low	32.5	Very low	63 Å²	63	106.4 Å²	106.4	32%	0.323	55%	0.548	S	S	.	.			trans	-129.2	116.5	169.7	-53.5	178.5	0	0	0	110.2	S183 R186 Y231	I179-S183 WeakPolarHBondContact CG2-OG 3.48Å; I179-R186 HydrophobicContact CG2-CB 4.14Å; I179-R186 PolarHBondContact O-NH1 3.17Å; I179-Y231 HydrophobicContact CD1-CE1 3.92Å
180	S	36.3	Very low	33.5	Very low	40 Å²	40	105.9 Å²	105.9	28%	0.28	54%	0.541	S	S	.	.			trans	-66.2	162.8	175.3	58.1	0	0	0	0	112.7	N182 R186	S180-N182 VanDerWaalsContact C-N 3.28Å; S180-N182 PolarHBondContact O-N 3.49Å; S180-R186 WeakPolarHBondContact O-CD 3.35Å; S180-R186 PolarHBondContact O-NH1 3.41Å
181	S	38.3	Very low	34.3	Very low	87 Å²	87	100.5 Å²	100.5	61%	0.608	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.8	176.5	45.7	0	0	0	0	112.9
182	N	36.6	Very low	35.1	Very low	121 Å²	121	96 Å²	96	65%	0.647	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.6	-169.2	-66.3	6.5	0	0	0	114.4	S180 I184 K187	S180-N182 VanDerWaalsContact C-N 3.28Å; S180-N182 PolarHBondContact O-N 3.49Å; N182-I184 PolarHBondContact O-N 3.21Å; N182-K187 WeakPolarHBondContact O-CE 3.26Å
183	S	40.3	Very low	35.8	Very low	30 Å²	30	96 Å²	96	21%	0.21	47%	0.473	C	S	.	.			trans	-62.2	138.1	-175.5	75.7	0	0	0	0	111.4	I179 L185 R186 K187	I179-S183 WeakPolarHBondContact CG2-OG 3.48Å; S183-L185 PolarHBondContact O-N 3.41Å; S183-R186 WeakPolarHBondContact O-CA 3.4Å; S183-R186 WeakPolarHBondContact O-CB 3.48Å; S183-R186 PolarHBondContact O-N 3.27Å; S183-R186 WeakPolarHBondContact OG-CB 3.14Å; S183-R186 PolarHBondContact OG-N 2.82Å; S183-K187 PolarHBondContact O-N 3.2Å
184	I	40.4	Very low	36.5	Very low	29 Å²	29	93 Å²	93	15%	0.149	46%	0.457	C	S	.	.	H	α-helix	trans	-50.7	-42.1	174.4	-76.8	172.1	0	0	0	110.2	N182 R186 K187 L188 I274	N182-I184 PolarHBondContact O-N 3.21Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.17Å; I184-K187 PolarHBondContact O-N 2.69Å; I184-K187 VanDerWaalsContact O-N 3.14Å; I184-L188 HydrophobicContact CG2-CD1 3.29Å; I184-L188 HydrophobicContact CG2-CG 4.12Å; I184-L188 WeakPolarHBondContact O-CB 3.49Å; I184-L188 VanDerWaalsContact O-CD1 3.3Å; I184-L188 WeakPolarHBondContact O-CD1 3.41Å; I184-L188 VanDerWaalsContact O-CG 3.27Å; I184-L188 WeakPolarHBondContact O-CG 3.4Å; I184-L188 PolarHBondContact O-N 3.15Å; I184-I274 HydrophobicContact CB-CD1 3.98Å; I184-I274 HydrophobicContact CD1-CD1 4.35Å; I184-I274 HydrophobicContact CD1-CG1 4.47Å; I184-I274 HydrophobicContact CD1-CG2 3.97Å; I184-I274 HydrophobicContact CG2-CD1 3.56Å; I184-I274 HydrophobicContact CG2-CG1 4.35Å
185	L	39.7	Very low	37	Very low	35 Å²	35	93.8 Å²	93.8	18%	0.183	45%	0.452	C	S	.	.	H	α-helix	trans	-58.1	-36.2	176.4	-144.8	160.6	0	0	0	112.9	S183 H189 R229 N230 V239	S183-L185 PolarHBondContact O-N 3.41Å; L185-H189 WeakPolarHBondContact O-CB 3.49Å; L185-H189 PolarHBondContact O-N 3.48Å; L185-H189 VanDerWaalsContact O-N 3.09Å; L185-R229 HydrophobicContact CD2-CB 4.36Å; L185-R229 HydrophobicContact CD2-CG 4.34Å; L185-N230 HydrophobicContact CD1-CB 4.35Å; L185-V239 HydrophobicContact CD1-CG2 4.18Å; L185-V239 HydrophobicContact CG-CG2 4.33Å
186	R	43	Very low	37.4	Very low	103 Å²	103	93.3 Å²	93.3	39%	0.389	46%	0.459	S	S	.	.	H	α-helix	trans	-78.3	-38.8	173.7	-164.9	174.1	-172	152.6	1.3	112.5	I179 S180 S183 I184 H189 H190	I179-R186 HydrophobicContact CG2-CB 4.14Å; I179-R186 PolarHBondContact O-NH1 3.17Å; S180-R186 WeakPolarHBondContact O-CD 3.35Å; S180-R186 PolarHBondContact O-NH1 3.41Å; S183-R186 WeakPolarHBondContact O-CA 3.4Å; S183-R186 WeakPolarHBondContact O-CB 3.48Å; S183-R186 PolarHBondContact O-N 3.27Å; S183-R186 WeakPolarHBondContact OG-CB 3.14Å; S183-R186 PolarHBondContact OG-N 2.82Å; I184-R186 VanDerWaalsContact C-N 3.29Å; I184-R186 PolarHBondContact O-N 3.17Å; R186-H189 PolarHBondContact O-N 2.74Å; R186-H190 PolarHBondContact O-CD2 2.89Å; R186-H190 PolarHBondContact O-N 2.87Å
187	K	43.7	Very low	37.8	Very low	71 Å²	71	89 Å²	89	31%	0.309	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-51.1	173.6	-66.7	-178.7	-176.7	177.7	0	111.4	N182 S183 I184 H189 H190 L191 N296 D297	N182-K187 WeakPolarHBondContact O-CE 3.26Å; S183-K187 PolarHBondContact O-N 3.2Å; I184-K187 PolarHBondContact O-N 2.69Å; I184-K187 VanDerWaalsContact O-N 3.14Å; K187-H189 VanDerWaalsContact C-N 3.31Å; K187-H189 PolarHBondContact O-N 2.72Å; K187-H190 CarbonylContact O-C 3.37Å; K187-H190 WeakPolarHBondContact O-CA 3.26Å; K187-H190 WeakPolarHBondContact O-CB 3.43Å; K187-H190 PolarHBondContact O-N 3.47Å; K187-L191 PolarHBondContact O-N 2.85Å; K187-N296 PolarHBondContact NZ-O 2.93Å; K187-D297 IonicContact NZ-OD1 3.52Å; K187-D297 PolarHBondContact NZ-OD1 2.86Å; K187-D297 IonicContact NZ-OD2 2.61Å
188	L	41.2	Very low	38.2	Very low	17 Å²	17	80.5 Å²	80.5	9%	0.089	40%	0.402	C	S	.	.	H	α-helix	trans	-62.3	-38.2	175.3	-66.8	154.4	0	0	0	111.8	I184 H190 L191 V192 V227 F241	I184-L188 HydrophobicContact CG2-CD1 3.29Å; I184-L188 HydrophobicContact CG2-CG 4.12Å; I184-L188 WeakPolarHBondContact O-CB 3.49Å; I184-L188 VanDerWaalsContact O-CD1 3.3Å; I184-L188 WeakPolarHBondContact O-CD1 3.41Å; I184-L188 VanDerWaalsContact O-CG 3.27Å; I184-L188 WeakPolarHBondContact O-CG 3.4Å; I184-L188 PolarHBondContact O-N 3.15Å; L188-H190 VanDerWaalsContact C-N 3.26Å; L188-H190 PolarHBondContact O-N 2.85Å; L188-L191 HydrophobicContact CD2-CD1 4.27Å; L188-L191 WeakPolarHBondContact O-CA 3.44Å; L188-L191 WeakPolarHBondContact O-CB 3.43Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-V192 PolarHBondContact O-N 3.32Å; L188-V227 HydrophobicContact CB-CG1 4.46Å; L188-V227 HydrophobicContact CB-CG2 3.76Å; L188-F241 HydrophobicContact CB-CE1 4.2Å; L188-F241 HydrophobicContact CD1-CE1 3.57Å; L188-F241 HydrophobicContact CD1-CZ 3.44Å; L188-F241 VanDerWaalsContact CD1-CZ 3.44Å; L188-F241 HydrophobicContact CD2-CE1 3.72Å; L188-F241 HydrophobicContact CD2-CZ 4.03Å; L188-F241 HydrophobicContact CG-CE1 4.05Å; L188-F241 HydrophobicContact CG-CZ 4.3Å
189	H	44.1	Very low	38.3	Very low	39 Å²	39	76.4 Å²	76.4	18%	0.181	39%	0.387	C	S	.	.	H	α-helix	trans	-63.1	-31.9	171.2	177.2	-98.9	0	0	0	112.3	L185 R186 K187 K193 R229	L185-H189 WeakPolarHBondContact O-CB 3.49Å; L185-H189 PolarHBondContact O-N 3.48Å; L185-H189 VanDerWaalsContact O-N 3.09Å; R186-H189 PolarHBondContact O-N 2.74Å; K187-H189 VanDerWaalsContact C-N 3.31Å; K187-H189 PolarHBondContact O-N 2.72Å; H189-K193 WeakPolarHBondContact O-CB 3.4Å; H189-K193 PolarHBondContact O-N 2.79Å; H189-R229 PolarHBondContact CD2-NE 3.09Å; H189-R229 PolarHBondContact CE1-NH2 3.21Å; H189-R229 PolarHBondContact NE2-NH2 3.37Å
190	H	43.7	Very low	38.7	Very low	110 Å²	110	74.3 Å²	74.3	51%	0.509	38%	0.378	S	S	.	.	H	α-helix	trans	-72.9	-25.6	169.6	-82.5	-75.3	0	0	0	113.7	R186 K187 L188	R186-H190 PolarHBondContact O-CD2 2.89Å; R186-H190 PolarHBondContact O-N 2.87Å; K187-H190 CarbonylContact O-C 3.37Å; K187-H190 WeakPolarHBondContact O-CA 3.26Å; K187-H190 WeakPolarHBondContact O-CB 3.43Å; K187-H190 PolarHBondContact O-N 3.47Å; L188-H190 VanDerWaalsContact C-N 3.26Å; L188-H190 PolarHBondContact O-N 2.85Å
191	L	38.5	Very low	39.3	Very low	71 Å²	71	73.9 Å²	73.9	37%	0.372	37%	0.372	S	S	.	.	H	α-helix	trans	-70.9	-37.4	170.8	-62.4	172.2	0	0	0	111.4	K187 L188 I201	K187-L191 PolarHBondContact O-N 2.85Å; L188-L191 HydrophobicContact CD2-CD1 4.27Å; L188-L191 WeakPolarHBondContact O-CA 3.44Å; L188-L191 WeakPolarHBondContact O-CB 3.43Å; L188-L191 PolarHBondContact O-N 2.92Å; L191-I201 HydrophobicContact CB-CD1 4.39Å; L191-I201 HydrophobicContact CD1-CD1 3.72Å; L191-I201 HydrophobicContact CD2-CD1 3.72Å; L191-I201 HydrophobicContact CG-CD1 4.13Å
192	V	39.6	Very low	39.9	Very low	34 Å²	34	70.4 Å²	70.4	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-81.9	-25.7	172.7	168.4	0	0	0	0	113.2	L188 R194 N195 V227	L188-V192 PolarHBondContact O-N 3.32Å; V192-R194 PolarHBondContact O-N 2.9Å; V192-R194 VanDerWaalsContact O-N 3.08Å; V192-N195 PolarHBondContact O-OD1 3.32Å; V192-V227 HydrophobicContact CB-CG2 4.31Å; V192-V227 HydrophobicContact CG2-CG2 3.78Å
193	K	36.7	Very low	40.7	Very low	150 Å²	150	65.3 Å²	65.3	65%	0.652	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	8.4	170.1	-112.4	-154.4	173.3	-150.7	0	113.9	H189	H189-K193 WeakPolarHBondContact O-CB 3.4Å; H189-K193 PolarHBondContact O-N 2.79Å
194	R	37.8	Very low	41.1	Very low	132 Å²	132	65.1 Å²	65.1	50%	0.498	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	27	177.6	-96.8	179.8	173.7	-119.6	6.1	113.3	V192 S196 S197	V192-R194 PolarHBondContact O-N 2.9Å; V192-R194 VanDerWaalsContact O-N 3.08Å; R194-S196 PolarHBondContact O-N 2.89Å; R194-S197 WeakPolarHBondContact CB-OG 3.34Å; R194-S197 WeakPolarHBondContact CD-OG 3.34Å; R194-S197 WeakPolarHBondContact CG-OG 3.48Å; R194-S197 PolarHBondContact NH1-OG 2.9Å; R194-S197 PolarHBondContact O-N 2.81Å; R194-S197 PolarHBondContact O-OG 3.24Å
195	N	34.1	Very low	41.7	Very low	137 Å²	137	64.7 Å²	64.7	73%	0.733	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-18.1	162	-73.9	27.5	0	0	0	113.3	V192	V192-N195 PolarHBondContact O-OD1 3.32Å
196	S	31.7	Very low	42	Very low	113 Å²	113	68 Å²	68	79%	0.79	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	39	172.9	69.2	0	0	0	0	112.7	R194	R194-S196 PolarHBondContact O-N 2.89Å
197	S	35.9	Very low	42.2	Very low	28 Å²	28	64.7 Å²	64.7	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	-143.6	141.2	168.6	82.4	0	0	0	0	111.3	R194 R199	R194-S197 WeakPolarHBondContact CB-OG 3.34Å; R194-S197 WeakPolarHBondContact CD-OG 3.34Å; R194-S197 WeakPolarHBondContact CG-OG 3.48Å; R194-S197 PolarHBondContact NH1-OG 2.9Å; R194-S197 PolarHBondContact O-N 2.81Å; R194-S197 PolarHBondContact O-OG 3.24Å; S197-R199 PolarHBondContact O-N 3.47Å
198	E	34.2	Very low	42	Very low	71 Å²	71	66.1 Å²	66.1	33%	0.332	33%	0.329	S	S	.	.	S	Bend	trans	-63.6	18	-170.3	-54.3	171.4	-165.4	0	0	116.9	Y154 K334 H335	Y154-E198 PolarHBondContact OH-OE1 2.78Å; E198-K334 CarbonylContact O-C 3.41Å; E198-K334 WeakPolarHBondContact O-CA 3.22Å; E198-K334 IonicContact OE2-NZ 3.22Å; E198-K334 PolarHBondContact OE2-NZ 3.35Å; E198-H335 HydrophobicContact CB-CB 4.48Å; E198-H335 PolarHBondContact O-N 3.18Å
199	R	32.9	Very low	41.8	Very low	124 Å²	124	71.8 Å²	71.8	47%	0.468	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	104.8	-177.3	-60.2	-173.3	-164.1	-168	6.4	113.7	S197 L333 K334	S197-R199 PolarHBondContact O-N 3.47Å; R199-L333 VanDerWaalsContact CA-O 3.3Å; R199-L333 WeakPolarHBondContact CA-O 3.49Å; R199-K334 HydrophobicContact CG-CG 4.49Å
200	S	44.7	Very low	41.4	Very low	19 Å²	19	75.2 Å²	75.2	13%	0.133	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	161	172.4	44.4	0	0	0	0	111.8	W202 L333	S200-W202 PolarHBondContact OG-NE1 2.94Å; S200-L333 PolarHBondContact N-O 3.22Å; S200-L333 PolarHBondContact O-N 2.83Å
201	I	47.7	Very low	41	Very low	31 Å²	31	75.9 Å²	75.9	16%	0.159	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.1	177.3	-69.7	174.5	0	0	0	109.8	L191 I224 V330 R332	L191-I201 HydrophobicContact CB-CD1 4.39Å; L191-I201 HydrophobicContact CD1-CD1 3.72Å; L191-I201 HydrophobicContact CD2-CD1 3.72Å; L191-I201 HydrophobicContact CG-CD1 4.13Å; I201-I224 HydrophobicContact CB-CD1 4.45Å; I201-I224 HydrophobicContact CG2-CD1 3.81Å; I201-I224 PolarHBondContact O-N 2.62Å; I201-I224 VanDerWaalsContact O-N 3.16Å; I201-V330 HydrophobicContact CG2-CG1 3.93Å; I201-R332 HydrophobicContact CG1-CG 3.84Å
202	W	51.6	Low	40.9	Very low	14 Å²	14	81 Å²	81	5%	0.053	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.1	-169.9	-58.1	75.6	0	0	0	110.1	S200 T221 F222 Q223 V246 E331 L333 L338	S200-W202 PolarHBondContact OG-NE1 2.94Å; W202-T221 HydrophobicContact CE3-CG2 3.54Å; W202-T221 HydrophobicContact CZ3-CG2 4Å; W202-F222 CarbonylContact C-O 3.5Å; W202-F222 WeakPolarHBondContact CA-O 3.46Å; W202-Q223 HydrophobicContact CE3-CB 4.37Å; W202-Q223 HydrophobicContact CZ3-CB 4.48Å; W202-V246 HydrophobicContact CE3-CG2 4.48Å; W202-V246 HydrophobicContact CH2-CG2 4.33Å; W202-V246 HydrophobicContact CZ3-CB 3.93Å; W202-V246 HydrophobicContact CZ3-CG1 4.05Å; W202-V246 HydrophobicContact CZ3-CG2 3.68Å; W202-E331 PolarHBondContact N-O 3.5Å; W202-E331 PolarHBondContact O-N 3.13Å; W202-L333 HydrophobicContact CD2-CD1 4.08Å; W202-L333 HydrophobicContact CG-CD1 4.22Å; W202-L333 HydrophobicContact CG-CG 4.47Å; W202-L333 HydrophobicContact CZ2-CD1 4.27Å; W202-L338 HydrophobicContact CH2-CD1 3.85Å; W202-L338 HydrophobicContact CH2-CD2 4.36Å; W202-L338 HydrophobicContact CH2-CG 4.37Å; W202-L338 HydrophobicContact CZ2-CD1 3.57Å; W202-L338 HydrophobicContact CZ2-CG 4.25Å
203	L	52.3	Low	41	Very low	13 Å²	13	81.8 Å²	81.8	7%	0.068	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.7	179.2	-61.1	173.7	0	0	0	109	T221 F222 I224 L270 I306 F328 W329 V330	L203-T221 CarbonylContact O-C 3.55Å; L203-T221 WeakPolarHBondContact O-CA 3.28Å; L203-F222 HydrophobicContact CB-CB 4.36Å; L203-F222 PolarHBondContact N-O 2.83Å; L203-F222 PolarHBondContact O-N 3.25Å; L203-I224 HydrophobicContact CD1-CD1 3.95Å; L203-I224 HydrophobicContact CD1-CG1 4.01Å; L203-I224 HydrophobicContact CD2-CD1 4.46Å; L203-I224 HydrophobicContact CG-CD1 4.09Å; L203-I224 HydrophobicContact CG-CG1 4.21Å; L203-L270 HydrophobicContact CD1-CD1 3.61Å; L203-I306 HydrophobicContact CD1-CD1 4.18Å; L203-F328 HydrophobicContact CB-CB 4.3Å; L203-F328 HydrophobicContact CB-CD1 3.82Å; L203-F328 HydrophobicContact CB-CG 4.44Å; L203-W329 WeakPolarHBondContact CA-O 2.86Å; L203-V330 HydrophobicContact CD2-CG1 4.46Å; L203-V330 HydrophobicContact CD2-CG2 3.9Å
204	H	50.2	Low	41	Very low	26 Å²	26	78.2 Å²	78.2	12%	0.12	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	107.9	-177.6	-56.8	-98.1	0	0	0	110.3	K220 T221 F328 W329 E331	H204-K220 CarbonylContact C-O 3.58Å; H204-K220 WeakPolarHBondContact CA-O 3.23Å; H204-T221 VanDerWaalsContact CE1-CG2 3.46Å; H204-T221 WeakPolarHBondContact CE1-CG2 3.28Å; H204-T221 PolarHBondContact ND1-OG1 3.05Å; H204-F328 CarbonylContact O-C 3.6Å; H204-F328 WeakPolarHBondContact O-CA 3.46Å; H204-W329 HydrophobicContact CB-CE3 4.05Å; H204-W329 AromaticContact CD2-CE3 3.51Å; H204-W329 AromaticContact CD2-CZ3 3.81Å; H204-W329 AromaticContact CG-CE3 3.85Å; H204-W329 PolarHBondContact N-O 2.6Å; H204-W329 PolarHBondContact O-N 3.47Å; H204-E331 IonicContact NE2-OE2 3.5Å
205	Q	52	Low	41.1	Very low	21 Å²	21	77.4 Å²	77.4	10%	0.098	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	139	171.8	-163.3	-176.8	4	0	0	109.2	S219 K220 F222 S326 F328	Q205-S219 CarbonylContact O-C 3.55Å; Q205-S219 VanDerWaalsContact O-CA 3.24Å; Q205-S219 WeakPolarHBondContact O-CA 3.13Å; Q205-K220 HydrophobicContact CB-CB 4.24Å; Q205-K220 PolarHBondContact N-O 3.27Å; Q205-K220 PolarHBondContact O-N 3.41Å; Q205-F222 HydrophobicContact CB-CE2 4.07Å; Q205-S326 PolarHBondContact NE2-OG 3.11Å; Q205-S326 VanDerWaalsContact NE2-OG 3.12Å; Q205-F328 HydrophobicContact CB-CD1 3.81Å; Q205-F328 HydrophobicContact CB-CE1 3.6Å; Q205-F328 HydrophobicContact CB-CZ 4.1Å; Q205-F328 HydrophobicContact CG-CD1 4.42Å; Q205-F328 HydrophobicContact CG-CE1 4.01Å; Q205-F328 HydrophobicContact CG-CE2 4.36Å; Q205-F328 HydrophobicContact CG-CZ 3.96Å
206	R	47.1	Very low	41.4	Very low	103 Å²	103	76.9 Å²	76.9	39%	0.389	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.8	162.3	-86.3	-176.2	168.9	-173	-4.4	109.6
207	S	46.6	Very low	41.9	Very low	34 Å²	34	73.2 Å²	73.2	24%	0.238	38%	0.376	C	S	.	.			trans	-69.4	134.6	172.2	-174.7	0	0	0	0	111.4	Q209 T218	S207-Q209 PolarHBondContact OG-N 3.13Å; S207-T218 WeakPolarHBondContact CB-OG1 3.43Å; S207-T218 PolarHBondContact N-O 3.26Å
208	T	40.5	Very low	42.4	Very low	101 Å²	101	76.2 Å²	76.2	62%	0.62	39%	0.393	S	S	*	.			trans	-95.7	-2.9	174.9	51.1	0	0	0	0	113.3
209	Q	36.8	Very low	43	Very low	136 Å²	136	76 Å²	76	64%	0.636	40%	0.4	S	S	*	.	S	Bend	trans	-70.9	133.5	173	-72.4	175.2	-45.2	0	0	109.7	S207	S207-Q209 PolarHBondContact OG-N 3.13Å
210	N	35	Very low	44.1	Very low	111 Å²	111	72.8 Å²	72.8	59%	0.594	39%	0.389	S	S	*	.			trans	64	76.9	-172.8	-60	-27	0	0	0	115.3	L212	N210-L212 PolarHBondContact O-N 3.14Å
211	I	35.9	Very low	44.5	Very low	125 Å²	125	72.8 Å²	72.8	64%	0.641	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.1	170.6	-60	170.2	0	0	0	112.5	C366	I211-C366 HydrophobicContact CG2-CB 4.35Å
212	L	36.6	Very low	44.8	Very low	179 Å²	179	71.5 Å²	71.5	94%	0.937	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.5	-171.1	-71.5	167.7	0	0	0	115.5	N210	N210-L212 PolarHBondContact O-N 3.14Å
213	D	41	Very low	44.9	Very low	50 Å²	50	72 Å²	72	27%	0.267	38%	0.384	S	S	.	.			trans	-142.4	96.9	-176	-176.3	-5.8	0	0	0	111.2	T215 K216	D213-T215 PolarHBondContact O-N 2.9Å; D213-T215 WeakPolarHBondContact OD1-CB 3.47Å; D213-T215 PolarHBondContact OD1-N 2.84Å; D213-T215 VanDerWaalsContact OD1-N 3.11Å; D213-T215 PolarHBondContact OD1-OG1 3.21Å; D213-T215 PolarHBondContact OD2-OG1 3.41Å; D213-K216 PolarHBondContact O-N 3.24Å; D213-K216 WeakPolarHBondContact OD2-CE 3.5Å; D213-K216 IonicContact OD2-NZ 2.62Å; D213-K216 PolarHBondContact OD2-NZ 3.32Å
214	S	36.8	Very low	45	Very low	74 Å²	74	73.4 Å²	73.4	52%	0.517	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-66.3	-9.9	-174.9	60.9	0	0	0	0	114.6	K216 H217	S214-K216 VanDerWaalsContact C-N 3.3Å; S214-H217 PolarHBondContact O-CD2 2.94Å
215	T	40	Very low	44.9	Very low	116 Å²	116	74.7 Å²	74.7	71%	0.712	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-74.8	-20.1	176.4	68.6	0	0	0	0	112.8	D213	D213-T215 PolarHBondContact O-N 2.9Å; D213-T215 WeakPolarHBondContact OD1-CB 3.47Å; D213-T215 PolarHBondContact OD1-N 2.84Å; D213-T215 VanDerWaalsContact OD1-N 3.11Å; D213-T215 PolarHBondContact OD1-OG1 3.21Å; D213-T215 PolarHBondContact OD2-OG1 3.41Å
216	K	39.6	Very low	44.5	Very low	126 Å²	126	81.6 Å²	81.6	55%	0.548	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-99.7	7.9	-172.7	-66.2	179.9	175.3	115.6	0	114.6	D213 S214 T218	D213-K216 PolarHBondContact O-N 3.24Å; D213-K216 WeakPolarHBondContact OD2-CE 3.5Å; D213-K216 IonicContact OD2-NZ 2.62Å; D213-K216 PolarHBondContact OD2-NZ 3.32Å; S214-K216 VanDerWaalsContact C-N 3.3Å; K216-T218 PolarHBondContact O-N 3.15Å
217	H	42.7	Very low	44.6	Very low	35 Å²	35	77.2 Å²	77.2	16%	0.162	41%	0.408	C	S	.	.			trans	-73.1	94.4	178.7	-65.8	-43	0	0	0	112.1	S214 S219	S214-H217 PolarHBondContact O-CD2 2.94Å; H217-S219 PolarHBondContact O-N 3.25Å
218	T	46.7	Very low	44.4	Very low	92 Å²	92	79.4 Å²	79.4	56%	0.564	41%	0.414	S	S	*	.			trans	-63.7	124.1	169.2	48.6	0	0	0	0	110.7	S207 K216	S207-T218 WeakPolarHBondContact CB-OG1 3.43Å; S207-T218 PolarHBondContact N-O 3.26Å; K216-T218 PolarHBondContact O-N 3.15Å
219	S	47.5	Very low	44.4	Very low	67 Å²	67	79.9 Å²	79.9	47%	0.469	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129	172.8	56.6	0	0	0	0	110.8	Q205 H217	Q205-S219 CarbonylContact O-C 3.55Å; Q205-S219 VanDerWaalsContact O-CA 3.24Å; Q205-S219 WeakPolarHBondContact O-CA 3.13Å; H217-S219 PolarHBondContact O-N 3.25Å
220	K	54.7	Low	44.6	Very low	56 Å²	56	76.3 Å²	76.3	24%	0.243	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.7	177.5	-67.2	169.9	162.4	-82.6	0	109.7	H204 Q205 F222 E245	H204-K220 CarbonylContact C-O 3.58Å; H204-K220 WeakPolarHBondContact CA-O 3.23Å; Q205-K220 HydrophobicContact CB-CB 4.24Å; Q205-K220 PolarHBondContact N-O 3.27Å; Q205-K220 PolarHBondContact O-N 3.41Å; K220-F222 HydrophobicContact CB-CD2 4.44Å; K220-F222 HydrophobicContact CB-CE2 3.53Å; K220-F222 HydrophobicContact CB-CZ 3.9Å; K220-F222 HydrophobicContact CD-CZ 4.3Å; K220-E245 WeakPolarHBondContact CD-OE1 3.36Å; K220-E245 VanDerWaalsContact CG-OE1 3.31Å; K220-E245 WeakPolarHBondContact CG-OE1 3.45Å; K220-E245 IonicContact NZ-OE1 3.84Å; K220-E245 PolarHBondContact NZ-OE1 2.9Å; K220-E245 IonicContact NZ-OE2 2.61Å
221	T	53	Low	44.6	Very low	18 Å²	18	76.7 Å²	76.7	11%	0.11	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.9	-176	-63.6	0	0	0	0	109.5	W202 L203 H204 E245 V246	W202-T221 HydrophobicContact CE3-CG2 3.54Å; W202-T221 HydrophobicContact CZ3-CG2 4Å; L203-T221 CarbonylContact O-C 3.55Å; L203-T221 WeakPolarHBondContact O-CA 3.28Å; H204-T221 VanDerWaalsContact CE1-CG2 3.46Å; H204-T221 WeakPolarHBondContact CE1-CG2 3.28Å; H204-T221 PolarHBondContact ND1-OG1 3.05Å; T221-E245 CarbonylContact O-C 3.54Å; T221-E245 WeakPolarHBondContact O-CA 3.3Å; T221-V246 PolarHBondContact O-N 3.43Å
222	F	54.8	Low	44.3	Very low	4 Å²	4	75 Å²	75	2%	0.018	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.2	-175.8	-57.9	-98.3	0	0	0	112	W202 L203 Q205 K220 V243 R244 E245 F328	W202-F222 CarbonylContact C-O 3.5Å; W202-F222 WeakPolarHBondContact CA-O 3.46Å; L203-F222 HydrophobicContact CB-CB 4.36Å; L203-F222 PolarHBondContact N-O 2.83Å; L203-F222 PolarHBondContact O-N 3.25Å; Q205-F222 HydrophobicContact CB-CE2 4.07Å; K220-F222 HydrophobicContact CB-CD2 4.44Å; K220-F222 HydrophobicContact CB-CE2 3.53Å; K220-F222 HydrophobicContact CB-CZ 3.9Å; K220-F222 HydrophobicContact CD-CZ 4.3Å; F222-V243 HydrophobicContact CB-CB 4.16Å; F222-V243 HydrophobicContact CB-CG2 4.05Å; F222-V243 HydrophobicContact CD1-CG2 3.73Å; F222-V243 HydrophobicContact CG-CG2 4.24Å; F222-R244 CarbonylContact C-O 3.56Å; F222-R244 VanDerWaalsContact CA-O 3.28Å; F222-R244 WeakPolarHBondContact CA-O 3.38Å; F222-E245 HydrophobicContact CD1-CB 3.69Å; F222-E245 HydrophobicContact CD1-CG 4.13Å; F222-E245 HydrophobicContact CE1-CB 3.59Å; F222-E245 HydrophobicContact CE1-CG 3.78Å; F222-E245 HydrophobicContact CZ-CB 4.47Å; F222-E245 HydrophobicContact CZ-CG 4.17Å; F222-F328 HydrophobicContact CD2-CD1 4.32Å; F222-F328 AromaticContact CD2-CE1 3.72Å; F222-F328 HydrophobicContact CD2-CE1 3.72Å; F222-F328 AromaticContact CE2-CE1 3.67Å; F222-F328 HydrophobicContact CE2-CE1 3.67Å; F222-F328 HydrophobicContact CE2-CZ 4.47Å
223	Q	52.6	Low	43.9	Very low	26 Å²	26	74 Å²	74	12%	0.121	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.3	171.2	-176.1	-170.2	22	0	0	109.7	W202 L225 V243 R244 V246	W202-Q223 HydrophobicContact CE3-CB 4.37Å; W202-Q223 HydrophobicContact CZ3-CB 4.48Å; Q223-L225 HydrophobicContact CG-CD2 4.16Å; Q223-L225 PolarHBondContact O-N 3.47Å; Q223-V243 CarbonylContact O-C 3.45Å; Q223-V243 WeakPolarHBondContact O-CA 3.39Å; Q223-V243 WeakPolarHBondContact O-CB 3.31Å; Q223-R244 PolarHBondContact N-O 3.5Å; Q223-R244 PolarHBondContact O-N 3.21Å; Q223-V246 HydrophobicContact CB-CG2 3.98Å
224	I	54.1	Low	43.3	Very low	42 Å²	42	75.9 Å²	75.9	22%	0.215	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120	175	-54.5	179.6	0	0	0	109.9	I201 L203 F241 V243	I201-I224 HydrophobicContact CB-CD1 4.45Å; I201-I224 HydrophobicContact CG2-CD1 3.81Å; I201-I224 PolarHBondContact O-N 2.62Å; I201-I224 VanDerWaalsContact O-N 3.16Å; L203-I224 HydrophobicContact CD1-CD1 3.95Å; L203-I224 HydrophobicContact CD1-CG1 4.01Å; L203-I224 HydrophobicContact CD2-CD1 4.46Å; L203-I224 HydrophobicContact CG-CD1 4.09Å; L203-I224 HydrophobicContact CG-CG1 4.21Å; I224-F241 HydrophobicContact CG2-CD1 4.5Å; I224-V243 HydrophobicContact CG1-CG1 4.17Å
225	L	48	Very low	43.1	Very low	52 Å²	52	76.3 Å²	76.3	27%	0.272	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-42.2	-177.1	-65.5	-177.9	0	0	0	113.9	Q223 G242 R244 F267	Q223-L225 HydrophobicContact CG-CD2 4.16Å; Q223-L225 PolarHBondContact O-N 3.47Å; L225-G242 PolarHBondContact N-O 3.49Å; L225-R244 HydrophobicContact CD1-CB 3.56Å; L225-R244 HydrophobicContact CG-CB 3.99Å; L225-F267 HydrophobicContact CD1-CD1 3.67Å; L225-F267 HydrophobicContact CD1-CE1 3.42Å; L225-F267 VanDerWaalsContact CD1-CE1 3.42Å
226	R	44.4	Very low	42.9	Very low	166 Å²	166	75.3 Å²	75.3	63%	0.626	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.4	125.1	-169.7	-169.7	172.5	-177.8	168.5	-0.1	112.6	F241 G242	R226-F241 CarbonylContact O-C 3.49Å; R226-F241 WeakPolarHBondContact O-CA 3.26Å; R226-G242 PolarHBondContact N-O 2.96Å; R226-G242 PolarHBondContact O-N 3.22Å
227	V	49.7	Very low	42.8	Very low	11 Å²	11	71.1 Å²	71.1	7%	0.067	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.8	165	-170.1	0	0	0	0	108.5	L188 V192 R229 V239 F241	L188-V227 HydrophobicContact CB-CG1 4.46Å; L188-V227 HydrophobicContact CB-CG2 3.76Å; V192-V227 HydrophobicContact CB-CG2 4.31Å; V192-V227 HydrophobicContact CG2-CG2 3.78Å; V227-R229 PolarHBondContact O-N 2.93Å; V227-V239 HydrophobicContact CG1-CG1 3.9Å; V227-F241 HydrophobicContact CB-CD1 4.41Å; V227-F241 HydrophobicContact CB-CE1 4.41Å; V227-F241 HydrophobicContact CG1-CD1 4.28Å; V227-F241 HydrophobicContact CG1-CE1 3.91Å; V227-F241 HydrophobicContact CG2-CD1 4.06Å; V227-F241 HydrophobicContact CG2-CE1 3.98Å
228	F	42.6	Very low	42.7	Very low	80 Å²	80	72.3 Å²	72.3	35%	0.351	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	107.2	167.7	-67.2	-79	0	0	0	108.3	N230 A240 G242 I269	F228-N230 PolarHBondContact O-N 3.27Å; F228-N230 VanDerWaalsContact O-N 3.13Å; F228-A240 HydrophobicContact CB-CB 4.17Å; F228-A240 HydrophobicContact CD2-CB 4.07Å; F228-A240 PolarHBondContact N-O 3.18Å; F228-G242 VanDerWaalsContact CE2-N 3.33Å; F228-I269 HydrophobicContact CD2-CG2 4.37Å; F228-I269 HydrophobicContact CE2-CD1 3.72Å; F228-I269 HydrophobicContact CE2-CG1 3.96Å; F228-I269 HydrophobicContact CE2-CG2 4.14Å; F228-I269 HydrophobicContact CZ-CD1 3.88Å; F228-I269 HydrophobicContact CZ-CG1 4.44Å
229	R	40.8	Very low	42.6	Very low	111 Å²	111	68.1 Å²	68.1	42%	0.419	35%	0.354	S	S	.	.			trans	-68.6	110.3	177.4	-61.9	-173.9	-169.5	163.6	11.1	109	L185 H189 V227 Y231	L185-R229 HydrophobicContact CD2-CB 4.36Å; L185-R229 HydrophobicContact CD2-CG 4.34Å; H189-R229 PolarHBondContact CD2-NE 3.09Å; H189-R229 PolarHBondContact CE1-NH2 3.21Å; H189-R229 PolarHBondContact NE2-NH2 3.37Å; V227-R229 PolarHBondContact O-N 2.93Å; R229-Y231 VanDerWaalsContact C-N 3.3Å; R229-Y231 HydrophobicContact CB-CD2 3.96Å; R229-Y231 HydrophobicContact CB-CE2 3.73Å; R229-Y231 VanDerWaalsContact CD-CE2 3.43Å; R229-Y231 WeakPolarHBondContact CD-OH 3.4Å; R229-Y231 HydrophobicContact CG-CE2 4.28Å; R229-Y231 PolarHBondContact NH1-OH 3.34Å; R229-Y231 PolarHBondContact O-N 3.36Å
230	N	40.7	Very low	42.5	Very low	62 Å²	62	65.6 Å²	65.6	33%	0.332	34%	0.337	S	S	.	.			trans	-63.4	93.3	164.7	-78.6	-43.9	0	0	0	108.6	L185 F228 L238 K422	L185-N230 HydrophobicContact CD1-CB 4.35Å; F228-N230 PolarHBondContact O-N 3.27Å; F228-N230 VanDerWaalsContact O-N 3.13Å; N230-L238 PolarHBondContact ND2-O 2.89Å; N230-K422 PolarHBondContact OD1-NZ 3.47Å
231	Y	35	Very low	42.3	Very low	119 Å²	119	63.3 Å²	63.3	47%	0.467	33%	0.328	S	S	.	.			trans	-96.3	156.7	152.2	-62.9	-63.9	0	0	0	108	I179 R229	I179-Y231 HydrophobicContact CD1-CE1 3.92Å; R229-Y231 VanDerWaalsContact C-N 3.3Å; R229-Y231 HydrophobicContact CB-CD2 3.96Å; R229-Y231 HydrophobicContact CB-CE2 3.73Å; R229-Y231 VanDerWaalsContact CD-CE2 3.43Å; R229-Y231 WeakPolarHBondContact CD-OH 3.4Å; R229-Y231 HydrophobicContact CG-CE2 4.28Å; R229-Y231 PolarHBondContact NH1-OH 3.34Å; R229-Y231 PolarHBondContact O-N 3.36Å
232	S	28.4	Very low	42	Very low	90 Å²	90	63 Å²	63	63%	0.629	33%	0.327	S	S	*	.	S	Bend	trans	56.2	95.2	-172.1	48.2	0	0	0	0	118.1	N234	S232-N234 VanDerWaalsContact C-N 3.33Å; S232-N234 PolarHBondContact O-N 2.96Å
233	D	28.2	Very low	41.8	Very low	156 Å²	156	62.8 Å²	62.8	83%	0.834	33%	0.326	S	S	*	.	S	Bend		65.7	3.6	123.9	-38.1	-34.8	0	0	0	120.5
234	N	29.6	Very low	41.6	Very low	91 Å²	91	64.7 Å²	64.7	49%	0.487	33%	0.333	S	S	.	.			trans	-132.6	119.7	179.8	-79.4	-100.2	0	0	0	114.1	S232 K422	S232-N234 VanDerWaalsContact C-N 3.33Å; S232-N234 PolarHBondContact O-N 2.96Å; N234-K422 VanDerWaalsContact O-CE 3.29Å; N234-K422 WeakPolarHBondContact O-CE 3.38Å; N234-K422 PolarHBondContact O-NZ 3.26Å
235	L	32.8	Very low	41.6	Very low	83 Å²	83	64 Å²	64	44%	0.435	33%	0.328	S	S	.	.			trans	66.4	104.3	175.2	-65.1	164.1	0	0	0	116.1
236	P	34.9	Very low	41.9	Very low	95 Å²	95	63.3 Å²	63.3	62%	0.617	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	165.6	158.6	-19.2	32.6	0	0	0	112.3	L238	P236-L238 PolarHBondContact O-N 3.34Å
237	G	37.4	Very low	42.1	Very low	37 Å²	37	59 Å²	59	38%	0.381	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	8.3	163.5	0	0	0	0	0	117.8	P273 I274	G237-P273 CarbonylContact O-C 3.57Å; G237-P273 WeakPolarHBondContact O-CA 3.36Å; G237-I274 WeakPolarHBondContact CA-O 3.28Å; G237-I274 PolarHBondContact O-N 3.34Å
238	L	41.3	Very low	41.7	Very low	60 Å²	60	62.3 Å²	62.3	31%	0.314	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	131.8	174.8	-80.2	166.1	0	0	0	111.8	N230 P236 P273	N230-L238 PolarHBondContact ND2-O 2.89Å; P236-L238 PolarHBondContact O-N 3.34Å; L238-P273 HydrophobicContact CD2-CB 4.41Å
239	V	44.5	Very low	41.5	Very low	4 Å²	4	66.7 Å²	66.7	2%	0.024	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.3	170.4	179.6	0	0	0	0	110.3	L185 V227 F241 L272 I274	L185-V239 HydrophobicContact CD1-CG2 4.18Å; L185-V239 HydrophobicContact CG-CG2 4.33Å; V227-V239 HydrophobicContact CG1-CG1 3.9Å; V239-F241 HydrophobicContact CB-CE2 4.02Å; V239-F241 HydrophobicContact CB-CZ 3.87Å; V239-F241 HydrophobicContact CG1-CE1 3.84Å; V239-F241 HydrophobicContact CG1-CE2 3.82Å; V239-F241 HydrophobicContact CG1-CZ 3.37Å; V239-F241 WeakPolarHBondContact O-CE2 3.19Å; V239-L272 PolarHBondContact N-O 2.83Å; V239-L272 VanDerWaalsContact N-O 3.14Å; V239-L272 PolarHBondContact O-N 3.07Å; V239-I274 HydrophobicContact CB-CD1 4.31Å; V239-I274 HydrophobicContact CG2-CD1 3.46Å; V239-I274 VanDerWaalsContact CG2-CD1 3.46Å; V239-I274 HydrophobicContact CG2-CG1 4.39Å
240	A	45.8	Very low	41.4	Very low	15 Å²	15	68.1 Å²	68.1	12%	0.124	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	139.5	-178.8	0	0	0	0	0	111.7	F228 I269 L270 L271	F228-A240 HydrophobicContact CB-CB 4.17Å; F228-A240 HydrophobicContact CD2-CB 4.07Å; F228-A240 PolarHBondContact N-O 3.18Å; A240-I269 HydrophobicContact CB-CG2 3.99Å; A240-L270 WeakPolarHBondContact CA-O 3.42Å; A240-L271 HydrophobicContact CB-CD2 3.64Å
241	F	50.6	Low	41	Very low	8 Å²	8	73.2 Å²	73.2	4%	0.035	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121	-178.2	-55.3	-83.4	0	0	0	110.9	L188 I224 R226 V227 V239 V243 I269 L270 L272	L188-F241 HydrophobicContact CB-CE1 4.2Å; L188-F241 HydrophobicContact CD1-CE1 3.57Å; L188-F241 HydrophobicContact CD1-CZ 3.44Å; L188-F241 VanDerWaalsContact CD1-CZ 3.44Å; L188-F241 HydrophobicContact CD2-CE1 3.72Å; L188-F241 HydrophobicContact CD2-CZ 4.03Å; L188-F241 HydrophobicContact CG-CE1 4.05Å; L188-F241 HydrophobicContact CG-CZ 4.3Å; I224-F241 HydrophobicContact CG2-CD1 4.5Å; R226-F241 CarbonylContact O-C 3.49Å; R226-F241 WeakPolarHBondContact O-CA 3.26Å; V227-F241 HydrophobicContact CB-CD1 4.41Å; V227-F241 HydrophobicContact CB-CE1 4.41Å; V227-F241 HydrophobicContact CG1-CD1 4.28Å; V227-F241 HydrophobicContact CG1-CE1 3.91Å; V227-F241 HydrophobicContact CG2-CD1 4.06Å; V227-F241 HydrophobicContact CG2-CE1 3.98Å; V239-F241 HydrophobicContact CB-CE2 4.02Å; V239-F241 HydrophobicContact CB-CZ 3.87Å; V239-F241 HydrophobicContact CG1-CE1 3.84Å; V239-F241 HydrophobicContact CG1-CE2 3.82Å; V239-F241 HydrophobicContact CG1-CZ 3.37Å; V239-F241 WeakPolarHBondContact O-CE2 3.19Å; F241-V243 HydrophobicContact CB-CG1 4.2Å; F241-V243 PolarHBondContact O-N 3.04Å; F241-I269 CarbonylContact O-C 3.42Å; F241-I269 VanDerWaalsContact O-CA 3.27Å; F241-I269 WeakPolarHBondContact O-CA 3.48Å; F241-L270 PolarHBondContact N-O 2.86Å; F241-L270 PolarHBondContact O-N 3.46Å; F241-L272 HydrophobicContact CD2-CB 4.34Å; F241-L272 HydrophobicContact CE2-CB 3.72Å; F241-L272 HydrophobicContact CE2-CD1 4.16Å
242	G	45.2	Very low	40.7	Very low	10 Å²	10	74 Å²	74	10%	0.103	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	118.6	161.2	0	0	0	0	0	108.7	L225 R226 F228 A268	L225-G242 PolarHBondContact N-O 3.49Å; R226-G242 PolarHBondContact N-O 2.96Å; R226-G242 PolarHBondContact O-N 3.22Å; F228-G242 VanDerWaalsContact CE2-N 3.33Å; G242-A268 WeakPolarHBondContact CA-O 3.33Å
243	V	50.9	Low	40.8	Very low	0 Å²	0	79 Å²	79	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	160.2	174.2	-53.9	0	0	0	0	109.3	F222 Q223 I224 F241 F267 A268 L270	F222-V243 HydrophobicContact CB-CB 4.16Å; F222-V243 HydrophobicContact CB-CG2 4.05Å; F222-V243 HydrophobicContact CD1-CG2 3.73Å; F222-V243 HydrophobicContact CG-CG2 4.24Å; Q223-V243 CarbonylContact O-C 3.45Å; Q223-V243 WeakPolarHBondContact O-CA 3.39Å; Q223-V243 WeakPolarHBondContact O-CB 3.31Å; I224-V243 HydrophobicContact CG1-CG1 4.17Å; F241-V243 HydrophobicContact CB-CG1 4.2Å; F241-V243 PolarHBondContact O-N 3.04Å; V243-F267 CarbonylContact O-C 3.5Å; V243-F267 VanDerWaalsContact O-CA 3.3Å; V243-F267 WeakPolarHBondContact O-CA 3.38Å; V243-A268 HydrophobicContact CG2-CB 3.91Å; V243-A268 PolarHBondContact N-O 3.47Å; V243-A268 PolarHBondContact O-N 3.16Å; V243-L270 HydrophobicContact CG1-CD1 3.9Å; V243-L270 HydrophobicContact CG1-CG 4.14Å; V243-L270 HydrophobicContact CG2-CD1 4.03Å; V243-L270 HydrophobicContact CG2-CG 3.88Å
244	R	49.3	Very low	40.7	Very low	67 Å²	67	75 Å²	75	25%	0.253	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.2	171.2	162.5	-172.3	-71.2	-168.9	-11.1	107.6	F222 Q223 L225 V246 N265	F222-R244 CarbonylContact C-O 3.56Å; F222-R244 VanDerWaalsContact CA-O 3.28Å; F222-R244 WeakPolarHBondContact CA-O 3.38Å; Q223-R244 PolarHBondContact N-O 3.5Å; Q223-R244 PolarHBondContact O-N 3.21Å; L225-R244 HydrophobicContact CD1-CB 3.56Å; L225-R244 HydrophobicContact CG-CB 3.99Å; R244-V246 HydrophobicContact CG-CG2 4.34Å; R244-V246 PolarHBondContact O-N 2.86Å; R244-N265 WeakPolarHBondContact CD-OD1 3.09Å; R244-N265 HydrophobicContact CG-CB 4.33Å; R244-N265 PolarHBondContact NE-OD1 2.9Å; R244-N265 PolarHBondContact NH1-OD1 3.43Å
245	E	54.2	Low	40.7	Very low	26 Å²	26	75.5 Å²	75.5	12%	0.121	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	117.4	167	-171.7	173.1	-169	0	0	107.8	K220 T221 F222 V247 K266	K220-E245 WeakPolarHBondContact CD-OE1 3.36Å; K220-E245 VanDerWaalsContact CG-OE1 3.31Å; K220-E245 WeakPolarHBondContact CG-OE1 3.45Å; K220-E245 IonicContact NZ-OE1 3.84Å; K220-E245 PolarHBondContact NZ-OE1 2.9Å; K220-E245 IonicContact NZ-OE2 2.61Å; T221-E245 CarbonylContact O-C 3.54Å; T221-E245 WeakPolarHBondContact O-CA 3.3Å; F222-E245 HydrophobicContact CD1-CB 3.69Å; F222-E245 HydrophobicContact CD1-CG 4.13Å; F222-E245 HydrophobicContact CE1-CB 3.59Å; F222-E245 HydrophobicContact CE1-CG 3.78Å; F222-E245 HydrophobicContact CZ-CB 4.47Å; F222-E245 HydrophobicContact CZ-CG 4.17Å; E245-V247 HydrophobicContact CG-CG2 4.42Å; E245-K266 HydrophobicContact CB-CB 4.07Å; E245-K266 PolarHBondContact N-O 3.01Å
246	V	53	Low	40.6	Very low	38 Å²	38	77.1 Å²	77.1	23%	0.23	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	98.5	174.4	179.4	0	0	0	0	106.3	W202 T221 Q223 R244 T248	W202-V246 HydrophobicContact CE3-CG2 4.48Å; W202-V246 HydrophobicContact CH2-CG2 4.33Å; W202-V246 HydrophobicContact CZ3-CB 3.93Å; W202-V246 HydrophobicContact CZ3-CG1 4.05Å; W202-V246 HydrophobicContact CZ3-CG2 3.68Å; T221-V246 PolarHBondContact O-N 3.43Å; Q223-V246 HydrophobicContact CB-CG2 3.98Å; R244-V246 HydrophobicContact CG-CG2 4.34Å; R244-V246 PolarHBondContact O-N 2.86Å; V246-T248 PolarHBondContact O-N 2.8Å
247	V	49.3	Very low	40.3	Very low	77 Å²	77	78.7 Å²	78.7	47%	0.467	41%	0.414	S	S	.	.			trans	-71.2	96.8	174	-178.1	0	0	0	0	107.6	E245 H249	E245-V247 HydrophobicContact CG-CG2 4.42Å; V247-H249 PolarHBondContact O-N 2.92Å
248	T	41.4	Very low	40	Very low	80 Å²	80	83.7 Å²	83.7	49%	0.491	43%	0.432	S	S	.	.			trans	-72.9	116.1	159.7	44.3	0	0	0	0	107.5	V246 L250	V246-T248 PolarHBondContact O-N 2.8Å; T248-L250 PolarHBondContact O-N 3.47Å; T248-L250 VanDerWaalsContact O-N 3.15Å
249	H	39.2	Very low	39.4	Very low	172 Å²	172	86.5 Å²	86.5	80%	0.796	45%	0.451	S	S	*	.			trans	-60.2	118.2	165.8	-78.8	-102.9	0	0	0	107.7	V247 E251	V247-H249 PolarHBondContact O-N 2.92Å; H249-E251 PolarHBondContact O-N 2.9Å
250	L	38.6	Very low	38.6	Very low	140 Å²	140	93.2 Å²	93.2	73%	0.733	49%	0.487	S	S	*	.			trans	-77.5	114.8	177.4	-162.8	77.4	0	0	0	107.2	T248 N252	T248-L250 PolarHBondContact O-N 3.47Å; T248-L250 VanDerWaalsContact O-N 3.15Å; L250-N252 PolarHBondContact O-N 2.76Å
251	E	31.3	Very low	38	Very low	170 Å²	170	101.5 Å²	101.5	79%	0.794	52%	0.523	S	S	*	.	S	Bend	trans	-65.9	77.5	175.1	-63.2	178	139.6	0	0	110.3	H249	H249-E251 PolarHBondContact O-N 2.9Å
252	N	29.7	Very low	37	Very low	136 Å²	136	108 Å²	108	73%	0.727	56%	0.559	S	S	*	*			trans	-163.6	51.2	177.7	-98.7	-22.7	0	0	0	111.6	L250	L250-N252 PolarHBondContact O-N 2.76Å
253	E	29.4	Very low	36.4	Very low	195 Å²	195	113 Å²	113	91%	0.911	59%	0.587	S	S	*	*	S	Bend	trans	177.4	137.3	138	-96.2	159.7	-155	0	0	107.4
254	T	27.2	Very low	35.8	Very low	71 Å²	71	117.2 Å²	117.2	44%	0.436	62%	0.616	S	S	.	*			trans	-108	105.1	-151.9	48.9	0	0	0	0	113.5	F392	T254-F392 HydrophobicContact CG2-CB 4.07Å; T254-F392 WeakPolarHBondContact OG1-CB 3.38Å
255	E	29.2	Very low	35.3	Very low	101 Å²	101	116.6 Å²	116.6	47%	0.472	62%	0.618	S	S	.	*			trans	-151.9	148	162.6	-107.9	148.7	-109	0	0	112.4	S396 E397	E255-S396 VanDerWaalsContact CD-N 3.33Å; E255-S396 WeakPolarHBondContact OE2-CA 3.41Å; E255-S396 PolarHBondContact OE2-N 2.72Å; E255-E397 PolarHBondContact OE2-N 2.95Å
256	T	30.6	Very low	34.6	Very low	118 Å²	118	120.6 Å²	120.6	72%	0.724	64%	0.635	S	S	*	*			trans	-88.2	137	-174.2	48.8	0	0	0	0	112.2
257	F	29.3	Very low	33.8	Very low	127 Å²	127	124.4 Å²	124.4	56%	0.557	65%	0.649	S	S	*	*			trans	-136	158.5	169.4	-94.2	-80.9	0	0	0	111.1	E397	F257-E397 HydrophobicContact CD1-CG 4.46Å; F257-E397 HydrophobicContact CE1-CG 3.51Å; F257-E397 HydrophobicContact CE2-CG 4.3Å; F257-E397 HydrophobicContact CZ-CB 4.19Å; F257-E397 HydrophobicContact CZ-CG 3.43Å; F257-E397 VanDerWaalsContact CZ-CG 3.43Å
258	D	29.4	Very low	33.4	Very low	143 Å²	143	122.1 Å²	122.1	77%	0.765	64%	0.638	S	S	*	*			trans	-70.1	148.8	-167.4	-101.7	-43.6	0	0	0	115.6	N260	D258-N260 PolarHBondContact O-N 2.78Å
259	V	28.4	Very low	33.2	Very low	118 Å²	118	120 Å²	120	72%	0.715	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	27.4	-169.8	-164.2	0	0	0	0	113.1
260	N	28.2	Very low	33.5	Very low	145 Å²	145	112.1 Å²	112.1	78%	0.775	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	4.7	-168.7	-85.6	-45.1	0	0	0	116.1	D258	D258-N260 PolarHBondContact O-N 2.78Å
261	E	32.8	Very low	33.6	Very low	189 Å²	189	108.3 Å²	108.3	88%	0.883	57%	0.567	S	S	*	*	S	Bend	trans	-86.6	122.4	172.2	-68.9	-141.5	131.2	0	0	112.6	V263	E261-V263 PolarHBondContact O-N 3.05Å
262	N	30.7	Very low	34.3	Very low	145 Å²	145	101.1 Å²	101.1	78%	0.775	53%	0.534	S	S	*	.			trans	-59.2	132.9	179.2	-76	-79.6	0	0	0	111.9	S264	N262-S264 PolarHBondContact O-N 3.47Å
263	V	33.2	Very low	34.8	Very low	115 Å²	115	96.8 Å²	96.8	70%	0.697	51%	0.513	S	S	*	.			trans	-51	100.5	179.6	-177.2	0	0	0	0	111.2	E261 N265	E261-V263 PolarHBondContact O-N 3.05Å; V263-N265 VanDerWaalsContact C-N 3.28Å; V263-N265 PolarHBondContact O-N 3.47Å; V263-N265 PolarHBondContact O-ND2 3.37Å
264	S	36.7	Very low	35.4	Very low	88 Å²	88	89.5 Å²	89.5	62%	0.615	48%	0.48	S	S	*	.			trans	-78.6	77.3	-173	62.9	0	0	0	0	111.3	N262 K266	N262-S264 PolarHBondContact O-N 3.47Å; S264-K266 PolarHBondContact O-N 3.37Å
265	N	38.5	Very low	35.8	Very low	54 Å²	54	88.2 Å²	88.2	29%	0.289	47%	0.474	S	S	.	.			trans	-62	94.2	-179.5	-72.3	-73	0	0	0	111.2	R244 V263 F267	R244-N265 WeakPolarHBondContact CD-OD1 3.09Å; R244-N265 HydrophobicContact CG-CB 4.33Å; R244-N265 PolarHBondContact NE-OD1 2.9Å; R244-N265 PolarHBondContact NH1-OD1 3.43Å; V263-N265 VanDerWaalsContact C-N 3.28Å; V263-N265 PolarHBondContact O-N 3.47Å; V263-N265 PolarHBondContact O-ND2 3.37Å; N265-F267 HydrophobicContact CB-CE2 3.95Å; N265-F267 HydrophobicContact CB-CZ 4.22Å; N265-F267 WeakPolarHBondContact O-CD2 3.42Å; N265-F267 WeakPolarHBondContact O-CE2 3.28Å; N265-F267 PolarHBondContact O-N 2.92Å; N265-F267 VanDerWaalsContact O-N 3.08Å
266	K	40.4	Very low	35.7	Very low	110 Å²	110	86.3 Å²	86.3	48%	0.478	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	98.1	-179.1	-75.5	172.3	-174.1	174.6	0	110.6	E245 S264	E245-K266 HydrophobicContact CB-CB 4.07Å; E245-K266 PolarHBondContact N-O 3.01Å; S264-K266 PolarHBondContact O-N 3.37Å
267	F	36.3	Very low	35.6	Very low	118 Å²	118	84.7 Å²	84.7	52%	0.518	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.5	176.6	-59.4	-94.2	0	0	0	110.9	L225 V243 N265	L225-F267 HydrophobicContact CD1-CD1 3.67Å; L225-F267 HydrophobicContact CD1-CE1 3.42Å; L225-F267 VanDerWaalsContact CD1-CE1 3.42Å; V243-F267 CarbonylContact O-C 3.5Å; V243-F267 VanDerWaalsContact O-CA 3.3Å; V243-F267 WeakPolarHBondContact O-CA 3.38Å; N265-F267 HydrophobicContact CB-CE2 3.95Å; N265-F267 HydrophobicContact CB-CZ 4.22Å; N265-F267 WeakPolarHBondContact O-CD2 3.42Å; N265-F267 WeakPolarHBondContact O-CE2 3.28Å; N265-F267 PolarHBondContact O-N 2.92Å; N265-F267 VanDerWaalsContact O-N 3.08Å
268	A	40.7	Very low	35.5	Very low	29 Å²	29	81.5 Å²	81.5	24%	0.24	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.6	173.8	0	0	0	0	0	110.8	G242 V243	G242-A268 WeakPolarHBondContact CA-O 3.33Å; V243-A268 HydrophobicContact CG2-CB 3.91Å; V243-A268 PolarHBondContact N-O 3.47Å; V243-A268 PolarHBondContact O-N 3.16Å
269	I	37.4	Very low	35.2	Very low	36 Å²	36	81.7 Å²	81.7	19%	0.185	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.3	172.8	-56.2	-176	0	0	0	109.7	F228 A240 F241 I426	F228-I269 HydrophobicContact CD2-CG2 4.37Å; F228-I269 HydrophobicContact CE2-CD1 3.72Å; F228-I269 HydrophobicContact CE2-CG1 3.96Å; F228-I269 HydrophobicContact CE2-CG2 4.14Å; F228-I269 HydrophobicContact CZ-CD1 3.88Å; F228-I269 HydrophobicContact CZ-CG1 4.44Å; A240-I269 HydrophobicContact CB-CG2 3.99Å; F241-I269 CarbonylContact O-C 3.42Å; F241-I269 VanDerWaalsContact O-CA 3.27Å; F241-I269 WeakPolarHBondContact O-CA 3.48Å; I269-I426 HydrophobicContact CD1-CG1 4.42Å; I269-I426 HydrophobicContact CD1-CG2 4Å
270	L	46	Very low	35	Very low	6 Å²	6	79.1 Å²	79.1	3%	0.031	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.3	176.8	-62.8	-175.3	0	0	0	111	L203 A240 F241 V243 I306 F328	L203-L270 HydrophobicContact CD1-CD1 3.61Å; A240-L270 WeakPolarHBondContact CA-O 3.42Å; F241-L270 PolarHBondContact N-O 2.86Å; F241-L270 PolarHBondContact O-N 3.46Å; V243-L270 HydrophobicContact CG1-CD1 3.9Å; V243-L270 HydrophobicContact CG1-CG 4.14Å; V243-L270 HydrophobicContact CG2-CD1 4.03Å; V243-L270 HydrophobicContact CG2-CG 3.88Å; L270-I306 HydrophobicContact CB-CG2 3.93Å; L270-I306 HydrophobicContact CD1-CD1 3.98Å; L270-I306 HydrophobicContact CD2-CG2 4.19Å; L270-I306 HydrophobicContact CG-CG2 4.43Å; L270-F328 HydrophobicContact CD1-CE1 4.24Å; L270-F328 HydrophobicContact CD1-CZ 4.33Å; L270-F328 HydrophobicContact CD2-CZ 4.17Å
271	L	40	Very low	34.8	Very low	61 Å²	61	76.1 Å²	76.1	32%	0.319	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.3	179.8	-64.9	177.6	0	0	0	110.5	A240 I306 F307	A240-L271 HydrophobicContact CB-CD2 3.64Å; L271-I306 WeakPolarHBondContact O-CG2 3.18Å; L271-F307 PolarHBondContact O-N 2.67Å
272	L	45.2	Very low	34.4	Very low	19 Å²	19	75.5 Å²	75.5	10%	0.099	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124	-172.1	-163.3	156.7	0	0	0	110.1	V239 F241 L294 V304	V239-L272 PolarHBondContact N-O 2.83Å; V239-L272 VanDerWaalsContact N-O 3.14Å; V239-L272 PolarHBondContact O-N 3.07Å; F241-L272 HydrophobicContact CD2-CB 4.34Å; F241-L272 HydrophobicContact CE2-CB 3.72Å; F241-L272 HydrophobicContact CE2-CD1 4.16Å; L272-L294 HydrophobicContact CD2-CD1 3.87Å; L272-L294 HydrophobicContact CG-CD1 4.18Å; L272-V304 HydrophobicContact CD1-CG1 3.67Å; L272-V304 HydrophobicContact CG-CG1 4.14Å
273	P	40.1	Very low	34.1	Very low	44 Å²	44	77.3 Å²	77.3	29%	0.286	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.7	179.1	31.4	-34.2	0	0	0	111.1	G237 L238 F307	G237-P273 CarbonylContact O-C 3.57Å; G237-P273 WeakPolarHBondContact O-CA 3.36Å; L238-P273 HydrophobicContact CD2-CB 4.41Å; P273-F307 HydrophobicContact CB-CE2 4.14Å; P273-F307 HydrophobicContact CG-CD2 4.4Å; P273-F307 HydrophobicContact CG-CE2 3.9Å
274	I	42	Very low	33.7	Very low	42 Å²	42	77.8 Å²	77.8	22%	0.215	45%	0.449	C	S	.	.			trans	-99	97.4	168.8	-59.3	-178.8	0	0	0	107.9	I184 G237 V239 G276	I184-I274 HydrophobicContact CB-CD1 3.98Å; I184-I274 HydrophobicContact CD1-CD1 4.35Å; I184-I274 HydrophobicContact CD1-CG1 4.47Å; I184-I274 HydrophobicContact CD1-CG2 3.97Å; I184-I274 HydrophobicContact CG2-CD1 3.56Å; I184-I274 HydrophobicContact CG2-CG1 4.35Å; G237-I274 WeakPolarHBondContact CA-O 3.28Å; G237-I274 PolarHBondContact O-N 3.34Å; V239-I274 HydrophobicContact CB-CD1 4.31Å; V239-I274 HydrophobicContact CG2-CD1 3.46Å; V239-I274 VanDerWaalsContact CG2-CD1 3.46Å; V239-I274 HydrophobicContact CG2-CG1 4.39Å; I274-G276 PolarHBondContact O-N 3.44Å
275	S	35.5	Very low	33.1	Very low	44 Å²	44	83.4 Å²	83.4	31%	0.308	46%	0.463	S	S	.	.			trans	-68.8	125.7	159.9	178.3	0	0	0	0	108.7	V277	S275-V277 PolarHBondContact O-N 3.05Å; S275-V277 PolarHBondContact OG-N 2.95Å
276	G	29	Very low	32.5	Very low	62 Å²	62	84.6 Å²	84.6	64%	0.639	48%	0.475	S	S	*	.			trans	-78.1	-1.1	173.5	0	0	0	0	0	114.1	I274 P278	I274-G276 PolarHBondContact O-N 3.44Å; G276-P278 WeakPolarHBondContact O-CD 3.26Å
277	V	28.1	Very low	31.8	Very low	83 Å²	83	85.4 Å²	85.4	50%	0.503	50%	0.495	S	S	.	.			trans	-101.3	110.2	-168.7	-175.1	0	0	0	0	110.8	S275 F279	S275-V277 PolarHBondContact O-N 3.05Å; S275-V277 PolarHBondContact OG-N 2.95Å; V277-F279 HydrophobicContact CG1-CD2 4.25Å; V277-F279 HydrophobicContact CG1-CE2 4.45Å; V277-F279 PolarHBondContact O-N 3.35Å
278	P	25.7	Very low	31.3	Very low	61 Å²	61	85.6 Å²	85.6	40%	0.396	51%	0.506	S	S	.	.			trans	-68.9	111.5	158.8	29.7	-30.9	0	0	0	108	G276	G276-P278 WeakPolarHBondContact O-CD 3.26Å
279	F	25.1	Very low	30.4	Very low	146 Å²	146	87.9 Å²	87.9	64%	0.64	53%	0.525	S	S	*	.			trans	-65.3	137.1	171.2	-99	-100.1	0	0	0	110.2	V277 V293	V277-F279 HydrophobicContact CG1-CD2 4.25Å; V277-F279 HydrophobicContact CG1-CE2 4.45Å; V277-F279 PolarHBondContact O-N 3.35Å; F279-V293 HydrophobicContact CD2-CG2 4.15Å; F279-V293 HydrophobicContact CE2-CG2 4.12Å
280	G	23.7	Very low	29.8	Very low	64 Å²	64	92.3 Å²	92.3	66%	0.66	55%	0.554	S	S	*	*			trans	-67	131.1	166.3	0	0	0	0	0	109.4	E282	G280-E282 PolarHBondContact O-N 2.86Å
281	A	23.3	Very low	28.7	Very low	83 Å²	83	98.2 Å²	98.2	69%	0.686	59%	0.586	S	S	*	*	S	Bend	trans	-94.7	66.2	-168.6	0	0	0	0	0	112.4
282	E	24.8	Very low	28	Very low	175 Å²	175	100.7 Å²	100.7	82%	0.818	59%	0.594	S	S	*	*	S	Bend	trans	-137	-36.5	178	-121.5	120.8	-128.8	0	0	114.7	G280 L284	G280-E282 PolarHBondContact O-N 2.86Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.39Å
283	E	24.3	Very low	27.1	Very low	184 Å²	184	103.1 Å²	103.1	86%	0.86	61%	0.609	S	S	*	*	S	Bend	trans	-84.3	10.7	-179.2	-62.3	-173.7	128.9	0	0	114.7	F285	E283-F285 PolarHBondContact O-N 2.85Å
284	L	24.9	Very low	26.6	Very low	124 Å²	124	102.4 Å²	102.4	65%	0.649	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	17.5	-169.6	-85	165.5	0	0	0	115.9	E282	E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.39Å
285	F	24.8	Very low	26	Very low	207 Å²	207	102.7 Å²	102.7	91%	0.908	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	25	-174.6	-68.6	-66.8	0	0	0	115.1	E283	E283-F285 PolarHBondContact O-N 2.85Å
286	S	24.6	Very low	25.6	Very low	78 Å²	78	104.3 Å²	104.3	55%	0.545	62%	0.621	S	S	.	*			trans	-93.9	134.7	160.9	63.6	0	0	0	0	110.9	T288	S286-T288 PolarHBondContact O-N 3.3Å
287	S	26.4	Very low	25.9	Very low	127 Å²	127	106 Å²	106	89%	0.888	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	17.9	-163.3	50.5	0	0	0	0	115.8
288	T	25.2	Very low	26.5	Very low	122 Å²	122	105.6 Å²	105.6	75%	0.748	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	0.2	-168.8	50.6	0	0	0	0	115.1	S286	S286-T288 PolarHBondContact O-N 3.3Å
289	A	23.4	Very low	27.1	Very low	77 Å²	77	109.3 Å²	109.3	64%	0.636	62%	0.62	S	S	*	*			trans	-104.5	73.3	-173.4	0	0	0	0	0	113.9	N291	A289-N291 PolarHBondContact O-N 2.81Å; A289-N291 VanDerWaalsContact O-N 3.1Å
290	T	23.5	Very low	27.8	Very low	130 Å²	130	105.7 Å²	105.7	80%	0.798	61%	0.612	S	S	*	*			trans	-80.1	83.8	175.2	53.1	0	0	0	0	112.4
291	N	24	Very low	28.4	Very low	130 Å²	130	103.5 Å²	103.5	70%	0.695	59%	0.59	S	S	*	*			trans	-142.9	112.4	170.4	-92.2	-51.8	0	0	0	111.9	A289 V293	A289-N291 PolarHBondContact O-N 2.81Å; A289-N291 VanDerWaalsContact O-N 3.1Å; N291-V293 PolarHBondContact O-N 2.82Å
292	F	24.7	Very low	29.2	Very low	113 Å²	113	101.8 Å²	101.8	50%	0.496	57%	0.569	S	S	.	*			trans	-83.1	106.6	178.4	-85.1	-89.2	0	0	0	111.5	M305 F327	F292-M305 HydrophobicContact CB-CE 4.19Å; F292-M305 HydrophobicContact CD2-CE 4.29Å; F292-F327 HydrophobicContact CD2-CE1 4.23Å; F292-F327 HydrophobicContact CE2-CE1 4.49Å
293	V	26.8	Very low	29.9	Very low	70 Å²	70	97.5 Å²	97.5	42%	0.424	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-83.4	117.6	169	-179.8	0	0	0	0	109.6	F279 N291 G295	F279-V293 HydrophobicContact CD2-CG2 4.15Å; F279-V293 HydrophobicContact CE2-CG2 4.12Å; N291-V293 PolarHBondContact O-N 2.82Å; V293-G295 PolarHBondContact O-N 2.66Å
294	L	29.6	Very low	30.9	Very low	29 Å²	29	88.8 Å²	88.8	15%	0.152	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-71.2	120.3	172.2	-78.3	160	0	0	0	110.4	L272 L298 V304	L272-L294 HydrophobicContact CD2-CD1 3.87Å; L272-L294 HydrophobicContact CG-CD1 4.18Å; L294-L298 HydrophobicContact CD2-CD2 4.06Å; L294-V304 HydrophobicContact CD1-CG1 3.59Å; L294-V304 HydrophobicContact CD2-CB 4.42Å; L294-V304 HydrophobicContact CD2-CG1 4.13Å; L294-V304 HydrophobicContact CD2-CG2 4.27Å
295	G	28.2	Very low	31.6	Very low	48 Å²	48	83.9 Å²	83.9	50%	0.495	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-70.5	173.7	178.4	0	0	0	0	0	113.7	V293 D297	V293-G295 PolarHBondContact O-N 2.66Å; G295-D297 PolarHBondContact O-N 3.35Å
296	N	28.6	Very low	32.5	Very low	77 Å²	77	74.1 Å²	74.1	41%	0.412	44%	0.439	S	S	.	.	S	Bend	trans	-69.5	2.7	-174.1	-75.7	-63.3	0	0	0	115.9	K187	K187-N296 PolarHBondContact NZ-O 2.93Å
297	D	34.3	Very low	33.1	Very low	98 Å²	98	74.5 Å²	74.5	52%	0.524	43%	0.43	S	S	.	.			trans	-142.6	133.8	179.5	-73.3	-63.4	0	0	0	109.8	K187 G295	K187-D297 IonicContact NZ-OD1 3.52Å; K187-D297 PolarHBondContact NZ-OD1 2.86Å; K187-D297 IonicContact NZ-OD2 2.61Å; G295-D297 PolarHBondContact O-N 3.35Å
298	L	40.6	Very low	33.5	Very low	74 Å²	74	69 Å²	69	39%	0.387	39%	0.392	S	S	.	.			trans	-101.8	130.6	170.8	-80.4	161.2	0	0	0	109.2	L294 V304	L294-L298 HydrophobicContact CD2-CD2 4.06Å; L298-V304 HydrophobicContact CD2-CG2 3.62Å
299	K	39.4	Very low	33.7	Very low	140 Å²	140	68.5 Å²	68.5	61%	0.609	39%	0.391	S	S	*	.			trans	-122.2	159.6	179.6	-60.1	175.3	-175.9	173.2	0	110.6	D302	K299-D302 WeakPolarHBondContact CA-OD2 3.29Å; K299-D302 WeakPolarHBondContact CB-OD2 3.4Å; K299-D302 PolarHBondContact N-OD2 2.99Å; K299-D302 WeakPolarHBondContact O-CB 3.26Å; K299-D302 PolarHBondContact O-N 3.46Å
300	C	39	Very low	34	Very low	69 Å²	69	71.2 Å²	71.2	47%	0.466	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	135.6	169.9	-55.8	0	0	0	0	109.3	V330 R332	C300-V330 CarbonylContact C-O 3.55Å; C300-V330 WeakPolarHBondContact CA-O 3.38Å; C300-R332 VanDerWaalsContact SG-CB 3.6Å; C300-R332 VanDerWaalsContact SG-CG 3.59Å
301	G	35.3	Very low	34	Very low	18 Å²	18	70.8 Å²	70.8	19%	0.186	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	1.6	-171.9	0	0	0	0	0	115.3	V330 R377	G301-V330 PolarHBondContact N-O 2.95Å; G301-R377 PolarHBondContact O-NH2 3.11Å
302	D	41.9	Very low	34	Very low	48 Å²	48	68.3 Å²	68.3	26%	0.257	38%	0.377	S	S	.	.			trans	-81.8	153.5	171.4	-69.2	-13.3	0	0	0	111.5	K299 V330	K299-D302 WeakPolarHBondContact CA-OD2 3.29Å; K299-D302 WeakPolarHBondContact CB-OD2 3.4Å; K299-D302 PolarHBondContact N-OD2 2.99Å; K299-D302 WeakPolarHBondContact O-CB 3.26Å; K299-D302 PolarHBondContact O-N 3.46Å; D302-V330 PolarHBondContact O-N 3.06Å; D302-V330 VanDerWaalsContact O-N 3.11Å
303	F	39.3	Very low	34	Very low	84 Å²	84	69.9 Å²	69.9	37%	0.368	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.6	170.2	-77.8	-86.8	0	0	0	110.1	F328 W329	F303-F328 CarbonylContact C-O 3.6Å; F303-F328 WeakPolarHBondContact CA-O 3.33Å; F303-W329 HydrophobicContact CD1-CB 4.34Å; F303-W329 HydrophobicContact CE1-CB 4.03Å
304	V	45.2	Very low	34	Very low	1 Å²	1	70.8 Å²	70.8	1%	0.006	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.3	-175.6	-168.6	0	0	0	0	109.1	L272 L294 L298 I306 F328 V330	L272-V304 HydrophobicContact CD1-CG1 3.67Å; L272-V304 HydrophobicContact CG-CG1 4.14Å; L294-V304 HydrophobicContact CD1-CG1 3.59Å; L294-V304 HydrophobicContact CD2-CB 4.42Å; L294-V304 HydrophobicContact CD2-CG1 4.13Å; L294-V304 HydrophobicContact CD2-CG2 4.27Å; L298-V304 HydrophobicContact CD2-CG2 3.62Å; V304-I306 HydrophobicContact CB-CD1 4.34Å; V304-I306 HydrophobicContact CB-CG1 4.16Å; V304-I306 HydrophobicContact CG1-CD1 3.84Å; V304-I306 HydrophobicContact CG1-CG1 3.5Å; V304-I306 PolarHBondContact O-N 2.84Å; V304-F328 HydrophobicContact CB-CB 4.47Å; V304-F328 PolarHBondContact N-O 3.39Å; V304-F328 PolarHBondContact O-N 2.81Å; V304-V330 HydrophobicContact CG2-CG2 3.36Å
305	M	38.4	Very low	33.7	Very low	22 Å²	22	74.4 Å²	74.4	11%	0.108	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	110.5	171.2	-178.2	178.8	-80.6	0	0	108.5	F292 H325 F327	F292-M305 HydrophobicContact CB-CE 4.19Å; F292-M305 HydrophobicContact CD2-CE 4.29Å; M305-H325 HydrophobicContact CE-CB 4.1Å; M305-H325 HydrophobicContact CG-CB 3.96Å; M305-H325 WeakPolarHBondContact CG-ND1 3.37Å; M305-H325 HydrophobicContact SD-CB 4.29Å; M305-H325 PolarHBondContact SD-ND1 3.15Å; M305-F327 HydrophobicContact CE-CE1 3.64Å; M305-F327 HydrophobicContact CE-CZ 3.6Å
306	I	44.2	Very low	33.5	Very low	2 Å²	2	80.4 Å²	80.4	1%	0.01	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.6	-176.4	-57.5	-175.8	0	0	0	109.5	L203 L270 L271 V304 S308 S326 F328	L203-I306 HydrophobicContact CD1-CD1 4.18Å; L270-I306 HydrophobicContact CB-CG2 3.93Å; L270-I306 HydrophobicContact CD1-CD1 3.98Å; L270-I306 HydrophobicContact CD2-CG2 4.19Å; L270-I306 HydrophobicContact CG-CG2 4.43Å; L271-I306 WeakPolarHBondContact O-CG2 3.18Å; V304-I306 HydrophobicContact CB-CD1 4.34Å; V304-I306 HydrophobicContact CB-CG1 4.16Å; V304-I306 HydrophobicContact CG1-CD1 3.84Å; V304-I306 HydrophobicContact CG1-CG1 3.5Å; V304-I306 PolarHBondContact O-N 2.84Å; I306-S308 PolarHBondContact O-N 2.9Å; I306-S326 PolarHBondContact N-O 3.45Å; I306-S326 PolarHBondContact O-N 3.2Å; I306-F328 HydrophobicContact CB-CD2 3.72Å; I306-F328 HydrophobicContact CB-CE2 3.66Å; I306-F328 HydrophobicContact CD1-CB 4.25Å; I306-F328 HydrophobicContact CD1-CD2 3.63Å; I306-F328 HydrophobicContact CD1-CE2 4.05Å; I306-F328 HydrophobicContact CD1-CG 3.93Å; I306-F328 HydrophobicContact CG1-CD2 3.75Å; I306-F328 HydrophobicContact CG1-CE2 4.16Å; I306-F328 HydrophobicContact CG1-CG 4.47Å; I306-F328 HydrophobicContact CG2-CE2 4.2Å
307	F	37.1	Very low	33.3	Very low	85 Å²	85	85.7 Å²	85.7	37%	0.373	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	110.9	171.1	-68.5	-91.4	0	0	0	109.1	L271 P273 V323	L271-F307 PolarHBondContact O-N 2.67Å; P273-F307 HydrophobicContact CB-CE2 4.14Å; P273-F307 HydrophobicContact CG-CD2 4.4Å; P273-F307 HydrophobicContact CG-CE2 3.9Å; F307-V323 HydrophobicContact CD1-CG1 3.64Å; F307-V323 HydrophobicContact CE1-CG1 3.45Å; F307-V323 VanDerWaalsContact CE1-CG1 3.45Å; F307-V323 HydrophobicContact CE1-CG2 4.43Å; F307-V323 HydrophobicContact CZ-CG1 4.48Å
308	S	34.2	Very low	33	Very low	13 Å²	13	90.2 Å²	90.2	9%	0.091	47%	0.468	C	S	.	.			trans	-110.9	118.1	-178.2	-149.9	0	0	0	0	109.7	I306 W310 S326	I306-S308 PolarHBondContact O-N 2.9Å; S308-W310 PolarHBondContact O-N 3.06Å; S308-W310 PolarHBondContact OG-NE1 2.77Å; S308-S326 WeakPolarHBondContact CB-OG 3.27Å
309	P	30.6	Very low	32.1	Very low	110 Å²	110	93.7 Å²	93.7	71%	0.714	49%	0.487	S	S	*	.			trans	-80.3	62	179.7	34.4	-35.6	0	0	0	111.1
310	W	28.5	Very low	31.5	Very low	135 Å²	135	92.3 Å²	92.3	51%	0.511	50%	0.495	S	S	.	.			trans	-97.1	135.1	168.5	-70.3	64.8	0	0	0	108.4	S308 T312	S308-W310 PolarHBondContact O-N 3.06Å; S308-W310 PolarHBondContact OG-NE1 2.77Å; W310-T312 PolarHBondContact O-N 3.16Å
311	S	24.6	Very low	30.8	Very low	120 Å²	120	95 Å²	95	84%	0.839	50%	0.504	S	S	*	.			trans	-79.7	116.7	-163	49.6	0	0	0	0	113.7
312	T	23.8	Very low	30.4	Very low	78 Å²	78	98.6 Å²	98.6	48%	0.479	52%	0.524	S	S	.	.			trans	-139.1	128.9	159.1	58.5	0	0	0	0	110.4	W310 L324	W310-T312 PolarHBondContact O-N 3.16Å; T312-L324 HydrophobicContact CG2-CD1 4.11Å; T312-L324 WeakPolarHBondContact OG1-CD1 3.13Å
313	Y	25	Very low	29.9	Very low	147 Å²	147	99.6 Å²	99.6	58%	0.576	53%	0.531	S	S	*	.			trans	-126.9	161.8	167.2	-117.6	-116.5	0	0	0	108.2	R416	Y313-R416 PolarHBondContact OH-NH1 3.02Å
314	P	26.4	Very low	29.6	Very low	88 Å²	88	99.1 Å²	99.1	57%	0.571	53%	0.532	S	S	*	.				-124.7	174.1	-123	42.3	-32.9	0	0	0	115.4
315	S	22.7	Very low	29.1	Very low	106 Å²	106	102.3 Å²	102.3	74%	0.741	55%	0.547	S	S	*	.			trans	-74.5	142.7	162	49.7	0	0	0	0	111.5	E317	S315-E317 PolarHBondContact O-N 3.42Å
316	H	25.1	Very low	29.2	Very low	173 Å²	173	102.2 Å²	102.2	80%	0.801	55%	0.549	S	S	*	.	S	Bend	trans	-80.4	99.5	174.7	-88.9	-102.3	0	0	0	111.3
317	E	24.4	Very low	29.1	Very low	189 Å²	189	105.8 Å²	105.8	88%	0.883	56%	0.564	S	S	*	*			trans	-156.9	163.4	144.8	-115.7	165.3	-137.9	0	0	110.2	S315	S315-E317 PolarHBondContact O-N 3.42Å
318	F	26.9	Very low	29.5	Very low	192 Å²	192	101.7 Å²	101.7	84%	0.842	55%	0.546	S	S	*	.	S	Bend	trans	-80.4	149.9	-160.7	-82.5	-106.5	0	0	0	114.7
319	N	22.9	Very low	29.8	Very low	148 Å²	148	104.7 Å²	104.7	79%	0.791	56%	0.556	S	S	*	*	S	Bend	trans	88	32.6	158.6	-46.7	-44.4	0	0	0	120.6
320	S	25.2	Very low	30.4	Very low	111 Å²	111	99.9 Å²	99.9	78%	0.776	52%	0.524	S	S	*	.			trans	-160	142.4	143.9	59.3	0	0	0	0	112.9
321	L	25.7	Very low	31	Very low	125 Å²	125	95.3 Å²	95.3	65%	0.654	51%	0.509	S	S	*	.			trans	-95.2	114.3	162.7	-89.1	167.4	0	0	0	107.8	V323	L321-V323 PolarHBondContact O-N 2.91Å; L321-V323 VanDerWaalsContact O-N 3.08Å
322	P	26.9	Very low	31.6	Very low	94 Å²	94	94.8 Å²	94.8	61%	0.61	49%	0.488	S	S	*	.			trans	-71.2	106.9	175.4	28.4	-32.7	0	0	0	109.6	L324	P322-L324 PolarHBondContact O-N 3.18Å
323	V	30.9	Very low	32.3	Very low	68 Å²	68	93.1 Å²	93.1	41%	0.412	48%	0.476	S	S	.	.			trans	-64.4	117.6	156.8	172.2	0	0	0	0	106.7	F307 L321 H325	F307-V323 HydrophobicContact CD1-CG1 3.64Å; F307-V323 HydrophobicContact CE1-CG1 3.45Å; F307-V323 VanDerWaalsContact CE1-CG1 3.45Å; F307-V323 HydrophobicContact CE1-CG2 4.43Å; F307-V323 HydrophobicContact CZ-CG1 4.48Å; L321-V323 PolarHBondContact O-N 2.91Å; L321-V323 VanDerWaalsContact O-N 3.08Å; V323-H325 VanDerWaalsContact CG1-CE1 3.45Å; V323-H325 WeakPolarHBondContact CG1-CE1 3.35Å; V323-H325 PolarHBondContact O-CD2 3.32Å; V323-H325 VanDerWaalsContact O-CD2 3.25Å; V323-H325 PolarHBondContact O-N 3.44Å
324	L	32	Very low	32.7	Very low	74 Å²	74	89.7 Å²	89.7	39%	0.387	46%	0.464	S	S	.	.			trans	-71.1	85.6	172.8	-80.7	179.2	0	0	0	110.2	T312 P322 S326	T312-L324 HydrophobicContact CG2-CD1 4.11Å; T312-L324 WeakPolarHBondContact OG1-CD1 3.13Å; P322-L324 PolarHBondContact O-N 3.18Å; L324-S326 VanDerWaalsContact C-N 3.32Å; L324-S326 PolarHBondContact O-N 3.43Å
325	H	36.4	Very low	33.2	Very low	69 Å²	69	88.8 Å²	88.8	32%	0.319	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	88.5	168.7	-64.3	-63.5	0	0	0	109.6	M305 V323 F327	M305-H325 HydrophobicContact CE-CB 4.1Å; M305-H325 HydrophobicContact CG-CB 3.96Å; M305-H325 WeakPolarHBondContact CG-ND1 3.37Å; M305-H325 HydrophobicContact SD-CB 4.29Å; M305-H325 PolarHBondContact SD-ND1 3.15Å; V323-H325 VanDerWaalsContact CG1-CE1 3.45Å; V323-H325 WeakPolarHBondContact CG1-CE1 3.35Å; V323-H325 PolarHBondContact O-CD2 3.32Å; V323-H325 VanDerWaalsContact O-CD2 3.25Å; V323-H325 PolarHBondContact O-N 3.44Å; H325-F327 HydrophobicContact CB-CE2 4.18Å; H325-F327 HydrophobicContact CB-CZ 4.45Å; H325-F327 VanDerWaalsContact O-CD2 3.28Å; H325-F327 WeakPolarHBondContact O-CD2 3.35Å; H325-F327 WeakPolarHBondContact O-CE2 3.19Å; H325-F327 PolarHBondContact O-N 3.33Å
326	S	40.4	Very low	33.8	Very low	20 Å²	20	89 Å²	89	14%	0.14	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.6	167.9	-72.1	0	0	0	0	108.7	Q205 I306 S308 L324 F328	Q205-S326 PolarHBondContact NE2-OG 3.11Å; Q205-S326 VanDerWaalsContact NE2-OG 3.12Å; I306-S326 PolarHBondContact N-O 3.45Å; I306-S326 PolarHBondContact O-N 3.2Å; S308-S326 WeakPolarHBondContact CB-OG 3.27Å; L324-S326 VanDerWaalsContact C-N 3.32Å; L324-S326 PolarHBondContact O-N 3.43Å; S326-F328 VanDerWaalsContact CB-CE2 3.43Å; S326-F328 WeakPolarHBondContact O-CD2 3.09Å
327	F	40.8	Very low	34.4	Very low	76 Å²	76	84.2 Å²	84.2	33%	0.333	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.2	175	-66.4	-90.7	0	0	0	109.3	F292 M305 H325	F292-F327 HydrophobicContact CD2-CE1 4.23Å; F292-F327 HydrophobicContact CE2-CE1 4.49Å; M305-F327 HydrophobicContact CE-CE1 3.64Å; M305-F327 HydrophobicContact CE-CZ 3.6Å; H325-F327 HydrophobicContact CB-CE2 4.18Å; H325-F327 HydrophobicContact CB-CZ 4.45Å; H325-F327 VanDerWaalsContact O-CD2 3.28Å; H325-F327 WeakPolarHBondContact O-CD2 3.35Å; H325-F327 WeakPolarHBondContact O-CE2 3.19Å; H325-F327 PolarHBondContact O-N 3.33Å
328	F	45.3	Very low	34.9	Very low	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131	176.5	-67.3	-102.7	0	0	0	109.9	L203 H204 Q205 F222 L270 F303 V304 I306 S326	L203-F328 HydrophobicContact CB-CB 4.3Å; L203-F328 HydrophobicContact CB-CD1 3.82Å; L203-F328 HydrophobicContact CB-CG 4.44Å; H204-F328 CarbonylContact O-C 3.6Å; H204-F328 WeakPolarHBondContact O-CA 3.46Å; Q205-F328 HydrophobicContact CB-CD1 3.81Å; Q205-F328 HydrophobicContact CB-CE1 3.6Å; Q205-F328 HydrophobicContact CB-CZ 4.1Å; Q205-F328 HydrophobicContact CG-CD1 4.42Å; Q205-F328 HydrophobicContact CG-CE1 4.01Å; Q205-F328 HydrophobicContact CG-CE2 4.36Å; Q205-F328 HydrophobicContact CG-CZ 3.96Å; F222-F328 HydrophobicContact CD2-CD1 4.32Å; F222-F328 AromaticContact CD2-CE1 3.72Å; F222-F328 HydrophobicContact CD2-CE1 3.72Å; F222-F328 AromaticContact CE2-CE1 3.67Å; F222-F328 HydrophobicContact CE2-CE1 3.67Å; F222-F328 HydrophobicContact CE2-CZ 4.47Å; L270-F328 HydrophobicContact CD1-CE1 4.24Å; L270-F328 HydrophobicContact CD1-CZ 4.33Å; L270-F328 HydrophobicContact CD2-CZ 4.17Å; F303-F328 CarbonylContact C-O 3.6Å; F303-F328 WeakPolarHBondContact CA-O 3.33Å; V304-F328 HydrophobicContact CB-CB 4.47Å; V304-F328 PolarHBondContact N-O 3.39Å; V304-F328 PolarHBondContact O-N 2.81Å; I306-F328 HydrophobicContact CB-CD2 3.72Å; I306-F328 HydrophobicContact CB-CE2 3.66Å; I306-F328 HydrophobicContact CD1-CB 4.25Å; I306-F328 HydrophobicContact CD1-CD2 3.63Å; I306-F328 HydrophobicContact CD1-CE2 4.05Å; I306-F328 HydrophobicContact CD1-CG 3.93Å; I306-F328 HydrophobicContact CG1-CD2 3.75Å; I306-F328 HydrophobicContact CG1-CE2 4.16Å; I306-F328 HydrophobicContact CG1-CG 4.47Å; I306-F328 HydrophobicContact CG2-CE2 4.2Å; S326-F328 VanDerWaalsContact CB-CE2 3.43Å; S326-F328 WeakPolarHBondContact O-CD2 3.09Å
329	W	40.8	Very low	35	Very low	76 Å²	76	71.9 Å²	71.9	29%	0.288	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.1	170.1	174.4	72.5	0	0	0	110.3	L203 H204 F303 E331	L203-W329 WeakPolarHBondContact CA-O 2.86Å; H204-W329 HydrophobicContact CB-CE3 4.05Å; H204-W329 AromaticContact CD2-CE3 3.51Å; H204-W329 AromaticContact CD2-CZ3 3.81Å; H204-W329 AromaticContact CG-CE3 3.85Å; H204-W329 PolarHBondContact N-O 2.6Å; H204-W329 PolarHBondContact O-N 3.47Å; F303-W329 HydrophobicContact CD1-CB 4.34Å; F303-W329 HydrophobicContact CE1-CB 4.03Å; W329-E331 HydrophobicContact CE3-CB 4.3Å; W329-E331 HydrophobicContact CH2-CB 3.92Å; W329-E331 HydrophobicContact CH2-CG 4.05Å; W329-E331 WeakPolarHBondContact CH2-OE1 3.38Å; W329-E331 HydrophobicContact CZ3-CB 3.77Å; W329-E331 HydrophobicContact CZ3-CG 4.26Å; W329-E331 WeakPolarHBondContact CZ3-OE2 3.4Å
330	V	44.6	Very low	35.3	Very low	8 Å²	8	69.5 Å²	69.5	5%	0.048	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.6	-175.5	-169.7	0	0	0	0	111.9	I201 L203 C300 G301 D302 V304	I201-V330 HydrophobicContact CG2-CG1 3.93Å; L203-V330 HydrophobicContact CD2-CG1 4.46Å; L203-V330 HydrophobicContact CD2-CG2 3.9Å; C300-V330 CarbonylContact C-O 3.55Å; C300-V330 WeakPolarHBondContact CA-O 3.38Å; G301-V330 PolarHBondContact N-O 2.95Å; D302-V330 PolarHBondContact O-N 3.06Å; D302-V330 VanDerWaalsContact O-N 3.11Å; V304-V330 HydrophobicContact CG2-CG2 3.36Å
331	E	41.2	Very low	35.6	Very low	40 Å²	40	70.1 Å²	70.1	19%	0.187	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	158.6	174.5	-171.7	156.6	-129.1	0	0	112.7	W202 H204 W329 L333	W202-E331 PolarHBondContact N-O 3.5Å; W202-E331 PolarHBondContact O-N 3.13Å; H204-E331 IonicContact NE2-OE2 3.5Å; W329-E331 HydrophobicContact CE3-CB 4.3Å; W329-E331 HydrophobicContact CH2-CB 3.92Å; W329-E331 HydrophobicContact CH2-CG 4.05Å; W329-E331 WeakPolarHBondContact CH2-OE1 3.38Å; W329-E331 HydrophobicContact CZ3-CB 3.77Å; W329-E331 HydrophobicContact CZ3-CG 4.26Å; W329-E331 WeakPolarHBondContact CZ3-OE2 3.4Å; E331-L333 HydrophobicContact CG-CD2 3.97Å; E331-L333 HydrophobicContact CG-CG 4.21Å
332	R	37.2	Very low	35.7	Very low	108 Å²	108	72.5 Å²	72.5	41%	0.408	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122	166.1	-100.9	-178.3	157.8	167.5	-4.4	109	I201 C300	I201-R332 HydrophobicContact CG1-CG 3.84Å; C300-R332 VanDerWaalsContact SG-CB 3.6Å; C300-R332 VanDerWaalsContact SG-CG 3.59Å
333	L	38.4	Very low	35.7	Very low	44 Å²	44	75.1 Å²	75.1	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	162.2	172.3	-57.7	174.6	0	0	0	110	R199 S200 W202 E331	R199-L333 VanDerWaalsContact CA-O 3.3Å; R199-L333 WeakPolarHBondContact CA-O 3.49Å; S200-L333 PolarHBondContact N-O 3.22Å; S200-L333 PolarHBondContact O-N 2.83Å; W202-L333 HydrophobicContact CD2-CD1 4.08Å; W202-L333 HydrophobicContact CG-CD1 4.22Å; W202-L333 HydrophobicContact CG-CG 4.47Å; W202-L333 HydrophobicContact CZ2-CD1 4.27Å; E331-L333 HydrophobicContact CG-CD2 3.97Å; E331-L333 HydrophobicContact CG-CG 4.21Å
334	K	33.2	Very low	35.4	Very low	74 Å²	74	79.5 Å²	79.5	32%	0.322	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.8	177	-119.4	165	165.4	-66	0	110.4	E198 R199 E336 V337	E198-K334 CarbonylContact O-C 3.41Å; E198-K334 WeakPolarHBondContact O-CA 3.22Å; E198-K334 IonicContact OE2-NZ 3.22Å; E198-K334 PolarHBondContact OE2-NZ 3.35Å; R199-K334 HydrophobicContact CG-CG 4.49Å; K334-E336 VanDerWaalsContact C-N 3.3Å; K334-E336 WeakPolarHBondContact CD-OE2 3.27Å; K334-E336 VanDerWaalsContact CE-OE2 3.3Å; K334-E336 WeakPolarHBondContact CE-OE2 3.5Å; K334-E336 IonicContact NZ-OE1 2.7Å; K334-E336 PolarHBondContact NZ-OE1 2.71Å; K334-E336 IonicContact NZ-OE2 2.79Å; K334-E336 PolarHBondContact NZ-OE2 2.75Å; K334-V337 WeakPolarHBondContact O-CG2 3.46Å; K334-V337 PolarHBondContact O-N 2.83Å
335	H	36.1	Very low	35.1	Very low	69 Å²	69	85.3 Å²	85.3	32%	0.319	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-77.5	-18.6	179.7	-160.9	-49.5	0	0	0	112.3	E198 V337 L338 S339	E198-H335 HydrophobicContact CB-CB 4.48Å; E198-H335 PolarHBondContact O-N 3.18Å; H335-V337 PolarHBondContact O-N 2.85Å; H335-L338 CarbonylContact O-C 3.58Å; H335-L338 PolarHBondContact O-N 2.98Å; H335-S339 PolarHBondContact O-N 2.89Å
336	E	35.8	Very low	34.6	Very low	110 Å²	110	87.5 Å²	87.5	51%	0.514	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-61.2	-5.9	169.4	-62.3	160.9	165.3	0	0	113.3	K334 L338	K334-E336 VanDerWaalsContact C-N 3.3Å; K334-E336 WeakPolarHBondContact CD-OE2 3.27Å; K334-E336 VanDerWaalsContact CE-OE2 3.3Å; K334-E336 WeakPolarHBondContact CE-OE2 3.5Å; K334-E336 IonicContact NZ-OE1 2.7Å; K334-E336 PolarHBondContact NZ-OE1 2.71Å; K334-E336 IonicContact NZ-OE2 2.79Å; K334-E336 PolarHBondContact NZ-OE2 2.75Å; E336-L338 VanDerWaalsContact C-N 3.33Å
337	V	37.7	Very low	33.8	Very low	73 Å²	73	93.7 Å²	93.7	44%	0.442	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-91.8	3.3	172.3	-166	0	0	0	0	111.2	K334 H335	K334-V337 WeakPolarHBondContact O-CG2 3.46Å; K334-V337 PolarHBondContact O-N 2.83Å; H335-V337 PolarHBondContact O-N 2.85Å
338	L	34.2	Very low	33.2	Very low	55 Å²	55	95 Å²	95	29%	0.288	49%	0.492	S	S	.	.	S	Bend	trans	-147.9	6.1	-172.4	-72.5	-178.8	0	0	0	114.6	W202 H335 E336 D340	W202-L338 HydrophobicContact CH2-CD1 3.85Å; W202-L338 HydrophobicContact CH2-CD2 4.36Å; W202-L338 HydrophobicContact CH2-CG 4.37Å; W202-L338 HydrophobicContact CZ2-CD1 3.57Å; W202-L338 HydrophobicContact CZ2-CG 4.25Å; H335-L338 CarbonylContact O-C 3.58Å; H335-L338 PolarHBondContact O-N 2.98Å; E336-L338 VanDerWaalsContact C-N 3.33Å; L338-D340 VanDerWaalsContact C-N 3.26Å; L338-D340 PolarHBondContact O-N 2.99Å
339	S	28.8	Very low	32.2	Very low	67 Å²	67	103.8 Å²	103.8	47%	0.469	53%	0.534	S	S	.	.			trans	-74.4	-9.6	-167.5	27.6	0	0	0	0	115.4	H335 V341	H335-S339 PolarHBondContact O-N 2.89Å; S339-V341 VanDerWaalsContact C-N 3.34Å; S339-V341 PolarHBondContact O-N 3.11Å
340	D	30.8	Very low	31.6	Very low	99 Å²	99	105.7 Å²	105.7	53%	0.529	55%	0.548	S	S	.	.	S	Bend	trans	-98.3	26.4	-165.7	-43.7	-83.2	0	0	0	112.9	L338 I350	L338-D340 VanDerWaalsContact C-N 3.26Å; L338-D340 PolarHBondContact O-N 2.99Å; D340-I350 HydrophobicContact CB-CD1 3.52Å; D340-I350 WeakPolarHBondContact OD1-CD1 3.4Å
341	V	30.1	Very low	30.6	Very low	124 Å²	124	111.3 Å²	111.3	75%	0.752	58%	0.583	S	S	*	*			trans	-136.8	38.7	-177.3	-155.3	0	0	0	0	112.2	S339	S339-V341 VanDerWaalsContact C-N 3.34Å; S339-V341 PolarHBondContact O-N 3.11Å
342	E	28.2	Very low	30.2	Very low	174 Å²	174	114.8 Å²	114.8	81%	0.813	61%	0.609	S	S	*	*	S	Bend	trans	-128.6	112.6	158.6	-70.5	-163.6	164.3	0	0	110.3
343	N	26.6	Very low	29.8	Very low	150 Å²	150	116.7 Å²	116.7	80%	0.802	62%	0.622	S	S	*	*	S	Bend	trans	82.5	125.2	-178.7	-41.7	-71.5	0	0	0	116.5
344	D	25.4	Very low	29.3	Very low	159 Å²	159	123.4 Å²	123.4	85%	0.85	65%	0.649	S	S	*	*			trans	39.1	120.6	161.3	-55	-21.3	0	0	0	121.2
345	F	25.9	Very low	29.2	Very low	196 Å²	196	124.2 Å²	124.2	86%	0.86	66%	0.657	S	S	*	*			trans	-49.4	138.9	163.9	-78.1	-90.3	0	0	0	111.4
346	P	25.4	Very low	28.8	Very low	115 Å²	115	127.3 Å²	127.3	75%	0.747	67%	0.671	S	S	*	*				-146	176.2	62.8	40.7	-22.8	0	0	0	118.1
347	D	24.2	Very low	28.6	Very low	151 Å²	151	127.5 Å²	127.5	81%	0.807	68%	0.675	S	S	*	*			trans	66.3	121.4	167.4	-86.6	-38.7	0	0	0	120.4
348	P	27.6	Very low	28.3	Very low	102 Å²	102	128.5 Å²	128.5	66%	0.662	68%	0.677	S	S	*	*			trans	-94.3	105.1	-178.4	35.4	-32.5	0	0	0	113.5
349	Q	24.7	Very low	28.4	Very low	186 Å²	186	130.6 Å²	130.6	87%	0.869	69%	0.692	S	S	*	*			trans	-135.9	46.3	168.8	-68.4	-161.6	11.2	0	0	113.9
350	I	26.7	Very low	28.9	Very low	116 Å²	116	128.2 Å²	128.2	60%	0.595	68%	0.675	S	S	*	*			trans	-121.5	106.3	-179.4	-56.6	-175.7	0	0	0	110	D340	D340-I350 HydrophobicContact CB-CD1 3.52Å; D340-I350 WeakPolarHBondContact OD1-CD1 3.4Å
351	T	25.1	Very low	29.7	Very low	125 Å²	125	128 Å²	128	77%	0.767	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-74.7	122.9	-177.6	42.4	0	0	0	0	111.1	H353	T351-H353 PolarHBondContact O-N 3.27Å
352	P	32.9	Very low	30.4	Very low	114 Å²	114	122.6 Å²	122.6	74%	0.74	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.8	174.9	27.9	-33	0	0	0	110.1	K354	P352-K354 PolarHBondContact O-N 2.85Å
353	H	27.2	Very low	30.9	Very low	148 Å²	148	117 Å²	117	69%	0.685	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-62.2	121.4	173.1	-83.8	-73.5	0	0	0	110.6	T351 L355	T351-H353 PolarHBondContact O-N 3.27Å; H353-L355 PolarHBondContact O-N 2.88Å
354	K	28.9	Very low	31.7	Very low	185 Å²	185	114.3 Å²	114.3	80%	0.804	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-55.3	118.3	170.8	-163.4	165.5	-165.6	153.5	0	109	P352 E356	P352-K354 PolarHBondContact O-N 2.85Å; K354-E356 PolarHBondContact O-N 3.31Å; K354-E356 VanDerWaalsContact O-N 3.13Å
355	L	30.4	Very low	32.7	Very low	91 Å²	91	109 Å²	109	48%	0.476	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-58.6	121.6	174.2	-85.2	92.4	0	0	0	108.7	H353 L357	H353-L355 PolarHBondContact O-N 2.88Å; L355-L357 PolarHBondContact O-N 3.32Å
356	E	27.7	Very low	33.3	Very low	134 Å²	134	102.4 Å²	102.4	63%	0.626	56%	0.563	S	S	*	*			trans	-66.5	88.4	163.6	-74.5	-163.9	151.3	0	0	108.3	K354 I358	K354-E356 PolarHBondContact O-N 3.31Å; K354-E356 VanDerWaalsContact O-N 3.13Å; E356-I358 VanDerWaalsContact C-N 3.34Å; E356-I358 WeakPolarHBondContact O-CG1 3.24Å; E356-I358 PolarHBondContact O-N 3.29Å
357	L	33	Very low	34.2	Very low	113 Å²	113	100.3 Å²	100.3	59%	0.592	55%	0.546	S	S	*	.			trans	-55	98.1	168.6	-106.1	165.4	0	0	0	108.1	L355 T359	L355-L357 PolarHBondContact O-N 3.32Å; L357-T359 HydrophobicContact CB-CG2 4.19Å; L357-T359 WeakPolarHBondContact O-CB 3.47Å; L357-T359 WeakPolarHBondContact O-CG2 3.34Å; L357-T359 PolarHBondContact O-N 2.98Å; L357-T359 PolarHBondContact O-OG1 2.9Å
358	I	30.2	Very low	34.9	Very low	94 Å²	94	97.3 Å²	97.3	48%	0.482	54%	0.535	S	S	.	.			trans	-66.4	79.3	-178	-51.6	-176.8	0	0	0	108.6	E356 C360	E356-I358 VanDerWaalsContact C-N 3.34Å; E356-I358 WeakPolarHBondContact O-CG1 3.24Å; E356-I358 PolarHBondContact O-N 3.29Å; I358-C360 PolarHBondContact O-N 2.9Å
359	T	36.2	Very low	35.6	Very low	100 Å²	100	99.7 Å²	99.7	61%	0.613	54%	0.535	S	S	*	.			trans	-84.8	67.8	-164.8	26.7	0	0	0	0	110.2	L357 S361	L357-T359 HydrophobicContact CB-CG2 4.19Å; L357-T359 WeakPolarHBondContact O-CB 3.47Å; L357-T359 WeakPolarHBondContact O-CG2 3.34Å; L357-T359 PolarHBondContact O-N 2.98Å; L357-T359 PolarHBondContact O-OG1 2.9Å; T359-S361 PolarHBondContact O-N 2.7Å; T359-S361 VanDerWaalsContact O-N 3.07Å
360	C	38.8	Very low	36.5	Very low	16 Å²	16	94 Å²	94	11%	0.108	51%	0.513	C	S	.	.			trans	-52.9	114.1	146.2	-175.9	0	0	0	0	107.8	I358 C362 L363 C374	I358-C360 PolarHBondContact O-N 2.9Å; C360-C362 HydrophobicContact CB-CB 4.43Å; C360-C362 WeakPolarHBondContact CB-SG 3.41Å; C360-C362 PolarHBondContact O-N 2.73Å; C360-C362 WeakPolarHBondContact SG-CB 3.37Å; C360-C362 CovalentContact SG-SG 2.04Å; C360-C362 PolarHBondContact SG-SG 3.25Å; C360-L363 HydrophobicContact CB-CD1 4.48Å; C360-L363 HydrophobicContact CB-CG 4.42Å; C360-L363 WeakPolarHBondContact O-CB 3.33Å; C360-L363 PolarHBondContact O-N 3.18Å; C360-C374 PolarHBondContact SG-SG 3.06Å
361	S	48.3	Very low	37.3	Very low	95 Å²	95	90 Å²	90	66%	0.664	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-57.8	-17	176.2	52.3	0	0	0	0	112.9	T359 L363 N364	T359-S361 PolarHBondContact O-N 2.7Å; T359-S361 VanDerWaalsContact O-N 3.07Å; S361-L363 PolarHBondContact O-N 2.95Å; S361-N364 WeakPolarHBondContact O-CB 3.26Å; S361-N364 PolarHBondContact O-N 2.98Å; S361-N364 VanDerWaalsContact O-N 3.08Å
362	C	45.4	Very low	38	Very low	10 Å²	10	88.7 Å²	88.7	7%	0.068	48%	0.481	C	S	.	.	G	3₁₀ helix	trans	-53.2	-37	166.5	66.6	0	0	0	0	113.4	C360 N364 S365 V370 V371 C374	C360-C362 HydrophobicContact CB-CB 4.43Å; C360-C362 WeakPolarHBondContact CB-SG 3.41Å; C360-C362 PolarHBondContact O-N 2.73Å; C360-C362 WeakPolarHBondContact SG-CB 3.37Å; C360-C362 CovalentContact SG-SG 2.04Å; C360-C362 PolarHBondContact SG-SG 3.25Å; C362-N364 PolarHBondContact O-N 2.77Å; C362-S365 WeakPolarHBondContact O-CB 3.29Å; C362-S365 PolarHBondContact O-N 2.74Å; C362-S365 VanDerWaalsContact O-N 3.09Å; C362-S365 PolarHBondContact O-OG 3.05Å; C362-V370 HydrophobicContact CB-CG1 3.94Å; C362-V371 VanDerWaalsContact O-CG2 3.31Å; C362-V371 WeakPolarHBondContact O-CG2 3.41Å; C362-C374 HydrophobicContact CB-CB 3.75Å; C362-C374 VanDerWaalsContact SG-CB 3.59Å
363	L	38.8	Very low	38.4	Very low	57 Å²	57	88.7 Å²	88.7	30%	0.298	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-68.7	-15	178.7	-66.5	171.4	0	0	0	113.5	C360 S361 V371	C360-L363 HydrophobicContact CB-CD1 4.48Å; C360-L363 HydrophobicContact CB-CG 4.42Å; C360-L363 WeakPolarHBondContact O-CB 3.33Å; C360-L363 PolarHBondContact O-N 3.18Å; S361-L363 PolarHBondContact O-N 2.95Å; L363-V371 HydrophobicContact CD2-CG1 3.88Å; L363-V371 HydrophobicContact CD2-CG2 4.21Å
364	N	43.2	Very low	39.3	Very low	93 Å²	93	83.4 Å²	83.4	50%	0.497	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-88.9	-8.4	174.8	-60.6	7.4	0	0	0	112.3	S361 C362	S361-N364 WeakPolarHBondContact O-CB 3.26Å; S361-N364 PolarHBondContact O-N 2.98Å; S361-N364 VanDerWaalsContact O-N 3.08Å; C362-N364 PolarHBondContact O-N 2.77Å
365	S	46.7	Very low	39.7	Very low	49 Å²	49	80.4 Å²	80.4	34%	0.343	46%	0.457	S	S	.	.	S	Bend	trans	-80.5	-20.9	178.1	70.2	0	0	0	0	113.6	C362 D367	C362-S365 WeakPolarHBondContact O-CB 3.29Å; C362-S365 PolarHBondContact O-N 2.74Å; C362-S365 VanDerWaalsContact O-N 3.09Å; C362-S365 PolarHBondContact O-OG 3.05Å; S365-D367 PolarHBondContact O-N 2.66Å; S365-D367 PolarHBondContact OG-N 3.44Å
366	C	38.4	Very low	40.1	Very low	57 Å²	57	83.7 Å²	83.7	39%	0.385	47%	0.467	S	S	.	.			trans	53	0.4	-166.8	-70.5	0	0	0	0	116.3	I211 P368	I211-C366 HydrophobicContact CG2-CB 4.35Å; C366-P368 WeakPolarHBondContact O-CD 3.43Å
367	D	43.2	Very low	40.6	Very low	71 Å²	71	82.2 Å²	82.2	38%	0.38	46%	0.456	S	S	.	.			trans	-79	117.3	176.2	178.8	-6.9	0	0	0	109.9	S365 F369 V370 V371	S365-D367 PolarHBondContact O-N 2.66Å; S365-D367 PolarHBondContact OG-N 3.44Å; D367-F369 PolarHBondContact O-N 3.12Å; D367-F369 WeakPolarHBondContact OD1-CA 3.41Å; D367-F369 WeakPolarHBondContact OD1-CB 3.12Å; D367-F369 PolarHBondContact OD1-N 3.15Å; D367-V370 HydrophobicContact CB-CB 4.09Å; D367-V370 HydrophobicContact CB-CG2 4.04Å; D367-V370 PolarHBondContact O-N 3.14Å; D367-V370 WeakPolarHBondContact OD2-CG2 3.23Å; D367-V371 WeakPolarHBondContact O-CG2 3.45Å; D367-V371 PolarHBondContact O-N 3.06Å
368	P	40.1	Very low	40.4	Very low	88 Å²	88	85 Å²	85	57%	0.571	46%	0.463	S	S	*	.	H	α-helix	trans	-54.7	-34.8	176.3	-24.5	34.7	0	0	0	113	C366 V371 L372	C366-P368 WeakPolarHBondContact O-CD 3.43Å; P368-V371 PolarHBondContact O-N 2.62Å; P368-L372 VanDerWaalsContact O-CB 3.23Å; P368-L372 WeakPolarHBondContact O-CB 3.26Å; P368-L372 WeakPolarHBondContact O-CD1 2.91Å; P368-L372 WeakPolarHBondContact O-CG 3.45Å; P368-L372 PolarHBondContact O-N 2.98Å
369	F	41.4	Very low	40.1	Very low	152 Å²	152	89.5 Å²	89.5	67%	0.667	48%	0.479	S	S	*	.	H	α-helix	trans	-69.4	-38.6	-178.3	-132.6	-91.4	0	0	0	111.8	D367 N373	D367-F369 PolarHBondContact O-N 3.12Å; D367-F369 WeakPolarHBondContact OD1-CA 3.41Å; D367-F369 WeakPolarHBondContact OD1-CB 3.12Å; D367-F369 PolarHBondContact OD1-N 3.15Å; F369-N373 WeakPolarHBondContact CD1-ND2 3.47Å; F369-N373 WeakPolarHBondContact O-CB 3.5Å; F369-N373 PolarHBondContact O-N 3.16Å; F369-N373 PolarHBondContact O-ND2 3.2Å
370	V	44.8	Very low	39.6	Very low	67 Å²	67	87.9 Å²	87.9	41%	0.406	48%	0.483	S	S	.	.	H	α-helix	trans	-74.7	-36.2	176.7	173.8	0	0	0	0	111.5	C362 D367	C362-V370 HydrophobicContact CB-CG1 3.94Å; D367-V370 HydrophobicContact CB-CB 4.09Å; D367-V370 HydrophobicContact CB-CG2 4.04Å; D367-V370 PolarHBondContact O-N 3.14Å; D367-V370 WeakPolarHBondContact OD2-CG2 3.23Å
371	V	42.9	Very low	38.9	Very low	30 Å²	30	92 Å²	92	18%	0.182	51%	0.512	C	S	.	.	H	α-helix	trans	-68.3	-43.8	174.9	174.9	0	0	0	0	111.7	C362 L363 D367 P368	C362-V371 VanDerWaalsContact O-CG2 3.31Å; C362-V371 WeakPolarHBondContact O-CG2 3.41Å; L363-V371 HydrophobicContact CD2-CG1 3.88Å; L363-V371 HydrophobicContact CD2-CG2 4.21Å; D367-V371 WeakPolarHBondContact O-CG2 3.45Å; D367-V371 PolarHBondContact O-N 3.06Å; P368-V371 PolarHBondContact O-N 2.62Å
372	L	40.4	Very low	37.7	Very low	99 Å²	99	92.4 Å²	92.4	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-65.6	-38.1	-178.9	-77.1	167.1	0	0	0	113	P368	P368-L372 VanDerWaalsContact O-CB 3.23Å; P368-L372 WeakPolarHBondContact O-CB 3.26Å; P368-L372 WeakPolarHBondContact O-CD1 2.91Å; P368-L372 WeakPolarHBondContact O-CG 3.45Å; P368-L372 PolarHBondContact O-N 2.98Å
373	N	41.4	Very low	36.8	Very low	114 Å²	114	97.5 Å²	97.5	61%	0.61	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	0.5	-172.6	-70.9	-62.4	0	0	0	115.1	F369 S375	F369-N373 WeakPolarHBondContact CD1-ND2 3.47Å; F369-N373 WeakPolarHBondContact O-CB 3.5Å; F369-N373 PolarHBondContact O-N 3.16Å; F369-N373 PolarHBondContact O-ND2 3.2Å; N373-S375 PolarHBondContact O-N 3.02Å
374	C	44.7	Very low	36.2	Very low	36 Å²	36	100.7 Å²	100.7	24%	0.243	57%	0.568	C	S	.	*			trans	-76.7	117.9	-173.5	-167.8	0	0	0	0	114.2	C360 C362 K376 R377	C360-C374 PolarHBondContact SG-SG 3.06Å; C362-C374 HydrophobicContact CB-CB 3.75Å; C362-C374 VanDerWaalsContact SG-CB 3.59Å; C374-K376 PolarHBondContact O-N 3Å; C374-K376 VanDerWaalsContact O-N 3.13Å; C374-R377 WeakPolarHBondContact O-CB 3.24Å; C374-R377 PolarHBondContact O-N 2.78Å
375	S	38.4	Very low	35.4	Very low	123 Å²	123	103.5 Å²	103.5	86%	0.86	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-14.7	178.2	58.3	0	0	0	0	115.3	N373	N373-S375 PolarHBondContact O-N 3.02Å
376	K	38.3	Very low	34.3	Very low	159 Å²	159	106.3 Å²	106.3	69%	0.691	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	0.2	178.7	-68.4	-170.7	177.2	-176.8	0	114.8	C374 F378	C374-K376 PolarHBondContact O-N 3Å; C374-K376 VanDerWaalsContact O-N 3.13Å; K376-F378 PolarHBondContact O-N 3.27Å
377	R	38.9	Very low	33.6	Very low	103 Å²	103	109 Å²	109	39%	0.389	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.9	-19.3	-174	-178.5	173.9	174.2	-175	-0.8	116.5	G301 C374	G301-R377 PolarHBondContact O-NH2 3.11Å; C374-R377 WeakPolarHBondContact O-CB 3.24Å; C374-R377 PolarHBondContact O-N 2.78Å
378	F	27.3	Very low	32.8	Very low	171 Å²	171	111 Å²	111	75%	0.75	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	30.9	-167.9	-60.8	-71.6	0	0	0	115.5	K376	K376-F378 PolarHBondContact O-N 3.27Å
379	K	24.5	Very low	32	Very low	189 Å²	189	114.8 Å²	114.8	82%	0.822	64%	0.643	S	S	*	*			trans	-136.3	111.8	171.9	-73.5	-170	173.8	-174	0	112.3
380	G	25.1	Very low	31.1	Very low	67 Å²	67	116.3 Å²	116.3	69%	0.691	65%	0.652	S	S	*	*			trans	-73.8	161.7	161.6	0	0	0	0	0	111.7
381	S	24.6	Very low	30.2	Very low	102 Å²	102	117.7 Å²	117.7	71%	0.713	66%	0.661	S	S	*	*			trans	-124.2	136.2	177.3	51.5	0	0	0	0	109
382	A	22.9	Very low	29.3	Very low	103 Å²	103	123.6 Å²	123.6	85%	0.851	68%	0.684	S	S	*	*			trans	-75.1	154.7	-168.1	0	0	0	0	0	115
383	E	27.5	Very low	28.5	Very low	117 Å²	117	126.3 Å²	126.3	55%	0.547	69%	0.694	S	S	.	*			trans	-29.1	155	160.8	-103.6	-167.1	-142.5	0	0	116.8	K385	E383-K385 VanDerWaalsContact CD-CE 3.47Å; E383-K385 WeakPolarHBondContact OE1-CE 3.47Å; E383-K385 IonicContact OE1-NZ 2.92Å; E383-K385 PolarHBondContact OE1-NZ 2.96Å; E383-K385 VanDerWaalsContact OE2-CE 3.3Å; E383-K385 WeakPolarHBondContact OE2-CE 3.36Å; E383-K385 IonicContact OE2-NZ 2.99Å; E383-K385 PolarHBondContact OE2-NZ 2.74Å
384	P	26.1	Very low	27.8	Very low	125 Å²	125	126.6 Å²	126.6	81%	0.812	70%	0.696	S	S	*	*				-146.7	176.7	60.9	40.6	-20.8	0	0	0	118.6
385	K	25.3	Very low	26.9	Very low	152 Å²	152	129 Å²	129	66%	0.661	71%	0.713	S	S	*	*			trans	-87.6	126.3	-174	-58	134.9	178.4	143.2	0	113.3	E383	E383-K385 VanDerWaalsContact CD-CE 3.47Å; E383-K385 WeakPolarHBondContact OE1-CE 3.47Å; E383-K385 IonicContact OE1-NZ 2.92Å; E383-K385 PolarHBondContact OE1-NZ 2.96Å; E383-K385 VanDerWaalsContact OE2-CE 3.3Å; E383-K385 WeakPolarHBondContact OE2-CE 3.36Å; E383-K385 IonicContact OE2-NZ 2.99Å; E383-K385 PolarHBondContact OE2-NZ 2.74Å
386	S	23.2	Very low	26.4	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	70%	0.701	S	S	*	*			trans	-172.8	144.2	146.9	56.9	0	0	0	0	111.1
387	S	23.8	Very low	25.9	Very low	115 Å²	115	126 Å²	126	80%	0.804	70%	0.697	S	S	*	*			trans	61.3	151.6	-168.9	78.3	0	0	0	0	114
388	V	26.6	Very low	25.4	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.685	72%	0.718	S	S	*	*			cis	-123.5	128.8	11.1	176.3	0	0	0	0	110.1
389	I	23.9	Very low	25.4	Very low	166 Å²	166	129.3 Å²	129.3	85%	0.851	72%	0.718	S	S	*	*			trans	-124.5	98	166.4	-59.6	171.5	0	0	0	106.1
390	Q	23.4	Very low	25.4	Very low	185 Å²	185	125.5 Å²	125.5	86%	0.864	71%	0.707	S	S	*	*			trans	-168.6	-4.3	170.8	-121.7	164.1	4.6	0	0	118.4
391	T	25.2	Very low	25.5	Very low	95 Å²	95	127 Å²	127	58%	0.583	70%	0.703	S	S	*	*			trans	-148.9	127.8	-171.3	41	0	0	0	0	110.1
392	F	23.4	Very low	25.7	Very low	154 Å²	154	129.9 Å²	129.9	68%	0.675	71%	0.705	S	S	*	*			cis	-138.2	165.3	4.7	-90	-83.4	0	0	0	112.2	T254	T254-F392 HydrophobicContact CG2-CB 4.07Å; T254-F392 WeakPolarHBondContact OG1-CB 3.38Å
393	Q	24.1	Very low	25.9	Very low	156 Å²	156	129.1 Å²	129.1	73%	0.729	69%	0.686	S	S	*	*			trans	-111.6	167.9	158.7	-60.6	176.9	-107.2	0	0	108.9
394	D	25.7	Very low	25.9	Very low	121 Å²	121	131 Å²	131	65%	0.647	69%	0.692	S	S	*	*			trans	95.1	100.1	155.8	-55.3	-17.8	0	0	0	122.6
395	S	26.4	Very low	26	Very low	87 Å²	87	130.2 Å²	130.2	61%	0.608	68%	0.681	S	S	*	*			trans	75.5	127.2	131	67.9	0	0	0	0	123.2
396	S	27.6	Very low	26.2	Very low	85 Å²	85	128.2 Å²	128.2	59%	0.594	67%	0.669	S	S	*	*			cis	-165	125.8	-6.9	59.5	0	0	0	0	117.3	E255 K398	E255-S396 VanDerWaalsContact CD-N 3.33Å; E255-S396 WeakPolarHBondContact OE2-CA 3.41Å; E255-S396 PolarHBondContact OE2-N 2.72Å; S396-K398 PolarHBondContact O-N 3.22Å
397	E	28.6	Very low	26.4	Very low	132 Å²	132	128.3 Å²	128.3	62%	0.617	66%	0.661	S	S	*	*				60.9	-8.3	129.9	-134.3	-168.2	171.8	0	0	123	E255 F257	E255-E397 PolarHBondContact OE2-N 2.95Å; F257-E397 HydrophobicContact CD1-CG 4.46Å; F257-E397 HydrophobicContact CE1-CG 3.51Å; F257-E397 HydrophobicContact CE2-CG 4.3Å; F257-E397 HydrophobicContact CZ-CB 4.19Å; F257-E397 HydrophobicContact CZ-CG 3.43Å; F257-E397 VanDerWaalsContact CZ-CG 3.43Å
398	K	27.2	Very low	26.7	Very low	190 Å²	190	126.3 Å²	126.3	83%	0.826	65%	0.647	S	S	*	*			trans	-119.5	2	-162.5	-115.5	176.8	-172.9	172.4	0	121.5	S396	S396-K398 PolarHBondContact O-N 3.22Å
399	M	27.7	Very low	27.3	Very low	154 Å²	154	124.1 Å²	124.1	76%	0.759	63%	0.628	S	S	*	*	S	Bend	trans	-115.8	-9.4	-175.1	-155.5	171.1	-177	0	0	115.7
400	L	25.9	Very low	27.7	Very low	109 Å²	109	121.3 Å²	121.3	57%	0.571	61%	0.614	S	S	*	*	S	Bend	trans	-89.1	-20.6	-175.6	-71.6	167	0	0	0	114	E402 I403 F404	L400-E402 VanDerWaalsContact C-N 3.31Å; L400-E402 PolarHBondContact O-N 3.45Å; L400-I403 PolarHBondContact O-N 2.99Å; L400-F404 HydrophobicContact CD2-CD2 4.4Å; L400-F404 HydrophobicContact CD2-CE2 4.04Å
401	T	26.9	Very low	28.3	Very low	99 Å²	99	113.8 Å²	113.8	61%	0.607	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-24.9	-176.4	-17.7	0	0	0	0	113.8
402	E	27.5	Very low	28.6	Very low	162 Å²	162	114.1 Å²	114.1	76%	0.757	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-22.1	-178.5	-63.6	-172.2	134.6	0	0	113.5	L400	L400-E402 VanDerWaalsContact C-N 3.31Å; L400-E402 PolarHBondContact O-N 3.45Å
403	I	27.6	Very low	29	Very low	88 Å²	88	108.1 Å²	108.1	45%	0.451	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89	-33.7	-176	-63.6	177.6	0	0	0	111.8	L400 R406	L400-I403 PolarHBondContact O-N 2.99Å; I403-R406 WeakPolarHBondContact O-CD 3.35Å; I403-R406 WeakPolarHBondContact O-CG 3.37Å
404	F	28	Very low	29.6	Very low	157 Å²	157	102.7 Å²	102.7	69%	0.689	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	0	-167.8	-73.9	-74.8	0	0	0	116.5	L400 R406	L400-F404 HydrophobicContact CD2-CD2 4.4Å; L400-F404 HydrophobicContact CD2-CE2 4.04Å; F404-R406 PolarHBondContact O-N 3.17Å
405	N	28.8	Very low	29.9	Very low	108 Å²	108	100.4 Å²	100.4	58%	0.578	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-0	172.1	-111.7	-19.6	0	0	0	114.3	N407	N405-N407 PolarHBondContact O-N 3.05Å; N405-N407 PolarHBondContact O-ND2 3.45Å
406	R	27.9	Very low	30.3	Very low	109 Å²	109	102.1 Å²	102.1	41%	0.411	52%	0.515	S	S	.	.			trans	-74.5	77	-166.9	-64.6	-177.1	-178.5	-128.2	9.3	114.6	I403 F404 C408 H490 E493	I403-R406 WeakPolarHBondContact O-CD 3.35Å; I403-R406 WeakPolarHBondContact O-CG 3.37Å; F404-R406 PolarHBondContact O-N 3.17Å; R406-C408 VanDerWaalsContact C-N 3.32Å; R406-C408 PolarHBondContact O-N 3.1Å; R406-H490 PolarHBondContact NH1-NE2 2.6Å; R406-E493 IonicContact CZ-OE1 3.25Å; R406-E493 IonicContact CZ-OE2 2.68Å; R406-E493 VanDerWaalsContact CZ-OE2 3.22Å; R406-E493 IonicContact NH1-OE1 2.69Å; R406-E493 PolarHBondContact NH1-OE1 3.03Å; R406-E493 IonicContact NH1-OE2 2.66Å; R406-E493 PolarHBondContact NH1-OE2 2.94Å; R406-E493 VanDerWaalsContact NH2-CD 3.29Å; R406-E493 IonicContact NH2-OE1 3.82Å; R406-E493 PolarHBondContact NH2-OE1 3.05Å; R406-E493 IonicContact NH2-OE2 2.7Å; R406-E493 PolarHBondContact NH2-OE2 3.29Å
407	N	28.7	Very low	30.8	Very low	109 Å²	109	99.2 Å²	99.2	58%	0.583	49%	0.492	S	S	*	.			trans	-74.4	79.9	162.6	-67.2	-69.5	0	0	0	110.6	N405 P436	N405-N407 PolarHBondContact O-N 3.05Å; N405-N407 PolarHBondContact O-ND2 3.45Å; N407-P436 HydrophobicContact CB-CG 4.3Å; N407-P436 WeakPolarHBondContact OD1-CG 3.48Å
408	C	28.9	Very low	31.4	Very low	73 Å²	73	96.8 Å²	96.8	49%	0.493	48%	0.477	S	S	.	.			trans	-124.5	135.5	172.9	-97.9	0	0	0	0	113.3	R406	R406-C408 VanDerWaalsContact C-N 3.32Å; R406-C408 PolarHBondContact O-N 3.1Å
409	F	40.3	Very low	31.8	Very low	67 Å²	67	91 Å²	91	29%	0.294	46%	0.455	S	S	.	.			trans	-114.8	156.4	172.7	-81.1	-152.1	0	0	0	109.1	P436 G437 L438	F409-P436 WeakPolarHBondContact CE2-O 3.48Å; F409-G437 VanDerWaalsContact CD1-CA 3.48Å; F409-G437 VanDerWaalsContact CE1-CA 3.48Å; F409-L438 HydrophobicContact CB-CB 4.09Å; F409-L438 WeakPolarHBondContact CB-O 3.18Å
410	L	32	Very low	32.4	Very low	108 Å²	108	87.9 Å²	87.9	57%	0.565	44%	0.441	S	S	*	.			trans	-148.2	118.9	173.7	-160.5	73.4	0	0	0	111.7	L412 L440	L410-L412 HydrophobicContact CD2-CD1 3.85Å; L410-L412 HydrophobicContact CD2-CD2 3.89Å; L410-L412 HydrophobicContact CD2-CG 3.74Å; L410-L412 HydrophobicContact CG-CD2 4.16Å; L410-L412 HydrophobicContact CG-CG 4.01Å; L410-L440 HydrophobicContact CD1-CD1 3.92Å
411	V	34.8	Very low	33	Very low	27 Å²	27	87.7 Å²	87.7	16%	0.164	44%	0.435	C	S	.	.			trans	-108.2	86.7	175.6	-178.3	0	0	0	0	109.4	G413 F417 I439	V411-G413 PolarHBondContact O-N 2.65Å; V411-F417 HydrophobicContact CG1-CB 3.89Å; V411-F417 HydrophobicContact CG1-CD2 3.84Å; V411-F417 HydrophobicContact CG1-CG 4.16Å; V411-F417 HydrophobicContact CG2-CD2 4.44Å; V411-I439 HydrophobicContact CG2-CG2 4.35Å
412	L	32.1	Very low	33.5	Very low	101 Å²	101	86.5 Å²	86.5	53%	0.529	42%	0.422	S	S	.	.			trans	-73.3	74.5	178.7	-68.9	171.4	0	0	0	111.9	L410	L410-L412 HydrophobicContact CD2-CD1 3.85Å; L410-L412 HydrophobicContact CD2-CD2 3.89Å; L410-L412 HydrophobicContact CD2-CG 3.74Å; L410-L412 HydrophobicContact CG-CD2 4.16Å; L410-L412 HydrophobicContact CG-CG 4.01Å
413	G	32.8	Very low	34.2	Very low	29 Å²	29	82 Å²	82	30%	0.299	40%	0.403	S	S	.	.			trans	125.9	103.1	168.2	0	0	0	0	0	114.3	V411 Y415 R416 F417	V411-G413 PolarHBondContact O-N 2.65Å; G413-Y415 PolarHBondContact O-N 3.46Å; G413-Y415 VanDerWaalsContact O-N 3.11Å; G413-R416 PolarHBondContact O-N 2.85Å; G413-R416 VanDerWaalsContact O-N 3.07Å; G413-F417 PolarHBondContact O-N 3.41Å
414	C	35.6	Very low	35	Very low	41 Å²	41	79.8 Å²	79.8	28%	0.277	39%	0.388	S	S	.	.	H	α-helix	trans	-46.6	-39.3	172.1	50.7	0	0	0	0	113.2	R416 F417 W418 L441	C414-R416 PolarHBondContact O-N 3.38Å; C414-F417 PolarHBondContact O-N 2.93Å; C414-W418 PolarHBondContact O-N 2.86Å; C414-W418 VanDerWaalsContact O-N 3.15Å; C414-L441 HydrophobicContact CB-CD2 3.83Å
415	Y	32.3	Very low	35.7	Very low	73 Å²	73	77.2 Å²	77.2	29%	0.286	38%	0.378	S	S	.	.	H	α-helix	trans	-58.3	-42.4	179.6	-153.4	-85.4	0	0	0	113.6	G413 L419 I551 H552 F553	G413-Y415 PolarHBondContact O-N 3.46Å; G413-Y415 VanDerWaalsContact O-N 3.11Å; Y415-L419 HydrophobicContact CD1-CD1 3.82Å; Y415-L419 HydrophobicContact CE1-CD1 3.85Å; Y415-L419 PolarHBondContact O-N 3.46Å; Y415-I551 HydrophobicContact CE1-CG2 4.09Å; Y415-H552 PolarHBondContact OH-O 3.42Å; Y415-F553 HydrophobicContact CE1-CE1 4.04Å; Y415-F553 HydrophobicContact CE1-CE2 4.06Å; Y415-F553 AromaticContact CE1-CZ 3.76Å; Y415-F553 HydrophobicContact CE1-CZ 3.76Å; Y415-F553 WeakPolarHBondContact OH-CA 3.43Å; Y415-F553 WeakPolarHBondContact OH-CD1 3.19Å; Y415-F553 VanDerWaalsContact OH-CD2 3.28Å; Y415-F553 WeakPolarHBondContact OH-CD2 3.25Å; Y415-F553 WeakPolarHBondContact OH-CE1 3.38Å; Y415-F553 WeakPolarHBondContact OH-CG 3.24Å; Y415-F553 PolarHBondContact OH-N 3.33Å
416	R	34.9	Very low	36.3	Very low	124 Å²	124	74.4 Å²	74.4	47%	0.468	36%	0.363	S	S	.	.	H	α-helix	trans	-77.3	-32.7	178	-80.5	-179	171.1	165	-2.2	112.4	Y313 G413 C414 L420	Y313-R416 PolarHBondContact OH-NH1 3.02Å; G413-R416 PolarHBondContact O-N 2.85Å; G413-R416 VanDerWaalsContact O-N 3.07Å; C414-R416 PolarHBondContact O-N 3.38Å; R416-L420 WeakPolarHBondContact O-CB 3.32Å; R416-L420 WeakPolarHBondContact O-CG 3.35Å; R416-L420 PolarHBondContact O-N 2.75Å
417	F	38.6	Very low	37.1	Very low	23 Å²	23	71.1 Å²	71.1	10%	0.101	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-42.9	177.1	-176.9	-96.5	0	0	0	112.1	V411 G413 C414 R424 L427 I439	V411-F417 HydrophobicContact CG1-CB 3.89Å; V411-F417 HydrophobicContact CG1-CD2 3.84Å; V411-F417 HydrophobicContact CG1-CG 4.16Å; V411-F417 HydrophobicContact CG2-CD2 4.44Å; G413-F417 PolarHBondContact O-N 3.41Å; C414-F417 PolarHBondContact O-N 2.93Å; F417-R424 HydrophobicContact CE1-CG 4.13Å; F417-R424 HydrophobicContact CZ-CG 4.27Å; F417-L427 HydrophobicContact CD2-CD1 4.16Å; F417-L427 HydrophobicContact CE2-CD1 3.75Å; F417-I439 HydrophobicContact CE2-CD1 4.49Å; F417-I439 HydrophobicContact CZ-CD1 4.29Å
418	W	40.2	Very low	37.8	Very low	82 Å²	82	68.6 Å²	68.6	31%	0.311	34%	0.339	S	S	.	.	H	α-helix	trans	-74	-38.1	178	-80.3	98.9	0	0	0	113.9	C414 L420 R424 Y550	C414-W418 PolarHBondContact O-N 2.86Å; C414-W418 VanDerWaalsContact O-N 3.15Å; W418-L420 VanDerWaalsContact C-N 3.33Å; W418-L420 PolarHBondContact O-N 3.22Å; W418-R424 VanDerWaalsContact CE3-NH1 3.26Å; W418-R424 VanDerWaalsContact CZ3-NH1 3.31Å; W418-Y550 AromaticContact CD2-CD2 3.77Å; W418-Y550 HydrophobicContact CD2-CD2 3.77Å; W418-Y550 AromaticContact CD2-CG 3.99Å; W418-Y550 HydrophobicContact CD2-CG 3.99Å; W418-Y550 AromaticContact CE2-CD2 3.82Å; W418-Y550 AromaticContact CE3-CD2 3.83Å; W418-Y550 HydrophobicContact CE3-CD2 3.83Å; W418-Y550 HydrophobicContact CE3-CG 4.37Å; W418-Y550 HydrophobicContact CG-CD2 4.39Å; W418-Y550 HydrophobicContact CG-CG 4.12Å; W418-Y550 HydrophobicContact CH2-CD2 4.07Å; W418-Y550 HydrophobicContact CH2-CE2 4.3Å; W418-Y550 AromaticContact CZ2-CD2 3.99Å; W418-Y550 HydrophobicContact CZ2-CD2 3.99Å; W418-Y550 HydrophobicContact CZ2-CE2 4.18Å; W418-Y550 AromaticContact CZ3-CD2 3.98Å; W418-Y550 HydrophobicContact CZ3-CD2 3.98Å
419	L	35.5	Very low	38.3	Very low	68 Å²	68	68.7 Å²	68.7	36%	0.356	34%	0.338	S	S	.	.	H	α-helix	trans	-58.5	-41	174.4	-102.4	161.7	0	0	0	112.9	Y415 K421 I551	Y415-L419 HydrophobicContact CD1-CD1 3.82Å; Y415-L419 HydrophobicContact CE1-CD1 3.85Å; Y415-L419 PolarHBondContact O-N 3.46Å; L419-K421 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 3.01Å; L419-I551 HydrophobicContact CD2-CD1 3.58Å; L419-I551 HydrophobicContact CD2-CG1 4.43Å; L419-I551 HydrophobicContact CG-CD1 3.8Å; L419-I551 HydrophobicContact CG-CG1 4.14Å
420	L	40.9	Very low	38.3	Very low	89 Å²	89	71 Å²	71	47%	0.466	35%	0.345	S	S	.	.			trans	-84.8	71.7	-173.2	-66	172.3	0	0	0	111.9	R416 W418 K422 L423 R424	R416-L420 WeakPolarHBondContact O-CB 3.32Å; R416-L420 WeakPolarHBondContact O-CG 3.35Å; R416-L420 PolarHBondContact O-N 2.75Å; W418-L420 VanDerWaalsContact C-N 3.33Å; W418-L420 PolarHBondContact O-N 3.22Å; L420-K422 CarbonylContact O-C 3.59Å; L420-K422 PolarHBondContact O-N 2.95Å; L420-L423 HydrophobicContact CB-CB 3.56Å; L420-L423 HydrophobicContact CB-CD2 4.49Å; L420-L423 HydrophobicContact CD1-CB 4.21Å; L420-L423 HydrophobicContact CD1-CD2 3.91Å; L420-L423 PolarHBondContact O-N 3.23Å; L420-R424 PolarHBondContact O-N 2.57Å
421	K	37.7	Very low	38.7	Very low	105 Å²	105	67.8 Å²	67.8	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-47	-29.3	179.6	-164.2	172	-174.4	170.4	0	114.5	L419 H425	L419-K421 VanDerWaalsContact C-N 3.34Å; L419-K421 PolarHBondContact O-N 3.01Å; K421-H425 PolarHBondContact O-ND1 3.19Å
422	K	38.4	Very low	38.8	Very low	74 Å²	74	73.1 Å²	73.1	32%	0.322	35%	0.345	S	S	.	.	H	α-helix	trans	-84.6	-39.9	172.5	-67.1	-165.5	-179.1	-174.2	0	114.3	N230 N234 L420 H425 I426	N230-K422 PolarHBondContact OD1-NZ 3.47Å; N234-K422 VanDerWaalsContact O-CE 3.29Å; N234-K422 WeakPolarHBondContact O-CE 3.38Å; N234-K422 PolarHBondContact O-NZ 3.26Å; L420-K422 CarbonylContact O-C 3.59Å; L420-K422 PolarHBondContact O-N 2.95Å; K422-H425 WeakPolarHBondContact O-CB 3.39Å; K422-H425 PolarHBondContact O-N 2.9Å; K422-I426 WeakPolarHBondContact O-CG1 3.32Å; K422-I426 PolarHBondContact O-N 3.34Å
423	L	41.9	Very low	39	Very low	68 Å²	68	73.9 Å²	73.9	36%	0.356	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-43.1	175	-166.9	85.3	0	0	0	110.5	L420 H425 I426 L427	L420-L423 HydrophobicContact CB-CB 3.56Å; L420-L423 HydrophobicContact CB-CD2 4.49Å; L420-L423 HydrophobicContact CD1-CB 4.21Å; L420-L423 HydrophobicContact CD1-CD2 3.91Å; L420-L423 PolarHBondContact O-N 3.23Å; L423-H425 VanDerWaalsContact C-N 3.29Å; L423-H425 PolarHBondContact O-N 3.01Å; L423-I426 PolarHBondContact O-N 3.03Å; L423-I426 VanDerWaalsContact O-N 3.13Å; L423-L427 HydrophobicContact CD2-CD1 4.04Å; L423-L427 HydrophobicContact CG-CD1 3.95Å; L423-L427 HydrophobicContact CG-CG 4.43Å; L423-L427 WeakPolarHBondContact O-CG 3.23Å; L423-L427 PolarHBondContact O-N 2.89Å
424	R	44.7	Very low	39.1	Very low	40 Å²	40	79.6 Å²	79.6	15%	0.151	37%	0.373	C	S	.	.	H	α-helix	trans	-53.5	-45.2	171.9	-167.5	179.9	77.3	-168.9	6.8	111.5	F417 W418 L420 L428	F417-R424 HydrophobicContact CE1-CG 4.13Å; F417-R424 HydrophobicContact CZ-CG 4.27Å; W418-R424 VanDerWaalsContact CE3-NH1 3.26Å; W418-R424 VanDerWaalsContact CZ3-NH1 3.31Å; L420-R424 PolarHBondContact O-N 2.57Å; R424-L428 HydrophobicContact CG-CD1 4.12Å; R424-L428 VanDerWaalsContact O-CB 3.3Å; R424-L428 WeakPolarHBondContact O-CB 3.37Å; R424-L428 WeakPolarHBondContact O-CD1 3.1Å; R424-L428 WeakPolarHBondContact O-CG 3.43Å; R424-L428 PolarHBondContact O-N 3.45Å
425	H	41.7	Very low	39.1	Very low	104 Å²	104	79 Å²	79	48%	0.481	37%	0.374	S	S	.	.	H	α-helix	trans	-65.2	-43.2	175.1	-103.2	95.5	0	0	0	113.1	K421 K422 L423 L428 V429	K421-H425 PolarHBondContact O-ND1 3.19Å; K422-H425 WeakPolarHBondContact O-CB 3.39Å; K422-H425 PolarHBondContact O-N 2.9Å; L423-H425 VanDerWaalsContact C-N 3.29Å; L423-H425 PolarHBondContact O-N 3.01Å; H425-L428 PolarHBondContact O-N 3.04Å; H425-V429 VanDerWaalsContact O-CB 3.31Å; H425-V429 WeakPolarHBondContact O-CB 3.31Å; H425-V429 WeakPolarHBondContact O-CG2 3.31Å; H425-V429 PolarHBondContact O-N 3.16Å
426	I	43	Very low	39	Very low	48 Å²	48	79.2 Å²	79.2	25%	0.246	38%	0.384	C	S	.	.	H	α-helix	trans	-64	-45.3	179.8	-71.1	165.1	0	0	0	110.8	I269 K422 L423 V429 W430	I269-I426 HydrophobicContact CD1-CG1 4.42Å; I269-I426 HydrophobicContact CD1-CG2 4Å; K422-I426 WeakPolarHBondContact O-CG1 3.32Å; K422-I426 PolarHBondContact O-N 3.34Å; L423-I426 PolarHBondContact O-N 3.03Å; L423-I426 VanDerWaalsContact O-N 3.13Å; I426-V429 PolarHBondContact O-N 3.02Å; I426-W430 PolarHBondContact O-N 3.33Å
427	L	43.5	Very low	38.9	Very low	41 Å²	41	75.3 Å²	75.3	22%	0.215	38%	0.383	C	S	.	.	H	α-helix	trans	-67.9	-39.6	178.9	-66.9	171	0	0	0	112	F417 L423 W430 H431	F417-L427 HydrophobicContact CD2-CD1 4.16Å; F417-L427 HydrophobicContact CE2-CD1 3.75Å; L423-L427 HydrophobicContact CD2-CD1 4.04Å; L423-L427 HydrophobicContact CG-CD1 3.95Å; L423-L427 HydrophobicContact CG-CG 4.43Å; L423-L427 WeakPolarHBondContact O-CG 3.23Å; L423-L427 PolarHBondContact O-N 2.89Å; L427-W430 PolarHBondContact O-N 3.1Å; L427-H431 WeakPolarHBondContact O-CB 3.44Å; L427-H431 PolarHBondContact O-N 3.22Å
428	L	43.1	Very low	38.7	Very low	55 Å²	55	76.3 Å²	76.3	29%	0.288	39%	0.389	S	S	.	.	H	α-helix	trans	-63.5	-39.6	170.9	-74.4	169.3	0	0	0	112.1	R424 H425 H431 Y432	R424-L428 HydrophobicContact CG-CD1 4.12Å; R424-L428 VanDerWaalsContact O-CB 3.3Å; R424-L428 WeakPolarHBondContact O-CB 3.37Å; R424-L428 WeakPolarHBondContact O-CD1 3.1Å; R424-L428 WeakPolarHBondContact O-CG 3.43Å; R424-L428 PolarHBondContact O-N 3.45Å; H425-L428 PolarHBondContact O-N 3.04Å; L428-H431 PolarHBondContact O-N 3.15Å; L428-Y432 WeakPolarHBondContact O-CB 3.41Å; L428-Y432 WeakPolarHBondContact O-CD2 3.04Å; L428-Y432 PolarHBondContact O-N 3.12Å
429	V	40	Very low	38.6	Very low	76 Å²	76	75 Å²	75	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-68.3	-37.7	176.8	166.6	0	0	0	0	111.4	H425 I426 N433	H425-V429 VanDerWaalsContact O-CB 3.31Å; H425-V429 WeakPolarHBondContact O-CB 3.31Å; H425-V429 WeakPolarHBondContact O-CG2 3.31Å; H425-V429 PolarHBondContact O-N 3.16Å; I426-V429 PolarHBondContact O-N 3.02Å; V429-N433 WeakPolarHBondContact O-CB 3.46Å; V429-N433 PolarHBondContact O-N 3.45Å; V429-N433 VanDerWaalsContact O-N 3.16Å; V429-N433 PolarHBondContact O-ND2 3.47Å
430	W	40	Very low	38.6	Very low	116 Å²	116	74 Å²	74	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-42.6	171.5	-95.1	2.8	0	0	0	112.4	I426 L427 N433 N434 G435	I426-W430 PolarHBondContact O-N 3.33Å; L427-W430 PolarHBondContact O-N 3.1Å; W430-N433 CarbonylContact O-C 3.58Å; W430-N433 PolarHBondContact O-N 2.83Å; W430-N434 PolarHBondContact O-N 2.89Å; W430-G435 PolarHBondContact O-N 2.76Å; W430-G435 VanDerWaalsContact O-N 3.09Å
431	H	40.7	Very low	38.3	Very low	39 Å²	39	73.2 Å²	73.2	18%	0.181	38%	0.378	C	S	.	.	H	α-helix	trans	-59.1	-46.8	174.3	176.8	83.4	0	0	0	112.3	L427 L428 N433 N434 A538 R539	L427-H431 WeakPolarHBondContact O-CB 3.44Å; L427-H431 PolarHBondContact O-N 3.22Å; L428-H431 PolarHBondContact O-N 3.15Å; H431-N433 PolarHBondContact O-N 3.07Å; H431-N434 PolarHBondContact O-N 2.85Å; H431-A538 VanDerWaalsContact CE1-C 3.5Å; H431-A538 PolarHBondContact NE2-O 2.96Å; H431-R539 PolarHBondContact NE2-N 3.26Å
432	Y	38.2	Very low	38.1	Very low	140 Å²	140	71.6 Å²	71.6	55%	0.549	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.2	174.3	-74.9	-58.2	0	0	0	114.5	L428	L428-Y432 WeakPolarHBondContact O-CB 3.41Å; L428-Y432 WeakPolarHBondContact O-CD2 3.04Å; L428-Y432 PolarHBondContact O-N 3.12Å
433	N	35.2	Very low	37.8	Very low	117 Å²	117	72.6 Å²	72.6	63%	0.626	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	29	171.6	-74.6	-70.4	0	0	0	111.9	V429 W430 H431 G435	V429-N433 WeakPolarHBondContact O-CB 3.46Å; V429-N433 PolarHBondContact O-N 3.45Å; V429-N433 VanDerWaalsContact O-N 3.16Å; V429-N433 PolarHBondContact O-ND2 3.47Å; W430-N433 CarbonylContact O-C 3.58Å; W430-N433 PolarHBondContact O-N 2.83Å; H431-N433 PolarHBondContact O-N 3.07Å; N433-G435 VanDerWaalsContact C-N 3.32Å; N433-G435 PolarHBondContact O-N 3.46Å
434	N	35.7	Very low	37.4	Very low	149 Å²	149	76.3 Å²	76.3	80%	0.797	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	23.7	175.8	-63.7	-16.8	0	0	0	116.2	W430 H431 P436	W430-N434 PolarHBondContact O-N 2.89Å; H431-N434 PolarHBondContact O-N 2.85Å; N434-P436 WeakPolarHBondContact O-CD 3.07Å
435	G	34.2	Very low	36.8	Very low	28 Å²	28	81.8 Å²	81.8	29%	0.289	43%	0.434	S	S	.	.			trans	-71	118.9	167.8	0	0	0	0	0	111.4	W430 N433 G437	W430-G435 PolarHBondContact O-N 2.76Å; W430-G435 VanDerWaalsContact O-N 3.09Å; N433-G435 VanDerWaalsContact C-N 3.32Å; N433-G435 PolarHBondContact O-N 3.46Å; G435-G437 PolarHBondContact O-N 2.89Å
436	P	30.7	Very low	36.2	Very low	77 Å²	77	83 Å²	83	50%	0.5	45%	0.449	S	S	.	.			trans	-73.7	123.3	-177.3	29.7	-34.4	0	0	0	111	N407 F409 N434	N407-P436 HydrophobicContact CB-CG 4.3Å; N407-P436 WeakPolarHBondContact OD1-CG 3.48Å; F409-P436 WeakPolarHBondContact CE2-O 3.48Å; N434-P436 WeakPolarHBondContact O-CD 3.07Å
437	G	32.7	Very low	35.6	Very low	43 Å²	43	89.3 Å²	89.3	44%	0.443	48%	0.477	S	S	.	.			trans	-151	135.6	-168.6	0	0	0	0	0	116.8	F409 G435	F409-G437 VanDerWaalsContact CD1-CA 3.48Å; F409-G437 VanDerWaalsContact CE1-CA 3.48Å; G435-G437 PolarHBondContact O-N 2.89Å
438	L	35.8	Very low	34.7	Very low	44 Å²	44	93.8 Å²	93.8	23%	0.23	51%	0.511	C	S	.	.			trans	-94.2	125.6	175.9	-152	86.2	0	0	0	110.9	F409 L440 I487 L535	F409-L438 HydrophobicContact CB-CB 4.09Å; F409-L438 WeakPolarHBondContact CB-O 3.18Å; L438-L440 HydrophobicContact CD2-CD2 4.23Å; L438-L440 HydrophobicContact CD2-CG 4.17Å; L438-I487 HydrophobicContact CD1-CD1 4.2Å; L438-L535 HydrophobicContact CD1-CD2 3.59Å; L438-L535 HydrophobicContact CG-CD2 4.02Å
439	I	37.8	Very low	33.9	Very low	54 Å²	54	93.8 Å²	93.8	28%	0.277	53%	0.525	S	S	.	.			trans	-117	102.3	171.4	-57.4	-179.5	0	0	0	109.3	V411 F417 L441	V411-I439 HydrophobicContact CG2-CG2 4.35Å; F417-I439 HydrophobicContact CE2-CD1 4.49Å; F417-I439 HydrophobicContact CZ-CD1 4.29Å; I439-L441 HydrophobicContact CG2-CD2 4.33Å; I439-L441 HydrophobicContact CG2-CG 4.27Å
440	L	34.8	Very low	33.3	Very low	47 Å²	47	98.4 Å²	98.4	25%	0.246	55%	0.547	C	S	.	.			trans	-79.5	120	169	-63.4	179.2	0	0	0	109.6	L410 L438 L535	L410-L440 HydrophobicContact CD1-CD1 3.92Å; L438-L440 HydrophobicContact CD2-CD2 4.23Å; L438-L440 HydrophobicContact CD2-CG 4.17Å; L440-L535 HydrophobicContact CD2-CD2 4.35Å
441	L	34.7	Very low	32.7	Very low	73 Å²	73	100.5 Å²	100.5	38%	0.382	57%	0.566	S	S	.	*			trans	-109.9	128	164.3	-63.1	173.1	0	0	0	106.7	C414 I439 D443	C414-L441 HydrophobicContact CB-CD2 3.83Å; I439-L441 HydrophobicContact CG2-CD2 4.33Å; I439-L441 HydrophobicContact CG2-CG 4.27Å; L441-D443 PolarHBondContact O-N 3.05Å
442	P	32.4	Very low	31.9	Very low	71 Å²	71	106.6 Å²	106.6	46%	0.461	60%	0.6	S	S	.	*			trans	-63.2	138.9	173	28.2	-33.7	0	0	0	109.1
443	D	32.8	Very low	31.3	Very low	95 Å²	95	106.6 Å²	106.6	51%	0.508	61%	0.609	S	S	.	*			trans	-65.6	169.3	165.8	-143.1	-35.6	0	0	0	109.9	L441 K534	L441-D443 PolarHBondContact O-N 3.05Å; D443-K534 IonicContact OD2-NZ 2.7Å; D443-K534 PolarHBondContact OD2-NZ 2.87Å
444	Q	34.4	Very low	30.9	Very low	145 Å²	145	107.1 Å²	107.1	68%	0.678	62%	0.619	S	S	*	*			trans	-31.6	132.4	-164.1	-66.5	170.8	9.4	0	0	116.5	T446	Q444-T446 VanDerWaalsContact C-N 3.34Å; Q444-T446 PolarHBondContact O-N 2.83Å
445	L	32	Very low	30.4	Very low	156 Å²	156	107.5 Å²	107.5	82%	0.817	62%	0.619	S	S	*	*			trans	-58.8	93.6	166.1	-88.5	165.4	0	0	0	110	H447	L445-H447 PolarHBondContact O-N 3.06Å
446	T	28	Very low	29.9	Very low	129 Å²	129	110.3 Å²	110.3	79%	0.791	64%	0.635	S	S	*	*			trans	-68.1	101.8	172.7	39.4	0	0	0	0	109	Q444 S448	Q444-T446 VanDerWaalsContact C-N 3.34Å; Q444-T446 PolarHBondContact O-N 2.83Å; T446-S448 PolarHBondContact O-N 2.86Å; T446-S448 VanDerWaalsContact O-N 3.1Å
447	H	30.1	Very low	29.7	Very low	181 Å²	181	117 Å²	117	84%	0.838	65%	0.651	S	S	*	*			trans	-58.2	115.5	176.6	-76.6	-81.7	0	0	0	110.3	L445 G449	L445-H447 PolarHBondContact O-N 3.06Å; H447-G449 PolarHBondContact O-N 2.94Å
448	S	25.2	Very low	29.4	Very low	134 Å²	134	123.1 Å²	123.1	94%	0.937	67%	0.668	S	S	*	*			trans	-74.8	54.3	172.2	47.8	0	0	0	0	112	T446	T446-S448 PolarHBondContact O-N 2.86Å; T446-S448 VanDerWaalsContact O-N 3.1Å
449	G	27.3	Very low	28.8	Very low	55 Å²	55	128.1 Å²	128.1	57%	0.567	70%	0.696	S	S	*	*			trans	-111.5	119.8	174.8	0	0	0	0	0	111.1	H447 L451	H447-G449 PolarHBondContact O-N 2.94Å; G449-L451 PolarHBondContact O-N 2.99Å
450	N	26.4	Very low	28.1	Very low	173 Å²	173	135.2 Å²	135.2	93%	0.925	73%	0.725	S	S	*	*			trans	-68.2	87.7	176.4	-82.3	-17.5	0	0	0	111.5
451	L	27	Very low	27.5	Very low	160 Å²	160	141.3 Å²	141.3	84%	0.838	75%	0.752	S	S	*	*			trans	-135.8	106.3	168.4	-78.1	177.4	0	0	0	111.5	G449 N453	G449-L451 PolarHBondContact O-N 2.99Å; L451-N453 PolarHBondContact O-N 3.05Å
452	N	24.3	Very low	27.1	Very low	167 Å²	167	143.6 Å²	143.6	89%	0.893	76%	0.763	S	S	*	*			trans	-71.3	89.3	167	-69.3	-28.5	0	0	0	109.8
453	N	26.2	Very low	26.5	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	78%	0.778	S	S	*	*			trans	-171.8	122.8	153.4	-96.5	-27.4	0	0	0	111.1	L451 I455	L451-N453 PolarHBondContact O-N 3.05Å; N453-I455 PolarHBondContact O-N 2.9Å
454	P	25.3	Very low	26	Very low	128 Å²	128	145.1 Å²	145.1	83%	0.831	79%	0.785	S	S	*	*			trans	-79.4	109.2	172.3	31.4	-31.3	0	0	0	110.4
455	I	25.8	Very low	25.4	Very low	157 Å²	157	142.8 Å²	142.8	81%	0.805	78%	0.78	S	S	*	*			trans	-84.2	138.8	171.2	-60.8	178.9	0	0	0	109.1	N453	N453-I455 PolarHBondContact O-N 2.9Å
456	S	24.5	Very low	25	Very low	87 Å²	87	143.6 Å²	143.6	61%	0.608	77%	0.774	S	S	*	*			trans	-78.7	141.4	-161.8	46.8	0	0	0	0	115.8	Q458	S456-Q458 VanDerWaalsContact C-N 3.26Å; S456-Q458 PolarHBondContact O-N 2.88Å
457	Y	26.9	Very low	24.7	Very low	217 Å²	217	141.6 Å²	141.6	85%	0.851	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	61.1	172	-78.4	-96.9	0	0	0	113.8
458	Q	24.9	Very low	24.6	Very low	172 Å²	172	137.6 Å²	137.6	80%	0.804	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	-19.5	179.3	-79.2	-167.1	-33.9	0	0	117.7	S456	S456-Q458 VanDerWaalsContact C-N 3.26Å; S456-Q458 PolarHBondContact O-N 2.88Å
459	D	23.6	Very low	24.6	Very low	150 Å²	150	138.9 Å²	138.9	80%	0.802	75%	0.745	S	S	*	*			trans	-99.3	94.8	175.9	-72.7	-48.4	0	0	0	112.1
460	F	23.6	Very low	24.4	Very low	202 Å²	202	138.5 Å²	138.5	89%	0.886	73%	0.734	S	S	*	*			trans	-179.9	90	140.7	-98.8	-57.6	0	0	0	113.4
461	H	23.1	Very low	24.4	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.815	71%	0.71	S	S	*	*			trans	-148.5	148.4	167.7	-91.9	15.2	0	0	0	107.8
462	I	24.4	Very low	24.3	Very low	121 Å²	121	130.2 Å²	130.2	62%	0.621	69%	0.689	S	S	*	*			cis	-153.7	156.1	-5.1	-128.5	166	0	0	0	109.9	N464	I462-N464 WeakPolarHBondContact CG2-OD1 3.42Å
463	G	21.6	Very low	24.6	Very low	75 Å²	75	128 Å²	128	77%	0.773	67%	0.674	S	S	*	*	S	Bend	trans	-129.8	-12.6	169	0	0	0	0	0	115.1
464	N	22.1	Very low	24.8	Very low	122 Å²	122	123.6 Å²	123.6	65%	0.652	65%	0.65	S	S	*	*			trans	61.5	152.4	-179.2	-62.2	-18.4	0	0	0	116.9	I462	I462-N464 WeakPolarHBondContact CG2-OD1 3.42Å
465	V	21.5	Very low	25.2	Very low	96 Å²	96	120.5 Å²	120.5	58%	0.582	63%	0.63	S	S	*	*			cis	-154	138.4	-29.5	130.4	0	0	0	0	105.4
466	Y	22.9	Very low	25.7	Very low	173 Å²	173	115.4 Å²	115.4	68%	0.678	60%	0.604	S	S	*	*			trans	-143.5	139.4	142.4	-79.4	-56.2	0	0	0	108.6	N544 V546	Y466-N544 WeakPolarHBondContact CD1-ND2 3.34Å; Y466-N544 HydrophobicContact CD2-CB 3.96Å; Y466-N544 WeakPolarHBondContact CE1-ND2 3.33Å; Y466-N544 HydrophobicContact CE2-CB 4.2Å; Y466-N544 HydrophobicContact CG-CB 4.19Å; Y466-V546 HydrophobicContact CD2-CG2 4.13Å
467	T	23	Very low	26.4	Very low	88 Å²	88	117.6 Å²	117.6	54%	0.54	61%	0.609	S	S	.	*			trans	-80.6	149.2	-170.2	52.3	0	0	0	0	112.1	E469	T467-E469 VanDerWaalsContact CB-OE2 3.25Å; T467-E469 WeakPolarHBondContact CB-OE2 3.26Å; T467-E469 WeakPolarHBondContact CG2-OE2 3.2Å; T467-E469 PolarHBondContact O-N 3.34Å; T467-E469 PolarHBondContact OG1-OE2 3.23Å; T467-E469 VanDerWaalsContact OG1-OE2 3.08Å
468	S	28.1	Very low	26.7	Very low	96 Å²	96	113.1 Å²	113.1	67%	0.671	60%	0.596	S	S	*	*	S	Bend	trans	-75.7	-1.9	172.1	46.5	0	0	0	0	113.3	S470 L471	S468-S470 PolarHBondContact O-N 2.85Å; S468-L471 PolarHBondContact O-N 2.84Å
469	E	23.3	Very low	27.6	Very low	161 Å²	161	106.6 Å²	106.6	75%	0.752	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	25.3	-178.7	-59	171.1	130.6	0	0	114.6	T467	T467-E469 VanDerWaalsContact CB-OE2 3.25Å; T467-E469 WeakPolarHBondContact CB-OE2 3.26Å; T467-E469 WeakPolarHBondContact CG2-OE2 3.2Å; T467-E469 PolarHBondContact O-N 3.34Å; T467-E469 PolarHBondContact OG1-OE2 3.23Å; T467-E469 VanDerWaalsContact OG1-OE2 3.08Å
470	S	23.6	Very low	28.5	Very low	48 Å²	48	106.1 Å²	106.1	34%	0.336	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.7	-6	171.3	-65.3	0	0	0	0	112.6	S468 L472 S541	S468-S470 PolarHBondContact O-N 2.85Å; S470-L472 PolarHBondContact O-N 2.95Å; S470-S541 WeakPolarHBondContact O-CA 3.42Å; S470-S541 WeakPolarHBondContact O-CB 3.11Å
471	L	26.5	Very low	29.7	Very low	81 Å²	81	99.9 Å²	99.9	42%	0.424	55%	0.545	S	S	.	.	S	Bend	trans	-88.3	87.5	165.9	-80.4	171.7	0	0	0	108.4	S468 Q473 W536 F543	S468-L471 PolarHBondContact O-N 2.84Å; L471-Q473 PolarHBondContact O-N 3.49Å; L471-W536 HydrophobicContact CB-CE3 4.4Å; L471-W536 HydrophobicContact CB-CZ3 3.93Å; L471-W536 HydrophobicContact CD2-CE3 4.3Å; L471-F543 HydrophobicContact CD2-CE1 3.86Å; L471-F543 HydrophobicContact CD2-CZ 3.88Å
472	L	25.6	Very low	30.9	Very low	77 Å²	77	96.3 Å²	96.3	40%	0.403	53%	0.532	S	S	.	.			trans	-67.3	97.7	178.9	-120.8	162.7	0	0	0	109.8	S470 L474 V540	S470-L472 PolarHBondContact O-N 2.95Å; L472-L474 HydrophobicContact CD2-CD2 4.38Å; L472-L474 PolarHBondContact O-N 3.26Å; L472-V540 HydrophobicContact CD1-CB 4.06Å; L472-V540 HydrophobicContact CD1-CG1 3.87Å; L472-V540 HydrophobicContact CD1-CG2 4.08Å
473	Q	29.8	Very low	31.8	Very low	121 Å²	121	92.8 Å²	92.8	57%	0.565	52%	0.516	S	S	*	.	B	Isolated β-bridge	trans	-62.1	112.4	156.8	-81	-175.6	-34	0	0	107.5	L471 P475 W536	L471-Q473 PolarHBondContact O-N 3.49Å; Q473-P475 WeakPolarHBondContact O-CD 3.36Å; Q473-W536 HydrophobicContact CG-CH2 3.68Å; Q473-W536 HydrophobicContact CG-CZ3 3.65Å
474	L	29.9	Very low	32.9	Very low	48 Å²	48	92.8 Å²	92.8	25%	0.251	50%	0.496	S	S	.	.			trans	-87.2	102.9	158.3	-69.7	170.6	0	0	0	106.3	L472 Q478 L479 D537	L472-L474 HydrophobicContact CD2-CD2 4.38Å; L472-L474 PolarHBondContact O-N 3.26Å; L474-Q478 HydrophobicContact CD2-CB 3.95Å; L474-L479 HydrophobicContact CD1-CD2 4.35Å; L474-D537 HydrophobicContact CD1-CB 4.38Å
475	P	33.6	Very low	34.4	Very low	63 Å²	63	92.9 Å²	92.9	41%	0.409	49%	0.49	S	S	.	.			trans	-59.1	151.1	164.2	26.8	-33.5	0	0	0	108.8	Q473 N477 Q478	Q473-P475 WeakPolarHBondContact O-CD 3.36Å; P475-N477 WeakPolarHBondContact CG-OD1 3.38Å; P475-N477 PolarHBondContact O-N 2.97Å; P475-Q478 HydrophobicContact CG-CG 4.21Å; P475-Q478 PolarHBondContact O-N 3.24Å
476	D	37.6	Very low	35.6	Very low	49 Å²	49	92.7 Å²	92.7	26%	0.262	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-52.4	-37.1	-168.3	-65.4	-58.5	0	0	0	113	Q478 L479 Q484	D476-Q478 PolarHBondContact O-N 3.28Å; D476-L479 WeakPolarHBondContact O-CB 3.22Å; D476-L479 PolarHBondContact O-N 2.98Å; D476-Q484 PolarHBondContact O-NE2 2.72Å
477	N	38.2	Very low	36.6	Very low	134 Å²	134	86.3 Å²	86.3	72%	0.717	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-64.3	-0.8	177.4	66.9	0.3	0	0	0	116	P475	P475-N477 WeakPolarHBondContact CG-OD1 3.38Å; P475-N477 PolarHBondContact O-N 2.97Å
478	Q	34.8	Very low	38.1	Very low	122 Å²	122	87.3 Å²	87.3	57%	0.57	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-108.7	-6.4	169.9	-64.3	-169.9	4.6	0	0	113.8	L474 P475 D476	L474-Q478 HydrophobicContact CD2-CB 3.95Å; P475-Q478 HydrophobicContact CG-CG 4.21Å; P475-Q478 PolarHBondContact O-N 3.24Å; D476-Q478 PolarHBondContact O-N 3.28Å
479	L	42	Very low	39.2	Very low	36 Å²	36	85.8 Å²	85.8	19%	0.188	44%	0.443	C	S	.	.	S	Bend	trans	-76.7	139.2	164.9	-70.7	165.7	0	0	0	109.4	L474 D476 Q484 L535	L474-L479 HydrophobicContact CD1-CD2 4.35Å; D476-L479 WeakPolarHBondContact O-CB 3.22Å; D476-L479 PolarHBondContact O-N 2.98Å; L479-Q484 HydrophobicContact CB-CG 3.8Å; L479-L535 HydrophobicContact CD1-CD1 3.61Å
480	Q	44	Very low	40.3	Very low	140 Å²	140	79.6 Å²	79.6	65%	0.654	41%	0.414	S	S	*	.			trans	-64.9	139.8	174.7	-61.5	-175.7	-9.4	0	0	109.8	N482 V483 Q484	Q480-N482 WeakPolarHBondContact CB-OD1 3.43Å; Q480-N482 PolarHBondContact O-N 3.19Å; Q480-N482 VanDerWaalsContact O-N 3.14Å; Q480-N482 PolarHBondContact O-OD1 3.47Å; Q480-V483 HydrophobicContact CB-CG2 4.44Å; Q480-V483 WeakPolarHBondContact O-CA 3.49Å; Q480-V483 WeakPolarHBondContact O-CB 3.41Å; Q480-V483 PolarHBondContact O-N 3.45Å; Q480-Q484 PolarHBondContact O-N 2.84Å
481	A	48.6	Very low	41.5	Very low	70 Å²	70	79.3 Å²	79.3	58%	0.579	41%	0.408	S	S	*	.	H	α-helix	trans	-62.3	-25.8	-170	0	0	0	0	0	114.3	K485	A481-K485 VanDerWaalsContact O-CB 3.29Å; A481-K485 WeakPolarHBondContact O-CB 3.44Å; A481-K485 PolarHBondContact O-N 3.36Å
482	N	48	Very low	42.8	Very low	101 Å²	101	77.8 Å²	77.8	54%	0.54	40%	0.401	S	S	.	.	H	α-helix	trans	-63.6	-45.8	168.8	55.4	-23.8	0	0	0	112	Q480 K485 E486	Q480-N482 WeakPolarHBondContact CB-OD1 3.43Å; Q480-N482 PolarHBondContact O-N 3.19Å; Q480-N482 VanDerWaalsContact O-N 3.14Å; Q480-N482 PolarHBondContact O-OD1 3.47Å; N482-K485 PolarHBondContact O-N 3.19Å; N482-E486 WeakPolarHBondContact O-CB 3.4Å; N482-E486 PolarHBondContact O-N 3.32Å
483	V	42.9	Very low	44	Very low	48 Å²	48	78.1 Å²	78.1	29%	0.291	40%	0.4	S	S	.	.	H	α-helix	trans	-68.5	-40.4	178.3	-177.4	0	0	0	0	111.1	Q480 K485 E486 I487	Q480-V483 HydrophobicContact CB-CG2 4.44Å; Q480-V483 WeakPolarHBondContact O-CA 3.49Å; Q480-V483 WeakPolarHBondContact O-CB 3.41Å; Q480-V483 PolarHBondContact O-N 3.45Å; V483-K485 VanDerWaalsContact C-N 3.33Å; V483-K485 PolarHBondContact O-N 3.05Å; V483-E486 PolarHBondContact O-N 3.25Å; V483-I487 HydrophobicContact CG1-CD1 4.06Å; V483-I487 VanDerWaalsContact O-CG1 3.32Å; V483-I487 WeakPolarHBondContact O-CG1 3.45Å; V483-I487 PolarHBondContact O-N 3Å; V483-I487 VanDerWaalsContact O-N 3.11Å
484	Q	45.4	Very low	44.8	Very low	75 Å²	75	76 Å²	76	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-56.4	-48.3	171	-67	-179.1	-28.5	0	0	111.3	D476 L479 Q480 H488	D476-Q484 PolarHBondContact O-NE2 2.72Å; L479-Q484 HydrophobicContact CB-CG 3.8Å; Q480-Q484 PolarHBondContact O-N 2.84Å; Q484-H488 WeakPolarHBondContact O-CB 3.38Å; Q484-H488 PolarHBondContact O-N 3.27Å
485	K	52.1	Low	45.8	Very low	123 Å²	123	76.8 Å²	76.8	54%	0.535	39%	0.393	S	S	.	.	H	α-helix	trans	-65.1	-45.3	-179.8	-168.5	-171.9	177.6	-89.3	0	111.7	A481 N482 V483 I487 H488 D489	A481-K485 VanDerWaalsContact O-CB 3.29Å; A481-K485 WeakPolarHBondContact O-CB 3.44Å; A481-K485 PolarHBondContact O-N 3.36Å; N482-K485 PolarHBondContact O-N 3.19Å; V483-K485 VanDerWaalsContact C-N 3.33Å; V483-K485 PolarHBondContact O-N 3.05Å; K485-I487 VanDerWaalsContact C-N 3.29Å; K485-I487 PolarHBondContact O-N 2.62Å; K485-H488 CarbonylContact O-C 3.53Å; K485-H488 WeakPolarHBondContact O-CB 3.43Å; K485-H488 PolarHBondContact O-N 3.41Å; K485-H488 VanDerWaalsContact O-N 3.09Å; K485-D489 IonicContact NZ-OD1 3.89Å; K485-D489 IonicContact NZ-OD2 3.63Å; K485-D489 PolarHBondContact NZ-OD2 3.48Å; K485-D489 WeakPolarHBondContact O-CB 3.49Å; K485-D489 PolarHBondContact O-N 3.24Å
486	E	47.6	Very low	46.7	Very low	93 Å²	93	80.1 Å²	80.1	44%	0.435	41%	0.408	S	S	.	.	H	α-helix	trans	-60.8	-37.7	-179.8	-175.2	171.2	-147.6	0	0	112.5	N482 V483 H490	N482-E486 WeakPolarHBondContact O-CB 3.4Å; N482-E486 PolarHBondContact O-N 3.32Å; V483-E486 PolarHBondContact O-N 3.25Å; E486-H490 WeakPolarHBondContact O-CB 3.46Å; E486-H490 PolarHBondContact O-N 3.26Å; E486-H490 PolarHBondContact O-ND1 3.22Å
487	I	44.8	Very low	47.2	Very low	38 Å²	38	82.3 Å²	82.3	20%	0.195	43%	0.427	C	S	.	.	H	α-helix	trans	-69.5	-42.1	172.5	-67.2	171.8	0	0	0	111.2	L438 V483 K485 H490 L491 L535	L438-I487 HydrophobicContact CD1-CD1 4.2Å; V483-I487 HydrophobicContact CG1-CD1 4.06Å; V483-I487 VanDerWaalsContact O-CG1 3.32Å; V483-I487 WeakPolarHBondContact O-CG1 3.45Å; V483-I487 PolarHBondContact O-N 3Å; V483-I487 VanDerWaalsContact O-N 3.11Å; K485-I487 VanDerWaalsContact C-N 3.29Å; K485-I487 PolarHBondContact O-N 2.62Å; I487-H490 PolarHBondContact O-N 3.28Å; I487-L491 HydrophobicContact CG2-CD1 4.14Å; I487-L491 VanDerWaalsContact O-CG 3.32Å; I487-L491 WeakPolarHBondContact O-CG 3.22Å; I487-L491 PolarHBondContact O-N 3.06Å; I487-L535 HydrophobicContact CD1-CD1 3.69Å
488	H	53.2	Low	47.2	Very low	109 Å²	109	78.9 Å²	78.9	51%	0.505	41%	0.409	S	S	.	.	H	α-helix	trans	-63.8	-45.2	176.8	-175	73.4	0	0	0	112.1	Q484 K485 L491 N492	Q484-H488 WeakPolarHBondContact O-CB 3.38Å; Q484-H488 PolarHBondContact O-N 3.27Å; K485-H488 CarbonylContact O-C 3.53Å; K485-H488 WeakPolarHBondContact O-CB 3.43Å; K485-H488 PolarHBondContact O-N 3.41Å; K485-H488 VanDerWaalsContact O-N 3.09Å; H488-L491 PolarHBondContact O-N 3.02Å; H488-N492 PolarHBondContact CD2-ND2 2.88Å; H488-N492 PolarHBondContact NE2-ND2 2.74Å; H488-N492 PolarHBondContact O-N 2.93Å; H488-N492 PolarHBondContact O-ND2 3.15Å
489	D	52.3	Low	47.5	Very low	64 Å²	64	78.6 Å²	78.6	34%	0.342	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-44.3	177.4	-67.7	-12.7	0	0	0	110.5	K485 L491 N492 E493	K485-D489 IonicContact NZ-OD1 3.89Å; K485-D489 IonicContact NZ-OD2 3.63Å; K485-D489 PolarHBondContact NZ-OD2 3.48Å; K485-D489 WeakPolarHBondContact O-CB 3.49Å; K485-D489 PolarHBondContact O-N 3.24Å; D489-L491 PolarHBondContact O-N 3.4Å; D489-N492 PolarHBondContact O-N 3.1Å; D489-E493 WeakPolarHBondContact O-CB 3.12Å; D489-E493 PolarHBondContact O-N 3.11Å
490	H	45.9	Very low	48.1	Very low	32 Å²	32	82.2 Å²	82.2	15%	0.148	44%	0.436	C	S	.	.	H	α-helix	trans	-63.8	-38.2	173.7	-92.1	77.2	0	0	0	113.6	R406 E486 I487 E493 I494	R406-H490 PolarHBondContact NH1-NE2 2.6Å; E486-H490 WeakPolarHBondContact O-CB 3.46Å; E486-H490 PolarHBondContact O-N 3.26Å; E486-H490 PolarHBondContact O-ND1 3.22Å; I487-H490 PolarHBondContact O-N 3.28Å; H490-E493 PolarHBondContact O-N 3.35Å; H490-I494 VanDerWaalsContact O-CG1 3.27Å; H490-I494 WeakPolarHBondContact O-CG1 3.36Å; H490-I494 PolarHBondContact O-N 2.93Å
491	L	47.7	Very low	48.2	Very low	41 Å²	41	81.3 Å²	81.3	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-68.3	-35.7	176.1	-73.2	172.9	0	0	0	112	I487 H488 D489 K495 I510 I533	I487-L491 HydrophobicContact CG2-CD1 4.14Å; I487-L491 VanDerWaalsContact O-CG 3.32Å; I487-L491 WeakPolarHBondContact O-CG 3.22Å; I487-L491 PolarHBondContact O-N 3.06Å; H488-L491 PolarHBondContact O-N 3.02Å; D489-L491 PolarHBondContact O-N 3.4Å; L491-K495 VanDerWaalsContact O-CB 3.28Å; L491-K495 WeakPolarHBondContact O-CB 3.03Å; L491-K495 PolarHBondContact O-N 2.88Å; L491-K495 VanDerWaalsContact O-N 3.14Å; L491-I510 HydrophobicContact CD2-CD1 4.07Å; L491-I533 HydrophobicContact CD1-CD1 3.78Å
492	N	54.6	Low	47.8	Very low	49 Å²	49	82 Å²	82	26%	0.262	42%	0.418	S	S	.	.	H	α-helix	trans	-67.6	-42.3	172.4	-69.5	-30.9	0	0	0	111.4	H488 D489 I494 K495 D496	H488-N492 PolarHBondContact CD2-ND2 2.88Å; H488-N492 PolarHBondContact NE2-ND2 2.74Å; H488-N492 PolarHBondContact O-N 2.93Å; H488-N492 PolarHBondContact O-ND2 3.15Å; D489-N492 PolarHBondContact O-N 3.1Å; N492-I494 PolarHBondContact O-N 3.19Å; N492-K495 CarbonylContact O-C 3.57Å; N492-K495 WeakPolarHBondContact O-CA 3.47Å; N492-K495 VanDerWaalsContact O-CB 3.29Å; N492-K495 WeakPolarHBondContact O-CB 3.46Å; N492-K495 PolarHBondContact O-N 3.41Å; N492-D496 WeakPolarHBondContact O-CB 3.39Å; N492-D496 VanDerWaalsContact O-CG 3.29Å; N492-D496 PolarHBondContact O-N 2.95Å
493	E	51.6	Low	47.9	Very low	85 Å²	85	78.2 Å²	78.2	40%	0.397	40%	0.4	S	S	.	.	H	α-helix	trans	-66.8	-36.7	178.6	-166.6	-175.4	-171.1	0	0	112.8	R406 D489 H490 K495 D496 S497	R406-E493 IonicContact CZ-OE1 3.25Å; R406-E493 IonicContact CZ-OE2 2.68Å; R406-E493 VanDerWaalsContact CZ-OE2 3.22Å; R406-E493 IonicContact NH1-OE1 2.69Å; R406-E493 PolarHBondContact NH1-OE1 3.03Å; R406-E493 IonicContact NH1-OE2 2.66Å; R406-E493 PolarHBondContact NH1-OE2 2.94Å; R406-E493 VanDerWaalsContact NH2-CD 3.29Å; R406-E493 IonicContact NH2-OE1 3.82Å; R406-E493 PolarHBondContact NH2-OE1 3.05Å; R406-E493 IonicContact NH2-OE2 2.7Å; R406-E493 PolarHBondContact NH2-OE2 3.29Å; D489-E493 WeakPolarHBondContact O-CB 3.12Å; D489-E493 PolarHBondContact O-N 3.11Å; H490-E493 PolarHBondContact O-N 3.35Å; E493-K495 PolarHBondContact O-N 3.08Å; E493-D496 PolarHBondContact O-N 2.91Å; E493-S497 WeakPolarHBondContact O-CB 3.21Å; E493-S497 PolarHBondContact O-N 2.8Å; E493-S497 PolarHBondContact O-OG 2.63Å
494	I	45.8	Very low	48.2	Very low	76 Å²	76	78.8 Å²	78.8	39%	0.39	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-32.2	170.7	-69	166.8	0	0	0	111.1	H490 N492 S497 L498 L506	H490-I494 VanDerWaalsContact O-CG1 3.27Å; H490-I494 WeakPolarHBondContact O-CG1 3.36Å; H490-I494 PolarHBondContact O-N 2.93Å; N492-I494 PolarHBondContact O-N 3.19Å; I494-S497 WeakPolarHBondContact CA-OG 3.18Å; I494-S497 PolarHBondContact O-OG 3.48Å; I494-L498 WeakPolarHBondContact O-CD1 3.29Å; I494-L498 VanDerWaalsContact O-CG 3.28Å; I494-L498 WeakPolarHBondContact O-CG 3.27Å; I494-L498 PolarHBondContact O-N 2.87Å; I494-L506 HydrophobicContact CG2-CD2 4.08Å
495	K	50.5	Low	48.3	Very low	64 Å²	64	80.1 Å²	80.1	28%	0.278	42%	0.416	S	S	.	.	H	α-helix	trans	-76.8	-35.4	178	175.6	175.9	171.4	169.3	0	112.8	L491 N492 E493 L506 N507	L491-K495 VanDerWaalsContact O-CB 3.28Å; L491-K495 WeakPolarHBondContact O-CB 3.03Å; L491-K495 PolarHBondContact O-N 2.88Å; L491-K495 VanDerWaalsContact O-N 3.14Å; N492-K495 CarbonylContact O-C 3.57Å; N492-K495 WeakPolarHBondContact O-CA 3.47Å; N492-K495 VanDerWaalsContact O-CB 3.29Å; N492-K495 WeakPolarHBondContact O-CB 3.46Å; N492-K495 PolarHBondContact O-N 3.41Å; E493-K495 PolarHBondContact O-N 3.08Å; K495-L506 HydrophobicContact CB-CD2 3.88Å; K495-N507 VanDerWaalsContact CE-OD1 3.25Å; K495-N507 WeakPolarHBondContact CE-OD1 3.29Å; K495-N507 PolarHBondContact NZ-OD1 2.92Å
496	D	53.9	Low	47.9	Very low	133 Å²	133	75.9 Å²	75.9	71%	0.711	40%	0.399	S	S	*	.	H	α-helix	trans	-80.9	-26.1	178.8	-67.2	-21.4	0	0	0	112.7	N492 E493	N492-D496 WeakPolarHBondContact O-CB 3.39Å; N492-D496 VanDerWaalsContact O-CG 3.29Å; N492-D496 PolarHBondContact O-N 2.95Å; E493-D496 PolarHBondContact O-N 2.91Å
497	S	46.7	Very low	48.1	Very low	96 Å²	96	73.8 Å²	73.8	67%	0.671	39%	0.391	S	S	*	.	S	Bend	trans	-83.7	-6.3	172.9	56.2	0	0	0	0	114.3	E493 I494	E493-S497 WeakPolarHBondContact O-CB 3.21Å; E493-S497 PolarHBondContact O-N 2.8Å; E493-S497 PolarHBondContact O-OG 2.63Å; I494-S497 WeakPolarHBondContact CA-OG 3.18Å; I494-S497 PolarHBondContact O-OG 3.48Å
498	L	39.8	Very low	48.2	Very low	62 Å²	62	75 Å²	75	33%	0.325	40%	0.398	S	S	.	.	S	Bend	trans	-86.4	141.2	169.8	-80.1	168.8	0	0	0	111.3	I494 S500 Y502 L506	I494-L498 WeakPolarHBondContact O-CD1 3.29Å; I494-L498 VanDerWaalsContact O-CG 3.28Å; I494-L498 WeakPolarHBondContact O-CG 3.27Å; I494-L498 PolarHBondContact O-N 2.87Å; L498-S500 PolarHBondContact O-N 2.9Å; L498-Y502 HydrophobicContact CD2-CD2 4.44Å; L498-L506 HydrophobicContact CD1-CB 3.98Å; L498-L506 HydrophobicContact CD1-CD1 4.46Å; L498-L506 HydrophobicContact CD1-CD2 3.77Å; L498-L506 HydrophobicContact CD1-CG 4.27Å
499	E	40.8	Very low	47.6	Very low	115 Å²	115	76.7 Å²	76.7	54%	0.537	40%	0.404	S	S	.	.			trans	-56.7	140.1	166.8	-60.9	-176.7	-179.3	0	0	110.5	K501 Y502	E499-K501 HydrophobicContact CB-CG 4.35Å; E499-K501 PolarHBondContact O-N 2.87Å; E499-K501 WeakPolarHBondContact OE2-CD 3.48Å; E499-K501 WeakPolarHBondContact OE2-CE 3.32Å; E499-K501 IonicContact OE2-NZ 2.68Å; E499-K501 PolarHBondContact OE2-NZ 3.16Å; E499-Y502 HydrophobicContact CB-CD2 3.92Å; E499-Y502 HydrophobicContact CB-CE2 4.2Å; E499-Y502 PolarHBondContact O-N 2.79Å
500	S	53.3	Low	47.2	Very low	113 Å²	113	74.7 Å²	74.7	79%	0.79	39%	0.393	S	S	*	.	H	α-helix	trans	-53.4	-27.6	-172.2	58.6	0	0	0	0	114.9	L498 Y502 A503	L498-S500 PolarHBondContact O-N 2.9Å; S500-Y502 PolarHBondContact O-N 2.96Å; S500-A503 PolarHBondContact O-N 3.27Å
501	K	46	Very low	47.1	Very low	121 Å²	121	77 Å²	77	53%	0.526	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-16.6	175	77.5	-163.7	-166.5	-153.9	0	114.5	E499	E499-K501 HydrophobicContact CB-CG 4.35Å; E499-K501 PolarHBondContact O-N 2.87Å; E499-K501 WeakPolarHBondContact OE2-CD 3.48Å; E499-K501 WeakPolarHBondContact OE2-CE 3.32Å; E499-K501 IonicContact OE2-NZ 2.68Å; E499-K501 PolarHBondContact OE2-NZ 3.16Å
502	Y	39.9	Very low	46.6	Very low	85 Å²	85	76.8 Å²	76.8	33%	0.333	41%	0.411	S	S	.	.	H	α-helix	trans	-103.3	-22.1	177.1	-58.6	-60.1	0	0	0	113.5	L498 E499 S500 S504 N505 L506	L498-Y502 HydrophobicContact CD2-CD2 4.44Å; E499-Y502 HydrophobicContact CB-CD2 3.92Å; E499-Y502 HydrophobicContact CB-CE2 4.2Å; E499-Y502 PolarHBondContact O-N 2.79Å; S500-Y502 PolarHBondContact O-N 2.96Å; Y502-S504 PolarHBondContact O-N 3.5Å; Y502-N505 PolarHBondContact O-N 2.83Å; Y502-L506 PolarHBondContact O-N 2.88Å
503	A	50.8	Low	46.1	Very low	20 Å²	20	78.5 Å²	78.5	17%	0.165	43%	0.428	C	S	.	.	H	α-helix	trans	-58.9	-32.9	-177.4	0	0	0	0	0	113.2	S500 N507	S500-A503 PolarHBondContact O-N 3.27Å; A503-N507 WeakPolarHBondContact O-CB 3.25Å; A503-N507 PolarHBondContact O-N 3.33Å; A503-N507 PolarHBondContact O-ND2 2.93Å
504	S	49.9	Very low	45.7	Very low	61 Å²	61	78.4 Å²	78.4	43%	0.427	43%	0.433	S	S	.	.	H	α-helix	trans	-63.9	-41.4	171.9	53.7	0	0	0	0	112.8	Y502 N507 N508	Y502-S504 PolarHBondContact O-N 3.5Å; S504-N507 PolarHBondContact O-N 3.1Å; S504-N508 WeakPolarHBondContact O-CB 3.32Å; S504-N508 PolarHBondContact O-N 2.83Å; S504-N508 PolarHBondContact O-ND2 3.29Å
505	N	46.4	Very low	45.3	Very low	102 Å²	102	81.2 Å²	81.2	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-73.3	-33.5	178.1	-72.6	-24.1	0	0	0	112.3	Y502 N508 F509	Y502-N505 PolarHBondContact O-N 2.83Å; N505-N508 PolarHBondContact O-N 2.91Å; N505-F509 WeakPolarHBondContact O-CB 3.28Å; N505-F509 PolarHBondContact O-N 3.04Å
506	L	44.8	Very low	44.6	Very low	34 Å²	34	86.5 Å²	86.5	18%	0.178	47%	0.472	C	S	.	.	H	α-helix	trans	-65.4	-46.5	170.1	-172.2	74.6	0	0	0	111	I494 K495 L498 Y502 N508 F509 I510	I494-L506 HydrophobicContact CG2-CD2 4.08Å; K495-L506 HydrophobicContact CB-CD2 3.88Å; L498-L506 HydrophobicContact CD1-CB 3.98Å; L498-L506 HydrophobicContact CD1-CD1 4.46Å; L498-L506 HydrophobicContact CD1-CD2 3.77Å; L498-L506 HydrophobicContact CD1-CG 4.27Å; Y502-L506 PolarHBondContact O-N 2.88Å; L506-N508 VanDerWaalsContact C-N 3.32Å; L506-N508 PolarHBondContact O-N 3.25Å; L506-F509 WeakPolarHBondContact O-CB 3.42Å; L506-F509 PolarHBondContact O-N 2.8Å; L506-F509 VanDerWaalsContact O-N 3.08Å; L506-I510 HydrophobicContact CD1-CD1 4.16Å; L506-I510 HydrophobicContact CD2-CD1 4.08Å; L506-I510 HydrophobicContact CG-CD1 3.73Å; L506-I510 HydrophobicContact CG-CG1 4.38Å; L506-I510 WeakPolarHBondContact O-CG1 3.16Å; L506-I510 PolarHBondContact O-N 2.85Å
507	N	50.5	Low	43.5	Very low	49 Å²	49	89.1 Å²	89.1	26%	0.262	48%	0.48	S	S	.	.	H	α-helix	trans	-57.3	-44.2	174.1	-71.2	-31	0	0	0	111.3	K495 A503 S504 F509 I510 H511	K495-N507 VanDerWaalsContact CE-OD1 3.25Å; K495-N507 WeakPolarHBondContact CE-OD1 3.29Å; K495-N507 PolarHBondContact NZ-OD1 2.92Å; A503-N507 WeakPolarHBondContact O-CB 3.25Å; A503-N507 PolarHBondContact O-N 3.33Å; A503-N507 PolarHBondContact O-ND2 2.93Å; S504-N507 PolarHBondContact O-N 3.1Å; N507-F509 VanDerWaalsContact C-N 3.28Å; N507-F509 PolarHBondContact O-N 3.1Å; N507-I510 PolarHBondContact O-N 2.9Å; N507-H511 WeakPolarHBondContact O-CB 3.46Å; N507-H511 PolarHBondContact O-CD2 2.9Å; N507-H511 PolarHBondContact O-N 3.21Å
508	N	47.9	Very low	42.8	Very low	65 Å²	65	91.2 Å²	91.2	35%	0.348	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-29.6	176.2	-73.2	-26.5	0	0	0	113.2	S504 N505 L506 G512	S504-N508 WeakPolarHBondContact O-CB 3.32Å; S504-N508 PolarHBondContact O-N 2.83Å; S504-N508 PolarHBondContact O-ND2 3.29Å; N505-N508 PolarHBondContact O-N 2.91Å; L506-N508 VanDerWaalsContact C-N 3.32Å; L506-N508 PolarHBondContact O-N 3.25Å; N508-G512 CarbonylContact O-C 3.6Å; N508-G512 VanDerWaalsContact O-C 3.24Å; N508-G512 WeakPolarHBondContact O-CA 3.27Å; N508-G512 PolarHBondContact O-N 2.98Å
509	F	40.7	Very low	42.4	Very low	143 Å²	143	93.6 Å²	93.6	63%	0.627	50%	0.503	S	S	*	.	H	α-helix	trans	-77.3	-37	175.8	178.3	-98.7	0	0	0	112.3	N505 L506 N507	N505-F509 WeakPolarHBondContact O-CB 3.28Å; N505-F509 PolarHBondContact O-N 3.04Å; L506-F509 WeakPolarHBondContact O-CB 3.42Å; L506-F509 PolarHBondContact O-N 2.8Å; L506-F509 VanDerWaalsContact O-N 3.08Å; N507-F509 VanDerWaalsContact C-N 3.28Å; N507-F509 PolarHBondContact O-N 3.1Å
510	I	42.9	Very low	42.2	Very low	23 Å²	23	93.3 Å²	93.3	12%	0.118	50%	0.504	C	S	.	.	H	α-helix	trans	-81	-34.2	-179.9	-63	171.1	0	0	0	112.1	L491 L506 N507 S532 I533	L491-I510 HydrophobicContact CD2-CD1 4.07Å; L506-I510 HydrophobicContact CD1-CD1 4.16Å; L506-I510 HydrophobicContact CD2-CD1 4.08Å; L506-I510 HydrophobicContact CG-CD1 3.73Å; L506-I510 HydrophobicContact CG-CG1 4.38Å; L506-I510 WeakPolarHBondContact O-CG1 3.16Å; L506-I510 PolarHBondContact O-N 2.85Å; N507-I510 PolarHBondContact O-N 2.9Å; I510-S532 WeakPolarHBondContact O-CB 3.49Å; I510-S532 VanDerWaalsContact O-O 3.12Å; I510-S532 PolarHBondContact O-OG 3.24Å; I510-I533 HydrophobicContact CG2-CD1 4.11Å
511	H	44.4	Very low	41.4	Very low	79 Å²	79	92.5 Å²	92.5	37%	0.366	49%	0.494	S	S	.	.	H	α-helix	trans	-116.8	-0	-172.1	-54.9	-60	0	0	0	114.5	N507 S532	N507-H511 WeakPolarHBondContact O-CB 3.46Å; N507-H511 PolarHBondContact O-CD2 2.9Å; N507-H511 PolarHBondContact O-N 3.21Å; H511-S532 PolarHBondContact ND1-OG 3.46Å
512	G	38.1	Very low	40.9	Very low	37 Å²	37	95.2 Å²	95.2	38%	0.381	51%	0.509	S	S	.	.			trans	78.1	170.1	-171.5	0	0	0	0	0	113.2	N508 T514	N508-G512 CarbonylContact O-C 3.6Å; N508-G512 VanDerWaalsContact O-C 3.24Å; N508-G512 WeakPolarHBondContact O-CA 3.27Å; N508-G512 PolarHBondContact O-N 2.98Å; G512-T514 PolarHBondContact O-N 2.81Å
513	S	43.2	Very low	40.6	Very low	86 Å²	86	99.9 Å²	99.9	60%	0.601	53%	0.531	S	S	*	.			trans	-76.7	103.6	-178.3	58	0	0	0	0	112.2	I515	S513-I515 VanDerWaalsContact C-N 3.33Å; S513-I515 PolarHBondContact O-N 3.47Å
514	T	42.8	Very low	39.8	Very low	82 Å²	82	101.5 Å²	101.5	50%	0.503	54%	0.539	S	S	.	.			trans	-77.7	75	178.7	45.6	0	0	0	0	112.3	G512 H516	G512-T514 PolarHBondContact O-N 2.81Å; T514-H516 PolarHBondContact O-N 3.21Å
515	I	37.5	Very low	38.9	Very low	136 Å²	136	101.9 Å²	101.9	70%	0.697	54%	0.541	S	S	*	.			trans	-69.8	-10.2	-176.8	-69.8	175.1	0	0	0	113.6	S513	S513-I515 VanDerWaalsContact C-N 3.33Å; S513-I515 PolarHBondContact O-N 3.47Å
516	H	36.9	Very low	38.2	Very low	174 Å²	174	102.9 Å²	102.9	81%	0.806	55%	0.545	S	S	*	.	S	Bend	trans	-94.3	121.1	177.4	-73.7	-56.9	0	0	0	113.4	T514 N518	T514-H516 PolarHBondContact O-N 3.21Å; H516-N518 PolarHBondContact O-N 3.22Å
517	H	31.2	Very low	37.5	Very low	188 Å²	188	107.8 Å²	107.8	87%	0.87	57%	0.567	S	S	*	*			trans	-62.8	95.2	178.4	-62.9	-73.1	0	0	0	113.1
518	N	30.4	Very low	36.4	Very low	141 Å²	141	112.5 Å²	112.5	75%	0.754	58%	0.582	S	S	*	*			trans	-147.5	137.7	153.5	-95.2	-42.8	0	0	0	109.5	H516 I520	H516-N518 PolarHBondContact O-N 3.22Å; N518-I520 PolarHBondContact O-N 3.39Å
519	P	32.3	Very low	35.8	Very low	112 Å²	112	112 Å²	112	73%	0.727	58%	0.584	S	S	*	*			trans	-66.9	121	173.2	28.2	-32.5	0	0	0	109.4	T521	P519-T521 PolarHBondContact O-N 2.93Å; P519-T521 VanDerWaalsContact O-N 3.13Å
520	I	35.2	Very low	35.5	Very low	109 Å²	109	109.9 Å²	109.9	56%	0.559	58%	0.579	S	S	*	*			trans	-68.2	111.9	179	-58.5	174.9	0	0	0	108.1	N518 C525	N518-I520 PolarHBondContact O-N 3.39Å; I520-C525 VanDerWaalsContact CG2-SG 3.57Å
521	T	36.6	Very low	34.9	Very low	96 Å²	96	118.1 Å²	118.1	59%	0.589	61%	0.61	S	S	*	*			trans	-85.5	146.6	168.8	52.7	0	0	0	0	108.7	P519 K523 T524	P519-T521 PolarHBondContact O-N 2.93Å; P519-T521 VanDerWaalsContact O-N 3.13Å; T521-K523 PolarHBondContact O-N 2.84Å; T521-T524 PolarHBondContact O-N 3.22Å; T521-T524 PolarHBondContact O-OG1 3.04Å; T521-T524 VanDerWaalsContact O-OG1 3.09Å
522	E	36.2	Very low	34.5	Very low	178 Å²	178	116.2 Å²	116.2	83%	0.832	61%	0.605	S	S	*	*	H	α-helix	trans	-51.3	-29.9	-166.2	-61.7	172	128.4	0	0	114.6	T524 C525	E522-T524 PolarHBondContact O-N 2.9Å; E522-C525 PolarHBondContact O-N 3.35Å
523	K	34.8	Very low	34.3	Very low	182 Å²	182	116.9 Å²	116.9	79%	0.791	60%	0.599	S	S	*	*	H	α-helix	trans	-66.5	-27.5	178.9	-69.6	-172.3	175.1	-176.9	0	114.6	T521	T521-K523 PolarHBondContact O-N 2.84Å
524	T	32.2	Very low	33.9	Very low	55 Å²	55	117.6 Å²	117.6	34%	0.337	59%	0.592	S	S	.	*	H	α-helix	trans	-85.9	-10.4	178.8	52.7	0	0	0	0	113.9	T521 E522 I526 E527 Y528	T521-T524 PolarHBondContact O-N 3.22Å; T521-T524 PolarHBondContact O-OG1 3.04Å; T521-T524 VanDerWaalsContact O-OG1 3.09Å; E522-T524 PolarHBondContact O-N 2.9Å; T524-I526 VanDerWaalsContact C-N 3.26Å; T524-I526 PolarHBondContact O-N 3.28Å; T524-E527 PolarHBondContact O-N 2.84Å; T524-Y528 PolarHBondContact O-N 3.02Å
525	C	31	Very low	33.5	Very low	69 Å²	69	114.8 Å²	114.8	47%	0.466	57%	0.574	S	S	.	*	H	α-helix	trans	-61.9	-34.1	171.1	-69.6	0	0	0	0	112.5	I520 E522 Y528 S529	I520-C525 VanDerWaalsContact CG2-SG 3.57Å; E522-C525 PolarHBondContact O-N 3.35Å; C525-Y528 PolarHBondContact O-N 3.18Å; C525-S529 PolarHBondContact O-N 2.81Å; C525-S529 VanDerWaalsContact O-N 3.09Å; C525-S529 PolarHBondContact O-OG 3.12Å
526	I	32.4	Very low	33.3	Very low	122 Å²	122	112.7 Å²	112.7	63%	0.626	56%	0.557	S	S	*	*	H	α-helix	trans	-75.6	-25.9	-174.5	-56.5	176	0	0	0	112.1	T524 S529 N530	T524-I526 VanDerWaalsContact C-N 3.26Å; T524-I526 PolarHBondContact O-N 3.28Å; I526-S529 PolarHBondContact O-OG 3.37Å; I526-N530 PolarHBondContact O-ND2 2.78Å; I526-N530 VanDerWaalsContact O-ND2 3.08Å
527	E	29.9	Very low	33.2	Very low	138 Å²	138	106.3 Å²	106.3	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-82.3	-35	174.5	-69	-172.7	138.8	0	0	111.8	T524 N530	T524-E527 PolarHBondContact O-N 2.84Å; E527-N530 PolarHBondContact O-ND2 3.19Å; E527-N530 VanDerWaalsContact O-ND2 3.09Å
528	Y	28.1	Very low	33.2	Very low	148 Å²	148	98.5 Å²	98.5	58%	0.58	50%	0.497	S	S	*	.	H	α-helix	trans	-74.7	-26.6	177.1	-92.3	-84.2	0	0	0	114.3	T524 C525 N530 Y531	T524-Y528 PolarHBondContact O-N 3.02Å; C525-Y528 PolarHBondContact O-N 3.18Å; Y528-N530 PolarHBondContact O-N 3.5Å; Y528-Y531 PolarHBondContact O-N 2.81Å
529	S	35.4	Very low	33.2	Very low	54 Å²	54	100.8 Å²	100.8	38%	0.378	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-59.5	-32.1	176	49	0	0	0	0	113.1	C525 I526 Y531 S532	C525-S529 PolarHBondContact O-N 2.81Å; C525-S529 VanDerWaalsContact O-N 3.09Å; C525-S529 PolarHBondContact O-OG 3.12Å; I526-S529 PolarHBondContact O-OG 3.37Å; S529-Y531 PolarHBondContact O-N 3.22Å; S529-S532 PolarHBondContact O-N 3Å
530	N	33.8	Very low	33	Very low	99 Å²	99	99.4 Å²	99.4	53%	0.529	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-63.1	-6.7	179.1	-56.3	-56.7	0	0	0	114.6	I526 E527 Y528	I526-N530 PolarHBondContact O-ND2 2.78Å; I526-N530 VanDerWaalsContact O-ND2 3.08Å; E527-N530 PolarHBondContact O-ND2 3.19Å; E527-N530 VanDerWaalsContact O-ND2 3.09Å; Y528-N530 PolarHBondContact O-N 3.5Å
531	Y	31.4	Very low	32.7	Very low	196 Å²	196	94.6 Å²	94.6	77%	0.769	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-119.8	-8.6	-175.1	-76	-77.5	0	0	0	114.7	Y528 S529	Y528-Y531 PolarHBondContact O-N 2.81Å; S529-Y531 PolarHBondContact O-N 3.22Å
532	S	34.4	Very low	32.2	Very low	38 Å²	38	100.7 Å²	100.7	27%	0.266	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	6.6	-159.7	93.8	0	0	0	0	118.2	I510 H511 S529	I510-S532 WeakPolarHBondContact O-CB 3.49Å; I510-S532 VanDerWaalsContact O-O 3.12Å; I510-S532 PolarHBondContact O-OG 3.24Å; H511-S532 PolarHBondContact ND1-OG 3.46Å; S529-S532 PolarHBondContact O-N 3Å
533	I	34.6	Very low	31.8	Very low	51 Å²	51	97.6 Å²	97.6	26%	0.262	46%	0.456	S	S	.	.			trans	-139.3	142	161.7	-88.7	149.2	0	0	0	108.7	L491 I510 L535	L491-I533 HydrophobicContact CD1-CD1 3.78Å; I510-I533 HydrophobicContact CG2-CD1 4.11Å; I533-L535 HydrophobicContact CG2-CD1 4.22Å; I533-L535 HydrophobicContact CG2-CD2 4.45Å; I533-L535 HydrophobicContact CG2-CG 3.85Å
534	K	34.6	Very low	31.2	Very low	101 Å²	101	93.3 Å²	93.3	44%	0.439	44%	0.442	S	S	.	.			trans	-129.2	110.2	171.3	-73	169.7	-172.1	153.2	0	109.6	D443	D443-K534 IonicContact OD2-NZ 2.7Å; D443-K534 PolarHBondContact OD2-NZ 2.87Å
535	L	33.8	Very low	30.9	Very low	24 Å²	24	96.5 Å²	96.5	13%	0.126	46%	0.457	C	S	.	.			trans	-90.5	138	179.8	-70.3	162.8	0	0	0	110.2	L438 L440 L479 I487 I533	L438-L535 HydrophobicContact CD1-CD2 3.59Å; L438-L535 HydrophobicContact CG-CD2 4.02Å; L440-L535 HydrophobicContact CD2-CD2 4.35Å; L479-L535 HydrophobicContact CD1-CD1 3.61Å; I487-L535 HydrophobicContact CD1-CD1 3.69Å; I533-L535 HydrophobicContact CG2-CD1 4.22Å; I533-L535 HydrophobicContact CG2-CD2 4.45Å; I533-L535 HydrophobicContact CG2-CG 3.85Å
536	W	34.4	Very low	30.6	Very low	92 Å²	92	97.6 Å²	97.6	35%	0.348	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-122.3	115	-175	-61.8	97.5	0	0	0	110.8	L471 Q473 A538	L471-W536 HydrophobicContact CB-CE3 4.4Å; L471-W536 HydrophobicContact CB-CZ3 3.93Å; L471-W536 HydrophobicContact CD2-CE3 4.3Å; Q473-W536 HydrophobicContact CG-CH2 3.68Å; Q473-W536 HydrophobicContact CG-CZ3 3.65Å; W536-A538 PolarHBondContact O-N 3.26Å
537	D	33.8	Very low	30.2	Very low	40 Å²	40	99.3 Å²	99.3	21%	0.214	47%	0.466	C	S	.	.			trans	-85.1	95.2	172.2	-171.2	-9.1	0	0	0	110.9	L474 R539	L474-D537 HydrophobicContact CD1-CB 4.38Å; D537-R539 PolarHBondContact O-N 2.8Å; D537-R539 WeakPolarHBondContact OD1-CB 3.39Å; D537-R539 WeakPolarHBondContact OD1-CG 3.19Å; D537-R539 IonicContact OD1-CZ 2.74Å; D537-R539 PolarHBondContact OD1-N 2.7Å; D537-R539 IonicContact OD1-NE 2.76Å; D537-R539 PolarHBondContact OD1-NE 3.45Å; D537-R539 IonicContact OD1-NH2 3.85Å; D537-R539 IonicContact OD2-CZ 3.61Å; D537-R539 VanDerWaalsContact OD2-CZ 3.25Å; D537-R539 IonicContact OD2-NE 2.69Å; D537-R539 PolarHBondContact OD2-NE 3.08Å; D537-R539 IonicContact OD2-NH2 3.13Å; D537-R539 PolarHBondContact OD2-NH2 3.29Å
538	A	32.6	Very low	30	Very low	24 Å²	24	95 Å²	95	20%	0.198	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	3.8	179	0	0	0	0	0	114.3	H431 W536 S541 F543	H431-A538 VanDerWaalsContact CE1-C 3.5Å; H431-A538 PolarHBondContact NE2-O 2.96Å; W536-A538 PolarHBondContact O-N 3.26Å; A538-S541 WeakPolarHBondContact CA-OG 3.31Å; A538-S541 PolarHBondContact O-OG 2.61Å; A538-S541 VanDerWaalsContact O-OG 3.12Å; A538-F543 HydrophobicContact CB-CE2 4.43Å
539	R	29.6	Very low	29.8	Very low	189 Å²	189	95.1 Å²	95.1	71%	0.713	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.8	176.4	-65	176.8	-68.2	-170.5	1.8	113	H431 D537	H431-R539 PolarHBondContact NE2-N 3.26Å; D537-R539 PolarHBondContact O-N 2.8Å; D537-R539 WeakPolarHBondContact OD1-CB 3.39Å; D537-R539 WeakPolarHBondContact OD1-CG 3.19Å; D537-R539 IonicContact OD1-CZ 2.74Å; D537-R539 PolarHBondContact OD1-N 2.7Å; D537-R539 IonicContact OD1-NE 2.76Å; D537-R539 PolarHBondContact OD1-NE 3.45Å; D537-R539 IonicContact OD1-NH2 3.85Å; D537-R539 IonicContact OD2-CZ 3.61Å; D537-R539 VanDerWaalsContact OD2-CZ 3.25Å; D537-R539 IonicContact OD2-NE 2.69Å; D537-R539 PolarHBondContact OD2-NE 3.08Å; D537-R539 IonicContact OD2-NH2 3.13Å; D537-R539 PolarHBondContact OD2-NH2 3.29Å
540	V	28.8	Very low	29.3	Very low	83 Å²	83	99 Å²	99	50%	0.503	47%	0.47	S	S	.	.	S	Bend	trans	-97.2	-14.8	-173.6	-156.6	0	0	0	0	112.9	L472 R542	L472-V540 HydrophobicContact CD1-CB 4.06Å; L472-V540 HydrophobicContact CD1-CG1 3.87Å; L472-V540 HydrophobicContact CD1-CG2 4.08Å; V540-R542 PolarHBondContact O-N 2.91Å
541	S	29.6	Very low	29.1	Very low	8 Å²	8	97.7 Å²	97.7	6%	0.056	46%	0.462	C	S	.	.			trans	-81.5	108.2	-174.1	46.8	0	0	0	0	114.1	S470 A538 F543	S470-S541 WeakPolarHBondContact O-CA 3.42Å; S470-S541 WeakPolarHBondContact O-CB 3.11Å; A538-S541 WeakPolarHBondContact CA-OG 3.31Å; A538-S541 PolarHBondContact O-OG 2.61Å; A538-S541 VanDerWaalsContact O-OG 3.12Å; S541-F543 VanDerWaalsContact C-N 3.33Å; S541-F543 PolarHBondContact O-N 2.81Å; S541-F543 WeakPolarHBondContact OG-CE2 3.25Å; S541-F543 WeakPolarHBondContact OG-CZ 3.49Å
542	R	24.5	Very low	29.1	Very low	224 Å²	224	95.1 Å²	95.1	85%	0.845	46%	0.457	S	S	*	.			trans	-71.1	86	161.1	-80.8	-172.8	173	-178.4	-0.8	110.3	V540 N544	V540-R542 PolarHBondContact O-N 2.91Å; R542-N544 PolarHBondContact O-N 2.72Å
543	F	28	Very low	29.2	Very low	112 Å²	112	97 Å²	97	49%	0.491	46%	0.46	S	S	.	.			trans	-69.9	96.4	175.2	-72.8	-67.9	0	0	0	112.2	L471 A538 S541 L545	L471-F543 HydrophobicContact CD2-CE1 3.86Å; L471-F543 HydrophobicContact CD2-CZ 3.88Å; A538-F543 HydrophobicContact CB-CE2 4.43Å; S541-F543 VanDerWaalsContact C-N 3.33Å; S541-F543 PolarHBondContact O-N 2.81Å; S541-F543 WeakPolarHBondContact OG-CE2 3.25Å; S541-F543 WeakPolarHBondContact OG-CZ 3.49Å; F543-L545 PolarHBondContact O-N 3.42Å
544	N	23.1	Very low	29.4	Very low	93 Å²	93	101.8 Å²	101.8	50%	0.497	49%	0.486	S	S	.	.			trans	-64.1	121.5	155.4	-79.4	-10.5	0	0	0	108.2	Y466 R542 V546	Y466-N544 WeakPolarHBondContact CD1-ND2 3.34Å; Y466-N544 HydrophobicContact CD2-CB 3.96Å; Y466-N544 WeakPolarHBondContact CE1-ND2 3.33Å; Y466-N544 HydrophobicContact CE2-CB 4.2Å; Y466-N544 HydrophobicContact CG-CB 4.19Å; R542-N544 PolarHBondContact O-N 2.72Å; N544-V546 VanDerWaalsContact C-N 3.31Å; N544-V546 PolarHBondContact O-N 2.74Å
545	L	25.7	Very low	30.1	Very low	122 Å²	122	103.3 Å²	103.3	64%	0.639	50%	0.498	S	S	*	.			trans	-81.2	76.2	-167.3	-157.8	160	0	0	0	111	F543 E547	F543-L545 PolarHBondContact O-N 3.42Å; L545-E547 HydrophobicContact CD2-CG 4.33Å; L545-E547 PolarHBondContact O-N 3.13Å
546	V	25	Very low	31.2	Very low	92 Å²	92	103.2 Å²	103.2	56%	0.558	50%	0.499	S	S	*	.			trans	-70.7	113.1	172.4	-178.8	0	0	0	0	108.9	Y466 N544 S548	Y466-V546 HydrophobicContact CD2-CG2 4.13Å; N544-V546 VanDerWaalsContact C-N 3.31Å; N544-V546 PolarHBondContact O-N 2.74Å; V546-S548 PolarHBondContact O-N 2.76Å; V546-S548 PolarHBondContact O-OG 2.9Å
547	E	24.3	Very low	32.7	Very low	157 Å²	157	101 Å²	101	73%	0.734	50%	0.496	S	S	*	.			trans	-64.5	95.5	175.2	-68.9	-158.1	123.8	0	0	110.5	L545	L545-E547 HydrophobicContact CD2-CG 4.33Å; L545-E547 PolarHBondContact O-N 3.13Å
548	S	24.6	Very low	34.8	Very low	48 Å²	48	103.7 Å²	103.7	34%	0.336	52%	0.516	S	S	.	.			trans	-111.3	121.2	-178.5	32.5	0	0	0	0	109.1	V546 Y550	V546-S548 PolarHBondContact O-N 2.76Å; V546-S548 PolarHBondContact O-OG 2.9Å; S548-Y550 VanDerWaalsContact C-N 3.28Å; S548-Y550 PolarHBondContact O-N 2.94Å; S548-Y550 WeakPolarHBondContact OG-CE2 3.42Å
549	N	24.3	Very low	37	Very low	151 Å²	151	103.8 Å²	103.8	81%	0.807	51%	0.511	S	S	*	.			trans	-77.9	72.6	-171.3	-65.4	-46.7	0	0	0	111.3	I551	N549-I551 PolarHBondContact O-N 3.15Å
550	Y	24.9	Very low	39.1	Very low	136 Å²	136	101.1 Å²	101.1	53%	0.533	51%	0.505	S	S	.	.			trans	-73.3	49.4	179.8	-81.4	-70.4	0	0	0	114	W418 S548	W418-Y550 AromaticContact CD2-CD2 3.77Å; W418-Y550 HydrophobicContact CD2-CD2 3.77Å; W418-Y550 AromaticContact CD2-CG 3.99Å; W418-Y550 HydrophobicContact CD2-CG 3.99Å; W418-Y550 AromaticContact CE2-CD2 3.82Å; W418-Y550 AromaticContact CE3-CD2 3.83Å; W418-Y550 HydrophobicContact CE3-CD2 3.83Å; W418-Y550 HydrophobicContact CE3-CG 4.37Å; W418-Y550 HydrophobicContact CG-CD2 4.39Å; W418-Y550 HydrophobicContact CG-CG 4.12Å; W418-Y550 HydrophobicContact CH2-CD2 4.07Å; W418-Y550 HydrophobicContact CH2-CE2 4.3Å; W418-Y550 AromaticContact CZ2-CD2 3.99Å; W418-Y550 HydrophobicContact CZ2-CD2 3.99Å; W418-Y550 HydrophobicContact CZ2-CE2 4.18Å; W418-Y550 AromaticContact CZ3-CD2 3.98Å; W418-Y550 HydrophobicContact CZ3-CD2 3.98Å; S548-Y550 VanDerWaalsContact C-N 3.28Å; S548-Y550 PolarHBondContact O-N 2.94Å; S548-Y550 WeakPolarHBondContact OG-CE2 3.42Å
551	I	29.8	Very low	41	Very low	71 Å²	71	100.7 Å²	100.7	36%	0.364	51%	0.506	S	S	.	.			trans	-139.2	71.9	175.1	-44.6	175.5	0	0	0	108.6	Y415 L419 N549 F553	Y415-I551 HydrophobicContact CE1-CG2 4.09Å; L419-I551 HydrophobicContact CD2-CD1 3.58Å; L419-I551 HydrophobicContact CD2-CG1 4.43Å; L419-I551 HydrophobicContact CG-CD1 3.8Å; L419-I551 HydrophobicContact CG-CG1 4.14Å; N549-I551 PolarHBondContact O-N 3.15Å; I551-F553 HydrophobicContact CG2-CD2 3.23Å; I551-F553 HydrophobicContact CG2-CE2 3.4Å; I551-F553 VanDerWaalsContact CG2-CE2 3.4Å; I551-F553 HydrophobicContact CG2-CG 4.22Å; I551-F553 HydrophobicContact CG2-CZ 4.48Å; I551-F553 PolarHBondContact O-N 3.3Å
552	H	31	Very low	42.8	Very low	142 Å²	142	107.6 Å²	107.6	66%	0.657	54%	0.542	S	S	*	.			trans	-71.5	75.8	158.5	-84.3	-65.4	0	0	0	109.8	Y415	Y415-H552 PolarHBondContact OH-O 3.42Å
553	F	36.2	Very low	45.1	Very low	76 Å²	76	98.2 Å²	98.2	33%	0.333	51%	0.508	S	S	.	.	S	Bend	trans	-67.7	167.9	136.1	-68.8	-69	0	0	0	106.4	Y415 I551 L555 R568	Y415-F553 HydrophobicContact CE1-CE1 4.04Å; Y415-F553 HydrophobicContact CE1-CE2 4.06Å; Y415-F553 AromaticContact CE1-CZ 3.76Å; Y415-F553 HydrophobicContact CE1-CZ 3.76Å; Y415-F553 WeakPolarHBondContact OH-CA 3.43Å; Y415-F553 WeakPolarHBondContact OH-CD1 3.19Å; Y415-F553 VanDerWaalsContact OH-CD2 3.28Å; Y415-F553 WeakPolarHBondContact OH-CD2 3.25Å; Y415-F553 WeakPolarHBondContact OH-CE1 3.38Å; Y415-F553 WeakPolarHBondContact OH-CG 3.24Å; Y415-F553 PolarHBondContact OH-N 3.33Å; I551-F553 HydrophobicContact CG2-CD2 3.23Å; I551-F553 HydrophobicContact CG2-CE2 3.4Å; I551-F553 VanDerWaalsContact CG2-CE2 3.4Å; I551-F553 HydrophobicContact CG2-CG 4.22Å; I551-F553 HydrophobicContact CG2-CZ 4.48Å; I551-F553 PolarHBondContact O-N 3.3Å; F553-L555 PolarHBondContact O-N 2.82Å; F553-R568 VanDerWaalsContact CG-NH1 3.31Å
554	N	39.7	Very low	46.9	Very low	152 Å²	152	94.9 Å²	94.9	81%	0.813	51%	0.506	S	S	*	.	S	Bend	trans	-49.8	123.3	170.5	-79.1	-3.1	0	0	0	108.5	S556	N554-S556 PolarHBondContact O-N 2.93Å; N554-S556 VanDerWaalsContact O-N 3.12Å
555	L	49.2	Very low	49.1	Very low	134 Å²	134	92.7 Å²	92.7	70%	0.702	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-49	123.5	-178	-84.8	165.1	0	0	0	107.9	F553 T557	F553-L555 PolarHBondContact O-N 2.82Å; L555-T557 PolarHBondContact O-N 3.41Å
556	S	56.2	Low	51.2	Low	21 Å²	21	90.9 Å²	90.9	15%	0.147	48%	0.48	C	S	.	.			trans	-54.9	106.6	-169.9	31.8	0	0	0	0	109	N554 R568 S570 D676 Q677	N554-S556 PolarHBondContact O-N 2.93Å; N554-S556 VanDerWaalsContact O-N 3.12Å; S556-R568 CarbonylContact C-O 3.59Å; S556-R568 WeakPolarHBondContact CA-O 3.3Å; S556-S570 WeakPolarHBondContact O-CB 3.46Å; S556-D676 VanDerWaalsContact CB-OD1 3.24Å; S556-D676 WeakPolarHBondContact CB-OD1 3.42Å; S556-D676 PolarHBondContact OG-OD1 2.96Å; S556-Q677 VanDerWaalsContact CB-NE2 3.3Å; S556-Q677 PolarHBondContact OG-NE2 3.38Å; S556-Q677 VanDerWaalsContact OG-NE2 3.13Å
557	T	66.1	Low	53.2	Low	46 Å²	46	88.7 Å²	88.7	28%	0.282	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	133.4	-165.7	51.9	0	0	0	0	108.5	L555 Y559 L563 T567 R568 C569 S570	L555-T557 PolarHBondContact O-N 3.41Å; T557-Y559 PolarHBondContact O-N 3.13Å; T557-L563 WeakPolarHBondContact OG1-CD2 3.36Å; T557-T567 HydrophobicContact CG2-CG2 4.43Å; T557-T567 WeakPolarHBondContact OG1-CG2 3.46Å; T557-R568 PolarHBondContact N-O 3.15Å; T557-R568 PolarHBondContact OG1-O 2.96Å; T557-C569 CarbonylContact O-C 3.56Å; T557-C569 VanDerWaalsContact O-CA 3.24Å; T557-C569 WeakPolarHBondContact O-CA 3.18Å; T557-S570 PolarHBondContact O-N 3.46Å
558	P	77.3	Confident	55.4	Low	97 Å²	97	85 Å²	85	63%	0.63	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.6	129.9	172.9	-27.6	34.9	0	0	0	109.7	K560	P558-K560 PolarHBondContact O-N 3.12Å
559	Y	78.2	Confident	57.8	Low	25 Å²	25	82.7 Å²	82.7	10%	0.098	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-52.8	139.5	-176	174.6	-94.2	0	0	0	112	T557 L563 S570 V571 I625 D627 I635 F680 I685	T557-Y559 PolarHBondContact O-N 3.13Å; Y559-L563 HydrophobicContact CD2-CD1 4.26Å; Y559-S570 PolarHBondContact N-O 2.75Å; Y559-V571 HydrophobicContact CD1-CG2 4.27Å; Y559-V571 HydrophobicContact CD2-CG2 4.4Å; Y559-V571 HydrophobicContact CG-CB 4.28Å; Y559-V571 HydrophobicContact CG-CG2 3.8Å; Y559-I625 HydrophobicContact CD1-CG2 3.84Å; Y559-I625 HydrophobicContact CE1-CG2 4.32Å; Y559-D627 WeakPolarHBondContact CD1-OD1 3.23Å; Y559-D627 VanDerWaalsContact CE1-OD1 3.22Å; Y559-D627 WeakPolarHBondContact CE1-OD1 3.33Å; Y559-I635 HydrophobicContact CD1-CD1 4.39Å; Y559-I635 HydrophobicContact CD2-CD1 4.22Å; Y559-I635 HydrophobicContact CE1-CD1 3.72Å; Y559-I635 HydrophobicContact CE2-CD1 3.52Å; Y559-I635 WeakPolarHBondContact OH-CD1 3.08Å; Y559-F680 HydrophobicContact CD2-CD2 4.28Å; Y559-F680 AromaticContact CE2-CD2 3.68Å; Y559-F680 HydrophobicContact CE2-CD2 3.68Å; Y559-F680 AromaticContact CE2-CE2 3.55Å; Y559-F680 HydrophobicContact CE2-CE2 3.55Å; Y559-F680 HydrophobicContact CE2-CZ 4.34Å; Y559-I685 HydrophobicContact CD2-CD1 4.46Å
560	K	74.9	Confident	60.7	Low	133 Å²	133	77.5 Å²	77.5	58%	0.578	41%	0.405	S	S	*	.			trans	-148.2	145.9	171.6	-61.6	-176.7	-178.4	179.6	0	108.7	P558 N562 L563	P558-K560 PolarHBondContact O-N 3.12Å; K560-N562 PolarHBondContact O-N 3.1Å; K560-L563 HydrophobicContact CB-CG 4.27Å; K560-L563 WeakPolarHBondContact O-CG 3.45Å; K560-L563 PolarHBondContact O-N 3.48Å; K560-L563 VanDerWaalsContact O-N 3.14Å
561	S	67.8	Low	63.6	Low	75 Å²	75	71.1 Å²	71.1	52%	0.524	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-17.6	174.6	49.7	0	0	0	0	115.5
562	N	69	Low	66.1	Low	152 Å²	152	69.9 Å²	69.9	81%	0.813	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	26.1	179.4	-61.7	-17.1	0	0	0	113.1	K560	K560-N562 PolarHBondContact O-N 3.1Å
563	L	71.3	Confident	68.5	Low	27 Å²	27	63.2 Å²	63.2	14%	0.141	35%	0.348	C	S	.	.			trans	-67.4	149.5	168	-74	176.4	0	0	0	110.3	T557 Y559 K560 T567 C569 F680	T557-L563 WeakPolarHBondContact OG1-CD2 3.36Å; Y559-L563 HydrophobicContact CD2-CD1 4.26Å; K560-L563 HydrophobicContact CB-CG 4.27Å; K560-L563 WeakPolarHBondContact O-CG 3.45Å; K560-L563 PolarHBondContact O-N 3.48Å; K560-L563 VanDerWaalsContact O-N 3.14Å; L563-T567 HydrophobicContact CD2-CG2 4.24Å; L563-C569 HydrophobicContact CD1-CB 3.83Å; L563-F680 HydrophobicContact CB-CD1 3.56Å; L563-F680 HydrophobicContact CB-CE1 3.92Å; L563-F680 HydrophobicContact CB-CG 4.23Å; L563-F680 HydrophobicContact CD1-CB 4.5Å; L563-F680 HydrophobicContact CD1-CG 4.49Å; L563-F680 WeakPolarHBondContact O-CE1 3.38Å
564	G	66.9	Low	70.6	Confident	43 Å²	43	62 Å²	62	44%	0.443	34%	0.341	S	S	.	.			trans	-73.6	144.2	170.5	0	0	0	0	0	111	T567	G564-T567 WeakPolarHBondContact O-CB 3.44Å; G564-T567 PolarHBondContact O-N 3.06Å; G564-T567 VanDerWaalsContact O-N 3.12Å; G564-T567 PolarHBondContact O-OG1 2.85Å
565	N	69.2	Low	72.7	Confident	47 Å²	47	54.7 Å²	54.7	25%	0.251	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	147.5	167.6	-72	-69.5	0	0	0	111.7	T567 F680 F681 D682	N565-T567 PolarHBondContact O-N 3.05Å; N565-F680 CarbonylContact C-O 3.57Å; N565-F681 VanDerWaalsContact OD1-CA 3.24Å; N565-F681 WeakPolarHBondContact OD1-CA 3.37Å; N565-D682 PolarHBondContact ND2-OD1 3.48Å; N565-D682 PolarHBondContact ND2-OD2 2.69Å; N565-D682 PolarHBondContact OD1-N 3.44Å; N565-D682 PolarHBondContact OD1-OD1 2.98Å; N565-D682 PolarHBondContact OD1-OD2 2.88Å
566	Y	69.6	Low	74.3	Confident	83 Å²	83	48.3 Å²	48.3	33%	0.325	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	2.7	-176.5	-37.7	-78.2	0	0	0	115.2	L605 L608 F680 F681	Y566-L605 HydrophobicContact CE2-CD1 3.7Å; Y566-L608 HydrophobicContact CE1-CD2 3.94Å; Y566-L608 HydrophobicContact CE1-CG 3.97Å; Y566-L608 VanDerWaalsContact OH-CD1 3.26Å; Y566-L608 WeakPolarHBondContact OH-CD1 3.33Å; Y566-L608 WeakPolarHBondContact OH-CD2 3.06Å; Y566-L608 VanDerWaalsContact OH-CG 3.29Å; Y566-L608 WeakPolarHBondContact OH-CG 3.34Å; Y566-F680 PolarHBondContact N-O 2.93Å; Y566-F681 AromaticContact CD1-CE1 3.9Å; Y566-F681 HydrophobicContact CD1-CE1 3.9Å; Y566-F681 AromaticContact CD1-CZ 3.88Å; Y566-F681 HydrophobicContact CD1-CZ 3.88Å; Y566-F681 HydrophobicContact CE1-CD1 4.19Å; Y566-F681 AromaticContact CE1-CE1 3.33Å; Y566-F681 HydrophobicContact CE1-CE1 3.33Å; Y566-F681 AromaticContact CE1-CZ 3.73Å; Y566-F681 HydrophobicContact CE1-CZ 3.73Å; Y566-F681 AromaticContact CZ-CE1 3.98Å
567	T	65.6	Low	75.6	Confident	46 Å²	46	48.1 Å²	48.1	28%	0.282	27%	0.266	S	S	.	.			trans	-68.9	135.4	171.7	-54.2	0	0	0	0	109.7	T557 L563 G564 N565 C569 F680	T557-T567 HydrophobicContact CG2-CG2 4.43Å; T557-T567 WeakPolarHBondContact OG1-CG2 3.46Å; L563-T567 HydrophobicContact CD2-CG2 4.24Å; G564-T567 WeakPolarHBondContact O-CB 3.44Å; G564-T567 PolarHBondContact O-N 3.06Å; G564-T567 VanDerWaalsContact O-N 3.12Å; G564-T567 PolarHBondContact O-OG1 2.85Å; N565-T567 PolarHBondContact O-N 3.05Å; T567-C569 PolarHBondContact O-N 2.88Å; T567-F680 PolarHBondContact O-N 3.42Å
568	R	70.8	Confident	76.6	Confident	80 Å²	80	46.7 Å²	46.7	30%	0.302	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.9	170.4	-71.6	-166.4	-173.9	-177.2	4.5	110.4	F553 S556 T557 Q677 G678 L679	F553-R568 VanDerWaalsContact CG-NH1 3.31Å; S556-R568 CarbonylContact C-O 3.59Å; S556-R568 WeakPolarHBondContact CA-O 3.3Å; T557-R568 PolarHBondContact N-O 3.15Å; T557-R568 PolarHBondContact OG1-O 2.96Å; R568-Q677 VanDerWaalsContact CD-OE1 3.23Å; R568-G678 CarbonylContact C-O 3.39Å; R568-G678 VanDerWaalsContact CA-O 3.25Å; R568-G678 WeakPolarHBondContact CA-O 3.28Å; R568-L679 HydrophobicContact CG-CD2 3.78Å
569	C	75.8	Confident	76.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149.6	175.6	60.7	0	0	0	0	111.8	T557 L563 T567 Q677 G678 F680	T557-C569 CarbonylContact O-C 3.56Å; T557-C569 VanDerWaalsContact O-CA 3.24Å; T557-C569 WeakPolarHBondContact O-CA 3.18Å; L563-C569 HydrophobicContact CD1-CB 3.83Å; T567-C569 PolarHBondContact O-N 2.88Å; C569-Q677 PolarHBondContact O-N 2.8Å; C569-G678 PolarHBondContact N-O 3.43Å; C569-G678 PolarHBondContact O-N 2.69Å; C569-G678 VanDerWaalsContact O-N 3.16Å; C569-G678 PolarHBondContact SG-O 2.81Å; C569-F680 HydrophobicContact CB-CB 4.48Å
570	S	84.4	Confident	76.6	Confident	41 Å²	41	42.1 Å²	42.1	29%	0.287	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.2	152.7	-175.2	0	0	0	0	106.7	S556 T557 Y559 I675	S556-S570 WeakPolarHBondContact O-CB 3.46Å; T557-S570 PolarHBondContact O-N 3.46Å; Y559-S570 PolarHBondContact N-O 2.75Å; S570-I675 WeakPolarHBondContact CA-O 3.5Å
571	V	85.8	Confident	76.5	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139	-179.1	67.3	0	0	0	0	109.9	Y559 L623 I625 I675 I685	Y559-V571 HydrophobicContact CD1-CG2 4.27Å; Y559-V571 HydrophobicContact CD2-CG2 4.4Å; Y559-V571 HydrophobicContact CG-CB 4.28Å; Y559-V571 HydrophobicContact CG-CG2 3.8Å; V571-L623 HydrophobicContact CG1-CD1 4.47Å; V571-I625 HydrophobicContact CG2-CD1 3.4Å; V571-I625 HydrophobicContact CG2-CG1 3.71Å; V571-I625 HydrophobicContact CG2-CG2 4.11Å; V571-I675 HydrophobicContact CG1-CB 3.72Å; V571-I675 HydrophobicContact CG1-CD1 3.8Å; V571-I675 HydrophobicContact CG1-CG1 4.11Å; V571-I675 HydrophobicContact CG1-CG2 4.49Å; V571-I675 PolarHBondContact N-O 2.95Å; V571-I675 PolarHBondContact O-N 2.94Å; V571-I685 HydrophobicContact CB-CD1 4.32Å; V571-I685 HydrophobicContact CG1-CD1 3.71Å
572	S	84	Confident	76.7	Confident	45 Å²	45	35.5 Å²	35.5	32%	0.315	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.2	174.4	66.2	0	0	0	0	110.6	Y672 I673	S572-Y672 VanDerWaalsContact CB-OH 3.25Å; S572-Y672 WeakPolarHBondContact CB-OH 3.28Å; S572-Y672 PolarHBondContact OG-OH 3.29Å; S572-I673 VanDerWaalsContact CA-O 3.25Å; S572-I673 WeakPolarHBondContact CA-O 3.46Å
573	G	80.8	Confident	77.2	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-175.9	-171	0	0	0	0	0	111.5	W624 Y672 I673	G573-W624 CarbonylContact C-O 3.58Å; G573-W624 WeakPolarHBondContact CA-O 3.22Å; G573-Y672 WeakPolarHBondContact O-CA 3.48Å; G573-Y672 WeakPolarHBondContact O-CD2 3.41Å; G573-I673 PolarHBondContact N-O 3.22Å; G573-I673 PolarHBondContact O-N 3.26Å
574	Y	81.1	Confident	77.7	Confident	50 Å²	50	28.9 Å²	28.9	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.1	-175.1	-63.9	-94.1	0	0	0	111	V576 L623 W624 V671 Y672 L708 L712	Y574-V576 PolarHBondContact O-N 2.9Å; Y574-L623 WeakPolarHBondContact O-CA 3.31Å; Y574-W624 PolarHBondContact N-O 2.91Å; Y574-W624 PolarHBondContact O-N 3.39Å; Y574-V671 CarbonylContact C-O 3.57Å; Y574-V671 WeakPolarHBondContact CA-O 3.42Å; Y574-Y672 HydrophobicContact CD1-CD2 4.11Å; Y574-Y672 HydrophobicContact CD2-CD2 4Å; Y574-Y672 AromaticContact CE1-CD2 3.87Å; Y574-Y672 HydrophobicContact CE1-CD2 3.87Å; Y574-Y672 HydrophobicContact CE1-CG 4.29Å; Y574-Y672 AromaticContact CE2-CD2 3.74Å; Y574-Y672 HydrophobicContact CE2-CD2 3.74Å; Y574-Y672 HydrophobicContact CE2-CE2 4.12Å; Y574-Y672 HydrophobicContact CG-CD2 4.19Å; Y574-Y672 AromaticContact CZ-CD2 3.68Å; Y574-L708 HydrophobicContact CE1-CD2 4.16Å; Y574-L712 VanDerWaalsContact CB-CD2 3.48Å; Y574-L712 HydrophobicContact CD1-CD1 4.11Å; Y574-L712 HydrophobicContact CD1-CD2 3.88Å; Y574-L712 HydrophobicContact CD2-CD1 3.35Å; Y574-L712 HydrophobicContact CD2-CD2 4.42Å; Y574-L712 HydrophobicContact CE1-CD1 4.5Å; Y574-L712 HydrophobicContact CE2-CD1 3.83Å; Y574-L712 HydrophobicContact CG-CD1 3.5Å; Y574-L712 VanDerWaalsContact CG-CD1 3.5Å; Y574-L712 HydrophobicContact CG-CD2 3.68Å; Y574-L712 HydrophobicContact CG-CG 4.23Å
575	L	82.9	Confident	78.6	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	122	171.9	-177.3	59.7	0	0	0	109.5	F621 P646 M647 I650 F669 G670 V671 I673	L575-F621 HydrophobicContact CD1-CB 3.83Å; L575-F621 HydrophobicContact CD1-CD2 3.89Å; L575-F621 HydrophobicContact CD1-CG 4.22Å; L575-P646 HydrophobicContact CD1-CB 4.32Å; L575-P646 HydrophobicContact CD2-CB 3.75Å; L575-M647 HydrophobicContact CD2-SD 4.17Å; L575-I650 HydrophobicContact CD2-CD1 3.69Å; L575-F669 CarbonylContact O-C 3.58Å; L575-F669 WeakPolarHBondContact O-CA 3.45Å; L575-G670 PolarHBondContact O-N 2.9Å; L575-V671 HydrophobicContact CB-CB 4.41Å; L575-V671 PolarHBondContact N-O 3.02Å; L575-I673 HydrophobicContact CB-CD1 3.75Å; L575-I673 HydrophobicContact CD1-CD1 4.27Å; L575-I673 HydrophobicContact CD2-CD1 4.14Å; L575-I673 HydrophobicContact CG-CD1 4.28Å
576	V	81.8	Confident	79.4	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-48.9	176	-175.7	0	0	0	0	109.7	Y574 Y622 W624 L634 F669 I872 L901	Y574-V576 PolarHBondContact O-N 2.9Å; V576-Y622 PolarHBondContact N-O 3Å; V576-W624 HydrophobicContact CG2-CB 3.59Å; V576-L634 HydrophobicContact CB-CD1 4.26Å; V576-L634 HydrophobicContact CG2-CD1 3.72Å; V576-F669 HydrophobicContact CG1-CD2 4.21Å; V576-F669 HydrophobicContact CG1-CE2 3.77Å; V576-F669 HydrophobicContact CG1-CZ 4.45Å; V576-F669 WeakPolarHBondContact O-CD2 3.44Å; V576-I872 HydrophobicContact CG1-CD1 4.05Å; V576-L901 HydrophobicContact CG1-CD1 3.89Å; V576-L901 HydrophobicContact CG1-CD2 3.56Å; V576-L901 HydrophobicContact CG1-CG 4.38Å
577	L	85.4	Confident	80	Confident	16 Å²	16	25.2 Å²	25.2	8%	0.084	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	133.2	-172.8	179.5	66.8	0	0	0	110.6	P579 F621 Y622 T667 I872 I899	L577-P579 HydrophobicContact CD2-CG 4.22Å; L577-P579 HydrophobicContact CG-CG 4.22Å; L577-F621 CarbonylContact O-C 3.55Å; L577-F621 WeakPolarHBondContact O-CA 3.32Å; L577-F621 WeakPolarHBondContact O-CB 3.13Å; L577-Y622 HydrophobicContact CB-CD2 4.27Å; L577-Y622 HydrophobicContact CD2-CD2 4.25Å; L577-Y622 PolarHBondContact O-N 2.93Å; L577-T667 HydrophobicContact CD1-CG2 4.18Å; L577-I872 HydrophobicContact CB-CD1 4.33Å; L577-I872 HydrophobicContact CD2-CD1 4.22Å; L577-I899 HydrophobicContact CD2-CB 4.44Å; L577-I899 HydrophobicContact CD2-CD1 3.8Å; L577-I899 HydrophobicContact CD2-CG2 3.89Å
578	E	85.3	Confident	80.9	Confident	17 Å²	17	23.3 Å²	23.3	8%	0.079	13%	0.128	C	C	.	.			trans	-118.8	107.1	159.1	-178	-179.4	161.5	0	0	106.3	A580 R619 F621 S645 P646 M647	E578-A580 PolarHBondContact O-N 3.13Å; E578-R619 IonicContact OE1-CZ 2.84Å; E578-R619 IonicContact OE1-NH1 3.13Å; E578-R619 PolarHBondContact OE1-NH1 3.45Å; E578-F621 HydrophobicContact CB-CB 3.95Å; E578-F621 HydrophobicContact CG-CB 4.19Å; E578-S645 WeakPolarHBondContact OE1-CB 3.45Å; E578-S645 PolarHBondContact OE1-OG 3.17Å; E578-S645 PolarHBondContact OE2-OG 3.11Å; E578-P646 WeakPolarHBondContact OE2-CD 3.46Å; E578-M647 HydrophobicContact CB-CG 4.05Å; E578-M647 HydrophobicContact CG-CG 4.49Å; E578-M647 WeakPolarHBondContact OE2-CB 3.28Å; E578-M647 VanDerWaalsContact OE2-CG 3.25Å; E578-M647 WeakPolarHBondContact OE2-CG 3.19Å; E578-M647 PolarHBondContact OE2-N 2.65Å
579	P	82.3	Confident	81.7	Confident	13 Å²	13	19.5 Å²	19.5	8%	0.084	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-59.3	131.4	174	-25	36.5	0	0	0	110.6	L577 V585 K586 I589 I620	L577-P579 HydrophobicContact CD2-CG 4.22Å; L577-P579 HydrophobicContact CG-CG 4.22Å; P579-V585 HydrophobicContact CB-CG1 4.32Å; P579-V585 HydrophobicContact CG-CG1 4.21Å; P579-K586 HydrophobicContact CB-CB 4.11Å; P579-I589 HydrophobicContact CG-CD1 3.87Å; P579-I620 VanDerWaalsContact CD-O 3.27Å; P579-I620 WeakPolarHBondContact CD-O 3.41Å
580	A	74.7	Confident	82	Confident	12 Å²	12	20.6 Å²	20.6	10%	0.099	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-68.1	157.6	-174.2	0	0	0	0	0	112.1	E578 G582 S583 W755	E578-A580 PolarHBondContact O-N 3.13Å; A580-G582 PolarHBondContact O-N 3.37Å; A580-S583 WeakPolarHBondContact O-CB 3.22Å; A580-S583 PolarHBondContact O-N 2.87Å; A580-S583 VanDerWaalsContact O-N 3.11Å; A580-W755 HydrophobicContact CB-CZ2 4.15Å
581	E	71.9	Confident	81.9	Confident	43 Å²	43	23.7 Å²	23.7	20%	0.201	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	130.5	174	-156.8	161.7	-124.1	0	0	109.6	W755 C763 A764 R789	E581-W755 PolarHBondContact O-NE1 3.12Å; E581-C763 WeakPolarHBondContact OE2-CA 3.48Å; E581-C763 WeakPolarHBondContact OE2-CB 3.4Å; E581-C763 PolarHBondContact OE2-SG 2.91Å; E581-A764 HydrophobicContact CB-CB 4.46Å; E581-A764 VanDerWaalsContact O-CB 3.28Å; E581-A764 WeakPolarHBondContact O-CB 3.41Å; E581-R789 IonicContact OE1-NH1 3.57Å; E581-R789 PolarHBondContact OE1-NH1 2.56Å; E581-R789 IonicContact OE2-CZ 2.66Å; E581-R789 IonicContact OE2-NH1 3.8Å; E581-R789 PolarHBondContact OE2-NH1 2.85Å
582	G	71.4	Confident	81.9	Confident	26 Å²	26	24.9 Å²	24.9	27%	0.268	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	0.3	-174.1	0	0	0	0	0	116.5	R16 A580	R16-G582 PolarHBondContact NH2-O 3.31Å; A580-G582 PolarHBondContact O-N 3.37Å
583	S	80.3	Confident	81.8	Confident	9 Å²	9	23 Å²	23	6%	0.063	12%	0.123	C	C	.	.			trans	-72.7	138.5	174.7	177.4	0	0	0	0	112.5	A580 K586 E802	A580-S583 WeakPolarHBondContact O-CB 3.22Å; A580-S583 PolarHBondContact O-N 2.87Å; A580-S583 VanDerWaalsContact O-N 3.11Å; S583-K586 VanDerWaalsContact O-CB 3.26Å; S583-K586 WeakPolarHBondContact O-CB 3.45Å; S583-K586 PolarHBondContact O-N 2.95Å; S583-E802 WeakPolarHBondContact CA-OE2 3.36Å; S583-E802 VanDerWaalsContact CB-OE2 3.22Å; S583-E802 WeakPolarHBondContact CB-OE2 3.47Å; S583-E802 PolarHBondContact OG-OE2 3.15Å
584	L	82.6	Confident	81.7	Confident	31 Å²	31	26.1 Å²	26.1	16%	0.162	14%	0.137	C	C	.	.	H	α-helix	trans	-76.4	-26.7	179.2	-63.9	172.1	0	0	0	112.3	K586 D587 I588 R751 E802	L584-K586 PolarHBondContact O-N 3.2Å; L584-D587 WeakPolarHBondContact O-CB 3.39Å; L584-D587 PolarHBondContact O-N 3.21Å; L584-D587 VanDerWaalsContact O-N 3.11Å; L584-I588 PolarHBondContact O-N 2.97Å; L584-R751 HydrophobicContact CD1-CB 4.23Å; L584-R751 WeakPolarHBondContact CD1-O 3.11Å; L584-E802 WeakPolarHBondContact CA-OE1 3.46Å; L584-E802 WeakPolarHBondContact CB-OE1 3.2Å; L584-E802 PolarHBondContact N-OE1 2.77Å; L584-E802 PolarHBondContact N-OE2 2.87Å
585	V	85.3	Confident	81.6	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-53.4	-38.6	166.3	163.3	0	0	0	0	111.9	P579 D587 I588 I589 E802 N833 Y897 I899	P579-V585 HydrophobicContact CB-CG1 4.32Å; P579-V585 HydrophobicContact CG-CG1 4.21Å; V585-D587 VanDerWaalsContact C-N 3.31Å; V585-D587 PolarHBondContact O-N 3.17Å; V585-I588 PolarHBondContact O-N 3.25Å; V585-I589 HydrophobicContact CG1-CD1 3.91Å; V585-I589 WeakPolarHBondContact O-CD1 3.28Å; V585-I589 WeakPolarHBondContact O-CG1 3.49Å; V585-I589 PolarHBondContact O-N 3.28Å; V585-E802 PolarHBondContact N-OE1 3.34Å; V585-N833 HydrophobicContact CG2-CB 3.84Å; V585-N833 VanDerWaalsContact CG2-ND2 3.27Å; V585-N833 WeakPolarHBondContact CG2-ND2 3.39Å; V585-Y897 HydrophobicContact CG2-CE1 4.11Å; V585-I899 HydrophobicContact CG1-CD1 3.32Å; V585-I899 HydrophobicContact CG1-CG1 3.7Å; V585-I899 HydrophobicContact CG1-CG2 4.47Å; V585-I899 HydrophobicContact CG2-CG1 4.26Å
586	K	85.2	Confident	81.2	Confident	28 Å²	28	29.6 Å²	29.6	12%	0.122	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-44.7	176.7	-171.7	-166.5	175	-170.2	0	110.6	P579 S583 L584 I588 I589 L590 T618 I620	P579-K586 HydrophobicContact CB-CB 4.11Å; S583-K586 VanDerWaalsContact O-CB 3.26Å; S583-K586 WeakPolarHBondContact O-CB 3.45Å; S583-K586 PolarHBondContact O-N 2.95Å; L584-K586 PolarHBondContact O-N 3.2Å; K586-I588 VanDerWaalsContact C-N 3.34Å; K586-I588 PolarHBondContact O-N 3.02Å; K586-I589 PolarHBondContact O-N 3.01Å; K586-L590 WeakPolarHBondContact O-CG 3.47Å; K586-L590 PolarHBondContact O-N 3.44Å; K586-T618 WeakPolarHBondContact CE-O 3.49Å; K586-T618 PolarHBondContact NZ-O 2.97Å; K586-I620 HydrophobicContact CG-CD1 4.22Å
587	D	83.5	Confident	80.7	Confident	65 Å²	65	29.7 Å²	29.7	35%	0.348	16%	0.155	S	C	.	.	H	α-helix	trans	-63.8	-39	-177.1	-56.9	-28	0	0	0	111.1	L584 V585 I589 L590 D591	L584-D587 WeakPolarHBondContact O-CB 3.39Å; L584-D587 PolarHBondContact O-N 3.21Å; L584-D587 VanDerWaalsContact O-N 3.11Å; V585-D587 VanDerWaalsContact C-N 3.31Å; V585-D587 PolarHBondContact O-N 3.17Å; D587-I589 PolarHBondContact O-N 3.42Å; D587-L590 WeakPolarHBondContact O-CB 3.3Å; D587-L590 PolarHBondContact O-N 2.81Å; D587-D591 PolarHBondContact O-N 3.09Å
588	I	84.9	Confident	80	Confident	6 Å²	6	37 Å²	37	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-42.1	173.5	-61.9	162.5	0	0	0	112.3	L584 V585 K586 L590 D591 W592 V874 H875 L893 Y897	L584-I588 PolarHBondContact O-N 2.97Å; V585-I588 PolarHBondContact O-N 3.25Å; K586-I588 VanDerWaalsContact C-N 3.34Å; K586-I588 PolarHBondContact O-N 3.02Å; I588-L590 VanDerWaalsContact C-N 3.3Å; I588-D591 PolarHBondContact O-N 3.24Å; I588-W592 PolarHBondContact O-N 2.89Å; I588-W592 VanDerWaalsContact O-N 3.11Å; I588-V874 HydrophobicContact CG2-CG2 4.28Å; I588-H875 HydrophobicContact CG2-CB 4.11Å; I588-L893 HydrophobicContact CG1-CD1 4.33Å; I588-L893 HydrophobicContact CG2-CD1 4.11Å; I588-Y897 HydrophobicContact CD1-CD1 4.05Å; I588-Y897 HydrophobicContact CD1-CD2 3.67Å; I588-Y897 HydrophobicContact CD1-CE1 3.72Å; I588-Y897 HydrophobicContact CD1-CE2 3.28Å; I588-Y897 HydrophobicContact CD1-CG 4.03Å
589	I	86.9	Confident	79.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-71.8	-29.7	179.1	-52.9	154.6	0	0	0	110.4	P579 V585 K586 D587 W592 Y593 I620 Y622 V874 I899	P579-I589 HydrophobicContact CG-CD1 3.87Å; V585-I589 HydrophobicContact CG1-CD1 3.91Å; V585-I589 WeakPolarHBondContact O-CD1 3.28Å; V585-I589 WeakPolarHBondContact O-CG1 3.49Å; V585-I589 PolarHBondContact O-N 3.28Å; K586-I589 PolarHBondContact O-N 3.01Å; D587-I589 PolarHBondContact O-N 3.42Å; I589-W592 HydrophobicContact CG2-CE3 4.4Å; I589-Y593 WeakPolarHBondContact O-CB 3.03Å; I589-Y593 PolarHBondContact O-N 3Å; I589-I620 HydrophobicContact CB-CD1 3.77Å; I589-I620 HydrophobicContact CG2-CD1 3.75Å; I589-I620 HydrophobicContact CG2-CG2 4.07Å; I589-Y622 HydrophobicContact CD1-CE2 3.95Å; I589-V874 HydrophobicContact CD1-CG1 4.46Å; I589-V874 HydrophobicContact CG1-CB 4.05Å; I589-V874 HydrophobicContact CG1-CG1 4.05Å; I589-V874 HydrophobicContact CG1-CG2 4.47Å; I589-I899 HydrophobicContact CD1-CD1 4.13Å
590	L	82.5	Confident	78.3	Confident	23 Å²	23	43.6 Å²	43.6	12%	0.12	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-43.1	169.8	-70.2	179.3	0	0	0	111.9	K586 D587 I588 W592 Y593 H594 S617 I620	K586-L590 WeakPolarHBondContact O-CG 3.47Å; K586-L590 PolarHBondContact O-N 3.44Å; D587-L590 WeakPolarHBondContact O-CB 3.3Å; D587-L590 PolarHBondContact O-N 2.81Å; I588-L590 VanDerWaalsContact C-N 3.3Å; L590-W592 VanDerWaalsContact C-N 3.31Å; L590-W592 PolarHBondContact O-N 3.29Å; L590-Y593 CarbonylContact O-C 3.54Å; L590-Y593 PolarHBondContact O-N 2.65Å; L590-Y593 VanDerWaalsContact O-N 3.16Å; L590-H594 WeakPolarHBondContact O-CB 2.99Å; L590-H594 PolarHBondContact O-CD2 3.25Å; L590-H594 VanDerWaalsContact O-CG 3.27Å; L590-H594 PolarHBondContact O-N 3.3Å; L590-S617 WeakPolarHBondContact CD2-OG 3.31Å; L590-I620 HydrophobicContact CD2-CD1 3.71Å; L590-I620 HydrophobicContact CD2-CG1 4.32Å; L590-I620 HydrophobicContact CG-CD1 3.95Å
591	D	82.3	Confident	77.5	Confident	106 Å²	106	45.1 Å²	45.1	57%	0.567	21%	0.21	S	C	*	.	H	α-helix	trans	-60.3	-41.6	175.9	-74.5	-30.9	0	0	0	111.7	D587 I588 H594 H595	D587-D591 PolarHBondContact O-N 3.09Å; I588-D591 PolarHBondContact O-N 3.24Å; D591-H594 PolarHBondContact O-N 3.04Å; D591-H595 WeakPolarHBondContact O-CB 3.18Å; D591-H595 PolarHBondContact O-N 3.5Å
592	W	85.1	Confident	76.4	Confident	28 Å²	28	48.4 Å²	48.4	11%	0.106	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-47.9	171.4	169.8	79.5	0	0	0	112.3	I588 I589 L590 H594 H595 E596 P636 I638 F684 V734 H735	I588-W592 PolarHBondContact O-N 2.89Å; I588-W592 VanDerWaalsContact O-N 3.11Å; I589-W592 HydrophobicContact CG2-CE3 4.4Å; L590-W592 VanDerWaalsContact C-N 3.31Å; L590-W592 PolarHBondContact O-N 3.29Å; W592-H594 VanDerWaalsContact C-N 3.33Å; W592-H594 PolarHBondContact O-N 2.88Å; W592-H595 WeakPolarHBondContact O-CB 3.2Å; W592-H595 PolarHBondContact O-N 3.38Å; W592-H595 VanDerWaalsContact O-N 3.16Å; W592-E596 HydrophobicContact CZ2-CB 4.37Å; W592-E596 HydrophobicContact CZ2-CG 3.75Å; W592-E596 PolarHBondContact O-N 3.4Å; W592-P636 HydrophobicContact CH2-CG 3.96Å; W592-P636 HydrophobicContact CZ3-CB 4.41Å; W592-P636 HydrophobicContact CZ3-CG 3.95Å; W592-I638 HydrophobicContact CZ3-CD1 4.28Å; W592-F684 HydrophobicContact CH2-CB 4.13Å; W592-F684 AromaticContact CH2-CD1 3.81Å; W592-F684 HydrophobicContact CH2-CD1 3.81Å; W592-F684 HydrophobicContact CH2-CG 4.38Å; W592-F684 HydrophobicContact CZ3-CB 4.46Å; W592-F684 HydrophobicContact CZ3-CD1 4.43Å; W592-V734 HydrophobicContact CG-CG1 4.43Å; W592-H735 AromaticContact CD2-CE1 3.79Å; W592-H735 AromaticContact CD2-NE2 3.38Å; W592-H735 AromaticContact CE2-NE2 3.16Å; W592-H735 AromaticContact CE3-CE1 3.75Å; W592-H735 AromaticContact CE3-NE2 3.49Å; W592-H735 AromaticContact CH2-CD2 3.97Å; W592-H735 AromaticContact CH2-NE2 3.23Å; W592-H735 WeakPolarHBondContact CH2-NE2 3.32Å; W592-H735 AromaticContact CZ2-CD2 3.85Å; W592-H735 AromaticContact CZ2-NE2 3.12Å; W592-H735 WeakPolarHBondContact CZ2-NE2 3.43Å; W592-H735 AromaticContact CZ3-CE1 3.94Å; W592-H735 AromaticContact CZ3-NE2 3.41Å; W592-H735 WeakPolarHBondContact CZ3-NE2 3.39Å; W592-H735 AromaticContact NE1-NE2 3.86Å
593	Y	82.6	Confident	75.4	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-38.4	177.8	165.7	-113.9	0	0	0	112.3	I589 L590 H595 E596 S597 I638 F684 L686	I589-Y593 WeakPolarHBondContact O-CB 3.03Å; I589-Y593 PolarHBondContact O-N 3Å; L590-Y593 CarbonylContact O-C 3.54Å; L590-Y593 PolarHBondContact O-N 2.65Å; L590-Y593 VanDerWaalsContact O-N 3.16Å; Y593-H595 VanDerWaalsContact C-N 3.32Å; Y593-H595 PolarHBondContact O-N 3.2Å; Y593-E596 PolarHBondContact O-N 2.87Å; Y593-S597 VanDerWaalsContact O-CB 3.24Å; Y593-S597 WeakPolarHBondContact O-CB 3.35Å; Y593-S597 PolarHBondContact O-N 3.41Å; Y593-S597 PolarHBondContact O-OG 2.82Å; Y593-I638 HydrophobicContact CD1-CD1 4.37Å; Y593-I638 HydrophobicContact CD1-CG2 4.46Å; Y593-I638 HydrophobicContact CD2-CD1 3.34Å; Y593-I638 HydrophobicContact CE1-CG2 4.31Å; Y593-I638 HydrophobicContact CE2-CD1 3.99Å; Y593-I638 HydrophobicContact CG-CD1 3.57Å; Y593-F684 HydrophobicContact CD2-CE1 4.45Å; Y593-F684 HydrophobicContact CD2-CE2 4.24Å; Y593-F684 HydrophobicContact CD2-CZ 4.2Å; Y593-F684 HydrophobicContact CE2-CD2 4.35Å; Y593-F684 AromaticContact CE2-CE2 3.78Å; Y593-F684 HydrophobicContact CE2-CE2 3.78Å; Y593-F684 AromaticContact CE2-CZ 3.92Å; Y593-F684 HydrophobicContact CE2-CZ 3.92Å; Y593-L686 HydrophobicContact CE2-CD2 4.1Å
594	H	78.4	Confident	73.7	Confident	68 Å²	68	55.7 Å²	55.7	32%	0.315	28%	0.283	S	S	.	.	H	α-helix	trans	-67.5	-32.4	175.1	-70.2	-45.5	0	0	0	111.8	L590 D591 W592 S597 R598	L590-H594 WeakPolarHBondContact O-CB 2.99Å; L590-H594 PolarHBondContact O-CD2 3.25Å; L590-H594 VanDerWaalsContact O-CG 3.27Å; L590-H594 PolarHBondContact O-N 3.3Å; D591-H594 PolarHBondContact O-N 3.04Å; W592-H594 VanDerWaalsContact C-N 3.33Å; W592-H594 PolarHBondContact O-N 2.88Å; H594-S597 WeakPolarHBondContact CA-OG 3.43Å; H594-S597 PolarHBondContact O-OG 3.28Å; H594-R598 WeakPolarHBondContact O-CB 3.28Å; H594-R598 VanDerWaalsContact O-CD 3.28Å; H594-R598 WeakPolarHBondContact O-CD 3.38Å; H594-R598 WeakPolarHBondContact O-CG 3.25Å; H594-R598 PolarHBondContact O-N 2.94Å
595	H	77.6	Confident	72	Confident	94 Å²	94	58.5 Å²	58.5	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-66.4	-53.6	170.2	-177.3	-97.9	0	0	0	112.4	D591 W592 Y593 S597 R598 R599	D591-H595 WeakPolarHBondContact O-CB 3.18Å; D591-H595 PolarHBondContact O-N 3.5Å; W592-H595 WeakPolarHBondContact O-CB 3.2Å; W592-H595 PolarHBondContact O-N 3.38Å; W592-H595 VanDerWaalsContact O-N 3.16Å; Y593-H595 VanDerWaalsContact C-N 3.32Å; Y593-H595 PolarHBondContact O-N 3.2Å; H595-S597 PolarHBondContact O-N 3.3Å; H595-R598 WeakPolarHBondContact O-CB 3.42Å; H595-R598 PolarHBondContact O-N 3.25Å; H595-R599 PolarHBondContact O-N 2.87Å
596	E	76.4	Confident	69.9	Low	30 Å²	30	66.9 Å²	66.9	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-68.7	-35.8	-177.9	-68.8	-52.2	123.6	0	0	112.9	W592 Y593 R598 R599 L600 F684	W592-E596 HydrophobicContact CZ2-CB 4.37Å; W592-E596 HydrophobicContact CZ2-CG 3.75Å; W592-E596 PolarHBondContact O-N 3.4Å; Y593-E596 PolarHBondContact O-N 2.87Å; E596-R598 VanDerWaalsContact C-N 3.34Å; E596-R598 PolarHBondContact O-N 3.49Å; E596-R599 WeakPolarHBondContact O-CB 3.43Å; E596-R599 PolarHBondContact O-N 3.46Å; E596-R599 VanDerWaalsContact OE1-CD 3.26Å; E596-R599 WeakPolarHBondContact OE1-CD 3.36Å; E596-R599 IonicContact OE1-CZ 2.64Å; E596-R599 IonicContact OE1-NE 3.76Å; E596-R599 IonicContact OE1-NH1 3.94Å; E596-R599 PolarHBondContact OE1-NH1 3.1Å; E596-R599 IonicContact OE2-CZ 2.59Å; E596-R599 IonicContact OE2-NE 3.57Å; E596-R599 IonicContact OE2-NH1 3.8Å; E596-R599 PolarHBondContact OE2-NH1 3.38Å; E596-L600 WeakPolarHBondContact O-CG 3.33Å; E596-L600 PolarHBondContact O-N 3.27Å; E596-F684 HydrophobicContact CB-CE1 4.47Å
597	S	71	Confident	67.9	Low	1 Å²	1	71.2 Å²	71.2	1%	0.007	36%	0.359	C	S	.	.	H	α-helix	trans	-63.5	-37.5	171.9	59.1	0	0	0	0	112.5	Y593 H594 H595 L600 K601	Y593-S597 VanDerWaalsContact O-CB 3.24Å; Y593-S597 WeakPolarHBondContact O-CB 3.35Å; Y593-S597 PolarHBondContact O-N 3.41Å; Y593-S597 PolarHBondContact O-OG 2.82Å; H594-S597 WeakPolarHBondContact CA-OG 3.43Å; H594-S597 PolarHBondContact O-OG 3.28Å; H595-S597 PolarHBondContact O-N 3.3Å; S597-L600 PolarHBondContact O-N 2.83Å; S597-K601 WeakPolarHBondContact O-CG 3.39Å; S597-K601 PolarHBondContact O-N 2.79Å
598	R	69.8	Low	66	Low	169 Å²	169	68.3 Å²	68.3	64%	0.638	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-40	171	-74.2	167.5	-173.2	173.9	4.5	112.2	H594 H595 E596 K601 C602	H594-R598 WeakPolarHBondContact O-CB 3.28Å; H594-R598 VanDerWaalsContact O-CD 3.28Å; H594-R598 WeakPolarHBondContact O-CD 3.38Å; H594-R598 WeakPolarHBondContact O-CG 3.25Å; H594-R598 PolarHBondContact O-N 2.94Å; H595-R598 WeakPolarHBondContact O-CB 3.42Å; H595-R598 PolarHBondContact O-N 3.25Å; E596-R598 VanDerWaalsContact C-N 3.34Å; E596-R598 PolarHBondContact O-N 3.49Å; R598-K601 PolarHBondContact O-N 2.79Å; R598-C602 PolarHBondContact O-N 3.11Å; R598-C602 PolarHBondContact O-SG 3.2Å; R598-C602 VanDerWaalsContact O-SG 3.37Å
599	R	68.6	Low	63.9	Low	146 Å²	146	71.5 Å²	71.5	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-63	-42.8	174.4	-68.3	175.7	70	-164.8	3.1	111.8	H595 E596 C602	H595-R599 PolarHBondContact O-N 2.87Å; E596-R599 WeakPolarHBondContact O-CB 3.43Å; E596-R599 PolarHBondContact O-N 3.46Å; E596-R599 VanDerWaalsContact OE1-CD 3.26Å; E596-R599 WeakPolarHBondContact OE1-CD 3.36Å; E596-R599 IonicContact OE1-CZ 2.64Å; E596-R599 IonicContact OE1-NE 3.76Å; E596-R599 IonicContact OE1-NH1 3.94Å; E596-R599 PolarHBondContact OE1-NH1 3.1Å; E596-R599 IonicContact OE2-CZ 2.59Å; E596-R599 IonicContact OE2-NE 3.57Å; E596-R599 IonicContact OE2-NH1 3.8Å; E596-R599 PolarHBondContact OE2-NH1 3.38Å; R599-C602 WeakPolarHBondContact O-CB 3.37Å; R599-C602 PolarHBondContact O-N 2.78Å
600	L	63.9	Low	61.8	Low	24 Å²	24	75.7 Å²	75.7	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-61.3	-43.3	175.1	-72.5	163.2	0	0	0	111.7	E596 S597 C602 C603 L608 F681 F684	E596-L600 WeakPolarHBondContact O-CG 3.33Å; E596-L600 PolarHBondContact O-N 3.27Å; S597-L600 PolarHBondContact O-N 2.83Å; L600-C602 PolarHBondContact O-N 3.39Å; L600-C603 VanDerWaalsContact O-CB 3.28Å; L600-C603 WeakPolarHBondContact O-CB 3.28Å; L600-C603 PolarHBondContact O-N 3.07Å; L600-L608 HydrophobicContact CB-CD1 3.91Å; L600-L608 HydrophobicContact CB-CD2 3.85Å; L600-L608 WeakPolarHBondContact O-CD1 3.39Å; L600-F681 HydrophobicContact CD1-CD1 3.76Å; L600-F681 HydrophobicContact CD1-CE1 4.34Å; L600-F684 HydrophobicContact CD1-CE1 3.79Å; L600-F684 HydrophobicContact CD1-CZ 3.62Å
601	K	56.7	Low	60.1	Low	43 Å²	43	77.8 Å²	77.8	19%	0.187	39%	0.39	C	S	.	.	H	α-helix	trans	-55.8	-34	176.6	-71.8	173.4	-169.8	174.4	0	113	S597 R598 C603 S604 L608 T612 D613	S597-K601 WeakPolarHBondContact O-CG 3.39Å; S597-K601 PolarHBondContact O-N 2.79Å; R598-K601 PolarHBondContact O-N 2.79Å; K601-C603 PolarHBondContact O-N 3.22Å; K601-S604 PolarHBondContact O-N 3.06Å; K601-L608 HydrophobicContact CG-CB 4.48Å; K601-T612 WeakPolarHBondContact CE-OG1 3.31Å; K601-T612 PolarHBondContact NZ-O 2.78Å; K601-D613 WeakPolarHBondContact CE-OD2 3.43Å; K601-D613 IonicContact NZ-OD1 2.65Å; K601-D613 PolarHBondContact NZ-OD1 3.42Å; K601-D613 IonicContact NZ-OD2 3.91Å; K601-D613 PolarHBondContact NZ-OD2 3.21Å
602	C	49.5	Very low	58.4	Low	112 Å²	112	73.3 Å²	73.3	76%	0.757	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.3	176.4	-63.1	0	0	0	0	113.4	R598 R599 L600 S604	R598-C602 PolarHBondContact O-N 3.11Å; R598-C602 PolarHBondContact O-SG 3.2Å; R598-C602 VanDerWaalsContact O-SG 3.37Å; R599-C602 WeakPolarHBondContact O-CB 3.37Å; R599-C602 PolarHBondContact O-N 2.78Å; L600-C602 PolarHBondContact O-N 3.39Å; C602-S604 PolarHBondContact O-N 2.96Å; C602-S604 VanDerWaalsContact O-N 3.09Å
603	C	51.3	Low	56.5	Low	79 Å²	79	77 Å²	77	53%	0.534	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	23.5	178.7	-59.6	0	0	0	0	114.1	L600 K601 L605	L600-C603 VanDerWaalsContact O-CB 3.28Å; L600-C603 WeakPolarHBondContact O-CB 3.28Å; L600-C603 PolarHBondContact O-N 3.07Å; K601-C603 PolarHBondContact O-N 3.22Å; C603-L605 PolarHBondContact O-N 3.44Å
604	S	43.5	Very low	54.7	Low	109 Å²	109	84.3 Å²	84.3	76%	0.762	42%	0.423	S	S	*	.			trans	61.8	-2.8	170.1	73.3	0	0	0	0	118.6	K601 C602 K606	K601-S604 PolarHBondContact O-N 3.06Å; C602-S604 PolarHBondContact O-N 2.96Å; C602-S604 VanDerWaalsContact O-N 3.09Å; S604-K606 PolarHBondContact O-N 3.26Å
605	L	46.2	Very low	53.4	Low	91 Å²	91	84.9 Å²	84.9	48%	0.476	43%	0.425	S	S	.	.			trans	-75.2	90.9	178.7	-80.2	161.9	0	0	0	111.9	Y566 C603 N607 L608	Y566-L605 HydrophobicContact CE2-CD1 3.7Å; C603-L605 PolarHBondContact O-N 3.44Å; L605-N607 PolarHBondContact O-N 2.85Å; L605-L608 HydrophobicContact CB-CD1 4.11Å; L605-L608 WeakPolarHBondContact O-CB 3.11Å; L605-L608 PolarHBondContact O-N 2.94Å
606	K	42.2	Very low	52.5	Low	179 Å²	179	89 Å²	89	78%	0.778	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-29.5	-177.6	-72.2	-175.6	173.8	-178.2	0	116.1	S604 L608	S604-K606 PolarHBondContact O-N 3.26Å; K606-L608 VanDerWaalsContact C-N 3.25Å; K606-L608 PolarHBondContact O-N 3.09Å
607	N	43.7	Very low	52	Low	119 Å²	119	88.2 Å²	88.2	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-70	-18.2	-178.4	-62.6	-5.2	0	0	0	113.6	L605	L605-N607 PolarHBondContact O-N 2.85Å
608	L	43.2	Very low	51.7	Low	3 Å²	3	90.1 Å²	90.1	2%	0.016	45%	0.451	C	S	.	.	H	α-helix	trans	-61.6	-48.2	177.7	-94.7	159.6	0	0	0	113.2	Y566 L600 K601 L605 K606 I610 F611 T612 F681	Y566-L608 HydrophobicContact CE1-CD2 3.94Å; Y566-L608 HydrophobicContact CE1-CG 3.97Å; Y566-L608 VanDerWaalsContact OH-CD1 3.26Å; Y566-L608 WeakPolarHBondContact OH-CD1 3.33Å; Y566-L608 WeakPolarHBondContact OH-CD2 3.06Å; Y566-L608 VanDerWaalsContact OH-CG 3.29Å; Y566-L608 WeakPolarHBondContact OH-CG 3.34Å; L600-L608 HydrophobicContact CB-CD1 3.91Å; L600-L608 HydrophobicContact CB-CD2 3.85Å; L600-L608 WeakPolarHBondContact O-CD1 3.39Å; K601-L608 HydrophobicContact CG-CB 4.48Å; L605-L608 HydrophobicContact CB-CD1 4.11Å; L605-L608 WeakPolarHBondContact O-CB 3.11Å; L605-L608 PolarHBondContact O-N 2.94Å; K606-L608 VanDerWaalsContact C-N 3.25Å; K606-L608 PolarHBondContact O-N 3.09Å; L608-I610 PolarHBondContact O-N 3.49Å; L608-I610 VanDerWaalsContact O-N 3.16Å; L608-F611 PolarHBondContact O-N 3.48Å; L608-T612 PolarHBondContact O-N 2.92Å; L608-T612 PolarHBondContact O-OG1 3.25Å; L608-F681 HydrophobicContact CD2-CE1 3.89Å
609	N	40.4	Very low	52	Low	73 Å²	73	82.8 Å²	82.8	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-56.6	-38.4	-169.1	-62.4	21.4	0	0	0	111.3	F611 T612 D613	N609-F611 VanDerWaalsContact C-N 3.27Å; N609-F611 PolarHBondContact O-N 2.84Å; N609-T612 CarbonylContact O-C 3.54Å; N609-T612 PolarHBondContact O-N 3.27Å; N609-D613 PolarHBondContact O-N 3.38Å
610	I	43.8	Very low	52.8	Low	88 Å²	88	75.9 Å²	75.9	45%	0.451	40%	0.398	S	S	.	.	H	α-helix	trans	-54.3	-40.9	179	-52.5	174.8	0	0	0	112	L608	L608-I610 PolarHBondContact O-N 3.49Å; L608-I610 VanDerWaalsContact O-N 3.16Å
611	F	45.3	Very low	54	Low	67 Å²	67	74.8 Å²	74.8	29%	0.294	39%	0.392	S	S	.	.	H	α-helix	trans	-86.1	-13.9	-179.8	-67.5	-81.2	0	0	0	113.8	L608 N609 L640 L686	L608-F611 PolarHBondContact O-N 3.48Å; N609-F611 VanDerWaalsContact C-N 3.27Å; N609-F611 PolarHBondContact O-N 2.84Å; F611-L640 HydrophobicContact CD1-CD1 3.9Å; F611-L686 HydrophobicContact CB-CD1 4.29Å
612	T	47.5	Very low	55.6	Low	13 Å²	13	72.7 Å²	72.7	8%	0.08	38%	0.383	C	S	.	.	H	α-helix	trans	-128.8	0.7	-162.4	54.4	0	0	0	0	114.7	K601 L608 N609	K601-T612 WeakPolarHBondContact CE-OG1 3.31Å; K601-T612 PolarHBondContact NZ-O 2.78Å; L608-T612 PolarHBondContact O-N 2.92Å; L608-T612 PolarHBondContact O-OG1 3.25Å; N609-T612 CarbonylContact O-C 3.54Å; N609-T612 PolarHBondContact O-N 3.27Å
613	D	45.8	Very low	57.4	Low	106 Å²	106	67.4 Å²	67.4	57%	0.567	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-38.2	167.2	-71.8	-62.9	0	0	0	112.4	K601 N609	K601-D613 WeakPolarHBondContact CE-OD2 3.43Å; K601-D613 IonicContact NZ-OD1 2.65Å; K601-D613 PolarHBondContact NZ-OD1 3.42Å; K601-D613 IonicContact NZ-OD2 3.91Å; K601-D613 PolarHBondContact NZ-OD2 3.21Å; N609-D613 PolarHBondContact O-N 3.38Å
614	E	44.4	Very low	59	Low	157 Å²	157	64 Å²	64	73%	0.734	32%	0.323	S	S	*	.	S	Bend	trans	-93.3	-22.2	-167.5	-60.2	-171.9	160.8	0	0	115.3
615	Q	49.7	Very low	60.8	Low	79 Å²	79	59.1 Å²	59.1	37%	0.369	29%	0.288	S	S	.	.			trans	-110.5	117.8	-169.9	-61.4	-162.7	23.3	0	0	113.1	S617 L640	Q615-S617 PolarHBondContact O-N 3.19Å; Q615-L640 HydrophobicContact CB-CD2 4.29Å
616	K	58.9	Low	62	Low	181 Å²	181	57.6 Å²	57.6	79%	0.787	29%	0.285	S	S	*	.			trans	-68	112.1	172.2	-68.5	-171.4	176.9	-173.9	0	110	T618 V641	K616-T618 PolarHBondContact O-N 2.95Å; K616-T618 VanDerWaalsContact O-N 3.15Å; K616-V641 VanDerWaalsContact O-CG2 3.28Å; K616-V641 WeakPolarHBondContact O-CG2 3.24Å
617	S	65.7	Low	62.9	Low	13 Å²	13	51.5 Å²	51.5	9%	0.091	26%	0.261	C	S	.	.			trans	-57	112.4	170.6	41.6	0	0	0	0	110.8	L590 Q615 C639	L590-S617 WeakPolarHBondContact CD2-OG 3.31Å; Q615-S617 PolarHBondContact O-N 3.19Å; S617-C639 CarbonylContact C-O 3.58Å; S617-C639 VanDerWaalsContact CA-O 3.25Å; S617-C639 WeakPolarHBondContact CA-O 3.32Å
618	T	65.2	Low	63.4	Low	41 Å²	41	48.1 Å²	48.1	25%	0.252	25%	0.246	S	C	.	.			trans	-78	-39.4	-174.9	56.1	0	0	0	0	111.7	K586 K616 C639 L640 V641	K586-T618 WeakPolarHBondContact CE-O 3.49Å; K586-T618 PolarHBondContact NZ-O 2.97Å; K616-T618 PolarHBondContact O-N 2.95Å; K616-T618 VanDerWaalsContact O-N 3.15Å; T618-C639 PolarHBondContact N-O 3.45Å; T618-L640 PolarHBondContact OG1-O 3.31Å; T618-V641 HydrophobicContact CG2-CB 4.45Å; T618-V641 HydrophobicContact CG2-CG1 4.48Å; T618-V641 HydrophobicContact CG2-CG2 4.48Å
619	R	76.5	Confident	63.6	Low	16 Å²	16	55 Å²	55	6%	0.06	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.2	-172	-55.7	178	171.3	-85.4	14.2	111.8	E578 C639 S645 E648	E578-R619 IonicContact OE1-CZ 2.84Å; E578-R619 IonicContact OE1-NH1 3.13Å; E578-R619 PolarHBondContact OE1-NH1 3.45Å; R619-C639 HydrophobicContact CB-CB 3.92Å; R619-C639 PolarHBondContact O-N 3.13Å; R619-S645 VanDerWaalsContact NE-CB 3.28Å; R619-E648 IonicContact CZ-OE2 2.82Å; R619-E648 IonicContact NE-OE2 3.25Å; R619-E648 IonicContact NH2-OE1 3.13Å; R619-E648 PolarHBondContact NH2-OE1 2.97Å; R619-E648 VanDerWaalsContact NH2-OE1 3.13Å; R619-E648 IonicContact NH2-OE2 2.67Å; R619-E648 PolarHBondContact NH2-OE2 3.49Å
620	I	86.2	Confident	63.9	Low	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.2	172.2	-49.2	174.3	0	0	0	106.7	P579 K586 I589 L590 C637 I638	P579-I620 VanDerWaalsContact CD-O 3.27Å; P579-I620 WeakPolarHBondContact CD-O 3.41Å; K586-I620 HydrophobicContact CG-CD1 4.22Å; I589-I620 HydrophobicContact CB-CD1 3.77Å; I589-I620 HydrophobicContact CG2-CD1 3.75Å; I589-I620 HydrophobicContact CG2-CG2 4.07Å; L590-I620 HydrophobicContact CD2-CD1 3.71Å; L590-I620 HydrophobicContact CD2-CG1 4.32Å; L590-I620 HydrophobicContact CG-CD1 3.95Å; I620-C637 CarbonylContact C-O 3.56Å; I620-C637 WeakPolarHBondContact CA-O 3.25Å; I620-I638 HydrophobicContact CG2-CG1 4.24Å
621	F	88.5	Confident	64.7	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	160.9	166.1	61.8	-88.6	0	0	0	111.3	L575 L577 E578 L623 C637 P646 I675 I687 L693	L575-F621 HydrophobicContact CD1-CB 3.83Å; L575-F621 HydrophobicContact CD1-CD2 3.89Å; L575-F621 HydrophobicContact CD1-CG 4.22Å; L577-F621 CarbonylContact O-C 3.55Å; L577-F621 WeakPolarHBondContact O-CA 3.32Å; L577-F621 WeakPolarHBondContact O-CB 3.13Å; E578-F621 HydrophobicContact CB-CB 3.95Å; E578-F621 HydrophobicContact CG-CB 4.19Å; F621-L623 HydrophobicContact CD2-CG 4.19Å; F621-L623 HydrophobicContact CE2-CD1 4.12Å; F621-L623 HydrophobicContact CE2-CD2 4.33Å; F621-L623 HydrophobicContact CE2-CG 3.88Å; F621-C637 HydrophobicContact CD1-CB 4.13Å; F621-C637 HydrophobicContact CD2-CB 3.85Å; F621-C637 HydrophobicContact CE1-CB 3.9Å; F621-C637 HydrophobicContact CE2-CB 3.59Å; F621-C637 HydrophobicContact CG-CB 4.11Å; F621-C637 HydrophobicContact CZ-CB 3.63Å; F621-C637 PolarHBondContact N-O 2.9Å; F621-C637 WeakPolarHBondContact O-CB 3.41Å; F621-C637 PolarHBondContact O-N 2.04Å; F621-P646 HydrophobicContact CB-CG 4.47Å; F621-P646 HydrophobicContact CD1-CG 3.57Å; F621-P646 HydrophobicContact CD2-CG 3.91Å; F621-P646 HydrophobicContact CE1-CG 3.56Å; F621-P646 HydrophobicContact CE2-CG 3.9Å; F621-P646 HydrophobicContact CG-CG 3.74Å; F621-P646 HydrophobicContact CZ-CG 3.73Å; F621-I675 HydrophobicContact CE2-CD1 4.15Å; F621-I675 HydrophobicContact CZ-CD1 4.02Å; F621-I687 HydrophobicContact CE1-CD1 3.58Å; F621-I687 HydrophobicContact CZ-CD1 3.4Å; F621-I687 VanDerWaalsContact CZ-CD1 3.4Å; F621-L693 HydrophobicContact CZ-CD2 4.01Å
622	Y	90.1	Very high	65.9	Low	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.6	178.7	-75.9	-79.6	0	0	0	111.1	V576 L577 I589 L634 I635 P636 H735 I872 V874	V576-Y622 PolarHBondContact N-O 3Å; L577-Y622 HydrophobicContact CB-CD2 4.27Å; L577-Y622 HydrophobicContact CD2-CD2 4.25Å; L577-Y622 PolarHBondContact O-N 2.93Å; I589-Y622 HydrophobicContact CD1-CE2 3.95Å; Y622-L634 HydrophobicContact CD1-CD1 4.48Å; Y622-L634 HydrophobicContact CD1-CD2 3.9Å; Y622-L634 HydrophobicContact CD1-CG 3.95Å; Y622-L634 HydrophobicContact CE1-CD2 4.38Å; Y622-L634 HydrophobicContact CG-CD2 4.5Å; Y622-I635 WeakPolarHBondContact CA-O 3.45Å; Y622-P636 HydrophobicContact CD1-CB 4.14Å; Y622-P636 HydrophobicContact CE1-CB 3.58Å; Y622-P636 HydrophobicContact CE1-CG 4.19Å; Y622-H735 HydrophobicContact CE1-CB 4.22Å; Y622-H735 AromaticContact CE1-CG 3.96Å; Y622-H735 AromaticContact CE1-ND1 3.45Å; Y622-H735 WeakPolarHBondContact CE1-ND1 3.43Å; Y622-H735 AromaticContact CZ-ND1 3.64Å; Y622-H735 PolarHBondContact OH-CE1 3.42Å; Y622-H735 VanDerWaalsContact OH-CE1 3.29Å; Y622-H735 PolarHBondContact OH-ND1 3.39Å; Y622-I872 HydrophobicContact CD2-CD1 3.93Å; Y622-I872 HydrophobicContact CE1-CG2 4.36Å; Y622-I872 HydrophobicContact CE2-CD1 4.42Å; Y622-I872 HydrophobicContact CG-CD1 3.98Å; Y622-V874 HydrophobicContact CE2-CG1 4.44Å; Y622-V874 WeakPolarHBondContact OH-CG1 3.43Å
623	L	87.2	Confident	67.4	Low	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137	168.9	-76.9	178	0	0	0	111.3	V571 Y574 F621 I625 L634 I635 I673 I675	V571-L623 HydrophobicContact CG1-CD1 4.47Å; Y574-L623 WeakPolarHBondContact O-CA 3.31Å; F621-L623 HydrophobicContact CD2-CG 4.19Å; F621-L623 HydrophobicContact CE2-CD1 4.12Å; F621-L623 HydrophobicContact CE2-CD2 4.33Å; F621-L623 HydrophobicContact CE2-CG 3.88Å; L623-I625 HydrophobicContact CB-CD1 3.92Å; L623-I625 HydrophobicContact CB-CG1 4.06Å; L623-L634 CarbonylContact O-C 3.24Å; L623-L634 WeakPolarHBondContact O-CA 3.42Å; L623-I635 PolarHBondContact N-O 3.07Å; L623-I635 PolarHBondContact O-N 2.87Å; L623-I673 HydrophobicContact CD2-CB 4.06Å; L623-I673 HydrophobicContact CD2-CD1 4.2Å; L623-I675 HydrophobicContact CD1-CD1 3.38Å; L623-I675 HydrophobicContact CD1-CG1 4.01Å
624	W	84.6	Confident	69.3	Low	9 Å²	9	51.7 Å²	51.7	3%	0.034	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.8	166.3	-174.9	-104.4	0	0	0	109.7	G573 Y574 V576 T632 L634 I716 I737	G573-W624 CarbonylContact C-O 3.58Å; G573-W624 WeakPolarHBondContact CA-O 3.22Å; Y574-W624 PolarHBondContact N-O 2.91Å; Y574-W624 PolarHBondContact O-N 3.39Å; V576-W624 HydrophobicContact CG2-CB 3.59Å; W624-T632 HydrophobicContact CZ2-CG2 3.75Å; W624-T632 VanDerWaalsContact CZ2-OG1 3.31Å; W624-T632 WeakPolarHBondContact CZ2-OG1 3.48Å; W624-L634 HydrophobicContact CE3-CB 4.02Å; W624-L634 HydrophobicContact CE3-CD1 3.93Å; W624-L634 HydrophobicContact CZ3-CB 4.18Å; W624-I716 HydrophobicContact CD2-CD1 4.34Å; W624-I716 HydrophobicContact CD2-CG1 3.86Å; W624-I716 HydrophobicContact CE3-CG1 4.44Å; W624-I716 HydrophobicContact CG-CD1 4.25Å; W624-I716 HydrophobicContact CG-CG1 4.16Å; W624-I716 HydrophobicContact CH2-CG1 4.44Å; W624-I716 HydrophobicContact CZ2-CG1 3.85Å; W624-I737 HydrophobicContact CE3-CD1 3.74Å; W624-I737 HydrophobicContact CH2-CD1 4.06Å; W624-I737 HydrophobicContact CZ3-CD1 3.4Å; W624-I737 HydrophobicContact CZ3-CG1 3.99Å
625	I	81.3	Confident	71.4	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.5	-168	-66.4	147.7	0	0	0	111.6	Y559 V571 L623 D627 T632 T633 I635	Y559-I625 HydrophobicContact CD1-CG2 3.84Å; Y559-I625 HydrophobicContact CE1-CG2 4.32Å; V571-I625 HydrophobicContact CG2-CD1 3.4Å; V571-I625 HydrophobicContact CG2-CG1 3.71Å; V571-I625 HydrophobicContact CG2-CG2 4.11Å; L623-I625 HydrophobicContact CB-CD1 3.92Å; L623-I625 HydrophobicContact CB-CG1 4.06Å; I625-D627 PolarHBondContact O-N 3.4Å; I625-T632 WeakPolarHBondContact O-CA 3.39Å; I625-T633 PolarHBondContact N-O 2.67Å; I625-T633 PolarHBondContact O-N 3.03Å; I625-I635 HydrophobicContact CD1-CB 3.96Å; I625-I635 HydrophobicContact CD1-CD1 3.43Å; I625-I635 VanDerWaalsContact CD1-CD1 3.43Å; I625-I635 HydrophobicContact CD1-CG1 3.7Å
626	S	71.3	Confident	73.4	Confident	59 Å²	59	40.8 Å²	40.8	41%	0.413	24%	0.235	S	C	.	.			trans	-63.6	39.6	174.1	-106.4	0	0	0	0	120.9	S628 T632	S626-S628 PolarHBondContact O-N 2.85Å; S626-S628 PolarHBondContact OG-O 3.32Å; S626-T632 WeakPolarHBondContact OG-CG2 3.14Å
627	D	61.4	Low	74.9	Confident	50 Å²	50	32.2 Å²	32.2	27%	0.267	20%	0.198	S	C	.	.	S	Bend	trans	-56.1	-31.8	-168	-73.7	-40.9	0	0	0	114	Y559 I625 S631 T633	Y559-D627 WeakPolarHBondContact CD1-OD1 3.23Å; Y559-D627 VanDerWaalsContact CE1-OD1 3.22Å; Y559-D627 WeakPolarHBondContact CE1-OD1 3.33Å; I625-D627 PolarHBondContact O-N 3.4Å; D627-S631 PolarHBondContact N-O 2.79Å; D627-T633 WeakPolarHBondContact OD2-CB 3.33Å; D627-T633 PolarHBondContact OD2-OG1 3.27Å
628	S	54.2	Low	75.9	Confident	48 Å²	48	31.6 Å²	31.6	34%	0.336	19%	0.194	S	C	.	.	S	Bend	trans	-153.7	-168.3	164.1	73.9	0	0	0	0	110.9	S626 T630 S631	S626-S628 PolarHBondContact O-N 2.85Å; S626-S628 PolarHBondContact OG-O 3.32Å; S628-T630 PolarHBondContact O-N 3.06Å; S628-T630 PolarHBondContact OG-N 3.38Å; S628-T630 VanDerWaalsContact OG-N 3.17Å; S628-T630 PolarHBondContact OG-OG1 2.92Å; S628-S631 WeakPolarHBondContact CB-OG 3.45Å; S628-S631 PolarHBondContact N-O 3.25Å; S628-S631 PolarHBondContact N-OG 3.27Å; S628-S631 PolarHBondContact OG-N 3.08Å; S628-S631 PolarHBondContact OG-OG 3.13Å
629	V	47.8	Very low	76.5	Confident	149 Å²	149	29.6 Å²	29.6	90%	0.903	18%	0.182	S	C	*	.	S	Bend	trans	-67.4	-23.2	171.5	-177.5	0	0	0	0	112.1
630	T	46.4	Very low	76.1	Confident	133 Å²	133	29 Å²	29	82%	0.816	18%	0.179	S	C	*	.	S	Bend	trans	-122.8	-8.8	-173.6	53.2	0	0	0	0	114.4	S628	S628-T630 PolarHBondContact O-N 3.06Å; S628-T630 PolarHBondContact OG-N 3.38Å; S628-T630 VanDerWaalsContact OG-N 3.17Å; S628-T630 PolarHBondContact OG-OG1 2.92Å
631	S	60.7	Low	75.1	Confident	51 Å²	51	31.8 Å²	31.8	36%	0.357	20%	0.197	S	C	.	.			trans	-119.1	115.8	176.7	61.7	0	0	0	0	110.5	D627 S628	D627-S631 PolarHBondContact N-O 2.79Å; S628-S631 WeakPolarHBondContact CB-OG 3.45Å; S628-S631 PolarHBondContact N-O 3.25Å; S628-S631 PolarHBondContact N-OG 3.27Å; S628-S631 PolarHBondContact OG-N 3.08Å; S628-S631 PolarHBondContact OG-OG 3.13Å
632	T	70.2	Confident	73.6	Confident	36 Å²	36	36.6 Å²	36.6	22%	0.221	22%	0.222	C	C	.	.			trans	-117.9	136.5	176.9	40.2	0	0	0	0	109.6	W624 I625 S626 S719	W624-T632 HydrophobicContact CZ2-CG2 3.75Å; W624-T632 VanDerWaalsContact CZ2-OG1 3.31Å; W624-T632 WeakPolarHBondContact CZ2-OG1 3.48Å; I625-T632 WeakPolarHBondContact O-CA 3.39Å; S626-T632 WeakPolarHBondContact OG-CG2 3.14Å; T632-S719 VanDerWaalsContact OG1-CB 3.31Å; T632-S719 WeakPolarHBondContact OG1-CB 3.4Å; T632-S719 PolarHBondContact OG1-OG 2.82Å
633	T	79.5	Confident	72.2	Confident	39 Å²	39	37.2 Å²	37.2	24%	0.239	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.3	-175.9	-53.4	0	0	0	0	109.9	I625 D627 I635	I625-T633 PolarHBondContact N-O 2.67Å; I625-T633 PolarHBondContact O-N 3.03Å; D627-T633 WeakPolarHBondContact OD2-CB 3.33Å; D627-T633 PolarHBondContact OD2-OG1 3.27Å; T633-I635 HydrophobicContact CG2-CD1 4.1Å; T633-I635 HydrophobicContact CG2-CG1 3.75Å
634	L	86.3	Confident	71	Confident	17 Å²	17	42 Å²	42	9%	0.089	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.3	170	-171.7	80.5	0	0	0	108.8	V576 Y622 L623 W624 H735 I737 I872	V576-L634 HydrophobicContact CB-CD1 4.26Å; V576-L634 HydrophobicContact CG2-CD1 3.72Å; Y622-L634 HydrophobicContact CD1-CD1 4.48Å; Y622-L634 HydrophobicContact CD1-CD2 3.9Å; Y622-L634 HydrophobicContact CD1-CG 3.95Å; Y622-L634 HydrophobicContact CE1-CD2 4.38Å; Y622-L634 HydrophobicContact CG-CD2 4.5Å; L623-L634 CarbonylContact O-C 3.24Å; L623-L634 WeakPolarHBondContact O-CA 3.42Å; W624-L634 HydrophobicContact CE3-CB 4.02Å; W624-L634 HydrophobicContact CE3-CD1 3.93Å; W624-L634 HydrophobicContact CZ3-CB 4.18Å; L634-H735 WeakPolarHBondContact CD2-O 3.46Å; L634-I737 HydrophobicContact CD1-CD1 4.38Å; L634-I737 HydrophobicContact CD2-CG1 4.1Å; L634-I872 HydrophobicContact CD2-CB 4.32Å; L634-I872 HydrophobicContact CD2-CD1 3.93Å; L634-I872 HydrophobicContact CD2-CG1 3.79Å; L634-I872 HydrophobicContact CD2-CG2 3.61Å
635	I	87.8	Confident	70.2	Confident	7 Å²	7	41.6 Å²	41.6	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.2	-176.9	-56.6	-174.3	0	0	0	111.3	Y559 Y622 L623 I625 T633 C637 I685	Y559-I635 HydrophobicContact CD1-CD1 4.39Å; Y559-I635 HydrophobicContact CD2-CD1 4.22Å; Y559-I635 HydrophobicContact CE1-CD1 3.72Å; Y559-I635 HydrophobicContact CE2-CD1 3.52Å; Y559-I635 WeakPolarHBondContact OH-CD1 3.08Å; Y622-I635 WeakPolarHBondContact CA-O 3.45Å; L623-I635 PolarHBondContact N-O 3.07Å; L623-I635 PolarHBondContact O-N 2.87Å; I625-I635 HydrophobicContact CD1-CB 3.96Å; I625-I635 HydrophobicContact CD1-CD1 3.43Å; I625-I635 VanDerWaalsContact CD1-CD1 3.43Å; I625-I635 HydrophobicContact CD1-CG1 3.7Å; T633-I635 HydrophobicContact CG2-CD1 4.1Å; T633-I635 HydrophobicContact CG2-CG1 3.75Å; I635-C637 PolarHBondContact O-N 3.29Å; I635-I685 HydrophobicContact CD1-CD1 4.38Å; I635-I685 HydrophobicContact CG2-CD1 4.03Å; I635-I685 HydrophobicContact CG2-CG1 3.98Å
636	P	91.2	Very high	69.7	Low	1 Å²	1	41.3 Å²	41.3	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.4	164.9	27.8	-31.4	0	0	0	110.6	W592 Y622 S683 F684 I685	W592-P636 HydrophobicContact CH2-CG 3.96Å; W592-P636 HydrophobicContact CZ3-CB 4.41Å; W592-P636 HydrophobicContact CZ3-CG 3.95Å; Y622-P636 HydrophobicContact CD1-CB 4.14Å; Y622-P636 HydrophobicContact CE1-CB 3.58Å; Y622-P636 HydrophobicContact CE1-CG 4.19Å; P636-S683 WeakPolarHBondContact CD-O 3.14Å; P636-S683 VanDerWaalsContact CG-O 3.26Å; P636-S683 WeakPolarHBondContact CG-O 3.45Å; P636-F684 HydrophobicContact CG-CB 3.92Å; P636-F684 WeakPolarHBondContact O-CA 3.49Å; P636-F684 WeakPolarHBondContact O-CB 3.32Å; P636-I685 PolarHBondContact O-N 3.4Å
637	C	90.2	Very high	69.6	Low	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.2	175	-66.2	0	0	0	0	108.3	I620 F621 I635 I675 I685 I687	I620-C637 CarbonylContact C-O 3.56Å; I620-C637 WeakPolarHBondContact CA-O 3.25Å; F621-C637 HydrophobicContact CD1-CB 4.13Å; F621-C637 HydrophobicContact CD2-CB 3.85Å; F621-C637 HydrophobicContact CE1-CB 3.9Å; F621-C637 HydrophobicContact CE2-CB 3.59Å; F621-C637 HydrophobicContact CG-CB 4.11Å; F621-C637 HydrophobicContact CZ-CB 3.63Å; F621-C637 PolarHBondContact N-O 2.9Å; F621-C637 WeakPolarHBondContact O-CB 3.41Å; F621-C637 PolarHBondContact O-N 2.04Å; I635-C637 PolarHBondContact O-N 3.29Å; C637-I675 HydrophobicContact CB-CD1 4.41Å; C637-I685 WeakPolarHBondContact CA-O 3.48Å; C637-I687 HydrophobicContact CB-CD1 3.82Å
638	I	87	Confident	69.7	Low	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	116.6	-169.3	-61.1	175	0	0	0	108.9	W592 Y593 I620 F684 I685 L686 I687	W592-I638 HydrophobicContact CZ3-CD1 4.28Å; Y593-I638 HydrophobicContact CD1-CD1 4.37Å; Y593-I638 HydrophobicContact CD1-CG2 4.46Å; Y593-I638 HydrophobicContact CD2-CD1 3.34Å; Y593-I638 HydrophobicContact CE1-CG2 4.31Å; Y593-I638 HydrophobicContact CE2-CD1 3.99Å; Y593-I638 HydrophobicContact CG-CD1 3.57Å; I620-I638 HydrophobicContact CG2-CG1 4.24Å; I638-F684 HydrophobicContact CD1-CB 4.28Å; I638-F684 HydrophobicContact CD1-CD2 4.36Å; I638-F684 HydrophobicContact CD1-CG 4.37Å; I638-I685 PolarHBondContact N-O 2.81Å; I638-L686 HydrophobicContact CB-CD2 4.06Å; I638-L686 HydrophobicContact CG2-CD2 4.1Å; I638-I687 PolarHBondContact O-N 2.87Å
639	C	77.9	Confident	70.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.9	-177.9	-65	0	0	0	0	111.3	S617 T618 R619 V643	S617-C639 CarbonylContact C-O 3.58Å; S617-C639 VanDerWaalsContact CA-O 3.25Å; S617-C639 WeakPolarHBondContact CA-O 3.32Å; T618-C639 PolarHBondContact N-O 3.45Å; R619-C639 HydrophobicContact CB-CB 3.92Å; R619-C639 PolarHBondContact O-N 3.13Å; C639-V643 HydrophobicContact CB-CB 3.85Å; C639-V643 HydrophobicContact CB-CG1 4.16Å; C639-V643 HydrophobicContact CB-CG2 4.06Å
640	L	69	Low	71	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	18%	0.178	C	C	.	.			trans	-74	-164.5	167.8	-57.8	-179.3	0	0	0	110.8	F611 Q615 T618 L686 I687 D688	F611-L640 HydrophobicContact CD1-CD1 3.9Å; Q615-L640 HydrophobicContact CB-CD2 4.29Å; T618-L640 PolarHBondContact OG1-O 3.31Å; L640-L686 HydrophobicContact CD2-CD2 4.42Å; L640-I687 PolarHBondContact N-O 3.08Å; L640-D688 HydrophobicContact CD1-CB 4.16Å
641	V	63.7	Low	71.5	Confident	60 Å²	60	25 Å²	25	36%	0.364	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	145.1	-176.6	-170.5	0	0	0	0	111.5	K616 T618 V643	K616-V641 VanDerWaalsContact O-CG2 3.28Å; K616-V641 WeakPolarHBondContact O-CG2 3.24Å; T618-V641 HydrophobicContact CG2-CB 4.45Å; T618-V641 HydrophobicContact CG2-CG1 4.48Å; T618-V641 HydrophobicContact CG2-CG2 4.48Å; V641-V643 PolarHBondContact O-N 2.85Å
642	D	57.1	Low	71.2	Confident	101 Å²	101	28 Å²	28	54%	0.54	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	18.3	176.9	-58.7	-32.6	0	0	0	117.9
643	V	61.1	Low	70.3	Confident	13 Å²	13	29.9 Å²	29.9	8%	0.079	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-83.8	132.8	174.7	-173	0	0	0	0	112	C639 V641 I687 L693	C639-V643 HydrophobicContact CB-CB 3.85Å; C639-V643 HydrophobicContact CB-CG1 4.16Å; C639-V643 HydrophobicContact CB-CG2 4.06Å; V641-V643 PolarHBondContact O-N 2.85Å; V643-I687 HydrophobicContact CG1-CG2 3.6Å; V643-I687 HydrophobicContact CG2-CG2 4.26Å; V643-L693 HydrophobicContact CG1-CD1 3.66Å
644	I	62.7	Low	68.7	Low	99 Å²	99	31.5 Å²	31.5	51%	0.508	16%	0.162	S	C	.	.	P	Polyproline II helix	trans	-69	137.4	174.9	-53.8	175.9	0	0	0	110	E648 L649 L693	I644-E648 HydrophobicContact CG2-CB 4.06Å; I644-L649 HydrophobicContact CG2-CD2 4.04Å; I644-L649 HydrophobicContact CG2-CG 3.98Å; I644-L693 VanDerWaalsContact O-CD1 3.28Å; I644-L693 WeakPolarHBondContact O-CD1 3.2Å
645	S	68.1	Low	66.5	Low	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-73.8	146.7	178.3	141.6	0	0	0	0	113.8	E578 R619 M647 E648 L649	E578-S645 WeakPolarHBondContact OE1-CB 3.45Å; E578-S645 PolarHBondContact OE1-OG 3.17Å; E578-S645 PolarHBondContact OE2-OG 3.11Å; R619-S645 VanDerWaalsContact NE-CB 3.28Å; S645-M647 PolarHBondContact O-N 3.45Å; S645-M647 WeakPolarHBondContact OG-CA 3.24Å; S645-M647 WeakPolarHBondContact OG-CB 3.48Å; S645-M647 PolarHBondContact OG-N 2.62Å; S645-E648 PolarHBondContact N-OE2 2.77Å; S645-E648 WeakPolarHBondContact O-CB 3.34Å; S645-E648 PolarHBondContact O-N 2.98Å; S645-E648 VanDerWaalsContact O-N 3.09Å; S645-E648 PolarHBondContact OG-N 3.05Å; S645-L649 WeakPolarHBondContact O-CG 3.45Å; S645-L649 PolarHBondContact O-N 2.93Å
646	P	70.5	Confident	64.1	Low	1 Å²	1	39 Å²	39	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-46.9	-52.7	159.7	-31.9	38.4	0	0	0	114.2	L575 E578 F621 E648 L649 I650 I673	L575-P646 HydrophobicContact CD1-CB 4.32Å; L575-P646 HydrophobicContact CD2-CB 3.75Å; E578-P646 WeakPolarHBondContact OE2-CD 3.46Å; F621-P646 HydrophobicContact CB-CG 4.47Å; F621-P646 HydrophobicContact CD1-CG 3.57Å; F621-P646 HydrophobicContact CD2-CG 3.91Å; F621-P646 HydrophobicContact CE1-CG 3.56Å; F621-P646 HydrophobicContact CE2-CG 3.9Å; F621-P646 HydrophobicContact CG-CG 3.74Å; F621-P646 HydrophobicContact CZ-CG 3.73Å; P646-E648 VanDerWaalsContact C-N 3.29Å; P646-E648 PolarHBondContact O-N 3.17Å; P646-L649 PolarHBondContact O-N 2.98Å; P646-I650 WeakPolarHBondContact O-CB 3.5Å; P646-I650 WeakPolarHBondContact O-CD1 2.94Å; P646-I650 WeakPolarHBondContact O-CG1 3.28Å; P646-I650 PolarHBondContact O-N 3.16Å; P646-I673 HydrophobicContact CB-CD1 3.61Å; P646-I673 HydrophobicContact CG-CD1 3.97Å
647	M	67.9	Low	61.3	Low	12 Å²	12	44.8 Å²	44.8	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-34.5	174.5	-66.2	-62	-63.7	0	0	113	L575 E578 S645 I650 Y651 T666 G668	L575-M647 HydrophobicContact CD2-SD 4.17Å; E578-M647 HydrophobicContact CB-CG 4.05Å; E578-M647 HydrophobicContact CG-CG 4.49Å; E578-M647 WeakPolarHBondContact OE2-CB 3.28Å; E578-M647 VanDerWaalsContact OE2-CG 3.25Å; E578-M647 WeakPolarHBondContact OE2-CG 3.19Å; E578-M647 PolarHBondContact OE2-N 2.65Å; S645-M647 PolarHBondContact O-N 3.45Å; S645-M647 WeakPolarHBondContact OG-CA 3.24Å; S645-M647 WeakPolarHBondContact OG-CB 3.48Å; S645-M647 PolarHBondContact OG-N 2.62Å; M647-I650 PolarHBondContact O-N 2.79Å; M647-I650 HydrophobicContact SD-CD1 3.94Å; M647-Y651 HydrophobicContact CB-CD2 4.4Å; M647-Y651 HydrophobicContact CB-CE2 4.1Å; M647-Y651 HydrophobicContact CE-CE1 4.41Å; M647-Y651 HydrophobicContact CE-CE2 3.86Å; M647-Y651 VanDerWaalsContact CE-OH 3.28Å; M647-Y651 WeakPolarHBondContact CE-OH 3.39Å; M647-Y651 WeakPolarHBondContact O-CB 3.41Å; M647-Y651 WeakPolarHBondContact O-CD2 3.44Å; M647-Y651 VanDerWaalsContact O-CG 3.28Å; M647-Y651 PolarHBondContact O-N 3.29Å; M647-T666 WeakPolarHBondContact CE-O 3.09Å; M647-G668 WeakPolarHBondContact SD-CA 3.47Å
648	E	65.5	Low	58.3	Low	34 Å²	34	49.5 Å²	49.5	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-42.6	174.2	-74.7	177.2	146.5	0	0	112.4	R619 I644 S645 P646 Y651 E652 C761 R789	R619-E648 IonicContact CZ-OE2 2.82Å; R619-E648 IonicContact NE-OE2 3.25Å; R619-E648 IonicContact NH2-OE1 3.13Å; R619-E648 PolarHBondContact NH2-OE1 2.97Å; R619-E648 VanDerWaalsContact NH2-OE1 3.13Å; R619-E648 IonicContact NH2-OE2 2.67Å; R619-E648 PolarHBondContact NH2-OE2 3.49Å; I644-E648 HydrophobicContact CG2-CB 4.06Å; S645-E648 PolarHBondContact N-OE2 2.77Å; S645-E648 WeakPolarHBondContact O-CB 3.34Å; S645-E648 PolarHBondContact O-N 2.98Å; S645-E648 VanDerWaalsContact O-N 3.09Å; S645-E648 PolarHBondContact OG-N 3.05Å; P646-E648 VanDerWaalsContact C-N 3.29Å; P646-E648 PolarHBondContact O-N 3.17Å; E648-Y651 PolarHBondContact O-N 3.1Å; E648-E652 PolarHBondContact O-N 3.46Å; E648-C761 HydrophobicContact CG-CB 4.39Å; E648-R789 IonicContact OE1-CZ 2.7Å; E648-R789 IonicContact OE1-NE 2.73Å; E648-R789 PolarHBondContact OE1-NE 2.85Å; E648-R789 IonicContact OE1-NH2 3.7Å; E648-R789 PolarHBondContact OE1-NH2 3.36Å
649	L	64.9	Low	55.4	Low	29 Å²	29	54.6 Å²	54.6	15%	0.152	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-45	172.7	-66.8	168.9	0	0	0	111.3	I644 S645 P646 Y651 E652 H653 L693 T695	I644-L649 HydrophobicContact CG2-CD2 4.04Å; I644-L649 HydrophobicContact CG2-CG 3.98Å; S645-L649 WeakPolarHBondContact O-CG 3.45Å; S645-L649 PolarHBondContact O-N 2.93Å; P646-L649 PolarHBondContact O-N 2.98Å; L649-Y651 PolarHBondContact O-N 3.04Å; L649-E652 PolarHBondContact O-N 2.88Å; L649-H653 PolarHBondContact O-N 2.68Å; L649-H653 PolarHBondContact O-ND1 3.4Å; L649-L693 HydrophobicContact CD1-CB 3.81Å; L649-T695 HydrophobicContact CB-CG2 3.98Å
650	I	63.7	Low	53.2	Low	18 Å²	18	59.5 Å²	59.5	9%	0.092	34%	0.338	C	S	.	.	H	α-helix	trans	-58.1	-46.8	174.3	-69.2	160.1	0	0	0	110.7	L575 P646 M647 H653 L654 V671 T695	L575-I650 HydrophobicContact CD2-CD1 3.69Å; P646-I650 WeakPolarHBondContact O-CB 3.5Å; P646-I650 WeakPolarHBondContact O-CD1 2.94Å; P646-I650 WeakPolarHBondContact O-CG1 3.28Å; P646-I650 PolarHBondContact O-N 3.16Å; M647-I650 PolarHBondContact O-N 2.79Å; M647-I650 HydrophobicContact SD-CD1 3.94Å; I650-H653 PolarHBondContact O-N 3.4Å; I650-L654 HydrophobicContact CG2-CD1 3.68Å; I650-L654 HydrophobicContact CG2-CG 4.24Å; I650-L654 WeakPolarHBondContact O-CB 3.49Å; I650-L654 VanDerWaalsContact O-CG 3.29Å; I650-L654 WeakPolarHBondContact O-CG 3.44Å; I650-L654 PolarHBondContact O-N 3.1Å; I650-V671 HydrophobicContact CD1-CB 3.79Å; I650-V671 HydrophobicContact CD1-CG1 3.86Å; I650-V671 HydrophobicContact CD1-CG2 3.6Å; I650-V671 HydrophobicContact CG1-CB 4.25Å; I650-V671 HydrophobicContact CG1-CG1 3.81Å; I650-V671 HydrophobicContact CG1-CG2 3.98Å; I650-T695 HydrophobicContact CG1-CG2 4.16Å
651	Y	57.3	Low	51.5	Low	2 Å²	2	64.3 Å²	64.3	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-68.5	-40.4	179.6	-71.6	-49	0	0	0	112.4	M647 E648 L649 H653 L654 F655 F663 T666	M647-Y651 HydrophobicContact CB-CD2 4.4Å; M647-Y651 HydrophobicContact CB-CE2 4.1Å; M647-Y651 HydrophobicContact CE-CE1 4.41Å; M647-Y651 HydrophobicContact CE-CE2 3.86Å; M647-Y651 VanDerWaalsContact CE-OH 3.28Å; M647-Y651 WeakPolarHBondContact CE-OH 3.39Å; M647-Y651 WeakPolarHBondContact O-CB 3.41Å; M647-Y651 WeakPolarHBondContact O-CD2 3.44Å; M647-Y651 VanDerWaalsContact O-CG 3.28Å; M647-Y651 PolarHBondContact O-N 3.29Å; E648-Y651 PolarHBondContact O-N 3.1Å; L649-Y651 PolarHBondContact O-N 3.04Å; Y651-H653 VanDerWaalsContact C-N 3.28Å; Y651-H653 PolarHBondContact O-N 3.37Å; Y651-L654 PolarHBondContact O-N 3.38Å; Y651-F655 HydrophobicContact CD1-CE2 4.45Å; Y651-F655 WeakPolarHBondContact O-CB 3.39Å; Y651-F655 WeakPolarHBondContact O-CD2 3.44Å; Y651-F655 PolarHBondContact O-N 3.12Å; Y651-F663 HydrophobicContact CD1-CD1 4.38Å; Y651-F663 HydrophobicContact CD1-CE1 4.06Å; Y651-F663 AromaticContact CE1-CD1 3.64Å; Y651-F663 HydrophobicContact CE1-CD1 3.64Å; Y651-F663 AromaticContact CE1-CE1 3.76Å; Y651-F663 HydrophobicContact CE1-CE1 3.76Å; Y651-F663 HydrophobicContact CE1-CG 4.5Å; Y651-T666 PolarHBondContact OH-OG1 3.04Å; Y651-T666 VanDerWaalsContact OH-OG1 3.07Å
652	E	54.6	Low	49.9	Very low	115 Å²	115	67.2 Å²	67.2	54%	0.537	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-33.5	175.9	-70.6	-150.9	131.4	0	0	112.1	R178 E648 L649	R178-E652 IonicContact CZ-OE1 3.02Å; R178-E652 IonicContact NH1-OE1 3.22Å; R178-E652 PolarHBondContact NH1-OE1 2.97Å; R178-E652 IonicContact NH2-OE1 2.65Å; E648-E652 PolarHBondContact O-N 3.46Å; L649-E652 PolarHBondContact O-N 2.88Å
653	H	51.2	Low	48.9	Very low	75 Å²	75	64.2 Å²	64.2	35%	0.347	37%	0.368	S	S	.	.	H	α-helix	trans	-71.6	-42.6	171	-75	33.4	0	0	0	112.5	L649 I650 Y651 A656 N697	L649-H653 PolarHBondContact O-N 2.68Å; L649-H653 PolarHBondContact O-ND1 3.4Å; I650-H653 PolarHBondContact O-N 3.4Å; Y651-H653 VanDerWaalsContact C-N 3.28Å; Y651-H653 PolarHBondContact O-N 3.37Å; H653-A656 WeakPolarHBondContact O-CB 3.38Å; H653-A656 PolarHBondContact O-N 2.94Å; H653-N697 PolarHBondContact CD2-ND2 2.81Å; H653-N697 PolarHBondContact CD2-OD1 2.81Å; H653-N697 PolarHBondContact NE2-ND2 3.17Å; H653-N697 VanDerWaalsContact NE2-ND2 3.19Å
654	L	44.8	Very low	47.6	Very low	74 Å²	74	67.1 Å²	67.1	39%	0.387	38%	0.383	S	S	.	.	H	α-helix	trans	-69.4	-31.4	179	-74	176.5	0	0	0	113.3	I650 Y651 A656 I657 F663	I650-L654 HydrophobicContact CG2-CD1 3.68Å; I650-L654 HydrophobicContact CG2-CG 4.24Å; I650-L654 WeakPolarHBondContact O-CB 3.49Å; I650-L654 VanDerWaalsContact O-CG 3.29Å; I650-L654 WeakPolarHBondContact O-CG 3.44Å; I650-L654 PolarHBondContact O-N 3.1Å; Y651-L654 PolarHBondContact O-N 3.38Å; L654-A656 PolarHBondContact O-N 3.39Å; L654-I657 CarbonylContact O-C 3.59Å; L654-I657 WeakPolarHBondContact O-CA 3.13Å; L654-I657 WeakPolarHBondContact O-CB 3.29Å; L654-I657 PolarHBondContact O-N 3.23Å; L654-F663 HydrophobicContact CD1-CE1 4.29Å
655	F	40.5	Very low	46.4	Very low	92 Å²	92	66.4 Å²	66.4	40%	0.404	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.1	177.6	-85.7	-66.4	0	0	0	114.1	Y651 F663 Y760	Y651-F655 HydrophobicContact CD1-CE2 4.45Å; Y651-F655 WeakPolarHBondContact O-CB 3.39Å; Y651-F655 WeakPolarHBondContact O-CD2 3.44Å; Y651-F655 PolarHBondContact O-N 3.12Å; F655-F663 HydrophobicContact CZ-CE2 4.38Å; F655-Y760 AromaticContact CE1-CD1 3.95Å; F655-Y760 HydrophobicContact CE1-CD1 3.95Å; F655-Y760 AromaticContact CE1-CE1 3.87Å; F655-Y760 HydrophobicContact CE1-CE1 3.87Å; F655-Y760 AromaticContact CE2-CD1 3.81Å; F655-Y760 HydrophobicContact CE2-CD1 3.81Å; F655-Y760 AromaticContact CZ-CD1 3.42Å; F655-Y760 HydrophobicContact CZ-CD1 3.42Å; F655-Y760 VanDerWaalsContact CZ-CD1 3.42Å; F655-Y760 AromaticContact CZ-CE1 3.73Å; F655-Y760 HydrophobicContact CZ-CE1 3.73Å
656	A	37.2	Very low	45.1	Very low	89 Å²	89	68.1 Å²	68.1	74%	0.736	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.6	162	0	0	0	0	0	112.6	H653 L654	H653-A656 WeakPolarHBondContact O-CB 3.38Å; H653-A656 PolarHBondContact O-N 2.94Å; L654-A656 PolarHBondContact O-N 3.39Å
657	I	32.1	Very low	43.9	Very low	122 Å²	122	69.6 Å²	69.6	63%	0.626	41%	0.406	S	S	*	.	S	Bend	trans	-107.7	129.2	178.9	-53.1	178.7	0	0	0	109.2	L654 S659	L654-I657 CarbonylContact O-C 3.59Å; L654-I657 WeakPolarHBondContact O-CA 3.13Å; L654-I657 WeakPolarHBondContact O-CB 3.29Å; L654-I657 PolarHBondContact O-N 3.23Å; I657-S659 PolarHBondContact O-N 3.28Å
658	S	26.7	Very low	43	Very low	99 Å²	99	69.3 Å²	69.3	69%	0.692	41%	0.406	S	S	*	.			trans	-66.4	119.8	-165.6	55.8	0	0	0	0	115
659	S	27.1	Very low	42.5	Very low	108 Å²	108	68.2 Å²	68.2	76%	0.755	40%	0.401	S	S	*	.			trans	42.1	84.9	143.6	61.1	0	0	0	0	117.7	I657	I657-S659 PolarHBondContact O-N 3.28Å
660	T	31.7	Very low	42.3	Very low	102 Å²	102	67 Å²	67	63%	0.626	40%	0.396	S	S	*	.			trans	-130.2	149.4	155.9	54.5	0	0	0	0	110.9	N662 F663	T660-N662 PolarHBondContact O-N 3.04Å; T660-F663 VanDerWaalsContact O-CE2 3.25Å; T660-F663 WeakPolarHBondContact O-CE2 3.11Å
661	S	32.8	Very low	42.6	Very low	105 Å²	105	66.9 Å²	66.9	73%	0.734	40%	0.395	S	S	*	.			trans	-89.6	12	-168.2	51.7	0	0	0	0	115	F663	S661-F663 VanDerWaalsContact C-N 3.31Å; S661-F663 PolarHBondContact O-N 2.8Å
662	N	30.9	Very low	43.5	Very low	121 Å²	121	69.4 Å²	69.4	65%	0.647	41%	0.405	S	S	*	.			trans	-90.5	19.1	-162.8	-67.2	-3.7	0	0	0	114.7	T660 L664	T660-N662 PolarHBondContact O-N 3.04Å; N662-L664 PolarHBondContact O-N 2.81Å
663	F	36.6	Very low	44.8	Very low	38 Å²	38	64 Å²	64	17%	0.167	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-70.6	4.7	-178.3	-63.7	-65.6	0	0	0	115.5	Y651 L654 F655 T660 S661 S665 T666 L798	Y651-F663 HydrophobicContact CD1-CD1 4.38Å; Y651-F663 HydrophobicContact CD1-CE1 4.06Å; Y651-F663 AromaticContact CE1-CD1 3.64Å; Y651-F663 HydrophobicContact CE1-CD1 3.64Å; Y651-F663 AromaticContact CE1-CE1 3.76Å; Y651-F663 HydrophobicContact CE1-CE1 3.76Å; Y651-F663 HydrophobicContact CE1-CG 4.5Å; L654-F663 HydrophobicContact CD1-CE1 4.29Å; F655-F663 HydrophobicContact CZ-CE2 4.38Å; T660-F663 VanDerWaalsContact O-CE2 3.25Å; T660-F663 WeakPolarHBondContact O-CE2 3.11Å; S661-F663 VanDerWaalsContact C-N 3.31Å; S661-F663 PolarHBondContact O-N 2.8Å; F663-S665 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 3.04Å; F663-T666 HydrophobicContact CD1-CG2 4.31Å; F663-T666 PolarHBondContact O-OG1 2.91Å; F663-L798 HydrophobicContact CB-CD2 4.46Å
664	L	32.7	Very low	46.2	Very low	74 Å²	74	63.2 Å²	63.2	39%	0.387	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-67.3	-25.9	178.3	-87.1	163.2	0	0	0	113.8	N662 L798 L851	N662-L664 PolarHBondContact O-N 2.81Å; L664-L798 HydrophobicContact CD2-CD1 3.52Å; L664-L798 HydrophobicContact CG-CD1 3.73Å; L664-L851 HydrophobicContact CD2-CD1 3.97Å
665	S	38.5	Very low	48.1	Very low	84 Å²	84	59.7 Å²	59.7	59%	0.587	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-119.4	22.6	-179.4	76.9	0	0	0	0	113.8	F663 T667	F663-S665 VanDerWaalsContact C-N 3.31Å; F663-S665 PolarHBondContact O-N 3.04Å; S665-T667 VanDerWaalsContact C-N 3.32Å; S665-T667 PolarHBondContact O-N 2.89Å; S665-T667 VanDerWaalsContact O-N 3.15Å
666	T	40	Very low	49.9	Very low	37 Å²	37	57.5 Å²	57.5	23%	0.227	35%	0.351	C	S	.	.			trans	-85	78	171.5	47.5	0	0	0	0	110.3	M647 Y651 F663 R800	M647-T666 WeakPolarHBondContact CE-O 3.09Å; Y651-T666 PolarHBondContact OH-OG1 3.04Å; Y651-T666 VanDerWaalsContact OH-OG1 3.07Å; F663-T666 HydrophobicContact CD1-CG2 4.31Å; F663-T666 PolarHBondContact O-OG1 2.91Å; T666-R800 PolarHBondContact O-NH2 3.21Å
667	T	45	Very low	51.7	Low	31 Å²	31	55.1 Å²	55.1	19%	0.19	33%	0.325	C	S	.	.			trans	-62.2	149.1	131.1	49.7	0	0	0	0	107.9	L577 S665 F669 D902	L577-T667 HydrophobicContact CD1-CG2 4.18Å; S665-T667 VanDerWaalsContact C-N 3.32Å; S665-T667 PolarHBondContact O-N 2.89Å; S665-T667 VanDerWaalsContact O-N 3.15Å; T667-F669 PolarHBondContact O-N 3.44Å; T667-D902 WeakPolarHBondContact CB-OD2 3.46Å; T667-D902 WeakPolarHBondContact CG2-OD2 3.3Å; T667-D902 PolarHBondContact OG1-OD2 2.84Å
668	G	49.2	Very low	53.8	Low	6 Å²	6	49.3 Å²	49.3	6%	0.062	30%	0.295	C	S	.	.			trans	-72.6	20.6	-175.1	0	0	0	0	0	115.4	M647 G670 V671	M647-G668 WeakPolarHBondContact SD-CA 3.47Å; G668-G670 PolarHBondContact O-N 2.91Å; G668-V671 PolarHBondContact O-N 3.28Å
669	F	55.5	Low	56.1	Low	12 Å²	12	46 Å²	46	5%	0.053	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	118.4	-160.4	-158.2	-67.2	0	0	0	112.4	L575 V576 T667 K709 L712 I716 L901 M904	L575-F669 CarbonylContact O-C 3.58Å; L575-F669 WeakPolarHBondContact O-CA 3.45Å; V576-F669 HydrophobicContact CG1-CD2 4.21Å; V576-F669 HydrophobicContact CG1-CE2 3.77Å; V576-F669 HydrophobicContact CG1-CZ 4.45Å; V576-F669 WeakPolarHBondContact O-CD2 3.44Å; T667-F669 PolarHBondContact O-N 3.44Å; F669-K709 WeakPolarHBondContact O-CE 3.39Å; F669-K709 PolarHBondContact O-NZ 3.24Å; F669-L712 HydrophobicContact CE1-CD2 4.2Å; F669-I716 HydrophobicContact CE1-CD1 3.9Å; F669-I716 HydrophobicContact CZ-CD1 3.52Å; F669-L901 HydrophobicContact CE2-CB 4.12Å; F669-L901 HydrophobicContact CE2-CD1 4.12Å; F669-L901 HydrophobicContact CE2-CD2 4.29Å; F669-L901 HydrophobicContact CE2-CG 4.39Å; F669-M904 HydrophobicContact CD1-CE 3.83Å; F669-M904 HydrophobicContact CD1-CG 3.77Å; F669-M904 HydrophobicContact CD1-SD 3.33Å; F669-M904 WeakPolarHBondContact CD1-SD 3.49Å; F669-M904 HydrophobicContact CE1-CE 3.71Å; F669-M904 HydrophobicContact CE1-CG 3.49Å; F669-M904 VanDerWaalsContact CE1-CG 3.49Å; F669-M904 HydrophobicContact CE1-SD 3.59Å; F669-M904 VanDerWaalsContact CE1-SD 3.59Å; F669-M904 HydrophobicContact CG-CG 4.45Å; F669-M904 HydrophobicContact CG-SD 4.16Å; F669-M904 HydrophobicContact CZ-CG 3.94Å
670	G	61.3	Low	58.6	Low	4 Å²	4	41 Å²	41	4%	0.041	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	16.6	175.1	0	0	0	0	0	115.6	L575 G668 Y698	L575-G670 PolarHBondContact O-N 2.9Å; G668-G670 PolarHBondContact O-N 2.91Å; G670-Y698 PolarHBondContact O-OH 2.74Å
671	V	69.3	Low	60.7	Low	15 Å²	15	36.4 Å²	36.4	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.8	167.7	179.9	0	0	0	0	110.5	Y574 L575 I650 G668 I673 T695 Y698	Y574-V671 CarbonylContact C-O 3.57Å; Y574-V671 WeakPolarHBondContact CA-O 3.42Å; L575-V671 HydrophobicContact CB-CB 4.41Å; L575-V671 PolarHBondContact N-O 3.02Å; I650-V671 HydrophobicContact CD1-CB 3.79Å; I650-V671 HydrophobicContact CD1-CG1 3.86Å; I650-V671 HydrophobicContact CD1-CG2 3.6Å; I650-V671 HydrophobicContact CG1-CB 4.25Å; I650-V671 HydrophobicContact CG1-CG1 3.81Å; I650-V671 HydrophobicContact CG1-CG2 3.98Å; G668-V671 PolarHBondContact O-N 3.28Å; V671-I673 HydrophobicContact CG1-CG1 4.48Å; V671-T695 HydrophobicContact CG1-CG2 3.99Å; V671-Y698 VanDerWaalsContact CA-OH 3.31Å; V671-Y698 WeakPolarHBondContact CA-OH 3.25Å; V671-Y698 HydrophobicContact CG2-CE2 4.34Å
672	Y	75.2	Confident	62.7	Low	55 Å²	55	36.6 Å²	36.6	22%	0.216	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.9	175.6	-168.7	-111	0	0	0	110.9	S572 G573 Y574 M674 E696	S572-Y672 VanDerWaalsContact CB-OH 3.25Å; S572-Y672 WeakPolarHBondContact CB-OH 3.28Å; S572-Y672 PolarHBondContact OG-OH 3.29Å; G573-Y672 WeakPolarHBondContact O-CA 3.48Å; G573-Y672 WeakPolarHBondContact O-CD2 3.41Å; Y574-Y672 HydrophobicContact CD1-CD2 4.11Å; Y574-Y672 HydrophobicContact CD2-CD2 4Å; Y574-Y672 AromaticContact CE1-CD2 3.87Å; Y574-Y672 HydrophobicContact CE1-CD2 3.87Å; Y574-Y672 HydrophobicContact CE1-CG 4.29Å; Y574-Y672 AromaticContact CE2-CD2 3.74Å; Y574-Y672 HydrophobicContact CE2-CD2 3.74Å; Y574-Y672 HydrophobicContact CE2-CE2 4.12Å; Y574-Y672 HydrophobicContact CG-CD2 4.19Å; Y574-Y672 AromaticContact CZ-CD2 3.68Å; Y672-M674 HydrophobicContact CE1-CG 4.24Å; Y672-E696 HydrophobicContact CD1-CB 4.24Å; Y672-E696 HydrophobicContact CD1-CG 3.84Å; Y672-E696 WeakPolarHBondContact CD1-OE2 3.45Å; Y672-E696 HydrophobicContact CE1-CG 4.28Å; Y672-E696 VanDerWaalsContact CE1-OE2 3.32Å; Y672-E696 WeakPolarHBondContact CE1-OE2 3.38Å; Y672-E696 PolarHBondContact O-N 3.45Å
673	I	81.6	Confident	65.1	Low	1 Å²	1	33 Å²	33	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	139.9	-177.4	-61.4	174.9	0	0	0	108.6	S572 G573 L575 L623 P646 V671 I675 L693 K694 T695	S572-I673 VanDerWaalsContact CA-O 3.25Å; S572-I673 WeakPolarHBondContact CA-O 3.46Å; G573-I673 PolarHBondContact N-O 3.22Å; G573-I673 PolarHBondContact O-N 3.26Å; L575-I673 HydrophobicContact CB-CD1 3.75Å; L575-I673 HydrophobicContact CD1-CD1 4.27Å; L575-I673 HydrophobicContact CD2-CD1 4.14Å; L575-I673 HydrophobicContact CG-CD1 4.28Å; L623-I673 HydrophobicContact CD2-CB 4.06Å; L623-I673 HydrophobicContact CD2-CD1 4.2Å; P646-I673 HydrophobicContact CB-CD1 3.61Å; P646-I673 HydrophobicContact CG-CD1 3.97Å; V671-I673 HydrophobicContact CG1-CG1 4.48Å; I673-I675 HydrophobicContact CG2-CG1 4.23Å; I673-L693 HydrophobicContact CG2-CD2 4.03Å; I673-K694 CarbonylContact C-O 3.59Å; I673-K694 WeakPolarHBondContact CA-O 3.35Å; I673-T695 HydrophobicContact CG1-CG2 4.3Å
674	M	82.6	Confident	67.4	Low	58 Å²	58	31.2 Å²	31.2	29%	0.286	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.6	162	-61.2	-177.2	-82.1	0	0	109.2	Y672 K694 E696	Y672-M674 HydrophobicContact CE1-CG 4.24Å; M674-K694 HydrophobicContact CB-CB 4.39Å; M674-K694 HydrophobicContact CE-CB 4.29Å; M674-K694 HydrophobicContact CE-CD 4.31Å; M674-K694 PolarHBondContact N-O 3.49Å; M674-K694 PolarHBondContact O-N 3.48Å; M674-E696 HydrophobicContact CE-CG 3.76Å
675	I	84.5	Confident	70	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.1	165.7	-53.4	171.2	0	0	0	106.5	S570 V571 F621 L623 C637 I673 I687 T691 L693	S570-I675 WeakPolarHBondContact CA-O 3.5Å; V571-I675 HydrophobicContact CG1-CB 3.72Å; V571-I675 HydrophobicContact CG1-CD1 3.8Å; V571-I675 HydrophobicContact CG1-CG1 4.11Å; V571-I675 HydrophobicContact CG1-CG2 4.49Å; V571-I675 PolarHBondContact N-O 2.95Å; V571-I675 PolarHBondContact O-N 2.94Å; F621-I675 HydrophobicContact CE2-CD1 4.15Å; F621-I675 HydrophobicContact CZ-CD1 4.02Å; L623-I675 HydrophobicContact CD1-CD1 3.38Å; L623-I675 HydrophobicContact CD1-CG1 4.01Å; C637-I675 HydrophobicContact CB-CD1 4.41Å; I673-I675 HydrophobicContact CG2-CG1 4.23Å; I675-I687 HydrophobicContact CD1-CD1 3.73Å; I675-I687 HydrophobicContact CG1-CD1 4.37Å; I675-I687 HydrophobicContact CG2-CD1 4.36Å; I675-I687 HydrophobicContact CG2-CG1 4.39Å; I675-T691 HydrophobicContact CG2-CG2 3.31Å; I675-L693 HydrophobicContact CG1-CD2 3.81Å
676	D	78.5	Confident	72	Confident	47 Å²	47	23.8 Å²	23.8	25%	0.251	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	140.8	169.5	176.7	22.9	0	0	0	109.8	S556 T691 L692	S556-D676 VanDerWaalsContact CB-OD1 3.24Å; S556-D676 WeakPolarHBondContact CB-OD1 3.42Å; S556-D676 PolarHBondContact OG-OD1 2.96Å; D676-T691 WeakPolarHBondContact O-CG2 3.49Å; D676-L692 HydrophobicContact CB-CB 4.24Å; D676-L692 PolarHBondContact N-O 3.21Å; D676-L692 PolarHBondContact O-N 3.19Å
677	Q	74.5	Confident	73.8	Confident	38 Å²	38	22.1 Å²	22.1	18%	0.178	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.3	35.9	-171.6	-47.9	-65.1	-56.8	0	0	114.3	S556 R568 C569 T691	S556-Q677 VanDerWaalsContact CB-NE2 3.3Å; S556-Q677 PolarHBondContact OG-NE2 3.38Å; S556-Q677 VanDerWaalsContact OG-NE2 3.13Å; R568-Q677 VanDerWaalsContact CD-OE1 3.23Å; C569-Q677 PolarHBondContact O-N 2.8Å; Q677-T691 PolarHBondContact O-OG1 3.34Å
678	G	76.1	Confident	74.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.8	166.4	0	0	0	0	0	111	R568 C569	R568-G678 CarbonylContact C-O 3.39Å; R568-G678 VanDerWaalsContact CA-O 3.25Å; R568-G678 WeakPolarHBondContact CA-O 3.28Å; C569-G678 PolarHBondContact N-O 3.43Å; C569-G678 PolarHBondContact O-N 2.69Å; C569-G678 VanDerWaalsContact O-N 3.16Å; C569-G678 PolarHBondContact SG-O 2.81Å
679	L	75.4	Confident	75.7	Confident	31 Å²	31	27.9 Å²	27.9	16%	0.162	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.8	175.3	-77.4	167.9	0	0	0	110.2	R568 F681 I685 L686	R568-L679 HydrophobicContact CG-CD2 3.78Å; L679-F681 HydrophobicContact CB-CE2 4.14Å; L679-I685 CarbonylContact O-C 3.52Å; L679-I685 WeakPolarHBondContact O-CA 3.33Å; L679-L686 HydrophobicContact CB-CB 4.24Å; L679-L686 PolarHBondContact N-O 3.38Å; L679-L686 PolarHBondContact O-N 3.24Å
680	F	79.5	Confident	75.8	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.013	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.8	179.1	179.1	-106.8	0	0	0	112.7	Y559 L563 N565 Y566 T567 C569 I685	Y559-F680 HydrophobicContact CD2-CD2 4.28Å; Y559-F680 AromaticContact CE2-CD2 3.68Å; Y559-F680 HydrophobicContact CE2-CD2 3.68Å; Y559-F680 AromaticContact CE2-CE2 3.55Å; Y559-F680 HydrophobicContact CE2-CE2 3.55Å; Y559-F680 HydrophobicContact CE2-CZ 4.34Å; L563-F680 HydrophobicContact CB-CD1 3.56Å; L563-F680 HydrophobicContact CB-CE1 3.92Å; L563-F680 HydrophobicContact CB-CG 4.23Å; L563-F680 HydrophobicContact CD1-CB 4.5Å; L563-F680 HydrophobicContact CD1-CG 4.49Å; L563-F680 WeakPolarHBondContact O-CE1 3.38Å; N565-F680 CarbonylContact C-O 3.57Å; Y566-F680 PolarHBondContact N-O 2.93Å; T567-F680 PolarHBondContact O-N 3.42Å; C569-F680 HydrophobicContact CB-CB 4.48Å; F680-I685 HydrophobicContact CD2-CG1 4.12Å
681	F	75.8	Confident	76.2	Confident	5 Å²	5	34.6 Å²	34.6	2%	0.022	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.8	166.1	-66.2	-106.5	0	0	0	107.9	N565 Y566 L600 L608 L679 S683 F684 L686	N565-F681 VanDerWaalsContact OD1-CA 3.24Å; N565-F681 WeakPolarHBondContact OD1-CA 3.37Å; Y566-F681 AromaticContact CD1-CE1 3.9Å; Y566-F681 HydrophobicContact CD1-CE1 3.9Å; Y566-F681 AromaticContact CD1-CZ 3.88Å; Y566-F681 HydrophobicContact CD1-CZ 3.88Å; Y566-F681 HydrophobicContact CE1-CD1 4.19Å; Y566-F681 AromaticContact CE1-CE1 3.33Å; Y566-F681 HydrophobicContact CE1-CE1 3.33Å; Y566-F681 AromaticContact CE1-CZ 3.73Å; Y566-F681 HydrophobicContact CE1-CZ 3.73Å; Y566-F681 AromaticContact CZ-CE1 3.98Å; L600-F681 HydrophobicContact CD1-CD1 3.76Å; L600-F681 HydrophobicContact CD1-CE1 4.34Å; L608-F681 HydrophobicContact CD2-CE1 3.89Å; L679-F681 HydrophobicContact CB-CE2 4.14Å; F681-S683 PolarHBondContact O-N 3.14Å; F681-F684 CarbonylContact C-O 3.54Å; F681-F684 WeakPolarHBondContact CA-O 3.35Å; F681-F684 HydrophobicContact CB-CD1 4.12Å; F681-F684 HydrophobicContact CB-CD2 3.9Å; F681-F684 HydrophobicContact CB-CE1 3.95Å; F681-F684 HydrophobicContact CB-CE2 3.71Å; F681-F684 HydrophobicContact CB-CG 4.1Å; F681-F684 HydrophobicContact CB-CZ 3.73Å; F681-F684 WeakPolarHBondContact CB-O 3.3Å; F681-F684 AromaticContact CD1-CE2 3.94Å; F681-F684 HydrophobicContact CD1-CE2 3.94Å; F681-F684 AromaticContact CD1-CZ 3.78Å; F681-F684 HydrophobicContact CD1-CZ 3.78Å; F681-F684 AromaticContact CD2-CD2 3.98Å; F681-F684 HydrophobicContact CD2-CD2 3.98Å; F681-F684 AromaticContact CD2-CE2 3.57Å; F681-F684 HydrophobicContact CD2-CE2 3.57Å; F681-F684 HydrophobicContact CD2-CZ 4.25Å; F681-F684 HydrophobicContact CE1-CE2 4.43Å; F681-F684 HydrophobicContact CE1-CZ 4.42Å; F681-F684 HydrophobicContact CE2-CE2 4.16Å; F681-F684 HydrophobicContact CG-CD2 4.03Å; F681-F684 HydrophobicContact CG-CE1 4.38Å; F681-F684 AromaticContact CG-CE2 3.46Å; F681-F684 HydrophobicContact CG-CE2 3.46Å; F681-F684 VanDerWaalsContact CG-CE2 3.46Å; F681-F684 AromaticContact CG-CZ 3.67Å; F681-F684 HydrophobicContact CG-CZ 3.67Å; F681-F684 PolarHBondContact N-O 3.02Å; F681-F684 PolarHBondContact O-N 3.17Å; F681-L686 HydrophobicContact CD2-CD1 4.42Å; F681-L686 HydrophobicContact CD2-CG 4.12Å; F681-L686 HydrophobicContact CE2-CB 4.03Å; F681-L686 HydrophobicContact CE2-CD1 3.52Å; F681-L686 HydrophobicContact CE2-CG 3.64Å; F681-L686 HydrophobicContact CZ-CD1 3.71Å; F681-L686 HydrophobicContact CZ-CG 4.3Å
682	D	74.2	Confident	76.3	Confident	108 Å²	108	37.5 Å²	37.5	58%	0.578	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-22.3	-169.1	-60.8	-33.5	0	0	0	116.1	N565	N565-D682 PolarHBondContact ND2-OD1 3.48Å; N565-D682 PolarHBondContact ND2-OD2 2.69Å; N565-D682 PolarHBondContact OD1-N 3.44Å; N565-D682 PolarHBondContact OD1-OD1 2.98Å; N565-D682 PolarHBondContact OD1-OD2 2.88Å
683	S	80.2	Confident	76.3	Confident	46 Å²	46	36 Å²	36	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-1.8	178.5	52.6	0	0	0	0	115.9	P636 F681	P636-S683 WeakPolarHBondContact CD-O 3.14Å; P636-S683 VanDerWaalsContact CG-O 3.26Å; P636-S683 WeakPolarHBondContact CG-O 3.45Å; F681-S683 PolarHBondContact O-N 3.14Å
684	F	86.4	Confident	75.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	165.5	-177.4	58.4	-90.9	0	0	0	113.3	W592 Y593 E596 L600 P636 I638 F681 L686	W592-F684 HydrophobicContact CH2-CB 4.13Å; W592-F684 AromaticContact CH2-CD1 3.81Å; W592-F684 HydrophobicContact CH2-CD1 3.81Å; W592-F684 HydrophobicContact CH2-CG 4.38Å; W592-F684 HydrophobicContact CZ3-CB 4.46Å; W592-F684 HydrophobicContact CZ3-CD1 4.43Å; Y593-F684 HydrophobicContact CD2-CE1 4.45Å; Y593-F684 HydrophobicContact CD2-CE2 4.24Å; Y593-F684 HydrophobicContact CD2-CZ 4.2Å; Y593-F684 HydrophobicContact CE2-CD2 4.35Å; Y593-F684 AromaticContact CE2-CE2 3.78Å; Y593-F684 HydrophobicContact CE2-CE2 3.78Å; Y593-F684 AromaticContact CE2-CZ 3.92Å; Y593-F684 HydrophobicContact CE2-CZ 3.92Å; E596-F684 HydrophobicContact CB-CE1 4.47Å; L600-F684 HydrophobicContact CD1-CE1 3.79Å; L600-F684 HydrophobicContact CD1-CZ 3.62Å; P636-F684 HydrophobicContact CG-CB 3.92Å; P636-F684 WeakPolarHBondContact O-CA 3.49Å; P636-F684 WeakPolarHBondContact O-CB 3.32Å; I638-F684 HydrophobicContact CD1-CB 4.28Å; I638-F684 HydrophobicContact CD1-CD2 4.36Å; I638-F684 HydrophobicContact CD1-CG 4.37Å; F681-F684 CarbonylContact C-O 3.54Å; F681-F684 WeakPolarHBondContact CA-O 3.35Å; F681-F684 HydrophobicContact CB-CD1 4.12Å; F681-F684 HydrophobicContact CB-CD2 3.9Å; F681-F684 HydrophobicContact CB-CE1 3.95Å; F681-F684 HydrophobicContact CB-CE2 3.71Å; F681-F684 HydrophobicContact CB-CG 4.1Å; F681-F684 HydrophobicContact CB-CZ 3.73Å; F681-F684 WeakPolarHBondContact CB-O 3.3Å; F681-F684 AromaticContact CD1-CE2 3.94Å; F681-F684 HydrophobicContact CD1-CE2 3.94Å; F681-F684 AromaticContact CD1-CZ 3.78Å; F681-F684 HydrophobicContact CD1-CZ 3.78Å; F681-F684 AromaticContact CD2-CD2 3.98Å; F681-F684 HydrophobicContact CD2-CD2 3.98Å; F681-F684 AromaticContact CD2-CE2 3.57Å; F681-F684 HydrophobicContact CD2-CE2 3.57Å; F681-F684 HydrophobicContact CD2-CZ 4.25Å; F681-F684 HydrophobicContact CE1-CE2 4.43Å; F681-F684 HydrophobicContact CE1-CZ 4.42Å; F681-F684 HydrophobicContact CE2-CE2 4.16Å; F681-F684 HydrophobicContact CG-CD2 4.03Å; F681-F684 HydrophobicContact CG-CE1 4.38Å; F681-F684 AromaticContact CG-CE2 3.46Å; F681-F684 HydrophobicContact CG-CE2 3.46Å; F681-F684 VanDerWaalsContact CG-CE2 3.46Å; F681-F684 AromaticContact CG-CZ 3.67Å; F681-F684 HydrophobicContact CG-CZ 3.67Å; F681-F684 PolarHBondContact N-O 3.02Å; F681-F684 PolarHBondContact O-N 3.17Å; F684-L686 HydrophobicContact CD2-CD2 4.23Å; F684-L686 HydrophobicContact CD2-CG 4.21Å; F684-L686 HydrophobicContact CE2-CD2 4.05Å; F684-L686 HydrophobicContact CE2-CG 3.9Å
685	I	86.1	Confident	75.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.3	170.9	-67.8	171	0	0	0	109.3	Y559 V571 I635 P636 C637 I638 L679 F680 I687	Y559-I685 HydrophobicContact CD2-CD1 4.46Å; V571-I685 HydrophobicContact CB-CD1 4.32Å; V571-I685 HydrophobicContact CG1-CD1 3.71Å; I635-I685 HydrophobicContact CD1-CD1 4.38Å; I635-I685 HydrophobicContact CG2-CD1 4.03Å; I635-I685 HydrophobicContact CG2-CG1 3.98Å; P636-I685 PolarHBondContact O-N 3.4Å; C637-I685 WeakPolarHBondContact CA-O 3.48Å; I638-I685 PolarHBondContact N-O 2.81Å; L679-I685 CarbonylContact O-C 3.52Å; L679-I685 WeakPolarHBondContact O-CA 3.33Å; F680-I685 HydrophobicContact CD2-CG1 4.12Å; I685-I687 HydrophobicContact CG2-CG1 4.21Å
686	L	80.7	Confident	74.5	Confident	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.3	166.5	-71.9	-174.9	0	0	0	110.4	Y593 F611 I638 L640 L679 F681 F684	Y593-L686 HydrophobicContact CE2-CD2 4.1Å; F611-L686 HydrophobicContact CB-CD1 4.29Å; I638-L686 HydrophobicContact CB-CD2 4.06Å; I638-L686 HydrophobicContact CG2-CD2 4.1Å; L640-L686 HydrophobicContact CD2-CD2 4.42Å; L679-L686 HydrophobicContact CB-CB 4.24Å; L679-L686 PolarHBondContact N-O 3.38Å; L679-L686 PolarHBondContact O-N 3.24Å; F681-L686 HydrophobicContact CD2-CD1 4.42Å; F681-L686 HydrophobicContact CD2-CG 4.12Å; F681-L686 HydrophobicContact CE2-CB 4.03Å; F681-L686 HydrophobicContact CE2-CD1 3.52Å; F681-L686 HydrophobicContact CE2-CG 3.64Å; F681-L686 HydrophobicContact CZ-CD1 3.71Å; F681-L686 HydrophobicContact CZ-CG 4.3Å; F684-L686 HydrophobicContact CD2-CD2 4.23Å; F684-L686 HydrophobicContact CD2-CG 4.21Å; F684-L686 HydrophobicContact CE2-CD2 4.05Å; F684-L686 HydrophobicContact CE2-CG 3.9Å
687	I	78.9	Confident	73.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.7	178.2	-59.9	-179.8	0	0	0	107.8	F621 C637 I638 L640 V643 I675 I685 T691 L693	F621-I687 HydrophobicContact CE1-CD1 3.58Å; F621-I687 HydrophobicContact CZ-CD1 3.4Å; F621-I687 VanDerWaalsContact CZ-CD1 3.4Å; C637-I687 HydrophobicContact CB-CD1 3.82Å; I638-I687 PolarHBondContact O-N 2.87Å; L640-I687 PolarHBondContact N-O 3.08Å; V643-I687 HydrophobicContact CG1-CG2 3.6Å; V643-I687 HydrophobicContact CG2-CG2 4.26Å; I675-I687 HydrophobicContact CD1-CD1 3.73Å; I675-I687 HydrophobicContact CG1-CD1 4.37Å; I675-I687 HydrophobicContact CG2-CD1 4.36Å; I675-I687 HydrophobicContact CG2-CG1 4.39Å; I685-I687 HydrophobicContact CG2-CG1 4.21Å; I687-T691 HydrophobicContact CB-CG2 4.39Å; I687-T691 HydrophobicContact CG1-CG2 4.38Å; I687-T691 HydrophobicContact CG2-CG2 3.75Å; I687-L693 HydrophobicContact CG2-CD1 4.23Å
688	D	68.3	Low	71.8	Confident	34 Å²	34	46.1 Å²	46.1	18%	0.182	22%	0.222	C	C	.	.			trans	-122.1	-177.9	177.9	81.1	11.4	0	0	0	112.4	L640 F690 T691	L640-D688 HydrophobicContact CD1-CB 4.16Å; D688-F690 PolarHBondContact O-N 3.11Å; D688-F690 VanDerWaalsContact O-N 3.1Å; D688-F690 WeakPolarHBondContact OD1-CA 3.41Å; D688-F690 WeakPolarHBondContact OD1-CB 3.33Å; D688-F690 PolarHBondContact OD1-N 2.83Å; D688-T691 PolarHBondContact N-OG1 3.32Å; D688-T691 WeakPolarHBondContact O-CB 3.49Å; D688-T691 PolarHBondContact O-N 3.15Å; D688-T691 VanDerWaalsContact O-N 3.13Å; D688-T691 PolarHBondContact OD1-N 3.26Å; D688-T691 VanDerWaalsContact OD1-N 3.12Å; D688-T691 PolarHBondContact OD1-OG1 3.07Å
689	R	64.3	Low	69.9	Low	125 Å²	125	51.3 Å²	51.3	47%	0.472	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-6.4	179.4	67.1	-178.5	-63.9	153.6	8.2	115.9
690	F	58.6	Low	68.1	Low	142 Å²	142	58.1 Å²	58.1	62%	0.623	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-18.1	176.3	-52.5	-73.5	0	0	0	112.2	D688 L692	D688-F690 PolarHBondContact O-N 3.11Å; D688-F690 VanDerWaalsContact O-N 3.1Å; D688-F690 WeakPolarHBondContact OD1-CA 3.41Å; D688-F690 WeakPolarHBondContact OD1-CB 3.33Å; D688-F690 PolarHBondContact OD1-N 2.83Å; F690-L692 PolarHBondContact O-N 3.36Å
691	T	69.6	Low	66.2	Low	15 Å²	15	62.1 Å²	62.1	9%	0.092	31%	0.308	C	S	.	.	S	Bend	trans	-61.7	128.5	170.3	-53.4	0	0	0	0	110.6	I675 D676 Q677 I687 D688 L693	I675-T691 HydrophobicContact CG2-CG2 3.31Å; D676-T691 WeakPolarHBondContact O-CG2 3.49Å; Q677-T691 PolarHBondContact O-OG1 3.34Å; I687-T691 HydrophobicContact CB-CG2 4.39Å; I687-T691 HydrophobicContact CG1-CG2 4.38Å; I687-T691 HydrophobicContact CG2-CG2 3.75Å; D688-T691 PolarHBondContact N-OG1 3.32Å; D688-T691 WeakPolarHBondContact O-CB 3.49Å; D688-T691 PolarHBondContact O-N 3.15Å; D688-T691 VanDerWaalsContact O-N 3.13Å; D688-T691 PolarHBondContact OD1-N 3.26Å; D688-T691 VanDerWaalsContact OD1-N 3.12Å; D688-T691 PolarHBondContact OD1-OG1 3.07Å; T691-L693 PolarHBondContact O-N 3.41Å
692	L	70.9	Confident	64.3	Low	76 Å²	76	68.1 Å²	68.1	40%	0.398	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	100.3	-175	-179.2	65.4	0	0	0	110.2	D676 F690 K694	D676-L692 HydrophobicContact CB-CB 4.24Å; D676-L692 PolarHBondContact N-O 3.21Å; D676-L692 PolarHBondContact O-N 3.19Å; F690-L692 PolarHBondContact O-N 3.36Å; L692-K694 HydrophobicContact CG-CG 4.47Å
693	L	74.9	Confident	62.8	Low	23 Å²	23	67.8 Å²	67.8	12%	0.12	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.5	171.8	-76.7	161.2	0	0	0	111.1	F621 V643 I644 L649 I673 I675 I687 T691	F621-L693 HydrophobicContact CZ-CD2 4.01Å; V643-L693 HydrophobicContact CG1-CD1 3.66Å; I644-L693 VanDerWaalsContact O-CD1 3.28Å; I644-L693 WeakPolarHBondContact O-CD1 3.2Å; L649-L693 HydrophobicContact CD1-CB 3.81Å; I673-L693 HydrophobicContact CG2-CD2 4.03Å; I675-L693 HydrophobicContact CG1-CD2 3.81Å; I687-L693 HydrophobicContact CG2-CD1 4.23Å; T691-L693 PolarHBondContact O-N 3.41Å
694	K	75.1	Confident	61.1	Low	102 Å²	102	69.2 Å²	69.2	44%	0.443	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	136.1	173.1	-70.6	171.7	177.3	165.7	0	110.6	I673 M674 L692	I673-K694 CarbonylContact C-O 3.59Å; I673-K694 WeakPolarHBondContact CA-O 3.35Å; M674-K694 HydrophobicContact CB-CB 4.39Å; M674-K694 HydrophobicContact CE-CB 4.29Å; M674-K694 HydrophobicContact CE-CD 4.31Å; M674-K694 PolarHBondContact N-O 3.49Å; M674-K694 PolarHBondContact O-N 3.48Å; L692-K694 HydrophobicContact CG-CG 4.47Å
695	T	72.1	Confident	59.2	Low	18 Å²	18	73.1 Å²	73.1	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136	161.9	46.4	0	0	0	0	109	L649 I650 V671 I673	L649-T695 HydrophobicContact CB-CG2 3.98Å; I650-T695 HydrophobicContact CG1-CG2 4.16Å; V671-T695 HydrophobicContact CG1-CG2 3.99Å; I673-T695 HydrophobicContact CG1-CG2 4.3Å
696	E	65.2	Low	57.4	Low	77 Å²	77	77 Å²	77	36%	0.36	40%	0.402	S	S	.	.			trans	-74.6	139.6	172.1	-73.8	-164.6	141	0	0	111.5	Y672 M674 Y698 H701	Y672-E696 HydrophobicContact CD1-CB 4.24Å; Y672-E696 HydrophobicContact CD1-CG 3.84Å; Y672-E696 WeakPolarHBondContact CD1-OE2 3.45Å; Y672-E696 HydrophobicContact CE1-CG 4.28Å; Y672-E696 VanDerWaalsContact CE1-OE2 3.32Å; Y672-E696 WeakPolarHBondContact CE1-OE2 3.38Å; Y672-E696 PolarHBondContact O-N 3.45Å; M674-E696 HydrophobicContact CE-CG 3.76Å; E696-Y698 PolarHBondContact O-N 3.06Å; E696-H701 IonicContact OE2-NE2 2.72Å
697	N	48.8	Very low	55.8	Low	86 Å²	86	78.7 Å²	78.7	46%	0.46	42%	0.415	S	S	.	.			trans	-78.2	109.2	178.9	-95.3	-68	0	0	0	110.1	H653 S699 Q700	H653-N697 PolarHBondContact CD2-ND2 2.81Å; H653-N697 PolarHBondContact CD2-OD1 2.81Å; H653-N697 PolarHBondContact NE2-ND2 3.17Å; H653-N697 VanDerWaalsContact NE2-ND2 3.19Å; N697-S699 PolarHBondContact O-N 3.41Å; N697-Q700 PolarHBondContact O-N 2.88Å; N697-Q700 VanDerWaalsContact O-N 3.07Å
698	Y	46.2	Very low	54.5	Low	74 Å²	74	79.6 Å²	79.6	29%	0.29	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-51.3	-17.8	-179.5	-76.3	-69.3	0	0	0	115.6	G670 V671 E696 Q700 H701 M705 L708	G670-Y698 PolarHBondContact O-OH 2.74Å; V671-Y698 VanDerWaalsContact CA-OH 3.31Å; V671-Y698 WeakPolarHBondContact CA-OH 3.25Å; V671-Y698 HydrophobicContact CG2-CE2 4.34Å; E696-Y698 PolarHBondContact O-N 3.06Å; Y698-Q700 PolarHBondContact O-N 2.93Å; Y698-H701 PolarHBondContact O-N 2.84Å; Y698-M705 HydrophobicContact CD1-CG 4.36Å; Y698-M705 HydrophobicContact CD1-SD 3.7Å; Y698-M705 HydrophobicContact CD2-CE 4.47Å; Y698-M705 HydrophobicContact CD2-SD 4.45Å; Y698-M705 HydrophobicContact CE1-CE 4.14Å; Y698-M705 HydrophobicContact CE1-CG 4.5Å; Y698-M705 HydrophobicContact CE1-SD 3.29Å; Y698-M705 WeakPolarHBondContact CE1-SD 3.4Å; Y698-M705 HydrophobicContact CE2-CE 3.88Å; Y698-M705 HydrophobicContact CE2-SD 4.09Å; Y698-M705 HydrophobicContact CG-SD 4.25Å; Y698-L708 HydrophobicContact CE1-CD2 3.84Å
699	S	37.7	Very low	53.8	Low	108 Å²	108	81.4 Å²	81.4	76%	0.755	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-64.2	-13.4	174.6	52.2	0	0	0	0	114.7	N697	N697-S699 PolarHBondContact O-N 3.41Å
700	Q	36.6	Very low	53.3	Low	175 Å²	175	77.4 Å²	77.4	82%	0.818	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-100.6	-8.4	179.8	-67.8	-171.8	-23.1	0	0	114.8	N697 Y698	N697-Q700 PolarHBondContact O-N 2.88Å; N697-Q700 VanDerWaalsContact O-N 3.07Å; Y698-Q700 PolarHBondContact O-N 2.93Å
701	H	39.3	Very low	53.4	Low	86 Å²	86	73.6 Å²	73.6	40%	0.398	41%	0.405	S	S	.	.			trans	-89.3	127.7	171.5	-82.4	-52.3	0	0	0	111.6	E696 Y698 L703	E696-H701 IonicContact OE2-NE2 2.72Å; Y698-H701 PolarHBondContact O-N 2.84Å; H701-L703 PolarHBondContact O-N 3.09Å
702	S	37.4	Very low	53	Low	131 Å²	131	73.1 Å²	73.1	92%	0.916	40%	0.401	S	S	*	.	S	Bend	trans	-70.4	-9.1	174.1	52.2	0	0	0	0	114.2
703	L	40.9	Very low	52.6	Low	102 Å²	102	69.6 Å²	69.6	53%	0.534	38%	0.383	S	S	.	.	S	Bend	trans	-91.2	123	176.5	-77.4	165	0	0	0	110.2	H701	H701-L703 PolarHBondContact O-N 3.09Å
704	S	45.8	Very low	52.1	Low	76 Å²	76	75.4 Å²	75.4	53%	0.531	41%	0.408	S	S	.	.			trans	-62.4	146.9	179.4	66.8	0	0	0	0	111.6	P706 S707 L708	S704-P706 VanDerWaalsContact C-CD 3.41Å; S704-P706 VanDerWaalsContact C-N 3.3Å; S704-P706 VanDerWaalsContact O-N 3.12Å; S704-S707 PolarHBondContact N-OG 3.23Å; S704-S707 WeakPolarHBondContact O-CA 3.25Å; S704-S707 WeakPolarHBondContact O-CB 3.28Å; S704-S707 PolarHBondContact O-N 3.21Å; S704-S707 PolarHBondContact O-OG 2.87Å; S704-L708 PolarHBondContact O-N 2.87Å; S704-L708 VanDerWaalsContact O-N 3.17Å
705	M	47	Very low	51.7	Low	81 Å²	81	73.8 Å²	73.8	40%	0.399	40%	0.402	S	S	.	.	H	α-helix	trans	-46.6	-41.7	-179.4	-95.1	-69.9	-100.6	0	0	115.3	Y698 S707 L708 K709	Y698-M705 HydrophobicContact CD1-CG 4.36Å; Y698-M705 HydrophobicContact CD1-SD 3.7Å; Y698-M705 HydrophobicContact CD2-CE 4.47Å; Y698-M705 HydrophobicContact CD2-SD 4.45Å; Y698-M705 HydrophobicContact CE1-CE 4.14Å; Y698-M705 HydrophobicContact CE1-CG 4.5Å; Y698-M705 HydrophobicContact CE1-SD 3.29Å; Y698-M705 WeakPolarHBondContact CE1-SD 3.4Å; Y698-M705 HydrophobicContact CE2-CE 3.88Å; Y698-M705 HydrophobicContact CE2-SD 4.09Å; Y698-M705 HydrophobicContact CG-SD 4.25Å; M705-S707 VanDerWaalsContact C-N 3.32Å; M705-S707 PolarHBondContact O-N 3.07Å; M705-L708 PolarHBondContact O-N 3.44Å; M705-K709 WeakPolarHBondContact O-CB 3.36Å; M705-K709 PolarHBondContact O-N 3.39Å
706	P	47.9	Very low	51.3	Low	81 Å²	81	73.2 Å²	73.2	53%	0.526	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-36	173.9	-24.8	35.5	0	0	0	113.8	S704 N710	S704-P706 VanDerWaalsContact C-CD 3.41Å; S704-P706 VanDerWaalsContact C-N 3.3Å; S704-P706 VanDerWaalsContact O-N 3.12Å; P706-N710 WeakPolarHBondContact O-CB 3.44Å; P706-N710 VanDerWaalsContact O-CG 3.26Å; P706-N710 PolarHBondContact O-N 3.49Å
707	S	46.1	Very low	51.3	Low	39 Å²	39	72.7 Å²	72.7	27%	0.273	39%	0.393	S	S	.	.	H	α-helix	trans	-72.4	-39.5	178.6	70.9	0	0	0	0	112.7	S704 M705 N710 S711	S704-S707 PolarHBondContact N-OG 3.23Å; S704-S707 WeakPolarHBondContact O-CA 3.25Å; S704-S707 WeakPolarHBondContact O-CB 3.28Å; S704-S707 PolarHBondContact O-N 3.21Å; S704-S707 PolarHBondContact O-OG 2.87Å; M705-S707 VanDerWaalsContact C-N 3.32Å; M705-S707 PolarHBondContact O-N 3.07Å; S707-N710 PolarHBondContact O-N 2.84Å; S707-S711 WeakPolarHBondContact O-CB 3.41Å; S707-S711 PolarHBondContact O-N 2.68Å
708	L	51.1	Low	52.2	Low	20 Å²	20	73 Å²	73	11%	0.105	40%	0.402	C	S	.	.	H	α-helix	trans	-65.8	-43.4	175	-154.9	82.4	0	0	0	110.7	Y574 Y698 S704 M705 S711 L712	Y574-L708 HydrophobicContact CE1-CD2 4.16Å; Y698-L708 HydrophobicContact CE1-CD2 3.84Å; S704-L708 PolarHBondContact O-N 2.87Å; S704-L708 VanDerWaalsContact O-N 3.17Å; M705-L708 PolarHBondContact O-N 3.44Å; L708-S711 WeakPolarHBondContact O-CB 3.29Å; L708-S711 PolarHBondContact O-N 2.66Å; L708-L712 PolarHBondContact O-N 3.31Å
709	K	54.5	Low	53.4	Low	72 Å²	72	71.6 Å²	71.6	31%	0.313	40%	0.403	S	S	.	.	H	α-helix	trans	-61.7	-47.7	172.2	-74.7	-159.3	172.2	-149.1	0	112.2	F669 M705 S711 L712 S713 M904	F669-K709 WeakPolarHBondContact O-CE 3.39Å; F669-K709 PolarHBondContact O-NZ 3.24Å; M705-K709 WeakPolarHBondContact O-CB 3.36Å; M705-K709 PolarHBondContact O-N 3.39Å; K709-S711 PolarHBondContact O-N 3.43Å; K709-L712 PolarHBondContact O-N 2.89Å; K709-S713 WeakPolarHBondContact O-CB 3.45Å; K709-S713 PolarHBondContact O-N 2.76Å; K709-S713 PolarHBondContact O-OG 3.1Å; K709-M904 HydrophobicContact CB-CE 3.61Å; K709-M904 HydrophobicContact CB-SD 4.44Å; K709-M904 HydrophobicContact CD-CE 4.28Å; K709-M904 HydrophobicContact CD-SD 4.14Å; K709-M904 HydrophobicContact CG-CE 3.97Å; K709-M904 HydrophobicContact CG-SD 4.48Å; K709-M904 WeakPolarHBondContact O-CE 3.36Å
710	N	54.2	Low	55.5	Low	42 Å²	42	69.7 Å²	69.7	23%	0.225	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-21.9	176.1	-80.7	-6.1	0	0	0	113.3	P706 S707 S713 K714 G907	P706-N710 WeakPolarHBondContact O-CB 3.44Å; P706-N710 VanDerWaalsContact O-CG 3.26Å; P706-N710 PolarHBondContact O-N 3.49Å; S707-N710 PolarHBondContact O-N 2.84Å; N710-S713 WeakPolarHBondContact CA-OG 3.49Å; N710-S713 PolarHBondContact O-OG 3.02Å; N710-K714 WeakPolarHBondContact O-CB 3.18Å; N710-K714 VanDerWaalsContact O-CD 3.3Å; N710-K714 WeakPolarHBondContact O-CD 3.44Å; N710-K714 WeakPolarHBondContact O-CG 3.48Å; N710-K714 PolarHBondContact O-N 3.3Å; N710-G907 PolarHBondContact OD1-N 2.87Å
711	S	60.7	Low	57.8	Low	62 Å²	62	64 Å²	64	43%	0.434	35%	0.354	S	S	.	.	H	α-helix	trans	-78.8	-49.8	172.5	-168.9	0	0	0	0	111.3	S707 L708 K709 S713 K714 Q715	S707-S711 WeakPolarHBondContact O-CB 3.41Å; S707-S711 PolarHBondContact O-N 2.68Å; L708-S711 WeakPolarHBondContact O-CB 3.29Å; L708-S711 PolarHBondContact O-N 2.66Å; K709-S711 PolarHBondContact O-N 3.43Å; S711-S713 PolarHBondContact O-N 3.47Å; S711-K714 WeakPolarHBondContact O-CB 3.36Å; S711-K714 PolarHBondContact O-N 2.93Å; S711-Q715 PolarHBondContact O-N 3.11Å
712	L	61	Low	60.1	Low	4 Å²	4	63.4 Å²	63.4	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-37.4	179.9	-166.6	75.2	0	0	0	112.3	Y574 F669 L708 K709 K714 Q715 I716	Y574-L712 VanDerWaalsContact CB-CD2 3.48Å; Y574-L712 HydrophobicContact CD1-CD1 4.11Å; Y574-L712 HydrophobicContact CD1-CD2 3.88Å; Y574-L712 HydrophobicContact CD2-CD1 3.35Å; Y574-L712 HydrophobicContact CD2-CD2 4.42Å; Y574-L712 HydrophobicContact CE1-CD1 4.5Å; Y574-L712 HydrophobicContact CE2-CD1 3.83Å; Y574-L712 HydrophobicContact CG-CD1 3.5Å; Y574-L712 VanDerWaalsContact CG-CD1 3.5Å; Y574-L712 HydrophobicContact CG-CD2 3.68Å; Y574-L712 HydrophobicContact CG-CG 4.23Å; F669-L712 HydrophobicContact CE1-CD2 4.2Å; L708-L712 PolarHBondContact O-N 3.31Å; K709-L712 PolarHBondContact O-N 2.89Å; L712-K714 VanDerWaalsContact C-N 3.35Å; L712-Q715 PolarHBondContact O-N 2.63Å; L712-I716 HydrophobicContact CD2-CD1 4.44Å; L712-I716 HydrophobicContact CG-CD1 4.18Å; L712-I716 PolarHBondContact O-N 2.81Å
713	S	62	Low	62.5	Low	3 Å²	3	57.6 Å²	57.6	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-48	172.2	68.9	0	0	0	0	110	K709 N710 S711 Q715 I716 Y717 N906	K709-S713 WeakPolarHBondContact O-CB 3.45Å; K709-S713 PolarHBondContact O-N 2.76Å; K709-S713 PolarHBondContact O-OG 3.1Å; N710-S713 WeakPolarHBondContact CA-OG 3.49Å; N710-S713 PolarHBondContact O-OG 3.02Å; S711-S713 PolarHBondContact O-N 3.47Å; S713-Q715 VanDerWaalsContact C-N 3.32Å; S713-Q715 PolarHBondContact O-N 2.93Å; S713-I716 PolarHBondContact O-N 3.43Å; S713-Y717 VanDerWaalsContact C-CD2 3.49Å; S713-Y717 VanDerWaalsContact O-CB 3.23Å; S713-Y717 WeakPolarHBondContact O-CB 3.41Å; S713-Y717 WeakPolarHBondContact O-CD2 3.46Å; S713-Y717 PolarHBondContact O-N 3.04Å; S713-N906 PolarHBondContact OG-OD1 2.94Å
714	K	64.8	Low	64.6	Low	144 Å²	144	59.6 Å²	59.6	63%	0.626	32%	0.319	S	S	*	.	H	α-helix	trans	-58	-40.7	176.1	-77.9	173.9	-176.1	-178.3	0	112.8	N710 S711 L712 Y717 S718	N710-K714 WeakPolarHBondContact O-CB 3.18Å; N710-K714 VanDerWaalsContact O-CD 3.3Å; N710-K714 WeakPolarHBondContact O-CD 3.44Å; N710-K714 WeakPolarHBondContact O-CG 3.48Å; N710-K714 PolarHBondContact O-N 3.3Å; S711-K714 WeakPolarHBondContact O-CB 3.36Å; S711-K714 PolarHBondContact O-N 2.93Å; L712-K714 VanDerWaalsContact C-N 3.35Å; K714-Y717 CarbonylContact O-C 3.58Å; K714-S718 VanDerWaalsContact O-CB 3.29Å; K714-S718 WeakPolarHBondContact O-CB 3.24Å; K714-S718 PolarHBondContact O-N 3.14Å; K714-S718 PolarHBondContact O-OG 2.91Å
715	Q	65.6	Low	66.5	Low	68 Å²	68	57.8 Å²	57.8	32%	0.318	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-47.3	176.1	-73.1	179.8	-35.2	0	0	111.9	S711 L712 S713 S718 S719	S711-Q715 PolarHBondContact O-N 3.11Å; L712-Q715 PolarHBondContact O-N 2.63Å; S713-Q715 VanDerWaalsContact C-N 3.32Å; S713-Q715 PolarHBondContact O-N 2.93Å; Q715-S718 WeakPolarHBondContact CA-OG 3.33Å; Q715-S718 PolarHBondContact O-N 3.26Å; Q715-S718 VanDerWaalsContact O-N 3.11Å; Q715-S718 PolarHBondContact O-OG 2.99Å; Q715-S719 WeakPolarHBondContact O-CB 3.4Å; Q715-S719 PolarHBondContact O-N 2.87Å; Q715-S719 PolarHBondContact O-OG 3.02Å
716	I	65.5	Low	68.1	Low	7 Å²	7	57 Å²	57	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-42.4	177.1	-69.9	169.3	0	0	0	110.9	W624 F669 L712 S713 S718 S719 Y720 I737	W624-I716 HydrophobicContact CD2-CD1 4.34Å; W624-I716 HydrophobicContact CD2-CG1 3.86Å; W624-I716 HydrophobicContact CE3-CG1 4.44Å; W624-I716 HydrophobicContact CG-CD1 4.25Å; W624-I716 HydrophobicContact CG-CG1 4.16Å; W624-I716 HydrophobicContact CH2-CG1 4.44Å; W624-I716 HydrophobicContact CZ2-CG1 3.85Å; F669-I716 HydrophobicContact CE1-CD1 3.9Å; F669-I716 HydrophobicContact CZ-CD1 3.52Å; L712-I716 HydrophobicContact CD2-CD1 4.44Å; L712-I716 HydrophobicContact CG-CD1 4.18Å; L712-I716 PolarHBondContact O-N 2.81Å; S713-I716 PolarHBondContact O-N 3.43Å; I716-S718 PolarHBondContact O-N 3.49Å; I716-S718 VanDerWaalsContact O-N 3.16Å; I716-S719 PolarHBondContact O-N 3.43Å; I716-S719 VanDerWaalsContact O-N 3.15Å; I716-Y720 WeakPolarHBondContact O-CD1 3.4Å; I716-Y720 PolarHBondContact O-N 2.77Å; I716-I737 HydrophobicContact CG1-CD1 4.49Å; I716-I737 HydrophobicContact CG2-CD1 3.84Å; I716-I737 HydrophobicContact CG2-CG2 4.39Å
717	Y	64.3	Low	69.8	Low	65 Å²	65	58.9 Å²	58.9	26%	0.255	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.4	172.7	-74.1	-60.8	0	0	0	113.7	S713 K714 Y720 I870	S713-Y717 VanDerWaalsContact C-CD2 3.49Å; S713-Y717 VanDerWaalsContact O-CB 3.23Å; S713-Y717 WeakPolarHBondContact O-CB 3.41Å; S713-Y717 WeakPolarHBondContact O-CD2 3.46Å; S713-Y717 PolarHBondContact O-N 3.04Å; K714-Y717 CarbonylContact O-C 3.58Å; Y717-Y720 HydrophobicContact CD1-CE1 4.14Å; Y717-Y720 WeakPolarHBondContact O-CE1 3.47Å; Y717-I870 HydrophobicContact CD1-CD1 3.39Å; Y717-I870 HydrophobicContact CE1-CD1 3.34Å
718	S	67.1	Low	71.6	Confident	92 Å²	92	59 Å²	59	64%	0.643	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-2.2	174.3	70.1	0	0	0	0	114.3	K714 Q715 I716	K714-S718 VanDerWaalsContact O-CB 3.29Å; K714-S718 WeakPolarHBondContact O-CB 3.24Å; K714-S718 PolarHBondContact O-N 3.14Å; K714-S718 PolarHBondContact O-OG 2.91Å; Q715-S718 WeakPolarHBondContact CA-OG 3.33Å; Q715-S718 PolarHBondContact O-N 3.26Å; Q715-S718 VanDerWaalsContact O-N 3.11Å; Q715-S718 PolarHBondContact O-OG 2.99Å; I716-S718 PolarHBondContact O-N 3.49Å; I716-S718 VanDerWaalsContact O-N 3.16Å
719	S	72.3	Confident	73.2	Confident	46 Å²	46	58.2 Å²	58.2	32%	0.322	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	4.5	-169.7	-57.4	0	0	0	0	114.5	T632 Q715 I716	T632-S719 VanDerWaalsContact OG1-CB 3.31Å; T632-S719 WeakPolarHBondContact OG1-CB 3.4Å; T632-S719 PolarHBondContact OG1-OG 2.82Å; Q715-S719 WeakPolarHBondContact O-CB 3.4Å; Q715-S719 PolarHBondContact O-N 2.87Å; Q715-S719 PolarHBondContact O-OG 3.02Å; I716-S719 PolarHBondContact O-N 3.43Å; I716-S719 VanDerWaalsContact O-N 3.15Å
720	Y	80.7	Confident	74.4	Confident	68 Å²	68	59.9 Å²	59.9	27%	0.267	31%	0.311	S	S	.	.	S	Bend	trans	-79	156	172.9	63.6	-106.6	0	0	0	111.9	I716 Y717 L722 I737 I870	I716-Y720 WeakPolarHBondContact O-CD1 3.4Å; I716-Y720 PolarHBondContact O-N 2.77Å; Y717-Y720 HydrophobicContact CD1-CE1 4.14Å; Y717-Y720 WeakPolarHBondContact O-CE1 3.47Å; Y720-L722 HydrophobicContact CD2-CB 4.38Å; Y720-L722 HydrophobicContact CE2-CB 4Å; Y720-L722 HydrophobicContact CE2-CD1 4.1Å; Y720-I737 WeakPolarHBondContact CA-O 3.36Å; Y720-I870 HydrophobicContact CD1-CD1 3.84Å; Y720-I870 HydrophobicContact CE1-CD1 3.87Å
721	I	85.6	Confident	75.9	Confident	55 Å²	55	63.6 Å²	63.6	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.3	167.5	-61.9	172.9	0	0	0	108.4	L723 L732 Q736 I737 V738 S739	I721-L723 HydrophobicContact CG2-CD2 4.37Å; I721-L732 HydrophobicContact CD1-CD2 4.42Å; I721-Q736 HydrophobicContact CD1-CB 4.44Å; I721-Q736 VanDerWaalsContact CD1-CD 3.5Å; I721-Q736 HydrophobicContact CD1-CG 4.41Å; I721-I737 PolarHBondContact N-O 2.99Å; I721-V738 CarbonylContact O-C 3.52Å; I721-V738 VanDerWaalsContact O-CA 3.26Å; I721-V738 WeakPolarHBondContact O-CA 3.36Å; I721-S739 PolarHBondContact O-N 3.09Å
722	L	87.9	Confident	77.1	Confident	73 Å²	73	61.5 Å²	61.5	38%	0.382	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	121	173.7	-172.3	61.9	0	0	0	109	Y720 Q724	Y720-L722 HydrophobicContact CD2-CB 4.38Å; Y720-L722 HydrophobicContact CE2-CB 4Å; Y720-L722 HydrophobicContact CE2-CD1 4.1Å; L722-Q724 HydrophobicContact CB-CG 4.35Å; L722-Q724 HydrophobicContact CD2-CG 3.74Å; L722-Q724 HydrophobicContact CG-CG 3.67Å; L722-Q724 PolarHBondContact O-N 2.88Å
723	L	88.1	Confident	78.3	Confident	10 Å²	10	69.9 Å²	69.9	5%	0.052	34%	0.341	C	S	.	.			trans	-81.4	98	177.1	-61	179.6	0	0	0	109.7	I721 D728 V729 L732 V738 S739 F740 I809 F811 L830	I721-L723 HydrophobicContact CG2-CD2 4.37Å; L723-D728 HydrophobicContact CD2-CB 3.88Å; L723-V729 HydrophobicContact CD1-CG2 4.47Å; L723-V729 HydrophobicContact CD2-CG2 4.13Å; L723-L732 HydrophobicContact CD1-CD1 4.39Å; L723-L732 HydrophobicContact CD2-CD1 4.08Å; L723-L732 HydrophobicContact CD2-CD2 4.1Å; L723-L732 HydrophobicContact CD2-CG 4.22Å; L723-V738 HydrophobicContact CD1-CB 4.43Å; L723-V738 HydrophobicContact CG-CB 4.49Å; L723-S739 PolarHBondContact N-O 2.97Å; L723-F740 HydrophobicContact CB-CB 4.21Å; L723-F740 HydrophobicContact CD1-CB 4.34Å; L723-F740 HydrophobicContact CD1-CD1 4.24Å; L723-I809 HydrophobicContact CD1-CD1 4.03Å; L723-F811 HydrophobicContact CB-CE1 4.46Å; L723-L830 HydrophobicContact CD1-CD1 4.34Å
724	Q	85.4	Confident	79.5	Confident	143 Å²	143	71.7 Å²	71.7	67%	0.668	35%	0.352	S	S	*	.			trans	-109.5	-16.7	177.1	-55.3	-161	-79.1	0	0	112.9	L722 D728 F811	L722-Q724 HydrophobicContact CB-CG 4.35Å; L722-Q724 HydrophobicContact CD2-CG 3.74Å; L722-Q724 HydrophobicContact CG-CG 3.67Å; L722-Q724 PolarHBondContact O-N 2.88Å; Q724-D728 PolarHBondContact N-OD2 3.32Å; Q724-D728 VanDerWaalsContact N-OD2 3.17Å; Q724-F811 WeakPolarHBondContact O-CD1 3.2Å
725	S	84.1	Confident	80.6	Confident	39 Å²	39	65.7 Å²	65.7	27%	0.273	33%	0.326	S	S	.	.	S	Bend	trans	-143.2	162.4	-177.6	73.1	0	0	0	0	112.8	E727 D728 V729 F811	S725-E727 PolarHBondContact O-N 3.44Å; S725-E727 PolarHBondContact OG-N 3.01Å; S725-D728 WeakPolarHBondContact CB-OD2 3.43Å; S725-D728 PolarHBondContact N-OD2 3.3Å; S725-D728 PolarHBondContact O-N 3.06Å; S725-D728 PolarHBondContact OG-N 2.85Å; S725-D728 VanDerWaalsContact OG-N 3.17Å; S725-D728 PolarHBondContact OG-OD2 3.38Å; S725-V729 PolarHBondContact O-N 3.27Å; S725-F811 WeakPolarHBondContact O-CZ 3.42Å
726	L	81.3	Confident	81.7	Confident	63 Å²	63	64.9 Å²	64.9	33%	0.33	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-24.6	168.3	-174	63.9	0	0	0	112.2	V729 N730 F811 V828	L726-V729 PolarHBondContact O-N 2.9Å; L726-N730 WeakPolarHBondContact O-CB 3.29Å; L726-N730 VanDerWaalsContact O-CG 3.23Å; L726-N730 PolarHBondContact O-N 3.43Å; L726-N730 PolarHBondContact O-ND2 2.93Å; L726-N730 VanDerWaalsContact O-ND2 3.13Å; L726-F811 HydrophobicContact CB-CD2 4.27Å; L726-F811 HydrophobicContact CB-CE2 4.2Å; L726-V828 HydrophobicContact CD1-CG2 3.51Å
727	E	82.5	Confident	82.7	Confident	122 Å²	122	64.9 Å²	64.9	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-72.2	-31.5	177.2	-150.8	-169	139.1	0	0	112	S725 N730 K731	S725-E727 PolarHBondContact O-N 3.44Å; S725-E727 PolarHBondContact OG-N 3.01Å; E727-N730 PolarHBondContact O-N 3.02Å; E727-K731 VanDerWaalsContact CD-NZ 3.29Å; E727-K731 WeakPolarHBondContact O-CD 3.32Å; E727-K731 VanDerWaalsContact O-CG 3.26Å; E727-K731 WeakPolarHBondContact O-CG 3.27Å; E727-K731 PolarHBondContact O-N 3Å; E727-K731 WeakPolarHBondContact OE1-CE 3.29Å; E727-K731 IonicContact OE1-NZ 2.79Å; E727-K731 PolarHBondContact OE1-NZ 2.89Å
728	D	85.2	Confident	84	Confident	40 Å²	40	61.9 Å²	61.9	21%	0.214	31%	0.31	C	S	.	.	H	α-helix	trans	-67	-44.8	173	-53.3	-51.2	0	0	0	110.5	L723 Q724 S725 N730 K731 L732	L723-D728 HydrophobicContact CD2-CB 3.88Å; Q724-D728 PolarHBondContact N-OD2 3.32Å; Q724-D728 VanDerWaalsContact N-OD2 3.17Å; S725-D728 WeakPolarHBondContact CB-OD2 3.43Å; S725-D728 PolarHBondContact N-OD2 3.3Å; S725-D728 PolarHBondContact O-N 3.06Å; S725-D728 PolarHBondContact OG-N 2.85Å; S725-D728 VanDerWaalsContact OG-N 3.17Å; S725-D728 PolarHBondContact OG-OD2 3.38Å; D728-N730 VanDerWaalsContact C-N 3.32Å; D728-N730 PolarHBondContact O-N 3.2Å; D728-K731 PolarHBondContact O-N 3.25Å; D728-L732 PolarHBondContact O-N 2.92Å
729	V	84	Confident	85.1	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.024	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-44.1	175.4	177.5	0	0	0	0	111.2	L723 S725 L726 K731 L732 F811 V828 V880 I896	L723-V729 HydrophobicContact CD1-CG2 4.47Å; L723-V729 HydrophobicContact CD2-CG2 4.13Å; S725-V729 PolarHBondContact O-N 3.27Å; L726-V729 PolarHBondContact O-N 2.9Å; V729-K731 PolarHBondContact O-N 2.9Å; V729-L732 WeakPolarHBondContact O-CB 3.5Å; V729-L732 PolarHBondContact O-N 3.26Å; V729-F811 HydrophobicContact CG2-CE2 4.21Å; V729-F811 HydrophobicContact CG2-CZ 3.69Å; V729-V828 HydrophobicContact CG1-CG1 4.16Å; V729-V828 HydrophobicContact CG1-CG2 4.32Å; V729-V828 HydrophobicContact CG2-CG1 4.48Å; V729-V828 HydrophobicContact CG2-CG2 4.3Å; V729-V880 HydrophobicContact CG1-CG1 4.26Å; V729-I896 HydrophobicContact CG1-CD1 3.56Å
730	N	79.9	Confident	86.1	Confident	108 Å²	108	55.5 Å²	55.5	58%	0.578	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-13.9	177.5	-71.5	-29.8	0	0	0	114.1	L726 E727 D728	L726-N730 WeakPolarHBondContact O-CB 3.29Å; L726-N730 VanDerWaalsContact O-CG 3.23Å; L726-N730 PolarHBondContact O-N 3.43Å; L726-N730 PolarHBondContact O-ND2 2.93Å; L726-N730 VanDerWaalsContact O-ND2 3.13Å; E727-N730 PolarHBondContact O-N 3.02Å; D728-N730 VanDerWaalsContact C-N 3.32Å; D728-N730 PolarHBondContact O-N 3.2Å
731	K	85.2	Confident	86.6	Confident	120 Å²	120	54.8 Å²	54.8	52%	0.522	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-5.4	176.7	-70.8	165.1	-173.4	161.8	0	113.5	E727 D728 V729	E727-K731 VanDerWaalsContact CD-NZ 3.29Å; E727-K731 WeakPolarHBondContact O-CD 3.32Å; E727-K731 VanDerWaalsContact O-CG 3.26Å; E727-K731 WeakPolarHBondContact O-CG 3.27Å; E727-K731 PolarHBondContact O-N 3Å; E727-K731 WeakPolarHBondContact OE1-CE 3.29Å; E727-K731 IonicContact OE1-NZ 2.79Å; E727-K731 PolarHBondContact OE1-NZ 2.89Å; D728-K731 PolarHBondContact O-N 3.25Å; V729-K731 PolarHBondContact O-N 2.9Å
732	L	86.6	Confident	86.9	Confident	17 Å²	17	52.3 Å²	52.3	9%	0.089	26%	0.258	C	S	.	.			trans	-60.5	149.3	-178.1	-75.5	177	0	0	0	112.8	I721 L723 D728 V729 V738 V873 I876 I896	I721-L732 HydrophobicContact CD1-CD2 4.42Å; L723-L732 HydrophobicContact CD1-CD1 4.39Å; L723-L732 HydrophobicContact CD2-CD1 4.08Å; L723-L732 HydrophobicContact CD2-CD2 4.1Å; L723-L732 HydrophobicContact CD2-CG 4.22Å; D728-L732 PolarHBondContact O-N 2.92Å; V729-L732 WeakPolarHBondContact O-CB 3.5Å; V729-L732 PolarHBondContact O-N 3.26Å; L732-V738 HydrophobicContact CD2-CG1 3.44Å; L732-V738 VanDerWaalsContact CD2-CG1 3.44Å; L732-V873 HydrophobicContact CD1-CG2 4.5Å; L732-V873 HydrophobicContact CD2-CG2 4.47Å; L732-I876 HydrophobicContact CB-CD1 3.77Å; L732-I876 WeakPolarHBondContact O-CD1 3.18Å; L732-I896 HydrophobicContact CD1-CD1 4.21Å
733	R	85.9	Confident	87.1	Confident	180 Å²	180	50.5 Å²	50.5	68%	0.679	25%	0.25	S	S	*	.			trans	-129.2	152.9	172.4	-54.9	-177.8	-178.3	-175	-0.6	109.6	Q736	R733-Q736 HydrophobicContact CB-CG 4.09Å; R733-Q736 PolarHBondContact O-N 3.42Å
734	V	87.6	Confident	87.3	Confident	42 Å²	42	50 Å²	50	26%	0.255	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	143.5	171.2	-156.1	0	0	0	0	109.2	W592 Q736 V874 I876	W592-V734 HydrophobicContact CG-CG1 4.43Å; V734-Q736 VanDerWaalsContact C-N 3.32Å; V734-Q736 PolarHBondContact O-N 3.49Å; V734-V874 WeakPolarHBondContact CG1-O 3.43Å; V734-I876 HydrophobicContact CG2-CD1 4.45Å; V734-I876 HydrophobicContact CG2-CG1 4.45Å
735	H	87.9	Confident	87.5	Confident	18 Å²	18	45.8 Å²	45.8	8%	0.083	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	23.4	-175.5	-38.6	-51.3	0	0	0	115.5	W592 Y622 L634 V873	W592-H735 AromaticContact CD2-CE1 3.79Å; W592-H735 AromaticContact CD2-NE2 3.38Å; W592-H735 AromaticContact CE2-NE2 3.16Å; W592-H735 AromaticContact CE3-CE1 3.75Å; W592-H735 AromaticContact CE3-NE2 3.49Å; W592-H735 AromaticContact CH2-CD2 3.97Å; W592-H735 AromaticContact CH2-NE2 3.23Å; W592-H735 WeakPolarHBondContact CH2-NE2 3.32Å; W592-H735 AromaticContact CZ2-CD2 3.85Å; W592-H735 AromaticContact CZ2-NE2 3.12Å; W592-H735 WeakPolarHBondContact CZ2-NE2 3.43Å; W592-H735 AromaticContact CZ3-CE1 3.94Å; W592-H735 AromaticContact CZ3-NE2 3.41Å; W592-H735 WeakPolarHBondContact CZ3-NE2 3.39Å; W592-H735 AromaticContact NE1-NE2 3.86Å; Y622-H735 HydrophobicContact CE1-CB 4.22Å; Y622-H735 AromaticContact CE1-CG 3.96Å; Y622-H735 AromaticContact CE1-ND1 3.45Å; Y622-H735 WeakPolarHBondContact CE1-ND1 3.43Å; Y622-H735 AromaticContact CZ-ND1 3.64Å; Y622-H735 PolarHBondContact OH-CE1 3.42Å; Y622-H735 VanDerWaalsContact OH-CE1 3.29Å; Y622-H735 PolarHBondContact OH-ND1 3.39Å; L634-H735 WeakPolarHBondContact CD2-O 3.46Å; H735-V873 WeakPolarHBondContact CA-O 3.12Å; H735-V873 PolarHBondContact N-O 3.36Å
736	Q	87.8	Confident	87.8	Confident	50 Å²	50	50.4 Å²	50.4	23%	0.234	24%	0.241	C	C	.	.			trans	-87.7	147.4	163.3	-69.8	-179.5	-35.2	0	0	111.4	I721 R733 V734 V873	I721-Q736 HydrophobicContact CD1-CB 4.44Å; I721-Q736 VanDerWaalsContact CD1-CD 3.5Å; I721-Q736 HydrophobicContact CD1-CG 4.41Å; R733-Q736 HydrophobicContact CB-CG 4.09Å; R733-Q736 PolarHBondContact O-N 3.42Å; V734-Q736 VanDerWaalsContact C-N 3.32Å; V734-Q736 PolarHBondContact O-N 3.49Å; Q736-V873 PolarHBondContact O-N 2.94Å
737	I	88	Confident	88	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129	165.9	-56	-173.3	0	0	0	108.3	W624 L634 I716 Y720 I721 I870 G871 I872 L901	W624-I737 HydrophobicContact CE3-CD1 3.74Å; W624-I737 HydrophobicContact CH2-CD1 4.06Å; W624-I737 HydrophobicContact CZ3-CD1 3.4Å; W624-I737 HydrophobicContact CZ3-CG1 3.99Å; L634-I737 HydrophobicContact CD1-CD1 4.38Å; L634-I737 HydrophobicContact CD2-CG1 4.1Å; I716-I737 HydrophobicContact CG1-CD1 4.49Å; I716-I737 HydrophobicContact CG2-CD1 3.84Å; I716-I737 HydrophobicContact CG2-CG2 4.39Å; Y720-I737 WeakPolarHBondContact CA-O 3.36Å; I721-I737 PolarHBondContact N-O 2.99Å; I737-I870 HydrophobicContact CG2-CG2 3.57Å; I737-G871 WeakPolarHBondContact CA-O 3.19Å; I737-I872 HydrophobicContact CG1-CG1 4.49Å; I737-L901 HydrophobicContact CD1-CD1 4.26Å; I737-L901 HydrophobicContact CG2-CD1 4.44Å
738	V	90.8	Very high	88.1	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.9	177.4	-63.7	0	0	0	0	111.2	I721 L723 L732 F740 I870 G871 V873 V898	I721-V738 CarbonylContact O-C 3.52Å; I721-V738 VanDerWaalsContact O-CA 3.26Å; I721-V738 WeakPolarHBondContact O-CA 3.36Å; L723-V738 HydrophobicContact CD1-CB 4.43Å; L723-V738 HydrophobicContact CG-CB 4.49Å; L732-V738 HydrophobicContact CD2-CG1 3.44Å; L732-V738 VanDerWaalsContact CD2-CG1 3.44Å; V738-F740 HydrophobicContact CG2-CD1 4.16Å; V738-F740 HydrophobicContact CG2-CE1 4.19Å; V738-I870 VanDerWaalsContact O-CA 3.29Å; V738-I870 WeakPolarHBondContact O-CA 3.33Å; V738-G871 PolarHBondContact N-O 3.38Å; V738-G871 PolarHBondContact O-N 3.5Å; V738-V873 HydrophobicContact CB-CG2 4.46Å; V738-V873 HydrophobicContact CG1-CG2 3.61Å; V738-V873 HydrophobicContact CG2-CG2 3.95Å; V738-V898 HydrophobicContact CG2-CG1 4.07Å; V738-V898 HydrophobicContact CG2-CG2 4.42Å
739	S	91.2	Very high	87.8	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.8	161.8	178.4	0	0	0	0	110.2	I721 L723 N868 V869	I721-S739 PolarHBondContact O-N 3.09Å; L723-S739 PolarHBondContact N-O 2.97Å; S739-N868 PolarHBondContact OG-OD1 3.38Å; S739-V869 VanDerWaalsContact CA-O 3.26Å; S739-V869 WeakPolarHBondContact CA-O 3.25Å
740	F	91.8	Very high	87.4	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.4	172.1	58	-89.4	0	0	0	112	L723 V738 V807 I809 L830 L832 N868 V869 V898	L723-F740 HydrophobicContact CB-CB 4.21Å; L723-F740 HydrophobicContact CD1-CB 4.34Å; L723-F740 HydrophobicContact CD1-CD1 4.24Å; V738-F740 HydrophobicContact CG2-CD1 4.16Å; V738-F740 HydrophobicContact CG2-CE1 4.19Å; F740-V807 HydrophobicContact CE2-CG1 4.16Å; F740-I809 HydrophobicContact CB-CD1 3.59Å; F740-I809 HydrophobicContact CB-CG1 4.33Å; F740-I809 HydrophobicContact CD1-CD1 4.35Å; F740-I809 HydrophobicContact CD2-CD1 3.72Å; F740-I809 HydrophobicContact CD2-CG1 3.95Å; F740-I809 HydrophobicContact CE2-CD1 4.46Å; F740-I809 HydrophobicContact CG-CD1 3.65Å; F740-I809 HydrophobicContact CG-CG1 4.35Å; F740-L830 HydrophobicContact CD1-CD1 4.01Å; F740-L830 HydrophobicContact CD2-CD1 4.37Å; F740-L830 HydrophobicContact CE1-CD1 3.7Å; F740-L830 HydrophobicContact CE2-CD1 4.08Å; F740-L830 HydrophobicContact CG-CD1 4.34Å; F740-L830 HydrophobicContact CZ-CD1 3.72Å; F740-L832 HydrophobicContact CZ-CD1 4.2Å; F740-L832 HydrophobicContact CZ-CD2 4.49Å; F740-N868 CarbonylContact O-C 3.59Å; F740-N868 WeakPolarHBondContact O-CA 3.4Å; F740-N868 PolarHBondContact O-N 2.76Å; F740-V869 HydrophobicContact CD1-CB 4.49Å; F740-V869 HydrophobicContact CD2-CB 4.1Å; F740-V869 HydrophobicContact CD2-CG2 4.42Å; F740-V869 HydrophobicContact CE1-CB 4.19Å; F740-V869 HydrophobicContact CE1-CG1 3.97Å; F740-V869 HydrophobicContact CE2-CB 3.78Å; F740-V869 HydrophobicContact CE2-CG1 4Å; F740-V869 HydrophobicContact CE2-CG2 4.01Å; F740-V869 HydrophobicContact CG-CB 4.45Å; F740-V869 HydrophobicContact CZ-CB 3.83Å; F740-V869 HydrophobicContact CZ-CG1 3.58Å; F740-V869 HydrophobicContact CZ-CG2 4.44Å; F740-V869 PolarHBondContact N-O 3.01Å; F740-V869 PolarHBondContact O-N 3.4Å; F740-V898 HydrophobicContact CE1-CG1 4.27Å; F740-V898 HydrophobicContact CE1-CG2 4.46Å
741	S	91.9	Very high	87.4	Confident	52 Å²	52	42.9 Å²	42.9	36%	0.364	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.5	158.6	-67.1	0	0	0	0	109.2	L866 N868	S741-L866 VanDerWaalsContact CA-O 3.28Å; S741-L866 WeakPolarHBondContact CA-O 3.22Å; S741-N868 PolarHBondContact OG-N 3.4Å
742	G	92	Very high	87.2	Confident	3 Å²	3	37.2 Å²	37.2	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	174.6	-178.2	0	0	0	0	0	112.5	L808 H865 L866	G742-L808 CarbonylContact C-O 3.6Å; G742-L808 WeakPolarHBondContact CA-O 3.4Å; G742-H865 PolarHBondContact O-ND1 3.3Å; G742-L866 PolarHBondContact N-O 3Å; G742-L866 WeakPolarHBondContact O-CB 3.4Å; G742-L866 PolarHBondContact O-N 2.87Å
743	T	92.6	Very high	86.8	Confident	35 Å²	35	36.7 Å²	36.7	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.9	-179.3	-61.7	0	0	0	0	110.4	I745 V807 L808 H865	T743-I745 PolarHBondContact O-N 3.3Å; T743-V807 WeakPolarHBondContact O-CA 3.28Å; T743-L808 PolarHBondContact N-O 3.44Å; T743-L808 PolarHBondContact O-N 2.86Å; T743-H865 PolarHBondContact OG1-ND1 2.73Å
744	L	91.9	Very high	86.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	115.1	177.1	-163.3	168	0	0	0	109.1	R746 V747 V805 M834 L861 N863 R864 L866	L744-R746 WeakPolarHBondContact CD2-O 3.35Å; L744-V747 HydrophobicContact CD2-CG2 4.18Å; L744-V805 HydrophobicContact CD1-CB 4.21Å; L744-V805 HydrophobicContact CD1-CG1 4.13Å; L744-V805 HydrophobicContact CD1-CG2 4.21Å; L744-V805 HydrophobicContact CD2-CB 4.24Å; L744-V805 HydrophobicContact CD2-CG1 4.49Å; L744-V805 HydrophobicContact CG-CB 4.03Å; L744-V805 HydrophobicContact CG-CG1 4.42Å; L744-V805 HydrophobicContact CG-CG2 4.16Å; L744-M834 HydrophobicContact CD1-CE 3.49Å; L744-M834 VanDerWaalsContact CD1-CE 3.49Å; L744-L861 HydrophobicContact CD1-CB 4Å; L744-L861 HydrophobicContact CD2-CB 4.38Å; L744-N863 PolarHBondContact O-N 3.2Å; L744-R864 PolarHBondContact N-O 3.09Å; L744-L866 HydrophobicContact CB-CD1 4.19Å; L744-L866 HydrophobicContact CB-CD2 4.49Å; L744-L866 HydrophobicContact CB-CG 4.35Å; L744-L866 HydrophobicContact CD1-CD2 4.42Å
745	I	90.6	Very high	86	Confident	55 Å²	55	28.3 Å²	28.3	28%	0.282	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-26.1	-176.7	57.8	167.5	0	0	0	113.3	T743 Q806 L808 E829	T743-I745 PolarHBondContact O-N 3.3Å; I745-Q806 HydrophobicContact CD1-CB 4.2Å; I745-Q806 HydrophobicContact CG1-CB 3.81Å; I745-Q806 WeakPolarHBondContact CG1-O 3.33Å; I745-Q806 PolarHBondContact N-O 2.83Å; I745-L808 HydrophobicContact CD1-CB 4.41Å; I745-L808 HydrophobicContact CG2-CB 3.73Å; I745-L808 HydrophobicContact CG2-CD2 4.49Å; I745-E829 HydrophobicContact CD1-CG 3.94Å
746	R	89.4	Confident	85.4	Confident	135 Å²	135	28.1 Å²	28.1	51%	0.509	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.4	-179.4	-165.6	-169	176.5	-173.4	-5	111.2	L744 V805 Q806	L744-R746 WeakPolarHBondContact CD2-O 3.35Å; R746-V805 CarbonylContact O-C 3.57Å; R746-V805 VanDerWaalsContact O-CA 3.31Å; R746-V805 WeakPolarHBondContact O-CA 3.38Å; R746-V805 WeakPolarHBondContact O-CB 3.37Å; R746-Q806 HydrophobicContact CB-CB 4.08Å; R746-Q806 HydrophobicContact CB-CG 4.28Å; R746-Q806 PolarHBondContact O-N 3.25Å
747	V	85.7	Confident	84.7	Confident	11 Å²	11	25.7 Å²	25.7	7%	0.067	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.9	162.6	-178	0	0	0	0	108.2	L744 T749 L803 V805 A858 L861	L744-V747 HydrophobicContact CD2-CG2 4.18Å; V747-T749 HydrophobicContact CG1-CG2 4.47Å; V747-T749 PolarHBondContact O-N 3.08Å; V747-L803 HydrophobicContact CG1-CD1 3.82Å; V747-V805 HydrophobicContact CB-CG1 4.42Å; V747-V805 HydrophobicContact CG1-CG1 4.32Å; V747-V805 HydrophobicContact CG2-CG1 4.08Å; V747-A858 HydrophobicContact CB-CB 4Å; V747-A858 HydrophobicContact CG2-CB 4.04Å; V747-L861 HydrophobicContact CG2-CB 4.12Å; V747-L861 HydrophobicContact CG2-CD1 3.99Å
748	D	84.6	Confident	83.9	Confident	31 Å²	31	25.3 Å²	25.3	17%	0.166	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	97.2	169.5	-170.5	-35.9	0	0	0	109	S750 R751 S752 E804	D748-S750 PolarHBondContact O-N 2.66Å; D748-S750 WeakPolarHBondContact OD1-CA 3.43Å; D748-S750 WeakPolarHBondContact OD1-CB 3.46Å; D748-S750 PolarHBondContact OD1-N 2.82Å; D748-S750 PolarHBondContact OD1-OG 2.82Å; D748-R751 HydrophobicContact CB-CB 4.42Å; D748-R751 PolarHBondContact OD1-N 3.27Å; D748-S752 WeakPolarHBondContact O-CB 3.5Å; D748-S752 PolarHBondContact O-N 3.36Å; D748-S752 PolarHBondContact O-OG 3.45Å; D748-E804 HydrophobicContact CB-CB 4.37Å; D748-E804 PolarHBondContact N-O 3.21Å
749	T	78.2	Confident	82.8	Confident	45 Å²	45	26.6 Å²	26.6	28%	0.276	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-13.8	178.8	49.4	0	0	0	0	114.2	V19 I21 V747 A858	V19-T749 WeakPolarHBondContact O-CB 3.46Å; V19-T749 WeakPolarHBondContact O-CG2 3.17Å; I21-T749 HydrophobicContact CD1-CG2 4.26Å; I21-T749 HydrophobicContact CG1-CG2 4.18Å; V747-T749 HydrophobicContact CG1-CG2 4.47Å; V747-T749 PolarHBondContact O-N 3.08Å; T749-A858 HydrophobicContact CG2-CB 4.4Å
750	S	76.2	Confident	81.6	Confident	79 Å²	79	31.9 Å²	31.9	55%	0.552	17%	0.167	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	-33.8	177.2	78.5	0	0	0	0	112.2	D748	D748-S750 PolarHBondContact O-N 2.66Å; D748-S750 WeakPolarHBondContact OD1-CA 3.43Å; D748-S750 WeakPolarHBondContact OD1-CB 3.46Å; D748-S750 PolarHBondContact OD1-N 2.82Å; D748-S750 PolarHBondContact OD1-OG 2.82Å
751	R	80.1	Confident	80.3	Confident	14 Å²	14	32 Å²	32	5%	0.053	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-26.6	177.3	-62.6	-177.5	53.9	107.6	16.4	112.6	L584 D748 H753 E804 Y892	L584-R751 HydrophobicContact CD1-CB 4.23Å; L584-R751 WeakPolarHBondContact CD1-O 3.11Å; D748-R751 HydrophobicContact CB-CB 4.42Å; D748-R751 PolarHBondContact OD1-N 3.27Å; R751-H753 PolarHBondContact O-N 2.78Å; R751-H753 PolarHBondContact O-ND1 3.02Å; R751-E804 HydrophobicContact CB-CB 4.2Å; R751-E804 VanDerWaalsContact CD-OE1 3.23Å; R751-E804 WeakPolarHBondContact CD-OE1 3.48Å; R751-E804 IonicContact CZ-OE1 3.47Å; R751-E804 IonicContact CZ-OE2 3.89Å; R751-E804 IonicContact NE-OE1 3.69Å; R751-E804 PolarHBondContact NE-OE1 2.7Å; R751-E804 IonicContact NE-OE2 3.4Å; R751-E804 PolarHBondContact NE-OE2 3.14Å; R751-E804 IonicContact NH2-OE2 2.97Å; R751-E804 PolarHBondContact NH2-OE2 3.04Å; R751-E804 VanDerWaalsContact NH2-OE2 3.13Å; R751-Y892 WeakPolarHBondContact CG-OH 3.33Å
752	S	81	Confident	79.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.1	172.6	-61.2	0	0	0	0	111.9	D748 E802 E804	D748-S752 WeakPolarHBondContact O-CB 3.5Å; D748-S752 PolarHBondContact O-N 3.36Å; D748-S752 PolarHBondContact O-OG 3.45Å; S752-E802 CarbonylContact C-O 3.52Å; S752-E802 VanDerWaalsContact CA-O 3.27Å; S752-E802 WeakPolarHBondContact CA-O 3.31Å; S752-E804 PolarHBondContact OG-N 3.04Å; S752-E804 PolarHBondContact OG-O 2.87Å
753	H	78.8	Confident	78.1	Confident	6 Å²	6	30 Å²	30	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	156.6	-175.4	67.1	-72.6	0	0	0	113.7	K17 R751 W755 E802	K17-H753 WeakPolarHBondContact O-CA 3.29Å; R751-H753 PolarHBondContact O-N 2.78Å; R751-H753 PolarHBondContact O-ND1 3.02Å; H753-W755 AromaticContact CD2-CE3 3.61Å; H753-W755 AromaticContact NE2-CD2 3.96Å; H753-W755 AromaticContact NE2-CE3 3.54Å; H753-W755 AromaticContact NE2-CZ3 3.77Å; H753-E802 IonicContact CE1-OE2 2.81Å; H753-E802 PolarHBondContact N-O 2.89Å; H753-E802 PolarHBondContact O-N 3Å
754	V	76.9	Confident	77.3	Confident	30 Å²	30	29.4 Å²	29.4	18%	0.182	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135	170	178	0	0	0	0	109.1	K17 Q799 R800 L801 L851	K17-V754 PolarHBondContact O-N 2.76Å; V754-Q799 HydrophobicContact CG1-CB 4.12Å; V754-R800 VanDerWaalsContact CA-O 3.32Å; V754-R800 WeakPolarHBondContact CA-O 3.3Å; V754-R800 WeakPolarHBondContact CG1-O 3.27Å; V754-L801 HydrophobicContact CG2-CB 4.28Å; V754-L801 HydrophobicContact CG2-CD1 3.63Å; V754-L851 HydrophobicContact CG1-CD2 4.37Å
755	W	78.3	Confident	76.5	Confident	17 Å²	17	33.5 Å²	33.5	6%	0.064	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	149	175.4	77.8	114.3	0	0	0	112.6	A580 E581 H753 Q799 R800 E802	A580-W755 HydrophobicContact CB-CZ2 4.15Å; E581-W755 PolarHBondContact O-NE1 3.12Å; H753-W755 AromaticContact CD2-CE3 3.61Å; H753-W755 AromaticContact NE2-CD2 3.96Å; H753-W755 AromaticContact NE2-CE3 3.54Å; H753-W755 AromaticContact NE2-CZ3 3.77Å; W755-Q799 PolarHBondContact O-OE1 3.45Å; W755-R800 HydrophobicContact CD2-CB 3.99Å; W755-R800 HydrophobicContact CE3-CB 3.81Å; W755-R800 HydrophobicContact CH2-CB 3.72Å; W755-R800 HydrophobicContact CZ2-CB 3.89Å; W755-R800 HydrophobicContact CZ2-CG 4.46Å; W755-R800 HydrophobicContact CZ3-CB 3.65Å; W755-R800 PolarHBondContact N-O 2.68Å; W755-R800 PolarHBondContact O-N 2.76Å; W755-E802 HydrophobicContact CH2-CB 3.87Å; W755-E802 WeakPolarHBondContact CH2-OE2 3.32Å; W755-E802 HydrophobicContact CZ3-CB 3.5Å
756	P	75.5	Confident	75.7	Confident	13 Å²	13	31.4 Å²	31.4	8%	0.084	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.8	173.3	31.1	-35	0	0	0	111	V14 F766 P797	V14-P756 HydrophobicContact CB-CG 4.28Å; V14-P756 HydrophobicContact CG1-CG 4.15Å; P756-F766 HydrophobicContact CB-CD2 4.32Å; P756-F766 HydrophobicContact CB-CE2 3.82Å; P756-F766 HydrophobicContact CG-CD2 4.1Å; P756-F766 HydrophobicContact CG-CE2 4.06Å; P756-P797 HydrophobicContact CB-CB 3.59Å; P756-P797 HydrophobicContact CB-CG 3.51Å
757	I	73.3	Confident	75.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.5	162.6	64.4	162.4	0	0	0	111	C763 A764 L798 R800	I757-C763 CarbonylContact C-O 3.57Å; I757-C763 WeakPolarHBondContact CA-O 3.38Å; I757-A764 HydrophobicContact CG2-CB 4.22Å; I757-L798 HydrophobicContact CD1-CD2 4.09Å; I757-L798 HydrophobicContact CG1-CB 4.14Å; I757-L798 HydrophobicContact CG1-CD2 4.19Å; I757-L798 HydrophobicContact CG1-CG 4.27Å; I757-L798 VanDerWaalsContact CG1-O 3.32Å; I757-L798 WeakPolarHBondContact CG1-O 3.46Å; I757-L798 PolarHBondContact N-O 2.81Å; I757-L798 PolarHBondContact O-N 3.13Å; I757-R800 HydrophobicContact CD1-CG 3.52Å; I757-R800 HydrophobicContact CG1-CG 3.77Å; I757-R800 HydrophobicContact CG2-CG 4.28Å
758	C	70.7	Confident	74.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.			trans	-76.7	124.6	178.2	-178.5	0	0	0	0	110.5	Y760 C761 S762 C763 F766 C787 C790 L794	C758-Y760 PolarHBondContact O-N 3.29Å; C758-Y760 VanDerWaalsContact O-N 3.11Å; C758-C761 PolarHBondContact O-N 2.82Å; C758-S762 VanDerWaalsContact O-CA 3.24Å; C758-S762 WeakPolarHBondContact O-CA 3.44Å; C758-S762 PolarHBondContact O-N 2.8Å; C758-C763 HydrophobicContact CB-CB 4.44Å; C758-C763 WeakPolarHBondContact CB-O 3.09Å; C758-C763 PolarHBondContact N-O 3.14Å; C758-F766 HydrophobicContact CB-CE1 4.31Å; C758-F766 HydrophobicContact CB-CZ 4.06Å; C758-C787 HydrophobicContact CB-CB 4.01Å; C758-C790 PolarHBondContact SG-SG 2.76Å; C758-L794 HydrophobicContact CB-CD1 4.35Å
759	P	67.6	Low	73.9	Confident	27 Å²	27	34.1 Å²	34.1	18%	0.175	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-11.3	-179.5	28.7	-35	0	0	0	113.9	L794 L798	P759-L794 HydrophobicContact CG-CD2 4.25Å; P759-L798 HydrophobicContact CB-CB 4.24Å
760	Y	66.7	Low	73.2	Confident	114 Å²	114	35.9 Å²	35.9	45%	0.447	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-17.5	-178.3	-59.4	-67.9	0	0	0	114.6	F655 C758 S792 L794	F655-Y760 AromaticContact CE1-CD1 3.95Å; F655-Y760 HydrophobicContact CE1-CD1 3.95Å; F655-Y760 AromaticContact CE1-CE1 3.87Å; F655-Y760 HydrophobicContact CE1-CE1 3.87Å; F655-Y760 AromaticContact CE2-CD1 3.81Å; F655-Y760 HydrophobicContact CE2-CD1 3.81Å; F655-Y760 AromaticContact CZ-CD1 3.42Å; F655-Y760 HydrophobicContact CZ-CD1 3.42Å; F655-Y760 VanDerWaalsContact CZ-CD1 3.42Å; F655-Y760 AromaticContact CZ-CE1 3.73Å; F655-Y760 HydrophobicContact CZ-CE1 3.73Å; C758-Y760 PolarHBondContact O-N 3.29Å; C758-Y760 VanDerWaalsContact O-N 3.11Å; Y760-S792 WeakPolarHBondContact CD2-OG 3.35Å; Y760-L794 HydrophobicContact CD2-CD2 3.98Å; Y760-L794 HydrophobicContact CE2-CD2 3.58Å
761	C	63.8	Low	72.1	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.8	-2.1	-174.9	60.2	0	0	0	0	114.5	E648 C758 C763 R789 C790	E648-C761 HydrophobicContact CG-CB 4.39Å; C758-C761 PolarHBondContact O-N 2.82Å; C761-C763 PolarHBondContact O-N 3.28Å; C761-C763 VanDerWaalsContact SG-CB 3.58Å; C761-R789 PolarHBondContact O-NH2 3.24Å; C761-C790 HydrophobicContact CB-CB 4.35Å; C761-C790 VanDerWaalsContact SG-SG 3.62Å
762	S	67.9	Low	70.5	Confident	11 Å²	11	39.4 Å²	39.4	8%	0.077	21%	0.206	C	C	.	.			trans	58.3	24.2	-175	-57.2	0	0	0	0	115.6	C758	C758-S762 VanDerWaalsContact O-CA 3.24Å; C758-S762 WeakPolarHBondContact O-CA 3.44Å; C758-S762 PolarHBondContact O-N 2.8Å
763	C	71.3	Confident	68.8	Low	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.222	C	C	.	.			trans	-74.3	136.3	169.6	-173	0	0	0	0	111.9	E581 I757 C758 C761 D765 R789	E581-C763 WeakPolarHBondContact OE2-CA 3.48Å; E581-C763 WeakPolarHBondContact OE2-CB 3.4Å; E581-C763 PolarHBondContact OE2-SG 2.91Å; I757-C763 CarbonylContact C-O 3.57Å; I757-C763 WeakPolarHBondContact CA-O 3.38Å; C758-C763 HydrophobicContact CB-CB 4.44Å; C758-C763 WeakPolarHBondContact CB-O 3.09Å; C758-C763 PolarHBondContact N-O 3.14Å; C761-C763 PolarHBondContact O-N 3.28Å; C761-C763 VanDerWaalsContact SG-CB 3.58Å; C763-D765 PolarHBondContact SG-N 2.89Å; C763-R789 HydrophobicContact CB-CB 4.17Å
764	A	74.9	Confident	66.9	Low	22 Å²	22	47.5 Å²	47.5	18%	0.182	25%	0.249	C	C	.	.			trans	-92.8	-15.4	176.2	0	0	0	0	0	114	E581 I757 F766	E581-A764 HydrophobicContact CB-CB 4.46Å; E581-A764 VanDerWaalsContact O-CB 3.28Å; E581-A764 WeakPolarHBondContact O-CB 3.41Å; I757-A764 HydrophobicContact CG2-CB 4.22Å; A764-F766 WeakPolarHBondContact O-CD2 3.36Å; A764-F766 PolarHBondContact O-N 3.19Å
765	D	75.7	Confident	65.2	Low	85 Å²	85	55.9 Å²	55.9	46%	0.455	28%	0.283	S	S	.	.			trans	-76.3	121.7	-178.6	-75.2	-26.9	0	0	0	111.5	C763 V788	C763-D765 PolarHBondContact SG-N 2.89Å; D765-V788 HydrophobicContact CB-CB 3.82Å; D765-V788 HydrophobicContact CB-CG2 3.84Å; D765-V788 PolarHBondContact O-N 2.94Å
766	F	73.4	Confident	63.2	Low	12 Å²	12	61.7 Å²	61.7	5%	0.053	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.4	178.9	-69.2	-73.4	0	0	0	112.4	V14 P756 C758 A764 L785 K786 C787 L794 P797	V14-F766 HydrophobicContact CG2-CB 4.34Å; P756-F766 HydrophobicContact CB-CD2 4.32Å; P756-F766 HydrophobicContact CB-CE2 3.82Å; P756-F766 HydrophobicContact CG-CD2 4.1Å; P756-F766 HydrophobicContact CG-CE2 4.06Å; C758-F766 HydrophobicContact CB-CE1 4.31Å; C758-F766 HydrophobicContact CB-CZ 4.06Å; A764-F766 WeakPolarHBondContact O-CD2 3.36Å; A764-F766 PolarHBondContact O-N 3.19Å; F766-L785 HydrophobicContact CB-CB 4.2Å; F766-L785 HydrophobicContact CB-CD2 4.16Å; F766-L785 HydrophobicContact CD1-CB 3.67Å; F766-L785 HydrophobicContact CE1-CB 4.28Å; F766-L785 HydrophobicContact CG-CB 4.02Å; F766-K786 WeakPolarHBondContact CA-O 3.27Å; F766-C787 HydrophobicContact CD1-CB 4.26Å; F766-C787 HydrophobicContact CE1-CB 3.92Å; F766-L794 HydrophobicContact CE1-CD1 3.58Å; F766-L794 HydrophobicContact CE1-CG 4.48Å; F766-L794 HydrophobicContact CZ-CD1 3.92Å; F766-P797 HydrophobicContact CE2-CB 4.47Å; F766-P797 HydrophobicContact CZ-CB 4.09Å
767	E	79.4	Confident	61.1	Low	90 Å²	90	68.4 Å²	68.4	42%	0.421	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.5	160.2	-71.1	162.8	-144.2	0	0	108.9	Y769 K786 V788	E767-Y769 PolarHBondContact O-N 2.61Å; E767-K786 HydrophobicContact CB-CB 4.43Å; E767-K786 PolarHBondContact N-O 3.45Å; E767-K786 PolarHBondContact O-N 3.49Å; E767-K786 IonicContact OE1-NZ 2.81Å; E767-K786 PolarHBondContact OE1-NZ 3.24Å; E767-K786 IonicContact OE2-NZ 3.26Å; E767-K786 PolarHBondContact OE2-NZ 2.9Å; E767-V788 HydrophobicContact CG-CG2 4.07Å
768	I	75.4	Confident	59.3	Low	59 Å²	59	77.4 Å²	77.4	30%	0.303	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.5	168.3	-59.1	-173	0	0	0	108.6	I12 S770 E783 L785	I12-I768 HydrophobicContact CB-CD1 4.42Å; I12-I768 HydrophobicContact CD1-CD1 3.64Å; I12-I768 HydrophobicContact CD1-CG1 4.28Å; I12-I768 HydrophobicContact CG2-CD1 4.17Å; I768-S770 PolarHBondContact O-N 3.39Å; I768-S770 VanDerWaalsContact O-N 3.16Å; I768-E783 HydrophobicContact CG2-CB 4.36Å; I768-L785 HydrophobicContact CG1-CD2 4.23Å
769	Y	67.3	Low	57.5	Low	84 Å²	84	86.7 Å²	86.7	33%	0.329	42%	0.418	S	S	.	.			trans	-85.6	81.7	175.7	-172.8	-95.8	0	0	0	110.1	E767 D771 N784 K786 I793	E767-Y769 PolarHBondContact O-N 2.61Å; Y769-D771 HydrophobicContact CD1-CB 4.34Å; Y769-D771 HydrophobicContact CE1-CB 3.68Å; Y769-D771 WeakPolarHBondContact CE1-OD1 3.19Å; Y769-D771 PolarHBondContact O-N 2.92Å; Y769-D771 PolarHBondContact OH-OD1 2.96Å; Y769-N784 WeakPolarHBondContact CA-O 3.42Å; Y769-N784 VanDerWaalsContact CB-O 3.28Å; Y769-N784 WeakPolarHBondContact CB-O 3.46Å; Y769-N784 HydrophobicContact CD1-CB 4.45Å; Y769-N784 PolarHBondContact N-O 2.94Å; Y769-K786 HydrophobicContact CD2-CD 4.39Å; Y769-I793 HydrophobicContact CD1-CD1 4.05Å; Y769-I793 HydrophobicContact CD1-CG2 4.14Å; Y769-I793 HydrophobicContact CD2-CD1 3.82Å; Y769-I793 HydrophobicContact CD2-CG1 4.24Å; Y769-I793 HydrophobicContact CE1-CD1 3.98Å; Y769-I793 HydrophobicContact CE2-CD1 3.73Å; Y769-I793 HydrophobicContact CG-CD1 4Å; Y769-I793 HydrophobicContact CG-CG1 4.29Å; Y769-I793 HydrophobicContact CG-CG2 4.23Å
770	S	63	Low	56.1	Low	82 Å²	82	90.6 Å²	90.6	57%	0.573	45%	0.446	S	S	*	.			trans	-72.6	106.1	165.2	60.2	0	0	0	0	109.4	I768 N772	I768-S770 PolarHBondContact O-N 3.39Å; I768-S770 VanDerWaalsContact O-N 3.16Å; S770-N772 PolarHBondContact O-N 3.13Å; S770-N772 VanDerWaalsContact O-N 3.14Å; S770-N772 PolarHBondContact O-OD1 2.88Å; S770-N772 VanDerWaalsContact O-OD1 3.1Å; S770-N772 PolarHBondContact OG-OD1 3.06Å
771	D	53.2	Low	55.2	Low	78 Å²	78	95 Å²	95	42%	0.417	47%	0.468	S	S	.	.			trans	-75	103.5	175	-163.6	54.5	0	0	0	109.4	K168 Y769 N773	K168-D771 IonicContact NZ-OD1 3.39Å; K168-D771 PolarHBondContact NZ-OD1 3.18Å; K168-D771 IonicContact NZ-OD2 2.74Å; K168-D771 PolarHBondContact NZ-OD2 2.97Å; Y769-D771 HydrophobicContact CD1-CB 4.34Å; Y769-D771 HydrophobicContact CE1-CB 3.68Å; Y769-D771 WeakPolarHBondContact CE1-OD1 3.19Å; Y769-D771 PolarHBondContact O-N 2.92Å; Y769-D771 PolarHBondContact OH-OD1 2.96Å; D771-N773 PolarHBondContact O-N 3.02Å
772	N	47.2	Very low	54.6	Low	89 Å²	89	97.7 Å²	97.7	48%	0.476	48%	0.48	S	S	.	.			trans	-67.2	36.9	-172	-71.8	10.9	0	0	0	115.7	S770	S770-N772 PolarHBondContact O-N 3.13Å; S770-N772 VanDerWaalsContact O-N 3.14Å; S770-N772 PolarHBondContact O-OD1 2.88Å; S770-N772 VanDerWaalsContact O-OD1 3.1Å; S770-N772 PolarHBondContact OG-OD1 3.06Å
773	N	44.2	Very low	54.3	Low	63 Å²	63	102.7 Å²	102.7	34%	0.337	50%	0.502	S	S	.	.			trans	-96.5	88	166.4	-83.3	-8.2	0	0	0	109.9	K168 D771 K775 I776	K168-N773 WeakPolarHBondContact CD-OD1 3.38Å; K168-N773 WeakPolarHBondContact CE-OD1 3.41Å; K168-N773 PolarHBondContact NZ-ND2 3.27Å; K168-N773 PolarHBondContact NZ-OD1 2.74Å; D771-N773 PolarHBondContact O-N 3.02Å; N773-K775 PolarHBondContact O-N 3.39Å; N773-I776 PolarHBondContact O-N 2.65Å
774	D	40.1	Very low	54.5	Low	114 Å²	114	105.2 Å²	105.2	61%	0.61	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	3	177.1	-97.8	-64.3	0	0	0	116.1	K777	D774-K777 IonicContact OD1-NZ 3.83Å; D774-K777 PolarHBondContact OD1-NZ 3.48Å
775	K	39.4	Very low	54.6	Low	205 Å²	205	104.4 Å²	104.4	89%	0.891	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.7	-178	-66.1	-172.7	175.7	-179	0	115.1	N773	N773-K775 PolarHBondContact O-N 3.39Å
776	I	38.2	Very low	54.7	Low	140 Å²	140	101.9 Å²	101.9	72%	0.718	49%	0.493	S	S	*	.			trans	-122.4	66.3	173.1	-47.2	-178.2	0	0	0	109.8	N773 Y778	N773-I776 PolarHBondContact O-N 2.65Å; I776-Y778 VanDerWaalsContact C-N 3.31Å; I776-Y778 PolarHBondContact O-N 3.31Å
777	K	31.3	Very low	54.7	Low	153 Å²	153	101.3 Å²	101.3	67%	0.665	49%	0.49	S	S	*	.			trans	-90.6	14.7	-174.8	-134.5	156.4	-172.1	158.9	0	114.3	D774	D774-K777 IonicContact OD1-NZ 3.83Å; D774-K777 PolarHBondContact OD1-NZ 3.48Å
778	Y	35.1	Very low	54.2	Low	189 Å²	189	99.8 Å²	99.8	74%	0.741	49%	0.487	S	S	*	.	S	Bend	trans	-138	140.3	-178.6	-72.8	-84.3	0	0	0	111.9	I776	I776-Y778 VanDerWaalsContact C-N 3.31Å; I776-Y778 PolarHBondContact O-N 3.31Å
779	F	32	Very low	53.6	Low	195 Å²	195	101.2 Å²	101.2	86%	0.855	49%	0.489	S	S	*	.	S	Bend	trans	77.4	135.4	-177.1	-52.8	-75.9	0	0	0	115.9
780	S	39.2	Very low	53.5	Low	110 Å²	110	99.4 Å²	99.4	77%	0.769	49%	0.487	S	S	*	.			trans	51.5	89.7	-173.3	46.2	0	0	0	0	117	Q782	S780-Q782 PolarHBondContact O-N 3.49Å
781	K	46.6	Very low	54	Low	206 Å²	206	99 Å²	99	90%	0.896	48%	0.479	S	S	*	.			trans	-74.1	71.4	156	-74.5	-169.9	174.5	-169.9	0	110.3
782	Q	51.7	Low	54.8	Low	62 Å²	62	97 Å²	97	29%	0.29	47%	0.47	S	S	.	.			trans	-111.4	111	159.4	-78.4	-166.6	-41.4	0	0	107.6	S780 N784	S780-Q782 PolarHBondContact O-N 3.49Å; Q782-N784 PolarHBondContact O-N 3.22Å; Q782-N784 VanDerWaalsContact O-N 3.1Å
783	E	62.5	Low	56.3	Low	116 Å²	116	96.9 Å²	96.9	54%	0.542	47%	0.469	S	S	.	.			trans	-71.4	102.9	174.5	-70.1	-177.7	168.3	0	0	108.1	I768 L785	I768-E783 HydrophobicContact CG2-CB 4.36Å; E783-L785 PolarHBondContact O-N 3.5Å
784	N	73.8	Confident	57.6	Low	56 Å²	56	94.3 Å²	94.3	30%	0.299	46%	0.455	S	S	.	.			trans	-64.5	132.1	178	-67.5	-71.4	0	0	0	109.3	Y769 Q782 I793 L794 S795	Y769-N784 WeakPolarHBondContact CA-O 3.42Å; Y769-N784 VanDerWaalsContact CB-O 3.28Å; Y769-N784 WeakPolarHBondContact CB-O 3.46Å; Y769-N784 HydrophobicContact CD1-CB 4.45Å; Y769-N784 PolarHBondContact N-O 2.94Å; Q782-N784 PolarHBondContact O-N 3.22Å; Q782-N784 VanDerWaalsContact O-N 3.1Å; N784-I793 HydrophobicContact CB-CG2 3.65Å; N784-L794 CarbonylContact C-O 3.54Å; N784-L794 WeakPolarHBondContact CA-O 3.3Å; N784-S795 WeakPolarHBondContact OD1-CA 3.05Å; N784-S795 WeakPolarHBondContact OD1-CB 3.43Å
785	L	77.2	Confident	59.1	Low	4 Å²	4	91.3 Å²	91.3	2%	0.021	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.4	179.2	-67.2	170.7	0	0	0	109.5	V14 F31 F766 I768 E783 L794 P797	V14-L785 HydrophobicContact CG2-CD2 4.14Å; F31-L785 HydrophobicContact CE1-CD1 3.96Å; F31-L785 HydrophobicContact CZ-CD1 3.94Å; F766-L785 HydrophobicContact CB-CB 4.2Å; F766-L785 HydrophobicContact CB-CD2 4.16Å; F766-L785 HydrophobicContact CD1-CB 3.67Å; F766-L785 HydrophobicContact CE1-CB 4.28Å; F766-L785 HydrophobicContact CG-CB 4.02Å; I768-L785 HydrophobicContact CG1-CD2 4.23Å; E783-L785 PolarHBondContact O-N 3.5Å; L785-L794 PolarHBondContact N-O 2.89Å; L785-L794 PolarHBondContact O-N 3.06Å; L785-P797 HydrophobicContact CD1-CG 3.94Å
786	K	79.4	Confident	60.6	Low	33 Å²	33	85.1 Å²	85.1	14%	0.143	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113.2	175.5	170	-178.1	159.1	-70.8	0	108.9	F766 E767 Y769 V788 S792 I793	F766-K786 WeakPolarHBondContact CA-O 3.27Å; E767-K786 HydrophobicContact CB-CB 4.43Å; E767-K786 PolarHBondContact N-O 3.45Å; E767-K786 PolarHBondContact O-N 3.49Å; E767-K786 IonicContact OE1-NZ 2.81Å; E767-K786 PolarHBondContact OE1-NZ 3.24Å; E767-K786 IonicContact OE2-NZ 3.26Å; E767-K786 PolarHBondContact OE2-NZ 2.9Å; Y769-K786 HydrophobicContact CD2-CD 4.39Å; K786-V788 PolarHBondContact O-N 2.99Å; K786-S792 WeakPolarHBondContact CA-O 3.21Å; K786-I793 HydrophobicContact CB-CG1 4.39Å
787	C	71.6	Confident	62.3	Low	0 Å²	0	79.1 Å²	79.1	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	131.9	173	172.5	0	0	0	0	110.1	C758 F766 C790 L791 S792	C758-C787 HydrophobicContact CB-CB 4.01Å; F766-C787 HydrophobicContact CD1-CB 4.26Å; F766-C787 HydrophobicContact CE1-CB 3.92Å; C787-C790 PolarHBondContact SG-N 3.13Å; C787-L791 WeakPolarHBondContact O-CA 3.31Å; C787-L791 PolarHBondContact O-N 3.35Å; C787-S792 PolarHBondContact N-O 3.11Å
788	V	69.5	Low	64.3	Low	58 Å²	58	72.9 Å²	72.9	35%	0.352	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-44.9	-179.4	175.6	0	0	0	0	111.2	D765 E767 K786 L791	D765-V788 HydrophobicContact CB-CB 3.82Å; D765-V788 HydrophobicContact CB-CG2 3.84Å; D765-V788 PolarHBondContact O-N 2.94Å; E767-V788 HydrophobicContact CG-CG2 4.07Å; K786-V788 PolarHBondContact O-N 2.99Å; V788-L791 VanDerWaalsContact O-CD2 3.3Å; V788-L791 WeakPolarHBondContact O-CD2 3.5Å
789	R	64.1	Low	66.1	Low	89 Å²	89	66.1 Å²	66.1	34%	0.336	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-52.6	-175.8	-170.1	163.6	70.7	-105.9	-5.4	113.7	E581 E648 C761 C763	E581-R789 IonicContact OE1-NH1 3.57Å; E581-R789 PolarHBondContact OE1-NH1 2.56Å; E581-R789 IonicContact OE2-CZ 2.66Å; E581-R789 IonicContact OE2-NH1 3.8Å; E581-R789 PolarHBondContact OE2-NH1 2.85Å; E648-R789 IonicContact OE1-CZ 2.7Å; E648-R789 IonicContact OE1-NE 2.73Å; E648-R789 PolarHBondContact OE1-NE 2.85Å; E648-R789 IonicContact OE1-NH2 3.7Å; E648-R789 PolarHBondContact OE1-NH2 3.36Å; C761-R789 PolarHBondContact O-NH2 3.24Å; C763-R789 HydrophobicContact CB-CB 4.17Å
790	C	63.8	Low	68.1	Low	45 Å²	45	58.8 Å²	58.8	30%	0.304	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.3	-175.8	79.1	0	0	0	0	114.6	C758 C761 C787 S792	C758-C790 PolarHBondContact SG-SG 2.76Å; C761-C790 HydrophobicContact CB-CB 4.35Å; C761-C790 VanDerWaalsContact SG-SG 3.62Å; C787-C790 PolarHBondContact SG-N 3.13Å; C790-S792 PolarHBondContact O-N 3Å; C790-S792 VanDerWaalsContact SG-CB 3.6Å; C790-S792 PolarHBondContact SG-OG 3.09Å
791	L	73.7	Confident	70	Confident	75 Å²	75	54.4 Å²	54.4	39%	0.393	27%	0.273	S	S	.	.			trans	61.8	10.7	177.4	-52.2	171.8	0	0	0	115.1	C787 V788	C787-L791 WeakPolarHBondContact O-CA 3.31Å; C787-L791 PolarHBondContact O-N 3.35Å; V788-L791 VanDerWaalsContact O-CD2 3.3Å; V788-L791 WeakPolarHBondContact O-CD2 3.5Å
792	S	69.7	Low	71.7	Confident	34 Å²	34	44.9 Å²	44.9	24%	0.238	23%	0.232	C	C	.	.			trans	-67.1	133.2	172.2	-61.3	0	0	0	0	111	Y760 K786 C787 C790	Y760-S792 WeakPolarHBondContact CD2-OG 3.35Å; K786-S792 WeakPolarHBondContact CA-O 3.21Å; C787-S792 PolarHBondContact N-O 3.11Å; C790-S792 PolarHBondContact O-N 3Å; C790-S792 VanDerWaalsContact SG-CB 3.6Å; C790-S792 PolarHBondContact SG-OG 3.09Å
793	I	78.4	Confident	73.3	Confident	88 Å²	88	42 Å²	42	45%	0.451	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.8	172.6	-58.2	171.5	0	0	0	108	Y769 N784 K786	Y769-I793 HydrophobicContact CD1-CD1 4.05Å; Y769-I793 HydrophobicContact CD1-CG2 4.14Å; Y769-I793 HydrophobicContact CD2-CD1 3.82Å; Y769-I793 HydrophobicContact CD2-CG1 4.24Å; Y769-I793 HydrophobicContact CE1-CD1 3.98Å; Y769-I793 HydrophobicContact CE2-CD1 3.73Å; Y769-I793 HydrophobicContact CG-CD1 4Å; Y769-I793 HydrophobicContact CG-CG1 4.29Å; Y769-I793 HydrophobicContact CG-CG2 4.23Å; N784-I793 HydrophobicContact CB-CG2 3.65Å; K786-I793 HydrophobicContact CB-CG1 4.39Å
794	L	72.1	Confident	74.5	Confident	9 Å²	9	36.9 Å²	36.9	5%	0.047	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.3	-175.6	-50.6	178.8	0	0	0	110.2	C758 P759 Y760 F766 N784 L785 P797	C758-L794 HydrophobicContact CB-CD1 4.35Å; P759-L794 HydrophobicContact CG-CD2 4.25Å; Y760-L794 HydrophobicContact CD2-CD2 3.98Å; Y760-L794 HydrophobicContact CE2-CD2 3.58Å; F766-L794 HydrophobicContact CE1-CD1 3.58Å; F766-L794 HydrophobicContact CE1-CG 4.48Å; F766-L794 HydrophobicContact CZ-CD1 3.92Å; N784-L794 CarbonylContact C-O 3.54Å; N784-L794 WeakPolarHBondContact CA-O 3.3Å; L785-L794 PolarHBondContact N-O 2.89Å; L785-L794 PolarHBondContact O-N 3.06Å; L794-P797 HydrophobicContact CD1-CB 4.11Å
795	S	71.3	Confident	75.4	Confident	51 Å²	51	34.2 Å²	34.2	36%	0.357	18%	0.181	S	C	.	.	S	Bend	trans	-81.9	-32.9	166.1	51.5	0	0	0	0	112.2	N784	N784-S795 WeakPolarHBondContact OD1-CA 3.05Å; N784-S795 WeakPolarHBondContact OD1-CB 3.43Å
796	N	70.9	Confident	76.1	Confident	75 Å²	75	35.7 Å²	35.7	40%	0.401	19%	0.187	S	C	.	.	S	Bend	trans	-127.7	104.1	173.6	-60.6	-54.5	0	0	0	108.7
797	P	73.5	Confident	76.7	Confident	13 Å²	13	34.1 Å²	34.1	8%	0.084	18%	0.181	C	C	.	.			trans	-69	161.4	167.4	33	-37.8	0	0	0	110.9	P756 F766 L785 L794 Q799	P756-P797 HydrophobicContact CB-CB 3.59Å; P756-P797 HydrophobicContact CB-CG 3.51Å; F766-P797 HydrophobicContact CE2-CB 4.47Å; F766-P797 HydrophobicContact CZ-CB 4.09Å; L785-P797 HydrophobicContact CD1-CG 3.94Å; L794-P797 HydrophobicContact CD1-CB 4.11Å; P797-Q799 PolarHBondContact O-N 3.18Å
798	L	73.6	Confident	77.7	Confident	23 Å²	23	35.8 Å²	35.8	12%	0.12	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112	175	178.7	67.6	0	0	0	108.4	F663 L664 I757 P759	F663-L798 HydrophobicContact CB-CD2 4.46Å; L664-L798 HydrophobicContact CD2-CD1 3.52Å; L664-L798 HydrophobicContact CG-CD1 3.73Å; I757-L798 HydrophobicContact CD1-CD2 4.09Å; I757-L798 HydrophobicContact CG1-CB 4.14Å; I757-L798 HydrophobicContact CG1-CD2 4.19Å; I757-L798 HydrophobicContact CG1-CG 4.27Å; I757-L798 VanDerWaalsContact CG1-O 3.32Å; I757-L798 WeakPolarHBondContact CG1-O 3.46Å; I757-L798 PolarHBondContact N-O 2.81Å; I757-L798 PolarHBondContact O-N 3.13Å; P759-L798 HydrophobicContact CB-CB 4.24Å
799	Q	74	Confident	78.7	Confident	47 Å²	47	33.2 Å²	33.2	22%	0.22	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.1	176.1	-57.1	-62.4	-16.7	0	0	109.9	V754 W755 P797 L851	V754-Q799 HydrophobicContact CG1-CB 4.12Å; W755-Q799 PolarHBondContact O-OE1 3.45Å; P797-Q799 PolarHBondContact O-N 3.18Å; Q799-L851 HydrophobicContact CB-CD1 4.01Å; Q799-L851 HydrophobicContact CB-CD2 3.79Å
800	R	74	Confident	79.7	Confident	41 Å²	41	32.5 Å²	32.5	16%	0.155	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	144.5	163.9	-78.4	-80	171.7	135.5	-4.4	108.8	T666 V754 W755 I757	T666-R800 PolarHBondContact O-NH2 3.21Å; V754-R800 VanDerWaalsContact CA-O 3.32Å; V754-R800 WeakPolarHBondContact CA-O 3.3Å; V754-R800 WeakPolarHBondContact CG1-O 3.27Å; W755-R800 HydrophobicContact CD2-CB 3.99Å; W755-R800 HydrophobicContact CE3-CB 3.81Å; W755-R800 HydrophobicContact CH2-CB 3.72Å; W755-R800 HydrophobicContact CZ2-CB 3.89Å; W755-R800 HydrophobicContact CZ2-CG 4.46Å; W755-R800 HydrophobicContact CZ3-CB 3.65Å; W755-R800 PolarHBondContact N-O 2.68Å; W755-R800 PolarHBondContact O-N 2.76Å; I757-R800 HydrophobicContact CD1-CG 3.52Å; I757-R800 HydrophobicContact CG1-CG 3.77Å; I757-R800 HydrophobicContact CG2-CG 4.28Å
801	L	78	Confident	80.6	Confident	17 Å²	17	30.7 Å²	30.7	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.6	169.2	169.1	66.4	0	0	0	107.5	V754 L839 L850 L856	V754-L801 HydrophobicContact CG2-CB 4.28Å; V754-L801 HydrophobicContact CG2-CD1 3.63Å; L801-L839 HydrophobicContact CD2-CD2 3.39Å; L801-L850 HydrophobicContact CD2-CD2 3.83Å; L801-L856 HydrophobicContact CD1-CD1 4.25Å; L801-L856 HydrophobicContact CD2-CD1 3.82Å
802	E	82	Confident	80.3	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.028	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.3	169.5	-176.4	170.2	153.3	0	0	106	S583 L584 V585 S752 H753 W755 N833	S583-E802 WeakPolarHBondContact CA-OE2 3.36Å; S583-E802 VanDerWaalsContact CB-OE2 3.22Å; S583-E802 WeakPolarHBondContact CB-OE2 3.47Å; S583-E802 PolarHBondContact OG-OE2 3.15Å; L584-E802 WeakPolarHBondContact CA-OE1 3.46Å; L584-E802 WeakPolarHBondContact CB-OE1 3.2Å; L584-E802 PolarHBondContact N-OE1 2.77Å; L584-E802 PolarHBondContact N-OE2 2.87Å; V585-E802 PolarHBondContact N-OE1 3.34Å; S752-E802 CarbonylContact C-O 3.52Å; S752-E802 VanDerWaalsContact CA-O 3.27Å; S752-E802 WeakPolarHBondContact CA-O 3.31Å; H753-E802 IonicContact CE1-OE2 2.81Å; H753-E802 PolarHBondContact N-O 2.89Å; H753-E802 PolarHBondContact O-N 3Å; W755-E802 HydrophobicContact CH2-CB 3.87Å; W755-E802 WeakPolarHBondContact CH2-OE2 3.32Å; W755-E802 HydrophobicContact CZ3-CB 3.5Å; E802-N833 WeakPolarHBondContact CG-ND2 3.33Å; E802-N833 PolarHBondContact OE1-ND2 3.08Å
803	L	85.5	Confident	79.6	Confident	3 Å²	3	35.3 Å²	35.3	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.3	-176.7	-175.3	82	0	0	0	108.2	V747 V805 N833 M834 L839 L861	V747-L803 HydrophobicContact CG1-CD1 3.82Å; L803-V805 HydrophobicContact CD2-CG1 3.83Å; L803-V805 HydrophobicContact CG-CG1 3.92Å; L803-N833 CarbonylContact O-C 3.51Å; L803-N833 WeakPolarHBondContact O-CA 3.44Å; L803-M834 HydrophobicContact CD2-CB 4.34Å; L803-M834 HydrophobicContact CD2-CE 3.8Å; L803-M834 HydrophobicContact CD2-SD 4.16Å; L803-M834 PolarHBondContact O-N 3.16Å; L803-L839 HydrophobicContact CD2-CD1 3.83Å; L803-L839 HydrophobicContact CD2-CD2 3.94Å; L803-L839 HydrophobicContact CD2-CG 4.36Å; L803-L861 HydrophobicContact CD2-CD1 4.2Å
804	E	89	Confident	77.8	Confident	7 Å²	7	37.4 Å²	37.4	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.9	179.1	-165.2	172	129.2	0	0	109.8	D748 R751 S752 T831 L832 Y897	D748-E804 HydrophobicContact CB-CB 4.37Å; D748-E804 PolarHBondContact N-O 3.21Å; R751-E804 HydrophobicContact CB-CB 4.2Å; R751-E804 VanDerWaalsContact CD-OE1 3.23Å; R751-E804 WeakPolarHBondContact CD-OE1 3.48Å; R751-E804 IonicContact CZ-OE1 3.47Å; R751-E804 IonicContact CZ-OE2 3.89Å; R751-E804 IonicContact NE-OE1 3.69Å; R751-E804 PolarHBondContact NE-OE1 2.7Å; R751-E804 IonicContact NE-OE2 3.4Å; R751-E804 PolarHBondContact NE-OE2 3.14Å; R751-E804 IonicContact NH2-OE2 2.97Å; R751-E804 PolarHBondContact NH2-OE2 3.04Å; R751-E804 VanDerWaalsContact NH2-OE2 3.13Å; S752-E804 PolarHBondContact OG-N 3.04Å; S752-E804 PolarHBondContact OG-O 2.87Å; E804-T831 HydrophobicContact CG-CG2 3.52Å; E804-T831 VanDerWaalsContact OE1-CG2 3.3Å; E804-T831 WeakPolarHBondContact OE1-CG2 3.42Å; E804-L832 WeakPolarHBondContact CA-O 3.49Å; E804-Y897 VanDerWaalsContact CD-OH 3.29Å; E804-Y897 HydrophobicContact CG-CE2 4.12Å; E804-Y897 WeakPolarHBondContact OE1-CE2 2.96Å; E804-Y897 VanDerWaalsContact OE2-CE2 3.28Å; E804-Y897 WeakPolarHBondContact OE2-CE2 3.42Å; E804-Y897 PolarHBondContact OE2-OH 3.34Å
805	V	91.5	Very high	76.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	150.9	-174.4	-54.6	0	0	0	0	111.2	L744 R746 V747 L803 V807 L832 M834	L744-V805 HydrophobicContact CD1-CB 4.21Å; L744-V805 HydrophobicContact CD1-CG1 4.13Å; L744-V805 HydrophobicContact CD1-CG2 4.21Å; L744-V805 HydrophobicContact CD2-CB 4.24Å; L744-V805 HydrophobicContact CD2-CG1 4.49Å; L744-V805 HydrophobicContact CG-CB 4.03Å; L744-V805 HydrophobicContact CG-CG1 4.42Å; L744-V805 HydrophobicContact CG-CG2 4.16Å; R746-V805 CarbonylContact O-C 3.57Å; R746-V805 VanDerWaalsContact O-CA 3.31Å; R746-V805 WeakPolarHBondContact O-CA 3.38Å; R746-V805 WeakPolarHBondContact O-CB 3.37Å; V747-V805 HydrophobicContact CB-CG1 4.42Å; V747-V805 HydrophobicContact CG1-CG1 4.32Å; V747-V805 HydrophobicContact CG2-CG1 4.08Å; L803-V805 HydrophobicContact CD2-CG1 3.83Å; L803-V805 HydrophobicContact CG-CG1 3.92Å; V805-V807 HydrophobicContact CG2-CG2 3.94Å; V805-L832 HydrophobicContact CG2-CB 3.98Å; V805-L832 HydrophobicContact CG2-CD2 4.36Å; V805-L832 HydrophobicContact CG2-CG 4.48Å; V805-L832 PolarHBondContact N-O 2.8Å; V805-L832 PolarHBondContact O-N 3.37Å; V805-M834 HydrophobicContact CB-CE 4.48Å; V805-M834 HydrophobicContact CG1-CE 3.87Å; V805-M834 HydrophobicContact CG2-CB 4.42Å; V805-M834 HydrophobicContact CG2-CE 3.86Å
806	Q	92.3	Very high	74.5	Confident	35 Å²	35	48.3 Å²	48.3	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.2	170.2	-59.6	-175.1	-56.5	0	0	109.3	I745 R746 E829 L830	I745-Q806 HydrophobicContact CD1-CB 4.2Å; I745-Q806 HydrophobicContact CG1-CB 3.81Å; I745-Q806 WeakPolarHBondContact CG1-O 3.33Å; I745-Q806 PolarHBondContact N-O 2.83Å; R746-Q806 HydrophobicContact CB-CB 4.08Å; R746-Q806 HydrophobicContact CB-CG 4.28Å; R746-Q806 PolarHBondContact O-N 3.25Å; Q806-E829 HydrophobicContact CB-CG 4.36Å; Q806-E829 PolarHBondContact NE2-OE1 2.79Å; Q806-L830 CarbonylContact C-O 3.56Å; Q806-L830 WeakPolarHBondContact CA-O 3.47Å
807	V	93.1	Very high	72.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.5	-177.6	-172	0	0	0	0	109.4	F740 T743 V805 E829 L830 L832 L866	F740-V807 HydrophobicContact CE2-CG1 4.16Å; T743-V807 WeakPolarHBondContact O-CA 3.28Å; V805-V807 HydrophobicContact CG2-CG2 3.94Å; V807-E829 WeakPolarHBondContact O-CA 3.47Å; V807-L830 PolarHBondContact N-O 3.48Å; V807-L830 PolarHBondContact O-N 3.46Å; V807-L832 HydrophobicContact CG2-CB 3.86Å; V807-L832 HydrophobicContact CG2-CD2 3.99Å; V807-L866 HydrophobicContact CB-CD1 4.47Å; V807-L866 HydrophobicContact CG1-CD1 3.99Å; V807-L866 HydrophobicContact CG2-CD1 3.59Å
808	L	91.1	Very high	71.1	Confident	35 Å²	35	55.4 Å²	55.4	18%	0.183	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.9	172.2	-172.3	68.9	0	0	0	109.5	G742 T743 I745 V883	G742-L808 CarbonylContact C-O 3.6Å; G742-L808 WeakPolarHBondContact CA-O 3.4Å; T743-L808 PolarHBondContact N-O 3.44Å; T743-L808 PolarHBondContact O-N 2.86Å; I745-L808 HydrophobicContact CD1-CB 4.41Å; I745-L808 HydrophobicContact CG2-CB 3.73Å; I745-L808 HydrophobicContact CG2-CD2 4.49Å; L808-V883 HydrophobicContact CD1-CG2 4.2Å
809	I	90.6	Very high	69.4	Low	4 Å²	4	60.6 Å²	60.6	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.5	163.8	-57.9	174.6	0	0	0	107.3	L723 F740 F811 S827 V828 L830	L723-I809 HydrophobicContact CD1-CD1 4.03Å; F740-I809 HydrophobicContact CB-CD1 3.59Å; F740-I809 HydrophobicContact CB-CG1 4.33Å; F740-I809 HydrophobicContact CD1-CD1 4.35Å; F740-I809 HydrophobicContact CD2-CD1 3.72Å; F740-I809 HydrophobicContact CD2-CG1 3.95Å; F740-I809 HydrophobicContact CE2-CD1 4.46Å; F740-I809 HydrophobicContact CG-CD1 3.65Å; F740-I809 HydrophobicContact CG-CG1 4.35Å; I809-F811 HydrophobicContact CB-CZ 4.49Å; I809-F811 HydrophobicContact CG2-CD1 3.9Å; I809-F811 HydrophobicContact CG2-CE1 3.42Å; I809-F811 VanDerWaalsContact CG2-CE1 3.42Å; I809-F811 HydrophobicContact CG2-CZ 3.82Å; I809-S827 CarbonylContact O-C 3.57Å; I809-S827 WeakPolarHBondContact O-CA 3.38Å; I809-S827 VanDerWaalsContact O-CB 3.29Å; I809-S827 WeakPolarHBondContact O-CB 3.33Å; I809-V828 PolarHBondContact N-O 2.94Å; I809-V828 PolarHBondContact O-N 2.97Å; I809-L830 HydrophobicContact CD1-CD1 3.45Å; I809-L830 VanDerWaalsContact CD1-CD1 3.45Å; I809-L830 HydrophobicContact CD1-CG 3.98Å; I809-L830 HydrophobicContact CG1-CD1 4.34Å
810	N	86.7	Confident	67.5	Low	74 Å²	74	69 Å²	69	40%	0.396	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.2	168.3	-65.7	-66	0	0	0	108	S827	N810-S827 WeakPolarHBondContact OD1-CB 3.3Å
811	F	82	Confident	65.6	Low	7 Å²	7	74 Å²	74	3%	0.031	39%	0.391	C	S	.	.			trans	-86.5	119.4	168.6	-53	-58.9	0	0	0	108.1	L723 Q724 S725 L726 V729 I809 D813 S826 V828	L723-F811 HydrophobicContact CB-CE1 4.46Å; Q724-F811 WeakPolarHBondContact O-CD1 3.2Å; S725-F811 WeakPolarHBondContact O-CZ 3.42Å; L726-F811 HydrophobicContact CB-CD2 4.27Å; L726-F811 HydrophobicContact CB-CE2 4.2Å; V729-F811 HydrophobicContact CG2-CE2 4.21Å; V729-F811 HydrophobicContact CG2-CZ 3.69Å; I809-F811 HydrophobicContact CB-CZ 4.49Å; I809-F811 HydrophobicContact CG2-CD1 3.9Å; I809-F811 HydrophobicContact CG2-CE1 3.42Å; I809-F811 VanDerWaalsContact CG2-CE1 3.42Å; I809-F811 HydrophobicContact CG2-CZ 3.82Å; F811-D813 PolarHBondContact O-N 2.96Å; F811-S826 WeakPolarHBondContact CB-O 3.5Å; F811-S826 WeakPolarHBondContact CD2-O 3.34Å; F811-S826 PolarHBondContact N-O 2.86Å; F811-V828 HydrophobicContact CE2-CB 4.28Å; F811-V828 HydrophobicContact CE2-CG2 3.81Å; F811-V828 HydrophobicContact CZ-CG2 4.45Å
812	D	67.9	Low	63.6	Low	125 Å²	125	82.5 Å²	82.5	67%	0.668	43%	0.428	S	S	*	.			trans	-78.3	98.2	172	-84.7	-31.9	0	0	0	108.8	D814 K825	D812-D814 PolarHBondContact O-N 3.06Å; D812-K825 IonicContact OD1-NZ 3.39Å; D812-K825 PolarHBondContact OD1-NZ 2.82Å
813	D	53.1	Low	61.4	Low	80 Å²	80	89 Å²	89	43%	0.428	45%	0.452	S	S	.	.			trans	-47	123.6	169.3	-89.1	1	0	0	0	110	F811	F811-D813 PolarHBondContact O-N 2.96Å
814	D	42.5	Very low	59.3	Low	132 Å²	132	95.3 Å²	95.3	71%	0.706	48%	0.481	S	S	*	.			trans	-58.4	149.5	-171.9	-143.8	-25.3	0	0	0	112.4	D812 S816	D812-D814 PolarHBondContact O-N 3.06Å; D814-S816 PolarHBondContact O-N 2.98Å
815	Q	39.2	Very low	57.7	Low	199 Å²	199	100.8 Å²	100.8	93%	0.93	51%	0.505	S	S	*	.	S	Bend	trans	-71.4	15.9	-164.8	-60.3	-170.9	5.7	0	0	115.1
816	S	35	Very low	56.7	Low	90 Å²	90	102.2 Å²	102.2	63%	0.629	52%	0.515	S	S	*	.			trans	-111.8	56.3	-162.9	58.8	0	0	0	0	114.5	D814	D814-S816 PolarHBondContact O-N 2.98Å
817	T	34.5	Very low	56.1	Low	98 Å²	98	101.9 Å²	101.9	60%	0.601	52%	0.516	S	S	*	.			trans	-166	133.3	146.3	6.1	0	0	0	0	114.4	N819 R823	T817-N819 PolarHBondContact O-N 3.4Å; T817-R823 PolarHBondContact OG1-NH1 3.43Å; T817-R823 PolarHBondContact OG1-NH2 3.09Å
818	V	37.5	Very low	55.7	Low	139 Å²	139	102 Å²	102	84%	0.842	52%	0.517	S	S	*	.			trans	-78.5	99.6	172.7	179.8	0	0	0	0	110.3
819	N	37.8	Very low	55.6	Low	133 Å²	133	102 Å²	102	71%	0.711	52%	0.516	S	S	*	.			trans	-166.5	127.3	146.2	-102.7	-35.6	0	0	0	112.2	T817 L821	T817-N819 PolarHBondContact O-N 3.4Å; N819-L821 VanDerWaalsContact C-N 3.27Å; N819-L821 PolarHBondContact O-N 2.97Å
820	K	34.5	Very low	55.7	Low	222 Å²	222	101.9 Å²	101.9	97%	0.965	52%	0.515	S	S	*	.			trans	-84.1	54	-175.5	-67.9	-176	175.6	-179.4	0	113.4
821	L	33.1	Very low	56	Low	147 Å²	147	98.9 Å²	98.9	77%	0.77	50%	0.5	S	S	*	.	S	Bend	trans	-105	135.4	166.4	-87.3	155.2	0	0	0	108.7	N819 R823	N819-L821 VanDerWaalsContact C-N 3.27Å; N819-L821 PolarHBondContact O-N 2.97Å; L821-R823 PolarHBondContact O-N 2.77Å
822	K	37.3	Very low	56.6	Low	196 Å²	196	98.6 Å²	98.6	85%	0.852	50%	0.498	S	S	*	.			trans	-49.7	94.3	-168.4	-65	178.7	177.8	-178	0	112.6	H824	K822-H824 PolarHBondContact O-N 2.92Å
823	R	35.7	Very low	57.7	Low	141 Å²	141	93.4 Å²	93.4	53%	0.532	47%	0.471	S	S	.	.			trans	-73.2	113.8	162.1	-71.7	-171.6	178.5	163.5	1.2	107.3	T817 L821 K825	T817-R823 PolarHBondContact OG1-NH1 3.43Å; T817-R823 PolarHBondContact OG1-NH2 3.09Å; L821-R823 PolarHBondContact O-N 2.77Å; R823-K825 PolarHBondContact O-N 3.2Å
824	H	40.9	Very low	59.4	Low	136 Å²	136	89.8 Å²	89.8	63%	0.63	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-64.5	120.1	164.7	-71.4	-128.5	0	0	0	105.7	K822 S826 D884	K822-H824 PolarHBondContact O-N 2.92Å; H824-S826 PolarHBondContact O-N 3.34Å; H824-S826 VanDerWaalsContact O-N 3.13Å; H824-D884 IonicContact CE1-OD2 3.9Å; H824-D884 IonicContact ND1-OD2 2.83Å; H824-D884 PolarHBondContact ND1-OD2 3.47Å
825	K	55	Low	61.4	Low	123 Å²	123	84 Å²	84	54%	0.535	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-56.7	122.6	172.5	-84.1	-157.6	174.2	-163.7	0	107.6	D812 R823 S827	D812-K825 IonicContact OD1-NZ 3.39Å; D812-K825 PolarHBondContact OD1-NZ 2.82Å; R823-K825 PolarHBondContact O-N 3.2Å; K825-S827 PolarHBondContact O-N 2.88Å
826	S	71	Confident	63.3	Low	31 Å²	31	76.7 Å²	76.7	22%	0.217	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-70.5	118	177.1	60.8	0	0	0	0	108.6	F811 H824	F811-S826 WeakPolarHBondContact CB-O 3.5Å; F811-S826 WeakPolarHBondContact CD2-O 3.34Å; F811-S826 PolarHBondContact N-O 2.86Å; H824-S826 PolarHBondContact O-N 3.34Å; H824-S826 VanDerWaalsContact O-N 3.13Å
827	S	79.6	Confident	65.4	Low	27 Å²	27	75.1 Å²	75.1	19%	0.189	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.5	-179.8	63.5	0	0	0	0	110.3	I809 N810 K825	I809-S827 CarbonylContact O-C 3.57Å; I809-S827 WeakPolarHBondContact O-CA 3.38Å; I809-S827 VanDerWaalsContact O-CB 3.29Å; I809-S827 WeakPolarHBondContact O-CB 3.33Å; N810-S827 WeakPolarHBondContact OD1-CB 3.3Å; K825-S827 PolarHBondContact O-N 2.88Å
828	V	85.8	Confident	67.8	Low	4 Å²	4	70.9 Å²	70.9	2%	0.024	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.1	-177	168.8	0	0	0	0	108.7	L726 V729 I809 F811 L830	L726-V828 HydrophobicContact CD1-CG2 3.51Å; V729-V828 HydrophobicContact CG1-CG1 4.16Å; V729-V828 HydrophobicContact CG1-CG2 4.32Å; V729-V828 HydrophobicContact CG2-CG1 4.48Å; V729-V828 HydrophobicContact CG2-CG2 4.3Å; I809-V828 PolarHBondContact N-O 2.94Å; I809-V828 PolarHBondContact O-N 2.97Å; F811-V828 HydrophobicContact CE2-CB 4.28Å; F811-V828 HydrophobicContact CE2-CG2 3.81Å; F811-V828 HydrophobicContact CZ-CG2 4.45Å; V828-L830 HydrophobicContact CG1-CD2 3.82Å; V828-L830 HydrophobicContact CG1-CG 4.48Å
829	E	88.9	Confident	70	Confident	34 Å²	34	64.3 Å²	64.3	16%	0.159	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.6	173.2	-162.4	-180	116.3	0	0	109.7	I745 Q806 V807 N895	I745-E829 HydrophobicContact CD1-CG 3.94Å; Q806-E829 HydrophobicContact CB-CG 4.36Å; Q806-E829 PolarHBondContact NE2-OE1 2.79Å; V807-E829 WeakPolarHBondContact O-CA 3.47Å; E829-N895 WeakPolarHBondContact CG-ND2 3.15Å; E829-N895 PolarHBondContact OE1-ND2 2.94Å
830	L	91.4	Very high	72	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146	172	-56.6	-173.8	0	0	0	109.8	L723 F740 Q806 V807 I809 V828 I896 V898	L723-L830 HydrophobicContact CD1-CD1 4.34Å; F740-L830 HydrophobicContact CD1-CD1 4.01Å; F740-L830 HydrophobicContact CD2-CD1 4.37Å; F740-L830 HydrophobicContact CE1-CD1 3.7Å; F740-L830 HydrophobicContact CE2-CD1 4.08Å; F740-L830 HydrophobicContact CG-CD1 4.34Å; F740-L830 HydrophobicContact CZ-CD1 3.72Å; Q806-L830 CarbonylContact C-O 3.56Å; Q806-L830 WeakPolarHBondContact CA-O 3.47Å; V807-L830 PolarHBondContact N-O 3.48Å; V807-L830 PolarHBondContact O-N 3.46Å; I809-L830 HydrophobicContact CD1-CD1 3.45Å; I809-L830 VanDerWaalsContact CD1-CD1 3.45Å; I809-L830 HydrophobicContact CD1-CG 3.98Å; I809-L830 HydrophobicContact CG1-CD1 4.34Å; V828-L830 HydrophobicContact CG1-CD2 3.82Å; V828-L830 HydrophobicContact CG1-CG 4.48Å; L830-I896 HydrophobicContact CD2-CB 3.7Å; L830-I896 HydrophobicContact CD2-CD1 4.11Å; L830-I896 HydrophobicContact CD2-CG1 4.46Å; L830-I896 HydrophobicContact CD2-CG2 4Å; L830-V898 HydrophobicContact CD1-CG2 4.26Å
831	T	93.2	Very high	74.5	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.4	161.2	-61.1	0	0	0	0	108.6	E804 I896 Y897 V898	E804-T831 HydrophobicContact CG-CG2 3.52Å; E804-T831 VanDerWaalsContact OE1-CG2 3.3Å; E804-T831 WeakPolarHBondContact OE1-CG2 3.42Å; T831-I896 PolarHBondContact N-O 3.38Å; T831-Y897 HydrophobicContact CG2-CD2 3.52Å; T831-Y897 HydrophobicContact CG2-CE2 3.47Å; T831-Y897 VanDerWaalsContact CG2-CE2 3.47Å; T831-Y897 HydrophobicContact CG2-CG 4.42Å; T831-Y897 WeakPolarHBondContact O-CA 3.22Å; T831-V898 PolarHBondContact O-N 2.99Å
832	L	93.7	Very high	76.9	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.3	-178.7	180	65.2	0	0	0	110.1	F740 E804 V805 V807 M834 L866 V869 V898 E900	F740-L832 HydrophobicContact CZ-CD1 4.2Å; F740-L832 HydrophobicContact CZ-CD2 4.49Å; E804-L832 WeakPolarHBondContact CA-O 3.49Å; V805-L832 HydrophobicContact CG2-CB 3.98Å; V805-L832 HydrophobicContact CG2-CD2 4.36Å; V805-L832 HydrophobicContact CG2-CG 4.48Å; V805-L832 PolarHBondContact N-O 2.8Å; V805-L832 PolarHBondContact O-N 3.37Å; V807-L832 HydrophobicContact CG2-CB 3.86Å; V807-L832 HydrophobicContact CG2-CD2 3.99Å; L832-M834 HydrophobicContact CD2-CB 4.49Å; L832-M834 PolarHBondContact O-N 3.2Å; L832-L866 HydrophobicContact CD2-CD1 4.16Å; L832-V869 HydrophobicContact CD1-CG1 3.82Å; L832-V869 HydrophobicContact CD2-CG1 3.78Å; L832-V869 HydrophobicContact CD2-CG2 4.31Å; L832-V869 HydrophobicContact CG-CG1 4.47Å; L832-V898 WeakPolarHBondContact CA-O 3.42Å; L832-V898 HydrophobicContact CD1-CB 4.09Å; L832-V898 HydrophobicContact CD1-CG1 4.13Å; L832-E900 HydrophobicContact CD1-CB 4.06Å
833	N	91.7	Very high	79.1	Confident	17 Å²	17	40.5 Å²	40.5	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	102.9	159.6	-156	-92.2	0	0	0	107.8	V585 E802 L803 Y897 V898 I899 E900	V585-N833 HydrophobicContact CG2-CB 3.84Å; V585-N833 VanDerWaalsContact CG2-ND2 3.27Å; V585-N833 WeakPolarHBondContact CG2-ND2 3.39Å; E802-N833 WeakPolarHBondContact CG-ND2 3.33Å; E802-N833 PolarHBondContact OE1-ND2 3.08Å; L803-N833 CarbonylContact O-C 3.51Å; L803-N833 WeakPolarHBondContact O-CA 3.44Å; N833-Y897 HydrophobicContact CB-CE1 3.91Å; N833-Y897 PolarHBondContact ND2-OH 3.09Å; N833-V898 PolarHBondContact N-O 2.69Å; N833-I899 HydrophobicContact CB-CG2 4.39Å; N833-E900 WeakPolarHBondContact O-CB 3.44Å; N833-E900 PolarHBondContact O-N 3.27Å
834	M	89.5	Confident	81.4	Confident	4 Å²	4	41 Å²	41	2%	0.02	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.7	-171.1	-166.3	-158.5	-55.3	0	0	111	L744 L803 V805 L832 R838 L839 L842	L744-M834 HydrophobicContact CD1-CE 3.49Å; L744-M834 VanDerWaalsContact CD1-CE 3.49Å; L803-M834 HydrophobicContact CD2-CB 4.34Å; L803-M834 HydrophobicContact CD2-CE 3.8Å; L803-M834 HydrophobicContact CD2-SD 4.16Å; L803-M834 PolarHBondContact O-N 3.16Å; V805-M834 HydrophobicContact CB-CE 4.48Å; V805-M834 HydrophobicContact CG1-CE 3.87Å; V805-M834 HydrophobicContact CG2-CB 4.42Å; V805-M834 HydrophobicContact CG2-CE 3.86Å; L832-M834 HydrophobicContact CD2-CB 4.49Å; L832-M834 PolarHBondContact O-N 3.2Å; M834-R838 HydrophobicContact CG-CB 4.13Å; M834-R838 HydrophobicContact CG-CG 4.33Å; M834-R838 HydrophobicContact SD-CB 4.12Å; M834-R838 HydrophobicContact SD-CG 4.03Å; M834-L839 HydrophobicContact SD-CB 4.09Å; M834-L842 HydrophobicContact CE-CD1 4.08Å; M834-L842 HydrophobicContact SD-CD1 3.88Å
835	A	84.3	Confident	83.1	Confident	11 Å²	11	36.1 Å²	36.1	9%	0.091	19%	0.187	C	C	.	.			trans	-74.5	138.3	-178.8	0	0	0	0	0	111.3	W837 R838 L839 E900	A835-W837 VanDerWaalsContact CB-CD1 3.46Å; A835-W837 PolarHBondContact O-N 3.45Å; A835-R838 WeakPolarHBondContact O-CB 3.02Å; A835-R838 PolarHBondContact O-N 2.84Å; A835-L839 PolarHBondContact O-N 3.07Å; A835-E900 HydrophobicContact CB-CB 3.97Å; A835-E900 HydrophobicContact CB-CG 3.74Å; A835-E900 PolarHBondContact N-OE2 2.9Å
836	S	78.9	Confident	84	Confident	45 Å²	45	33.4 Å²	33.4	32%	0.315	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-25.3	-169	-38.5	0	0	0	0	113.8	C840	S836-C840 PolarHBondContact O-N 3.16Å; S836-C840 VanDerWaalsContact O-N 3.12Å; S836-C840 PolarHBondContact O-SG 3.37Å
837	W	78.9	Confident	83.8	Confident	56 Å²	56	35 Å²	35	21%	0.212	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-36.9	173.9	79	-86.8	0	0	0	112.4	A835 C840 K841 E900 D902 Q903	A835-W837 VanDerWaalsContact CB-CD1 3.46Å; A835-W837 PolarHBondContact O-N 3.45Å; W837-C840 WeakPolarHBondContact O-CB 3.48Å; W837-C840 PolarHBondContact O-N 2.73Å; W837-K841 HydrophobicContact CZ3-CD 3.81Å; W837-K841 PolarHBondContact O-N 2.68Å; W837-E900 WeakPolarHBondContact CZ2-OE1 3.15Å; W837-D902 VanDerWaalsContact CD1-OD1 3.24Å; W837-Q903 HydrophobicContact CD2-CB 4.1Å; W837-Q903 HydrophobicContact CE3-CB 4.34Å; W837-Q903 HydrophobicContact CH2-CB 3.87Å; W837-Q903 HydrophobicContact CH2-CG 3.62Å; W837-Q903 HydrophobicContact CZ2-CB 3.57Å; W837-Q903 HydrophobicContact CZ2-CG 3.38Å; W837-Q903 HydrophobicContact CZ3-CB 4.22Å; W837-Q903 HydrophobicContact CZ3-CG 4.39Å
838	R	85.5	Confident	83	Confident	9 Å²	9	36.9 Å²	36.9	3%	0.034	20%	0.203	C	C	.	.	H	α-helix	trans	-69.8	-43.5	180	-178.1	175.4	-63.6	-99.8	1	109.5	M834 A835 C840 K841 L842 D867 N868 E900	M834-R838 HydrophobicContact CG-CB 4.13Å; M834-R838 HydrophobicContact CG-CG 4.33Å; M834-R838 HydrophobicContact SD-CB 4.12Å; M834-R838 HydrophobicContact SD-CG 4.03Å; A835-R838 WeakPolarHBondContact O-CB 3.02Å; A835-R838 PolarHBondContact O-N 2.84Å; R838-C840 VanDerWaalsContact C-N 3.35Å; R838-C840 PolarHBondContact O-N 2.89Å; R838-K841 CarbonylContact O-C 3.6Å; R838-K841 WeakPolarHBondContact O-CA 3.48Å; R838-K841 WeakPolarHBondContact O-CB 3.35Å; R838-K841 PolarHBondContact O-N 3.46Å; R838-L842 HydrophobicContact CG-CD1 4.1Å; R838-L842 HydrophobicContact CG-CG 4.25Å; R838-L842 WeakPolarHBondContact O-CG 3.29Å; R838-L842 PolarHBondContact O-N 2.84Å; R838-D867 PolarHBondContact NH1-O 3.45Å; R838-D867 PolarHBondContact NH2-O 3.39Å; R838-N868 PolarHBondContact NH2-O 3.42Å; R838-E900 IonicContact CZ-OE1 2.66Å; R838-E900 IonicContact NE-OE1 3.74Å; R838-E900 PolarHBondContact NE-OE1 3.24Å; R838-E900 IonicContact NE-OE2 2.68Å; R838-E900 PolarHBondContact NE-OE2 3.24Å; R838-E900 IonicContact NH2-OE1 2.63Å; R838-E900 PolarHBondContact NH2-OE1 3.03Å
839	L	83.4	Confident	82.1	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-48.1	174.3	-178.1	61.1	0	0	0	112	L801 L803 M834 A835 K841 L842 L843 L850 L856 L861	L801-L839 HydrophobicContact CD2-CD2 3.39Å; L803-L839 HydrophobicContact CD2-CD1 3.83Å; L803-L839 HydrophobicContact CD2-CD2 3.94Å; L803-L839 HydrophobicContact CD2-CG 4.36Å; M834-L839 HydrophobicContact SD-CB 4.09Å; A835-L839 PolarHBondContact O-N 3.07Å; L839-K841 VanDerWaalsContact C-N 3.27Å; L839-K841 PolarHBondContact O-N 2.93Å; L839-L842 PolarHBondContact O-N 3.4Å; L839-L843 HydrophobicContact CD1-CD1 3.71Å; L839-L843 HydrophobicContact CD1-CG 4.29Å; L839-L843 HydrophobicContact CG-CD1 4.11Å; L839-L843 PolarHBondContact O-N 2.87Å; L839-L843 VanDerWaalsContact O-N 3.1Å; L839-L850 HydrophobicContact CD2-CD1 4.11Å; L839-L850 HydrophobicContact CD2-CD2 4.16Å; L839-L850 HydrophobicContact CG-CD1 4.16Å; L839-L856 HydrophobicContact CD1-CD2 4.05Å; L839-L856 HydrophobicContact CD2-CD1 3.81Å; L839-L856 HydrophobicContact CD2-CD2 3.96Å; L839-L856 HydrophobicContact CG-CD2 4.26Å; L839-L861 HydrophobicContact CD1-CD1 3.67Å; L839-L861 HydrophobicContact CD1-CD2 3.56Å; L839-L861 HydrophobicContact CD1-CG 4.27Å
840	C	80.6	Confident	81.1	Confident	8 Å²	8	39 Å²	39	5%	0.054	22%	0.215	C	C	.	.	H	α-helix	trans	-55.4	-41.9	173.2	-69	0	0	0	0	112.2	S836 W837 R838 N844 V845	S836-C840 PolarHBondContact O-N 3.16Å; S836-C840 VanDerWaalsContact O-N 3.12Å; S836-C840 PolarHBondContact O-SG 3.37Å; W837-C840 WeakPolarHBondContact O-CB 3.48Å; W837-C840 PolarHBondContact O-N 2.73Å; R838-C840 VanDerWaalsContact C-N 3.35Å; R838-C840 PolarHBondContact O-N 2.89Å; C840-N844 WeakPolarHBondContact O-CA 3.32Å; C840-N844 PolarHBondContact O-N 3.3Å; C840-V845 VanDerWaalsContact CB-O 3.31Å; C840-V845 WeakPolarHBondContact CB-O 3.12Å; C840-V845 PolarHBondContact O-N 3.26Å; C840-V845 VanDerWaalsContact O-N 3.07Å
841	K	85.2	Confident	79.8	Confident	129 Å²	129	41.9 Å²	41.9	56%	0.561	23%	0.23	S	C	*	.	H	α-helix	trans	-69.1	-38.1	177.8	-177.3	-175.5	171.6	-166	0	113.1	W837 R838 L839 L843	W837-K841 HydrophobicContact CZ3-CD 3.81Å; W837-K841 PolarHBondContact O-N 2.68Å; R838-K841 CarbonylContact O-C 3.6Å; R838-K841 WeakPolarHBondContact O-CA 3.48Å; R838-K841 WeakPolarHBondContact O-CB 3.35Å; R838-K841 PolarHBondContact O-N 3.46Å; L839-K841 VanDerWaalsContact C-N 3.27Å; L839-K841 PolarHBondContact O-N 2.93Å; K841-L843 VanDerWaalsContact C-N 3.33Å
842	L	85.4	Confident	78.2	Confident	25 Å²	25	47.7 Å²	47.7	13%	0.131	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-35.2	178.4	-71.2	171.6	0	0	0	112.3	M834 R838 L839 L861 R864 L866	M834-L842 HydrophobicContact CE-CD1 4.08Å; M834-L842 HydrophobicContact SD-CD1 3.88Å; R838-L842 HydrophobicContact CG-CD1 4.1Å; R838-L842 HydrophobicContact CG-CG 4.25Å; R838-L842 WeakPolarHBondContact O-CG 3.29Å; R838-L842 PolarHBondContact O-N 2.84Å; L839-L842 PolarHBondContact O-N 3.4Å; L842-L861 HydrophobicContact CB-CD2 4.37Å; L842-L861 HydrophobicContact CD1-CD2 4.45Å; L842-R864 HydrophobicContact CD2-CB 4.22Å; L842-R864 PolarHBondContact O-NH1 3.36Å; L842-L866 HydrophobicContact CD1-CD2 3.66Å; L842-L866 HydrophobicContact CD2-CD2 4.13Å; L842-L866 HydrophobicContact CG-CD2 4.49Å
843	L	82.4	Confident	76.2	Confident	36 Å²	36	51.9 Å²	51.9	19%	0.188	27%	0.274	C	S	.	.	H	α-helix	trans	-95.5	-4.1	-178.8	-63.4	174.1	0	0	0	113.6	L839 K841 V845 L850 L856 E860 L861	L839-L843 HydrophobicContact CD1-CD1 3.71Å; L839-L843 HydrophobicContact CD1-CG 4.29Å; L839-L843 HydrophobicContact CG-CD1 4.11Å; L839-L843 PolarHBondContact O-N 2.87Å; L839-L843 VanDerWaalsContact O-N 3.1Å; K841-L843 VanDerWaalsContact C-N 3.33Å; L843-V845 HydrophobicContact CB-CG2 3.97Å; L843-V845 PolarHBondContact O-N 3.47Å; L843-L850 HydrophobicContact CD1-CD1 4.18Å; L843-L856 HydrophobicContact CD1-CD2 3.41Å; L843-L856 VanDerWaalsContact CD1-CD2 3.41Å; L843-E860 HydrophobicContact CD2-CB 4.26Å; L843-L861 HydrophobicContact CD1-CD2 4.25Å; L843-L861 HydrophobicContact CD2-CD2 3.76Å; L843-L861 HydrophobicContact CD2-CG 4.49Å; L843-L861 HydrophobicContact CG-CD2 3.93Å
844	N	83.2	Confident	74	Confident	152 Å²	152	54.1 Å²	54.1	81%	0.813	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	26.5	-174.1	-75.2	-38.7	0	0	0	115.4	C840	C840-N844 WeakPolarHBondContact O-CA 3.32Å; C840-N844 PolarHBondContact O-N 3.3Å
845	V	77.9	Confident	72.4	Confident	33 Å²	33	55.6 Å²	55.6	20%	0.2	31%	0.308	C	S	.	.			trans	-105	158.6	178.2	-63.5	0	0	0	0	112.1	C840 L843 L850 E853	C840-V845 VanDerWaalsContact CB-O 3.31Å; C840-V845 WeakPolarHBondContact CB-O 3.12Å; C840-V845 PolarHBondContact O-N 3.26Å; C840-V845 VanDerWaalsContact O-N 3.07Å; L843-V845 HydrophobicContact CB-CG2 3.97Å; L843-V845 PolarHBondContact O-N 3.47Å; V845-L850 HydrophobicContact CG2-CB 4.21Å; V845-L850 HydrophobicContact CG2-CD1 3.74Å; V845-E853 WeakPolarHBondContact CG1-OE2 3.22Å
846	T	72.9	Confident	71.4	Confident	66 Å²	66	56.2 Å²	56.2	41%	0.405	31%	0.309	S	S	.	.			trans	-82.5	152.8	172.6	61.1	0	0	0	0	110.8	S848 N849 L850	T846-S848 PolarHBondContact O-N 2.94Å; T846-S848 VanDerWaalsContact O-N 3.08Å; T846-S848 PolarHBondContact OG1-OG 2.99Å; T846-N849 PolarHBondContact O-N 3.03Å; T846-N849 WeakPolarHBondContact OG1-CB 3.48Å; T846-N849 PolarHBondContact OG1-N 3.28Å; T846-N849 PolarHBondContact OG1-OD1 3.05Å; T846-L850 PolarHBondContact O-N 3.12Å
847	P	66.8	Low	71	Confident	66 Å²	66	56.9 Å²	56.9	43%	0.429	31%	0.309	S	S	.	.	H	α-helix	trans	-57.1	-26.1	174.4	-24.9	33.1	0	0	0	113.8
848	S	63.6	Low	70.7	Confident	65 Å²	65	54.6 Å²	54.6	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-86.3	-3.4	177.3	53	0	0	0	0	114.4	T846 K852	T846-S848 PolarHBondContact O-N 2.94Å; T846-S848 VanDerWaalsContact O-N 3.08Å; T846-S848 PolarHBondContact OG1-OG 2.99Å; S848-K852 VanDerWaalsContact O-CD 3.3Å; S848-K852 WeakPolarHBondContact O-CD 3.48Å; S848-K852 WeakPolarHBondContact O-CE 3.5Å; S848-K852 PolarHBondContact O-NZ 3.35Å
849	N	67.3	Low	70.3	Confident	64 Å²	64	60.9 Å²	60.9	34%	0.342	33%	0.332	S	S	.	.	H	α-helix	trans	-105.7	-38.6	168.9	-79.5	17.9	0	0	0	111.6	T846 L851 K852 E853	T846-N849 PolarHBondContact O-N 3.03Å; T846-N849 WeakPolarHBondContact OG1-CB 3.48Å; T846-N849 PolarHBondContact OG1-N 3.28Å; T846-N849 PolarHBondContact OG1-OD1 3.05Å; N849-L851 PolarHBondContact O-N 3Å; N849-K852 WeakPolarHBondContact O-CA 3.44Å; N849-K852 WeakPolarHBondContact O-CB 2.99Å; N849-K852 PolarHBondContact O-N 3.33Å; N849-E853 PolarHBondContact O-N 2.73Å
850	L	68.4	Low	70	Confident	19 Å²	19	65.7 Å²	65.7	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-49.2	-34	174.7	-170.7	84.7	0	0	0	113.5	L801 L839 L843 V845 T846 L856	L801-L850 HydrophobicContact CD2-CD2 3.83Å; L839-L850 HydrophobicContact CD2-CD1 4.11Å; L839-L850 HydrophobicContact CD2-CD2 4.16Å; L839-L850 HydrophobicContact CG-CD1 4.16Å; L843-L850 HydrophobicContact CD1-CD1 4.18Å; V845-L850 HydrophobicContact CG2-CB 4.21Å; V845-L850 HydrophobicContact CG2-CD1 3.74Å; T846-L850 PolarHBondContact O-N 3.12Å; L850-L856 HydrophobicContact CD1-CD2 4.08Å
851	L	64	Low	70.1	Confident	61 Å²	61	65.4 Å²	65.4	32%	0.319	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	1.5	178.8	-68	169.5	0	0	0	114.5	L664 V754 Q799 N849	L664-L851 HydrophobicContact CD2-CD1 3.97Å; V754-L851 HydrophobicContact CG1-CD2 4.37Å; Q799-L851 HydrophobicContact CB-CD1 4.01Å; Q799-L851 HydrophobicContact CB-CD2 3.79Å; N849-L851 PolarHBondContact O-N 3Å
852	K	58.1	Low	70.1	Confident	134 Å²	134	61.6 Å²	61.6	58%	0.583	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-31.4	177.9	-63.4	178.5	-172	138.8	0	112.6	S848 N849	S848-K852 VanDerWaalsContact O-CD 3.3Å; S848-K852 WeakPolarHBondContact O-CD 3.48Å; S848-K852 WeakPolarHBondContact O-CE 3.5Å; S848-K852 PolarHBondContact O-NZ 3.35Å; N849-K852 WeakPolarHBondContact O-CA 3.44Å; N849-K852 WeakPolarHBondContact O-CB 2.99Å; N849-K852 PolarHBondContact O-N 3.33Å
853	E	52.9	Low	70.2	Confident	89 Å²	89	66.6 Å²	66.6	42%	0.416	37%	0.367	S	S	.	.	S	Bend	trans	-68.6	128.5	175.7	-75.5	156.2	-164	0	0	108.9	V845 N849 G855	V845-E853 WeakPolarHBondContact CG1-OE2 3.22Å; N849-E853 PolarHBondContact O-N 2.73Å; E853-G855 PolarHBondContact O-N 2.97Å
854	S	45.6	Very low	70.5	Confident	64 Å²	64	69.7 Å²	69.7	45%	0.448	38%	0.376	S	S	.	.	S	Bend	trans	-83.3	85.7	-167.3	50	0	0	0	0	111.3
855	G	55.2	Low	70.8	Confident	35 Å²	35	66.8 Å²	66.8	36%	0.361	36%	0.357	S	S	.	.			trans	105.3	126.7	176.3	0	0	0	0	0	113.1	E853 N857	E853-G855 PolarHBondContact O-N 2.97Å; G855-N857 PolarHBondContact O-N 3.01Å
856	L	62.9	Low	71.5	Confident	23 Å²	23	65.2 Å²	65.2	12%	0.12	35%	0.348	C	S	.	.			trans	-80	104.8	166.3	-94.1	159.6	0	0	0	108.4	V19 L801 L839 L843 L850 A858	V19-L856 HydrophobicContact CG1-CB 3.92Å; L801-L856 HydrophobicContact CD1-CD1 4.25Å; L801-L856 HydrophobicContact CD2-CD1 3.82Å; L839-L856 HydrophobicContact CD1-CD2 4.05Å; L839-L856 HydrophobicContact CD2-CD1 3.81Å; L839-L856 HydrophobicContact CD2-CD2 3.96Å; L839-L856 HydrophobicContact CG-CD2 4.26Å; L843-L856 HydrophobicContact CD1-CD2 3.41Å; L843-L856 VanDerWaalsContact CD1-CD2 3.41Å; L850-L856 HydrophobicContact CD1-CD2 4.08Å; L856-A858 PolarHBondContact O-N 2.98Å
857	N	70.9	Confident	72.2	Confident	60 Å²	60	67 Å²	67	32%	0.321	36%	0.355	S	S	.	.			trans	-66.5	103	175	-177.8	2.5	0	0	0	110.1	G855 Q859 E860	G855-N857 PolarHBondContact O-N 3.01Å; N857-Q859 PolarHBondContact O-N 2.94Å; N857-Q859 VanDerWaalsContact O-N 3.14Å; N857-Q859 WeakPolarHBondContact OD1-CB 3.18Å; N857-Q859 PolarHBondContact OD1-N 2.98Å; N857-Q859 VanDerWaalsContact OD1-N 3.13Å; N857-E860 HydrophobicContact CB-CG 4.22Å; N857-E860 WeakPolarHBondContact CB-OE1 3.36Å; N857-E860 PolarHBondContact ND2-OE1 3.08Å; N857-E860 PolarHBondContact O-N 2.86Å; N857-E860 VanDerWaalsContact O-N 3.15Å
858	A	72.8	Confident	73.1	Confident	8 Å²	8	66.7 Å²	66.7	7%	0.066	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.1	-178.5	0	0	0	0	0	112.9	I21 V747 T749 L856 E860 L861 V862	I21-A858 HydrophobicContact CD1-CB 3.98Å; I21-A858 HydrophobicContact CG1-CB 4.12Å; V747-A858 HydrophobicContact CB-CB 4Å; V747-A858 HydrophobicContact CG2-CB 4.04Å; T749-A858 HydrophobicContact CG2-CB 4.4Å; L856-A858 PolarHBondContact O-N 2.98Å; A858-E860 VanDerWaalsContact C-N 3.32Å; A858-E860 PolarHBondContact O-N 3.2Å; A858-L861 PolarHBondContact O-N 3.33Å; A858-V862 PolarHBondContact O-N 3.02Å
859	Q	76.5	Confident	74.3	Confident	140 Å²	140	63.6 Å²	63.6	65%	0.654	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-67.8	-29.6	-178.3	-59.5	-174.2	-1.2	0	0	112.8	N857 L861 V862	N857-Q859 PolarHBondContact O-N 2.94Å; N857-Q859 VanDerWaalsContact O-N 3.14Å; N857-Q859 WeakPolarHBondContact OD1-CB 3.18Å; N857-Q859 PolarHBondContact OD1-N 2.98Å; N857-Q859 VanDerWaalsContact OD1-N 3.13Å; Q859-L861 PolarHBondContact O-N 2.7Å; Q859-V862 PolarHBondContact O-N 3.31Å
860	E	78.6	Confident	75.4	Confident	103 Å²	103	61.2 Å²	61.2	48%	0.481	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-71.1	-14.4	178.6	-73.2	170.3	-139	0	0	113.7	L843 N857 A858 R864	L843-E860 HydrophobicContact CD2-CB 4.26Å; N857-E860 HydrophobicContact CB-CG 4.22Å; N857-E860 WeakPolarHBondContact CB-OE1 3.36Å; N857-E860 PolarHBondContact ND2-OE1 3.08Å; N857-E860 PolarHBondContact O-N 2.86Å; N857-E860 VanDerWaalsContact O-N 3.15Å; A858-E860 VanDerWaalsContact C-N 3.32Å; A858-E860 PolarHBondContact O-N 3.2Å; E860-R864 PolarHBondContact O-NE 2.79Å; E860-R864 PolarHBondContact O-NH2 3.37Å
861	L	81.2	Confident	76.4	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-25.6	177.5	-60.8	174.6	0	0	0	112.5	L744 V747 L803 L839 L842 L843 A858 Q859 R864	L744-L861 HydrophobicContact CD1-CB 4Å; L744-L861 HydrophobicContact CD2-CB 4.38Å; V747-L861 HydrophobicContact CG2-CB 4.12Å; V747-L861 HydrophobicContact CG2-CD1 3.99Å; L803-L861 HydrophobicContact CD2-CD1 4.2Å; L839-L861 HydrophobicContact CD1-CD1 3.67Å; L839-L861 HydrophobicContact CD1-CD2 3.56Å; L839-L861 HydrophobicContact CD1-CG 4.27Å; L842-L861 HydrophobicContact CB-CD2 4.37Å; L842-L861 HydrophobicContact CD1-CD2 4.45Å; L843-L861 HydrophobicContact CD1-CD2 4.25Å; L843-L861 HydrophobicContact CD2-CD2 3.76Å; L843-L861 HydrophobicContact CD2-CG 4.49Å; L843-L861 HydrophobicContact CG-CD2 3.93Å; A858-L861 PolarHBondContact O-N 3.33Å; Q859-L861 PolarHBondContact O-N 2.7Å; L861-R864 VanDerWaalsContact O-CB 3.26Å; L861-R864 WeakPolarHBondContact O-CB 3.15Å; L861-R864 WeakPolarHBondContact O-CG 3.08Å; L861-R864 PolarHBondContact O-N 3.41Å
862	V	85.8	Confident	77.7	Confident	50 Å²	50	57.4 Å²	57.4	30%	0.303	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	143.8	177.5	177.8	0	0	0	0	110.2	A858 Q859 R864	A858-V862 PolarHBondContact O-N 3.02Å; Q859-V862 PolarHBondContact O-N 3.31Å; V862-R864 PolarHBondContact O-N 2.66Å; V862-R864 VanDerWaalsContact O-N 3.15Å
863	N	86.7	Confident	79.3	Confident	130 Å²	130	51.1 Å²	51.1	70%	0.695	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	7.7	-172.4	-59.3	-50.7	0	0	0	115.5	L744	L744-N863 PolarHBondContact O-N 3.2Å
864	R	88.8	Confident	81.1	Confident	101 Å²	101	46.9 Å²	46.9	38%	0.381	25%	0.248	S	C	.	.			trans	-71.2	133.8	169.2	-63	-65.9	-174.7	138.8	8.9	110.3	L744 L842 E860 L861 V862	L744-R864 PolarHBondContact N-O 3.09Å; L842-R864 HydrophobicContact CD2-CB 4.22Å; L842-R864 PolarHBondContact O-NH1 3.36Å; E860-R864 PolarHBondContact O-NE 2.79Å; E860-R864 PolarHBondContact O-NH2 3.37Å; L861-R864 VanDerWaalsContact O-CB 3.26Å; L861-R864 WeakPolarHBondContact O-CB 3.15Å; L861-R864 WeakPolarHBondContact O-CG 3.08Å; L861-R864 PolarHBondContact O-N 3.41Å; V862-R864 PolarHBondContact O-N 2.66Å; V862-R864 VanDerWaalsContact O-N 3.15Å
865	H	90.7	Very high	83.1	Confident	91 Å²	91	46.2 Å²	46.2	42%	0.421	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.4	170.8	-159.1	63.9	0	0	0	111	G742 T743 D867	G742-H865 PolarHBondContact O-ND1 3.3Å; T743-H865 PolarHBondContact OG1-ND1 2.73Å; H865-D867 IonicContact CD2-OD1 2.81Å; H865-D867 PolarHBondContact CD2-OD1 3.44Å; H865-D867 IonicContact NE2-OD1 2.89Å
866	L	91	Very high	84.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	91.5	-176.9	-52.8	-178.4	0	0	0	109	S741 G742 L744 V807 L832 L842 V869	S741-L866 VanDerWaalsContact CA-O 3.28Å; S741-L866 WeakPolarHBondContact CA-O 3.22Å; G742-L866 PolarHBondContact N-O 3Å; G742-L866 WeakPolarHBondContact O-CB 3.4Å; G742-L866 PolarHBondContact O-N 2.87Å; L744-L866 HydrophobicContact CB-CD1 4.19Å; L744-L866 HydrophobicContact CB-CD2 4.49Å; L744-L866 HydrophobicContact CB-CG 4.35Å; L744-L866 HydrophobicContact CD1-CD2 4.42Å; V807-L866 HydrophobicContact CB-CD1 4.47Å; V807-L866 HydrophobicContact CG1-CD1 3.99Å; V807-L866 HydrophobicContact CG2-CD1 3.59Å; L832-L866 HydrophobicContact CD2-CD1 4.16Å; L842-L866 HydrophobicContact CD1-CD2 3.66Å; L842-L866 HydrophobicContact CD2-CD2 4.13Å; L842-L866 HydrophobicContact CG-CD2 4.49Å; L866-V869 HydrophobicContact CB-CG2 3.7Å; L866-V869 HydrophobicContact CD1-CG2 4.47Å
867	D	87.8	Confident	85.1	Confident	102 Å²	102	46.4 Å²	46.4	55%	0.545	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.8	178.6	-63	-69	0	0	0	112.6	R838 H865 V869	R838-D867 PolarHBondContact NH1-O 3.45Å; R838-D867 PolarHBondContact NH2-O 3.39Å; H865-D867 IonicContact CD2-OD1 2.81Å; H865-D867 PolarHBondContact CD2-OD1 3.44Å; H865-D867 IonicContact NE2-OD1 2.89Å; D867-V869 PolarHBondContact O-N 2.94Å
868	N	86.2	Confident	84.5	Confident	60 Å²	60	51.5 Å²	51.5	32%	0.321	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45.3	61.3	170.4	-169.3	12.9	0	0	0	112	S739 F740 S741 R838 I870	S739-N868 PolarHBondContact OG-OD1 3.38Å; F740-N868 CarbonylContact O-C 3.59Å; F740-N868 WeakPolarHBondContact O-CA 3.4Å; F740-N868 PolarHBondContact O-N 2.76Å; S741-N868 PolarHBondContact OG-N 3.4Å; R838-N868 PolarHBondContact NH2-O 3.42Å; N868-I870 WeakPolarHBondContact OD1-CG1 3.3Å
869	V	90	Very high	83.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	127	165	-178	0	0	0	0	107.1	S739 F740 L832 L866 D867 E900	S739-V869 VanDerWaalsContact CA-O 3.26Å; S739-V869 WeakPolarHBondContact CA-O 3.25Å; F740-V869 HydrophobicContact CD1-CB 4.49Å; F740-V869 HydrophobicContact CD2-CB 4.1Å; F740-V869 HydrophobicContact CD2-CG2 4.42Å; F740-V869 HydrophobicContact CE1-CB 4.19Å; F740-V869 HydrophobicContact CE1-CG1 3.97Å; F740-V869 HydrophobicContact CE2-CB 3.78Å; F740-V869 HydrophobicContact CE2-CG1 4Å; F740-V869 HydrophobicContact CE2-CG2 4.01Å; F740-V869 HydrophobicContact CG-CB 4.45Å; F740-V869 HydrophobicContact CZ-CB 3.83Å; F740-V869 HydrophobicContact CZ-CG1 3.58Å; F740-V869 HydrophobicContact CZ-CG2 4.44Å; F740-V869 PolarHBondContact N-O 3.01Å; F740-V869 PolarHBondContact O-N 3.4Å; L832-V869 HydrophobicContact CD1-CG1 3.82Å; L832-V869 HydrophobicContact CD2-CG1 3.78Å; L832-V869 HydrophobicContact CD2-CG2 4.31Å; L832-V869 HydrophobicContact CG-CG1 4.47Å; L866-V869 HydrophobicContact CB-CG2 3.7Å; L866-V869 HydrophobicContact CD1-CG2 4.47Å; D867-V869 PolarHBondContact O-N 2.94Å; V869-E900 HydrophobicContact CG1-CG 4.35Å
870	I	89.1	Confident	82.3	Confident	15 Å²	15	53.5 Å²	53.5	8%	0.077	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	172	-61.5	-166.7	0	0	0	108.5	Y717 Y720 I737 V738 N868 L901	Y717-I870 HydrophobicContact CD1-CD1 3.39Å; Y717-I870 HydrophobicContact CE1-CD1 3.34Å; Y720-I870 HydrophobicContact CD1-CD1 3.84Å; Y720-I870 HydrophobicContact CE1-CD1 3.87Å; I737-I870 HydrophobicContact CG2-CG2 3.57Å; V738-I870 VanDerWaalsContact O-CA 3.29Å; V738-I870 WeakPolarHBondContact O-CA 3.33Å; N868-I870 WeakPolarHBondContact OD1-CG1 3.3Å; I870-L901 HydrophobicContact CG2-CD1 4.39Å; I870-L901 PolarHBondContact O-N 2.9Å
871	G	90.2	Very high	80.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	166.1	-174.1	0	0	0	0	0	114.9	I737 V738 I899	I737-G871 WeakPolarHBondContact CA-O 3.19Å; V738-G871 PolarHBondContact N-O 3.38Å; V738-G871 PolarHBondContact O-N 3.5Å; G871-I899 CarbonylContact C-O 3.58Å; G871-I899 WeakPolarHBondContact CA-O 2.99Å
872	I	91.2	Very high	79.1	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.7	175.1	-56.8	168	0	0	0	108.4	V576 L577 Y622 L634 I737 V874 V898 I899 L901	V576-I872 HydrophobicContact CG1-CD1 4.05Å; L577-I872 HydrophobicContact CB-CD1 4.33Å; L577-I872 HydrophobicContact CD2-CD1 4.22Å; Y622-I872 HydrophobicContact CD2-CD1 3.93Å; Y622-I872 HydrophobicContact CE1-CG2 4.36Å; Y622-I872 HydrophobicContact CE2-CD1 4.42Å; Y622-I872 HydrophobicContact CG-CD1 3.98Å; L634-I872 HydrophobicContact CD2-CB 4.32Å; L634-I872 HydrophobicContact CD2-CD1 3.93Å; L634-I872 HydrophobicContact CD2-CG1 3.79Å; L634-I872 HydrophobicContact CD2-CG2 3.61Å; I737-I872 HydrophobicContact CG1-CG1 4.49Å; I872-V874 HydrophobicContact CB-CG1 4.47Å; I872-V874 HydrophobicContact CG2-CG1 3.84Å; I872-V874 PolarHBondContact O-N 2.94Å; I872-V898 CarbonylContact O-C 3.56Å; I872-V898 WeakPolarHBondContact O-CA 3.18Å; I872-I899 PolarHBondContact N-O 2.7Å; I872-I899 PolarHBondContact O-N 2.79Å; I872-L901 HydrophobicContact CD1-CD2 3.88Å; I872-L901 HydrophobicContact CG1-CD1 4.26Å; I872-L901 HydrophobicContact CG1-CD2 4.05Å; I872-L901 HydrophobicContact CG1-CG 4.38Å
873	V	91.9	Very high	77.3	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.2	168.8	-178.4	0	0	0	0	108.9	L732 H735 Q736 V738 I876 I896 V898	L732-V873 HydrophobicContact CD1-CG2 4.5Å; L732-V873 HydrophobicContact CD2-CG2 4.47Å; H735-V873 WeakPolarHBondContact CA-O 3.12Å; H735-V873 PolarHBondContact N-O 3.36Å; Q736-V873 PolarHBondContact O-N 2.94Å; V738-V873 HydrophobicContact CB-CG2 4.46Å; V738-V873 HydrophobicContact CG1-CG2 3.61Å; V738-V873 HydrophobicContact CG2-CG2 3.95Å; V873-I876 HydrophobicContact CG1-CD1 3.96Å; V873-I876 HydrophobicContact CG1-CG1 3.63Å; V873-I896 HydrophobicContact CG1-CG2 3.96Å; V873-V898 HydrophobicContact CG2-CG2 4.26Å
874	V	89.6	Confident	75.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-9.9	180	-63.9	0	0	0	0	114.7	I588 I589 Y622 V734 I872 Y897 I899	I588-V874 HydrophobicContact CG2-CG2 4.28Å; I589-V874 HydrophobicContact CD1-CG1 4.46Å; I589-V874 HydrophobicContact CG1-CB 4.05Å; I589-V874 HydrophobicContact CG1-CG1 4.05Å; I589-V874 HydrophobicContact CG1-CG2 4.47Å; Y622-V874 HydrophobicContact CE2-CG1 4.44Å; Y622-V874 WeakPolarHBondContact OH-CG1 3.43Å; V734-V874 WeakPolarHBondContact CG1-O 3.43Å; I872-V874 HydrophobicContact CB-CG1 4.47Å; I872-V874 HydrophobicContact CG2-CG1 3.84Å; I872-V874 PolarHBondContact O-N 2.94Å; V874-Y897 HydrophobicContact CG2-CD1 3.61Å; V874-Y897 HydrophobicContact CG2-CE1 4.37Å; V874-Y897 HydrophobicContact CG2-CG 4.36Å; V874-Y897 PolarHBondContact N-O 3.08Å; V874-I899 HydrophobicContact CB-CD1 4.27Å; V874-I899 HydrophobicContact CG1-CD1 3.44Å; V874-I899 VanDerWaalsContact CG1-CD1 3.44Å; V874-I899 HydrophobicContact CG1-CG1 4.16Å; V874-I899 HydrophobicContact CG2-CD1 3.87Å; V874-I899 HydrophobicContact CG2-CG1 3.86Å
875	H	88.2	Confident	72.9	Confident	51 Å²	51	56.7 Å²	56.7	24%	0.236	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.8	166.9	-177.4	83.6	0	0	0	110.2	I588 L893 I896 Y897	I588-H875 HydrophobicContact CG2-CB 4.11Å; H875-L893 HydrophobicContact CB-CD1 4.46Å; H875-I896 WeakPolarHBondContact O-CA 3.1Å; H875-Y897 PolarHBondContact N-O 2.91Å; H875-Y897 PolarHBondContact O-N 2.88Å
876	I	85	Confident	70.6	Confident	43 Å²	43	54.4 Å²	54.4	22%	0.221	29%	0.288	C	S	.	.			trans	-131.8	122.6	169.1	-59.9	176.7	0	0	0	106.3	L732 V734 V873 V880 I896	L732-I876 HydrophobicContact CB-CD1 3.77Å; L732-I876 WeakPolarHBondContact O-CD1 3.18Å; V734-I876 HydrophobicContact CG2-CD1 4.45Å; V734-I876 HydrophobicContact CG2-CG1 4.45Å; V873-I876 HydrophobicContact CG1-CD1 3.96Å; V873-I876 HydrophobicContact CG1-CG1 3.63Å; I876-V880 HydrophobicContact CG2-CG2 4.43Å; I876-I896 HydrophobicContact CG1-CG1 4.47Å; I876-I896 HydrophobicContact CG1-CG2 4.42Å; I876-I896 HydrophobicContact CG2-CG1 4.23Å
877	P	75.4	Confident	68.1	Low	18 Å²	18	62.4 Å²	62.4	12%	0.117	33%	0.325	C	S	.	.			trans	-70.4	146.2	178.8	29.6	-34.9	0	0	0	110.5	K879 V880	P877-K879 PolarHBondContact O-N 2.96Å; P877-V880 HydrophobicContact CG-CG2 4.44Å
878	N	58.5	Low	65.5	Low	167 Å²	167	64.6 Å²	64.6	89%	0.893	34%	0.337	S	S	*	.	S	Bend	trans	-59.5	-12.7	-178.4	-76.5	-41.4	0	0	0	114.6
879	K	51.1	Low	62.9	Low	144 Å²	144	64.7 Å²	64.7	63%	0.626	34%	0.341	S	S	*	.	S	Bend	trans	-138.2	119.5	163	-69.8	-177.9	179.7	176.8	0	108.4	P877 F881	P877-K879 PolarHBondContact O-N 2.96Å; K879-F881 HydrophobicContact CB-CD2 4.2Å; K879-F881 HydrophobicContact CB-CE1 4.39Å; K879-F881 HydrophobicContact CB-CE2 3.69Å; K879-F881 HydrophobicContact CB-CZ 3.81Å; K879-F881 HydrophobicContact CD-CE1 4.26Å; K879-F881 HydrophobicContact CD-CZ 3.89Å; K879-F881 HydrophobicContact CG-CZ 4.49Å; K879-F881 WeakPolarHBondContact O-CD2 3.3Å; K879-F881 PolarHBondContact O-N 2.84Å
880	V	50.5	Low	60.3	Low	47 Å²	47	72.2 Å²	72.2	29%	0.285	38%	0.382	S	S	.	.			trans	-79.2	110	164.4	-178	0	0	0	0	106.9	V729 I876 P877 I896	V729-V880 HydrophobicContact CG1-CG1 4.26Å; I876-V880 HydrophobicContact CG2-CG2 4.43Å; P877-V880 HydrophobicContact CG-CG2 4.44Å; V880-I896 HydrophobicContact CG1-CD1 4.47Å; V880-I896 HydrophobicContact CG2-CD1 3.96Å; V880-I896 HydrophobicContact CG2-CG1 4.21Å
881	F	44.1	Very low	58	Low	86 Å²	86	77.3 Å²	77.3	38%	0.377	41%	0.409	S	S	.	.			trans	-86.1	132.5	178.3	-66.8	-87.4	0	0	0	110.1	K879 N885 V886	K879-F881 HydrophobicContact CB-CD2 4.2Å; K879-F881 HydrophobicContact CB-CE1 4.39Å; K879-F881 HydrophobicContact CB-CE2 3.69Å; K879-F881 HydrophobicContact CB-CZ 3.81Å; K879-F881 HydrophobicContact CD-CE1 4.26Å; K879-F881 HydrophobicContact CD-CZ 3.89Å; K879-F881 HydrophobicContact CG-CZ 4.49Å; K879-F881 WeakPolarHBondContact O-CD2 3.3Å; K879-F881 PolarHBondContact O-N 2.84Å; F881-N885 HydrophobicContact CD1-CB 4.27Å; F881-V886 HydrophobicContact CB-CG2 4.44Å
882	P	48.7	Very low	56	Low	75 Å²	75	85.3 Å²	85.3	49%	0.487	44%	0.441	S	S	.	.			trans	-63.2	147.7	160.6	29.3	-33.2	0	0	0	109.2	D884 N885	P882-D884 PolarHBondContact O-N 2.84Å; P882-N885 PolarHBondContact O-N 3.32Å
883	V	48.7	Very low	54.3	Low	56 Å²	56	86.7 Å²	86.7	34%	0.339	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-50.6	-33.4	-165.7	-175.9	0	0	0	0	113.8	L808 N885 V886	L808-V883 HydrophobicContact CD1-CG2 4.2Å; V883-N885 PolarHBondContact O-N 3.09Å; V883-V886 WeakPolarHBondContact O-CG2 3.41Å
884	D	43	Very low	52.8	Low	123 Å²	123	91.1 Å²	91.1	66%	0.658	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-60.5	-7.4	-178.5	-63.2	-20.5	0	0	0	115.7	H824 P882	H824-D884 IonicContact CE1-OD2 3.9Å; H824-D884 IonicContact ND1-OD2 2.83Å; H824-D884 PolarHBondContact ND1-OD2 3.47Å; P882-D884 PolarHBondContact O-N 2.84Å
885	N	40.1	Very low	52.3	Low	112 Å²	112	91.8 Å²	91.8	60%	0.599	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-125	9.9	-173.6	-76.1	-72.6	0	0	0	116.4	F881 P882 V883 Q887	F881-N885 HydrophobicContact CD1-CB 4.27Å; P882-N885 PolarHBondContact O-N 3.32Å; V883-N885 PolarHBondContact O-N 3.09Å; N885-Q887 VanDerWaalsContact C-N 3.34Å; N885-Q887 PolarHBondContact O-N 3.2Å
886	V	41.9	Very low	52.3	Low	42 Å²	42	89.4 Å²	89.4	26%	0.255	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-73.1	-10.1	-161.3	174.9	0	0	0	0	116.1	F881 V883 N888 R894	F881-V886 HydrophobicContact CB-CG2 4.44Å; V883-V886 WeakPolarHBondContact O-CG2 3.41Å; V886-N888 PolarHBondContact O-N 3.2Å; V886-R894 PolarHBondContact O-NH1 3.5Å
887	Q	39.6	Very low	52.7	Low	169 Å²	169	87.4 Å²	87.4	79%	0.79	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-69.4	-34.1	-162.5	-72.7	-176.5	-25.1	0	0	116.9	N885 R894	N885-Q887 VanDerWaalsContact C-N 3.34Å; N885-Q887 PolarHBondContact O-N 3.2Å; Q887-R894 PolarHBondContact O-NH1 3.05Å
888	N	33.2	Very low	53.5	Low	147 Å²	147	86.6 Å²	86.6	79%	0.786	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-105.5	15.1	-154.6	-75.5	-2	0	0	0	119.4	V886	V886-N888 PolarHBondContact O-N 3.2Å
889	C	31.7	Very low	55.1	Low	62 Å²	62	79 Å²	79	42%	0.419	40%	0.401	S	S	.	.			trans	-120.4	121.8	178.9	-69.7	0	0	0	0	113.5	D891 R894	C889-D891 VanDerWaalsContact C-N 3.28Å; C889-D891 PolarHBondContact O-N 3.14Å; C889-R894 PolarHBondContact O-NE 2.9Å; C889-R894 PolarHBondContact O-NH2 3.47Å
890	N	34.9	Very low	57	Low	158 Å²	158	72.5 Å²	72.5	85%	0.845	37%	0.373	S	S	*	.			trans	-80.9	13.2	-173.4	-81.5	-1.1	0	0	0	116.4
891	D	41.1	Very low	58.6	Low	123 Å²	123	70.9 Å²	70.9	66%	0.658	36%	0.362	S	S	*	.			trans	-69.5	136.1	174.4	-65.8	-48	0	0	0	111.6	C889 L893 R894	C889-D891 VanDerWaalsContact C-N 3.28Å; C889-D891 PolarHBondContact O-N 3.14Å; D891-L893 PolarHBondContact O-N 2.69Å; D891-L893 VanDerWaalsContact O-N 3.15Å; D891-R894 WeakPolarHBondContact O-CG 3.36Å
892	Y	48.7	Very low	59.7	Low	167 Å²	167	68.4 Å²	68.4	66%	0.655	35%	0.353	S	S	*	.	S	Bend	trans	-72	-6.1	-171.9	-164.6	-129.7	0	0	0	114.3	R751	R751-Y892 WeakPolarHBondContact CG-OH 3.33Å
893	L	55.5	Low	60.2	Low	29 Å²	29	68 Å²	68	15%	0.152	35%	0.345	C	S	.	.			trans	-131.2	79.9	176	-69.8	172.9	0	0	0	109.5	I588 H875 D891 N895 Y897	I588-L893 HydrophobicContact CG1-CD1 4.33Å; I588-L893 HydrophobicContact CG2-CD1 4.11Å; H875-L893 HydrophobicContact CB-CD1 4.46Å; D891-L893 PolarHBondContact O-N 2.69Å; D891-L893 VanDerWaalsContact O-N 3.15Å; L893-N895 VanDerWaalsContact C-N 3.3Å; L893-N895 PolarHBondContact O-N 2.99Å; L893-Y897 HydrophobicContact CD2-CD2 3.8Å; L893-Y897 HydrophobicContact CD2-CE2 4.34Å
894	R	59.2	Low	60.3	Low	94 Å²	94	66.4 Å²	66.4	36%	0.355	33%	0.334	S	S	.	.			trans	-72.4	-21	179.4	-63.2	-171.2	-176.6	-169.2	2.8	113.9	V886 Q887 C889 D891	V886-R894 PolarHBondContact O-NH1 3.5Å; Q887-R894 PolarHBondContact O-NH1 3.05Å; C889-R894 PolarHBondContact O-NE 2.9Å; C889-R894 PolarHBondContact O-NH2 3.47Å; D891-R894 WeakPolarHBondContact O-CG 3.36Å
895	N	79.1	Confident	60.2	Low	14 Å²	14	69.6 Å²	69.6	8%	0.075	34%	0.342	C	S	.	.	S	Bend	trans	-117.9	165.2	-170.5	-59.2	-13.4	0	0	0	111.8	E829 L893 Y897	E829-N895 WeakPolarHBondContact CG-ND2 3.15Å; E829-N895 PolarHBondContact OE1-ND2 2.94Å; L893-N895 VanDerWaalsContact C-N 3.3Å; L893-N895 PolarHBondContact O-N 2.99Å; N895-Y897 PolarHBondContact O-N 2.92Å
896	I	88.9	Confident	59.9	Low	2 Å²	2	68.4 Å²	68.4	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.8	166.7	-65	165.5	0	0	0	108.8	V729 L732 L830 T831 V873 H875 I876 V880 V898	V729-I896 HydrophobicContact CG1-CD1 3.56Å; L732-I896 HydrophobicContact CD1-CD1 4.21Å; L830-I896 HydrophobicContact CD2-CB 3.7Å; L830-I896 HydrophobicContact CD2-CD1 4.11Å; L830-I896 HydrophobicContact CD2-CG1 4.46Å; L830-I896 HydrophobicContact CD2-CG2 4Å; T831-I896 PolarHBondContact N-O 3.38Å; V873-I896 HydrophobicContact CG1-CG2 3.96Å; H875-I896 WeakPolarHBondContact O-CA 3.1Å; I876-I896 HydrophobicContact CG1-CG1 4.47Å; I876-I896 HydrophobicContact CG1-CG2 4.42Å; I876-I896 HydrophobicContact CG2-CG1 4.23Å; V880-I896 HydrophobicContact CG1-CD1 4.47Å; V880-I896 HydrophobicContact CG2-CD1 3.96Å; V880-I896 HydrophobicContact CG2-CG1 4.21Å; I896-V898 HydrophobicContact CG2-CG2 4.25Å
897	Y	92.2	Very high	59.1	Low	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.6	-179.6	-159.5	-74.8	0	0	0	111.3	V585 I588 E804 T831 N833 V874 H875 L893 N895 I899	V585-Y897 HydrophobicContact CG2-CE1 4.11Å; I588-Y897 HydrophobicContact CD1-CD1 4.05Å; I588-Y897 HydrophobicContact CD1-CD2 3.67Å; I588-Y897 HydrophobicContact CD1-CE1 3.72Å; I588-Y897 HydrophobicContact CD1-CE2 3.28Å; I588-Y897 HydrophobicContact CD1-CG 4.03Å; E804-Y897 VanDerWaalsContact CD-OH 3.29Å; E804-Y897 HydrophobicContact CG-CE2 4.12Å; E804-Y897 WeakPolarHBondContact OE1-CE2 2.96Å; E804-Y897 VanDerWaalsContact OE2-CE2 3.28Å; E804-Y897 WeakPolarHBondContact OE2-CE2 3.42Å; E804-Y897 PolarHBondContact OE2-OH 3.34Å; T831-Y897 HydrophobicContact CG2-CD2 3.52Å; T831-Y897 HydrophobicContact CG2-CE2 3.47Å; T831-Y897 VanDerWaalsContact CG2-CE2 3.47Å; T831-Y897 HydrophobicContact CG2-CG 4.42Å; T831-Y897 WeakPolarHBondContact O-CA 3.22Å; N833-Y897 HydrophobicContact CB-CE1 3.91Å; N833-Y897 PolarHBondContact ND2-OH 3.09Å; V874-Y897 HydrophobicContact CG2-CD1 3.61Å; V874-Y897 HydrophobicContact CG2-CE1 4.37Å; V874-Y897 HydrophobicContact CG2-CG 4.36Å; V874-Y897 PolarHBondContact N-O 3.08Å; H875-Y897 PolarHBondContact N-O 2.91Å; H875-Y897 PolarHBondContact O-N 2.88Å; L893-Y897 HydrophobicContact CD2-CD2 3.8Å; L893-Y897 HydrophobicContact CD2-CE2 4.34Å; N895-Y897 PolarHBondContact O-N 2.92Å; Y897-I899 HydrophobicContact CE1-CG1 4.39Å
898	V	93.6	Very high	58.4	Low	1 Å²	1	71.4 Å²	71.4	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.9	-180	-173.5	0	0	0	0	110.3	V738 F740 L830 T831 L832 N833 I872 V873 I896	V738-V898 HydrophobicContact CG2-CG1 4.07Å; V738-V898 HydrophobicContact CG2-CG2 4.42Å; F740-V898 HydrophobicContact CE1-CG1 4.27Å; F740-V898 HydrophobicContact CE1-CG2 4.46Å; L830-V898 HydrophobicContact CD1-CG2 4.26Å; T831-V898 PolarHBondContact O-N 2.99Å; L832-V898 WeakPolarHBondContact CA-O 3.42Å; L832-V898 HydrophobicContact CD1-CB 4.09Å; L832-V898 HydrophobicContact CD1-CG1 4.13Å; N833-V898 PolarHBondContact N-O 2.69Å; I872-V898 CarbonylContact O-C 3.56Å; I872-V898 WeakPolarHBondContact O-CA 3.18Å; V873-V898 HydrophobicContact CG2-CG2 4.26Å; I896-V898 HydrophobicContact CG2-CG2 4.25Å
899	I	91.9	Very high	59.6	Low	7 Å²	7	67.6 Å²	67.6	4%	0.036	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.7	170.4	-48.5	159.4	0	0	0	108.3	L577 V585 I589 N833 G871 I872 V874 Y897	L577-I899 HydrophobicContact CD2-CB 4.44Å; L577-I899 HydrophobicContact CD2-CD1 3.8Å; L577-I899 HydrophobicContact CD2-CG2 3.89Å; V585-I899 HydrophobicContact CG1-CD1 3.32Å; V585-I899 HydrophobicContact CG1-CG1 3.7Å; V585-I899 HydrophobicContact CG1-CG2 4.47Å; V585-I899 HydrophobicContact CG2-CG1 4.26Å; I589-I899 HydrophobicContact CD1-CD1 4.13Å; N833-I899 HydrophobicContact CB-CG2 4.39Å; G871-I899 CarbonylContact C-O 3.58Å; G871-I899 WeakPolarHBondContact CA-O 2.99Å; I872-I899 PolarHBondContact N-O 2.7Å; I872-I899 PolarHBondContact O-N 2.79Å; V874-I899 HydrophobicContact CB-CD1 4.27Å; V874-I899 HydrophobicContact CG1-CD1 3.44Å; V874-I899 VanDerWaalsContact CG1-CD1 3.44Å; V874-I899 HydrophobicContact CG1-CG1 4.16Å; V874-I899 HydrophobicContact CG2-CD1 3.87Å; V874-I899 HydrophobicContact CG2-CG1 3.86Å; Y897-I899 HydrophobicContact CE1-CG1 4.39Å
900	E	90.7	Very high	61.1	Low	9 Å²	9	67.9 Å²	67.9	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138	174	-177.9	166.3	-150.8	0	0	111.5	L832 N833 A835 W837 R838 V869	L832-E900 HydrophobicContact CD1-CB 4.06Å; N833-E900 WeakPolarHBondContact O-CB 3.44Å; N833-E900 PolarHBondContact O-N 3.27Å; A835-E900 HydrophobicContact CB-CB 3.97Å; A835-E900 HydrophobicContact CB-CG 3.74Å; A835-E900 PolarHBondContact N-OE2 2.9Å; W837-E900 WeakPolarHBondContact CZ2-OE1 3.15Å; R838-E900 IonicContact CZ-OE1 2.66Å; R838-E900 IonicContact NE-OE1 3.74Å; R838-E900 PolarHBondContact NE-OE1 3.24Å; R838-E900 IonicContact NE-OE2 2.68Å; R838-E900 PolarHBondContact NE-OE2 3.24Å; R838-E900 IonicContact NH2-OE1 2.63Å; R838-E900 PolarHBondContact NH2-OE1 3.03Å; V869-E900 HydrophobicContact CG1-CG 4.35Å
901	L	82.9	Confident	62.5	Low	12 Å²	12	62.9 Å²	62.9	6%	0.063	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-88	133.6	169.9	-62.1	176.4	0	0	0	109.7	V576 F669 I737 I870 I872 Q903	V576-L901 HydrophobicContact CG1-CD1 3.89Å; V576-L901 HydrophobicContact CG1-CD2 3.56Å; V576-L901 HydrophobicContact CG1-CG 4.38Å; F669-L901 HydrophobicContact CE2-CB 4.12Å; F669-L901 HydrophobicContact CE2-CD1 4.12Å; F669-L901 HydrophobicContact CE2-CD2 4.29Å; F669-L901 HydrophobicContact CE2-CG 4.39Å; I737-L901 HydrophobicContact CD1-CD1 4.26Å; I737-L901 HydrophobicContact CG2-CD1 4.44Å; I870-L901 HydrophobicContact CG2-CD1 4.39Å; I870-L901 PolarHBondContact O-N 2.9Å; I872-L901 HydrophobicContact CD1-CD2 3.88Å; I872-L901 HydrophobicContact CG1-CD1 4.26Å; I872-L901 HydrophobicContact CG1-CD2 4.05Å; I872-L901 HydrophobicContact CG1-CG 4.38Å; L901-Q903 PolarHBondContact O-N 3.27Å
902	D	69.2	Low	63.8	Low	35 Å²	35	59.4 Å²	59.4	19%	0.187	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-50.1	127.4	173.1	-84.3	-48.8	0	0	0	109.8	T667 W837 M904	T667-D902 WeakPolarHBondContact CB-OD2 3.46Å; T667-D902 WeakPolarHBondContact CG2-OD2 3.3Å; T667-D902 PolarHBondContact OG1-OD2 2.84Å; W837-D902 VanDerWaalsContact CD1-OD1 3.24Å; D902-M904 PolarHBondContact O-N 3.28Å
903	Q	58.9	Low	64.8	Low	66 Å²	66	52.6 Å²	52.6	31%	0.308	27%	0.271	S	S	.	.			trans	-62.2	110.7	-178	-102.9	-171.3	8.2	0	0	109.9	W837 L901 K905	W837-Q903 HydrophobicContact CD2-CB 4.1Å; W837-Q903 HydrophobicContact CE3-CB 4.34Å; W837-Q903 HydrophobicContact CH2-CB 3.87Å; W837-Q903 HydrophobicContact CH2-CG 3.62Å; W837-Q903 HydrophobicContact CZ2-CB 3.57Å; W837-Q903 HydrophobicContact CZ2-CG 3.38Å; W837-Q903 HydrophobicContact CZ3-CB 4.22Å; W837-Q903 HydrophobicContact CZ3-CG 4.39Å; L901-Q903 PolarHBondContact O-N 3.27Å; Q903-K905 PolarHBondContact O-N 3.46Å
904	M	49.4	Very low	65.4	Low	23 Å²	23	54.2 Å²	54.2	11%	0.113	28%	0.279	C	S	.	.			trans	-56.7	93.1	161.3	-72.9	-80	-85.3	0	0	107.5	F669 K709 D902 N906	F669-M904 HydrophobicContact CD1-CE 3.83Å; F669-M904 HydrophobicContact CD1-CG 3.77Å; F669-M904 HydrophobicContact CD1-SD 3.33Å; F669-M904 WeakPolarHBondContact CD1-SD 3.49Å; F669-M904 HydrophobicContact CE1-CE 3.71Å; F669-M904 HydrophobicContact CE1-CG 3.49Å; F669-M904 VanDerWaalsContact CE1-CG 3.49Å; F669-M904 HydrophobicContact CE1-SD 3.59Å; F669-M904 VanDerWaalsContact CE1-SD 3.59Å; F669-M904 HydrophobicContact CG-CG 4.45Å; F669-M904 HydrophobicContact CG-SD 4.16Å; F669-M904 HydrophobicContact CZ-CG 3.94Å; K709-M904 HydrophobicContact CB-CE 3.61Å; K709-M904 HydrophobicContact CB-SD 4.44Å; K709-M904 HydrophobicContact CD-CE 4.28Å; K709-M904 HydrophobicContact CD-SD 4.14Å; K709-M904 HydrophobicContact CG-CE 3.97Å; K709-M904 HydrophobicContact CG-SD 4.48Å; K709-M904 WeakPolarHBondContact O-CE 3.36Å; D902-M904 PolarHBondContact O-N 3.28Å; M904-N906 PolarHBondContact O-N 2.89Å
905	K	42.1	Very low	65.8	Low	189 Å²	189	51.4 Å²	51.4	82%	0.822	27%	0.274	S	S	*	.			trans	-57.4	107.8	171	-79.3	-168.9	175.3	-174	0	107.3	Q903 G907	Q903-K905 PolarHBondContact O-N 3.46Å; K905-G907 PolarHBondContact O-N 3.37Å; K905-G907 VanDerWaalsContact O-N 3.1Å
906	N	32.2	Very low	64.8	Low	87 Å²	87	54.2 Å²	54.2	47%	0.465	29%	0.289	S	S	.	.			trans	-53.6	119.3	162.7	-71	-24.7	0	0	0	106.9	S713 M904 N908	S713-N906 PolarHBondContact OG-OD1 2.94Å; M904-N906 PolarHBondContact O-N 2.89Å; N906-N908 PolarHBondContact O-N 2.81Å
907	G	26.6	Very low	62.8	Low	48 Å²	48	58.6 Å²	58.6	50%	0.495	31%	0.312	S	S	.	.			trans	-68.9	100.6	170.3	0	0	0	0	0	109	N710 K905	N710-G907 PolarHBondContact OD1-N 2.87Å; K905-G907 PolarHBondContact O-N 3.37Å; K905-G907 VanDerWaalsContact O-N 3.1Å
908	N	23.5	Very low	60.1	Low	226 Å²	226	63.9 Å²	63.9	100%	1.209	34%	0.341	S	S	*	.			trans	-83.8	0	153.6	-70.4	5.6	0	0	0	108.3	N906	N906-N908 PolarHBondContact O-N 2.81Å

Retrieved 908 of 908 residues in 1378.7 ms (Link to these results)

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