A0A075BJ92_DROME Loading...

Piwi

AlphaFold DB , UniProt , Accession A0A075BJ92, Species DROME (Drosophila melanogaster, Fruit fly), Gene piwi, Length 843 aa.

						>A0A075BJ92_DROME|A0A075BJ92|piwi
MADDQGRGRRRPLNEDDSSTSRGSGDGPRVKVFRGSSSGDPRADPRIEASRERRALEEAPRREGGPTERKPWGDQYDYLNTRPAELVSKKGTDGVPVMLQTNFFRLKTKPEWRIVHYHVEFEPSIENPRVRMGVLSNHANLLGSGYLFDGLQLFTTRKFEQEITVLSGKSKLDIEYKISIKFVGFISCAEPRFLQVLNLILRRSMKGLNLELVGRNLFDPRAKIEIREFKMELWPGYETSIRQHEKDILLGTEITHKVMRTETIYDIMRRCSHNPARHQDEVRVNVLDLIVLTDYNNRTYRINDVDFGQTPKSTFSCKGRDISFVEYYLTKYNIRIRDHNQPLLISKNRDKALKTNASELVVLIPELCRVTGLNAEMRSNFQLMRAMSSYTRMNPKQRTDRLRAFNHRLQNTPESVKVLRDWNMELDKNVTEVQGRIIGQQNIVFHNGKVPAGENADWQRHFRDQRMLTTPSDGLDRWAVIAPQRNSHELRTLLDSLYRAASGMGLRIRSPQEFIIYDDRTGTYVRAMDDCVRSDPKLILCLVPNDNAERYSSIKKRGYVDRAVPTQVVTLKTTKNRSLMSIATKIAIQLNCKLGYTPWMIELPLSGLMTIGFDIAKSTRDRKRAYGALIASMDLQQNSTYFSTVTECSAFDVLANTLWPMIAKALRQYQHEHRKLPSRIVFYRDGVSSGSLKQLFEFEVKDIIEKLKTEYARVQLSPPQLAYIVVTRSMNTRFFLNGQNPPPGTIVDDVITLPERYDFYLVSQQVRQGTVSPTSYNVLYSSMGLPPEKMQKLTYKMCHLYYNWSGTTRVPAVCQYAKKLATLVGTNLHSIPQNALEKKFYYL
					

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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	32.8	Very low	31.9	Very low	240 Å²	240	175.4 Å²	175.4	100%	1.182	87%	0.868	S	S	*	*				0	92.2	0	-59.8	170.3	-173.3	0	0	104.9
2	A	31.1	Very low	33	Very low	84 Å²	84	169.6 Å²	169.6	69%	0.694	85%	0.853	S	S	*	*				67.1	129.5	55.7	0	0	0	0	0	110.6
3	D	32.8	Very low	32.8	Very low	161 Å²	161	166.4 Å²	166.4	86%	0.861	84%	0.839	S	S	*	*			cis	-157.7	-142.7	-4.9	-88.9	-30.4	0	0	0	105.9
4	D	36.7	Very low	32.6	Very low	122 Å²	122	163.8 Å²	163.8	65%	0.652	83%	0.828	S	S	*	*				-146.9	165.7	-95.1	179.1	30.7	0	0	0	108.6
5	Q	36.1	Very low	32.6	Very low	178 Å²	178	161.7 Å²	161.7	83%	0.832	82%	0.815	S	S	*	*			trans	61.6	171	170.4	-72.2	164.7	67.6	0	0	116.2
6	G	30.4	Very low	32.4	Very low	71 Å²	71	160.7 Å²	160.7	73%	0.732	81%	0.812	S	S	*	*			cis	-166.6	165.5	-0.4	0	0	0	0	0	114.6
7	R	31.5	Very low	32.4	Very low	262 Å²	262	159.9 Å²	159.9	99%	0.989	81%	0.811	S	S	*	*			trans	-56.4	154.7	-176.6	-55.4	157.5	174.6	169	-3	115.4
8	G	27.4	Very low	32.3	Very low	83 Å²	83	156.4 Å²	156.4	86%	0.856	80%	0.804	S	S	*	*			trans	-167.7	123.8	160.2	0	0	0	0	0	115.7
9	R	31.2	Very low	32.2	Very low	246 Å²	246	153.3 Å²	153.3	93%	0.928	80%	0.797	S	S	*	*			trans	-107.5	142.8	168.4	-69.9	169.5	166	169.8	-7.7	109.2
10	R	27.4	Very low	32.1	Very low	247 Å²	247	151.9 Å²	151.9	93%	0.932	80%	0.795	S	S	*	*				174.4	146.8	113.6	-100.1	175	172.3	168.4	-3.1	114.8
11	R	33.5	Very low	32	Very low	235 Å²	235	149.3 Å²	149.3	89%	0.887	79%	0.79	S	S	*	*			trans	-78.9	168	155.2	-109.4	-176.6	-171.1	-172.9	1.9	108.5
12	P	44.7	Very low	31.9	Very low	106 Å²	106	149.8 Å²	149.8	69%	0.688	78%	0.779	S	S	*	*				-163.5	-166.2	65.2	45.4	-22.5	0	0	0	118.3
13	L	30.5	Very low	31.7	Very low	128 Å²	128	148.7 Å²	148.7	67%	0.67	78%	0.776	S	S	*	*			trans	69	125.6	162.8	-59.3	172.2	0	0	0	116.2
14	N	30.5	Very low	31.4	Very low	130 Å²	130	147.5 Å²	147.5	70%	0.695	78%	0.78	S	S	*	*				84.4	164.6	52.5	-64.9	21.2	0	0	0	111.9
15	E	32.7	Very low	30.9	Very low	133 Å²	133	145.1 Å²	145.1	62%	0.621	79%	0.785	S	S	*	*			cis	-126	166.4	-1.5	-102.5	81.5	-150.2	0	0	107.9
16	D	29.6	Very low	30.5	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	79%	0.787	S	S	*	*			cis	-124.4	-147.8	-2.8	-98	-48.1	0	0	0	108.9
17	D	31.7	Very low	31	Very low	148 Å²	148	144.9 Å²	144.9	79%	0.791	79%	0.791	S	S	*	*			cis	61.7	158.6	18.3	-121.4	47	0	0	0	116.2
18	S	30.2	Very low	31.2	Very low	97 Å²	97	137.6 Å²	137.6	68%	0.678	78%	0.777	S	S	*	*			cis	-134.7	178.1	-1.3	71.2	0	0	0	0	109.5
19	S	30.8	Very low	31.2	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	78%	0.778	S	S	*	*			cis	-152.9	-176.5	13.8	52	0	0	0	0	107.9
20	T	31.6	Very low	31	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	77%	0.769	S	S	*	*			cis	-139	-168.6	21.8	33.4	0	0	0	0	113.2
21	S	29.2	Very low	31	Very low	99 Å²	99	136 Å²	136	69%	0.692	76%	0.764	S	S	*	*			trans	-49.4	125.4	175.9	45	0	0	0	0	115.9
22	R	31.4	Very low	30.6	Very low	250 Å²	250	130.4 Å²	130.4	94%	0.943	76%	0.755	S	S	*	*				76.6	132.1	55.3	-67.3	176.3	-176.2	-175.2	3.3	113.8
23	G	26.3	Very low	29.7	Very low	61 Å²	61	133 Å²	133	63%	0.629	76%	0.756	S	S	*	*			cis	164.2	168.2	-8.2	0	0	0	0	0	114.6
24	S	27	Very low	29.6	Very low	135 Å²	135	137.6 Å²	137.6	94%	0.944	77%	0.765	S	S	*	*			trans	58.8	140.3	170.5	54.8	0	0	0	0	118.7
25	G	26.3	Very low	29.3	Very low	73 Å²	73	134.5 Å²	134.5	75%	0.753	76%	0.763	S	S	*	*			cis	-178.4	-164.7	2.4	0	0	0	0	0	113.4
26	D	27.8	Very low	29	Very low	166 Å²	166	134 Å²	134	89%	0.888	77%	0.774	S	S	*	*			trans	-25.9	132.1	-173.6	-81.2	-51.8	0	0	0	119.1
27	G	39.2	Very low	28.9	Very low	78 Å²	78	131.8 Å²	131.8	80%	0.804	77%	0.77	S	S	*	*			trans	-84.9	136.2	172.5	0	0	0	0	0	113.8
28	P	36.5	Very low	28.7	Very low	108 Å²	108	130.2 Å²	130.2	70%	0.701	77%	0.771	S	S	*	*			trans	-124	136.9	174.1	38.1	-25.7	0	0	0	115.5
29	R	27.6	Very low	28.4	Very low	231 Å²	231	129.5 Å²	129.5	87%	0.872	78%	0.779	S	S	*	*				62	117.6	129.1	-67.1	179.3	168	-179.3	-2.8	122.5
30	V	27.8	Very low	28.2	Very low	122 Å²	122	132.5 Å²	132.5	74%	0.739	79%	0.787	S	S	*	*				78.4	158.1	115.8	169.4	0	0	0	0	120.3
31	K	26.5	Very low	29	Very low	190 Å²	190	130.5 Å²	130.5	83%	0.826	78%	0.776	S	S	*	*			trans	81.7	162.3	164.8	-84.2	151.5	-179	-171.8	0	118
32	V	25.4	Very low	28.9	Very low	117 Å²	117	137 Å²	137	71%	0.709	79%	0.786	S	S	*	*			cis	176	146	-46.4	125.6	0	0	0	0	110.8
33	F	25.6	Very low	28.7	Very low	161 Å²	161	129.7 Å²	129.7	71%	0.706	78%	0.779	S	S	*	*			trans	74.2	130.6	158	-92.4	-145.7	0	0	0	123.7
34	R	27.2	Very low	28.7	Very low	225 Å²	225	133.5 Å²	133.5	85%	0.849	79%	0.785	S	S	*	*			trans	51.6	129.5	131	-66.9	-172.4	176.6	-175	-2.5	123.6
35	G	25.1	Very low	29.4	Very low	64 Å²	64	131.9 Å²	131.9	66%	0.66	77%	0.771	S	S	*	*			trans	161.5	123.1	151.8	0	0	0	0	0	108.3
36	S	26.5	Very low	29.5	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	77%	0.774	S	S	*	*				59.2	125.8	59	73.1	0	0	0	0	113.1
37	S	27.6	Very low	29.5	Very low	100 Å²	100	138.5 Å²	138.5	70%	0.699	77%	0.771	S	S	*	*			cis	-161.6	177.6	11.5	54.4	0	0	0	0	113.1
38	S	26.8	Very low	28.9	Very low	115 Å²	115	143.7 Å²	143.7	80%	0.804	77%	0.774	S	S	*	*			trans	54.7	133.7	141.9	59.2	0	0	0	0	122.3
39	G	24.5	Very low	28.5	Very low	82 Å²	82	143.2 Å²	143.2	85%	0.845	78%	0.78	S	S	*	*			trans	147.4	85.4	148.6	0	0	0	0	0	118.1
40	D	26	Very low	28.4	Very low	159 Å²	159	137.3 Å²	137.3	85%	0.85	77%	0.773	S	S	*	*			trans	-84.5	178.8	156.4	-149.9	33.5	0	0	0	108.2
41	P	48.8	Very low	28.3	Very low	82 Å²	82	143.1 Å²	143.1	53%	0.532	78%	0.782	S	S	.	*			cis	-145.8	-168.1	6.7	44.3	-23.6	0	0	0	117.3
42	R	27.8	Very low	28.3	Very low	236 Å²	236	143.5 Å²	143.5	89%	0.891	79%	0.787	S	S	*	*			trans	78.5	143.7	157.3	-66.8	164.9	-167.9	-174.1	3.1	118.2
43	A	27.2	Very low	28.4	Very low	96 Å²	96	149.4 Å²	149.4	79%	0.793	80%	0.796	S	S	*	*			cis	-156.4	151.9	-13.2	0	0	0	0	0	111.9
44	D	26.3	Very low	28.3	Very low	142 Å²	142	153.6 Å²	153.6	76%	0.759	81%	0.808	S	S	*	*			trans	-88.7	159.9	171.9	-171.2	32.8	0	0	0	110.4	R46	D44-R46 PolarHBondContact OD1-N 3.5Å
45	P	41.8	Very low	28.2	Very low	100 Å²	100	147.5 Å²	147.5	65%	0.649	81%	0.805	S	S	*	*				-152	146.9	93.1	37.4	-18.2	0	0	0	118.2
46	R	27.1	Very low	28.3	Very low	217 Å²	217	152.3 Å²	152.3	82%	0.819	82%	0.815	S	S	*	*			trans	79.1	144	145.7	-68.8	162.7	-174.3	-168.7	-0.1	118	D44	D44-R46 PolarHBondContact OD1-N 3.5Å
47	I	29.1	Very low	28.3	Very low	162 Å²	162	155.1 Å²	155.1	83%	0.831	81%	0.814	S	S	*	*			cis	-140	159	9.4	-116.2	147.3	0	0	0	111.4
48	E	26.6	Very low	28.3	Very low	187 Å²	187	159.9 Å²	159.9	87%	0.874	83%	0.826	S	S	*	*			trans	-92.7	158.1	-168.5	-54.6	166.7	92.8	0	0	116
49	A	26.9	Very low	28.1	Very low	98 Å²	98	158.9 Å²	158.9	81%	0.81	82%	0.824	S	S	*	*				156.8	144.6	128.1	0	0	0	0	0	112
50	S	25.1	Very low	28.2	Very low	106 Å²	106	160.7 Å²	160.7	74%	0.741	82%	0.821	S	S	*	*			cis	-166.2	149.6	-18.5	58.5	0	0	0	0	109.8
51	R	27	Very low	28.2	Very low	245 Å²	245	164.9 Å²	164.9	93%	0.925	83%	0.825	S	S	*	*			trans	164.6	107.6	141.5	-96	176.8	176.1	-165.5	-1.9	111.8
52	E	25.1	Very low	27.1	Very low	198 Å²	198	172.9 Å²	172.9	93%	0.925	85%	0.845	S	S	*	*			trans	-103.9	172.7	171	-85.6	-145.5	114.2	0	0	113.5
53	R	27.8	Very low	26.9	Very low	240 Å²	240	171 Å²	171	91%	0.906	85%	0.846	S	S	*	*			trans	-82.6	155.6	178.3	-60.6	168.8	176.8	162.1	-1.7	110.9
54	R	24.8	Very low	26.9	Very low	250 Å²	250	170.3 Å²	170.3	94%	0.943	85%	0.849	S	S	*	*			trans	-120.4	147.9	154.3	-86.1	-171	170.4	-170.6	-3.2	110.2
55	A	25	Very low	26.7	Very low	97 Å²	97	166.3 Å²	166.3	80%	0.802	84%	0.84	S	S	*	*			trans	-74.3	168.9	170	0	0	0	0	0	110.9
56	L	26.8	Very low	25.8	Very low	165 Å²	165	167.9 Å²	167.9	86%	0.864	85%	0.851	S	S	*	*			trans	-130	149.3	168.9	-92.8	165.5	0	0	0	109.3
57	E	25.2	Very low	25.8	Very low	180 Å²	180	164 Å²	164	84%	0.841	85%	0.852	S	S	*	*			trans	-89.7	166.3	-158.5	-64.2	140.1	125.2	0	0	114.4
58	E	28.3	Very low	25.6	Very low	201 Å²	201	164.9 Å²	164.9	94%	0.939	85%	0.852	S	S	*	*			trans	-74.4	143.1	169.6	-64.4	-169.3	114.2	0	0	111.5
59	A	23.3	Very low	25.5	Very low	93 Å²	93	166.3 Å²	166.3	77%	0.769	85%	0.849	S	S	*	*			trans	-130.4	149.6	171.6	0	0	0	0	0	110
60	P	26.1	Very low	25.4	Very low	120 Å²	120	170.7 Å²	170.7	78%	0.779	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-79.9	153.6	-146.9	28.4	-36.5	0	0	0	115.9	R62	P60-R62 PolarHBondContact O-N 3.23Å
61	R	26.9	Very low	25.5	Very low	248 Å²	248	169.5 Å²	169.5	94%	0.936	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-62.2	123.6	169.4	-63	177.5	-179.1	174.8	1.4	109.9
62	R	25.3	Very low	25.5	Very low	250 Å²	250	169.1 Å²	169.1	94%	0.943	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-81.6	143.6	163.5	-77.9	-175	170.4	-178.5	-3.4	110.4	P60	P60-R62 PolarHBondContact O-N 3.23Å
63	E	24	Very low	25.7	Very low	195 Å²	195	161.5 Å²	161.5	91%	0.911	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.1	155.5	-177.4	-62.3	177.7	120.2	0	0	112.6	G65	E63-G65 PolarHBondContact O-N 2.82Å
64	G	25.5	Very low	26.1	Very low	83 Å²	83	153.4 Å²	153.4	86%	0.856	79%	0.788	S	S	*	*			trans	-81.2	100.2	-172.7	0	0	0	0	0	113.3
65	G	22.4	Very low	26.7	Very low	57 Å²	57	148.9 Å²	148.9	59%	0.588	78%	0.777	S	S	*	*			trans	-60.2	150.7	160.6	0	0	0	0	0	111.6	E63 T67	E63-G65 PolarHBondContact O-N 2.82Å; G65-T67 PolarHBondContact O-N 2.89Å
66	P	24.2	Very low	27.8	Very low	133 Å²	133	146.9 Å²	146.9	86%	0.864	75%	0.749	S	S	*	*			trans	-61.8	124.8	-176	24.7	-33.5	0	0	0	111.1	E68	P66-E68 PolarHBondContact O-N 2.93Å
67	T	25.9	Very low	28.9	Very low	137 Å²	137	141.4 Å²	141.4	84%	0.84	72%	0.721	S	S	*	*			trans	-76.4	108.2	-176.3	24.8	0	0	0	0	110.9	G65 R69	G65-T67 PolarHBondContact O-N 2.89Å; T67-R69 PolarHBondContact O-N 2.78Å; T67-R69 VanDerWaalsContact O-N 3.17Å
68	E	24.7	Very low	30.7	Very low	180 Å²	180	137 Å²	137	84%	0.841	70%	0.697	S	S	*	*			trans	-53.7	121	175.1	-69.5	-165.8	128.4	0	0	111.6	P66 K70	P66-E68 PolarHBondContact O-N 2.93Å; E68-K70 VanDerWaalsContact C-N 3.34Å; E68-K70 PolarHBondContact O-N 2.88Å
69	R	25.2	Very low	32.7	Very low	216 Å²	216	128.6 Å²	128.6	82%	0.815	66%	0.659	S	S	*	*			trans	-69.4	87.8	174.8	-70.8	-179.3	175.6	166	1.3	110	T67 P71	T67-R69 PolarHBondContact O-N 2.78Å; T67-R69 VanDerWaalsContact O-N 3.17Å; R69-P71 VanDerWaalsContact O-CD 3.27Å; R69-P71 WeakPolarHBondContact O-CD 3.29Å; R69-P71 VanDerWaalsContact O-N 3.14Å
70	K	24.2	Very low	35.5	Very low	190 Å²	190	129.1 Å²	129.1	83%	0.826	65%	0.649	S	S	*	*			trans	-49.8	117.4	174.6	-73.7	-175.3	176.8	177.6	0	110.8	E68	E68-K70 VanDerWaalsContact C-N 3.34Å; E68-K70 PolarHBondContact O-N 2.88Å
71	P	27.9	Very low	38.1	Very low	81 Å²	81	124 Å²	124	53%	0.526	62%	0.615	S	S	.	*			trans	-62.8	163.6	-178.2	-25.8	36	0	0	0	113.7	R69 G73	R69-P71 VanDerWaalsContact O-CD 3.27Å; R69-P71 WeakPolarHBondContact O-CD 3.29Å; R69-P71 VanDerWaalsContact O-N 3.14Å; P71-G73 PolarHBondContact O-N 2.87Å
72	W	26.8	Very low	40.8	Very low	238 Å²	238	115.3 Å²	115.3	90%	0.902	58%	0.582	S	S	*	*			trans	-69.2	88.7	178.5	-81	22.1	0	0	0	112.5
73	G	30	Very low	43.4	Very low	37 Å²	37	105.8 Å²	105.8	38%	0.381	55%	0.553	S	S	.	*			trans	-104.1	131.1	166.2	0	0	0	0	0	112.7	P71 Q75	P71-G73 PolarHBondContact O-N 2.87Å; G73-Q75 PolarHBondContact O-N 2.84Å
74	D	36.2	Very low	45.8	Very low	70 Å²	70	101.8 Å²	101.8	37%	0.374	55%	0.554	S	S	.	*			trans	-60.1	118.7	142.7	-80.7	-64.5	0	0	0	105.8	Y76 Q195 R202 R215	D74-Y76 HydrophobicContact CB-CD2 4.21Å; D74-Y76 HydrophobicContact CB-CE2 3.68Å; D74-Y76 WeakPolarHBondContact O-CD2 3.5Å; D74-Y76 PolarHBondContact O-N 2.9Å; D74-Q195 PolarHBondContact O-NE2 3Å; D74-R202 IonicContact OD2-NH2 3.11Å; D74-R215 IonicContact OD1-NH2 2.68Å
75	Q	37.4	Very low	48.3	Very low	156 Å²	156	106.7 Å²	106.7	73%	0.729	55%	0.554	S	S	*	*			trans	-77.3	89.6	179.1	-175.3	168.5	-18	0	0	108.8	G73 D77	G73-Q75 PolarHBondContact O-N 2.84Å; Q75-D77 PolarHBondContact NE2-OD2 2.67Å; Q75-D77 PolarHBondContact O-N 2.68Å
76	Y	47	Very low	51	Low	54 Å²	54	105.5 Å²	105.5	21%	0.212	53%	0.534	C	S	.	.			trans	-71.9	80.6	173.3	-62.7	-86.9	0	0	0	109.3	D74 Y78 P191 L194 Q195	D74-Y76 HydrophobicContact CB-CD2 4.21Å; D74-Y76 HydrophobicContact CB-CE2 3.68Å; D74-Y76 WeakPolarHBondContact O-CD2 3.5Å; D74-Y76 PolarHBondContact O-N 2.9Å; Y76-Y78 PolarHBondContact O-N 2.64Å; Y76-P191 WeakPolarHBondContact O-CG 3.4Å; Y76-L194 HydrophobicContact CD1-CD2 3.51Å; Y76-L194 HydrophobicContact CD1-CG 4.34Å; Y76-L194 HydrophobicContact CE1-CD2 3.71Å; Y76-L194 HydrophobicContact CE1-CG 4.2Å; Y76-L194 HydrophobicContact CG-CD2 3.97Å; Y76-Q195 HydrophobicContact CD2-CG 3.67Å; Y76-Q195 HydrophobicContact CE2-CG 3.56Å
77	D	50.8	Low	53.6	Low	51 Å²	51	105.6 Å²	105.6	27%	0.273	53%	0.532	S	S	.	.			trans	-62.3	103	172.2	-96.8	-50.1	0	0	0	109.7	Q75 K693	Q75-D77 PolarHBondContact NE2-OD2 2.67Å; Q75-D77 PolarHBondContact O-N 2.68Å; D77-K693 HydrophobicContact CB-CB 4.17Å; D77-K693 HydrophobicContact CB-CD 3.83Å; D77-K693 WeakPolarHBondContact OD1-CD 2.92Å; D77-K693 WeakPolarHBondContact OD1-CE 3.23Å; D77-K693 IonicContact OD1-NZ 2.77Å; D77-K693 PolarHBondContact OD1-NZ 3.32Å
78	Y	61.7	Low	56.4	Low	86 Å²	86	101.6 Å²	101.6	34%	0.337	51%	0.51	S	S	.	.			trans	-80.3	134.6	177.7	-155.1	-119.6	0	0	0	109.1	Y76 A189 E755	Y76-Y78 PolarHBondContact O-N 2.64Å; Y78-A189 HydrophobicContact CE1-CB 4.47Å; Y78-A189 WeakPolarHBondContact CE1-O 3.44Å; Y78-E755 HydrophobicContact CD2-CG 4.26Å; Y78-E755 HydrophobicContact CE1-CB 3.85Å; Y78-E755 HydrophobicContact CE1-CG 3.96Å; Y78-E755 HydrophobicContact CE2-CB 4.26Å; Y78-E755 HydrophobicContact CE2-CG 3.59Å; Y78-E755 WeakPolarHBondContact CE2-OE2 3.4Å; Y78-E755 VanDerWaalsContact CZ-CG 3.44Å; Y78-E755 WeakPolarHBondContact OH-CB 3.43Å; Y78-E755 PolarHBondContact OH-OE2 2.89Å
79	L	72	Confident	59.6	Low	25 Å²	25	93.2 Å²	93.2	13%	0.131	47%	0.471	C	S	.	.			trans	-133.1	112.9	172.4	178.4	73.4	0	0	0	106.4	T81 F696	L79-T81 HydrophobicContact CD2-CG2 3.68Å; L79-T81 HydrophobicContact CG-CG2 3.83Å; L79-T81 PolarHBondContact O-N 3.11Å; L79-F696 HydrophobicContact CD1-CB 4.36Å; L79-F696 HydrophobicContact CD1-CD1 3.96Å; L79-F696 HydrophobicContact CD1-CE1 4.48Å; L79-F696 HydrophobicContact CD1-CG 4.15Å; L79-F696 HydrophobicContact CD2-CB 3.6Å; L79-F696 HydrophobicContact CD2-CD2 4.25Å; L79-F696 HydrophobicContact CD2-CG 3.9Å
80	N	81.1	Confident	62.8	Low	105 Å²	105	87.2 Å²	87.2	56%	0.561	45%	0.45	S	S	*	.			trans	-74.5	118.3	169.1	-176.2	11.3	0	0	0	108.2	R82 E755	N80-R82 PolarHBondContact OD1-N 3.02Å; N80-E755 CarbonylContact C-O 3.5Å; N80-E755 WeakPolarHBondContact CA-O 3.45Å; N80-E755 HydrophobicContact CB-CB 4.35Å; N80-E755 PolarHBondContact OD1-O 2.8Å
81	T	80.7	Confident	66	Low	12 Å²	12	78.5 Å²	78.5	7%	0.074	42%	0.415	C	S	.	.			trans	-113.1	-2.6	178.1	71.8	0	0	0	0	112.7	L79 P83 E755 R756 Y757 N777 V778 L779	L79-T81 HydrophobicContact CD2-CG2 3.68Å; L79-T81 HydrophobicContact CG-CG2 3.83Å; L79-T81 PolarHBondContact O-N 3.11Å; T81-P83 VanDerWaalsContact O-CD 3.32Å; T81-P83 WeakPolarHBondContact O-CD 3.48Å; T81-E755 PolarHBondContact N-O 3.12Å; T81-R756 WeakPolarHBondContact OG1-CA 3.14Å; T81-Y757 PolarHBondContact OG1-N 2.87Å; T81-N777 PolarHBondContact OG1-OD1 3.46Å; T81-V778 WeakPolarHBondContact CB-O 3.36Å; T81-V778 PolarHBondContact OG1-O 2.95Å; T81-L779 HydrophobicContact CG2-CD2 3.7Å
82	R	83	Confident	69.1	Low	65 Å²	65	79.8 Å²	79.8	25%	0.245	42%	0.421	C	S	.	.	S	Bend	trans	-75.9	117.3	171.9	-172.7	174.3	-174.9	154.9	-3.6	108.9	N80 L86 V87 E245 P754 E755	N80-R82 PolarHBondContact OD1-N 3.02Å; R82-L86 PolarHBondContact NE-O 3.35Å; R82-V87 PolarHBondContact NH2-O 3.13Å; R82-E245 IonicContact NH1-OE2 3.13Å; R82-E245 PolarHBondContact NH1-OE2 3.19Å; R82-P754 WeakPolarHBondContact CD-O 3.4Å; R82-P754 PolarHBondContact NH1-O 3.38Å; R82-E755 PolarHBondContact N-O 2.75Å
83	P	79.9	Confident	72	Confident	50 Å²	50	70.4 Å²	70.4	33%	0.325	39%	0.389	S	S	.	.			trans	-60	143.6	173.6	-20.6	32.8	0	0	0	110.5	T81 E85 L86	T81-P83 VanDerWaalsContact O-CD 3.32Å; T81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-E85 PolarHBondContact O-N 3.09Å; P83-L86 HydrophobicContact CB-CB 4.13Å; P83-L86 HydrophobicContact CG-CB 4.23Å; P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 2.88Å
84	A	75.8	Confident	75.1	Confident	112 Å²	112	70.6 Å²	70.6	93%	0.926	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.1	178.6	0	0	0	0	0	112.4	L86	A84-L86 VanDerWaalsContact C-N 3.26Å; A84-L86 PolarHBondContact O-N 3.4Å
85	E	77.6	Confident	78	Confident	185 Å²	185	71.9 Å²	71.9	86%	0.864	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-18.6	174.4	-64.5	159.2	-144.6	0	0	113.5	P83 V87	P83-E85 PolarHBondContact O-N 3.09Å; E85-V87 VanDerWaalsContact C-N 3.33Å; E85-V87 PolarHBondContact O-N 2.81Å
86	L	79.8	Confident	80.8	Confident	33 Å²	33	68.2 Å²	68.2	17%	0.173	39%	0.39	C	S	.	.			trans	-84.7	75.7	-175.2	-168.6	69.2	0	0	0	111.5	R82 P83 A84 S88 K89 Y757 P787	R82-L86 PolarHBondContact NE-O 3.35Å; P83-L86 HydrophobicContact CB-CB 4.13Å; P83-L86 HydrophobicContact CG-CB 4.23Å; P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 2.88Å; A84-L86 VanDerWaalsContact C-N 3.26Å; A84-L86 PolarHBondContact O-N 3.4Å; L86-S88 VanDerWaalsContact C-N 3.25Å; L86-S88 WeakPolarHBondContact CD1-O 3.41Å; L86-S88 PolarHBondContact O-N 3.27Å; L86-K89 HydrophobicContact CD2-CB 4.07Å; L86-Y757 HydrophobicContact CD2-CD1 3.6Å; L86-Y757 HydrophobicContact CD2-CD2 3.7Å; L86-Y757 HydrophobicContact CD2-CE1 3.99Å; L86-Y757 HydrophobicContact CD2-CE2 4.09Å; L86-Y757 HydrophobicContact CD2-CG 3.45Å; L86-Y757 VanDerWaalsContact CD2-CG 3.45Å; L86-P787 HydrophobicContact CD1-CG 4.29Å
87	V	77.4	Confident	83.2	Confident	134 Å²	134	66.9 Å²	66.9	81%	0.812	39%	0.388	S	S	*	.	S	Bend	trans	-46.5	-49.4	175.8	-177	0	0	0	0	111.2	R82 E85	R82-V87 PolarHBondContact NH2-O 3.13Å; E85-V87 VanDerWaalsContact C-N 3.33Å; E85-V87 PolarHBondContact O-N 2.81Å
88	S	85.8	Confident	85.4	Confident	54 Å²	54	69 Å²	69	38%	0.378	40%	0.397	S	S	.	.			trans	-132.7	135.8	177.1	-179.1	0	0	0	0	111.4	L86 K90	L86-S88 VanDerWaalsContact C-N 3.25Å; L86-S88 WeakPolarHBondContact CD1-O 3.41Å; L86-S88 PolarHBondContact O-N 3.27Å; S88-K90 WeakPolarHBondContact OG-CB 3.49Å; S88-K90 PolarHBondContact OG-N 2.93Å
89	K	90.5	Very high	87	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.017	38%	0.381	C	S	.	.			trans	-93.1	-0	167.1	67.3	-175.6	176.2	-174.7	0	113.5	L86 E245 L753 R756 Y757 D758 P787	L86-K89 HydrophobicContact CD2-CB 4.07Å; K89-E245 VanDerWaalsContact CE-CD 3.5Å; K89-E245 WeakPolarHBondContact CE-OE1 3.47Å; K89-E245 WeakPolarHBondContact CE-OE2 3.46Å; K89-E245 IonicContact NZ-OE1 3.14Å; K89-E245 PolarHBondContact NZ-OE1 3.03Å; K89-E245 IonicContact NZ-OE2 3.79Å; K89-L753 PolarHBondContact NZ-O 2.77Å; K89-R756 WeakPolarHBondContact CD-O 3.35Å; K89-R756 PolarHBondContact NZ-O 3.04Å; K89-Y757 HydrophobicContact CB-CD2 3.88Å; K89-Y757 HydrophobicContact CB-CE2 4.26Å; K89-D758 IonicContact NZ-OD1 3.37Å; K89-D758 PolarHBondContact NZ-OD1 3.42Å; K89-P787 VanDerWaalsContact O-CB 3.23Å; K89-P787 WeakPolarHBondContact O-CB 3.43Å
90	K	93.3	Very high	88	Confident	89 Å²	89	66 Å²	66	39%	0.387	39%	0.385	S	S	.	.			trans	-75.7	124.3	178.5	-51.2	-170.8	-161.6	-168	0	110.2	S88 D748 D749	S88-K90 WeakPolarHBondContact OG-CB 3.49Å; S88-K90 PolarHBondContact OG-N 2.93Å; K90-D748 WeakPolarHBondContact CA-OD2 3.33Å; K90-D749 HydrophobicContact CD-CB 4.11Å; K90-D749 WeakPolarHBondContact CE-OD1 3.39Å; K90-D749 VanDerWaalsContact CE-OD2 3.31Å; K90-D749 WeakPolarHBondContact CE-OD2 3.45Å; K90-D749 HydrophobicContact CG-CB 4.37Å; K90-D749 IonicContact NZ-OD1 3.88Å; K90-D749 IonicContact NZ-OD2 3.6Å; K90-D749 PolarHBondContact NZ-OD2 2.81Å
91	G	91.3	Very high	88.7	Confident	8 Å²	8	61 Å²	61	8%	0.082	36%	0.359	C	S	.	.			trans	-78.7	160.1	169.1	0	0	0	0	0	112.8	R436 D748	G91-R436 VanDerWaalsContact C-CZ 3.49Å; G91-R436 PolarHBondContact O-NE 2.88Å; G91-D748 PolarHBondContact N-OD2 2.95Å
92	T	92.1	Very high	89.4	Confident	108 Å²	108	60.5 Å²	60.5	66%	0.663	36%	0.356	S	S	*	.			trans	-110.4	-32.3	-179.3	50.7	0	0	0	0	114.1	G94	T92-G94 PolarHBondContact O-N 3.24Å
93	D	89.4	Confident	90	Very high	41 Å²	41	57.7 Å²	57.7	22%	0.219	35%	0.345	C	S	.	.			trans	-59.1	134.4	-179.4	-66.9	-5.4	0	0	0	112.4	R436 E788 K789 K792	D93-R436 PolarHBondContact O-NH1 2.82Å; D93-E788 HydrophobicContact CB-CB 4Å; D93-E788 HydrophobicContact CB-CG 3.92Å; D93-E788 WeakPolarHBondContact OD1-CG 3.32Å; D93-K789 VanDerWaalsContact CG-NZ 3.35Å; D93-K789 IonicContact OD1-NZ 2.75Å; D93-K789 PolarHBondContact OD1-NZ 2.8Å; D93-K789 IonicContact OD2-NZ 2.66Å; D93-K789 PolarHBondContact OD2-NZ 3.5Å; D93-K789 VanDerWaalsContact OD2-NZ 3.11Å; D93-K792 WeakPolarHBondContact OD2-CE 3.32Å; D93-K792 IonicContact OD2-NZ 2.72Å; D93-K792 PolarHBondContact OD2-NZ 3.18Å
94	G	93.9	Very high	90.7	Very high	40 Å²	40	55.4 Å²	55.4	41%	0.412	33%	0.33	S	S	.	.	S	Bend	trans	113.5	173.9	168.5	0	0	0	0	0	115.2	T92 I437	T92-G94 PolarHBondContact O-N 3.24Å; G94-I437 CarbonylContact C-O 3.52Å; G94-I437 VanDerWaalsContact CA-O 3.31Å; G94-I437 WeakPolarHBondContact CA-O 3.3Å
95	V	96.9	Very high	91.6	Very high	97 Å²	97	54.7 Å²	54.7	59%	0.588	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.3	-177.6	-178.8	0	0	0	0	109.8	R436 I437	V95-R436 CarbonylContact O-C 3.36Å; V95-R436 VanDerWaalsContact O-CA 3.26Å; V95-R436 WeakPolarHBondContact O-CA 3.46Å; V95-I437 PolarHBondContact N-O 3.46Å; V95-I437 PolarHBondContact O-N 3.26Å
96	P	96.9	Very high	92.3	Very high	80 Å²	80	46.1 Å²	46.1	52%	0.519	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.8	179.1	29.5	-34.9	0	0	0	111.7	G435	P96-G435 WeakPolarHBondContact CA-O 3.5Å
97	V	96.8	Very high	92.8	Very high	25 Å²	25	48.7 Å²	48.7	15%	0.152	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.9	177.9	-71.5	0	0	0	0	111.3	L99 G435 I437 L736	V97-L99 HydrophobicContact CG2-CD1 4.24Å; V97-L99 HydrophobicContact CG2-CD2 4.16Å; V97-L99 HydrophobicContact CG2-CG 4.08Å; V97-G435 PolarHBondContact N-O 3.08Å; V97-G435 PolarHBondContact O-N 2.96Å; V97-I437 HydrophobicContact CG1-CD1 3.67Å; V97-I437 HydrophobicContact CG1-CG1 4.14Å; V97-I437 HydrophobicContact CG2-CD1 4.31Å; V97-I437 HydrophobicContact CG2-CG1 4.03Å; V97-L736 HydrophobicContact CB-CD1 4.03Å; V97-L736 HydrophobicContact CG1-CD1 4.32Å
98	M	96.9	Very high	93.3	Very high	95 Å²	95	45 Å²	45	47%	0.468	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.4	168.7	-72.3	-55.4	-58.1	0	0	110.6	E432 Q434 L736	M98-E432 HydrophobicContact CE-CB 3.72Å; M98-Q434 HydrophobicContact SD-CB 3.94Å; M98-Q434 HydrophobicContact SD-CG 4.38Å; M98-L736 WeakPolarHBondContact O-CD1 3.32Å
99	L	95.9	Very high	93.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.6	-174	-62.9	167.3	0	0	0	110.2	V97 E432 V433 F734 F735 L736 P741 T745 V747	V97-L99 HydrophobicContact CG2-CD1 4.24Å; V97-L99 HydrophobicContact CG2-CD2 4.16Å; V97-L99 HydrophobicContact CG2-CG 4.08Å; L99-E432 CarbonylContact O-C 3.57Å; L99-E432 WeakPolarHBondContact O-CA 3.39Å; L99-V433 PolarHBondContact N-O 2.74Å; L99-V433 PolarHBondContact O-N 2.86Å; L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.93Å; L99-F734 HydrophobicContact CD1-CE2 4.35Å; L99-F735 WeakPolarHBondContact CA-O 3.35Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.03Å; L99-L736 HydrophobicContact CD2-CG 4.48Å; L99-P741 HydrophobicContact CD2-CB 4.5Å; L99-P741 HydrophobicContact CD2-CG 4.43Å; L99-T745 HydrophobicContact CD1-CG2 3.66Å; L99-T745 HydrophobicContact CD2-CG2 4.2Å; L99-V747 HydrophobicContact CD1-CG2 3.5Å
100	Q	93.8	Very high	92.5	Very high	49 Å²	49	54.9 Å²	54.9	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	131.3	170.1	-76.3	172.2	-6.2	0	0	108.7	E432 F734 F735	Q100-E432 HydrophobicContact CG-CG 3.94Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.29Å; Q100-E432 PolarHBondContact NE2-OE1 3.48Å; Q100-F734 CarbonylContact O-C 3.55Å; Q100-F734 WeakPolarHBondContact O-CA 3.39Å; Q100-F735 PolarHBondContact N-O 3.4Å; Q100-F735 VanDerWaalsContact O-CD2 3.29Å; Q100-F735 WeakPolarHBondContact O-CD2 3.17Å; Q100-F735 PolarHBondContact O-N 2.86Å
101	T	94.5	Very high	91.9	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-158.6	-175.8	68.6	0	0	0	0	112.4	F103 V430 T431 V433 R733 F734 F735 I751	T101-F103 PolarHBondContact OG1-N 3.13Å; T101-F103 VanDerWaalsContact OG1-N 3.08Å; T101-V430 WeakPolarHBondContact O-CG1 3.47Å; T101-T431 WeakPolarHBondContact CB-O 3.46Å; T101-T431 WeakPolarHBondContact CG2-O 3.28Å; T101-T431 PolarHBondContact N-O 3.23Å; T101-T431 VanDerWaalsContact N-O 3.14Å; T101-T431 PolarHBondContact OG1-O 2.71Å; T101-V433 HydrophobicContact CG2-CB 4.16Å; T101-V433 HydrophobicContact CG2-CG2 3.48Å; T101-V433 VanDerWaalsContact CG2-CG2 3.48Å; T101-R733 CarbonylContact C-O 3.54Å; T101-R733 WeakPolarHBondContact CA-O 3.47Å; T101-F734 HydrophobicContact CG2-CB 4.41Å; T101-F735 WeakPolarHBondContact O-CE2 3.24Å; T101-I751 HydrophobicContact CG2-CD1 4.05Å; T101-I751 HydrophobicContact CG2-CG2 4.03Å
102	N	95.2	Very high	91.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-118.6	25.7	161.3	71.5	-50.2	0	0	0	113.2	T252 L402 N731 R733	N102-T252 WeakPolarHBondContact CB-O 3.44Å; N102-T252 PolarHBondContact ND2-O 2.82Å; N102-T252 PolarHBondContact O-N 3.19Å; N102-L402 HydrophobicContact CB-CD2 3.48Å; N102-L402 VanDerWaalsContact CB-CD2 3.48Å; N102-N731 PolarHBondContact ND2-O 2.87Å; N102-R733 HydrophobicContact CB-CB 3.98Å; N102-R733 HydrophobicContact CB-CG 4.48Å; N102-R733 PolarHBondContact N-O 3.28Å; N102-R733 PolarHBondContact OD1-N 2.88Å; N102-R733 PolarHBondContact OD1-O 3.45Å; N102-R733 VanDerWaalsContact OD1-O 3.14Å
103	F	95.1	Very high	91.4	Very high	7 Å²	7	61.8 Å²	61.8	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148.2	178.7	-68.6	-103.7	0	0	0	110.4	T101 H244 L249 L250 T431 T732 I751	T101-F103 PolarHBondContact OG1-N 3.13Å; T101-F103 VanDerWaalsContact OG1-N 3.08Å; F103-H244 AromaticContact CE1-CE1 3.79Å; F103-H244 AromaticContact CE1-NE2 3.51Å; F103-L249 HydrophobicContact CB-CB 4.19Å; F103-L249 HydrophobicContact CB-CD1 4.14Å; F103-L249 HydrophobicContact CD1-CB 3.69Å; F103-L249 HydrophobicContact CD1-CD1 4.1Å; F103-L249 HydrophobicContact CG-CB 4.37Å; F103-L249 HydrophobicContact CG-CD1 4.28Å; F103-L250 WeakPolarHBondContact CA-O 3.48Å; F103-T431 PolarHBondContact O-N 2.74Å; F103-T431 PolarHBondContact O-OG1 2.97Å; F103-T732 HydrophobicContact CE2-CG2 4.01Å; F103-T732 HydrophobicContact CZ-CG2 4.48Å; F103-I751 HydrophobicContact CB-CG2 4.39Å; F103-I751 HydrophobicContact CD1-CG2 4.5Å; F103-I751 HydrophobicContact CD2-CB 4.34Å; F103-I751 HydrophobicContact CD2-CG2 3.67Å; F103-I751 HydrophobicContact CE2-CB 4.21Å; F103-I751 HydrophobicContact CE2-CG2 4.04Å; F103-I751 HydrophobicContact CG-CG2 3.94Å
104	F	94.9	Very high	91.4	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.8	168.9	-59.4	-81	0	0	0	108	L249 L250 L402 N406 L426 V430	F104-L249 WeakPolarHBondContact O-CA 3.17Å; F104-L250 PolarHBondContact N-O 3Å; F104-L250 PolarHBondContact O-N 3.24Å; F104-L402 HydrophobicContact CZ-CB 4.17Å; F104-N406 HydrophobicContact CD1-CB 4.37Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N406 HydrophobicContact CE1-CB 3.81Å; F104-N406 VanDerWaalsContact CE1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.3Å; F104-N406 HydrophobicContact CE2-CB 4.28Å; F104-N406 HydrophobicContact CZ-CB 3.74Å; F104-L426 HydrophobicContact CB-CD1 3.62Å; F104-L426 HydrophobicContact CB-CG 4.43Å; F104-V430 HydrophobicContact CD1-CG2 4.39Å; F104-V430 HydrophobicContact CE1-CB 4.48Å; F104-V430 HydrophobicContact CE1-CG2 3.61Å; F104-V430 HydrophobicContact CZ-CG2 3.99Å
105	R	94.5	Very high	91.3	Very high	98 Å²	98	58 Å²	58	37%	0.37	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	136.3	175.6	-173	-176.2	-169.8	-176.5	6.5	109.8	D247 L249 D427 T431	R105-D247 HydrophobicContact CG-CB 4.19Å; R105-D247 IonicContact CZ-OD1 3.5Å; R105-D247 IonicContact CZ-OD2 3.51Å; R105-D247 IonicContact NE-OD1 3.75Å; R105-D247 PolarHBondContact NE-OD1 2.96Å; R105-D247 IonicContact NE-OD2 2.7Å; R105-D247 IonicContact NH2-OD1 2.62Å; R105-D247 PolarHBondContact NH2-OD1 2.76Å; R105-D247 IonicContact NH2-OD2 3.43Å; R105-L249 HydrophobicContact CB-CD2 4Å; R105-L249 HydrophobicContact CG-CD2 4.21Å; R105-D427 HydrophobicContact CB-CB 4.21Å; R105-D427 PolarHBondContact O-N 2.92Å; R105-T431 PolarHBondContact N-OG1 3.26Å
106	L	92.8	Very high	91.1	Very high	4 Å²	4	54 Å²	54	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109	161.6	-83.1	77.8	0	0	0	107.6	I241 I248 L250 L419 M424 E425 L426	L106-I241 HydrophobicContact CD1-CD1 4.49Å; L106-I241 HydrophobicContact CD2-CD1 3.77Å; L106-I248 HydrophobicContact CB-CB 4.35Å; L106-I248 HydrophobicContact CB-CG2 4.18Å; L106-I248 PolarHBondContact N-O 2.83Å; L106-L250 HydrophobicContact CD1-CB 3.49Å; L106-L250 VanDerWaalsContact CD1-CB 3.49Å; L106-L419 HydrophobicContact CD2-CD2 4.4Å; L106-M424 HydrophobicContact CB-CE 4.2Å; L106-M424 HydrophobicContact CD2-CB 4.4Å; L106-M424 HydrophobicContact CD2-CE 3.7Å; L106-M424 HydrophobicContact CD2-SD 4.06Å; L106-E425 CarbonylContact C-O 3.58Å; L106-E425 WeakPolarHBondContact CA-O 3.44Å; L106-L426 HydrophobicContact CD1-CD1 3.61Å; L106-L426 HydrophobicContact CG-CD1 4.14Å
107	K	91.4	Very high	90.9	Very high	87 Å²	87	50.2 Å²	50.2	38%	0.378	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	136.8	169.5	-74.4	167	170.2	160.3	0	109	M424 E425 D427	K107-M424 CarbonylContact O-C 3.51Å; K107-M424 WeakPolarHBondContact O-CA 3.38Å; K107-E425 HydrophobicContact CB-CB 4.42Å; K107-E425 PolarHBondContact N-O 3.28Å; K107-E425 PolarHBondContact O-N 2.99Å; K107-D427 WeakPolarHBondContact CE-OD1 3.46Å; K107-D427 WeakPolarHBondContact CE-OD2 3.25Å; K107-D427 IonicContact NZ-OD1 3.56Å; K107-D427 PolarHBondContact NZ-OD1 2.85Å; K107-D427 IonicContact NZ-OD2 2.75Å
108	T	87.8	Confident	90.7	Very high	58 Å²	58	51.3 Å²	51.3	36%	0.356	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	169.8	173.5	52.4	0	0	0	0	109.3	W112 I248 M424	T108-W112 HydrophobicContact CG2-CB 4.28Å; T108-W112 HydrophobicContact CG2-CD2 3.72Å; T108-W112 HydrophobicContact CG2-CE3 4.06Å; T108-W112 HydrophobicContact CG2-CG 3.83Å; T108-I248 HydrophobicContact CG2-CD1 4.18Å; T108-M424 HydrophobicContact CG2-CE 3.79Å; T108-M424 HydrophobicContact CG2-CG 4.29Å
109	K	82.8	Confident	90.5	Very high	125 Å²	125	46.8 Å²	46.8	54%	0.543	22%	0.22	S	C	.	.			trans	-62.5	151.7	166.9	-72.8	176.8	169.7	171	0	110.3	E111 W112 N423	K109-E111 VanDerWaalsContact C-N 3.28Å; K109-E111 PolarHBondContact O-N 2.86Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.41Å; K109-W112 PolarHBondContact O-N 2.69Å; K109-N423 HydrophobicContact CD-CB 4.18Å; K109-N423 VanDerWaalsContact CE-OD1 3.24Å; K109-N423 WeakPolarHBondContact CE-OD1 3.5Å; K109-N423 HydrophobicContact CG-CB 4.48Å; K109-N423 PolarHBondContact NZ-OD1 3.43Å
110	P	77.1	Confident	90.4	Very high	140 Å²	140	50 Å²	50	91%	0.909	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-41.4	-178.3	-28.9	36.2	0	0	0	114
111	E	79.1	Confident	90.3	Very high	183 Å²	183	48.2 Å²	48.2	86%	0.855	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	33.7	177.4	-57.9	-165.4	143.2	0	0	113.2	K109 R113	K109-E111 VanDerWaalsContact C-N 3.28Å; K109-E111 PolarHBondContact O-N 2.86Å; E111-R113 PolarHBondContact O-N 2.79Å
112	W	86.6	Confident	90.1	Very high	30 Å²	30	52.5 Å²	52.5	11%	0.114	25%	0.247	C	C	.	.			trans	-68.2	117.4	-179.2	-172.2	91.9	0	0	0	111.9	T108 K109 I114 T156 F193 L197 I248 W422 M424	T108-W112 HydrophobicContact CG2-CB 4.28Å; T108-W112 HydrophobicContact CG2-CD2 3.72Å; T108-W112 HydrophobicContact CG2-CE3 4.06Å; T108-W112 HydrophobicContact CG2-CG 3.83Å; K109-W112 HydrophobicContact CB-CB 4.43Å; K109-W112 WeakPolarHBondContact O-CB 3.41Å; K109-W112 PolarHBondContact O-N 2.69Å; W112-I114 HydrophobicContact CH2-CD1 3.67Å; W112-I114 HydrophobicContact CH2-CG1 3.69Å; W112-I114 HydrophobicContact CZ2-CD1 4.49Å; W112-I114 HydrophobicContact CZ2-CG1 4.16Å; W112-I114 HydrophobicContact CZ3-CD1 4.07Å; W112-I114 HydrophobicContact CZ3-CG1 4.03Å; W112-T156 HydrophobicContact CZ2-CG2 4.44Å; W112-F193 AromaticContact CZ3-CE2 3.78Å; W112-F193 HydrophobicContact CZ3-CE2 3.78Å; W112-F193 AromaticContact CZ3-CZ 3.8Å; W112-F193 HydrophobicContact CZ3-CZ 3.8Å; W112-L197 HydrophobicContact CH2-CD2 3.89Å; W112-I248 HydrophobicContact CE3-CD1 4.26Å; W112-I248 HydrophobicContact CH2-CD1 4.24Å; W112-I248 HydrophobicContact CZ3-CD1 3.73Å; W112-W422 HydrophobicContact CZ2-CE3 4.41Å; W112-W422 PolarHBondContact NE1-O 3.14Å; W112-M424 HydrophobicContact CH2-CE 3.93Å; W112-M424 HydrophobicContact CH2-SD 4.38Å; W112-M424 HydrophobicContact CZ2-CE 3.87Å; W112-M424 HydrophobicContact CZ2-CG 4.13Å; W112-M424 HydrophobicContact CZ2-SD 3.88Å
113	R	87.2	Confident	89.8	Confident	136 Å²	136	56.1 Å²	56.1	51%	0.513	27%	0.27	S	S	.	.			trans	-132.1	140.4	-178.4	-65.8	-90.4	-81.6	-97.6	-5.9	108.7	E111 F185	E111-R113 PolarHBondContact O-N 2.79Å; R113-F185 HydrophobicContact CB-CD1 4Å; R113-F185 HydrophobicContact CB-CE1 4.42Å; R113-F185 VanDerWaalsContact NH2-CD2 3.27Å
114	I	89.9	Confident	89.5	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128	167.5	-62	163.1	0	0	0	107.9	W112 F154 F185 I186 F193 V196 W422	W112-I114 HydrophobicContact CH2-CD1 3.67Å; W112-I114 HydrophobicContact CH2-CG1 3.69Å; W112-I114 HydrophobicContact CZ2-CD1 4.49Å; W112-I114 HydrophobicContact CZ2-CG1 4.16Å; W112-I114 HydrophobicContact CZ3-CD1 4.07Å; W112-I114 HydrophobicContact CZ3-CG1 4.03Å; I114-F154 HydrophobicContact CG2-CB 4.23Å; I114-F185 WeakPolarHBondContact O-CA 3.5Å; I114-I186 HydrophobicContact CB-CB 4.38Å; I114-I186 HydrophobicContact CB-CD1 4.35Å; I114-I186 HydrophobicContact CB-CG1 4.4Å; I114-I186 HydrophobicContact CG2-CD1 3.67Å; I114-I186 HydrophobicContact CG2-CG1 4.08Å; I114-I186 PolarHBondContact O-N 3.18Å; I114-F193 HydrophobicContact CD1-CD2 3.78Å; I114-F193 HydrophobicContact CD1-CE2 3.92Å; I114-V196 HydrophobicContact CD1-CB 4.06Å; I114-V196 HydrophobicContact CD1-CG1 3.63Å; I114-V196 HydrophobicContact CG1-CG1 4.42Å; I114-V196 HydrophobicContact CG2-CG1 4.33Å; I114-W422 HydrophobicContact CG1-CZ3 4.33Å
115	V	91.1	Very high	89	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.3	175.7	-160.4	0	0	0	0	109.1	Y117 F154 T155 K158 F182 F185	V115-Y117 HydrophobicContact CB-CD2 4.41Å; V115-Y117 HydrophobicContact CB-CE2 3.78Å; V115-Y117 HydrophobicContact CG1-CD2 4.09Å; V115-Y117 HydrophobicContact CG1-CE2 3.33Å; V115-F154 WeakPolarHBondContact O-CA 3.39Å; V115-T155 PolarHBondContact N-O 3.06Å; V115-T155 PolarHBondContact O-N 2.62Å; V115-K158 HydrophobicContact CG2-CB 4.32Å; V115-F182 HydrophobicContact CG1-CD2 3.95Å; V115-F182 HydrophobicContact CG1-CE2 3.61Å; V115-F185 HydrophobicContact CG2-CD1 4.13Å; V115-F185 HydrophobicContact CG2-CE1 4.06Å
116	H	92.4	Very high	88.5	Confident	13 Å²	13	65.9 Å²	65.9	6%	0.06	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.5	179	178.3	-154.3	0	0	0	110.1	Q152 F154 V183 G184 I186	H116-Q152 PolarHBondContact NE2-OE1 2.7Å; H116-F154 HydrophobicContact CB-CD1 4.06Å; H116-F154 HydrophobicContact CB-CE1 4.02Å; H116-F154 AromaticContact CD2-CD1 3.84Å; H116-F154 AromaticContact CD2-CE1 3.33Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.49Å; H116-F154 AromaticContact CG-CE1 3.59Å; H116-F154 AromaticContact NE2-CE1 3.95Å; H116-V183 HydrophobicContact CB-CB 4.49Å; H116-V183 WeakPolarHBondContact O-CB 3.21Å; H116-V183 PolarHBondContact O-N 3.44Å; H116-G184 PolarHBondContact N-O 3.42Å; H116-G184 PolarHBondContact O-N 3.47Å; H116-I186 HydrophobicContact CB-CD1 4.42Å; H116-I186 HydrophobicContact CB-CG1 4.08Å
117	Y	92.4	Very high	88.1	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.4	178.3	-69.9	-84.4	0	0	0	111.2	V115 L153 T155 K158 F159 I180 K181 F182	V115-Y117 HydrophobicContact CB-CD2 4.41Å; V115-Y117 HydrophobicContact CB-CE2 3.78Å; V115-Y117 HydrophobicContact CG1-CD2 4.09Å; V115-Y117 HydrophobicContact CG1-CE2 3.33Å; Y117-L153 HydrophobicContact CG-CD2 4.49Å; Y117-L153 PolarHBondContact N-O 2.75Å; Y117-L153 PolarHBondContact O-N 3.07Å; Y117-T155 HydrophobicContact CD2-CG2 4.04Å; Y117-T155 HydrophobicContact CE2-CG2 3.94Å; Y117-K158 WeakPolarHBondContact OH-CA 3.48Å; Y117-F159 HydrophobicContact CD1-CD2 4.22Å; Y117-F159 HydrophobicContact CD2-CE2 4.45Å; Y117-F159 AromaticContact CE1-CD2 3.59Å; Y117-F159 HydrophobicContact CE1-CD2 3.59Å; Y117-F159 HydrophobicContact CE1-CE2 4.3Å; Y117-F159 AromaticContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CE2 4.11Å; Y117-F159 AromaticContact CZ-CD2 3.46Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.46Å; Y117-F159 PolarHBondContact OH-N 2.85Å; Y117-I180 HydrophobicContact CD1-CG2 3.66Å; Y117-I180 HydrophobicContact CE1-CG2 4.5Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; Y117-K181 CarbonylContact C-O 3.4Å; Y117-K181 VanDerWaalsContact CA-O 3.25Å; Y117-K181 WeakPolarHBondContact CA-O 3.43Å; Y117-K181 WeakPolarHBondContact CD1-O 3.49Å; Y117-F182 VanDerWaalsContact CD1-CA 3.49Å; Y117-F182 HydrophobicContact CD1-CB 4.15Å; Y117-F182 HydrophobicContact CE1-CB 3.76Å; Y117-F182 AromaticContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CG 4.27Å; Y117-F182 AromaticContact CZ-CD2 3.87Å
118	H	93.4	Very high	87.6	Confident	49 Å²	49	68.1 Å²	68.1	23%	0.227	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	144.6	166.9	-164.5	76.1	0	0	0	109.6	E120 L151 I180 K181 V183	H118-E120 IonicContact CD2-OE1 3.74Å; H118-E120 PolarHBondContact CD2-OE1 3.07Å; H118-E120 IonicContact NE2-OE1 2.9Å; H118-L151 VanDerWaalsContact CE1-CD1 3.49Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.49Å; H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.43Å; H118-I180 CarbonylContact O-C 3.57Å; H118-I180 WeakPolarHBondContact O-CA 3.37Å; H118-K181 HydrophobicContact CB-CB 4.46Å; H118-K181 PolarHBondContact N-O 2.77Å; H118-K181 PolarHBondContact O-N 3.17Å; H118-V183 HydrophobicContact CB-CG2 3.91Å
119	V	93.1	Very high	87.5	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115.9	-174.8	-169.3	0	0	0	0	111.6	F121 L135 F148 L151 L153 I178 S179 I180	V119-F121 HydrophobicContact CB-CE2 4.29Å; V119-F121 HydrophobicContact CG1-CD2 4.43Å; V119-F121 HydrophobicContact CG1-CE2 3.61Å; V119-F121 HydrophobicContact CG1-CZ 3.67Å; V119-L135 HydrophobicContact CG1-CD1 4.42Å; V119-F148 HydrophobicContact CB-CE2 3.66Å; V119-F148 HydrophobicContact CB-CZ 4Å; V119-F148 HydrophobicContact CG1-CE2 4.24Å; V119-F148 HydrophobicContact CG1-CZ 4.15Å; V119-F148 HydrophobicContact CG2-CD2 4.21Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.36Å; V119-L151 PolarHBondContact N-O 2.86Å; V119-L153 HydrophobicContact CG2-CB 3.57Å; V119-L153 HydrophobicContact CG2-CD2 4.06Å; V119-L153 HydrophobicContact CG2-CG 4.46Å; V119-I178 HydrophobicContact CG1-CG2 3.37Å; V119-S179 WeakPolarHBondContact CA-O 3.37Å; V119-I180 HydrophobicContact CG1-CG1 4.24Å; V119-I180 HydrophobicContact CG2-CG1 4.39Å
120	E	92.8	Very high	87.6	Confident	68 Å²	68	72.7 Å²	72.7	32%	0.318	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	157	174.2	-72.7	157.2	-143.8	0	0	111	H118 I178 S179 K181	H118-E120 IonicContact CD2-OE1 3.74Å; H118-E120 PolarHBondContact CD2-OE1 3.07Å; H118-E120 IonicContact NE2-OE1 2.9Å; E120-I178 WeakPolarHBondContact O-CA 3.47Å; E120-S179 PolarHBondContact N-O 2.92Å; E120-S179 PolarHBondContact O-N 3.49Å; E120-K181 WeakPolarHBondContact OE1-CE 3.36Å; E120-K181 IonicContact OE1-NZ 2.68Å; E120-K181 PolarHBondContact OE1-NZ 3.32Å; E120-K181 VanDerWaalsContact OE2-CE 3.3Å; E120-K181 WeakPolarHBondContact OE2-CE 3.35Å; E120-K181 IonicContact OE2-NZ 2.67Å; E120-K181 PolarHBondContact OE2-NZ 2.99Å
121	F	91.8	Very high	88.2	Confident	11 Å²	11	68.6 Å²	68.6	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.4	-177.3	-61.2	-101.1	0	0	0	109.8	V119 P123 I125 R131 V134 L135 F148 I178	V119-F121 HydrophobicContact CB-CE2 4.29Å; V119-F121 HydrophobicContact CG1-CD2 4.43Å; V119-F121 HydrophobicContact CG1-CE2 3.61Å; V119-F121 HydrophobicContact CG1-CZ 3.67Å; F121-P123 CarbonylContact C-O 3.6Å; F121-P123 CarbonylContact O-C 3.55Å; F121-I125 HydrophobicContact CB-CD1 4.34Å; F121-I125 HydrophobicContact CB-CG1 4.47Å; F121-I125 HydrophobicContact CD1-CD1 4.05Å; F121-I125 HydrophobicContact CG-CD1 4.36Å; F121-R131 HydrophobicContact CD2-CB 4.34Å; F121-R131 HydrophobicContact CD2-CG 3.89Å; F121-R131 HydrophobicContact CE1-CB 4.2Å; F121-R131 HydrophobicContact CE2-CB 3.77Å; F121-R131 HydrophobicContact CE2-CG 3.81Å; F121-R131 HydrophobicContact CG-CG 4.34Å; F121-R131 HydrophobicContact CZ-CB 3.69Å; F121-R131 HydrophobicContact CZ-CG 4.16Å; F121-V134 HydrophobicContact CD1-CG1 4.14Å; F121-V134 HydrophobicContact CE1-CB 4.38Å; F121-V134 HydrophobicContact CE1-CG1 3.99Å; F121-L135 HydrophobicContact CZ-CB 4.37Å; F121-F148 HydrophobicContact CE2-CE1 4.45Å; F121-F148 AromaticContact CE2-CZ 3.84Å; F121-F148 HydrophobicContact CE2-CZ 3.84Å; F121-F148 AromaticContact CZ-CE1 3.99Å; F121-F148 HydrophobicContact CZ-CE1 3.99Å; F121-F148 AromaticContact CZ-CZ 3.75Å; F121-F148 HydrophobicContact CZ-CZ 3.75Å; F121-I178 HydrophobicContact CD1-CG1 4.05Å; F121-I178 HydrophobicContact CD1-CG2 4.31Å; F121-I178 HydrophobicContact CE1-CD1 4.08Å; F121-I178 HydrophobicContact CE1-CG1 4.07Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.3Å
122	E	90.6	Very high	88.6	Confident	90 Å²	90	63.8 Å²	63.8	42%	0.421	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.2	168.8	-64.9	163.7	-162.3	0	0	107.3	Y176 K177	E122-Y176 CarbonylContact O-C 3.58Å; E122-Y176 VanDerWaalsContact O-CA 3.24Å; E122-Y176 WeakPolarHBondContact O-CA 3.35Å; E122-K177 HydrophobicContact CB-CB 4.32Å; E122-K177 VanDerWaalsContact CD-NZ 3.27Å; E122-K177 PolarHBondContact N-O 3.22Å; E122-K177 PolarHBondContact O-N 2.69Å; E122-K177 IonicContact OE1-NZ 3.11Å; E122-K177 PolarHBondContact OE1-NZ 2.77Å; E122-K177 VanDerWaalsContact OE1-NZ 3.11Å; E122-K177 WeakPolarHBondContact OE2-CD 3.32Å; E122-K177 IonicContact OE2-NZ 2.64Å; E122-K177 PolarHBondContact OE2-NZ 2.79Å
123	P	88.8	Confident	88.6	Confident	76 Å²	76	63.9 Å²	63.9	49%	0.494	32%	0.322	S	S	.	.	S	Bend	cis	-66.6	159.8	-9.6	30.8	-36.3	0	0	0	112.9	F121 I125 I174 E175	F121-P123 CarbonylContact C-O 3.6Å; F121-P123 CarbonylContact O-C 3.55Å; P123-I125 PolarHBondContact O-N 2.88Å; P123-I174 HydrophobicContact CG-CG2 4.38Å; P123-E175 WeakPolarHBondContact CD-O 3.22Å
124	S	88.3	Confident	88.7	Confident	110 Å²	110	58 Å²	58	77%	0.769	30%	0.302	S	S	*	.			trans	-63.3	100.5	-176.1	-65	0	0	0	0	113.6
125	I	86.2	Confident	88.7	Confident	30 Å²	30	58 Å²	58	15%	0.154	30%	0.302	C	S	.	.			trans	-79.8	118.4	174.7	-57.4	171.3	0	0	0	109.8	F121 P123 V130 R131 V134	F121-I125 HydrophobicContact CB-CD1 4.34Å; F121-I125 HydrophobicContact CB-CG1 4.47Å; F121-I125 HydrophobicContact CD1-CD1 4.05Å; F121-I125 HydrophobicContact CG-CD1 4.36Å; P123-I125 PolarHBondContact O-N 2.88Å; I125-V130 HydrophobicContact CD1-CG1 4.37Å; I125-V130 HydrophobicContact CG2-CB 3.74Å; I125-V130 HydrophobicContact CG2-CG1 3.82Å; I125-R131 HydrophobicContact CB-CG 3.85Å; I125-R131 HydrophobicContact CG2-CG 3.79Å; I125-R131 VanDerWaalsContact O-CZ 3.27Å; I125-R131 PolarHBondContact O-NE 3.37Å; I125-R131 PolarHBondContact O-NH2 3.43Å; I125-V134 HydrophobicContact CD1-CB 4.48Å; I125-V134 HydrophobicContact CD1-CG2 4.07Å
126	E	84.1	Confident	88.5	Confident	171 Å²	171	60.4 Å²	60.4	80%	0.799	32%	0.319	S	S	*	.			trans	-71.7	-38	175.6	-71.1	-152.3	133.9	0	0	113.9	P128	E126-P128 VanDerWaalsContact O-CD 3.31Å; E126-P128 WeakPolarHBondContact O-CD 3.22Å
127	N	83.3	Confident	88.2	Confident	81 Å²	81	64.8 Å²	64.8	43%	0.433	34%	0.342	S	S	.	.			trans	-84.6	115.1	-168.3	-172.7	-29.7	0	0	0	111.6	R129 V130 R131	N127-R129 PolarHBondContact O-N 3.38Å; N127-R129 VanDerWaalsContact O-N 3.15Å; N127-R129 WeakPolarHBondContact OD1-CB 2.97Å; N127-R129 PolarHBondContact OD1-N 2.97Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.9Å; N127-V130 PolarHBondContact O-N 3.25Å; N127-R131 PolarHBondContact O-N 2.91Å; N127-R131 VanDerWaalsContact O-N 3.16Å
128	P	82.1	Confident	88	Confident	58 Å²	58	66.5 Å²	66.5	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-29.6	-176.8	-25.6	36.2	0	0	0	113.8	E126 V130 R131 M132	E126-P128 VanDerWaalsContact O-CD 3.31Å; E126-P128 WeakPolarHBondContact O-CD 3.22Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 2.94Å; P128-R131 WeakPolarHBondContact O-CB 3.48Å; P128-R131 PolarHBondContact O-N 3.28Å; P128-M132 WeakPolarHBondContact O-CB 3.46Å; P128-M132 VanDerWaalsContact O-CG 3.23Å; P128-M132 WeakPolarHBondContact O-CG 3.24Å; P128-M132 PolarHBondContact O-N 2.81Å
129	R	84.6	Confident	87.4	Confident	208 Å²	208	65.6 Å²	65.6	79%	0.785	35%	0.351	S	S	*	.	H	α-helix	trans	-68	-33.2	177	-62.4	-176.4	-174.4	153.5	5.5	112.3	N127 G133	N127-R129 PolarHBondContact O-N 3.38Å; N127-R129 VanDerWaalsContact O-N 3.15Å; N127-R129 WeakPolarHBondContact OD1-CB 2.97Å; N127-R129 PolarHBondContact OD1-N 2.97Å; R129-G133 PolarHBondContact O-N 3.08Å
130	V	86.1	Confident	86.8	Confident	71 Å²	71	73.2 Å²	73.2	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-72.6	-43.5	176	-178.3	0	0	0	0	109.4	I125 N127 P128 M132 G133 V134	I125-V130 HydrophobicContact CD1-CG1 4.37Å; I125-V130 HydrophobicContact CG2-CB 3.74Å; I125-V130 HydrophobicContact CG2-CG1 3.82Å; N127-V130 HydrophobicContact CB-CB 4.29Å; N127-V130 HydrophobicContact CB-CG2 3.9Å; N127-V130 PolarHBondContact O-N 3.25Å; P128-V130 VanDerWaalsContact C-N 3.31Å; P128-V130 PolarHBondContact O-N 2.94Å; V130-M132 VanDerWaalsContact C-N 3.33Å; V130-M132 PolarHBondContact O-N 3.35Å; V130-G133 PolarHBondContact O-N 3.23Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CB 3.4Å; V130-V134 WeakPolarHBondContact O-CG2 3.2Å; V130-V134 PolarHBondContact O-N 3.11Å
131	R	88.6	Confident	86.2	Confident	54 Å²	54	73 Å²	73	20%	0.204	39%	0.392	C	S	.	.	H	α-helix	trans	-53.9	-47.7	170.3	-65.3	-175.8	-175.8	-157.2	-6.3	112.3	F121 I125 N127 P128 V134 L135 F148 G150	F121-R131 HydrophobicContact CD2-CB 4.34Å; F121-R131 HydrophobicContact CD2-CG 3.89Å; F121-R131 HydrophobicContact CE1-CB 4.2Å; F121-R131 HydrophobicContact CE2-CB 3.77Å; F121-R131 HydrophobicContact CE2-CG 3.81Å; F121-R131 HydrophobicContact CG-CG 4.34Å; F121-R131 HydrophobicContact CZ-CB 3.69Å; F121-R131 HydrophobicContact CZ-CG 4.16Å; I125-R131 HydrophobicContact CB-CG 3.85Å; I125-R131 HydrophobicContact CG2-CG 3.79Å; I125-R131 VanDerWaalsContact O-CZ 3.27Å; I125-R131 PolarHBondContact O-NE 3.37Å; I125-R131 PolarHBondContact O-NH2 3.43Å; N127-R131 PolarHBondContact O-N 2.91Å; N127-R131 VanDerWaalsContact O-N 3.16Å; P128-R131 WeakPolarHBondContact O-CB 3.48Å; P128-R131 PolarHBondContact O-N 3.28Å; R131-V134 PolarHBondContact O-N 2.96Å; R131-L135 WeakPolarHBondContact O-CB 3.2Å; R131-L135 PolarHBondContact O-N 2.95Å; R131-F148 HydrophobicContact CB-CE1 4.22Å; R131-G150 WeakPolarHBondContact CD-O 3.45Å; R131-G150 PolarHBondContact NH1-O 2.77Å
132	M	87.6	Confident	85.6	Confident	82 Å²	82	72.4 Å²	72.4	40%	0.404	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-42.3	177.4	-70.4	171.3	75.1	0	0	112.2	P128 V130 S136 F148	P128-M132 WeakPolarHBondContact O-CB 3.46Å; P128-M132 VanDerWaalsContact O-CG 3.23Å; P128-M132 WeakPolarHBondContact O-CG 3.24Å; P128-M132 PolarHBondContact O-N 2.81Å; V130-M132 VanDerWaalsContact C-N 3.33Å; V130-M132 PolarHBondContact O-N 3.35Å; M132-S136 VanDerWaalsContact O-CB 3.27Å; M132-S136 WeakPolarHBondContact O-CB 3.35Å; M132-S136 PolarHBondContact O-N 3.36Å; M132-S136 PolarHBondContact O-OG 2.9Å; M132-F148 HydrophobicContact CB-CD1 4.3Å; M132-F148 WeakPolarHBondContact CE-O 3.45Å; M132-F148 HydrophobicContact CG-CD1 3.74Å; M132-F148 HydrophobicContact CG-CE1 4.13Å
133	G	87.2	Confident	84.8	Confident	31 Å²	31	69.2 Å²	69.2	32%	0.32	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-48	175.2	0	0	0	0	0	112.5	R129 V130 S136 N137	R129-G133 PolarHBondContact O-N 3.08Å; V130-G133 PolarHBondContact O-N 3.23Å; G133-S136 PolarHBondContact O-N 3.27Å; G133-S136 VanDerWaalsContact O-N 3.13Å; G133-S136 PolarHBondContact O-OG 3.1Å; G133-N137 PolarHBondContact O-N 2.88Å
134	V	88.9	Confident	84	Confident	14 Å²	14	69 Å²	69	9%	0.085	38%	0.381	C	S	.	.	H	α-helix	trans	-59.5	-48.8	177.9	166.8	0	0	0	0	111.2	F121 I125 V130 R131 S136 N137 Y176 I178	F121-V134 HydrophobicContact CD1-CG1 4.14Å; F121-V134 HydrophobicContact CE1-CB 4.38Å; F121-V134 HydrophobicContact CE1-CG1 3.99Å; I125-V134 HydrophobicContact CD1-CB 4.48Å; I125-V134 HydrophobicContact CD1-CG2 4.07Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CB 3.4Å; V130-V134 WeakPolarHBondContact O-CG2 3.2Å; V130-V134 PolarHBondContact O-N 3.11Å; R131-V134 PolarHBondContact O-N 2.96Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.96Å; V134-N137 WeakPolarHBondContact O-CB 3.46Å; V134-N137 PolarHBondContact O-N 2.85Å; V134-N137 PolarHBondContact O-ND2 3.25Å; V134-Y176 HydrophobicContact CG1-CD1 4.02Å; V134-Y176 HydrophobicContact CG1-CD2 3.53Å; V134-Y176 HydrophobicContact CG1-CE1 3.95Å; V134-Y176 HydrophobicContact CG1-CE2 3.5Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.5Å; V134-Y176 HydrophobicContact CG1-CG 3.83Å; V134-I178 HydrophobicContact CG1-CD1 3.98Å; V134-I178 HydrophobicContact CG1-CG1 4.42Å
135	L	88.9	Confident	83.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-32.8	176	-172	68.8	0	0	0	112	V119 F121 R131 N137 H138 L142 F148 L153 I178 I180	V119-L135 HydrophobicContact CG1-CD1 4.42Å; F121-L135 HydrophobicContact CZ-CB 4.37Å; R131-L135 WeakPolarHBondContact O-CB 3.2Å; R131-L135 PolarHBondContact O-N 2.95Å; L135-N137 PolarHBondContact O-N 3.27Å; L135-H138 PolarHBondContact O-N 3.26Å; L135-L142 HydrophobicContact CD1-CD1 4.17Å; L135-L142 HydrophobicContact CD1-CD2 4.35Å; L135-L142 HydrophobicContact CD2-CD1 4.19Å; L135-L142 HydrophobicContact CG-CD1 3.82Å; L135-F148 HydrophobicContact CB-CD1 4.22Å; L135-F148 HydrophobicContact CB-CE1 4.06Å; L135-F148 HydrophobicContact CD2-CB 4.08Å; L135-F148 HydrophobicContact CD2-CD1 3.37Å; L135-F148 HydrophobicContact CD2-CD2 3.78Å; L135-F148 HydrophobicContact CD2-CE1 3.6Å; L135-F148 HydrophobicContact CD2-CE2 4.03Å; L135-F148 HydrophobicContact CD2-CG 3.46Å; L135-F148 VanDerWaalsContact CD2-CG 3.46Å; L135-F148 HydrophobicContact CD2-CZ 3.93Å; L135-F148 HydrophobicContact CG-CD1 4.4Å; L135-F148 HydrophobicContact CG-CE1 4.46Å; L135-L153 HydrophobicContact CD2-CD1 4.37Å; L135-I178 HydrophobicContact CD1-CD1 3.97Å; L135-I178 HydrophobicContact CD1-CG2 4.13Å; L135-I180 HydrophobicContact CD1-CD1 4.09Å
136	S	87.4	Confident	83.9	Confident	52 Å²	52	64 Å²	64	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-67.3	-20.6	-179.2	75.3	0	0	0	0	114.6	M132 G133 V134 H138 A139 Y146	M132-S136 VanDerWaalsContact O-CB 3.27Å; M132-S136 WeakPolarHBondContact O-CB 3.35Å; M132-S136 PolarHBondContact O-N 3.36Å; M132-S136 PolarHBondContact O-OG 2.9Å; G133-S136 PolarHBondContact O-N 3.27Å; G133-S136 VanDerWaalsContact O-N 3.13Å; G133-S136 PolarHBondContact O-OG 3.1Å; V134-S136 VanDerWaalsContact C-N 3.27Å; V134-S136 PolarHBondContact O-N 2.96Å; S136-H138 PolarHBondContact O-N 3Å; S136-A139 VanDerWaalsContact O-CB 3.32Å; S136-A139 WeakPolarHBondContact O-CB 3.24Å; S136-A139 PolarHBondContact O-N 3.36Å; S136-Y146 WeakPolarHBondContact CA-OH 3.43Å; S136-Y146 WeakPolarHBondContact CB-OH 3.41Å
137	N	87.3	Confident	84.1	Confident	104 Å²	104	57.1 Å²	57.1	56%	0.556	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28	169.8	-60.7	-30.2	0	0	0	111.9	G133 V134 L135 Y176	G133-N137 PolarHBondContact O-N 2.88Å; V134-N137 WeakPolarHBondContact O-CB 3.46Å; V134-N137 PolarHBondContact O-N 2.85Å; V134-N137 PolarHBondContact O-ND2 3.25Å; L135-N137 PolarHBondContact O-N 3.27Å; N137-Y176 PolarHBondContact ND2-OH 3.19Å
138	H	87	Confident	84.3	Confident	37 Å²	37	54.2 Å²	54.2	17%	0.171	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	12.7	-177.2	-62.7	-87.4	0	0	0	113.3	L135 S136 N140 L141 L142 L166 S167 Y176	L135-H138 PolarHBondContact O-N 3.26Å; S136-H138 PolarHBondContact O-N 3Å; H138-N140 PolarHBondContact O-N 3.13Å; H138-L141 PolarHBondContact O-N 3.37Å; H138-L142 PolarHBondContact O-N 2.91Å; H138-L166 HydrophobicContact CB-CD1 3.84Å; H138-S167 PolarHBondContact CE1-O 2.91Å; H138-Y176 AromaticContact NE2-CE2 3.58Å; H138-Y176 AromaticContact NE2-CZ 3.81Å; H138-Y176 PolarHBondContact NE2-OH 2.82Å; H138-Y176 VanDerWaalsContact NE2-OH 3.13Å
139	A	81.1	Confident	84.2	Confident	30 Å²	30	54.6 Å²	54.6	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-51.6	-33.9	-174.2	0	0	0	0	0	114.4	S136 L141 L142 G143 Y146	S136-A139 VanDerWaalsContact O-CB 3.32Å; S136-A139 WeakPolarHBondContact O-CB 3.24Å; S136-A139 PolarHBondContact O-N 3.36Å; A139-L141 PolarHBondContact O-N 3.27Å; A139-L142 PolarHBondContact O-N 2.95Å; A139-G143 PolarHBondContact O-N 3.44Å; A139-Y146 HydrophobicContact CB-CE1 3.92Å
140	N	80.4	Confident	84.1	Confident	160 Å²	160	44.8 Å²	44.8	86%	0.856	26%	0.259	S	S	*	.	H	α-helix	trans	-58.1	-34.7	177.6	-63.6	-5.6	0	0	0	112.6	H138	H138-N140 PolarHBondContact O-N 3.13Å
141	L	81.1	Confident	84.1	Confident	62 Å²	62	44.3 Å²	44.3	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-80.9	-39.4	178.9	-169.7	72.4	0	0	0	112	H138 A139 G143 R157 F159 T164 L166	H138-L141 PolarHBondContact O-N 3.37Å; A139-L141 PolarHBondContact O-N 3.27Å; L141-G143 PolarHBondContact O-N 3.36Å; L141-G143 VanDerWaalsContact O-N 3.13Å; L141-R157 VanDerWaalsContact O-CD 3.29Å; L141-R157 WeakPolarHBondContact O-CD 3.4Å; L141-R157 PolarHBondContact O-NH1 3.01Å; L141-F159 HydrophobicContact CG-CE1 4.16Å; L141-T164 HydrophobicContact CD2-CG2 4.38Å; L141-L166 HydrophobicContact CD2-CD1 4.13Å; L141-L166 HydrophobicContact CD2-CD2 3.29Å; L141-L166 HydrophobicContact CD2-CG 4.34Å
142	L	78.9	Confident	84.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.9	-17.1	-178.3	-53.5	177.2	0	0	0	113.7	L135 H138 A139 Y146 L153 T155 F159 I180	L135-L142 HydrophobicContact CD1-CD1 4.17Å; L135-L142 HydrophobicContact CD1-CD2 4.35Å; L135-L142 HydrophobicContact CD2-CD1 4.19Å; L135-L142 HydrophobicContact CG-CD1 3.82Å; H138-L142 PolarHBondContact O-N 2.91Å; A139-L142 PolarHBondContact O-N 2.95Å; L142-Y146 HydrophobicContact CB-CD1 3.88Å; L142-Y146 HydrophobicContact CB-CE1 4.4Å; L142-Y146 HydrophobicContact CB-CG 4.21Å; L142-Y146 HydrophobicContact CD1-CD1 3.95Å; L142-Y146 HydrophobicContact CD1-CD2 4.09Å; L142-Y146 HydrophobicContact CD1-CE1 3.83Å; L142-Y146 HydrophobicContact CD1-CE2 3.98Å; L142-Y146 HydrophobicContact CD1-CG 4.09Å; L142-L153 HydrophobicContact CD2-CD2 4.12Å; L142-T155 PolarHBondContact O-OG1 3.09Å; L142-F159 HydrophobicContact CD2-CZ 4.07Å; L142-I180 HydrophobicContact CD2-CD1 3.92Å
143	G	73.2	Confident	84.4	Confident	22 Å²	22	39.9 Å²	39.9	23%	0.227	23%	0.234	C	C	.	.			trans	89.8	160.6	-168.5	0	0	0	0	0	111.6	A139 L141 G145	A139-G143 PolarHBondContact O-N 3.44Å; L141-G143 PolarHBondContact O-N 3.36Å; L141-G143 VanDerWaalsContact O-N 3.13Å; G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.34Å
144	S	72.2	Confident	84.6	Confident	72 Å²	72	39.8 Å²	39.8	50%	0.503	23%	0.225	S	C	.	.	S	Bend	trans	-56.9	-42.5	-179	40.3	0	0	0	0	112.9	D421	S144-D421 PolarHBondContact OG-O 3.34Å; S144-D421 VanDerWaalsContact OG-O 3.11Å
145	G	81.5	Confident	84.7	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.01	22%	0.221	C	C	.	.			trans	-102.4	101.4	179.2	0	0	0	0	0	113.7	G143 D421	G143-G145 VanDerWaalsContact C-N 3.32Å; G143-G145 PolarHBondContact O-N 3.34Å; G145-D421 VanDerWaalsContact CA-O 3.24Å; G145-D421 WeakPolarHBondContact CA-O 3.12Å; G145-D421 PolarHBondContact N-O 3.48Å
146	Y	90.3	Very high	84.6	Confident	35 Å²	35	40.9 Å²	40.9	14%	0.137	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.5	166	75.7	-87.7	0	0	0	113	S136 A139 L142 F148 L153 F154 R203	S136-Y146 WeakPolarHBondContact CA-OH 3.43Å; S136-Y146 WeakPolarHBondContact CB-OH 3.41Å; A139-Y146 HydrophobicContact CB-CE1 3.92Å; L142-Y146 HydrophobicContact CB-CD1 3.88Å; L142-Y146 HydrophobicContact CB-CE1 4.4Å; L142-Y146 HydrophobicContact CB-CG 4.21Å; L142-Y146 HydrophobicContact CD1-CD1 3.95Å; L142-Y146 HydrophobicContact CD1-CD2 4.09Å; L142-Y146 HydrophobicContact CD1-CE1 3.83Å; L142-Y146 HydrophobicContact CD1-CE2 3.98Å; L142-Y146 HydrophobicContact CD1-CG 4.09Å; Y146-F148 HydrophobicContact CD2-CB 4.14Å; Y146-F148 HydrophobicContact CE2-CB 4.17Å; Y146-L153 HydrophobicContact CD2-CD1 3.83Å; Y146-L153 HydrophobicContact CG-CD1 4.26Å; Y146-F154 CarbonylContact C-O 3.55Å; Y146-F154 VanDerWaalsContact CA-O 3.24Å; Y146-F154 WeakPolarHBondContact CA-O 3.47Å; Y146-F154 WeakPolarHBondContact CB-O 3.24Å; Y146-R203 PolarHBondContact O-NH1 2.72Å
147	L	88.6	Confident	84.6	Confident	26 Å²	26	43.5 Å²	43.5	14%	0.136	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.3	172.8	-82.3	164.3	0	0	0	108.2	L153 F154 V196 L199 I200 W422	L147-L153 WeakPolarHBondContact O-CA 3.36Å; L147-F154 HydrophobicContact CB-CB 4.41Å; L147-F154 HydrophobicContact CB-CD2 4.43Å; L147-F154 PolarHBondContact N-O 2.85Å; L147-F154 PolarHBondContact O-N 3.26Å; L147-V196 HydrophobicContact CD1-CG1 4.13Å; L147-L199 HydrophobicContact CD1-CB 3.55Å; L147-L199 HydrophobicContact CD1-CD1 4.36Å; L147-L199 HydrophobicContact CD2-CB 4.08Å; L147-L199 HydrophobicContact CG-CB 4.49Å; L147-I200 HydrophobicContact CD1-CG1 3.89Å; L147-W422 HydrophobicContact CB-CZ2 4.05Å; L147-W422 HydrophobicContact CD1-CH2 4.25Å; L147-W422 HydrophobicContact CD1-CZ2 3.78Å; L147-W422 HydrophobicContact CG-CZ2 3.75Å
148	F	87.9	Confident	84.6	Confident	19 Å²	19	44.3 Å²	44.3	8%	0.083	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	136.1	-177.6	-179.7	-123.1	0	0	0	109.9	V119 F121 R131 M132 L135 Y146 Q152 L153	V119-F148 HydrophobicContact CB-CE2 3.66Å; V119-F148 HydrophobicContact CB-CZ 4Å; V119-F148 HydrophobicContact CG1-CE2 4.24Å; V119-F148 HydrophobicContact CG1-CZ 4.15Å; V119-F148 HydrophobicContact CG2-CD2 4.21Å; V119-F148 HydrophobicContact CG2-CE2 3.64Å; V119-F148 HydrophobicContact CG2-CZ 4.36Å; F121-F148 HydrophobicContact CE2-CE1 4.45Å; F121-F148 AromaticContact CE2-CZ 3.84Å; F121-F148 HydrophobicContact CE2-CZ 3.84Å; F121-F148 AromaticContact CZ-CE1 3.99Å; F121-F148 HydrophobicContact CZ-CE1 3.99Å; F121-F148 AromaticContact CZ-CZ 3.75Å; F121-F148 HydrophobicContact CZ-CZ 3.75Å; R131-F148 HydrophobicContact CB-CE1 4.22Å; M132-F148 HydrophobicContact CB-CD1 4.3Å; M132-F148 WeakPolarHBondContact CE-O 3.45Å; M132-F148 HydrophobicContact CG-CD1 3.74Å; M132-F148 HydrophobicContact CG-CE1 4.13Å; L135-F148 HydrophobicContact CB-CD1 4.22Å; L135-F148 HydrophobicContact CB-CE1 4.06Å; L135-F148 HydrophobicContact CD2-CB 4.08Å; L135-F148 HydrophobicContact CD2-CD1 3.37Å; L135-F148 HydrophobicContact CD2-CD2 3.78Å; L135-F148 HydrophobicContact CD2-CE1 3.6Å; L135-F148 HydrophobicContact CD2-CE2 4.03Å; L135-F148 HydrophobicContact CD2-CG 3.46Å; L135-F148 VanDerWaalsContact CD2-CG 3.46Å; L135-F148 HydrophobicContact CD2-CZ 3.93Å; L135-F148 HydrophobicContact CG-CD1 4.4Å; L135-F148 HydrophobicContact CG-CE1 4.46Å; Y146-F148 HydrophobicContact CD2-CB 4.14Å; Y146-F148 HydrophobicContact CE2-CB 4.17Å; F148-Q152 WeakPolarHBondContact CA-O 3.41Å; F148-Q152 VanDerWaalsContact CD2-O 3.28Å; F148-Q152 WeakPolarHBondContact CD2-O 3.3Å; F148-L153 HydrophobicContact CB-CD1 4.23Å; F148-L153 HydrophobicContact CD2-CB 3.92Å
149	D	80.6	Confident	84.7	Confident	66 Å²	66	43.1 Å²	43.1	35%	0.353	23%	0.227	S	C	.	.			trans	-107.3	-3.4	-178.2	71.4	-3.3	0	0	0	114.4	L151 Q152	D149-L151 PolarHBondContact OD1-N 3.4Å; D149-Q152 PolarHBondContact N-O 3.15Å; D149-Q152 PolarHBondContact OD1-N 3.24Å
150	G	81.8	Confident	84.9	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.031	26%	0.257	C	S	.	.	S	Bend	trans	108.1	-5.7	-170.5	0	0	0	0	0	114.2	R131	R131-G150 WeakPolarHBondContact CD-O 3.45Å; R131-G150 PolarHBondContact NH1-O 2.77Å
151	L	86.5	Confident	85.2	Confident	61 Å²	61	49 Å²	49	32%	0.319	24%	0.244	S	C	.	.	S	Bend	trans	-146.2	-43.8	177.5	-170.2	73.4	0	0	0	112.7	H118 V119 D149	H118-L151 VanDerWaalsContact CE1-CD1 3.49Å; H118-L151 WeakPolarHBondContact CE1-CD1 3.49Å; H118-L151 VanDerWaalsContact CE1-CG 3.45Å; H118-L151 WeakPolarHBondContact CE1-CG 3.43Å; V119-L151 PolarHBondContact N-O 2.86Å; D149-L151 PolarHBondContact OD1-N 3.4Å
152	Q	89.9	Confident	85.3	Confident	42 Å²	42	52.9 Å²	52.9	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.4	-176.8	-51.1	-64.1	-11.6	0	0	110	H116 F148 D149 F154	H116-Q152 PolarHBondContact NE2-OE1 2.7Å; F148-Q152 WeakPolarHBondContact CA-O 3.41Å; F148-Q152 VanDerWaalsContact CD2-O 3.28Å; F148-Q152 WeakPolarHBondContact CD2-O 3.3Å; D149-Q152 PolarHBondContact N-O 3.15Å; D149-Q152 PolarHBondContact OD1-N 3.24Å; Q152-F154 HydrophobicContact CB-CE2 4.27Å; Q152-F154 HydrophobicContact CB-CZ 4.17Å
153	L	90.9	Very high	85.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133	-179.4	168.5	67.9	0	0	0	110.3	Y117 V119 L135 L142 Y146 L147 F148 I180	Y117-L153 HydrophobicContact CG-CD2 4.49Å; Y117-L153 PolarHBondContact N-O 2.75Å; Y117-L153 PolarHBondContact O-N 3.07Å; V119-L153 HydrophobicContact CG2-CB 3.57Å; V119-L153 HydrophobicContact CG2-CD2 4.06Å; V119-L153 HydrophobicContact CG2-CG 4.46Å; L135-L153 HydrophobicContact CD2-CD1 4.37Å; L142-L153 HydrophobicContact CD2-CD2 4.12Å; Y146-L153 HydrophobicContact CD2-CD1 3.83Å; Y146-L153 HydrophobicContact CG-CD1 4.26Å; L147-L153 WeakPolarHBondContact O-CA 3.36Å; F148-L153 HydrophobicContact CB-CD1 4.23Å; F148-L153 HydrophobicContact CD2-CB 3.92Å; L153-I180 HydrophobicContact CD2-CD1 4.39Å; L153-I180 HydrophobicContact CD2-CG2 3.94Å
154	F	91.6	Very high	86.6	Confident	30 Å²	30	56.3 Å²	56.3	13%	0.132	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	131.1	174.4	-51.8	-70.6	0	0	0	109.9	I114 V115 H116 Y146 L147 Q152 I186 V196 W422	I114-F154 HydrophobicContact CG2-CB 4.23Å; V115-F154 WeakPolarHBondContact O-CA 3.39Å; H116-F154 HydrophobicContact CB-CD1 4.06Å; H116-F154 HydrophobicContact CB-CE1 4.02Å; H116-F154 AromaticContact CD2-CD1 3.84Å; H116-F154 AromaticContact CD2-CE1 3.33Å; H116-F154 WeakPolarHBondContact CD2-CE1 3.49Å; H116-F154 AromaticContact CG-CE1 3.59Å; H116-F154 AromaticContact NE2-CE1 3.95Å; Y146-F154 CarbonylContact C-O 3.55Å; Y146-F154 VanDerWaalsContact CA-O 3.24Å; Y146-F154 WeakPolarHBondContact CA-O 3.47Å; Y146-F154 WeakPolarHBondContact CB-O 3.24Å; L147-F154 HydrophobicContact CB-CB 4.41Å; L147-F154 HydrophobicContact CB-CD2 4.43Å; L147-F154 PolarHBondContact N-O 2.85Å; L147-F154 PolarHBondContact O-N 3.26Å; Q152-F154 HydrophobicContact CB-CE2 4.27Å; Q152-F154 HydrophobicContact CB-CZ 4.17Å; F154-I186 HydrophobicContact CD1-CD1 3.67Å; F154-I186 HydrophobicContact CE1-CD1 3.73Å; F154-V196 HydrophobicContact CB-CG2 4.24Å; F154-V196 HydrophobicContact CD1-CG2 4.1Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE1-CG2 4.43Å; F154-V196 HydrophobicContact CE2-CG2 4.27Å; F154-V196 HydrophobicContact CG-CG2 3.8Å; F154-W422 HydrophobicContact CB-CH2 4.15Å; F154-W422 WeakPolarHBondContact O-CH2 3.27Å
155	T	91.3	Very high	87.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	166.9	178.5	175	0	0	0	0	109.8	V115 Y117 L142 R157	V115-T155 PolarHBondContact N-O 3.06Å; V115-T155 PolarHBondContact O-N 2.62Å; Y117-T155 HydrophobicContact CD2-CG2 4.04Å; Y117-T155 HydrophobicContact CE2-CG2 3.94Å; L142-T155 PolarHBondContact O-OG1 3.09Å; T155-R157 VanDerWaalsContact CG2-O 3.3Å; T155-R157 WeakPolarHBondContact CG2-O 3.32Å; T155-R157 PolarHBondContact OG1-N 2.9Å; T155-R157 VanDerWaalsContact OG1-N 3.09Å
156	T	87.7	Confident	87.7	Confident	37 Å²	37	56.9 Å²	56.9	23%	0.227	27%	0.273	C	S	.	.	S	Bend	trans	-89.8	-10.1	167.7	60.5	0	0	0	0	113.1	W112 W422 N423	W112-T156 HydrophobicContact CZ2-CG2 4.44Å; T156-W422 HydrophobicContact CG2-CE3 3.7Å; T156-W422 HydrophobicContact CG2-CZ3 4.13Å; T156-N423 PolarHBondContact OG1-ND2 2.67Å
157	R	87.3	Confident	87.6	Confident	107 Å²	107	59.4 Å²	59.4	40%	0.404	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-84.4	126.4	176.1	-172.2	179.7	-173.6	167.4	6.3	109.9	L141 T155	L141-R157 VanDerWaalsContact O-CD 3.29Å; L141-R157 WeakPolarHBondContact O-CD 3.4Å; L141-R157 PolarHBondContact O-NH1 3.01Å; T155-R157 VanDerWaalsContact CG2-O 3.3Å; T155-R157 WeakPolarHBondContact CG2-O 3.32Å; T155-R157 PolarHBondContact OG1-N 2.9Å; T155-R157 VanDerWaalsContact OG1-N 3.09Å
158	K	88	Confident	87.5	Confident	120 Å²	120	59.3 Å²	59.3	52%	0.522	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-86.5	128.3	161.9	-159.7	-151.8	174.3	-164.5	0	108.5	V115 Y117 F182 F185	V115-K158 HydrophobicContact CG2-CB 4.32Å; Y117-K158 WeakPolarHBondContact OH-CA 3.48Å; K158-F182 HydrophobicContact CG-CE2 4.45Å; K158-F185 HydrophobicContact CD-CZ 4.28Å
159	F	88.8	Confident	87.3	Confident	12 Å²	12	63.2 Å²	63.2	5%	0.053	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-75.4	153.2	163.2	-56.1	-59.4	0	0	0	110.6	Y117 L141 L142 T164 I180	Y117-F159 HydrophobicContact CD1-CD2 4.22Å; Y117-F159 HydrophobicContact CD2-CE2 4.45Å; Y117-F159 AromaticContact CE1-CD2 3.59Å; Y117-F159 HydrophobicContact CE1-CD2 3.59Å; Y117-F159 HydrophobicContact CE1-CE2 4.3Å; Y117-F159 AromaticContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CD2 3.96Å; Y117-F159 HydrophobicContact CE2-CE2 4.11Å; Y117-F159 AromaticContact CZ-CD2 3.46Å; Y117-F159 VanDerWaalsContact CZ-CD2 3.46Å; Y117-F159 PolarHBondContact OH-N 2.85Å; L141-F159 HydrophobicContact CG-CE1 4.16Å; L142-F159 HydrophobicContact CD2-CZ 4.07Å; F159-T164 WeakPolarHBondContact CB-OG1 3.33Å; F159-I180 HydrophobicContact CD2-CG2 4.4Å; F159-I180 HydrophobicContact CE2-CG2 4.07Å
160	E	85.4	Confident	87.2	Confident	187 Å²	187	61.8 Å²	61.8	87%	0.874	31%	0.313	S	S	*	.	S	Bend	trans	-74.1	-41.8	179.5	-69.8	157.4	-147	0	0	111.4
161	Q	85.5	Confident	87	Confident	127 Å²	127	72 Å²	72	59%	0.593	36%	0.357	S	S	*	.	S	Bend	trans	-83	142.2	178.6	-64.6	170.4	-11.7	0	0	111.4	I163	Q161-I163 VanDerWaalsContact C-N 3.31Å; Q161-I163 PolarHBondContact O-N 3.49Å
162	E	84.2	Confident	86.7	Confident	143 Å²	143	76 Å²	76	67%	0.668	38%	0.377	S	S	*	.	S	Bend	trans	-65.1	-35.5	174.4	-175.8	173.5	-153.3	0	0	112.1	K181 F182	E162-K181 CarbonylContact O-C 3.56Å; E162-K181 WeakPolarHBondContact O-CA 3.45Å; E162-F182 HydrophobicContact CG-CB 4.29Å; E162-F182 WeakPolarHBondContact O-CB 3.33Å; E162-F182 PolarHBondContact O-N 3.21Å
163	I	89.9	Confident	86.3	Confident	81 Å²	81	78.8 Å²	78.8	42%	0.415	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	111.4	171	-51.3	-173.1	0	0	0	108.1	Q161 V165 I180 K181	Q161-I163 VanDerWaalsContact C-N 3.31Å; Q161-I163 PolarHBondContact O-N 3.49Å; I163-V165 HydrophobicContact CG2-CG2 4.18Å; I163-I180 WeakPolarHBondContact CA-O 3.15Å; I163-K181 HydrophobicContact CD1-CD 4.44Å; I163-K181 HydrophobicContact CD1-CG 4.17Å; I163-K181 HydrophobicContact CG1-CG 4.07Å; I163-K181 HydrophobicContact CG2-CG 4.16Å
164	T	88.4	Confident	86	Confident	13 Å²	13	83.4 Å²	83.4	8%	0.08	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.6	171.9	-57.9	0	0	0	0	108.9	L141 F159 L166 I180	L141-T164 HydrophobicContact CD2-CG2 4.38Å; F159-T164 WeakPolarHBondContact CB-OG1 3.33Å; T164-L166 HydrophobicContact CG2-CD2 4.02Å; T164-I180 PolarHBondContact N-O 3.42Å; T164-I180 WeakPolarHBondContact O-CB 3.28Å; T164-I180 PolarHBondContact O-N 2.67Å
165	V	88.6	Confident	85.9	Confident	70 Å²	70	88.5 Å²	88.5	42%	0.424	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.3	-179.1	-179.4	0	0	0	0	110.2	I163 K177 I178	I163-V165 HydrophobicContact CG2-CG2 4.18Å; V165-K177 HydrophobicContact CG1-CD 3.96Å; V165-K177 HydrophobicContact CG1-CG 3.7Å; V165-I178 CarbonylContact C-O 3.55Å; V165-I178 WeakPolarHBondContact CA-O 3.32Å
166	L	88.3	Confident	85.9	Confident	16 Å²	16	89.3 Å²	89.3	8%	0.084	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.5	179.4	-50	177.8	0	0	0	110.7	H138 L141 T164 K177 I178 I180	H138-L166 HydrophobicContact CB-CD1 3.84Å; L141-L166 HydrophobicContact CD2-CD1 4.13Å; L141-L166 HydrophobicContact CD2-CD2 3.29Å; L141-L166 HydrophobicContact CD2-CG 4.34Å; T164-L166 HydrophobicContact CG2-CD2 4.02Å; L166-K177 CarbonylContact O-C 3.6Å; L166-K177 WeakPolarHBondContact O-CA 3.23Å; L166-I178 HydrophobicContact CB-CB 4.24Å; L166-I178 PolarHBondContact N-O 3.47Å; L166-I178 PolarHBondContact O-N 2.86Å; L166-I180 HydrophobicContact CD1-CD1 3.64Å; L166-I180 HydrophobicContact CG-CD1 4.32Å
167	S	88.8	Confident	86.1	Confident	88 Å²	88	91 Å²	91	62%	0.615	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	154.9	175.8	-58.7	0	0	0	0	111.6	H138 Y176	H138-S167 PolarHBondContact CE1-O 2.91Å; S167-Y176 CarbonylContact C-O 3.59Å; S167-Y176 WeakPolarHBondContact CA-O 3.41Å
168	G	86.2	Confident	86.4	Confident	24 Å²	24	86 Å²	86	25%	0.247	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	172.6	170.9	0	0	0	0	0	112.8	E175 Y176	G168-E175 WeakPolarHBondContact O-CA 3.42Å; G168-Y176 PolarHBondContact N-O 3Å; G168-Y176 WeakPolarHBondContact O-CD1 3.41Å; G168-Y176 WeakPolarHBondContact O-CE1 3.35Å; G168-Y176 PolarHBondContact O-N 2.77Å
169	K	83.3	Confident	86.6	Confident	101 Å²	101	80.7 Å²	80.7	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.8	175.2	-67.8	-162.7	169.6	-163.7	0	112.1	D173 E175 Y176	K169-D173 WeakPolarHBondContact CD-O 3.43Å; K169-D173 WeakPolarHBondContact CD-OD1 3.31Å; K169-D173 WeakPolarHBondContact CD-OD2 3.47Å; K169-D173 IonicContact NZ-OD1 3.97Å; K169-D173 IonicContact NZ-OD2 3.87Å; K169-D173 PolarHBondContact NZ-OD2 3.47Å; K169-E175 HydrophobicContact CD-CG 4.19Å; K169-E175 WeakPolarHBondContact CE-OE1 3.39Å; K169-E175 HydrophobicContact CG-CG 3.72Å; K169-E175 IonicContact NZ-OE1 2.69Å; K169-Y176 VanDerWaalsContact C-CE1 3.45Å; K169-Y176 WeakPolarHBondContact O-CE1 3.39Å
170	S	79.5	Confident	86.9	Confident	36 Å²	36	80.1 Å²	80.1	25%	0.252	41%	0.406	S	S	.	.			trans	-79.7	174.9	174.9	76.9	0	0	0	0	111.7	L172 D173 I174	S170-L172 PolarHBondContact O-N 2.8Å; S170-L172 VanDerWaalsContact O-N 3.09Å; S170-L172 PolarHBondContact OG-N 3.17Å; S170-L172 VanDerWaalsContact OG-N 3.15Å; S170-D173 PolarHBondContact O-N 3.09Å; S170-I174 WeakPolarHBondContact CB-O 3.49Å; S170-I174 PolarHBondContact N-O 2.87Å; S170-I174 WeakPolarHBondContact OG-CB 3.45Å; S170-I174 PolarHBondContact OG-N 2.95Å; S170-I174 PolarHBondContact OG-O 3.38Å
171	K	77.7	Confident	87.3	Confident	218 Å²	218	74.5 Å²	74.5	95%	0.948	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-3.9	171.3	-68.5	-167.9	175.2	-166.6	0	114.5
172	L	80	Confident	87.7	Confident	144 Å²	144	71.2 Å²	71.2	75%	0.754	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	21.8	175.2	-59.5	174.3	0	0	0	110.8	S170 I174	S170-L172 PolarHBondContact O-N 2.8Å; S170-L172 VanDerWaalsContact O-N 3.09Å; S170-L172 PolarHBondContact OG-N 3.17Å; S170-L172 VanDerWaalsContact OG-N 3.15Å; L172-I174 HydrophobicContact CB-CD1 4.25Å; L172-I174 HydrophobicContact CB-CG1 4.23Å; L172-I174 PolarHBondContact O-N 3.07Å
173	D	81.3	Confident	88.1	Confident	101 Å²	101	68 Å²	68	54%	0.54	35%	0.353	S	S	.	.	S	Bend	trans	56.9	-6.5	-173.8	-143.3	60.4	0	0	0	117.1	K169 S170 E175	K169-D173 WeakPolarHBondContact CD-O 3.43Å; K169-D173 WeakPolarHBondContact CD-OD1 3.31Å; K169-D173 WeakPolarHBondContact CD-OD2 3.47Å; K169-D173 IonicContact NZ-OD1 3.97Å; K169-D173 IonicContact NZ-OD2 3.87Å; K169-D173 PolarHBondContact NZ-OD2 3.47Å; S170-D173 PolarHBondContact O-N 3.09Å; D173-E175 PolarHBondContact O-N 2.82Å; D173-E175 VanDerWaalsContact O-N 3.14Å
174	I	85.4	Confident	88.1	Confident	97 Å²	97	65 Å²	65	50%	0.497	34%	0.341	S	S	.	.			trans	-52.2	120.4	172.3	-52.2	171.8	0	0	0	109.5	P123 S170 L172	P123-I174 HydrophobicContact CG-CG2 4.38Å; S170-I174 WeakPolarHBondContact CB-O 3.49Å; S170-I174 PolarHBondContact N-O 2.87Å; S170-I174 WeakPolarHBondContact OG-CB 3.45Å; S170-I174 PolarHBondContact OG-N 2.95Å; S170-I174 PolarHBondContact OG-O 3.38Å; L172-I174 HydrophobicContact CB-CD1 4.25Å; L172-I174 HydrophobicContact CB-CG1 4.23Å; L172-I174 PolarHBondContact O-N 3.07Å
175	E	89	Confident	88.2	Confident	136 Å²	136	68.2 Å²	68.2	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	138.5	171.7	-76.2	176.8	-166.6	0	0	110.8	P123 G168 K169 D173	P123-E175 WeakPolarHBondContact CD-O 3.22Å; G168-E175 WeakPolarHBondContact O-CA 3.42Å; K169-E175 HydrophobicContact CD-CG 4.19Å; K169-E175 WeakPolarHBondContact CE-OE1 3.39Å; K169-E175 HydrophobicContact CG-CG 3.72Å; K169-E175 IonicContact NZ-OE1 2.69Å; D173-E175 PolarHBondContact O-N 2.82Å; D173-E175 VanDerWaalsContact O-N 3.14Å
176	Y	90.4	Very high	88.2	Confident	17 Å²	17	65.1 Å²	65.1	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	151.3	172.7	63.8	-98.3	0	0	0	110.5	E122 V134 N137 H138 S167 G168 K169 I178	E122-Y176 CarbonylContact O-C 3.58Å; E122-Y176 VanDerWaalsContact O-CA 3.24Å; E122-Y176 WeakPolarHBondContact O-CA 3.35Å; V134-Y176 HydrophobicContact CG1-CD1 4.02Å; V134-Y176 HydrophobicContact CG1-CD2 3.53Å; V134-Y176 HydrophobicContact CG1-CE1 3.95Å; V134-Y176 HydrophobicContact CG1-CE2 3.5Å; V134-Y176 VanDerWaalsContact CG1-CE2 3.5Å; V134-Y176 HydrophobicContact CG1-CG 3.83Å; N137-Y176 PolarHBondContact ND2-OH 3.19Å; H138-Y176 AromaticContact NE2-CE2 3.58Å; H138-Y176 AromaticContact NE2-CZ 3.81Å; H138-Y176 PolarHBondContact NE2-OH 2.82Å; H138-Y176 VanDerWaalsContact NE2-OH 3.13Å; S167-Y176 CarbonylContact C-O 3.59Å; S167-Y176 WeakPolarHBondContact CA-O 3.41Å; G168-Y176 PolarHBondContact N-O 3Å; G168-Y176 WeakPolarHBondContact O-CD1 3.41Å; G168-Y176 WeakPolarHBondContact O-CE1 3.35Å; G168-Y176 PolarHBondContact O-N 2.77Å; K169-Y176 VanDerWaalsContact C-CE1 3.45Å; K169-Y176 WeakPolarHBondContact O-CE1 3.39Å; Y176-I178 HydrophobicContact CD2-CD1 4.16Å; Y176-I178 HydrophobicContact CD2-CG1 3.77Å; Y176-I178 HydrophobicContact CE2-CD1 3.88Å; Y176-I178 HydrophobicContact CE2-CG1 3.97Å
177	K	92.1	Very high	87.9	Confident	74 Å²	74	67.4 Å²	67.4	32%	0.322	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.7	174.4	170.6	171.1	158	-112.4	0	108.3	E122 V165 L166	E122-K177 HydrophobicContact CB-CB 4.32Å; E122-K177 VanDerWaalsContact CD-NZ 3.27Å; E122-K177 PolarHBondContact N-O 3.22Å; E122-K177 PolarHBondContact O-N 2.69Å; E122-K177 IonicContact OE1-NZ 3.11Å; E122-K177 PolarHBondContact OE1-NZ 2.77Å; E122-K177 VanDerWaalsContact OE1-NZ 3.11Å; E122-K177 WeakPolarHBondContact OE2-CD 3.32Å; E122-K177 IonicContact OE2-NZ 2.64Å; E122-K177 PolarHBondContact OE2-NZ 2.79Å; V165-K177 HydrophobicContact CG1-CD 3.96Å; V165-K177 HydrophobicContact CG1-CG 3.7Å; L166-K177 CarbonylContact O-C 3.6Å; L166-K177 WeakPolarHBondContact O-CA 3.23Å
178	I	93.4	Very high	87.2	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.4	-179.6	-45.2	179.5	0	0	0	107.8	V119 E120 F121 V134 L135 V165 L166 Y176 I180	V119-I178 HydrophobicContact CG1-CG2 3.37Å; E120-I178 WeakPolarHBondContact O-CA 3.47Å; F121-I178 HydrophobicContact CD1-CG1 4.05Å; F121-I178 HydrophobicContact CD1-CG2 4.31Å; F121-I178 HydrophobicContact CE1-CD1 4.08Å; F121-I178 HydrophobicContact CE1-CG1 4.07Å; F121-I178 HydrophobicContact CE1-CG2 4.03Å; F121-I178 HydrophobicContact CZ-CG2 4.3Å; V134-I178 HydrophobicContact CG1-CD1 3.98Å; V134-I178 HydrophobicContact CG1-CG1 4.42Å; L135-I178 HydrophobicContact CD1-CD1 3.97Å; L135-I178 HydrophobicContact CD1-CG2 4.13Å; V165-I178 CarbonylContact C-O 3.55Å; V165-I178 WeakPolarHBondContact CA-O 3.32Å; L166-I178 HydrophobicContact CB-CB 4.24Å; L166-I178 PolarHBondContact N-O 3.47Å; L166-I178 PolarHBondContact O-N 2.86Å; Y176-I178 HydrophobicContact CD2-CD1 4.16Å; Y176-I178 HydrophobicContact CD2-CG1 3.77Å; Y176-I178 HydrophobicContact CE2-CD1 3.88Å; Y176-I178 HydrophobicContact CE2-CG1 3.97Å; I178-I180 HydrophobicContact CG2-CG1 4.03Å
179	S	92.9	Very high	86.4	Confident	10 Å²	10	67.8 Å²	67.8	7%	0.07	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106.6	176.3	-66.3	0	0	0	0	109.4	V119 E120	V119-S179 WeakPolarHBondContact CA-O 3.37Å; E120-S179 PolarHBondContact N-O 2.92Å; E120-S179 PolarHBondContact O-N 3.49Å
180	I	94	Very high	86.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	101.5	-179.9	-56.3	177.7	0	0	0	108.7	Y117 H118 V119 L135 L142 L153 F159 I163 T164 L166 I178	Y117-I180 HydrophobicContact CD1-CG2 3.66Å; Y117-I180 HydrophobicContact CE1-CG2 4.5Å; Y117-I180 HydrophobicContact CG-CG2 3.86Å; H118-I180 CarbonylContact O-C 3.57Å; H118-I180 WeakPolarHBondContact O-CA 3.37Å; V119-I180 HydrophobicContact CG1-CG1 4.24Å; V119-I180 HydrophobicContact CG2-CG1 4.39Å; L135-I180 HydrophobicContact CD1-CD1 4.09Å; L142-I180 HydrophobicContact CD2-CD1 3.92Å; L153-I180 HydrophobicContact CD2-CD1 4.39Å; L153-I180 HydrophobicContact CD2-CG2 3.94Å; F159-I180 HydrophobicContact CD2-CG2 4.4Å; F159-I180 HydrophobicContact CE2-CG2 4.07Å; I163-I180 WeakPolarHBondContact CA-O 3.15Å; T164-I180 PolarHBondContact N-O 3.42Å; T164-I180 WeakPolarHBondContact O-CB 3.28Å; T164-I180 PolarHBondContact O-N 2.67Å; L166-I180 HydrophobicContact CD1-CD1 3.64Å; L166-I180 HydrophobicContact CG-CD1 4.32Å; I178-I180 HydrophobicContact CG2-CG1 4.03Å
181	K	93.9	Very high	86.1	Confident	68 Å²	68	66.3 Å²	66.3	30%	0.296	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	130.9	-177.4	-55.6	179.6	-177.1	167.2	0	110.7	Y117 H118 E120 E162 I163	Y117-K181 CarbonylContact C-O 3.4Å; Y117-K181 VanDerWaalsContact CA-O 3.25Å; Y117-K181 WeakPolarHBondContact CA-O 3.43Å; Y117-K181 WeakPolarHBondContact CD1-O 3.49Å; H118-K181 HydrophobicContact CB-CB 4.46Å; H118-K181 PolarHBondContact N-O 2.77Å; H118-K181 PolarHBondContact O-N 3.17Å; E120-K181 WeakPolarHBondContact OE1-CE 3.36Å; E120-K181 IonicContact OE1-NZ 2.68Å; E120-K181 PolarHBondContact OE1-NZ 3.32Å; E120-K181 VanDerWaalsContact OE2-CE 3.3Å; E120-K181 WeakPolarHBondContact OE2-CE 3.35Å; E120-K181 IonicContact OE2-NZ 2.67Å; E120-K181 PolarHBondContact OE2-NZ 2.99Å; E162-K181 CarbonylContact O-C 3.56Å; E162-K181 WeakPolarHBondContact O-CA 3.45Å; I163-K181 HydrophobicContact CD1-CD 4.44Å; I163-K181 HydrophobicContact CD1-CG 4.17Å; I163-K181 HydrophobicContact CG1-CG 4.07Å; I163-K181 HydrophobicContact CG2-CG 4.16Å
182	F	93.9	Very high	86.4	Confident	59 Å²	59	61.5 Å²	61.5	26%	0.259	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.5	174.6	178.4	-101.8	0	0	0	110.7	V115 Y117 K158 E162 F185	V115-F182 HydrophobicContact CG1-CD2 3.95Å; V115-F182 HydrophobicContact CG1-CE2 3.61Å; Y117-F182 VanDerWaalsContact CD1-CA 3.49Å; Y117-F182 HydrophobicContact CD1-CB 4.15Å; Y117-F182 HydrophobicContact CE1-CB 3.76Å; Y117-F182 AromaticContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CD2 3.78Å; Y117-F182 HydrophobicContact CE1-CG 4.27Å; Y117-F182 AromaticContact CZ-CD2 3.87Å; K158-F182 HydrophobicContact CG-CE2 4.45Å; E162-F182 HydrophobicContact CG-CB 4.29Å; E162-F182 WeakPolarHBondContact O-CB 3.33Å; E162-F182 PolarHBondContact O-N 3.21Å; F182-F185 HydrophobicContact CZ-CD2 4.42Å; F182-F185 HydrophobicContact CZ-CE2 4.22Å
183	V	92.3	Very high	86.7	Confident	76 Å²	76	55 Å²	55	46%	0.461	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-35.9	176.5	-176.4	0	0	0	0	111.1	H116 H118	H116-V183 HydrophobicContact CB-CB 4.49Å; H116-V183 WeakPolarHBondContact O-CB 3.21Å; H116-V183 PolarHBondContact O-N 3.44Å; H118-V183 HydrophobicContact CB-CG2 3.91Å
184	G	91.5	Very high	86.9	Confident	17 Å²	17	51.1 Å²	51.1	18%	0.175	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157	-166.4	176.9	0	0	0	0	0	114.4	H116	H116-G184 PolarHBondContact N-O 3.42Å; H116-G184 PolarHBondContact O-N 3.47Å
185	F	90.6	Very high	86.8	Confident	80 Å²	80	49.2 Å²	49.2	35%	0.351	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	141	166.7	-60.9	-81.5	0	0	0	109.4	R113 I114 V115 K158 F182	R113-F185 HydrophobicContact CB-CD1 4Å; R113-F185 HydrophobicContact CB-CE1 4.42Å; R113-F185 VanDerWaalsContact NH2-CD2 3.27Å; I114-F185 WeakPolarHBondContact O-CA 3.5Å; V115-F185 HydrophobicContact CG2-CD1 4.13Å; V115-F185 HydrophobicContact CG2-CE1 4.06Å; K158-F185 HydrophobicContact CD-CZ 4.28Å; F182-F185 HydrophobicContact CZ-CD2 4.42Å; F182-F185 HydrophobicContact CZ-CE2 4.22Å
186	I	88.2	Confident	86.8	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.5	172.8	-47.8	-175	0	0	0	109.2	I114 H116 F154 E190 R192 F193 V196	I114-I186 HydrophobicContact CB-CB 4.38Å; I114-I186 HydrophobicContact CB-CD1 4.35Å; I114-I186 HydrophobicContact CB-CG1 4.4Å; I114-I186 HydrophobicContact CG2-CD1 3.67Å; I114-I186 HydrophobicContact CG2-CG1 4.08Å; I114-I186 PolarHBondContact O-N 3.18Å; H116-I186 HydrophobicContact CB-CD1 4.42Å; H116-I186 HydrophobicContact CB-CG1 4.08Å; F154-I186 HydrophobicContact CD1-CD1 3.67Å; F154-I186 HydrophobicContact CE1-CD1 3.73Å; I186-E190 WeakPolarHBondContact CA-OE1 3.18Å; I186-E190 HydrophobicContact CG2-CB 3.88Å; I186-E190 HydrophobicContact CG2-CG 4.44Å; I186-R192 HydrophobicContact CD1-CB 4.22Å; I186-R192 HydrophobicContact CG2-CB 3.92Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.43Å; I186-V196 HydrophobicContact CD1-CG2 4.14Å
187	S	81.7	Confident	86.8	Confident	64 Å²	64	42 Å²	42	45%	0.448	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-70.7	146.5	173	178.3	0	0	0	0	111.6	A189 E190 F193	S187-A189 PolarHBondContact O-N 2.77Å; S187-A189 VanDerWaalsContact O-N 3.1Å; S187-A189 PolarHBondContact OG-N 3.19Å; S187-E190 PolarHBondContact N-OE1 3.19Å; S187-E190 WeakPolarHBondContact O-CB 3.24Å; S187-E190 PolarHBondContact O-N 2.87Å; S187-F193 WeakPolarHBondContact O-CB 3.33Å
188	C	73.8	Confident	86.6	Confident	69 Å²	69	39.6 Å²	39.6	47%	0.466	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.2	176	-65	0	0	0	0	113.3	F193 Q243	C188-F193 HydrophobicContact CB-CD1 4.47Å; C188-F193 HydrophobicContact CB-CE1 4.2Å; C188-F193 HydrophobicContact CB-CE2 4.5Å; C188-F193 HydrophobicContact CB-CZ 4.21Å; C188-F193 WeakPolarHBondContact SG-CZ 3.42Å; C188-Q243 HydrophobicContact CB-CG 4.47Å
189	A	70.2	Confident	86.3	Confident	52 Å²	52	43.3 Å²	43.3	43%	0.43	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-8.3	175.3	0	0	0	0	0	113.9	Y78 S187	Y78-A189 HydrophobicContact CE1-CB 4.47Å; Y78-A189 WeakPolarHBondContact CE1-O 3.44Å; S187-A189 PolarHBondContact O-N 2.77Å; S187-A189 VanDerWaalsContact O-N 3.1Å; S187-A189 PolarHBondContact OG-N 3.19Å
190	E	78.4	Confident	86.1	Confident	58 Å²	58	42.9 Å²	42.9	27%	0.271	23%	0.232	S	C	.	.	S	Bend	trans	-80.3	139.1	-179.3	-79.4	177	-109.1	0	0	112.9	I186 S187 R192 F193	I186-E190 WeakPolarHBondContact CA-OE1 3.18Å; I186-E190 HydrophobicContact CG2-CB 3.88Å; I186-E190 HydrophobicContact CG2-CG 4.44Å; S187-E190 PolarHBondContact N-OE1 3.19Å; S187-E190 WeakPolarHBondContact O-CB 3.24Å; S187-E190 PolarHBondContact O-N 2.87Å; E190-R192 HydrophobicContact CB-CB 4.4Å; E190-R192 PolarHBondContact O-N 2.91Å; E190-R192 WeakPolarHBondContact OE2-CD 3.34Å; E190-F193 VanDerWaalsContact O-CB 3.3Å; E190-F193 WeakPolarHBondContact O-CB 3.43Å; E190-F193 PolarHBondContact O-N 2.95Å
191	P	77.8	Confident	85.9	Confident	47 Å²	47	43.1 Å²	43.1	31%	0.305	23%	0.234	S	C	.	.	H	α-helix	trans	-49.9	-30.7	166.6	-31.7	38.3	0	0	0	114.5	Y76 L194 Q195	Y76-P191 WeakPolarHBondContact O-CG 3.4Å; P191-L194 PolarHBondContact O-N 2.92Å; P191-Q195 WeakPolarHBondContact O-CG 3.32Å; P191-Q195 PolarHBondContact O-N 2.83Å; P191-Q195 VanDerWaalsContact O-N 3.08Å
192	R	83.8	Confident	85.5	Confident	118 Å²	118	45.6 Å²	45.6	45%	0.445	24%	0.241	S	C	.	.	H	α-helix	trans	-65.5	-36.8	178.1	-60.4	-177.7	-173.6	173.2	4.7	112.4	I186 E190 L194 Q195 V196	I186-R192 HydrophobicContact CD1-CB 4.22Å; I186-R192 HydrophobicContact CG2-CB 3.92Å; E190-R192 HydrophobicContact CB-CB 4.4Å; E190-R192 PolarHBondContact O-N 2.91Å; E190-R192 WeakPolarHBondContact OE2-CD 3.34Å; R192-L194 VanDerWaalsContact C-N 3.34Å; R192-L194 PolarHBondContact O-N 2.92Å; R192-Q195 WeakPolarHBondContact O-CB 3.47Å; R192-Q195 PolarHBondContact O-N 3.43Å; R192-V196 WeakPolarHBondContact O-CG2 3.37Å; R192-V196 PolarHBondContact O-N 3.32Å
193	F	87	Confident	85.2	Confident	6 Å²	6	47.4 Å²	47.4	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-47.5	177.7	-172.8	-99.6	0	0	0	110.4	W112 I114 I186 S187 C188 E190 Q195 V196 L197 Q243 I248	W112-F193 AromaticContact CZ3-CE2 3.78Å; W112-F193 HydrophobicContact CZ3-CE2 3.78Å; W112-F193 AromaticContact CZ3-CZ 3.8Å; W112-F193 HydrophobicContact CZ3-CZ 3.8Å; I114-F193 HydrophobicContact CD1-CD2 3.78Å; I114-F193 HydrophobicContact CD1-CE2 3.92Å; I186-F193 HydrophobicContact CG2-CB 3.81Å; I186-F193 HydrophobicContact CG2-CD2 4.43Å; S187-F193 WeakPolarHBondContact O-CB 3.33Å; C188-F193 HydrophobicContact CB-CD1 4.47Å; C188-F193 HydrophobicContact CB-CE1 4.2Å; C188-F193 HydrophobicContact CB-CE2 4.5Å; C188-F193 HydrophobicContact CB-CZ 4.21Å; C188-F193 WeakPolarHBondContact SG-CZ 3.42Å; E190-F193 VanDerWaalsContact O-CB 3.3Å; E190-F193 WeakPolarHBondContact O-CB 3.43Å; E190-F193 PolarHBondContact O-N 2.95Å; F193-Q195 PolarHBondContact O-N 3.05Å; F193-V196 PolarHBondContact O-N 3.03Å; F193-L197 HydrophobicContact CD1-CD1 3.77Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.52Å; F193-L197 HydrophobicContact CE1-CG 4.36Å; F193-L197 HydrophobicContact CZ-CD1 4.27Å; F193-L197 WeakPolarHBondContact O-CG 3.45Å; F193-L197 PolarHBondContact O-N 3.47Å; F193-Q243 HydrophobicContact CE1-CB 4.23Å; F193-I248 HydrophobicContact CE1-CD1 4.47Å; F193-I248 HydrophobicContact CZ-CD1 4.13Å
194	L	83.9	Confident	85.1	Confident	21 Å²	21	43.8 Å²	43.8	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-37.5	175.9	-178	60.1	0	0	0	112.6	Y76 P191 R192 N198 I241 R242	Y76-L194 HydrophobicContact CD1-CD2 3.51Å; Y76-L194 HydrophobicContact CD1-CG 4.34Å; Y76-L194 HydrophobicContact CE1-CD2 3.71Å; Y76-L194 HydrophobicContact CE1-CG 4.2Å; Y76-L194 HydrophobicContact CG-CD2 3.97Å; P191-L194 PolarHBondContact O-N 2.92Å; R192-L194 VanDerWaalsContact C-N 3.34Å; R192-L194 PolarHBondContact O-N 2.92Å; L194-N198 VanDerWaalsContact CD1-ND2 3.3Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.27Å; L194-N198 WeakPolarHBondContact O-CB 3.41Å; L194-N198 PolarHBondContact O-N 2.91Å; L194-N198 PolarHBondContact O-ND2 3.46Å; L194-I241 WeakPolarHBondContact CD1-O 3.39Å; L194-R242 HydrophobicContact CD1-CB 4.46Å; L194-R242 HydrophobicContact CD1-CG 3.82Å
195	Q	84.3	Confident	85	Confident	57 Å²	57	43.2 Å²	43.2	27%	0.266	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-48.2	173.8	-74.9	167.9	-12.7	0	0	111.6	D74 Y76 P191 R192 F193 N198 L199	D74-Q195 PolarHBondContact O-NE2 3Å; Y76-Q195 HydrophobicContact CD2-CG 3.67Å; Y76-Q195 HydrophobicContact CE2-CG 3.56Å; P191-Q195 WeakPolarHBondContact O-CG 3.32Å; P191-Q195 PolarHBondContact O-N 2.83Å; P191-Q195 VanDerWaalsContact O-N 3.08Å; R192-Q195 WeakPolarHBondContact O-CB 3.47Å; R192-Q195 PolarHBondContact O-N 3.43Å; F193-Q195 PolarHBondContact O-N 3.05Å; Q195-N198 PolarHBondContact O-N 2.98Å; Q195-L199 WeakPolarHBondContact O-CG 3.5Å; Q195-L199 PolarHBondContact O-N 2.68Å
196	V	89.3	Confident	84.8	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-48.2	177.6	172	0	0	0	0	111.2	I114 L147 F154 I186 R192 F193 N198 L199 I200 W422	I114-V196 HydrophobicContact CD1-CB 4.06Å; I114-V196 HydrophobicContact CD1-CG1 3.63Å; I114-V196 HydrophobicContact CG1-CG1 4.42Å; I114-V196 HydrophobicContact CG2-CG1 4.33Å; L147-V196 HydrophobicContact CD1-CG1 4.13Å; F154-V196 HydrophobicContact CB-CG2 4.24Å; F154-V196 HydrophobicContact CD1-CG2 4.1Å; F154-V196 HydrophobicContact CD2-CG2 3.91Å; F154-V196 HydrophobicContact CE1-CG2 4.43Å; F154-V196 HydrophobicContact CE2-CG2 4.27Å; F154-V196 HydrophobicContact CG-CG2 3.8Å; I186-V196 HydrophobicContact CD1-CG2 4.14Å; R192-V196 WeakPolarHBondContact O-CG2 3.37Å; R192-V196 PolarHBondContact O-N 3.32Å; F193-V196 PolarHBondContact O-N 3.03Å; V196-N198 VanDerWaalsContact C-N 3.31Å; V196-N198 PolarHBondContact O-N 3.46Å; V196-L199 WeakPolarHBondContact O-CB 3.38Å; V196-L199 PolarHBondContact O-N 3.19Å; V196-I200 HydrophobicContact CG1-CD1 3.86Å; V196-I200 HydrophobicContact CG1-CG1 4.37Å; V196-I200 WeakPolarHBondContact O-CG1 3.45Å; V196-I200 PolarHBondContact O-N 3.08Å; V196-W422 HydrophobicContact CG1-CH2 4.02Å; V196-W422 HydrophobicContact CG1-CZ3 4.11Å
197	L	89.9	Confident	84.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.8	-42.3	176	-72.9	179.4	0	0	0	112.6	W112 F193 L199 I200 L201 I241 I248 M424	W112-L197 HydrophobicContact CH2-CD2 3.89Å; F193-L197 HydrophobicContact CD1-CD1 3.77Å; F193-L197 HydrophobicContact CD1-CG 4.43Å; F193-L197 HydrophobicContact CE1-CD1 3.52Å; F193-L197 HydrophobicContact CE1-CG 4.36Å; F193-L197 HydrophobicContact CZ-CD1 4.27Å; F193-L197 WeakPolarHBondContact O-CG 3.45Å; F193-L197 PolarHBondContact O-N 3.47Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.45Å; L197-I200 HydrophobicContact CD2-CD1 4.47Å; L197-I200 PolarHBondContact O-N 3.32Å; L197-L201 WeakPolarHBondContact O-CB 3.45Å; L197-L201 PolarHBondContact O-N 2.72Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CB-CG1 4.16Å; L197-I241 HydrophobicContact CB-CG2 3.99Å; L197-I241 HydrophobicContact CD1-CG1 4.37Å; L197-I241 HydrophobicContact CD2-CD1 4.05Å; L197-I241 HydrophobicContact CG-CD1 4.45Å; L197-I248 HydrophobicContact CD1-CD1 4.32Å; L197-I248 HydrophobicContact CD1-CG1 4.45Å; L197-I248 HydrophobicContact CD1-CG2 4.04Å; L197-I248 HydrophobicContact CD2-CD1 4.18Å; L197-I248 HydrophobicContact CD2-CG2 4.4Å; L197-M424 HydrophobicContact CD2-CE 3.84Å; L197-M424 HydrophobicContact CD2-SD 4.45Å
198	N	87.8	Confident	85.1	Confident	23 Å²	23	45.3 Å²	45.3	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-68.3	-30	176.7	-83.5	-89.6	0	0	0	112.8	L194 Q195 V196 R202	L194-N198 VanDerWaalsContact CD1-ND2 3.3Å; L194-N198 WeakPolarHBondContact CD1-ND2 3.27Å; L194-N198 WeakPolarHBondContact O-CB 3.41Å; L194-N198 PolarHBondContact O-N 2.91Å; L194-N198 PolarHBondContact O-ND2 3.46Å; Q195-N198 PolarHBondContact O-N 2.98Å; V196-N198 VanDerWaalsContact C-N 3.31Å; V196-N198 PolarHBondContact O-N 3.46Å; N198-R202 VanDerWaalsContact O-CB 3.27Å; N198-R202 WeakPolarHBondContact O-CB 3.4Å; N198-R202 WeakPolarHBondContact O-CG 3.42Å; N198-R202 PolarHBondContact O-N 3.17Å
199	L	86.5	Confident	85.8	Confident	77 Å²	77	46.8 Å²	46.8	40%	0.403	23%	0.228	S	C	.	.	H	α-helix	trans	-72.4	-41	173.4	-71.8	171	0	0	0	112.2	L147 Q195 V196 L197 R202 R203	L147-L199 HydrophobicContact CD1-CB 3.55Å; L147-L199 HydrophobicContact CD1-CD1 4.36Å; L147-L199 HydrophobicContact CD2-CB 4.08Å; L147-L199 HydrophobicContact CG-CB 4.49Å; Q195-L199 WeakPolarHBondContact O-CG 3.5Å; Q195-L199 PolarHBondContact O-N 2.68Å; V196-L199 WeakPolarHBondContact O-CB 3.38Å; V196-L199 PolarHBondContact O-N 3.19Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.45Å; L199-R202 PolarHBondContact O-N 3.41Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 2.66Å
200	I	89.7	Confident	86.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-50.4	172.9	-62.6	164.2	0	0	0	109.6	L147 V196 L197 R202 R203 S204 V418 L419 W422 M424	L147-I200 HydrophobicContact CD1-CG1 3.89Å; V196-I200 HydrophobicContact CG1-CD1 3.86Å; V196-I200 HydrophobicContact CG1-CG1 4.37Å; V196-I200 WeakPolarHBondContact O-CG1 3.45Å; V196-I200 PolarHBondContact O-N 3.08Å; L197-I200 HydrophobicContact CD2-CD1 4.47Å; L197-I200 PolarHBondContact O-N 3.32Å; I200-R202 PolarHBondContact O-N 2.84Å; I200-R203 PolarHBondContact O-N 2.75Å; I200-R203 VanDerWaalsContact O-N 3.1Å; I200-S204 PolarHBondContact O-N 2.83Å; I200-V418 HydrophobicContact CG2-CG1 4.46Å; I200-L419 HydrophobicContact CG2-CD2 4.27Å; I200-W422 HydrophobicContact CD1-CB 4.47Å; I200-W422 HydrophobicContact CD1-CD2 3.43Å; I200-W422 VanDerWaalsContact CD1-CD2 3.43Å; I200-W422 HydrophobicContact CD1-CE3 3.42Å; I200-W422 VanDerWaalsContact CD1-CE3 3.42Å; I200-W422 HydrophobicContact CD1-CG 3.91Å; I200-W422 HydrophobicContact CD1-CH2 4.26Å; I200-W422 HydrophobicContact CD1-CZ2 4.27Å; I200-W422 HydrophobicContact CD1-CZ3 3.86Å; I200-W422 HydrophobicContact CG1-CD2 3.76Å; I200-W422 HydrophobicContact CG1-CE3 4.21Å; I200-W422 HydrophobicContact CG1-CG 4.07Å; I200-W422 HydrophobicContact CG1-CZ2 4.13Å; I200-W422 HydrophobicContact CG2-CB 4.48Å; I200-W422 HydrophobicContact CG2-CG 4.2Å; I200-M424 HydrophobicContact CD1-SD 4.4Å; I200-M424 HydrophobicContact CG2-SD 4.36Å
201	L	88.9	Confident	87	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-59.3	-49.2	178.1	-171	75.2	0	0	0	111.5	L197 R203 S204 M205 I241 L250	L197-L201 WeakPolarHBondContact O-CB 3.45Å; L197-L201 PolarHBondContact O-N 2.72Å; L201-R203 PolarHBondContact O-N 2.65Å; L201-S204 PolarHBondContact O-N 2.88Å; L201-M205 HydrophobicContact CD1-CE 3.58Å; L201-M205 HydrophobicContact CD1-CG 4.46Å; L201-M205 HydrophobicContact CG-CE 4.11Å; L201-M205 HydrophobicContact CG-CG 4.18Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 WeakPolarHBondContact O-CG 3.42Å; L201-M205 PolarHBondContact O-N 2.89Å; L201-I241 HydrophobicContact CB-CG2 3.95Å; L201-I241 HydrophobicContact CD2-CB 4.04Å; L201-I241 HydrophobicContact CD2-CG2 3.81Å; L201-I241 HydrophobicContact CG-CG2 4.42Å; L201-L250 HydrophobicContact CD1-CD1 3.69Å; L201-L250 HydrophobicContact CD1-CD2 3.78Å; L201-L250 HydrophobicContact CD1-CG 4.34Å; L201-L250 HydrophobicContact CD2-CD1 3.71Å; L201-L250 HydrophobicContact CG-CD1 4.37Å
202	R	85.7	Confident	87.1	Confident	120 Å²	120	47.8 Å²	47.8	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-29	176.4	-75.5	172.5	-175.1	179.5	6.3	112.7	D74 N198 L199 I200 K206	D74-R202 IonicContact OD2-NH2 3.11Å; N198-R202 VanDerWaalsContact O-CB 3.27Å; N198-R202 WeakPolarHBondContact O-CB 3.4Å; N198-R202 WeakPolarHBondContact O-CG 3.42Å; N198-R202 PolarHBondContact O-N 3.17Å; L199-R202 PolarHBondContact O-N 3.41Å; I200-R202 PolarHBondContact O-N 2.84Å; R202-K206 WeakPolarHBondContact O-CG 3.23Å
203	R	87.2	Confident	86.7	Confident	96 Å²	96	42.5 Å²	42.5	36%	0.362	20%	0.204	S	C	.	.	H	α-helix	trans	-75.7	-42.2	174.8	-173.9	-179.2	173.8	170	-5.7	111.4	Y146 L199 I200 L201 K206 V418	Y146-R203 PolarHBondContact O-NH1 2.72Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 2.66Å; I200-R203 PolarHBondContact O-N 2.75Å; I200-R203 VanDerWaalsContact O-N 3.1Å; L201-R203 PolarHBondContact O-N 2.65Å; R203-K206 PolarHBondContact O-N 3.46Å; R203-V418 HydrophobicContact CB-CG1 3.91Å; R203-V418 HydrophobicContact CG-CG1 3.81Å; R203-V418 HydrophobicContact CG-CG2 3.92Å
204	S	90.4	Very high	86.1	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-46.2	176.2	177.7	0	0	0	0	111.5	I200 L201 K206 G207 S415	I200-S204 PolarHBondContact O-N 2.83Å; L201-S204 PolarHBondContact O-N 2.88Å; S204-K206 PolarHBondContact O-N 2.76Å; S204-K206 VanDerWaalsContact O-N 3.08Å; S204-G207 PolarHBondContact O-N 3.17Å; S204-S415 WeakPolarHBondContact O-CA 3.42Å; S204-S415 VanDerWaalsContact O-CB 3.31Å; S204-S415 WeakPolarHBondContact O-CB 3.4Å; S204-S415 PolarHBondContact O-OG 3.23Å; S204-S415 PolarHBondContact OG-O 3.39Å
205	M	89.3	Confident	85.6	Confident	5 Å²	5	53 Å²	53	3%	0.025	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19	-179.4	-68.8	-69.2	168.8	0	0	114.4	L201 G207 L208 L217 T239 L250 F405 L409	L201-M205 HydrophobicContact CD1-CE 3.58Å; L201-M205 HydrophobicContact CD1-CG 4.46Å; L201-M205 HydrophobicContact CG-CE 4.11Å; L201-M205 HydrophobicContact CG-CG 4.18Å; L201-M205 WeakPolarHBondContact O-CB 3.43Å; L201-M205 WeakPolarHBondContact O-CG 3.42Å; L201-M205 PolarHBondContact O-N 2.89Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 3.37Å; M205-L208 WeakPolarHBondContact O-CB 3.43Å; M205-L208 PolarHBondContact O-N 3.16Å; M205-L208 HydrophobicContact SD-CD1 3.81Å; M205-L217 HydrophobicContact CB-CD1 3.65Å; M205-L217 HydrophobicContact CG-CD1 3.69Å; M205-L217 HydrophobicContact SD-CD1 3.83Å; M205-T239 HydrophobicContact CE-CG2 4.17Å; M205-L250 HydrophobicContact CE-CD2 4.08Å; M205-F405 HydrophobicContact CE-CE1 4.31Å; M205-F405 HydrophobicContact CE-CZ 3.77Å; M205-F405 HydrophobicContact SD-CE2 4.46Å; M205-F405 HydrophobicContact SD-CZ 3.86Å; M205-L409 HydrophobicContact CE-CD1 4.36Å; M205-L409 HydrophobicContact CE-CD2 3.68Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; M205-L409 HydrophobicContact SD-CD2 4.41Å
206	K	87.1	Confident	85.7	Confident	164 Å²	164	51.3 Å²	51.3	71%	0.713	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.6	173.1	-76.8	173.4	179.9	-176.3	0	113	R202 R203 S204 L208 N209	R202-K206 WeakPolarHBondContact O-CG 3.23Å; R203-K206 PolarHBondContact O-N 3.46Å; S204-K206 PolarHBondContact O-N 2.76Å; S204-K206 VanDerWaalsContact O-N 3.08Å; K206-L208 PolarHBondContact O-N 3.2Å; K206-N209 PolarHBondContact O-N 3.25Å
207	G	87.9	Confident	85.7	Confident	24 Å²	24	52 Å²	52	25%	0.247	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.2	176.6	0	0	0	0	0	112.5	S204 M205 N209 T412 S415	S204-G207 PolarHBondContact O-N 3.17Å; M205-G207 VanDerWaalsContact C-N 3.28Å; M205-G207 PolarHBondContact O-N 3.37Å; G207-N209 PolarHBondContact O-N 3.24Å; G207-N209 VanDerWaalsContact O-N 3.09Å; G207-T412 WeakPolarHBondContact O-CG2 3.28Å; G207-S415 WeakPolarHBondContact CA-OG 3.41Å
208	L	88.8	Confident	85.7	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.9	176.6	-64.2	-174.3	0	0	0	114.5	M205 K206 L210 F405 R408 L409 S415	M205-L208 WeakPolarHBondContact O-CB 3.43Å; M205-L208 PolarHBondContact O-N 3.16Å; M205-L208 HydrophobicContact SD-CD1 3.81Å; K206-L208 PolarHBondContact O-N 3.2Å; L208-L210 VanDerWaalsContact C-N 3.33Å; L208-L210 HydrophobicContact CB-CD1 3.95Å; L208-L210 HydrophobicContact CB-CG 3.81Å; L208-L210 HydrophobicContact CD1-CD1 3.72Å; L208-L210 PolarHBondContact O-N 2.94Å; L208-F405 HydrophobicContact CD1-CD2 4.46Å; L208-F405 HydrophobicContact CD1-CE2 3.67Å; L208-F405 HydrophobicContact CD1-CZ 4.24Å; L208-R408 HydrophobicContact CD2-CG 3.82Å; L208-R408 PolarHBondContact O-NH2 3.38Å; L208-L409 HydrophobicContact CD1-CD1 3.93Å; L208-L409 HydrophobicContact CD2-CB 4.32Å; L208-L409 HydrophobicContact CD2-CD1 4.06Å; L208-L409 HydrophobicContact CG-CD1 3.9Å; L208-S415 PolarHBondContact N-OG 2.93Å
209	N	88.8	Confident	85.7	Confident	100 Å²	100	51.7 Å²	51.7	54%	0.535	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	46.7	-175.4	-155.6	0.2	0	0	0	113.1	K206 G207 R221	K206-N209 PolarHBondContact O-N 3.25Å; G207-N209 PolarHBondContact O-N 3.24Å; G207-N209 VanDerWaalsContact O-N 3.09Å; N209-R221 PolarHBondContact ND2-NH2 3.38Å
210	L	88.8	Confident	85.6	Confident	17 Å²	17	49.4 Å²	49.4	9%	0.089	24%	0.244	C	C	.	.			trans	-99.2	146.2	176.3	-63.9	176.5	0	0	0	111.2	L208 L217 D219 Y237	L208-L210 VanDerWaalsContact C-N 3.33Å; L208-L210 HydrophobicContact CB-CD1 3.95Å; L208-L210 HydrophobicContact CB-CG 3.81Å; L208-L210 HydrophobicContact CD1-CD1 3.72Å; L208-L210 PolarHBondContact O-N 2.94Å; L210-L217 HydrophobicContact CB-CB 4.02Å; L210-L217 HydrophobicContact CB-CD2 4.42Å; L210-L217 HydrophobicContact CD1-CB 3.97Å; L210-D219 HydrophobicContact CD2-CB 3.55Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.31Å; L210-Y237 HydrophobicContact CD1-CD2 3.98Å; L210-Y237 HydrophobicContact CD1-CE2 4.33Å
211	E	83.9	Confident	85.3	Confident	65 Å²	65	59 Å²	59	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	130.1	-179.1	-73.1	-68.9	-169.3	0	0	112.5	V213 L217 F218 P220 N297	E211-V213 PolarHBondContact O-N 2.8Å; E211-L217 CarbonylContact O-C 3.54Å; E211-L217 WeakPolarHBondContact O-CA 3.24Å; E211-F218 PolarHBondContact N-O 3.5Å; E211-F218 PolarHBondContact O-N 3.31Å; E211-P220 HydrophobicContact CB-CG 4.11Å; E211-P220 HydrophobicContact CG-CG 3.63Å; E211-N297 HydrophobicContact CB-CB 4.29Å; E211-N297 VanDerWaalsContact CD-CB 3.49Å; E211-N297 HydrophobicContact CG-CB 3.84Å; E211-N297 PolarHBondContact OE1-ND2 2.89Å
212	L	80.3	Confident	85.2	Confident	95 Å²	95	61.1 Å²	61.1	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	92.9	-179.4	-179.5	62.6	0	0	0	111	G214 L217	L212-G214 PolarHBondContact O-N 2.82Å; L212-L217 HydrophobicContact CB-CD2 4.25Å; L212-L217 HydrophobicContact CD1-CD2 4.07Å
213	V	76.1	Confident	85.3	Confident	7 Å²	7	59.1 Å²	59.1	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	91	178.8	-172.3	0	0	0	0	109.9	E211 R215 N216 F218 K257 T299	E211-V213 PolarHBondContact O-N 2.8Å; V213-R215 PolarHBondContact O-N 3.32Å; V213-N216 PolarHBondContact N-O 2.87Å; V213-F218 HydrophobicContact CB-CD2 3.61Å; V213-F218 HydrophobicContact CB-CE2 3.81Å; V213-F218 HydrophobicContact CG2-CD2 3.81Å; V213-F218 HydrophobicContact CG2-CE2 4.49Å; V213-K257 HydrophobicContact CG1-CD 4.03Å; V213-T299 HydrophobicContact CG1-CG2 3.64Å
214	G	74.2	Confident	85.4	Confident	57 Å²	57	57.1 Å²	57.1	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-93.6	-177.1	0	0	0	0	0	111.8	L212	L212-G214 PolarHBondContact O-N 2.82Å
215	R	73.2	Confident	85.3	Confident	191 Å²	191	60.8 Å²	60.8	72%	0.721	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-9.9	176.5	-73	-177.5	170.6	169.9	-4.9	113.9	D74 V213	D74-R215 IonicContact OD1-NH2 2.68Å; V213-R215 PolarHBondContact O-N 3.32Å
216	N	86.6	Confident	85.3	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.112	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.8	-170.2	-58.8	7.2	0	0	0	110.2	V213 F218 E238 T255	V213-N216 PolarHBondContact N-O 2.87Å; N216-F218 HydrophobicContact CB-CD2 4.44Å; N216-F218 HydrophobicContact CB-CE2 3.59Å; N216-F218 HydrophobicContact CB-CZ 3.83Å; N216-F218 WeakPolarHBondContact O-CD2 2.97Å; N216-E238 PolarHBondContact ND2-OE2 2.82Å; N216-E238 WeakPolarHBondContact OD1-CG 3.3Å; N216-T255 HydrophobicContact CB-CG2 4.13Å
217	L	88.8	Confident	85.2	Confident	17 Å²	17	62.7 Å²	62.7	9%	0.089	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.5	-176.6	-63.5	167.2	0	0	0	109.5	M205 L210 E211 L212 G236 Y237 T239	M205-L217 HydrophobicContact CB-CD1 3.65Å; M205-L217 HydrophobicContact CG-CD1 3.69Å; M205-L217 HydrophobicContact SD-CD1 3.83Å; L210-L217 HydrophobicContact CB-CB 4.02Å; L210-L217 HydrophobicContact CB-CD2 4.42Å; L210-L217 HydrophobicContact CD1-CB 3.97Å; E211-L217 CarbonylContact O-C 3.54Å; E211-L217 WeakPolarHBondContact O-CA 3.24Å; L212-L217 HydrophobicContact CB-CD2 4.25Å; L212-L217 HydrophobicContact CD1-CD2 4.07Å; L217-G236 CarbonylContact O-C 3.38Å; L217-G236 WeakPolarHBondContact O-CA 3.13Å; L217-Y237 PolarHBondContact N-O 2.81Å; L217-Y237 PolarHBondContact O-N 2.74Å; L217-T239 HydrophobicContact CD1-CG2 4.47Å
218	F	89.6	Confident	85.1	Confident	5 Å²	5	69.3 Å²	69.3	2%	0.022	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	156.4	179.8	-63	-86	0	0	0	111.4	E211 V213 N216 P220 W234 P235 T255 K257	E211-F218 PolarHBondContact N-O 3.5Å; E211-F218 PolarHBondContact O-N 3.31Å; V213-F218 HydrophobicContact CB-CD2 3.61Å; V213-F218 HydrophobicContact CB-CE2 3.81Å; V213-F218 HydrophobicContact CG2-CD2 3.81Å; V213-F218 HydrophobicContact CG2-CE2 4.49Å; N216-F218 HydrophobicContact CB-CD2 4.44Å; N216-F218 HydrophobicContact CB-CE2 3.59Å; N216-F218 HydrophobicContact CB-CZ 3.83Å; N216-F218 WeakPolarHBondContact O-CD2 2.97Å; F218-P220 WeakPolarHBondContact O-CD 3.27Å; F218-W234 HydrophobicContact CB-CB 4.39Å; F218-W234 HydrophobicContact CB-CE3 4.37Å; F218-W234 WeakPolarHBondContact CD1-O 3.48Å; F218-P235 WeakPolarHBondContact CA-O 3.43Å; F218-T255 HydrophobicContact CE1-CG2 3.57Å; F218-T255 HydrophobicContact CZ-CG2 3.72Å; F218-K257 HydrophobicContact CD1-CB 3.79Å; F218-K257 HydrophobicContact CE1-CB 3.64Å; F218-K257 HydrophobicContact CE2-CB 4.33Å; F218-K257 HydrophobicContact CE2-CD 4.36Å; F218-K257 HydrophobicContact CG-CB 4.23Å; F218-K257 HydrophobicContact CZ-CB 3.91Å; F218-K257 HydrophobicContact CZ-CD 4.28Å
219	D	89.1	Confident	85	Confident	11 Å²	11	71.2 Å²	71.2	6%	0.059	34%	0.342	C	S	.	.			trans	-109.9	100	175.9	-161.7	-45.2	0	0	0	109.6	L210 R221 A222 P235 R408	L210-D219 HydrophobicContact CD2-CB 3.55Å; L210-D219 WeakPolarHBondContact CD2-OD2 3.31Å; D219-R221 PolarHBondContact O-N 2.65Å; D219-R221 WeakPolarHBondContact OD1-CA 3.48Å; D219-R221 VanDerWaalsContact OD1-CB 3.3Å; D219-R221 WeakPolarHBondContact OD1-CB 3.31Å; D219-R221 PolarHBondContact OD1-N 3.11Å; D219-A222 HydrophobicContact CB-CB 4.07Å; D219-A222 PolarHBondContact O-N 3.36Å; D219-A222 PolarHBondContact OD1-N 2.85Å; D219-A222 VanDerWaalsContact OD1-N 3.08Å; D219-P235 PolarHBondContact N-O 3.03Å; D219-R408 IonicContact OD2-CZ 3.67Å; D219-R408 IonicContact OD2-NH1 3.98Å; D219-R408 PolarHBondContact OD2-NH1 3.19Å; D219-R408 IonicContact OD2-NH2 3.54Å; D219-R408 PolarHBondContact OD2-NH2 2.76Å
220	P	83.9	Confident	84.9	Confident	30 Å²	30	73.7 Å²	73.7	20%	0.195	35%	0.348	C	S	.	.	S	Bend	trans	-68.4	-20.7	178.3	-14.6	27.8	0	0	0	112.8	E211 F218 K223 W234	E211-P220 HydrophobicContact CB-CG 4.11Å; E211-P220 HydrophobicContact CG-CG 3.63Å; F218-P220 WeakPolarHBondContact O-CD 3.27Å; P220-K223 WeakPolarHBondContact O-CB 3.26Å; P220-K223 WeakPolarHBondContact O-CG 3.43Å; P220-K223 PolarHBondContact O-N 3.05Å; P220-W234 HydrophobicContact CB-CD2 4.24Å; P220-W234 HydrophobicContact CB-CE3 4.08Å; P220-W234 HydrophobicContact CB-CH2 3.87Å; P220-W234 HydrophobicContact CB-CZ2 4.06Å; P220-W234 HydrophobicContact CB-CZ3 3.9Å; P220-W234 HydrophobicContact CG-CE3 3.98Å; P220-W234 HydrophobicContact CG-CH2 4.07Å; P220-W234 HydrophobicContact CG-CZ3 3.69Å
221	R	83.8	Confident	84.8	Confident	202 Å²	202	73.1 Å²	73.1	76%	0.762	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-34.5	-179.9	-52.8	177.1	179.2	-168.5	-2.9	110.3	N209 D219 K223	N209-R221 PolarHBondContact ND2-NH2 3.38Å; D219-R221 PolarHBondContact O-N 2.65Å; D219-R221 WeakPolarHBondContact OD1-CA 3.48Å; D219-R221 VanDerWaalsContact OD1-CB 3.3Å; D219-R221 WeakPolarHBondContact OD1-CB 3.31Å; D219-R221 PolarHBondContact OD1-N 3.11Å; R221-K223 VanDerWaalsContact C-N 3.25Å; R221-K223 PolarHBondContact O-N 2.68Å
222	A	85.2	Confident	85.1	Confident	51 Å²	51	70.5 Å²	70.5	42%	0.421	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	24.8	173.1	0	0	0	0	0	113.9	D219 P235	D219-A222 HydrophobicContact CB-CB 4.07Å; D219-A222 PolarHBondContact O-N 3.36Å; D219-A222 PolarHBondContact OD1-N 2.85Å; D219-A222 VanDerWaalsContact OD1-N 3.08Å; A222-P235 HydrophobicContact CB-CG 3.8Å; A222-P235 WeakPolarHBondContact O-CD 3.12Å; A222-P235 VanDerWaalsContact O-CG 3.28Å; A222-P235 WeakPolarHBondContact O-CG 3.49Å
223	K	88.3	Confident	85.5	Confident	78 Å²	78	66 Å²	66	34%	0.339	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-61.2	141.5	179.5	65.2	162.4	-178.5	160.7	0	112.4	P220 R221 E225 E232 W234	P220-K223 WeakPolarHBondContact O-CB 3.26Å; P220-K223 WeakPolarHBondContact O-CG 3.43Å; P220-K223 PolarHBondContact O-N 3.05Å; R221-K223 VanDerWaalsContact C-N 3.25Å; R221-K223 PolarHBondContact O-N 2.68Å; K223-E225 HydrophobicContact CD-CG 4.47Å; K223-E225 WeakPolarHBondContact CE-OE1 3.12Å; K223-E225 IonicContact NZ-OE1 2.66Å; K223-E225 PolarHBondContact NZ-OE1 3.32Å; K223-E232 VanDerWaalsContact CD-CD 3.42Å; K223-E232 HydrophobicContact CD-CG 4.09Å; K223-E232 WeakPolarHBondContact CD-OE2 3.38Å; K223-E232 VanDerWaalsContact NZ-CD 3.31Å; K223-E232 IonicContact NZ-OE1 3.88Å; K223-E232 PolarHBondContact NZ-OE1 3.12Å; K223-E232 IonicContact NZ-OE2 3.97Å; K223-W234 HydrophobicContact CB-CG 4.44Å
224	I	88.9	Confident	86.2	Confident	54 Å²	54	66.2 Å²	66.2	28%	0.277	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.4	173	-56.2	-179.5	0	0	0	108.3	E232 L233 Y390	I224-E232 CarbonylContact O-C 3.51Å; I224-E232 WeakPolarHBondContact O-CA 3.36Å; I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 2.76Å; I224-L233 PolarHBondContact O-N 3.35Å; I224-Y390 HydrophobicContact CD1-CD1 3.84Å; I224-Y390 HydrophobicContact CD1-CE1 4.41Å; I224-Y390 HydrophobicContact CD1-CG 4.35Å; I224-Y390 HydrophobicContact CG2-CD1 4.07Å; I224-Y390 HydrophobicContact CG2-CD2 4.48Å; I224-Y390 HydrophobicContact CG2-CE1 3.86Å; I224-Y390 HydrophobicContact CG2-CE2 4.28Å; I224-Y390 HydrophobicContact CG2-CG 4.38Å
225	E	89.2	Confident	87	Confident	78 Å²	78	64.8 Å²	64.8	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.7	177.6	-57.7	-164.2	154.1	0	0	111.6	K223 R227 E232	K223-E225 HydrophobicContact CD-CG 4.47Å; K223-E225 WeakPolarHBondContact CE-OE1 3.12Å; K223-E225 IonicContact NZ-OE1 2.66Å; K223-E225 PolarHBondContact NZ-OE1 3.32Å; E225-R227 HydrophobicContact CB-CG 4.17Å; E225-R227 IonicContact OE2-CZ 3.23Å; E225-R227 IonicContact OE2-NE 2.95Å; E225-R227 PolarHBondContact OE2-NE 2.69Å; E225-R227 IonicContact OE2-NH2 2.7Å; E225-R227 PolarHBondContact OE2-NH2 3.14Å; E225-E232 HydrophobicContact CG-CG 4.39Å
226	I	88.7	Confident	87.9	Confident	11 Å²	11	55.7 Å²	55.7	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	74	173.6	-49.5	-178.5	0	0	0	107.3	E228 F229 K230 M231 M387 Y390	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.41Å; I226-F229 HydrophobicContact CG2-CD2 3.83Å; I226-F229 PolarHBondContact O-N 2.83Å; I226-F229 VanDerWaalsContact O-N 3.17Å; I226-K230 PolarHBondContact O-N 2.92Å; I226-M231 CarbonylContact C-O 3.22Å; I226-M231 WeakPolarHBondContact CA-O 3.45Å; I226-M231 PolarHBondContact N-O 2.84Å; I226-M231 PolarHBondContact O-N 3.45Å; I226-M387 HydrophobicContact CD1-CG 3.89Å; I226-Y390 HydrophobicContact CD1-CD2 4.07Å; I226-Y390 HydrophobicContact CD1-CE2 4.18Å; I226-Y390 HydrophobicContact CG1-CE2 4.32Å
227	R	85.8	Confident	88.1	Confident	198 Å²	198	56.3 Å²	56.3	75%	0.747	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-59.3	-39.5	-169.4	-65.6	-176.7	176.3	-178.3	-1.7	113.1	E225 F229 K230	E225-R227 HydrophobicContact CB-CG 4.17Å; E225-R227 IonicContact OE2-CZ 3.23Å; E225-R227 IonicContact OE2-NE 2.95Å; E225-R227 PolarHBondContact OE2-NE 2.69Å; E225-R227 IonicContact OE2-NH2 2.7Å; E225-R227 PolarHBondContact OE2-NH2 3.14Å; R227-F229 PolarHBondContact O-N 2.89Å; R227-F229 VanDerWaalsContact O-N 3.08Å; R227-K230 PolarHBondContact O-N 2.97Å
228	E	86.3	Confident	88.3	Confident	162 Å²	162	58.3 Å²	58.3	76%	0.757	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-47.2	-36.9	175.3	-65.1	171.9	-171.5	0	0	113.6	I226	I226-E228 VanDerWaalsContact C-N 3.33Å; I226-E228 PolarHBondContact O-N 3.41Å
229	F	85.4	Confident	88.3	Confident	45 Å²	45	59.3 Å²	59.3	20%	0.197	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-115	15.7	-176.2	-57.3	-78.7	0	0	0	113	I226 R227 M231 Q382 L383 A386	I226-F229 HydrophobicContact CG2-CD2 3.83Å; I226-F229 PolarHBondContact O-N 2.83Å; I226-F229 VanDerWaalsContact O-N 3.17Å; R227-F229 PolarHBondContact O-N 2.89Å; R227-F229 VanDerWaalsContact O-N 3.08Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 HydrophobicContact CB-CE 3.69Å; F229-M231 WeakPolarHBondContact O-CE 3.32Å; F229-M231 PolarHBondContact O-N 2.99Å; F229-Q382 HydrophobicContact CE1-CB 4.31Å; F229-Q382 HydrophobicContact CZ-CB 3.87Å; F229-L383 HydrophobicContact CB-CD1 3.81Å; F229-L383 HydrophobicContact CD1-CB 3.82Å; F229-L383 HydrophobicContact CD1-CD1 4.34Å; F229-L383 HydrophobicContact CD1-CG 4.49Å; F229-L383 HydrophobicContact CD2-CB 4.47Å; F229-L383 HydrophobicContact CD2-CD1 4.15Å; F229-L383 HydrophobicContact CE1-CB 3.91Å; F229-L383 HydrophobicContact CG-CB 4.13Å; F229-L383 HydrophobicContact CG-CD1 3.84Å; F229-L383 HydrophobicContact CG-CG 4.46Å; F229-L383 HydrophobicContact CZ-CB 4.3Å; F229-A386 HydrophobicContact CD2-CB 4.39Å; F229-A386 HydrophobicContact CE2-CB 3.97Å
230	K	86.3	Confident	88.3	Confident	153 Å²	153	60.6 Å²	60.6	67%	0.665	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	49.8	-177.6	-60.7	-173.6	179.3	-175.4	0	113.1	I226 R227 T261	I226-K230 PolarHBondContact O-N 2.92Å; R227-K230 PolarHBondContact O-N 2.97Å; K230-T261 WeakPolarHBondContact O-CB 3.48Å; K230-T261 PolarHBondContact O-N 2.95Å; K230-T261 PolarHBondContact O-OG1 3.29Å
231	M	87.5	Confident	88.5	Confident	5 Å²	5	59.2 Å²	59.2	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.4	179.6	-95.2	169.2	-82.8	0	0	112.9	I226 F229 V258 M259 R260 L373 M377 L383 M387	I226-M231 CarbonylContact C-O 3.22Å; I226-M231 WeakPolarHBondContact CA-O 3.45Å; I226-M231 PolarHBondContact N-O 2.84Å; I226-M231 PolarHBondContact O-N 3.45Å; F229-M231 VanDerWaalsContact C-N 3.33Å; F229-M231 HydrophobicContact CB-CE 3.69Å; F229-M231 WeakPolarHBondContact O-CE 3.32Å; F229-M231 PolarHBondContact O-N 2.99Å; M231-V258 HydrophobicContact CG-CG1 4.28Å; M231-V258 HydrophobicContact SD-CG1 3.8Å; M231-M259 CarbonylContact C-O 3.51Å; M231-M259 WeakPolarHBondContact CA-O 3.38Å; M231-M259 WeakPolarHBondContact CG-O 3.14Å; M231-R260 HydrophobicContact CG-CG 4.32Å; M231-L373 HydrophobicContact SD-CD2 3.66Å; M231-M377 HydrophobicContact CE-CE 3.34Å; M231-M377 HydrophobicContact CG-CE 4.46Å; M231-M377 HydrophobicContact SD-CE 3.43Å; M231-M377 WeakPolarHBondContact SD-CE 3.38Å; M231-L383 HydrophobicContact CE-CD1 3.43Å; M231-L383 VanDerWaalsContact CE-CD1 3.43Å; M231-L383 HydrophobicContact CE-CD2 3.67Å; M231-L383 HydrophobicContact CE-CG 4.21Å; M231-L383 HydrophobicContact SD-CD1 4.1Å; M231-M387 HydrophobicContact SD-SD 4.32Å
232	E	89.6	Confident	88.7	Confident	10 Å²	10	52.8 Å²	52.8	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151.5	165.9	-69	175.4	-156.8	0	0	109.4	K223 I224 E225 W234 M259 R369	K223-E232 VanDerWaalsContact CD-CD 3.42Å; K223-E232 HydrophobicContact CD-CG 4.09Å; K223-E232 WeakPolarHBondContact CD-OE2 3.38Å; K223-E232 VanDerWaalsContact NZ-CD 3.31Å; K223-E232 IonicContact NZ-OE1 3.88Å; K223-E232 PolarHBondContact NZ-OE1 3.12Å; K223-E232 IonicContact NZ-OE2 3.97Å; I224-E232 CarbonylContact O-C 3.51Å; I224-E232 WeakPolarHBondContact O-CA 3.36Å; E225-E232 HydrophobicContact CG-CG 4.39Å; E232-W234 PolarHBondContact OE2-NE1 3.43Å; E232-M259 HydrophobicContact CB-CB 4.1Å; E232-M259 PolarHBondContact N-O 3.31Å; E232-M259 PolarHBondContact O-N 2.9Å; E232-M259 VanDerWaalsContact O-O 3.1Å; E232-R369 IonicContact OE1-CZ 3.65Å; E232-R369 IonicContact OE1-NH1 3.86Å; E232-R369 PolarHBondContact OE1-NH1 3.27Å; E232-R369 IonicContact OE1-NH2 2.7Å; E232-R369 PolarHBondContact OE1-NH2 2.84Å; E232-R369 IonicContact OE2-NH1 2.91Å; E232-R369 IonicContact OE2-NH2 2.73Å; E232-R369 PolarHBondContact OE2-NH2 3.25Å
233	L	89.8	Confident	88.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109.1	176.1	-177.7	165.3	0	0	0	107.5	I224 H256 K257 T391	I224-L233 HydrophobicContact CB-CB 4.38Å; I224-L233 HydrophobicContact CD1-CD2 4.34Å; I224-L233 PolarHBondContact N-O 2.76Å; I224-L233 PolarHBondContact O-N 3.35Å; L233-H256 HydrophobicContact CD2-CB 3.82Å; L233-H256 VanDerWaalsContact CD2-CD2 3.45Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.37Å; L233-H256 HydrophobicContact CG-CB 4.11Å; L233-K257 WeakPolarHBondContact CA-O 3.42Å; L233-T391 HydrophobicContact CD1-CG2 3.87Å
234	W	90.2	Very high	88.9	Confident	10 Å²	10	49.1 Å²	49.1	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.2	178.8	-60.9	4.9	0	0	0	109	F218 P220 K223 E232 H256 K257 M259 L292 N297	F218-W234 HydrophobicContact CB-CB 4.39Å; F218-W234 HydrophobicContact CB-CE3 4.37Å; F218-W234 WeakPolarHBondContact CD1-O 3.48Å; P220-W234 HydrophobicContact CB-CD2 4.24Å; P220-W234 HydrophobicContact CB-CE3 4.08Å; P220-W234 HydrophobicContact CB-CH2 3.87Å; P220-W234 HydrophobicContact CB-CZ2 4.06Å; P220-W234 HydrophobicContact CB-CZ3 3.9Å; P220-W234 HydrophobicContact CG-CE3 3.98Å; P220-W234 HydrophobicContact CG-CH2 4.07Å; P220-W234 HydrophobicContact CG-CZ3 3.69Å; K223-W234 HydrophobicContact CB-CG 4.44Å; E232-W234 PolarHBondContact OE2-NE1 3.43Å; W234-H256 WeakPolarHBondContact O-CA 3.39Å; W234-K257 HydrophobicContact CB-CB 4.28Å; W234-K257 PolarHBondContact N-O 2.82Å; W234-K257 PolarHBondContact O-N 3.02Å; W234-M259 HydrophobicContact CD2-CG 4.21Å; W234-M259 HydrophobicContact CG-CG 4.36Å; W234-L292 HydrophobicContact CH2-CD2 3.42Å; W234-L292 VanDerWaalsContact CH2-CD2 3.42Å; W234-L292 HydrophobicContact CZ2-CD2 4.01Å; W234-L292 HydrophobicContact CZ3-CD2 3.95Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.23Å
235	P	90.9	Very high	88.8	Confident	28 Å²	28	48.3 Å²	48.3	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	153.3	173.4	32.1	-35.1	0	0	0	110.6	F218 D219 A222	F218-P235 WeakPolarHBondContact CA-O 3.43Å; D219-P235 PolarHBondContact N-O 3.03Å; A222-P235 HydrophobicContact CB-CG 3.8Å; A222-P235 WeakPolarHBondContact O-CD 3.12Å; A222-P235 VanDerWaalsContact O-CG 3.28Å; A222-P235 WeakPolarHBondContact O-CG 3.49Å
236	G	92	Very high	88.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	-174.4	-179.3	0	0	0	0	0	114.5	L217 T255	L217-G236 CarbonylContact O-C 3.38Å; L217-G236 WeakPolarHBondContact O-CA 3.13Å; G236-T255 CarbonylContact C-O 3.5Å; G236-T255 PolarHBondContact N-O 3.18Å; G236-T255 PolarHBondContact O-N 2.86Å; G236-T255 VanDerWaalsContact O-O 3.11Å
237	Y	91.6	Very high	88.6	Confident	34 Å²	34	53.4 Å²	53.4	13%	0.133	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	123.9	-168.1	-53.2	-80.9	0	0	0	109.5	L210 L217 T252 E253 I254 F405	L210-Y237 HydrophobicContact CD1-CD2 3.98Å; L210-Y237 HydrophobicContact CD1-CE2 4.33Å; L217-Y237 PolarHBondContact N-O 2.81Å; L217-Y237 PolarHBondContact O-N 2.74Å; Y237-T252 HydrophobicContact CD1-CG2 3.94Å; Y237-T252 HydrophobicContact CG-CG2 4.46Å; Y237-E253 WeakPolarHBondContact CA-O 3.45Å; Y237-I254 HydrophobicContact CD1-CD1 3.7Å; Y237-I254 HydrophobicContact CE1-CD1 3.43Å; Y237-I254 VanDerWaalsContact CE1-CD1 3.43Å; Y237-F405 HydrophobicContact CD1-CB 4.15Å; Y237-F405 HydrophobicContact CD1-CD1 4.43Å; Y237-F405 AromaticContact CD1-CD2 3.49Å; Y237-F405 HydrophobicContact CD1-CD2 3.49Å; Y237-F405 VanDerWaalsContact CD1-CD2 3.49Å; Y237-F405 AromaticContact CD1-CE2 3.92Å; Y237-F405 HydrophobicContact CD1-CE2 3.92Å; Y237-F405 AromaticContact CD1-CG 3.76Å; Y237-F405 HydrophobicContact CD1-CG 3.76Å; Y237-F405 AromaticContact CD2-CD2 3.66Å; Y237-F405 HydrophobicContact CD2-CD2 3.66Å; Y237-F405 AromaticContact CD2-CE2 3.66Å; Y237-F405 HydrophobicContact CD2-CE2 3.66Å; Y237-F405 HydrophobicContact CE1-CB 3.55Å; Y237-F405 AromaticContact CE1-CD2 3.43Å; Y237-F405 HydrophobicContact CE1-CD2 3.43Å; Y237-F405 VanDerWaalsContact CE1-CD2 3.43Å; Y237-F405 HydrophobicContact CE1-CE2 4.28Å; Y237-F405 AromaticContact CE1-CG 3.64Å; Y237-F405 HydrophobicContact CE1-CG 3.64Å; Y237-F405 AromaticContact CE2-CD2 3.61Å; Y237-F405 HydrophobicContact CE2-CD2 3.61Å; Y237-F405 HydrophobicContact CE2-CE2 4.06Å; Y237-F405 AromaticContact CG-CD2 3.61Å; Y237-F405 HydrophobicContact CG-CD2 3.61Å; Y237-F405 AromaticContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CG 4.31Å; Y237-F405 HydrophobicContact CG-CZ 4.29Å; Y237-F405 AromaticContact CZ-CD2 3.5Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.5Å
238	E	91.4	Very high	88.9	Confident	59 Å²	59	44.3 Å²	44.3	28%	0.276	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.9	164.7	-172.2	153.8	166.1	0	0	107.2	N216 T252 E253 T255 N731	N216-E238 PolarHBondContact ND2-OE2 2.82Å; N216-E238 WeakPolarHBondContact OD1-CG 3.3Å; E238-T252 WeakPolarHBondContact O-CA 3.33Å; E238-E253 PolarHBondContact N-O 2.92Å; E238-E253 PolarHBondContact O-N 2.9Å; E238-T255 HydrophobicContact CB-CG2 4.36Å; E238-N731 VanDerWaalsContact CD-ND2 3.29Å; E238-N731 PolarHBondContact OE1-ND2 2.93Å
239	T	90.3	Very high	89.3	Confident	26 Å²	26	36.7 Å²	36.7	16%	0.16	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.1	-171.6	58.2	0	0	0	0	110.8	M205 L217 G251 T252 F405	M205-T239 HydrophobicContact CE-CG2 4.17Å; L217-T239 HydrophobicContact CD1-CG2 4.47Å; T239-G251 WeakPolarHBondContact CA-O 3.2Å; T239-T252 HydrophobicContact CG2-CG2 4.29Å; T239-F405 HydrophobicContact CG2-CZ 4.27Å
240	S	88.4	Confident	89.7	Confident	37 Å²	37	34.7 Å²	34.7	26%	0.259	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	119	174.7	59.6	0	0	0	0	111	G251	S240-G251 PolarHBondContact N-O 2.75Å; S240-G251 PolarHBondContact O-N 3.1Å
241	I	89.5	Confident	90.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.3	169.2	-174.4	167.3	0	0	0	109.9	L106 L194 L197 L201 I248 L249	L106-I241 HydrophobicContact CD1-CD1 4.49Å; L106-I241 HydrophobicContact CD2-CD1 3.77Å; L194-I241 WeakPolarHBondContact CD1-O 3.39Å; L197-I241 HydrophobicContact CB-CD1 4.03Å; L197-I241 HydrophobicContact CB-CG1 4.16Å; L197-I241 HydrophobicContact CB-CG2 3.99Å; L197-I241 HydrophobicContact CD1-CG1 4.37Å; L197-I241 HydrophobicContact CD2-CD1 4.05Å; L197-I241 HydrophobicContact CG-CD1 4.45Å; L201-I241 HydrophobicContact CB-CG2 3.95Å; L201-I241 HydrophobicContact CD2-CB 4.04Å; L201-I241 HydrophobicContact CD2-CG2 3.81Å; L201-I241 HydrophobicContact CG-CG2 4.42Å; I241-I248 HydrophobicContact CD1-CG2 3.9Å; I241-I248 HydrophobicContact CG1-CG2 3.77Å; I241-L249 WeakPolarHBondContact CA-O 3.4Å
242	R	86.9	Confident	90.3	Very high	67 Å²	67	27.2 Å²	27.2	25%	0.253	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	157.1	176	-68.3	-168.4	171	-108.9	-11	111.1	L194 H244 I248 L249 L753	L194-R242 HydrophobicContact CD1-CB 4.46Å; L194-R242 HydrophobicContact CD1-CG 3.82Å; R242-H244 PolarHBondContact O-CD2 2.93Å; R242-I248 WeakPolarHBondContact O-CA 3.43Å; R242-L249 PolarHBondContact N-O 3.1Å; R242-L249 VanDerWaalsContact N-O 3.1Å; R242-L249 PolarHBondContact O-N 2.84Å; R242-L753 HydrophobicContact CB-CD2 4.44Å
243	Q	87.9	Confident	90.5	Very high	44 Å²	44	27.3 Å²	27.3	21%	0.206	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.9	154.2	-176.4	62.1	33.7	0	0	108.5	C188 F193 K246 I248 P754	C188-Q243 HydrophobicContact CB-CG 4.47Å; F193-Q243 HydrophobicContact CE1-CB 4.23Å; Q243-K246 VanDerWaalsContact NE2-C 3.28Å; Q243-K246 PolarHBondContact NE2-O 2.97Å; Q243-K246 VanDerWaalsContact NE2-O 3.07Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.27Å; Q243-P754 HydrophobicContact CG-CG 4.42Å
244	H	90.4	Very high	90.5	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.032	13%	0.134	C	C	.	.			trans	-114.6	-171	168.8	-72.1	-94.9	0	0	0	109.9	F103 R242 K246 D247 L249 V750 I751 T752 P754	F103-H244 AromaticContact CE1-CE1 3.79Å; F103-H244 AromaticContact CE1-NE2 3.51Å; R242-H244 PolarHBondContact O-CD2 2.93Å; H244-K246 PolarHBondContact O-N 3.22Å; H244-D247 PolarHBondContact N-O 3.22Å; H244-L249 HydrophobicContact CB-CD1 4.04Å; H244-L249 HydrophobicContact CB-CG 4.23Å; H244-V750 WeakPolarHBondContact CB-O 3.42Å; H244-I751 PolarHBondContact CE1-O 2.9Å; H244-I751 VanDerWaalsContact CE1-O 3.24Å; H244-I751 VanDerWaalsContact ND1-C 3.31Å; H244-I751 PolarHBondContact ND1-O 3.24Å; H244-I751 VanDerWaalsContact ND1-O 3.1Å; H244-T752 PolarHBondContact ND1-O 3.43Å; H244-P754 WeakPolarHBondContact O-CG 3.33Å
245	E	87.3	Confident	90.5	Very high	38 Å²	38	29 Å²	29	18%	0.178	14%	0.142	C	C	.	.	S	Bend	trans	-45.8	-30.5	-170.5	-59.2	-57.9	130.4	0	0	115.7	R82 K89 T752 L753	R82-E245 IonicContact NH1-OE2 3.13Å; R82-E245 PolarHBondContact NH1-OE2 3.19Å; K89-E245 VanDerWaalsContact CE-CD 3.5Å; K89-E245 WeakPolarHBondContact CE-OE1 3.47Å; K89-E245 WeakPolarHBondContact CE-OE2 3.46Å; K89-E245 IonicContact NZ-OE1 3.14Å; K89-E245 PolarHBondContact NZ-OE1 3.03Å; K89-E245 IonicContact NZ-OE2 3.79Å; E245-T752 WeakPolarHBondContact CG-OG1 3.48Å; E245-T752 VanDerWaalsContact OE1-C 3.22Å; E245-T752 PolarHBondContact OE1-OG1 3.28Å; E245-L753 PolarHBondContact OE1-N 3.14Å; E245-L753 VanDerWaalsContact OE1-O 3.1Å
246	K	85.2	Confident	90.4	Very high	153 Å²	153	29.6 Å²	29.6	67%	0.665	14%	0.142	S	C	*	.	S	Bend	trans	-134.9	-40.9	177.8	-61	-176.5	-179.3	-177.1	0	113	Q243 H244	Q243-K246 VanDerWaalsContact NE2-C 3.28Å; Q243-K246 PolarHBondContact NE2-O 2.97Å; Q243-K246 VanDerWaalsContact NE2-O 3.07Å; H244-K246 PolarHBondContact O-N 3.22Å
247	D	88.7	Confident	90.1	Very high	42 Å²	42	31.9 Å²	31.9	23%	0.225	15%	0.152	C	C	.	.	S	Bend	trans	-119.1	156.9	-166	-70.6	-74.6	0	0	0	113.6	R105 H244 L249	R105-D247 HydrophobicContact CG-CB 4.19Å; R105-D247 IonicContact CZ-OD1 3.5Å; R105-D247 IonicContact CZ-OD2 3.51Å; R105-D247 IonicContact NE-OD1 3.75Å; R105-D247 PolarHBondContact NE-OD1 2.96Å; R105-D247 IonicContact NE-OD2 2.7Å; R105-D247 IonicContact NH2-OD1 2.62Å; R105-D247 PolarHBondContact NH2-OD1 2.76Å; R105-D247 IonicContact NH2-OD2 3.43Å; H244-D247 PolarHBondContact N-O 3.22Å; D247-L249 HydrophobicContact CB-CD2 3.86Å; D247-L249 HydrophobicContact CB-CG 4.49Å; D247-L249 PolarHBondContact O-N 3.28Å
248	I	92.1	Very high	89.9	Confident	8 Å²	8	31.5 Å²	31.5	4%	0.041	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	120	163.2	-58	171.5	0	0	0	107.6	L106 T108 W112 F193 L197 I241 R242 Q243 M424	L106-I248 HydrophobicContact CB-CB 4.35Å; L106-I248 HydrophobicContact CB-CG2 4.18Å; L106-I248 PolarHBondContact N-O 2.83Å; T108-I248 HydrophobicContact CG2-CD1 4.18Å; W112-I248 HydrophobicContact CE3-CD1 4.26Å; W112-I248 HydrophobicContact CH2-CD1 4.24Å; W112-I248 HydrophobicContact CZ3-CD1 3.73Å; F193-I248 HydrophobicContact CE1-CD1 4.47Å; F193-I248 HydrophobicContact CZ-CD1 4.13Å; L197-I248 HydrophobicContact CD1-CD1 4.32Å; L197-I248 HydrophobicContact CD1-CG1 4.45Å; L197-I248 HydrophobicContact CD1-CG2 4.04Å; L197-I248 HydrophobicContact CD2-CD1 4.18Å; L197-I248 HydrophobicContact CD2-CG2 4.4Å; I241-I248 HydrophobicContact CD1-CG2 3.9Å; I241-I248 HydrophobicContact CG1-CG2 3.77Å; R242-I248 WeakPolarHBondContact O-CA 3.43Å; Q243-I248 VanDerWaalsContact OE1-CG1 3.27Å; I248-M424 HydrophobicContact CD1-CE 3.85Å; I248-M424 HydrophobicContact CG2-CE 4.46Å
249	L	94.2	Very high	89.6	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	140.4	177.7	-51.5	-177.9	0	0	0	111.4	F103 F104 R105 I241 R242 H244 D247 T431 V750 I751	F103-L249 HydrophobicContact CB-CB 4.19Å; F103-L249 HydrophobicContact CB-CD1 4.14Å; F103-L249 HydrophobicContact CD1-CB 3.69Å; F103-L249 HydrophobicContact CD1-CD1 4.1Å; F103-L249 HydrophobicContact CG-CB 4.37Å; F103-L249 HydrophobicContact CG-CD1 4.28Å; F104-L249 WeakPolarHBondContact O-CA 3.17Å; R105-L249 HydrophobicContact CB-CD2 4Å; R105-L249 HydrophobicContact CG-CD2 4.21Å; I241-L249 WeakPolarHBondContact CA-O 3.4Å; R242-L249 PolarHBondContact N-O 3.1Å; R242-L249 VanDerWaalsContact N-O 3.1Å; R242-L249 PolarHBondContact O-N 2.84Å; H244-L249 HydrophobicContact CB-CD1 4.04Å; H244-L249 HydrophobicContact CB-CG 4.23Å; D247-L249 HydrophobicContact CB-CD2 3.86Å; D247-L249 HydrophobicContact CB-CG 4.49Å; D247-L249 PolarHBondContact O-N 3.28Å; L249-T431 HydrophobicContact CD2-CG2 4.48Å; L249-V750 HydrophobicContact CD1-CG1 4.46Å; L249-V750 WeakPolarHBondContact CD1-O 3.46Å; L249-I751 HydrophobicContact CD1-CG2 3.91Å
250	L	94.1	Very high	89.4	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	98.1	166.9	171.8	57.7	0	0	0	109.2	F103 F104 L106 L201 M205 L409 L426	F103-L250 WeakPolarHBondContact CA-O 3.48Å; F104-L250 PolarHBondContact N-O 3Å; F104-L250 PolarHBondContact O-N 3.24Å; L106-L250 HydrophobicContact CD1-CB 3.49Å; L106-L250 VanDerWaalsContact CD1-CB 3.49Å; L201-L250 HydrophobicContact CD1-CD1 3.69Å; L201-L250 HydrophobicContact CD1-CD2 3.78Å; L201-L250 HydrophobicContact CD1-CG 4.34Å; L201-L250 HydrophobicContact CD2-CD1 3.71Å; L201-L250 HydrophobicContact CG-CD1 4.37Å; M205-L250 HydrophobicContact CE-CD2 4.08Å; L250-L409 HydrophobicContact CD2-CD2 4.43Å; L250-L426 HydrophobicContact CB-CD1 4.46Å; L250-L426 HydrophobicContact CD2-CD1 4.11Å; L250-L426 HydrophobicContact CD2-CD2 4.41Å
251	G	93.4	Very high	89.2	Confident	2 Å²	2	29.9 Å²	29.9	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.7	167	0	0	0	0	0	110.6	T239 S240	T239-G251 WeakPolarHBondContact CA-O 3.2Å; S240-G251 PolarHBondContact N-O 2.75Å; S240-G251 PolarHBondContact O-N 3.1Å
252	T	93	Very high	89.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.1	176.3	-59.2	0	0	0	0	110.4	N102 Y237 E238 T239 L402 F405	N102-T252 WeakPolarHBondContact CB-O 3.44Å; N102-T252 PolarHBondContact ND2-O 2.82Å; N102-T252 PolarHBondContact O-N 3.19Å; Y237-T252 HydrophobicContact CD1-CG2 3.94Å; Y237-T252 HydrophobicContact CG-CG2 4.46Å; E238-T252 WeakPolarHBondContact O-CA 3.33Å; T239-T252 HydrophobicContact CG2-CG2 4.29Å; T252-L402 VanDerWaalsContact O-CD2 3.32Å; T252-L402 WeakPolarHBondContact O-CD2 3.02Å; T252-F405 HydrophobicContact CG2-CD1 3.82Å; T252-F405 HydrophobicContact CG2-CE1 3.71Å; T252-F405 HydrophobicContact CG2-CG 4.48Å; T252-F405 HydrophobicContact CG2-CZ 4.29Å
253	E	92.8	Very high	89.3	Confident	12 Å²	12	29.2 Å²	29.2	6%	0.056	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.8	175.4	166.7	64.2	148.8	0	0	111.4	Y237 E238 T255 R398 R733	Y237-E253 WeakPolarHBondContact CA-O 3.45Å; E238-E253 PolarHBondContact N-O 2.92Å; E238-E253 PolarHBondContact O-N 2.9Å; E253-T255 PolarHBondContact O-N 3.2Å; E253-R398 IonicContact OE1-CZ 2.67Å; E253-R398 IonicContact OE1-NH1 3.34Å; E253-R398 PolarHBondContact OE1-NH1 3.04Å; E253-R398 IonicContact OE2-CZ 2.85Å; E253-R398 IonicContact OE2-NE 2.66Å; E253-R398 IonicContact OE2-NH1 3.99Å; E253-R398 PolarHBondContact OE2-NH1 3.33Å; E253-R733 IonicContact OE1-CZ 3.88Å; E253-R733 IonicContact OE1-NE 2.64Å; E253-R733 PolarHBondContact OE1-NE 2.86Å; E253-R733 IonicContact OE1-NH2 2.78Å; E253-R733 PolarHBondContact OE1-NH2 3.19Å
254	I	90.7	Very high	89.5	Confident	13 Å²	13	27.1 Å²	27.1	7%	0.067	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	120	176.7	-46.3	-60	0	0	0	109.8	Y237 M393 R398 R401 L402	Y237-I254 HydrophobicContact CD1-CD1 3.7Å; Y237-I254 HydrophobicContact CE1-CD1 3.43Å; Y237-I254 VanDerWaalsContact CE1-CD1 3.43Å; I254-M393 HydrophobicContact CB-CE 3.72Å; I254-M393 HydrophobicContact CG1-CE 4.28Å; I254-M393 HydrophobicContact CG2-CE 3.68Å; I254-M393 HydrophobicContact CG2-SD 4.35Å; I254-R398 HydrophobicContact CG1-CG 4.26Å; I254-R398 PolarHBondContact O-NH1 2.98Å; I254-R401 HydrophobicContact CD1-CB 3.97Å; I254-R401 HydrophobicContact CG1-CB 4.19Å; I254-L402 HydrophobicContact CD1-CD1 3.77Å; I254-L402 HydrophobicContact CD1-CG 4.36Å; I254-L402 HydrophobicContact CG1-CD1 3.62Å
255	T	90	Very high	89.6	Confident	33 Å²	33	28.3 Å²	28.3	20%	0.202	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	164.6	178.7	-169.2	0	0	0	0	111.1	N216 F218 G236 E238 E253	N216-T255 HydrophobicContact CB-CG2 4.13Å; F218-T255 HydrophobicContact CE1-CG2 3.57Å; F218-T255 HydrophobicContact CZ-CG2 3.72Å; G236-T255 CarbonylContact C-O 3.5Å; G236-T255 PolarHBondContact N-O 3.18Å; G236-T255 PolarHBondContact O-N 2.86Å; G236-T255 VanDerWaalsContact O-O 3.11Å; E238-T255 HydrophobicContact CB-CG2 4.36Å; E253-T255 PolarHBondContact O-N 3.2Å
256	H	88.4	Confident	89.8	Confident	40 Å²	40	29.6 Å²	29.6	19%	0.185	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	123.9	-176.4	-59.3	109.2	0	0	0	110.2	L233 W234 T391	L233-H256 HydrophobicContact CD2-CB 3.82Å; L233-H256 VanDerWaalsContact CD2-CD2 3.45Å; L233-H256 WeakPolarHBondContact CD2-CD2 3.37Å; L233-H256 HydrophobicContact CG-CB 4.11Å; W234-H256 WeakPolarHBondContact O-CA 3.39Å; H256-T391 HydrophobicContact CB-CG2 4.2Å
257	K	86.8	Confident	89.9	Confident	48 Å²	48	22.8 Å²	22.8	21%	0.209	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.1	173.9	-166.7	80.5	178.9	-168.7	0	108.7	V213 F218 L233 W234 M259	V213-K257 HydrophobicContact CG1-CD 4.03Å; F218-K257 HydrophobicContact CD1-CB 3.79Å; F218-K257 HydrophobicContact CE1-CB 3.64Å; F218-K257 HydrophobicContact CE2-CB 4.33Å; F218-K257 HydrophobicContact CE2-CD 4.36Å; F218-K257 HydrophobicContact CG-CB 4.23Å; F218-K257 HydrophobicContact CZ-CB 3.91Å; F218-K257 HydrophobicContact CZ-CD 4.28Å; L233-K257 WeakPolarHBondContact CA-O 3.42Å; W234-K257 HydrophobicContact CB-CB 4.28Å; W234-K257 PolarHBondContact N-O 2.82Å; W234-K257 PolarHBondContact O-N 3.02Å; K257-M259 HydrophobicContact CG-CG 4.29Å; K257-M259 HydrophobicContact CG-SD 3.92Å
258	V	87.5	Confident	89.9	Confident	26 Å²	26	21.3 Å²	21.3	16%	0.158	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	124.8	170.2	-177.8	0	0	0	0	109	M231 G372 L373 M387	M231-V258 HydrophobicContact CG-CG1 4.28Å; M231-V258 HydrophobicContact SD-CG1 3.8Å; V258-G372 PolarHBondContact O-N 3.43Å; V258-L373 HydrophobicContact CG1-CD2 3.89Å; V258-L373 HydrophobicContact CG1-CG 4.39Å; V258-M387 HydrophobicContact CG1-SD 4.08Å; V258-M387 HydrophobicContact CG2-SD 4.12Å
259	M	83.8	Confident	89.6	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.2	-178.8	-70.4	-53.2	-52.8	0	0	108.9	M231 E232 W234 K257 L292 R369 T371	M231-M259 CarbonylContact C-O 3.51Å; M231-M259 WeakPolarHBondContact CA-O 3.38Å; M231-M259 WeakPolarHBondContact CG-O 3.14Å; E232-M259 HydrophobicContact CB-CB 4.1Å; E232-M259 PolarHBondContact N-O 3.31Å; E232-M259 PolarHBondContact O-N 2.9Å; E232-M259 VanDerWaalsContact O-O 3.1Å; W234-M259 HydrophobicContact CD2-CG 4.21Å; W234-M259 HydrophobicContact CG-CG 4.36Å; K257-M259 HydrophobicContact CG-CG 4.29Å; K257-M259 HydrophobicContact CG-SD 3.92Å; M259-L292 HydrophobicContact CE-CB 3.5Å; M259-L292 VanDerWaalsContact CE-CB 3.5Å; M259-L292 HydrophobicContact CE-CD2 3.63Å; M259-L292 HydrophobicContact CE-CG 4.18Å; M259-L292 HydrophobicContact SD-CB 4.44Å; M259-L292 HydrophobicContact SD-CD2 4.22Å; M259-R369 HydrophobicContact CE-CB 4.26Å; M259-T371 HydrophobicContact CE-CG2 3.85Å; M259-T371 HydrophobicContact SD-CG2 3.69Å
260	R	86.8	Confident	89.1	Confident	18 Å²	18	35.5 Å²	35.5	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	145.2	169.7	-56.3	-171.5	-152.9	167.1	10.1	109.3	M231 E262 R369 V370 G372 M377	M231-R260 HydrophobicContact CG-CG 4.32Å; R260-E262 HydrophobicContact CB-CB 4.32Å; R260-R369 PolarHBondContact O-NE 2.81Å; R260-R369 PolarHBondContact O-NH2 2.82Å; R260-V370 HydrophobicContact CB-CB 4.44Å; R260-V370 WeakPolarHBondContact CB-O 3.41Å; R260-V370 HydrophobicContact CG-CB 4.35Å; R260-V370 WeakPolarHBondContact CG-O 3.44Å; R260-V370 VanDerWaalsContact CZ-CG1 3.45Å; R260-V370 PolarHBondContact N-O 2.95Å; R260-G372 PolarHBondContact NE-O 3.35Å; R260-G372 PolarHBondContact NH2-O 2.92Å; R260-M377 HydrophobicContact CG-CE 4.04Å; R260-M377 VanDerWaalsContact CZ-SD 3.56Å
261	T	84.3	Confident	88.4	Confident	69 Å²	69	36 Å²	36	42%	0.423	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-17.5	167.1	-45.6	0	0	0	0	111.1	K230	K230-T261 WeakPolarHBondContact O-CB 3.48Å; K230-T261 PolarHBondContact O-N 2.95Å; K230-T261 PolarHBondContact O-OG1 3.29Å
262	E	86.9	Confident	87.1	Confident	36 Å²	36	38.8 Å²	38.8	17%	0.168	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	135.1	171.9	-167.8	179	-151	0	0	112.7	R260 D266 I267 R270 V370	R260-E262 HydrophobicContact CB-CB 4.32Å; E262-D266 HydrophobicContact CG-CB 3.52Å; E262-I267 HydrophobicContact CG-CG1 4.07Å; E262-R270 IonicContact OE1-CZ 2.93Å; E262-R270 IonicContact OE1-NE 3.22Å; E262-R270 PolarHBondContact OE1-NE 2.92Å; E262-R270 IonicContact OE1-NH2 3.36Å; E262-R270 PolarHBondContact OE1-NH2 3.17Å; E262-R270 IonicContact OE2-CZ 2.74Å; E262-R270 IonicContact OE2-NH2 3.66Å; E262-R270 PolarHBondContact OE2-NH2 3.04Å; E262-V370 PolarHBondContact O-N 3.21Å
263	T	91.2	Very high	85.9	Confident	20 Å²	20	46.6 Å²	46.6	12%	0.123	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	168.3	175.1	67.8	0	0	0	0	112.1	Y265 D266 I267 C368 R369	T263-Y265 PolarHBondContact O-N 3.46Å; T263-Y265 PolarHBondContact OG1-N 2.92Å; T263-D266 WeakPolarHBondContact CB-OD2 3.3Å; T263-D266 PolarHBondContact N-OD2 2.93Å; T263-D266 PolarHBondContact O-N 3.4Å; T263-D266 PolarHBondContact OG1-N 3.26Å; T263-D266 VanDerWaalsContact OG1-N 3.15Å; T263-D266 PolarHBondContact OG1-OD2 2.78Å; T263-I267 PolarHBondContact O-N 3.1Å; T263-C368 CarbonylContact C-O 3.56Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.35Å; T263-R369 HydrophobicContact CG2-CG 4.22Å
264	I	92.5	Very high	84.9	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-33.3	169.3	-63.2	-66.1	0	0	0	111.1	D266 I267 M268 V286 L289 V291 I302 L344 P365 C368 V370	I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 3.39Å; I264-I267 HydrophobicContact CD1-CD1 4.49Å; I264-I267 PolarHBondContact O-N 3.43Å; I264-M268 HydrophobicContact CG2-CE 3.76Å; I264-M268 HydrophobicContact CG2-CG 4.15Å; I264-M268 HydrophobicContact CG2-SD 3.93Å; I264-M268 WeakPolarHBondContact O-CG 3.35Å; I264-M268 PolarHBondContact O-N 3.48Å; I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.84Å; I264-V286 HydrophobicContact CG2-CG2 4.08Å; I264-L289 HydrophobicContact CD1-CD1 3.97Å; I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.5Å; I264-V291 VanDerWaalsContact CG1-CG1 3.5Å; I264-I302 HydrophobicContact CD1-CD1 3.82Å; I264-I302 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CB-CD1 4.12Å; I264-L344 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD2 3.92Å; I264-P365 HydrophobicContact CB-CB 4.13Å; I264-P365 HydrophobicContact CG2-CB 4.05Å; I264-P365 PolarHBondContact N-O 3.1Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 3.48Å; I264-V370 HydrophobicContact CD1-CG2 3.43Å; I264-V370 VanDerWaalsContact CD1-CG2 3.43Å; I264-V370 HydrophobicContact CG1-CG2 4.29Å
265	Y	92.8	Very high	83.8	Confident	31 Å²	31	54.1 Å²	54.1	12%	0.122	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-43.1	176.5	-179.5	-96.1	0	0	0	112.6	T263 I267 M268 R269 D338 Q341 P365	T263-Y265 PolarHBondContact O-N 3.46Å; T263-Y265 PolarHBondContact OG1-N 2.92Å; Y265-I267 PolarHBondContact O-N 2.93Å; Y265-M268 PolarHBondContact O-N 2.86Å; Y265-R269 HydrophobicContact CE1-CG 4.2Å; Y265-R269 VanDerWaalsContact CE1-NE 3.28Å; Y265-R269 VanDerWaalsContact CZ-NE 3.35Å; Y265-R269 PolarHBondContact O-N 3.46Å; Y265-R269 VanDerWaalsContact OH-CZ 3.3Å; Y265-R269 PolarHBondContact OH-NE 2.9Å; Y265-R269 PolarHBondContact OH-NH2 3.44Å; Y265-D338 HydrophobicContact CE2-CB 3.67Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.18Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.27Å; Y265-D338 PolarHBondContact OH-OD2 3.02Å; Y265-Q341 HydrophobicContact CD2-CB 3.96Å; Y265-Q341 HydrophobicContact CE2-CB 3.93Å; Y265-P365 PolarHBondContact N-O 2.88Å
266	D	90.1	Very high	82.9	Confident	65 Å²	65	56.9 Å²	56.9	35%	0.348	30%	0.296	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.8	-58.4	-55.6	0	0	0	111.6	E262 T263 I264 R269 R270	E262-D266 HydrophobicContact CG-CB 3.52Å; T263-D266 WeakPolarHBondContact CB-OD2 3.3Å; T263-D266 PolarHBondContact N-OD2 2.93Å; T263-D266 PolarHBondContact O-N 3.4Å; T263-D266 PolarHBondContact OG1-N 3.26Å; T263-D266 VanDerWaalsContact OG1-N 3.15Å; T263-D266 PolarHBondContact OG1-OD2 2.78Å; I264-D266 VanDerWaalsContact C-N 3.34Å; I264-D266 PolarHBondContact O-N 3.39Å; D266-R269 PolarHBondContact O-N 3.11Å; D266-R270 WeakPolarHBondContact O-CG 3.43Å; D266-R270 PolarHBondContact O-N 2.99Å
267	I	87.9	Confident	82.3	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-43.1	176.5	-65.6	170.7	0	0	0	110.5	E262 T263 I264 Y265 R269 R270 C271 N285 V286 V370	E262-I267 HydrophobicContact CG-CG1 4.07Å; T263-I267 PolarHBondContact O-N 3.1Å; I264-I267 HydrophobicContact CD1-CD1 4.49Å; I264-I267 PolarHBondContact O-N 3.43Å; Y265-I267 PolarHBondContact O-N 2.93Å; I267-R269 PolarHBondContact O-N 2.93Å; I267-R270 PolarHBondContact O-N 2.97Å; I267-R270 VanDerWaalsContact O-N 3.11Å; I267-C271 PolarHBondContact O-N 2.98Å; I267-C271 PolarHBondContact O-SG 2.9Å; I267-C271 VanDerWaalsContact O-SG 3.36Å; I267-N285 HydrophobicContact CG2-CB 4.44Å; I267-V286 HydrophobicContact CG2-CG2 4.18Å; I267-V370 HydrophobicContact CD1-CG2 3.57Å
268	M	88.7	Confident	82	Confident	10 Å²	10	63 Å²	63	5%	0.049	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-45	176	-74.4	172.7	163.9	0	0	111.9	I264 Y265 R270 C271 S272 H278 V282 V305 P342 L344 P365	I264-M268 HydrophobicContact CG2-CE 3.76Å; I264-M268 HydrophobicContact CG2-CG 4.15Å; I264-M268 HydrophobicContact CG2-SD 3.93Å; I264-M268 WeakPolarHBondContact O-CG 3.35Å; I264-M268 PolarHBondContact O-N 3.48Å; Y265-M268 PolarHBondContact O-N 2.86Å; M268-R270 VanDerWaalsContact C-N 3.31Å; M268-R270 PolarHBondContact O-N 3.33Å; M268-C271 CarbonylContact O-C 3.58Å; M268-C271 PolarHBondContact O-N 3.05Å; M268-C271 VanDerWaalsContact O-N 3.11Å; M268-S272 PolarHBondContact O-N 3Å; M268-H278 PolarHBondContact O-CE1 3.46Å; M268-V282 HydrophobicContact CB-CG2 4.39Å; M268-V282 HydrophobicContact CE-CG1 3.77Å; M268-V282 HydrophobicContact CG-CG1 3.89Å; M268-V282 HydrophobicContact CG-CG2 4.17Å; M268-V305 HydrophobicContact CE-CG1 3.67Å; M268-V305 HydrophobicContact CE-CG2 4.26Å; M268-P342 HydrophobicContact CE-CG 3.82Å; M268-P342 HydrophobicContact SD-CG 3.71Å; M268-L344 HydrophobicContact CE-CD2 3.56Å; M268-P365 HydrophobicContact CE-CG 4.08Å; M268-P365 HydrophobicContact SD-CB 3.78Å; M268-P365 HydrophobicContact SD-CG 3.73Å
269	R	86.6	Confident	81.8	Confident	158 Å²	158	66.1 Å²	66.1	60%	0.596	33%	0.331	S	S	*	.	H	α-helix	trans	-60.3	-36.4	172.4	-80.8	-168.4	173.1	-142.4	2.7	112.7	Y265 D266 I267 C271 S272	Y265-R269 HydrophobicContact CE1-CG 4.2Å; Y265-R269 VanDerWaalsContact CE1-NE 3.28Å; Y265-R269 VanDerWaalsContact CZ-NE 3.35Å; Y265-R269 PolarHBondContact O-N 3.46Å; Y265-R269 VanDerWaalsContact OH-CZ 3.3Å; Y265-R269 PolarHBondContact OH-NE 2.9Å; Y265-R269 PolarHBondContact OH-NH2 3.44Å; D266-R269 PolarHBondContact O-N 3.11Å; I267-R269 PolarHBondContact O-N 2.93Å; R269-C271 VanDerWaalsContact C-N 3.29Å; R269-C271 PolarHBondContact O-N 3.36Å; R269-S272 PolarHBondContact O-N 3.37Å; R269-S272 PolarHBondContact O-OG 2.95Å
270	R	82.9	Confident	81.7	Confident	150 Å²	150	70.8 Å²	70.8	57%	0.566	36%	0.356	S	S	*	.	H	α-helix	trans	-68.8	-28.2	175.3	-67	-166.2	-64.8	121.4	-7.4	112.6	E262 D266 I267 M268 S272 H273	E262-R270 IonicContact OE1-CZ 2.93Å; E262-R270 IonicContact OE1-NE 3.22Å; E262-R270 PolarHBondContact OE1-NE 2.92Å; E262-R270 IonicContact OE1-NH2 3.36Å; E262-R270 PolarHBondContact OE1-NH2 3.17Å; E262-R270 IonicContact OE2-CZ 2.74Å; E262-R270 IonicContact OE2-NH2 3.66Å; E262-R270 PolarHBondContact OE2-NH2 3.04Å; D266-R270 WeakPolarHBondContact O-CG 3.43Å; D266-R270 PolarHBondContact O-N 2.99Å; I267-R270 PolarHBondContact O-N 2.97Å; I267-R270 VanDerWaalsContact O-N 3.11Å; M268-R270 VanDerWaalsContact C-N 3.31Å; M268-R270 PolarHBondContact O-N 3.33Å; R270-S272 VanDerWaalsContact C-N 3.33Å; R270-S272 PolarHBondContact O-N 3.23Å; R270-H273 PolarHBondContact O-CE1 3.28Å; R270-H273 PolarHBondContact O-ND1 3.48Å
271	C	78.6	Confident	81.5	Confident	12 Å²	12	73.1 Å²	73.1	8%	0.081	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	6.4	173.8	-62.2	0	0	0	0	114.7	I267 M268 R269 H278 E281 V282	I267-C271 PolarHBondContact O-N 2.98Å; I267-C271 PolarHBondContact O-SG 2.9Å; I267-C271 VanDerWaalsContact O-SG 3.36Å; M268-C271 CarbonylContact O-C 3.58Å; M268-C271 PolarHBondContact O-N 3.05Å; M268-C271 VanDerWaalsContact O-N 3.11Å; R269-C271 VanDerWaalsContact C-N 3.29Å; R269-C271 PolarHBondContact O-N 3.36Å; C271-H278 PolarHBondContact O-ND1 2.82Å; C271-E281 HydrophobicContact CB-CB 4.43Å; C271-V282 HydrophobicContact CB-CG2 3.64Å
272	S	67.7	Low	81.6	Confident	61 Å²	61	69.9 Å²	69.9	43%	0.427	35%	0.348	S	S	.	.			trans	-95.7	17.2	-176.9	78.4	0	0	0	0	115.2	M268 R269 R270 N274 H278	M268-S272 PolarHBondContact O-N 3Å; R269-S272 PolarHBondContact O-N 3.37Å; R269-S272 PolarHBondContact O-OG 2.95Å; R270-S272 VanDerWaalsContact C-N 3.33Å; R270-S272 PolarHBondContact O-N 3.23Å; S272-N274 VanDerWaalsContact C-N 3.34Å; S272-H278 WeakPolarHBondContact CA-ND1 3.15Å
273	H	67.4	Low	81.5	Confident	165 Å²	165	71.3 Å²	71.3	76%	0.764	35%	0.352	S	S	*	.	S	Bend	trans	-76.4	-17.1	-179	-70.7	88.8	0	0	0	114.1	R270	R270-H273 PolarHBondContact O-CE1 3.28Å; R270-H273 PolarHBondContact O-ND1 3.48Å
274	N	70.6	Confident	81.1	Confident	63 Å²	63	76.2 Å²	76.2	34%	0.337	38%	0.381	S	S	.	.			trans	-128.5	99.7	176.8	-176.5	-5.7	0	0	0	110.8	S272 A276 R277 H278	S272-N274 VanDerWaalsContact C-N 3.34Å; N274-A276 PolarHBondContact O-N 3.07Å; N274-A276 PolarHBondContact OD1-N 3.25Å; N274-R277 PolarHBondContact O-N 3.46Å; N274-R277 VanDerWaalsContact O-N 3.13Å; N274-H278 PolarHBondContact O-N 3.42Å
275	P	67.9	Low	80.6	Confident	119 Å²	119	80.3 Å²	80.3	77%	0.773	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-36.1	-177.4	-27.9	35.6	0	0	0	114	R277	P275-R277 VanDerWaalsContact C-N 3.27Å; P275-R277 PolarHBondContact O-N 3.04Å
276	A	71.9	Confident	80.4	Confident	92 Å²	92	78.8 Å²	78.8	76%	0.76	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.5	-176.2	0	0	0	0	0	114.4	N274	N274-A276 PolarHBondContact O-N 3.07Å; N274-A276 PolarHBondContact OD1-N 3.25Å
277	R	76.7	Confident	80.2	Confident	164 Å²	164	78.4 Å²	78.4	62%	0.619	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	2.7	177.8	-70.1	-171.1	174.5	179.5	-1.1	114.3	N274 P275 Q279 D280 E281	N274-R277 PolarHBondContact O-N 3.46Å; N274-R277 VanDerWaalsContact O-N 3.13Å; P275-R277 VanDerWaalsContact C-N 3.27Å; P275-R277 PolarHBondContact O-N 3.04Å; R277-Q279 PolarHBondContact O-N 3.09Å; R277-D280 PolarHBondContact O-N 3.08Å; R277-E281 HydrophobicContact CB-CG 4.26Å; R277-E281 WeakPolarHBondContact CB-OE1 3.27Å; R277-E281 PolarHBondContact O-N 3.32Å
278	H	79.9	Confident	79.9	Confident	53 Å²	53	80.8 Å²	80.8	25%	0.245	41%	0.408	C	S	.	.	H	α-helix	trans	-50.6	-48.5	-171.8	176.2	48.1	0	0	0	113.7	M268 C271 S272 N274 D280 E281 V282	M268-H278 PolarHBondContact O-CE1 3.46Å; C271-H278 PolarHBondContact O-ND1 2.82Å; S272-H278 WeakPolarHBondContact CA-ND1 3.15Å; N274-H278 PolarHBondContact O-N 3.42Å; H278-D280 VanDerWaalsContact C-N 3.33Å; H278-D280 PolarHBondContact O-N 3.07Å; H278-E281 PolarHBondContact O-N 3.16Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.47Å; H278-V282 WeakPolarHBondContact O-CB 3.37Å; H278-V282 VanDerWaalsContact O-CG2 3.27Å; H278-V282 WeakPolarHBondContact O-CG2 3.34Å; H278-V282 PolarHBondContact O-N 3.49Å
279	Q	83.2	Confident	79.8	Confident	91 Å²	91	82.2 Å²	82.2	43%	0.425	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-38	-179	-62.3	-165.1	10	0	0	112.9	R277 R283 F307	R277-Q279 PolarHBondContact O-N 3.09Å; Q279-R283 WeakPolarHBondContact O-CB 3.45Å; Q279-R283 VanDerWaalsContact O-CG 3.3Å; Q279-R283 WeakPolarHBondContact O-CG 3.3Å; Q279-R283 PolarHBondContact O-N 3.22Å; Q279-F307 HydrophobicContact CB-CD2 4.46Å; Q279-F307 HydrophobicContact CB-CE1 4.22Å; Q279-F307 HydrophobicContact CB-CE2 3.98Å; Q279-F307 HydrophobicContact CB-CZ 3.83Å; Q279-F307 HydrophobicContact CG-CD1 3.9Å; Q279-F307 HydrophobicContact CG-CD2 4.18Å; Q279-F307 HydrophobicContact CG-CE1 3.84Å; Q279-F307 HydrophobicContact CG-CE2 4.12Å; Q279-F307 HydrophobicContact CG-CG 4.07Å; Q279-F307 HydrophobicContact CG-CZ 3.94Å
280	D	81.8	Confident	79.8	Confident	99 Å²	99	78.4 Å²	78.4	53%	0.529	41%	0.406	S	S	.	.	H	α-helix	trans	-76	-40	-178.4	-67.1	-23.8	0	0	0	111.2	R277 H278 V282 R283 V284	R277-D280 PolarHBondContact O-N 3.08Å; H278-D280 VanDerWaalsContact C-N 3.33Å; H278-D280 PolarHBondContact O-N 3.07Å; D280-V282 VanDerWaalsContact C-N 3.34Å; D280-V282 PolarHBondContact O-N 3.46Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-NH1 2.96Å; D280-V284 WeakPolarHBondContact O-CB 3.33Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.41Å; D280-V284 PolarHBondContact O-N 2.97Å
281	E	82.5	Confident	80.1	Confident	67 Å²	67	71.2 Å²	71.2	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-62.4	-41	172.2	-71.6	-179.6	-154.2	0	0	111.3	C271 R277 H278 N285	C271-E281 HydrophobicContact CB-CB 4.43Å; R277-E281 HydrophobicContact CB-CG 4.26Å; R277-E281 WeakPolarHBondContact CB-OE1 3.27Å; R277-E281 PolarHBondContact O-N 3.32Å; H278-E281 PolarHBondContact O-N 3.16Å; E281-N285 WeakPolarHBondContact O-CB 3.46Å; E281-N285 PolarHBondContact O-N 2.9Å; E281-N285 VanDerWaalsContact O-N 3.1Å; E281-N285 PolarHBondContact O-ND2 3.15Å
282	V	85.4	Confident	80.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-51.1	171.1	165.6	0	0	0	0	110.9	M268 C271 H278 D280 V284 N285 V286 V305 F307	M268-V282 HydrophobicContact CB-CG2 4.39Å; M268-V282 HydrophobicContact CE-CG1 3.77Å; M268-V282 HydrophobicContact CG-CG1 3.89Å; M268-V282 HydrophobicContact CG-CG2 4.17Å; C271-V282 HydrophobicContact CB-CG2 3.64Å; H278-V282 WeakPolarHBondContact CE1-CG2 3.47Å; H278-V282 WeakPolarHBondContact O-CB 3.37Å; H278-V282 VanDerWaalsContact O-CG2 3.27Å; H278-V282 WeakPolarHBondContact O-CG2 3.34Å; H278-V282 PolarHBondContact O-N 3.49Å; D280-V282 VanDerWaalsContact C-N 3.34Å; D280-V282 PolarHBondContact O-N 3.46Å; V282-V284 PolarHBondContact O-N 3.49Å; V282-N285 PolarHBondContact O-N 2.99Å; V282-V286 HydrophobicContact CG1-CG2 4.15Å; V282-V286 WeakPolarHBondContact O-CB 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.36Å; V282-V286 PolarHBondContact O-N 3.23Å; V282-V305 HydrophobicContact CG1-CG1 4.45Å; V282-F307 HydrophobicContact CB-CZ 4.09Å; V282-F307 HydrophobicContact CG1-CE1 4.36Å; V282-F307 HydrophobicContact CG1-CZ 3.77Å
283	R	85.4	Confident	81.6	Confident	66 Å²	66	67.8 Å²	67.8	25%	0.249	36%	0.355	C	S	.	.	H	α-helix	trans	-58	-45.5	178.7	-77.5	175.2	179.8	113.5	7.7	111.7	Q279 D280 N285 V286 L287 V305 F307	Q279-R283 WeakPolarHBondContact O-CB 3.45Å; Q279-R283 VanDerWaalsContact O-CG 3.3Å; Q279-R283 WeakPolarHBondContact O-CG 3.3Å; Q279-R283 PolarHBondContact O-N 3.22Å; D280-R283 PolarHBondContact O-N 3.45Å; D280-R283 IonicContact OD1-NH1 2.96Å; R283-N285 VanDerWaalsContact C-N 3.31Å; R283-N285 PolarHBondContact O-N 3.06Å; R283-V286 PolarHBondContact O-N 2.87Å; R283-L287 HydrophobicContact CB-CD1 3.85Å; R283-L287 HydrophobicContact CB-CG 4.21Å; R283-L287 HydrophobicContact CG-CD1 4.18Å; R283-L287 VanDerWaalsContact O-CB 3.26Å; R283-L287 WeakPolarHBondContact O-CB 3.13Å; R283-L287 WeakPolarHBondContact O-CG 3.4Å; R283-L287 PolarHBondContact O-N 2.76Å; R283-V305 PolarHBondContact NH2-O 3.41Å; R283-F307 HydrophobicContact CG-CE2 4.43Å; R283-F307 VanDerWaalsContact NH2-CD2 3.3Å
284	V	81.9	Confident	82.2	Confident	123 Å²	123	63.1 Å²	63.1	75%	0.745	34%	0.336	S	S	*	.	H	α-helix	trans	-61.3	-36.6	178.4	167.8	0	0	0	0	112.5	D280 V282	D280-V284 WeakPolarHBondContact O-CB 3.33Å; D280-V284 VanDerWaalsContact O-CG2 3.27Å; D280-V284 WeakPolarHBondContact O-CG2 3.41Å; D280-V284 PolarHBondContact O-N 2.97Å; V282-V284 PolarHBondContact O-N 3.49Å
285	N	82.9	Confident	82.8	Confident	86 Å²	86	62 Å²	62	46%	0.46	33%	0.327	S	S	.	.	H	α-helix	trans	-85.7	-28.3	-179.3	-77.8	-79	0	0	0	114.3	I267 E281 V282 R283 L289	I267-N285 HydrophobicContact CG2-CB 4.44Å; E281-N285 WeakPolarHBondContact O-CB 3.46Å; E281-N285 PolarHBondContact O-N 2.9Å; E281-N285 VanDerWaalsContact O-N 3.1Å; E281-N285 PolarHBondContact O-ND2 3.15Å; V282-N285 PolarHBondContact O-N 2.99Å; R283-N285 VanDerWaalsContact C-N 3.31Å; R283-N285 PolarHBondContact O-N 3.06Å; N285-L289 WeakPolarHBondContact O-CD1 3.35Å
286	V	87.8	Confident	83.5	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-103.3	-31.5	-169	173.4	0	0	0	0	113.4	I264 I267 V282 R283 L289 I302 V305 L344	I264-V286 HydrophobicContact CD1-CG1 4.23Å; I264-V286 HydrophobicContact CG2-CG1 3.84Å; I264-V286 HydrophobicContact CG2-CG2 4.08Å; I267-V286 HydrophobicContact CG2-CG2 4.18Å; V282-V286 HydrophobicContact CG1-CG2 4.15Å; V282-V286 WeakPolarHBondContact O-CB 3.29Å; V282-V286 WeakPolarHBondContact O-CG2 3.36Å; V282-V286 PolarHBondContact O-N 3.23Å; R283-V286 PolarHBondContact O-N 2.87Å; V286-L289 WeakPolarHBondContact O-CB 3.23Å; V286-L289 WeakPolarHBondContact O-CG 3.48Å; V286-L289 PolarHBondContact O-N 2.96Å; V286-I302 HydrophobicContact CG1-CD1 3.46Å; V286-I302 VanDerWaalsContact CG1-CD1 3.46Å; V286-I302 HydrophobicContact CG1-CG2 4.17Å; V286-V305 HydrophobicContact CG1-CG2 3.98Å; V286-L344 HydrophobicContact CG1-CD2 4.15Å
287	L	86.9	Confident	83.8	Confident	57 Å²	57	54.9 Å²	54.9	30%	0.298	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	148.4	-178.3	-63.3	179.9	0	0	0	112.3	R283 L289 I302 D304 V305	R283-L287 HydrophobicContact CB-CD1 3.85Å; R283-L287 HydrophobicContact CB-CG 4.21Å; R283-L287 HydrophobicContact CG-CD1 4.18Å; R283-L287 VanDerWaalsContact O-CB 3.26Å; R283-L287 WeakPolarHBondContact O-CB 3.13Å; R283-L287 WeakPolarHBondContact O-CG 3.4Å; R283-L287 PolarHBondContact O-N 2.76Å; L287-L289 PolarHBondContact O-N 2.88Å; L287-L289 VanDerWaalsContact O-N 3.09Å; L287-I302 HydrophobicContact CD2-CG2 4.12Å; L287-D304 VanDerWaalsContact CD2-CA 3.47Å; L287-V305 HydrophobicContact CD2-CG2 4.21Å
288	D	81.6	Confident	84.1	Confident	61 Å²	61	54.7 Å²	54.7	33%	0.326	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-1.3	-171.8	-83.9	-14.4	0	0	0	116.2	R301 I302 R622	D288-R301 IonicContact OD1-CZ 2.67Å; D288-R301 IonicContact OD1-NE 2.67Å; D288-R301 PolarHBondContact OD1-NE 3.4Å; D288-R301 IonicContact OD1-NH2 3.92Å; D288-R301 PolarHBondContact OD1-NH2 3.21Å; D288-R301 IonicContact OD2-NH2 3.61Å; D288-R301 PolarHBondContact OD2-NH2 2.92Å; D288-R301 VanDerWaalsContact OD2-NH2 3.14Å; D288-I302 PolarHBondContact N-O 3.25Å; D288-R622 IonicContact OD2-NH1 3.9Å; D288-R622 PolarHBondContact OD2-NH1 2.93Å
289	L	85.8	Confident	84.3	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.209	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-64	144.5	168.4	-65.5	-172.8	0	0	0	110.9	I264 N285 V286 L287 R301 I302 V370	I264-L289 HydrophobicContact CD1-CD1 3.97Å; N285-L289 WeakPolarHBondContact O-CD1 3.35Å; V286-L289 WeakPolarHBondContact O-CB 3.23Å; V286-L289 WeakPolarHBondContact O-CG 3.48Å; V286-L289 PolarHBondContact O-N 2.96Å; L287-L289 PolarHBondContact O-N 2.88Å; L287-L289 VanDerWaalsContact O-N 3.09Å; L289-R301 WeakPolarHBondContact O-CA 3.21Å; L289-I302 PolarHBondContact O-N 3.01Å; L289-V370 HydrophobicContact CD1-CG1 4.13Å; L289-V370 HydrophobicContact CD1-CG2 4.04Å
290	I	86.5	Confident	84.4	Confident	77 Å²	77	51.8 Å²	51.8	40%	0.395	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.6	168.2	-59.7	175.2	0	0	0	107.7	T299 Y300 R301 T371	I290-T299 HydrophobicContact CG2-CG2 4.24Å; I290-Y300 CarbonylContact C-O 3.29Å; I290-Y300 VanDerWaalsContact CA-O 3.32Å; I290-Y300 WeakPolarHBondContact CA-O 3.36Å; I290-R301 HydrophobicContact CG1-CB 4.4Å; I290-T371 HydrophobicContact CG2-CG2 4.41Å; I290-T371 WeakPolarHBondContact O-CB 3.17Å; I290-T371 WeakPolarHBondContact O-CG2 3.39Å; I290-T371 PolarHBondContact O-N 3.47Å; I290-T371 PolarHBondContact O-OG1 3.03Å
291	V	89.7	Confident	84.7	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	156	174.6	-68.3	0	0	0	0	111.2	I264 T299 Y300 I302 L363 C368 R369	I264-V291 HydrophobicContact CD1-CG1 3.63Å; I264-V291 HydrophobicContact CG1-CG1 3.5Å; I264-V291 VanDerWaalsContact CG1-CG1 3.5Å; V291-T299 CarbonylContact O-C 3.55Å; V291-T299 WeakPolarHBondContact O-CA 3.27Å; V291-T299 WeakPolarHBondContact O-CB 3.36Å; V291-Y300 PolarHBondContact N-O 3.29Å; V291-Y300 PolarHBondContact O-N 2.93Å; V291-I302 HydrophobicContact CG1-CD1 3.8Å; V291-I302 HydrophobicContact CG1-CG1 4.37Å; V291-I302 HydrophobicContact CG2-CD1 4.5Å; V291-I302 HydrophobicContact CG2-CG1 4.27Å; V291-L363 HydrophobicContact CG2-CD1 4.38Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.09Å; V291-C368 HydrophobicContact CG2-CB 4.15Å; V291-R369 CarbonylContact C-O 3.58Å; V291-R369 WeakPolarHBondContact CA-O 3.17Å
292	L	88.1	Confident	85.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.9	163.5	-170.6	80.2	0	0	0	108.7	W234 M259 N297 R298 T299 C368 R369 T371	W234-L292 HydrophobicContact CH2-CD2 3.42Å; W234-L292 VanDerWaalsContact CH2-CD2 3.42Å; W234-L292 HydrophobicContact CZ2-CD2 4.01Å; W234-L292 HydrophobicContact CZ3-CD2 3.95Å; M259-L292 HydrophobicContact CE-CB 3.5Å; M259-L292 VanDerWaalsContact CE-CB 3.5Å; M259-L292 HydrophobicContact CE-CD2 3.63Å; M259-L292 HydrophobicContact CE-CG 4.18Å; M259-L292 HydrophobicContact SD-CB 4.44Å; M259-L292 HydrophobicContact SD-CD2 4.22Å; L292-N297 WeakPolarHBondContact CD1-O 3.41Å; L292-R298 WeakPolarHBondContact CA-O 3.5Å; L292-T299 HydrophobicContact CB-CG2 4.42Å; L292-T299 HydrophobicContact CD1-CG2 3.58Å; L292-C368 WeakPolarHBondContact O-CA 3.17Å; L292-R369 PolarHBondContact N-O 3.31Å; L292-R369 PolarHBondContact O-N 3.38Å; L292-T371 HydrophobicContact CB-CG2 4.05Å
293	T	89.3	Confident	85.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.7	168.7	44.3	0	0	0	0	110.7	Y295 N296 N297 R298 Y300 L363	T293-Y295 VanDerWaalsContact CB-CE1 3.43Å; T293-Y295 HydrophobicContact CG2-CE1 3.66Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.44Å; T293-Y295 PolarHBondContact O-N 3.46Å; T293-Y295 VanDerWaalsContact O-N 3.07Å; T293-N296 PolarHBondContact O-N 2.76Å; T293-N296 VanDerWaalsContact O-N 3.08Å; T293-N296 PolarHBondContact O-OD1 3.41Å; T293-N296 VanDerWaalsContact O-OD1 3.13Å; T293-N296 PolarHBondContact OG1-OD1 3.14Å; T293-N297 PolarHBondContact O-N 3.18Å; T293-R298 PolarHBondContact N-O 3.2Å; T293-R298 PolarHBondContact OG1-O 3.31Å; T293-Y300 HydrophobicContact CG2-CD2 4.25Å; T293-Y300 HydrophobicContact CG2-CE2 4.28Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.18Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å
294	D	79.6	Confident	85.5	Confident	68 Å²	68	52.2 Å²	52.2	36%	0.364	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.9	-169.8	-70.4	15	0	0	0	113.7	N296 R369	D294-N296 PolarHBondContact O-N 2.99Å; D294-R369 WeakPolarHBondContact OD1-CD 3.23Å; D294-R369 WeakPolarHBondContact OD2-CD 3.49Å; D294-R369 IonicContact OD2-CZ 2.84Å; D294-R369 IonicContact OD2-NE 2.7Å; D294-R369 IonicContact OD2-NH1 3.2Å; D294-R369 PolarHBondContact OD2-NH1 3.28Å
295	Y	84.3	Confident	85.9	Confident	38 Å²	38	46.4 Å²	46.4	15%	0.149	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-7.9	179.4	61.8	-101.5	0	0	0	114.9	T293 Y328 Y332 I334 L367	T293-Y295 VanDerWaalsContact CB-CE1 3.43Å; T293-Y295 HydrophobicContact CG2-CE1 3.66Å; T293-Y295 WeakPolarHBondContact CG2-OH 3.44Å; T293-Y295 PolarHBondContact O-N 3.46Å; T293-Y295 VanDerWaalsContact O-N 3.07Å; Y295-Y328 HydrophobicContact CD1-CE1 4.36Å; Y295-Y328 HydrophobicContact CD2-CE1 4.49Å; Y295-Y328 HydrophobicContact CE1-CD1 4.35Å; Y295-Y328 AromaticContact CE1-CE1 3.69Å; Y295-Y328 HydrophobicContact CE1-CE1 3.69Å; Y295-Y328 AromaticContact CE2-CE1 3.86Å; Y295-Y328 HydrophobicContact CE2-CE1 3.86Å; Y295-Y328 AromaticContact CZ-CE1 3.44Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.44Å; Y295-Y328 PolarHBondContact OH-OH 3.48Å; Y295-Y332 AromaticContact CD2-CD1 3.82Å; Y295-Y332 HydrophobicContact CD2-CD1 3.82Å; Y295-Y332 AromaticContact CD2-CD2 3.92Å; Y295-Y332 HydrophobicContact CD2-CD2 3.92Å; Y295-Y332 AromaticContact CD2-CE1 3.62Å; Y295-Y332 HydrophobicContact CD2-CE1 3.62Å; Y295-Y332 AromaticContact CD2-CE2 3.7Å; Y295-Y332 HydrophobicContact CD2-CE2 3.7Å; Y295-Y332 AromaticContact CD2-CG 3.96Å; Y295-Y332 HydrophobicContact CD2-CG 3.96Å; Y295-Y332 AromaticContact CD2-CZ 3.53Å; Y295-Y332 HydrophobicContact CE2-CD2 4.37Å; Y295-Y332 HydrophobicContact CE2-CE1 4.23Å; Y295-Y332 AromaticContact CE2-CE2 3.78Å; Y295-Y332 HydrophobicContact CE2-CE2 3.78Å; Y295-Y332 AromaticContact CE2-CZ 3.69Å; Y295-Y332 HydrophobicContact CG-CD1 4.41Å; Y295-Y332 HydrophobicContact CG-CD2 4.44Å; Y295-Y332 HydrophobicContact CG-CG 4.32Å; Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.44Å; Y295-I334 HydrophobicContact CG-CD1 4.27Å; Y295-L367 HydrophobicContact CD1-CB 4.15Å; Y295-L367 HydrophobicContact CD1-CD1 4.34Å; Y295-L367 HydrophobicContact CE1-CB 3.92Å; Y295-L367 HydrophobicContact CE1-CD1 4.25Å
296	N	83.3	Confident	86.4	Confident	33 Å²	33	44.2 Å²	44.2	18%	0.176	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-152.5	6.6	177	70.3	11.9	0	0	0	115	T293 D294 R298 Y332	T293-N296 PolarHBondContact O-N 2.76Å; T293-N296 VanDerWaalsContact O-N 3.08Å; T293-N296 PolarHBondContact O-OD1 3.41Å; T293-N296 VanDerWaalsContact O-OD1 3.13Å; T293-N296 PolarHBondContact OG1-OD1 3.14Å; D294-N296 PolarHBondContact O-N 2.99Å; N296-R298 HydrophobicContact CB-CG 4.47Å; N296-R298 PolarHBondContact O-N 2.77Å; N296-R298 VanDerWaalsContact OD1-CB 3.29Å; N296-R298 WeakPolarHBondContact OD1-CB 3.38Å; N296-R298 WeakPolarHBondContact OD1-CG 3.34Å; N296-R298 PolarHBondContact OD1-N 3.08Å; N296-Y332 HydrophobicContact CB-CE1 4.5Å
297	N	77.3	Confident	86.5	Confident	30 Å²	30	46.7 Å²	46.7	16%	0.16	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	23.8	-179	-62.5	-46.7	0	0	0	115.9	E211 W234 L292 T293	E211-N297 HydrophobicContact CB-CB 4.29Å; E211-N297 VanDerWaalsContact CD-CB 3.49Å; E211-N297 HydrophobicContact CG-CB 3.84Å; E211-N297 PolarHBondContact OE1-ND2 2.89Å; W234-N297 WeakPolarHBondContact CH2-OD1 3.23Å; L292-N297 WeakPolarHBondContact CD1-O 3.41Å; T293-N297 PolarHBondContact O-N 3.18Å
298	R	82.3	Confident	86.8	Confident	159 Å²	159	47.4 Å²	47.4	60%	0.6	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	144.3	176.6	-63.2	-176.2	-179.2	-162.6	-2.9	111.9	L292 T293 N296 Y300	L292-R298 WeakPolarHBondContact CA-O 3.5Å; T293-R298 PolarHBondContact N-O 3.2Å; T293-R298 PolarHBondContact OG1-O 3.31Å; N296-R298 HydrophobicContact CB-CG 4.47Å; N296-R298 PolarHBondContact O-N 2.77Å; N296-R298 VanDerWaalsContact OD1-CB 3.29Å; N296-R298 WeakPolarHBondContact OD1-CB 3.38Å; N296-R298 WeakPolarHBondContact OD1-CG 3.34Å; N296-R298 PolarHBondContact OD1-N 3.08Å; R298-Y300 HydrophobicContact CB-CD2 4.44Å; R298-Y300 HydrophobicContact CB-CE2 3.63Å
299	T	83.8	Confident	87.4	Confident	45 Å²	45	47.5 Å²	47.5	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.3	173.1	53.1	0	0	0	0	112.9	V213 I290 V291 L292 T371	V213-T299 HydrophobicContact CG1-CG2 3.64Å; I290-T299 HydrophobicContact CG2-CG2 4.24Å; V291-T299 CarbonylContact O-C 3.55Å; V291-T299 WeakPolarHBondContact O-CA 3.27Å; V291-T299 WeakPolarHBondContact O-CB 3.36Å; L292-T299 HydrophobicContact CB-CG2 4.42Å; L292-T299 HydrophobicContact CD1-CG2 3.58Å; T299-T371 HydrophobicContact CG2-CG2 4.21Å
300	Y	86.9	Confident	87.8	Confident	39 Å²	39	47.5 Å²	47.5	15%	0.153	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.5	179	-61.3	-87	0	0	0	110	I290 V291 T293 R298 V361 L363	I290-Y300 CarbonylContact C-O 3.29Å; I290-Y300 VanDerWaalsContact CA-O 3.32Å; I290-Y300 WeakPolarHBondContact CA-O 3.36Å; V291-Y300 PolarHBondContact N-O 3.29Å; V291-Y300 PolarHBondContact O-N 2.93Å; T293-Y300 HydrophobicContact CG2-CD2 4.25Å; T293-Y300 HydrophobicContact CG2-CE2 4.28Å; T293-Y300 WeakPolarHBondContact OG1-CE2 3.18Å; R298-Y300 HydrophobicContact CB-CD2 4.44Å; R298-Y300 HydrophobicContact CB-CE2 3.63Å; Y300-V361 HydrophobicContact CD1-CB 4.45Å; Y300-V361 HydrophobicContact CD1-CG1 4.2Å; Y300-V361 HydrophobicContact CE1-CB 4.28Å; Y300-V361 HydrophobicContact CE1-CG1 3.77Å; Y300-V361 HydrophobicContact CE1-CG2 4.2Å; Y300-L363 HydrophobicContact CD1-CD1 4.29Å; Y300-L363 HydrophobicContact CD2-CD1 3.68Å; Y300-L363 HydrophobicContact CD2-CD2 4.21Å; Y300-L363 HydrophobicContact CE2-CD1 4.43Å; Y300-L363 HydrophobicContact CE2-CD2 4.13Å; Y300-L363 HydrophobicContact CG-CD1 3.6Å
301	R	87.9	Confident	88.3	Confident	128 Å²	128	43.8 Å²	43.8	48%	0.483	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.6	171.9	178.1	176.4	174.6	170.2	-1.6	108.3	D288 L289 I290 N303 S346	D288-R301 IonicContact OD1-CZ 2.67Å; D288-R301 IonicContact OD1-NE 2.67Å; D288-R301 PolarHBondContact OD1-NE 3.4Å; D288-R301 IonicContact OD1-NH2 3.92Å; D288-R301 PolarHBondContact OD1-NH2 3.21Å; D288-R301 IonicContact OD2-NH2 3.61Å; D288-R301 PolarHBondContact OD2-NH2 2.92Å; D288-R301 VanDerWaalsContact OD2-NH2 3.14Å; L289-R301 WeakPolarHBondContact O-CA 3.21Å; I290-R301 HydrophobicContact CG1-CB 4.4Å; R301-N303 PolarHBondContact O-N 2.91Å; R301-N303 PolarHBondContact O-OD1 2.85Å; R301-S346 WeakPolarHBondContact O-CB 3.39Å
302	I	90.1	Very high	88.6	Confident	2 Å²	2	50 Å²	50	1%	0.01	25%	0.25	C	S	.	.			trans	-74.7	122.6	178.5	-51.4	172.3	0	0	0	108.3	I264 V286 L287 D288 L289 V291 D304 V305 L344	I264-I302 HydrophobicContact CD1-CD1 3.82Å; I264-I302 HydrophobicContact CG1-CD1 4.02Å; V286-I302 HydrophobicContact CG1-CD1 3.46Å; V286-I302 VanDerWaalsContact CG1-CD1 3.46Å; V286-I302 HydrophobicContact CG1-CG2 4.17Å; L287-I302 HydrophobicContact CD2-CG2 4.12Å; D288-I302 PolarHBondContact N-O 3.25Å; L289-I302 PolarHBondContact O-N 3.01Å; V291-I302 HydrophobicContact CG1-CD1 3.8Å; V291-I302 HydrophobicContact CG1-CG1 4.37Å; V291-I302 HydrophobicContact CG2-CD1 4.5Å; V291-I302 HydrophobicContact CG2-CG1 4.27Å; I302-D304 VanDerWaalsContact CG2-O 3.31Å; I302-D304 WeakPolarHBondContact CG2-O 3.29Å; I302-V305 HydrophobicContact CG2-CG2 4.33Å; I302-L344 HydrophobicContact CD1-CD1 3.83Å; I302-L344 HydrophobicContact CD1-CD2 4.24Å; I302-L344 HydrophobicContact CD1-CG 4.49Å; I302-L344 HydrophobicContact CG1-CD1 4.39Å; I302-L344 HydrophobicContact CG2-CB 4.4Å; I302-L344 HydrophobicContact CG2-CD2 4.39Å
303	N	88.5	Confident	88.9	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.262	26%	0.26	S	S	.	.			trans	-108.9	-24.7	179.1	-63.1	126.3	0	0	0	113	R301 I345 K347	R301-N303 PolarHBondContact O-N 2.91Å; R301-N303 PolarHBondContact O-OD1 2.85Å; N303-I345 PolarHBondContact N-O 2.87Å; N303-K347 PolarHBondContact OD1-N 3.26Å; N303-K347 PolarHBondContact OD1-O 2.93Å
304	D	90.3	Very high	89.1	Confident	61 Å²	61	55.6 Å²	55.6	33%	0.326	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	167.2	170.9	-138.8	-33.7	0	0	0	111.3	L287 I302 I345	L287-D304 VanDerWaalsContact CD2-CA 3.47Å; I302-D304 VanDerWaalsContact CG2-O 3.31Å; I302-D304 WeakPolarHBondContact CG2-O 3.29Å; D304-I345 HydrophobicContact CB-CB 3.94Å; D304-I345 HydrophobicContact CB-CD1 4.41Å; D304-I345 HydrophobicContact CB-CG2 4.33Å; D304-I345 PolarHBondContact N-O 3.23Å; D304-I345 VanDerWaalsContact N-O 3.15Å; D304-I345 PolarHBondContact O-N 3.33Å
305	V	92.1	Very high	89.6	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.7	168.7	-177.6	0	0	0	0	108.4	M268 V282 R283 V286 L287 I302 F307 P342 L344	M268-V305 HydrophobicContact CE-CG1 3.67Å; M268-V305 HydrophobicContact CE-CG2 4.26Å; V282-V305 HydrophobicContact CG1-CG1 4.45Å; R283-V305 PolarHBondContact NH2-O 3.41Å; V286-V305 HydrophobicContact CG1-CG2 3.98Å; L287-V305 HydrophobicContact CD2-CG2 4.21Å; I302-V305 HydrophobicContact CG2-CG2 4.33Å; V305-F307 HydrophobicContact CB-CD2 4.45Å; V305-F307 HydrophobicContact CB-CE2 3.78Å; V305-F307 HydrophobicContact CB-CZ 4.24Å; V305-F307 HydrophobicContact CG1-CD2 4.02Å; V305-F307 HydrophobicContact CG1-CE1 4.25Å; V305-F307 HydrophobicContact CG1-CE2 3.51Å; V305-F307 HydrophobicContact CG1-CZ 3.65Å; V305-F307 WeakPolarHBondContact O-CD2 3.16Å; V305-P342 HydrophobicContact CG1-CB 4.02Å; V305-P342 HydrophobicContact CG1-CG 4.21Å; V305-L344 HydrophobicContact CG1-CD2 4.46Å; V305-L344 HydrophobicContact CG2-CD2 4.02Å
306	D	92.8	Very high	89.7	Confident	40 Å²	40	57 Å²	57	21%	0.214	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.3	179.2	-170	-24	0	0	0	109.5	G308 Q309 P342 L343 I345	D306-G308 WeakPolarHBondContact OD1-CA 3.4Å; D306-G308 PolarHBondContact OD1-N 2.87Å; D306-Q309 PolarHBondContact OD1-N 3.16Å; D306-Q309 VanDerWaalsContact OD1-N 3.08Å; D306-Q309 PolarHBondContact OD2-NE2 3.41Å; D306-P342 CarbonylContact O-C 3.57Å; D306-P342 WeakPolarHBondContact O-CA 3.46Å; D306-P342 WeakPolarHBondContact O-CB 3.19Å; D306-L343 PolarHBondContact N-O 3.43Å; D306-L343 PolarHBondContact O-N 3.18Å; D306-I345 HydrophobicContact CB-CD1 3.93Å; D306-I345 HydrophobicContact CB-CG1 4.34Å
307	F	90.6	Very high	89.5	Confident	53 Å²	53	57.7 Å²	57.7	23%	0.232	31%	0.306	C	S	.	.	S	Bend	trans	-100.6	-1.4	178.2	-61.6	-99.7	0	0	0	112.6	Q279 V282 R283 V305 P342	Q279-F307 HydrophobicContact CB-CD2 4.46Å; Q279-F307 HydrophobicContact CB-CE1 4.22Å; Q279-F307 HydrophobicContact CB-CE2 3.98Å; Q279-F307 HydrophobicContact CB-CZ 3.83Å; Q279-F307 HydrophobicContact CG-CD1 3.9Å; Q279-F307 HydrophobicContact CG-CD2 4.18Å; Q279-F307 HydrophobicContact CG-CE1 3.84Å; Q279-F307 HydrophobicContact CG-CE2 4.12Å; Q279-F307 HydrophobicContact CG-CG 4.07Å; Q279-F307 HydrophobicContact CG-CZ 3.94Å; V282-F307 HydrophobicContact CB-CZ 4.09Å; V282-F307 HydrophobicContact CG1-CE1 4.36Å; V282-F307 HydrophobicContact CG1-CZ 3.77Å; R283-F307 HydrophobicContact CG-CE2 4.43Å; R283-F307 VanDerWaalsContact NH2-CD2 3.3Å; V305-F307 HydrophobicContact CB-CD2 4.45Å; V305-F307 HydrophobicContact CB-CE2 3.78Å; V305-F307 HydrophobicContact CB-CZ 4.24Å; V305-F307 HydrophobicContact CG1-CD2 4.02Å; V305-F307 HydrophobicContact CG1-CE1 4.25Å; V305-F307 HydrophobicContact CG1-CE2 3.51Å; V305-F307 HydrophobicContact CG1-CZ 3.65Å; V305-F307 WeakPolarHBondContact O-CD2 3.16Å; F307-P342 HydrophobicContact CD1-CB 3.8Å; F307-P342 HydrophobicContact CD1-CG 4.13Å; F307-P342 HydrophobicContact CE1-CB 4.24Å; F307-P342 HydrophobicContact CE1-CG 4.14Å; F307-P342 HydrophobicContact CG-CB 4.15Å
308	G	91.8	Very high	89.4	Confident	72 Å²	72	66.6 Å²	66.6	74%	0.742	34%	0.343	S	S	*	.	S	Bend	trans	-90.3	-24.3	173.3	0	0	0	0	0	112.9	D306	D306-G308 WeakPolarHBondContact OD1-CA 3.4Å; D306-G308 PolarHBondContact OD1-N 2.87Å
309	Q	93.9	Very high	89.3	Confident	63 Å²	63	62.4 Å²	62.4	29%	0.294	35%	0.35	S	S	.	.			trans	-99	155.9	173.3	-65.9	-174.3	76.6	0	0	112.9	D306 L343	D306-Q309 PolarHBondContact OD1-N 3.16Å; D306-Q309 VanDerWaalsContact OD1-N 3.08Å; D306-Q309 PolarHBondContact OD2-NE2 3.41Å; Q309-L343 HydrophobicContact CB-CD1 3.55Å; Q309-L343 HydrophobicContact CB-CG 4.03Å
310	T	95.9	Very high	89.4	Confident	39 Å²	39	70.2 Å²	70.2	24%	0.239	37%	0.374	C	S	.	.			trans	-139.4	171.5	-179.2	63.7	0	0	0	0	110.4	K312 S313 H339	T310-K312 PolarHBondContact O-N 2.92Å; T310-K312 PolarHBondContact OG1-N 3.4Å; T310-S313 PolarHBondContact N-OG 3.47Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.26Å; T310-S313 PolarHBondContact O-N 2.66Å; T310-S313 PolarHBondContact O-OG 2.9Å; T310-H339 WeakPolarHBondContact CB-O 3.42Å
311	P	96.6	Very high	89.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.3	172	-31	36.8	0	0	0	115.8	S313 F324 V325 I336 Q341 L343 I364	P311-S313 VanDerWaalsContact C-N 3.34Å; P311-F324 WeakPolarHBondContact O-CB 3.43Å; P311-F324 PolarHBondContact O-N 2.79Å; P311-V325 HydrophobicContact CB-CG2 3.83Å; P311-V325 PolarHBondContact O-N 2.86Å; P311-I336 HydrophobicContact CB-CD1 3.9Å; P311-I336 HydrophobicContact CB-CG2 4.14Å; P311-I336 HydrophobicContact CG-CD1 4.45Å; P311-I336 HydrophobicContact CG-CG2 4.01Å; P311-Q341 VanDerWaalsContact CD-O 3.27Å; P311-Q341 WeakPolarHBondContact CD-O 3.48Å; P311-Q341 HydrophobicContact CG-CG 3.75Å; P311-L343 HydrophobicContact CG-CD2 4.44Å; P311-I364 HydrophobicContact CG-CD1 4.29Å
312	K	95.8	Very high	89.9	Confident	130 Å²	130	69.3 Å²	69.3	57%	0.565	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.5	174	-69.4	172.2	171.5	170	0	113.3	T310 H339	T310-K312 PolarHBondContact O-N 2.92Å; T310-K312 PolarHBondContact OG1-N 3.4Å; K312-H339 HydrophobicContact CD-CB 4.39Å; K312-H339 HydrophobicContact CG-CB 4.33Å
313	S	94.9	Very high	90.2	Very high	30 Å²	30	69.6 Å²	69.6	21%	0.21	38%	0.384	C	S	.	.			trans	-62.6	148.5	175.1	-58.3	0	0	0	0	110.9	T310 P311 S323 F324	T310-S313 PolarHBondContact N-OG 3.47Å; T310-S313 VanDerWaalsContact N-OG 3.08Å; T310-S313 WeakPolarHBondContact O-CB 3.26Å; T310-S313 PolarHBondContact O-N 2.66Å; T310-S313 PolarHBondContact O-OG 2.9Å; P311-S313 VanDerWaalsContact C-N 3.34Å; S313-S323 WeakPolarHBondContact O-CA 3.44Å; S313-F324 WeakPolarHBondContact O-CD2 3.41Å; S313-F324 PolarHBondContact O-N 2.85Å
314	T	92.4	Very high	90.5	Very high	87 Å²	87	67.6 Å²	67.6	53%	0.534	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	157.6	-178.3	52.4	0	0	0	0	112.4	I322	T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.31Å
315	F	90.3	Very high	90.7	Very high	59 Å²	59	66.4 Å²	66.4	26%	0.259	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.5	169.2	74	-79.5	0	0	0	110.9	C317 I322 F324 Y327	F315-C317 HydrophobicContact CD2-CB 4.46Å; F315-C317 HydrophobicContact CE2-CB 3.89Å; F315-C317 HydrophobicContact CZ-CB 4.4Å; F315-C317 PolarHBondContact O-N 2.91Å; F315-I322 HydrophobicContact CD1-CG2 4.37Å; F315-I322 HydrophobicContact CE1-CG2 3.9Å; F315-I322 HydrophobicContact CZ-CG2 4Å; F315-I322 PolarHBondContact N-O 2.99Å; F315-I322 PolarHBondContact O-N 2.92Å; F315-I322 VanDerWaalsContact O-N 3.1Å; F315-F324 HydrophobicContact CB-CZ 4.27Å; F315-F324 AromaticContact CD1-CD1 3.69Å; F315-F324 HydrophobicContact CD1-CD1 3.69Å; F315-F324 AromaticContact CD1-CE1 3.42Å; F315-F324 HydrophobicContact CD1-CE1 3.42Å; F315-F324 VanDerWaalsContact CD1-CE1 3.42Å; F315-F324 HydrophobicContact CD1-CE2 4.43Å; F315-F324 HydrophobicContact CD1-CG 4.31Å; F315-F324 AromaticContact CD1-CZ 3.83Å; F315-F324 HydrophobicContact CD1-CZ 3.83Å; F315-F324 AromaticContact CE1-CD1 3.69Å; F315-F324 HydrophobicContact CE1-CD1 3.69Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.45Å; F315-F324 HydrophobicContact CG-CE1 4.08Å; F315-F324 HydrophobicContact CG-CZ 4.29Å; F315-Y327 HydrophobicContact CE1-CD1 4.15Å; F315-Y327 HydrophobicContact CE1-CD2 4.43Å; F315-Y327 AromaticContact CE1-CG 3.92Å; F315-Y327 HydrophobicContact CE1-CG 3.92Å; F315-Y327 AromaticContact CZ-CD1 3.9Å; F315-Y327 HydrophobicContact CZ-CD1 3.9Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.22Å; F315-Y327 HydrophobicContact CZ-CE2 4.06Å; F315-Y327 AromaticContact CZ-CG 3.62Å; F315-Y327 HydrophobicContact CZ-CG 3.62Å
316	S	87.2	Confident	90.9	Very high	77 Å²	77	71.1 Å²	71.1	54%	0.538	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.2	-179.2	-149.2	0	0	0	0	112.4	D321	S316-D321 WeakPolarHBondContact CA-OD1 3.26Å; S316-D321 WeakPolarHBondContact CB-OD1 3.14Å; S316-D321 PolarHBondContact OG-OD1 3.18Å
317	C	78.4	Confident	91	Very high	48 Å²	48	71 Å²	71	32%	0.324	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	101.4	-178.2	-169.8	0	0	0	0	109.6	F315 G319 R320 I322	F315-C317 HydrophobicContact CD2-CB 4.46Å; F315-C317 HydrophobicContact CE2-CB 3.89Å; F315-C317 HydrophobicContact CZ-CB 4.4Å; F315-C317 PolarHBondContact O-N 2.91Å; C317-G319 VanDerWaalsContact C-N 3.3Å; C317-G319 PolarHBondContact O-N 2.98Å; C317-R320 PolarHBondContact N-O 2.79Å; C317-R320 PolarHBondContact O-N 3.04Å; C317-I322 HydrophobicContact CB-CG2 3.86Å
318	K	75.5	Confident	91.2	Very high	216 Å²	216	68.8 Å²	68.8	94%	0.939	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	36.7	-175.2	-52.3	178.7	179	177.9	0	114.2
319	G	79.9	Confident	91.3	Very high	72 Å²	72	68.6 Å²	68.6	74%	0.742	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	18.4	-179.4	0	0	0	0	0	114.6	C317	C317-G319 VanDerWaalsContact C-N 3.3Å; C317-G319 PolarHBondContact O-N 2.98Å
320	R	86.5	Confident	91.3	Very high	208 Å²	208	71.1 Å²	71.1	79%	0.785	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	131	163	-65.2	-174.5	-178.4	-172.7	-1.2	108.9	C317	C317-R320 PolarHBondContact N-O 2.79Å; C317-R320 PolarHBondContact O-N 3.04Å
321	D	90.2	Very high	91.1	Very high	113 Å²	113	74.8 Å²	74.8	60%	0.604	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.1	174.8	-63.3	-10.6	0	0	0	109.4	S316	S316-D321 WeakPolarHBondContact CA-OD1 3.26Å; S316-D321 WeakPolarHBondContact CB-OD1 3.14Å; S316-D321 PolarHBondContact OG-OD1 3.18Å
322	I	94.8	Very high	90.9	Very high	35 Å²	35	77.8 Å²	77.8	18%	0.179	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	142	-173	-171.6	168.8	0	0	0	109.3	T314 F315 C317 E326	T314-I322 VanDerWaalsContact CA-O 3.3Å; T314-I322 WeakPolarHBondContact CA-O 3.31Å; F315-I322 HydrophobicContact CD1-CG2 4.37Å; F315-I322 HydrophobicContact CE1-CG2 3.9Å; F315-I322 HydrophobicContact CZ-CG2 4Å; F315-I322 PolarHBondContact N-O 2.99Å; F315-I322 PolarHBondContact O-N 2.92Å; F315-I322 VanDerWaalsContact O-N 3.1Å; C317-I322 HydrophobicContact CB-CG2 3.86Å; I322-E326 HydrophobicContact CD1-CB 3.99Å; I322-E326 HydrophobicContact CG1-CB 3.61Å
323	S	95.3	Very high	90.9	Very high	9 Å²	9	78.2 Å²	78.2	6%	0.063	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	157.1	174.1	75	0	0	0	0	111.1	S313 V325 E326 Y327	S313-S323 WeakPolarHBondContact O-CA 3.44Å; S323-V325 VanDerWaalsContact C-N 3.27Å; S323-V325 PolarHBondContact O-N 2.86Å; S323-E326 VanDerWaalsContact CB-OE1 3.24Å; S323-E326 WeakPolarHBondContact CB-OE1 3.33Å; S323-E326 PolarHBondContact O-N 3.3Å; S323-E326 WeakPolarHBondContact OG-CB 3.3Å; S323-E326 WeakPolarHBondContact OG-CG 3.42Å; S323-E326 PolarHBondContact OG-N 3.43Å; S323-E326 VanDerWaalsContact OG-N 3.08Å; S323-E326 PolarHBondContact OG-OE1 2.77Å; S323-Y327 WeakPolarHBondContact O-CB 3.38Å; S323-Y327 PolarHBondContact O-N 3.5Å
324	F	95.1	Very high	90.9	Very high	7 Å²	7	78.9 Å²	78.9	3%	0.031	41%	0.411	C	S	.	.	H	α-helix	trans	-62.1	-38.3	173.2	-64.2	-76.3	0	0	0	111.5	P311 S313 F315 Y327 Y328 L343 V362 I364	P311-F324 WeakPolarHBondContact O-CB 3.43Å; P311-F324 PolarHBondContact O-N 2.79Å; S313-F324 WeakPolarHBondContact O-CD2 3.41Å; S313-F324 PolarHBondContact O-N 2.85Å; F315-F324 HydrophobicContact CB-CZ 4.27Å; F315-F324 AromaticContact CD1-CD1 3.69Å; F315-F324 HydrophobicContact CD1-CD1 3.69Å; F315-F324 AromaticContact CD1-CE1 3.42Å; F315-F324 HydrophobicContact CD1-CE1 3.42Å; F315-F324 VanDerWaalsContact CD1-CE1 3.42Å; F315-F324 HydrophobicContact CD1-CE2 4.43Å; F315-F324 HydrophobicContact CD1-CG 4.31Å; F315-F324 AromaticContact CD1-CZ 3.83Å; F315-F324 HydrophobicContact CD1-CZ 3.83Å; F315-F324 AromaticContact CE1-CD1 3.69Å; F315-F324 HydrophobicContact CE1-CD1 3.69Å; F315-F324 AromaticContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CE1 3.79Å; F315-F324 HydrophobicContact CE1-CG 4.45Å; F315-F324 HydrophobicContact CG-CE1 4.08Å; F315-F324 HydrophobicContact CG-CZ 4.29Å; F324-Y327 PolarHBondContact O-N 3.08Å; F324-Y328 HydrophobicContact CB-CD2 4.26Å; F324-Y328 HydrophobicContact CB-CE2 4.31Å; F324-Y328 HydrophobicContact CD1-CE2 4.26Å; F324-Y328 WeakPolarHBondContact O-CD2 3.36Å; F324-Y328 PolarHBondContact O-N 2.82Å; F324-L343 HydrophobicContact CD2-CD1 3.85Å; F324-L343 HydrophobicContact CE2-CD1 3.42Å; F324-L343 VanDerWaalsContact CE2-CD1 3.42Å; F324-L343 HydrophobicContact CZ-CD1 4.04Å; F324-V362 HydrophobicContact CE1-CB 3.91Å; F324-V362 HydrophobicContact CE1-CG1 4.02Å; F324-V362 HydrophobicContact CE2-CG1 4.31Å; F324-V362 HydrophobicContact CZ-CB 3.82Å; F324-V362 HydrophobicContact CZ-CG1 3.65Å; F324-V362 HydrophobicContact CZ-CG2 4.35Å; F324-I364 HydrophobicContact CB-CD1 3.96Å; F324-I364 HydrophobicContact CG-CD1 4.24Å
325	V	95.9	Very high	91	Very high	35 Å²	35	84.4 Å²	84.4	21%	0.212	42%	0.422	C	S	.	.	H	α-helix	trans	-55.8	-53	175.2	174.4	0	0	0	0	111.4	P311 S323 Y327 Y328 L329 I336	P311-V325 HydrophobicContact CB-CG2 3.83Å; P311-V325 PolarHBondContact O-N 2.86Å; S323-V325 VanDerWaalsContact C-N 3.27Å; S323-V325 PolarHBondContact O-N 2.86Å; V325-Y327 PolarHBondContact O-N 2.66Å; V325-Y328 PolarHBondContact O-N 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.31Å; V325-L329 PolarHBondContact O-N 3.05Å; V325-I336 HydrophobicContact CG2-CB 4.49Å; V325-I336 HydrophobicContact CG2-CD1 4.13Å
326	E	94.7	Very high	91.3	Very high	100 Å²	100	82 Å²	82	47%	0.467	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-42	178	-73.8	147.4	-118.4	0	0	112.4	I322 S323 L329 T330	I322-E326 HydrophobicContact CD1-CB 3.99Å; I322-E326 HydrophobicContact CG1-CB 3.61Å; S323-E326 VanDerWaalsContact CB-OE1 3.24Å; S323-E326 WeakPolarHBondContact CB-OE1 3.33Å; S323-E326 PolarHBondContact O-N 3.3Å; S323-E326 WeakPolarHBondContact OG-CB 3.3Å; S323-E326 WeakPolarHBondContact OG-CG 3.42Å; S323-E326 PolarHBondContact OG-N 3.43Å; S323-E326 VanDerWaalsContact OG-N 3.08Å; S323-E326 PolarHBondContact OG-OE1 2.77Å; E326-L329 PolarHBondContact O-N 3.08Å; E326-T330 WeakPolarHBondContact O-CB 3.48Å; E326-T330 PolarHBondContact O-N 3.43Å; E326-T330 PolarHBondContact O-OG1 2.86Å
327	Y	94.6	Very high	91.6	Very high	38 Å²	38	87.9 Å²	87.9	15%	0.149	42%	0.423	C	S	.	.	H	α-helix	trans	-63.4	-45.1	179.4	169.7	-102.7	0	0	0	112.4	F315 S323 F324 V325 K331 Y332	F315-Y327 HydrophobicContact CE1-CD1 4.15Å; F315-Y327 HydrophobicContact CE1-CD2 4.43Å; F315-Y327 AromaticContact CE1-CG 3.92Å; F315-Y327 HydrophobicContact CE1-CG 3.92Å; F315-Y327 AromaticContact CZ-CD1 3.9Å; F315-Y327 HydrophobicContact CZ-CD1 3.9Å; F315-Y327 AromaticContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CD2 3.72Å; F315-Y327 HydrophobicContact CZ-CE1 4.22Å; F315-Y327 HydrophobicContact CZ-CE2 4.06Å; F315-Y327 AromaticContact CZ-CG 3.62Å; F315-Y327 HydrophobicContact CZ-CG 3.62Å; S323-Y327 WeakPolarHBondContact O-CB 3.38Å; S323-Y327 PolarHBondContact O-N 3.5Å; F324-Y327 PolarHBondContact O-N 3.08Å; V325-Y327 PolarHBondContact O-N 2.66Å; Y327-K331 HydrophobicContact CD2-CD 4.23Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.37Å; Y327-K331 PolarHBondContact O-N 3.06Å; Y327-K331 PolarHBondContact OH-NZ 2.9Å; Y327-Y332 HydrophobicContact CE1-CE2 4.08Å
328	Y	95.3	Very high	92.4	Very high	6 Å²	6	87.4 Å²	87.4	2%	0.024	42%	0.417	C	S	.	.	H	α-helix	trans	-70.2	-34.8	179.2	-77.8	-69	0	0	0	112.4	Y295 F324 V325 Y332 N333 I334 I336 I364 L367	Y295-Y328 HydrophobicContact CD1-CE1 4.36Å; Y295-Y328 HydrophobicContact CD2-CE1 4.49Å; Y295-Y328 HydrophobicContact CE1-CD1 4.35Å; Y295-Y328 AromaticContact CE1-CE1 3.69Å; Y295-Y328 HydrophobicContact CE1-CE1 3.69Å; Y295-Y328 AromaticContact CE2-CE1 3.86Å; Y295-Y328 HydrophobicContact CE2-CE1 3.86Å; Y295-Y328 AromaticContact CZ-CE1 3.44Å; Y295-Y328 VanDerWaalsContact CZ-CE1 3.44Å; Y295-Y328 PolarHBondContact OH-OH 3.48Å; F324-Y328 HydrophobicContact CB-CD2 4.26Å; F324-Y328 HydrophobicContact CB-CE2 4.31Å; F324-Y328 HydrophobicContact CD1-CE2 4.26Å; F324-Y328 WeakPolarHBondContact O-CD2 3.36Å; F324-Y328 PolarHBondContact O-N 2.82Å; V325-Y328 PolarHBondContact O-N 3.31Å; Y328-Y332 AromaticContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CD2 3.7Å; Y328-Y332 AromaticContact CD1-CE2 3.95Å; Y328-Y332 HydrophobicContact CD1-CE2 3.95Å; Y328-Y332 HydrophobicContact CE1-CD2 4.19Å; Y328-Y332 AromaticContact CE1-CE2 3.98Å; Y328-Y332 HydrophobicContact CE1-CE2 3.98Å; Y328-Y332 PolarHBondContact O-N 2.88Å; Y328-Y332 VanDerWaalsContact O-N 3.16Å; Y328-N333 PolarHBondContact O-N 2.85Å; Y328-I334 CarbonylContact C-O 3.42Å; Y328-I334 PolarHBondContact O-N 2.92Å; Y328-I336 HydrophobicContact CD2-CD1 4.02Å; Y328-I364 HydrophobicContact CD2-CD1 4.46Å; Y328-I364 HydrophobicContact CD2-CG1 3.84Å; Y328-I364 HydrophobicContact CE2-CD1 4.04Å; Y328-I364 HydrophobicContact CE2-CG1 3.47Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.47Å; Y328-L367 HydrophobicContact CD1-CD1 3.76Å; Y328-L367 HydrophobicContact CD2-CD1 4.3Å; Y328-L367 HydrophobicContact CE1-CD1 4.13Å; Y328-L367 HydrophobicContact CG-CD1 3.89Å
329	L	95.1	Very high	93.3	Very high	68 Å²	68	80.5 Å²	80.5	36%	0.356	39%	0.388	S	S	.	.	H	α-helix	trans	-68.2	-52.3	173.6	-175.3	59	0	0	0	111.8	V325 E326 K331 N333 I334 R335	V325-L329 WeakPolarHBondContact O-CB 3.31Å; V325-L329 PolarHBondContact O-N 3.05Å; E326-L329 PolarHBondContact O-N 3.08Å; L329-K331 PolarHBondContact O-N 3.07Å; L329-N333 WeakPolarHBondContact O-CA 3.44Å; L329-N333 PolarHBondContact O-N 3.35Å; L329-I334 WeakPolarHBondContact CA-O 3.41Å; L329-I334 PolarHBondContact N-O 3.49Å; L329-R335 HydrophobicContact CD1-CG 3.93Å
330	T	92.9	Very high	94	Very high	116 Å²	116	83.1 Å²	83.1	71%	0.712	39%	0.385	S	S	*	.	H	α-helix	trans	-67.2	-35.8	-175.2	-53	0	0	0	0	112.6	E326	E326-T330 WeakPolarHBondContact O-CB 3.48Å; E326-T330 PolarHBondContact O-N 3.43Å; E326-T330 PolarHBondContact O-OG1 2.86Å
331	K	92.3	Very high	94.3	Very high	117 Å²	117	73.4 Å²	73.4	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-95.5	-29	-171.7	-171.8	173.8	171.8	179.5	0	114.7	Y327 L329	Y327-K331 HydrophobicContact CD2-CD 4.23Å; Y327-K331 HydrophobicContact CE2-CD 3.41Å; Y327-K331 VanDerWaalsContact CE2-CD 3.41Å; Y327-K331 WeakPolarHBondContact O-CB 3.37Å; Y327-K331 PolarHBondContact O-N 3.06Å; Y327-K331 PolarHBondContact OH-NZ 2.9Å; L329-K331 PolarHBondContact O-N 3.07Å
332	Y	92.6	Very high	94.5	Very high	63 Å²	63	69.1 Å²	69.1	25%	0.247	33%	0.327	C	S	.	.	H	α-helix	trans	-129.5	0.7	-175.3	-51.3	-77.4	0	0	0	113.3	Y295 N296 Y327 Y328 I334	Y295-Y332 AromaticContact CD2-CD1 3.82Å; Y295-Y332 HydrophobicContact CD2-CD1 3.82Å; Y295-Y332 AromaticContact CD2-CD2 3.92Å; Y295-Y332 HydrophobicContact CD2-CD2 3.92Å; Y295-Y332 AromaticContact CD2-CE1 3.62Å; Y295-Y332 HydrophobicContact CD2-CE1 3.62Å; Y295-Y332 AromaticContact CD2-CE2 3.7Å; Y295-Y332 HydrophobicContact CD2-CE2 3.7Å; Y295-Y332 AromaticContact CD2-CG 3.96Å; Y295-Y332 HydrophobicContact CD2-CG 3.96Å; Y295-Y332 AromaticContact CD2-CZ 3.53Å; Y295-Y332 HydrophobicContact CE2-CD2 4.37Å; Y295-Y332 HydrophobicContact CE2-CE1 4.23Å; Y295-Y332 AromaticContact CE2-CE2 3.78Å; Y295-Y332 HydrophobicContact CE2-CE2 3.78Å; Y295-Y332 AromaticContact CE2-CZ 3.69Å; Y295-Y332 HydrophobicContact CG-CD1 4.41Å; Y295-Y332 HydrophobicContact CG-CD2 4.44Å; Y295-Y332 HydrophobicContact CG-CG 4.32Å; N296-Y332 HydrophobicContact CB-CE1 4.5Å; Y327-Y332 HydrophobicContact CE1-CE2 4.08Å; Y328-Y332 AromaticContact CD1-CD2 3.7Å; Y328-Y332 HydrophobicContact CD1-CD2 3.7Å; Y328-Y332 AromaticContact CD1-CE2 3.95Å; Y328-Y332 HydrophobicContact CD1-CE2 3.95Å; Y328-Y332 HydrophobicContact CE1-CD2 4.19Å; Y328-Y332 AromaticContact CE1-CE2 3.98Å; Y328-Y332 HydrophobicContact CE1-CE2 3.98Å; Y328-Y332 PolarHBondContact O-N 2.88Å; Y328-Y332 VanDerWaalsContact O-N 3.16Å; Y332-I334 VanDerWaalsContact C-N 3.29Å; Y332-I334 PolarHBondContact O-N 3.03Å
333	N	94.8	Very high	94.6	Very high	138 Å²	138	67.4 Å²	67.4	74%	0.738	32%	0.318	S	S	*	.			trans	56	38.1	-174	-160.5	18.9	0	0	0	113.9	Y328 L329	Y328-N333 PolarHBondContact O-N 2.85Å; L329-N333 WeakPolarHBondContact O-CA 3.44Å; L329-N333 PolarHBondContact O-N 3.35Å
334	I	94.6	Very high	94.5	Very high	44 Å²	44	67 Å²	67	23%	0.226	32%	0.315	C	S	.	.			trans	-112	124.5	-177.9	-70.7	170	0	0	0	110.4	Y295 Y328 L329 Y332 L367	Y295-I334 VanDerWaalsContact CB-CD1 3.43Å; Y295-I334 HydrophobicContact CD1-CD1 4.44Å; Y295-I334 HydrophobicContact CG-CD1 4.27Å; Y328-I334 CarbonylContact C-O 3.42Å; Y328-I334 PolarHBondContact O-N 2.92Å; L329-I334 WeakPolarHBondContact CA-O 3.41Å; L329-I334 PolarHBondContact N-O 3.49Å; Y332-I334 VanDerWaalsContact C-N 3.29Å; Y332-I334 PolarHBondContact O-N 3.03Å; I334-L367 HydrophobicContact CG2-CD1 3.95Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I334-L367 HydrophobicContact CG2-CG 4.48Å
335	R	95.3	Very high	94.4	Very high	203 Å²	203	67.5 Å²	67.5	77%	0.766	32%	0.318	S	S	*	.			trans	-89.5	126.5	170.6	-62.2	-178.6	-176.6	-160.3	-0	109.3	L329	L329-R335 HydrophobicContact CD1-CG 3.93Å
336	I	96.1	Very high	94.1	Very high	9 Å²	9	66.3 Å²	66.3	5%	0.046	31%	0.311	C	S	.	.			trans	-77.4	138.8	168.8	-58.4	174.5	0	0	0	107.5	P311 V325 Y328 D338 I364 E366 L367	P311-I336 HydrophobicContact CB-CD1 3.9Å; P311-I336 HydrophobicContact CB-CG2 4.14Å; P311-I336 HydrophobicContact CG-CD1 4.45Å; P311-I336 HydrophobicContact CG-CG2 4.01Å; V325-I336 HydrophobicContact CG2-CB 4.49Å; V325-I336 HydrophobicContact CG2-CD1 4.13Å; Y328-I336 HydrophobicContact CD2-CD1 4.02Å; I336-D338 WeakPolarHBondContact CG2-O 3.41Å; I336-I364 HydrophobicContact CD1-CD1 4.07Å; I336-I364 HydrophobicContact CD1-CG1 3.82Å; I336-I364 HydrophobicContact CD1-CG2 4.24Å; I336-I364 HydrophobicContact CG1-CG2 4.48Å; I336-I364 HydrophobicContact CG2-CG2 4.18Å; I336-E366 WeakPolarHBondContact CG2-OE2 3.16Å; I336-L367 HydrophobicContact CG1-CD1 4.47Å
337	R	94.7	Very high	93.6	Very high	200 Å²	200	65.9 Å²	65.9	76%	0.755	31%	0.308	S	S	*	.	S	Bend	trans	-96.4	-40.3	-178.1	-72.5	169.8	-68.5	160.1	7.2	112.9	E366	R337-E366 WeakPolarHBondContact CB-OE1 3.42Å; R337-E366 IonicContact CZ-OE1 2.71Å; R337-E366 PolarHBondContact N-OE1 3.16Å; R337-E366 PolarHBondContact N-OE2 2.95Å; R337-E366 IonicContact NE-OE1 2.74Å; R337-E366 PolarHBondContact NE-OE1 3.48Å; R337-E366 IonicContact NH2-OE1 2.97Å; R337-E366 PolarHBondContact NH2-OE1 3.36Å
338	D	94.4	Very high	92.1	Very high	39 Å²	39	67 Å²	67	21%	0.209	32%	0.316	C	S	.	.			trans	-100.3	113.7	177.8	-168.2	-30.2	0	0	0	110.5	Y265 I336 N340 Q341 E366	Y265-D338 HydrophobicContact CE2-CB 3.67Å; Y265-D338 WeakPolarHBondContact CE2-OD2 3.18Å; Y265-D338 VanDerWaalsContact CZ-OD2 3.27Å; Y265-D338 PolarHBondContact OH-OD2 3.02Å; I336-D338 WeakPolarHBondContact CG2-O 3.41Å; D338-N340 WeakPolarHBondContact OD1-CA 3.44Å; D338-N340 PolarHBondContact OD1-N 2.91Å; D338-Q341 HydrophobicContact CB-CB 4.35Å; D338-Q341 WeakPolarHBondContact O-CG 3.29Å; D338-Q341 PolarHBondContact O-NE2 2.83Å; D338-Q341 PolarHBondContact OD1-N 2.83Å; D338-E366 PolarHBondContact N-OE2 3.1Å
339	H	95.4	Very high	90.2	Very high	71 Å²	71	75.6 Å²	75.6	33%	0.329	35%	0.348	S	S	.	.	S	Bend	trans	-87.6	-1.3	179	-66.5	151.3	0	0	0	114.7	T310 K312	T310-H339 WeakPolarHBondContact CB-O 3.42Å; K312-H339 HydrophobicContact CD-CB 4.39Å; K312-H339 HydrophobicContact CG-CB 4.33Å
340	N	92.9	Very high	87.9	Confident	126 Å²	126	78.2 Å²	78.2	67%	0.674	36%	0.363	S	S	*	.	S	Bend	trans	-111.5	-2.9	-179	-60	-13.2	0	0	0	112.4	D338	D338-N340 WeakPolarHBondContact OD1-CA 3.44Å; D338-N340 PolarHBondContact OD1-N 2.91Å
341	Q	94	Very high	85.6	Confident	4 Å²	4	75.4 Å²	75.4	2%	0.019	34%	0.341	C	S	.	.			trans	-61.6	143.7	176.1	72.6	-172	-76.3	0	0	111.8	Y265 P311 D338 I364 P365 E366	Y265-Q341 HydrophobicContact CD2-CB 3.96Å; Y265-Q341 HydrophobicContact CE2-CB 3.93Å; P311-Q341 VanDerWaalsContact CD-O 3.27Å; P311-Q341 WeakPolarHBondContact CD-O 3.48Å; P311-Q341 HydrophobicContact CG-CG 3.75Å; D338-Q341 HydrophobicContact CB-CB 4.35Å; D338-Q341 WeakPolarHBondContact O-CG 3.29Å; D338-Q341 PolarHBondContact O-NE2 2.83Å; D338-Q341 PolarHBondContact OD1-N 2.83Å; Q341-I364 HydrophobicContact CG-CG2 4.41Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; Q341-E366 PolarHBondContact NE2-OE2 2.91Å; Q341-E366 VanDerWaalsContact OE1-CB 3.31Å
342	P	94.7	Very high	83.3	Confident	23 Å²	23	71.4 Å²	71.4	15%	0.149	33%	0.33	C	S	.	.			trans	-67.9	169.5	175.3	31.1	-37.2	0	0	0	111.3	M268 V305 D306 F307 P365	M268-P342 HydrophobicContact CE-CG 3.82Å; M268-P342 HydrophobicContact SD-CG 3.71Å; V305-P342 HydrophobicContact CG1-CB 4.02Å; V305-P342 HydrophobicContact CG1-CG 4.21Å; D306-P342 CarbonylContact O-C 3.57Å; D306-P342 WeakPolarHBondContact O-CA 3.46Å; D306-P342 WeakPolarHBondContact O-CB 3.19Å; F307-P342 HydrophobicContact CD1-CB 3.8Å; F307-P342 HydrophobicContact CD1-CG 4.13Å; F307-P342 HydrophobicContact CE1-CB 4.24Å; F307-P342 HydrophobicContact CE1-CG 4.14Å; F307-P342 HydrophobicContact CG-CB 4.15Å; P342-P365 WeakPolarHBondContact O-CD 3.37Å; P342-P365 WeakPolarHBondContact O-CG 3.45Å
343	L	95.4	Very high	81	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.4	178.5	-57.8	-172.2	0	0	0	112.6	D306 Q309 P311 F324 V362 I364	D306-L343 PolarHBondContact N-O 3.43Å; D306-L343 PolarHBondContact O-N 3.18Å; Q309-L343 HydrophobicContact CB-CD1 3.55Å; Q309-L343 HydrophobicContact CB-CG 4.03Å; P311-L343 HydrophobicContact CG-CD2 4.44Å; F324-L343 HydrophobicContact CD2-CD1 3.85Å; F324-L343 HydrophobicContact CE2-CD1 3.42Å; F324-L343 VanDerWaalsContact CE2-CD1 3.42Å; F324-L343 HydrophobicContact CZ-CD1 4.04Å; L343-V362 HydrophobicContact CB-CG1 3.65Å; L343-V362 HydrophobicContact CD1-CG1 3.51Å; L343-V362 HydrophobicContact CG-CG1 4.13Å; L343-I364 HydrophobicContact CD2-CD1 3.63Å
344	L	94.7	Very high	78.5	Confident	1 Å²	1	77 Å²	77	1%	0.005	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.2	178	-52.3	177.5	0	0	0	110.3	I264 M268 V286 I302 V305 V362 L363 P365 C368	I264-L344 HydrophobicContact CB-CD1 4.12Å; I264-L344 HydrophobicContact CG1-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD1 4.02Å; I264-L344 HydrophobicContact CG2-CD2 3.92Å; M268-L344 HydrophobicContact CE-CD2 3.56Å; V286-L344 HydrophobicContact CG1-CD2 4.15Å; I302-L344 HydrophobicContact CD1-CD1 3.83Å; I302-L344 HydrophobicContact CD1-CD2 4.24Å; I302-L344 HydrophobicContact CD1-CG 4.49Å; I302-L344 HydrophobicContact CG1-CD1 4.39Å; I302-L344 HydrophobicContact CG2-CB 4.4Å; I302-L344 HydrophobicContact CG2-CD2 4.39Å; V305-L344 HydrophobicContact CG1-CD2 4.46Å; V305-L344 HydrophobicContact CG2-CD2 4.02Å; L344-V362 WeakPolarHBondContact O-CA 3.45Å; L344-L363 HydrophobicContact CB-CB 4.21Å; L344-L363 PolarHBondContact N-O 2.7Å; L344-L363 PolarHBondContact O-N 2.82Å; L344-P365 HydrophobicContact CD1-CG 4.39Å; L344-P365 HydrophobicContact CD2-CG 4.09Å; L344-P365 HydrophobicContact CG-CG 3.95Å; L344-C368 HydrophobicContact CD1-CB 4.02Å
345	I	92.4	Very high	76.2	Confident	16 Å²	16	78.6 Å²	78.6	8%	0.082	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.4	178.1	-66.7	-179.1	0	0	0	110.3	N303 D304 D306 K347 L360	N303-I345 PolarHBondContact N-O 2.87Å; D304-I345 HydrophobicContact CB-CB 3.94Å; D304-I345 HydrophobicContact CB-CD1 4.41Å; D304-I345 HydrophobicContact CB-CG2 4.33Å; D304-I345 PolarHBondContact N-O 3.23Å; D304-I345 VanDerWaalsContact N-O 3.15Å; D304-I345 PolarHBondContact O-N 3.33Å; D306-I345 HydrophobicContact CB-CD1 3.93Å; D306-I345 HydrophobicContact CB-CG1 4.34Å; I345-K347 HydrophobicContact CG2-CD 4.33Å; I345-K347 HydrophobicContact CG2-CG 3.89Å; I345-L360 HydrophobicContact CG1-CD2 4.34Å; I345-L360 HydrophobicContact CG2-CD1 4.07Å; I345-L360 HydrophobicContact CG2-CD2 3.99Å; I345-L360 HydrophobicContact CG2-CG 3.89Å
346	S	90	Very high	73.8	Confident	10 Å²	10	76.7 Å²	76.7	7%	0.07	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	112.4	172.6	158.6	0	0	0	0	109.8	R301 V361	R301-S346 WeakPolarHBondContact O-CB 3.39Å; S346-V361 PolarHBondContact N-O 3.46Å; S346-V361 PolarHBondContact O-N 2.79Å
347	K	83.4	Confident	71.4	Confident	91 Å²	91	79 Å²	79	40%	0.396	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.3	-179.8	-66.4	175.4	-178.7	171.6	0	109.5	N303 I345 R349 L360	N303-K347 PolarHBondContact OD1-N 3.26Å; N303-K347 PolarHBondContact OD1-O 2.93Å; I345-K347 HydrophobicContact CG2-CD 4.33Å; I345-K347 HydrophobicContact CG2-CG 3.89Å; K347-R349 VanDerWaalsContact C-N 3.35Å; K347-R349 PolarHBondContact O-N 2.93Å; K347-L360 HydrophobicContact CG-CD1 4.39Å; K347-L360 HydrophobicContact CG-CG 4.31Å
348	N	64.3	Low	69.3	Low	61 Å²	61	73.3 Å²	73.3	33%	0.326	38%	0.383	S	S	.	.			trans	-75.3	83.8	-179.7	-170.7	-19.1	0	0	0	111.4	D350 K351 A352	N348-D350 VanDerWaalsContact C-N 3.29Å; N348-D350 PolarHBondContact O-N 3.27Å; N348-D350 PolarHBondContact OD1-N 2.86Å; N348-K351 HydrophobicContact CB-CB 4.28Å; N348-K351 PolarHBondContact O-N 3.19Å; N348-K351 PolarHBondContact OD1-N 3.39Å; N348-A352 WeakPolarHBondContact O-CB 3.39Å; N348-A352 PolarHBondContact O-N 2.78Å
349	R	54.5	Low	67.9	Low	187 Å²	187	75.5 Å²	75.5	71%	0.706	39%	0.392	S	S	*	.	H	α-helix	trans	-53.3	-42.2	-178.3	-74.7	-173.4	170	-164.4	-4.3	113.3	K347 K351 A352 L353	K347-R349 VanDerWaalsContact C-N 3.35Å; K347-R349 PolarHBondContact O-N 2.93Å; R349-K351 VanDerWaalsContact C-N 3.25Å; R349-K351 PolarHBondContact O-N 2.7Å; R349-A352 PolarHBondContact O-N 2.78Å; R349-L353 PolarHBondContact O-N 3.49Å; R349-L353 VanDerWaalsContact O-N 3.14Å
350	D	46.8	Very low	67	Low	123 Å²	123	75.6 Å²	75.6	66%	0.658	40%	0.395	S	S	*	.	H	α-helix	trans	-70.9	-21.9	-174.7	-56.5	-26.6	0	0	0	112.9	N348 K354	N348-D350 VanDerWaalsContact C-N 3.29Å; N348-D350 PolarHBondContact O-N 3.27Å; N348-D350 PolarHBondContact OD1-N 2.86Å; D350-K354 WeakPolarHBondContact O-CD 3.45Å
351	K	44.8	Very low	66.8	Low	58 Å²	58	71.5 Å²	71.5	25%	0.252	37%	0.374	S	S	.	.	H	α-helix	trans	-86.2	-46.5	166.4	-89	-167.3	170.7	-169.4	0	112.8	N348 R349 L353 K354 T355 E359	N348-K351 HydrophobicContact CB-CB 4.28Å; N348-K351 PolarHBondContact O-N 3.19Å; N348-K351 PolarHBondContact OD1-N 3.39Å; R349-K351 VanDerWaalsContact C-N 3.25Å; R349-K351 PolarHBondContact O-N 2.7Å; K351-L353 PolarHBondContact O-N 3.49Å; K351-K354 WeakPolarHBondContact O-CA 3.48Å; K351-K354 WeakPolarHBondContact O-CB 3.41Å; K351-K354 PolarHBondContact O-N 2.95Å; K351-T355 PolarHBondContact O-N 2.88Å; K351-T355 VanDerWaalsContact O-N 3.12Å; K351-T355 PolarHBondContact O-OG1 3.02Å; K351-T355 VanDerWaalsContact O-OG1 3.1Å; K351-E359 WeakPolarHBondContact CD-OE2 3.4Å; K351-E359 WeakPolarHBondContact CE-OE2 3.28Å; K351-E359 IonicContact NZ-OE1 4Å; K351-E359 PolarHBondContact NZ-OE1 2.66Å; K351-E359 IonicContact NZ-OE2 2.7Å; K351-E359 PolarHBondContact NZ-OE2 2.91Å
352	A	43.2	Very low	66.8	Low	33 Å²	33	72.6 Å²	72.6	27%	0.273	38%	0.381	S	S	.	.	H	α-helix	trans	-56.7	-37.7	-174.1	0	0	0	0	0	112.1	N348 R349 K354	N348-A352 WeakPolarHBondContact O-CB 3.39Å; N348-A352 PolarHBondContact O-N 2.78Å; R349-A352 PolarHBondContact O-N 2.78Å; A352-K354 PolarHBondContact O-N 2.64Å
353	L	44.7	Very low	66.8	Low	151 Å²	151	71.5 Å²	71.5	79%	0.791	37%	0.374	S	S	*	.	H	α-helix	trans	-65.7	-8.4	172.7	-80.8	163.5	0	0	0	115.3	R349 K351	R349-L353 PolarHBondContact O-N 3.49Å; R349-L353 VanDerWaalsContact O-N 3.14Å; K351-L353 PolarHBondContact O-N 3.49Å
354	K	43	Very low	66.8	Low	166 Å²	166	71.5 Å²	71.5	72%	0.722	37%	0.374	S	S	*	.	H	α-helix	trans	-122.4	-16.9	-172.6	-62.6	-174.9	-178.4	-178	0	114.5	D350 K351 A352	D350-K354 WeakPolarHBondContact O-CD 3.45Å; K351-K354 WeakPolarHBondContact O-CA 3.48Å; K351-K354 WeakPolarHBondContact O-CB 3.41Å; K351-K354 PolarHBondContact O-N 2.95Å; A352-K354 PolarHBondContact O-N 2.64Å
355	T	46.4	Very low	66.9	Low	78 Å²	78	71.5 Å²	71.5	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-122.6	-2.9	-174.3	50.2	0	0	0	0	114.9	K351 A357	K351-T355 PolarHBondContact O-N 2.88Å; K351-T355 VanDerWaalsContact O-N 3.12Å; K351-T355 PolarHBondContact O-OG1 3.02Å; K351-T355 VanDerWaalsContact O-OG1 3.1Å; T355-A357 PolarHBondContact O-N 3.15Å; T355-A357 PolarHBondContact OG1-O 3.33Å
356	N	43.4	Very low	67	Low	163 Å²	163	71.3 Å²	71.3	87%	0.872	37%	0.373	S	S	*	.	S	Bend	trans	56.3	-27	-168.2	-74.2	-2.3	0	0	0	115.9	S358	N356-S358 PolarHBondContact O-N 2.85Å
357	A	46.4	Very low	67.2	Low	59 Å²	59	72 Å²	72	49%	0.488	38%	0.376	S	S	.	.	S	Bend	trans	-68.2	117.5	165.2	0	0	0	0	0	110.6	T355 E359	T355-A357 PolarHBondContact O-N 3.15Å; T355-A357 PolarHBondContact OG1-O 3.33Å; A357-E359 PolarHBondContact O-N 2.83Å
358	S	50.1	Low	67.6	Low	79 Å²	79	67.7 Å²	67.7	55%	0.552	36%	0.357	S	S	*	.			trans	-71.6	89.9	164.2	169.5	0	0	0	0	109.3	N356 L360	N356-S358 PolarHBondContact O-N 2.85Å; S358-L360 PolarHBondContact O-N 2.67Å
359	E	64.6	Low	68.9	Low	85 Å²	85	66 Å²	66	40%	0.397	35%	0.346	S	S	.	.			trans	-62.1	83.5	164.1	-81.5	-171.4	-166.4	0	0	109.8	K351 A357	K351-E359 WeakPolarHBondContact CD-OE2 3.4Å; K351-E359 WeakPolarHBondContact CE-OE2 3.28Å; K351-E359 IonicContact NZ-OE1 4Å; K351-E359 PolarHBondContact NZ-OE1 2.66Å; K351-E359 IonicContact NZ-OE2 2.7Å; K351-E359 PolarHBondContact NZ-OE2 2.91Å; A357-E359 PolarHBondContact O-N 2.83Å
360	L	78.1	Confident	70.5	Confident	74 Å²	74	57.1 Å²	57.1	39%	0.387	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.2	171.1	-168.6	153.3	0	0	0	107.7	I345 K347 S358 V362	I345-L360 HydrophobicContact CG1-CD2 4.34Å; I345-L360 HydrophobicContact CG2-CD1 4.07Å; I345-L360 HydrophobicContact CG2-CD2 3.99Å; I345-L360 HydrophobicContact CG2-CG 3.89Å; K347-L360 HydrophobicContact CG-CD1 4.39Å; K347-L360 HydrophobicContact CG-CG 4.31Å; S358-L360 PolarHBondContact O-N 2.67Å; L360-V362 HydrophobicContact CD2-CG2 3.49Å; L360-V362 VanDerWaalsContact CD2-CG2 3.49Å
361	V	88.4	Confident	72.3	Confident	39 Å²	39	52.2 Å²	52.2	24%	0.236	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.7	178.5	-174.3	0	0	0	0	108.7	Y300 S346 L363	Y300-V361 HydrophobicContact CD1-CB 4.45Å; Y300-V361 HydrophobicContact CD1-CG1 4.2Å; Y300-V361 HydrophobicContact CE1-CB 4.28Å; Y300-V361 HydrophobicContact CE1-CG1 3.77Å; Y300-V361 HydrophobicContact CE1-CG2 4.2Å; S346-V361 PolarHBondContact N-O 3.46Å; S346-V361 PolarHBondContact O-N 2.79Å; V361-L363 HydrophobicContact CG1-CD2 3.67Å; V361-L363 HydrophobicContact CG1-CG 4.13Å
362	V	92.6	Very high	74.1	Confident	27 Å²	27	50.8 Å²	50.8	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131	176.4	-170.5	0	0	0	0	109.1	F324 L343 L344 L360	F324-V362 HydrophobicContact CE1-CB 3.91Å; F324-V362 HydrophobicContact CE1-CG1 4.02Å; F324-V362 HydrophobicContact CE2-CG1 4.31Å; F324-V362 HydrophobicContact CZ-CB 3.82Å; F324-V362 HydrophobicContact CZ-CG1 3.65Å; F324-V362 HydrophobicContact CZ-CG2 4.35Å; L343-V362 HydrophobicContact CB-CG1 3.65Å; L343-V362 HydrophobicContact CD1-CG1 3.51Å; L343-V362 HydrophobicContact CG-CG1 4.13Å; L344-V362 WeakPolarHBondContact O-CA 3.45Å; L360-V362 HydrophobicContact CD2-CG2 3.49Å; L360-V362 VanDerWaalsContact CD2-CG2 3.49Å
363	L	95.2	Very high	75.8	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153	-174.7	-51	168.6	0	0	0	111.6	V291 T293 Y300 L344 V361	V291-L363 HydrophobicContact CG2-CD1 4.38Å; T293-L363 HydrophobicContact CG2-CD2 4.27Å; Y300-L363 HydrophobicContact CD1-CD1 4.29Å; Y300-L363 HydrophobicContact CD2-CD1 3.68Å; Y300-L363 HydrophobicContact CD2-CD2 4.21Å; Y300-L363 HydrophobicContact CE2-CD1 4.43Å; Y300-L363 HydrophobicContact CE2-CD2 4.13Å; Y300-L363 HydrophobicContact CG-CD1 3.6Å; L344-L363 HydrophobicContact CB-CB 4.21Å; L344-L363 PolarHBondContact N-O 2.7Å; L344-L363 PolarHBondContact O-N 2.82Å; V361-L363 HydrophobicContact CG1-CD2 3.67Å; V361-L363 HydrophobicContact CG1-CG 4.13Å
364	I	96.6	Very high	77.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.258	C	S	.	.			trans	-90.5	123.9	179.2	-49.1	-53.7	0	0	0	109.4	P311 F324 Y328 I336 Q341 L343 E366 L367 C368	P311-I364 HydrophobicContact CG-CD1 4.29Å; F324-I364 HydrophobicContact CB-CD1 3.96Å; F324-I364 HydrophobicContact CG-CD1 4.24Å; Y328-I364 HydrophobicContact CD2-CD1 4.46Å; Y328-I364 HydrophobicContact CD2-CG1 3.84Å; Y328-I364 HydrophobicContact CE2-CD1 4.04Å; Y328-I364 HydrophobicContact CE2-CG1 3.47Å; Y328-I364 VanDerWaalsContact CE2-CG1 3.47Å; I336-I364 HydrophobicContact CD1-CD1 4.07Å; I336-I364 HydrophobicContact CD1-CG1 3.82Å; I336-I364 HydrophobicContact CD1-CG2 4.24Å; I336-I364 HydrophobicContact CG1-CG2 4.48Å; I336-I364 HydrophobicContact CG2-CG2 4.18Å; Q341-I364 HydrophobicContact CG-CG2 4.41Å; L343-I364 HydrophobicContact CD2-CD1 3.63Å; I364-E366 HydrophobicContact CG2-CB 4.05Å; I364-E366 PolarHBondContact O-N 3.45Å; I364-L367 HydrophobicContact CB-CB 4.27Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4.01Å; I364-L367 HydrophobicContact CG1-CD1 4.21Å; I364-L367 HydrophobicContact CG2-CG 4.21Å; I364-L367 PolarHBondContact O-N 2.96Å; I364-C368 PolarHBondContact O-N 3.43Å; I364-C368 PolarHBondContact O-SG 2.72Å
365	P	95.1	Very high	78.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-50.8	-40	177.7	-29.1	32.6	0	0	0	114.9	I264 Y265 M268 Q341 P342 L344 L367 C368	I264-P365 HydrophobicContact CB-CB 4.13Å; I264-P365 HydrophobicContact CG2-CB 4.05Å; I264-P365 PolarHBondContact N-O 3.1Å; Y265-P365 PolarHBondContact N-O 2.88Å; M268-P365 HydrophobicContact CE-CG 4.08Å; M268-P365 HydrophobicContact SD-CB 3.78Å; M268-P365 HydrophobicContact SD-CG 3.73Å; Q341-P365 VanDerWaalsContact OE1-CD 3.26Å; P342-P365 WeakPolarHBondContact O-CD 3.37Å; P342-P365 WeakPolarHBondContact O-CG 3.45Å; L344-P365 HydrophobicContact CD1-CG 4.39Å; L344-P365 HydrophobicContact CD2-CG 4.09Å; L344-P365 HydrophobicContact CG-CG 3.95Å; P365-L367 PolarHBondContact O-N 2.9Å; P365-C368 PolarHBondContact O-N 3.24Å
366	E	95.1	Very high	79.9	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.061	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.6	-28.7	178.7	-171.3	-173.3	159.2	0	0	113.1	I336 R337 D338 Q341 I364	I336-E366 WeakPolarHBondContact CG2-OE2 3.16Å; R337-E366 WeakPolarHBondContact CB-OE1 3.42Å; R337-E366 IonicContact CZ-OE1 2.71Å; R337-E366 PolarHBondContact N-OE1 3.16Å; R337-E366 PolarHBondContact N-OE2 2.95Å; R337-E366 IonicContact NE-OE1 2.74Å; R337-E366 PolarHBondContact NE-OE1 3.48Å; R337-E366 IonicContact NH2-OE1 2.97Å; R337-E366 PolarHBondContact NH2-OE1 3.36Å; D338-E366 PolarHBondContact N-OE2 3.1Å; Q341-E366 PolarHBondContact NE2-OE2 2.91Å; Q341-E366 VanDerWaalsContact OE1-CB 3.31Å; I364-E366 HydrophobicContact CG2-CB 4.05Å; I364-E366 PolarHBondContact O-N 3.45Å
367	L	94.3	Very high	81.6	Confident	25 Å²	25	38.2 Å²	38.2	13%	0.131	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-99.2	10.6	-177.9	-52	-175.8	0	0	0	112.8	Y295 Y328 I334 I336 I364 P365	Y295-L367 HydrophobicContact CD1-CB 4.15Å; Y295-L367 HydrophobicContact CD1-CD1 4.34Å; Y295-L367 HydrophobicContact CE1-CB 3.92Å; Y295-L367 HydrophobicContact CE1-CD1 4.25Å; Y328-L367 HydrophobicContact CD1-CD1 3.76Å; Y328-L367 HydrophobicContact CD2-CD1 4.3Å; Y328-L367 HydrophobicContact CE1-CD1 4.13Å; Y328-L367 HydrophobicContact CG-CD1 3.89Å; I334-L367 HydrophobicContact CG2-CD1 3.95Å; I334-L367 HydrophobicContact CG2-CD2 3.65Å; I334-L367 HydrophobicContact CG2-CG 4.48Å; I336-L367 HydrophobicContact CG1-CD1 4.47Å; I364-L367 HydrophobicContact CB-CB 4.27Å; I364-L367 HydrophobicContact CB-CD1 4.14Å; I364-L367 HydrophobicContact CB-CG 4.01Å; I364-L367 HydrophobicContact CG1-CD1 4.21Å; I364-L367 HydrophobicContact CG2-CG 4.21Å; I364-L367 PolarHBondContact O-N 2.96Å; P365-L367 PolarHBondContact O-N 2.9Å
368	C	93.1	Very high	83.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.235	C	C	.	.			trans	-121.6	111.5	-174.7	-69.2	0	0	0	0	111.6	T263 I264 V291 L292 L344 I364 P365	T263-C368 CarbonylContact C-O 3.56Å; T263-C368 VanDerWaalsContact CA-O 3.28Å; T263-C368 WeakPolarHBondContact CA-O 3.35Å; I264-C368 HydrophobicContact CG1-CB 4.06Å; I264-C368 PolarHBondContact N-O 3.48Å; V291-C368 HydrophobicContact CB-CB 3.99Å; V291-C368 HydrophobicContact CG1-CB 4.09Å; V291-C368 HydrophobicContact CG2-CB 4.15Å; L292-C368 WeakPolarHBondContact O-CA 3.17Å; L344-C368 HydrophobicContact CD1-CB 4.02Å; I364-C368 PolarHBondContact O-N 3.43Å; I364-C368 PolarHBondContact O-SG 2.72Å; P365-C368 PolarHBondContact O-N 3.24Å
369	R	90.2	Very high	84.2	Confident	26 Å²	26	44.1 Å²	44.1	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	141.7	175.7	-73.8	169.6	69.2	178.2	4.3	112	E232 M259 R260 T263 V291 L292 D294	E232-R369 IonicContact OE1-CZ 3.65Å; E232-R369 IonicContact OE1-NH1 3.86Å; E232-R369 PolarHBondContact OE1-NH1 3.27Å; E232-R369 IonicContact OE1-NH2 2.7Å; E232-R369 PolarHBondContact OE1-NH2 2.84Å; E232-R369 IonicContact OE2-NH1 2.91Å; E232-R369 IonicContact OE2-NH2 2.73Å; E232-R369 PolarHBondContact OE2-NH2 3.25Å; M259-R369 HydrophobicContact CE-CB 4.26Å; R260-R369 PolarHBondContact O-NE 2.81Å; R260-R369 PolarHBondContact O-NH2 2.82Å; T263-R369 HydrophobicContact CG2-CG 4.22Å; V291-R369 CarbonylContact C-O 3.58Å; V291-R369 WeakPolarHBondContact CA-O 3.17Å; L292-R369 PolarHBondContact N-O 3.31Å; L292-R369 PolarHBondContact O-N 3.38Å; D294-R369 WeakPolarHBondContact OD1-CD 3.23Å; D294-R369 WeakPolarHBondContact OD2-CD 3.49Å; D294-R369 IonicContact OD2-CZ 2.84Å; D294-R369 IonicContact OD2-NE 2.7Å; D294-R369 IonicContact OD2-NH1 3.2Å; D294-R369 PolarHBondContact OD2-NH1 3.28Å
370	V	88.5	Confident	85	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	132.3	-177.4	-178.4	0	0	0	0	111.6	R260 E262 I264 I267 L289	R260-V370 HydrophobicContact CB-CB 4.44Å; R260-V370 WeakPolarHBondContact CB-O 3.41Å; R260-V370 HydrophobicContact CG-CB 4.35Å; R260-V370 WeakPolarHBondContact CG-O 3.44Å; R260-V370 VanDerWaalsContact CZ-CG1 3.45Å; R260-V370 PolarHBondContact N-O 2.95Å; E262-V370 PolarHBondContact O-N 3.21Å; I264-V370 HydrophobicContact CD1-CG2 3.43Å; I264-V370 VanDerWaalsContact CD1-CG2 3.43Å; I264-V370 HydrophobicContact CG1-CG2 4.29Å; I267-V370 HydrophobicContact CD1-CG2 3.57Å; L289-V370 HydrophobicContact CD1-CG1 4.13Å; L289-V370 HydrophobicContact CD1-CG2 4.04Å
371	T	84.6	Confident	85.1	Confident	20 Å²	20	47 Å²	47	12%	0.123	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	142.2	173.5	75	0	0	0	0	110.7	M259 I290 L292 T299	M259-T371 HydrophobicContact CE-CG2 3.85Å; M259-T371 HydrophobicContact SD-CG2 3.69Å; I290-T371 HydrophobicContact CG2-CG2 4.41Å; I290-T371 WeakPolarHBondContact O-CB 3.17Å; I290-T371 WeakPolarHBondContact O-CG2 3.39Å; I290-T371 PolarHBondContact O-N 3.47Å; I290-T371 PolarHBondContact O-OG1 3.03Å; L292-T371 HydrophobicContact CB-CG2 4.05Å; T299-T371 HydrophobicContact CG2-CG2 4.21Å
372	G	81.7	Confident	85	Confident	27 Å²	27	51.7 Å²	51.7	28%	0.278	27%	0.272	S	S	.	.	S	Bend	trans	70.5	178.4	174	0	0	0	0	0	116.3	V258 R260	V258-G372 PolarHBondContact O-N 3.43Å; R260-G372 PolarHBondContact NE-O 3.35Å; R260-G372 PolarHBondContact NH2-O 2.92Å
373	L	80.5	Confident	84.6	Confident	29 Å²	29	50.6 Å²	50.6	15%	0.152	27%	0.265	C	S	.	.			trans	-98.6	137.4	-170.2	-55.5	171.5	0	0	0	111.9	M231 V258 M377 R378 M384 M387	M231-L373 HydrophobicContact SD-CD2 3.66Å; V258-L373 HydrophobicContact CG1-CD2 3.89Å; V258-L373 HydrophobicContact CG1-CG 4.39Å; L373-M377 HydrophobicContact CB-CB 4.08Å; L373-M377 HydrophobicContact CD2-CB 4.1Å; L373-M377 HydrophobicContact CD2-CE 3.72Å; L373-M377 HydrophobicContact CD2-SD 4.47Å; L373-R378 HydrophobicContact CB-CG 3.87Å; L373-R378 HydrophobicContact CD1-CG 4.21Å; L373-R378 PolarHBondContact O-NE 2.79Å; L373-R378 VanDerWaalsContact O-NE 3.09Å; L373-R378 PolarHBondContact O-NH2 3.37Å; L373-M384 HydrophobicContact CD1-SD 3.86Å; L373-M387 HydrophobicContact CD1-CE 3.48Å; L373-M387 VanDerWaalsContact CD1-CE 3.48Å; L373-M387 HydrophobicContact CD1-SD 4.12Å; L373-M387 HydrophobicContact CD2-CE 3.79Å; L373-M387 HydrophobicContact CD2-SD 3.87Å; L373-M387 HydrophobicContact CG-CE 4.27Å
374	N	76.5	Confident	84.2	Confident	51 Å²	51	53.9 Å²	53.9	27%	0.273	28%	0.281	S	S	.	.			trans	-76.1	-170.5	167.5	82.6	-4.8	0	0	0	111.1	E376 M377 R378	N374-E376 PolarHBondContact ND2-OE2 3.01Å; N374-E376 PolarHBondContact OD1-N 3.37Å; N374-M377 HydrophobicContact CB-SD 4.22Å; N374-M377 PolarHBondContact N-SD 3.4Å; N374-M377 VanDerWaalsContact N-SD 3.44Å; N374-M377 WeakPolarHBondContact OD1-CB 3.39Å; N374-M377 WeakPolarHBondContact OD1-CG 3.48Å; N374-M377 PolarHBondContact OD1-N 2.9Å; N374-R378 WeakPolarHBondContact O-CD 3.48Å; N374-R378 WeakPolarHBondContact O-CG 3.48Å; N374-R378 PolarHBondContact O-NE 3.02Å
375	A	68.8	Low	83.6	Confident	80 Å²	80	62.5 Å²	62.5	66%	0.661	31%	0.313	S	S	*	.	H	α-helix	trans	-69.9	-43.9	179.4	0	0	0	0	0	113.1	R378 S379	A375-R378 WeakPolarHBondContact O-CB 3.42Å; A375-R378 PolarHBondContact O-N 3.19Å; A375-R378 VanDerWaalsContact O-N 3.08Å; A375-S379 PolarHBondContact O-N 3.43Å; A375-S379 VanDerWaalsContact O-N 3.09Å
376	E	73.1	Confident	83.1	Confident	139 Å²	139	63.5 Å²	63.5	65%	0.65	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-40.2	-177.8	-55.5	155.5	151.9	0	0	111.6	N374 R378 S379 N380	N374-E376 PolarHBondContact ND2-OE2 3.01Å; N374-E376 PolarHBondContact OD1-N 3.37Å; E376-R378 PolarHBondContact O-N 3.17Å; E376-S379 WeakPolarHBondContact CA-OG 3.5Å; E376-S379 PolarHBondContact O-N 3.29Å; E376-S379 PolarHBondContact O-OG 2.98Å; E376-N380 PolarHBondContact O-N 2.73Å
377	M	79.4	Confident	82.6	Confident	29 Å²	29	63.3 Å²	63.3	14%	0.143	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-27.3	173.9	-66.7	165.8	88.9	0	0	112.3	M231 R260 L373 N374 L383	M231-M377 HydrophobicContact CE-CE 3.34Å; M231-M377 HydrophobicContact CG-CE 4.46Å; M231-M377 HydrophobicContact SD-CE 3.43Å; M231-M377 WeakPolarHBondContact SD-CE 3.38Å; R260-M377 HydrophobicContact CG-CE 4.04Å; R260-M377 VanDerWaalsContact CZ-SD 3.56Å; L373-M377 HydrophobicContact CB-CB 4.08Å; L373-M377 HydrophobicContact CD2-CB 4.1Å; L373-M377 HydrophobicContact CD2-CE 3.72Å; L373-M377 HydrophobicContact CD2-SD 4.47Å; N374-M377 HydrophobicContact CB-SD 4.22Å; N374-M377 PolarHBondContact N-SD 3.4Å; N374-M377 VanDerWaalsContact N-SD 3.44Å; N374-M377 WeakPolarHBondContact OD1-CB 3.39Å; N374-M377 WeakPolarHBondContact OD1-CG 3.48Å; N374-M377 PolarHBondContact OD1-N 2.9Å; M377-L383 HydrophobicContact CB-CD2 3.74Å; M377-L383 HydrophobicContact CG-CD2 4.12Å; M377-L383 WeakPolarHBondContact O-CD2 3.33Å
378	R	77.6	Confident	82	Confident	164 Å²	164	63 Å²	63	62%	0.619	32%	0.321	S	S	*	.	H	α-helix	trans	-84.6	-25.6	175.9	-65	168.5	-156	-163.7	4.4	112.8	L373 N374 A375 E376 M384	L373-R378 HydrophobicContact CB-CG 3.87Å; L373-R378 HydrophobicContact CD1-CG 4.21Å; L373-R378 PolarHBondContact O-NE 2.79Å; L373-R378 VanDerWaalsContact O-NE 3.09Å; L373-R378 PolarHBondContact O-NH2 3.37Å; N374-R378 WeakPolarHBondContact O-CD 3.48Å; N374-R378 WeakPolarHBondContact O-CG 3.48Å; N374-R378 PolarHBondContact O-NE 3.02Å; A375-R378 WeakPolarHBondContact O-CB 3.42Å; A375-R378 PolarHBondContact O-N 3.19Å; A375-R378 VanDerWaalsContact O-N 3.08Å; E376-R378 PolarHBondContact O-N 3.17Å; R378-M384 WeakPolarHBondContact O-CG 3.37Å
379	S	73.9	Confident	81.4	Confident	98 Å²	98	67 Å²	67	69%	0.685	35%	0.349	S	S	*	.	H	α-helix	trans	-84.6	-22	172.6	59.9	0	0	0	0	112.8	A375 E376 F381	A375-S379 PolarHBondContact O-N 3.43Å; A375-S379 VanDerWaalsContact O-N 3.09Å; E376-S379 WeakPolarHBondContact CA-OG 3.5Å; E376-S379 PolarHBondContact O-N 3.29Å; E376-S379 PolarHBondContact O-OG 2.98Å; S379-F381 PolarHBondContact O-N 3.46Å
380	N	81.3	Confident	80.9	Confident	59 Å²	59	70.7 Å²	70.7	32%	0.316	36%	0.364	S	S	.	.			trans	-64.5	101.3	171	-175.4	-29.4	0	0	0	111.1	E376 Q382 L383 M384	E376-N380 PolarHBondContact O-N 2.73Å; N380-Q382 VanDerWaalsContact C-N 3.34Å; N380-Q382 PolarHBondContact O-N 2.83Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.44Å; N380-Q382 PolarHBondContact OD1-N 3.39Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 HydrophobicContact CB-CD2 4.48Å; N380-L383 PolarHBondContact O-N 2.86Å; N380-L383 PolarHBondContact OD1-N 2.88Å; N380-M384 WeakPolarHBondContact O-CB 3.44Å; N380-M384 WeakPolarHBondContact O-CG 3.31Å; N380-M384 PolarHBondContact O-N 3Å
381	F	81.1	Confident	80.6	Confident	160 Å²	160	73 Å²	73	70%	0.702	38%	0.378	S	S	*	.	H	α-helix	trans	-65.5	-31	-178.3	-175.2	-94.5	0	0	0	113.7	S379 R385	S379-F381 PolarHBondContact O-N 3.46Å; F381-R385 WeakPolarHBondContact O-CB 3.4Å; F381-R385 PolarHBondContact O-N 3.39Å
382	Q	85.5	Confident	80.6	Confident	138 Å²	138	78.5 Å²	78.5	65%	0.645	40%	0.397	S	S	*	.	H	α-helix	trans	-68.6	-49.8	178.8	-65.7	173.1	-27	0	0	110.4	F229 N380 R385 A386	F229-Q382 HydrophobicContact CE1-CB 4.31Å; F229-Q382 HydrophobicContact CZ-CB 3.87Å; N380-Q382 VanDerWaalsContact C-N 3.34Å; N380-Q382 PolarHBondContact O-N 2.83Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.44Å; N380-Q382 PolarHBondContact OD1-N 3.39Å; Q382-R385 WeakPolarHBondContact O-CB 3.26Å; Q382-R385 PolarHBondContact O-N 2.84Å; Q382-A386 PolarHBondContact O-N 2.77Å
383	L	85.2	Confident	80.8	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.021	39%	0.385	C	S	.	.	H	α-helix	trans	-57.9	-49.4	173.6	166.6	55.5	0	0	0	111.6	F229 M231 M377 N380 R385 A386 M387	F229-L383 HydrophobicContact CB-CD1 3.81Å; F229-L383 HydrophobicContact CD1-CB 3.82Å; F229-L383 HydrophobicContact CD1-CD1 4.34Å; F229-L383 HydrophobicContact CD1-CG 4.49Å; F229-L383 HydrophobicContact CD2-CB 4.47Å; F229-L383 HydrophobicContact CD2-CD1 4.15Å; F229-L383 HydrophobicContact CE1-CB 3.91Å; F229-L383 HydrophobicContact CG-CB 4.13Å; F229-L383 HydrophobicContact CG-CD1 3.84Å; F229-L383 HydrophobicContact CG-CG 4.46Å; F229-L383 HydrophobicContact CZ-CB 4.3Å; M231-L383 HydrophobicContact CE-CD1 3.43Å; M231-L383 VanDerWaalsContact CE-CD1 3.43Å; M231-L383 HydrophobicContact CE-CD2 3.67Å; M231-L383 HydrophobicContact CE-CG 4.21Å; M231-L383 HydrophobicContact SD-CD1 4.1Å; M377-L383 HydrophobicContact CB-CD2 3.74Å; M377-L383 HydrophobicContact CG-CD2 4.12Å; M377-L383 WeakPolarHBondContact O-CD2 3.33Å; N380-L383 HydrophobicContact CB-CB 4.04Å; N380-L383 HydrophobicContact CB-CD2 4.48Å; N380-L383 PolarHBondContact O-N 2.86Å; N380-L383 PolarHBondContact OD1-N 2.88Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.39Å; L383-A386 PolarHBondContact O-N 2.89Å; L383-M387 HydrophobicContact CD1-CE 3.53Å; L383-M387 HydrophobicContact CD1-CG 4.05Å; L383-M387 HydrophobicContact CD1-SD 3.89Å; L383-M387 HydrophobicContact CD2-CE 4.44Å; L383-M387 HydrophobicContact CG-CE 3.62Å; L383-M387 PolarHBondContact O-N 2.84Å
384	M	85.6	Confident	81.1	Confident	70 Å²	70	80 Å²	80	35%	0.345	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-32.3	177.6	-72.1	-58.2	-55.1	0	0	112.4	L373 R378 N380 M387 S388	L373-M384 HydrophobicContact CD1-SD 3.86Å; R378-M384 WeakPolarHBondContact O-CG 3.37Å; N380-M384 WeakPolarHBondContact O-CB 3.44Å; N380-M384 WeakPolarHBondContact O-CG 3.31Å; N380-M384 PolarHBondContact O-N 3Å; M384-M387 HydrophobicContact SD-CE 3.5Å; M384-M387 VanDerWaalsContact SD-CE 3.5Å; M384-S388 WeakPolarHBondContact O-CB 3.25Å; M384-S388 PolarHBondContact O-N 3.08Å; M384-S388 PolarHBondContact O-OG 2.99Å
385	R	84.7	Confident	81.7	Confident	180 Å²	180	77.7 Å²	77.7	68%	0.679	39%	0.386	S	S	*	.	H	α-helix	trans	-67.3	-47.6	171.9	-179.6	-179.4	176.4	-170.1	-2.3	111.1	F381 Q382 L383 S388 S389	F381-R385 WeakPolarHBondContact O-CB 3.4Å; F381-R385 PolarHBondContact O-N 3.39Å; Q382-R385 WeakPolarHBondContact O-CB 3.26Å; Q382-R385 PolarHBondContact O-N 2.84Å; L383-R385 VanDerWaalsContact C-N 3.27Å; L383-R385 PolarHBondContact O-N 3.39Å; R385-S388 WeakPolarHBondContact CA-OG 3.04Å; R385-S388 WeakPolarHBondContact O-CB 3.39Å; R385-S388 PolarHBondContact O-N 2.86Å; R385-S388 PolarHBondContact O-OG 3.42Å; R385-S389 PolarHBondContact O-N 3.09Å
386	A	85.1	Confident	82.7	Confident	22 Å²	22	80.6 Å²	80.6	18%	0.182	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-47.1	178.7	0	0	0	0	0	112.2	F229 Q382 L383 S388 S389 Y390	F229-A386 HydrophobicContact CD2-CB 4.39Å; F229-A386 HydrophobicContact CE2-CB 3.97Å; Q382-A386 PolarHBondContact O-N 2.77Å; L383-A386 PolarHBondContact O-N 2.89Å; A386-S388 PolarHBondContact O-N 3.49Å; A386-S389 PolarHBondContact O-N 3.06Å; A386-S389 PolarHBondContact O-OG 3.43Å; A386-Y390 VanDerWaalsContact O-CD2 3.31Å; A386-Y390 WeakPolarHBondContact O-CD2 3.39Å
387	M	84.4	Confident	83.4	Confident	8 Å²	8	78.7 Å²	78.7	4%	0.039	38%	0.375	C	S	.	.	H	α-helix	trans	-66.2	-27.3	172.6	-70.1	-177.9	-60.9	0	0	112.6	I226 M231 V258 L373 L383 M384 T391	I226-M387 HydrophobicContact CD1-CG 3.89Å; M231-M387 HydrophobicContact SD-SD 4.32Å; V258-M387 HydrophobicContact CG1-SD 4.08Å; V258-M387 HydrophobicContact CG2-SD 4.12Å; L373-M387 HydrophobicContact CD1-CE 3.48Å; L373-M387 VanDerWaalsContact CD1-CE 3.48Å; L373-M387 HydrophobicContact CD1-SD 4.12Å; L373-M387 HydrophobicContact CD2-CE 3.79Å; L373-M387 HydrophobicContact CD2-SD 3.87Å; L373-M387 HydrophobicContact CG-CE 4.27Å; L383-M387 HydrophobicContact CD1-CE 3.53Å; L383-M387 HydrophobicContact CD1-CG 4.05Å; L383-M387 HydrophobicContact CD1-SD 3.89Å; L383-M387 HydrophobicContact CD2-CE 4.44Å; L383-M387 HydrophobicContact CG-CE 3.62Å; L383-M387 PolarHBondContact O-N 2.84Å; M384-M387 HydrophobicContact SD-CE 3.5Å; M384-M387 VanDerWaalsContact SD-CE 3.5Å; M387-T391 WeakPolarHBondContact O-CB 3.49Å; M387-T391 WeakPolarHBondContact O-CG2 3.41Å; M387-T391 PolarHBondContact O-N 3.44Å; M387-T391 PolarHBondContact O-OG1 2.92Å
388	S	81.8	Confident	83.9	Confident	19 Å²	19	78 Å²	78	13%	0.133	37%	0.37	C	S	.	.	H	α-helix	trans	-71.3	-27.1	-179.6	77.1	0	0	0	0	114.2	M384 R385 A386 Y390 T391 R392	M384-S388 WeakPolarHBondContact O-CB 3.25Å; M384-S388 PolarHBondContact O-N 3.08Å; M384-S388 PolarHBondContact O-OG 2.99Å; R385-S388 WeakPolarHBondContact CA-OG 3.04Å; R385-S388 WeakPolarHBondContact O-CB 3.39Å; R385-S388 PolarHBondContact O-N 2.86Å; R385-S388 PolarHBondContact O-OG 3.42Å; A386-S388 PolarHBondContact O-N 3.49Å; S388-Y390 VanDerWaalsContact C-N 3.35Å; S388-T391 WeakPolarHBondContact CA-OG1 3.43Å; S388-R392 WeakPolarHBondContact O-CB 3.46Å; S388-R392 WeakPolarHBondContact O-CG 3.34Å; S388-R392 PolarHBondContact O-N 2.81Å
389	S	80.1	Confident	84.4	Confident	85 Å²	85	70.3 Å²	70.3	59%	0.594	34%	0.342	S	S	*	.	H	α-helix	trans	-65.8	-39.2	175.9	59.5	0	0	0	0	111.7	R385 A386	R385-S389 PolarHBondContact O-N 3.09Å; A386-S389 PolarHBondContact O-N 3.06Å; A386-S389 PolarHBondContact O-OG 3.43Å
390	Y	78.6	Confident	85.2	Confident	103 Å²	103	68.7 Å²	68.7	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-77.4	-38.6	176.4	-58.1	-69.6	0	0	0	112.8	I224 I226 A386 S388	I224-Y390 HydrophobicContact CD1-CD1 3.84Å; I224-Y390 HydrophobicContact CD1-CE1 4.41Å; I224-Y390 HydrophobicContact CD1-CG 4.35Å; I224-Y390 HydrophobicContact CG2-CD1 4.07Å; I224-Y390 HydrophobicContact CG2-CD2 4.48Å; I224-Y390 HydrophobicContact CG2-CE1 3.86Å; I224-Y390 HydrophobicContact CG2-CE2 4.28Å; I224-Y390 HydrophobicContact CG2-CG 4.38Å; I226-Y390 HydrophobicContact CD1-CD2 4.07Å; I226-Y390 HydrophobicContact CD1-CE2 4.18Å; I226-Y390 HydrophobicContact CG1-CE2 4.32Å; A386-Y390 VanDerWaalsContact O-CD2 3.31Å; A386-Y390 WeakPolarHBondContact O-CD2 3.39Å; S388-Y390 VanDerWaalsContact C-N 3.35Å
391	T	83.1	Confident	85.5	Confident	49 Å²	49	71.3 Å²	71.3	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-87.3	-27	-173.7	56.5	0	0	0	0	115.1	L233 H256 M387 S388 M393	L233-T391 HydrophobicContact CD1-CG2 3.87Å; H256-T391 HydrophobicContact CB-CG2 4.2Å; M387-T391 WeakPolarHBondContact O-CB 3.49Å; M387-T391 WeakPolarHBondContact O-CG2 3.41Å; M387-T391 PolarHBondContact O-N 3.44Å; M387-T391 PolarHBondContact O-OG1 2.92Å; S388-T391 WeakPolarHBondContact CA-OG1 3.43Å; T391-M393 PolarHBondContact O-N 2.87Å
392	R	84.3	Confident	86	Confident	135 Å²	135	63.7 Å²	63.7	51%	0.509	30%	0.298	S	S	.	.			trans	-89.7	68.7	-178.8	-62.7	-176.2	-175.7	164	10.1	112.8	S388	S388-R392 WeakPolarHBondContact O-CB 3.46Å; S388-R392 WeakPolarHBondContact O-CG 3.34Å; S388-R392 PolarHBondContact O-N 2.81Å
393	M	85.5	Confident	86.2	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.025	29%	0.289	C	S	.	.			trans	-70.6	137.6	177.4	-61.7	170.9	-63.6	0	0	112.5	I254 T391 Q397 R398 R401 G769 T770	I254-M393 HydrophobicContact CB-CE 3.72Å; I254-M393 HydrophobicContact CG1-CE 4.28Å; I254-M393 HydrophobicContact CG2-CE 3.68Å; I254-M393 HydrophobicContact CG2-SD 4.35Å; T391-M393 PolarHBondContact O-N 2.87Å; M393-Q397 HydrophobicContact CB-CB 4.33Å; M393-R398 HydrophobicContact CB-CB 4.48Å; M393-R401 WeakPolarHBondContact SD-CD 3.18Å; M393-R401 PolarHBondContact SD-NE 2.81Å; M393-G769 CarbonylContact O-C 3.52Å; M393-G769 VanDerWaalsContact O-CA 3.3Å; M393-G769 WeakPolarHBondContact O-CA 3.43Å; M393-T770 PolarHBondContact O-N 3.03Å; M393-T770 PolarHBondContact O-OG1 3.41Å
394	N	87.8	Confident	86.4	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.444	31%	0.31	S	S	.	.			trans	-64.4	146.3	166.5	177.3	-61.7	0	0	0	110.2	K396 Q397 R398	N394-K396 VanDerWaalsContact C-N 3.33Å; N394-K396 PolarHBondContact O-N 2.88Å; N394-K396 PolarHBondContact OD1-N 3.3Å; N394-Q397 HydrophobicContact CB-CB 4.45Å; N394-Q397 HydrophobicContact CB-CG 4.25Å; N394-Q397 WeakPolarHBondContact O-CB 3.45Å; N394-Q397 PolarHBondContact O-N 2.72Å; N394-R398 PolarHBondContact O-N 2.89Å
395	P	89.8	Confident	86.6	Confident	2 Å²	2	62.1 Å²	62.1	1%	0.013	29%	0.294	C	S	.	.	H	α-helix	trans	-32.3	-54.1	168.4	-39.6	40.2	0	0	0	116.9	R398 T399 F735 G738 N740	P395-R398 PolarHBondContact O-N 2.98Å; P395-T399 PolarHBondContact O-N 3.36Å; P395-T399 PolarHBondContact O-OG1 3.46Å; P395-F735 HydrophobicContact CB-CD1 3.76Å; P395-F735 HydrophobicContact CB-CE1 4.13Å; P395-F735 HydrophobicContact CG-CD1 4.31Å; P395-G738 WeakPolarHBondContact CB-O 3.41Å; P395-N740 HydrophobicContact CG-CB 4.27Å; P395-N740 VanDerWaalsContact CG-CG 3.46Å; P395-N740 WeakPolarHBondContact CG-OD1 3.28Å
396	K	88.4	Confident	87	Confident	140 Å²	140	53.8 Å²	53.8	61%	0.609	26%	0.263	S	S	*	.	H	α-helix	trans	-60.8	-52.3	179	-178.3	172.3	-179.3	179.3	0	111.4	N394 R398 T399 D400 G738	N394-K396 VanDerWaalsContact C-N 3.33Å; N394-K396 PolarHBondContact O-N 2.88Å; N394-K396 PolarHBondContact OD1-N 3.3Å; K396-R398 PolarHBondContact O-N 2.82Å; K396-R398 VanDerWaalsContact O-N 3.15Å; K396-T399 PolarHBondContact O-N 2.91Å; K396-T399 VanDerWaalsContact O-N 3.1Å; K396-D400 WeakPolarHBondContact CG-OD2 3.28Å; K396-D400 VanDerWaalsContact O-CG 3.26Å; K396-D400 PolarHBondContact O-N 2.87Å; K396-G738 PolarHBondContact N-O 2.9Å
397	Q	88.9	Confident	87.4	Confident	99 Å²	99	58.3 Å²	58.3	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-27.4	176.9	-66.5	176.2	-33.2	0	0	114.1	M393 N394 R401	M393-Q397 HydrophobicContact CB-CB 4.33Å; N394-Q397 HydrophobicContact CB-CB 4.45Å; N394-Q397 HydrophobicContact CB-CG 4.25Å; N394-Q397 WeakPolarHBondContact O-CB 3.45Å; N394-Q397 PolarHBondContact O-N 2.72Å; Q397-R401 WeakPolarHBondContact O-CD 3.44Å; Q397-R401 WeakPolarHBondContact O-CG 3.45Å; Q397-R401 PolarHBondContact O-NH1 3.39Å
398	R	90	Very high	87.8	Confident	14 Å²	14	62.1 Å²	62.1	5%	0.053	29%	0.294	C	S	.	.	H	α-helix	trans	-75.7	-54.3	172.3	-174.1	177.2	-63.1	-84.6	-5.3	109.9	E253 I254 M393 N394 P395 K396 D400 R401 L402 F735 T770	E253-R398 IonicContact OE1-CZ 2.67Å; E253-R398 IonicContact OE1-NH1 3.34Å; E253-R398 PolarHBondContact OE1-NH1 3.04Å; E253-R398 IonicContact OE2-CZ 2.85Å; E253-R398 IonicContact OE2-NE 2.66Å; E253-R398 IonicContact OE2-NH1 3.99Å; E253-R398 PolarHBondContact OE2-NH1 3.33Å; I254-R398 HydrophobicContact CG1-CG 4.26Å; I254-R398 PolarHBondContact O-NH1 2.98Å; M393-R398 HydrophobicContact CB-CB 4.48Å; N394-R398 PolarHBondContact O-N 2.89Å; P395-R398 PolarHBondContact O-N 2.98Å; K396-R398 PolarHBondContact O-N 2.82Å; K396-R398 VanDerWaalsContact O-N 3.15Å; R398-D400 VanDerWaalsContact C-N 3.26Å; R398-D400 PolarHBondContact O-N 3.12Å; R398-R401 WeakPolarHBondContact O-CA 3.37Å; R398-R401 WeakPolarHBondContact O-CB 3.48Å; R398-R401 PolarHBondContact O-N 2.6Å; R398-L402 HydrophobicContact CG-CD1 3.68Å; R398-L402 WeakPolarHBondContact O-CD1 3.32Å; R398-L402 PolarHBondContact O-N 3Å; R398-F735 HydrophobicContact CG-CZ 4.35Å; R398-T770 PolarHBondContact NE-OG1 3.01Å; R398-T770 PolarHBondContact NH2-OG1 3.46Å
399	T	88.4	Confident	88.3	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-53.3	-42.6	179.4	-51.8	0	0	0	0	112.1	P395 K396 R401 L402 R403	P395-T399 PolarHBondContact O-N 3.36Å; P395-T399 PolarHBondContact O-OG1 3.46Å; K396-T399 PolarHBondContact O-N 2.91Å; K396-T399 VanDerWaalsContact O-N 3.1Å; T399-R401 PolarHBondContact O-N 3.37Å; T399-L402 PolarHBondContact O-N 3.06Å; T399-L402 VanDerWaalsContact O-N 3.16Å; T399-R403 WeakPolarHBondContact O-CG 3.46Å; T399-R403 PolarHBondContact O-N 3.29Å
400	D	88.8	Confident	88.9	Confident	63 Å²	63	59.3 Å²	59.3	34%	0.337	27%	0.27	S	S	.	.	H	α-helix	trans	-67.7	-33.1	179.1	-61.8	-28.6	0	0	0	112.5	K396 R398 R403 A404	K396-D400 WeakPolarHBondContact CG-OD2 3.28Å; K396-D400 VanDerWaalsContact O-CG 3.26Å; K396-D400 PolarHBondContact O-N 2.87Å; R398-D400 VanDerWaalsContact C-N 3.26Å; R398-D400 PolarHBondContact O-N 3.12Å; D400-R403 PolarHBondContact O-N 3.45Å; D400-R403 IonicContact OD1-CZ 3.78Å; D400-R403 IonicContact OD1-NH1 3.36Å; D400-R403 PolarHBondContact OD1-NH1 2.68Å; D400-A404 WeakPolarHBondContact O-CB 3.45Å; D400-A404 PolarHBondContact O-N 3.05Å
401	R	89	Confident	89.6	Confident	114 Å²	114	59.1 Å²	59.1	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-69.4	-34.6	170.7	-76.6	171	174.5	72.8	-1.1	112.8	I254 M393 Q397 R398 T399 A404 F405	I254-R401 HydrophobicContact CD1-CB 3.97Å; I254-R401 HydrophobicContact CG1-CB 4.19Å; M393-R401 WeakPolarHBondContact SD-CD 3.18Å; M393-R401 PolarHBondContact SD-NE 2.81Å; Q397-R401 WeakPolarHBondContact O-CD 3.44Å; Q397-R401 WeakPolarHBondContact O-CG 3.45Å; Q397-R401 PolarHBondContact O-NH1 3.39Å; R398-R401 WeakPolarHBondContact O-CA 3.37Å; R398-R401 WeakPolarHBondContact O-CB 3.48Å; R398-R401 PolarHBondContact O-N 2.6Å; T399-R401 PolarHBondContact O-N 3.37Å; R401-A404 PolarHBondContact O-N 2.9Å; R401-F405 WeakPolarHBondContact O-CB 3.44Å; R401-F405 PolarHBondContact O-N 2.9Å
402	L	90.4	Very high	90.2	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-39.8	174.3	-83.4	81	0	0	0	111.6	N102 F104 T252 I254 R398 T399 F405 N406	N102-L402 HydrophobicContact CB-CD2 3.48Å; N102-L402 VanDerWaalsContact CB-CD2 3.48Å; F104-L402 HydrophobicContact CZ-CB 4.17Å; T252-L402 VanDerWaalsContact O-CD2 3.32Å; T252-L402 WeakPolarHBondContact O-CD2 3.02Å; I254-L402 HydrophobicContact CD1-CD1 3.77Å; I254-L402 HydrophobicContact CD1-CG 4.36Å; I254-L402 HydrophobicContact CG1-CD1 3.62Å; R398-L402 HydrophobicContact CG-CD1 3.68Å; R398-L402 WeakPolarHBondContact O-CD1 3.32Å; R398-L402 PolarHBondContact O-N 3Å; T399-L402 PolarHBondContact O-N 3.06Å; T399-L402 VanDerWaalsContact O-N 3.16Å; L402-F405 PolarHBondContact O-N 3Å; L402-N406 PolarHBondContact O-N 3.21Å
403	R	90.1	Very high	90.7	Very high	119 Å²	119	55.6 Å²	55.6	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-60.1	-46.7	171.3	-70.4	170.9	176.7	144.9	-3.5	111.1	T399 D400 F405 N406 H407	T399-R403 WeakPolarHBondContact O-CG 3.46Å; T399-R403 PolarHBondContact O-N 3.29Å; D400-R403 PolarHBondContact O-N 3.45Å; D400-R403 IonicContact OD1-CZ 3.78Å; D400-R403 IonicContact OD1-NH1 3.36Å; D400-R403 PolarHBondContact OD1-NH1 2.68Å; R403-F405 VanDerWaalsContact C-N 3.34Å; R403-F405 PolarHBondContact O-N 3.11Å; R403-N406 PolarHBondContact O-N 2.67Å; R403-H407 WeakPolarHBondContact O-CB 3.47Å; R403-H407 PolarHBondContact O-N 2.67Å
404	A	90.5	Very high	91.1	Very high	58 Å²	58	60.9 Å²	60.9	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-61.6	-38.5	176.5	0	0	0	0	0	112.9	D400 R401 R408	D400-A404 WeakPolarHBondContact O-CB 3.45Å; D400-A404 PolarHBondContact O-N 3.05Å; R401-A404 PolarHBondContact O-N 2.9Å; A404-R408 WeakPolarHBondContact O-CB 3.38Å; A404-R408 PolarHBondContact O-N 3.1Å
405	F	89.9	Confident	91.3	Very high	2 Å²	2	57 Å²	57	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-64.2	-49.1	173.2	172.4	-100.2	0	0	0	112.5	M205 L208 Y237 T239 T252 R401 L402 R403 H407 R408 L409	M205-F405 HydrophobicContact CE-CE1 4.31Å; M205-F405 HydrophobicContact CE-CZ 3.77Å; M205-F405 HydrophobicContact SD-CE2 4.46Å; M205-F405 HydrophobicContact SD-CZ 3.86Å; L208-F405 HydrophobicContact CD1-CD2 4.46Å; L208-F405 HydrophobicContact CD1-CE2 3.67Å; L208-F405 HydrophobicContact CD1-CZ 4.24Å; Y237-F405 HydrophobicContact CD1-CB 4.15Å; Y237-F405 HydrophobicContact CD1-CD1 4.43Å; Y237-F405 AromaticContact CD1-CD2 3.49Å; Y237-F405 HydrophobicContact CD1-CD2 3.49Å; Y237-F405 VanDerWaalsContact CD1-CD2 3.49Å; Y237-F405 AromaticContact CD1-CE2 3.92Å; Y237-F405 HydrophobicContact CD1-CE2 3.92Å; Y237-F405 AromaticContact CD1-CG 3.76Å; Y237-F405 HydrophobicContact CD1-CG 3.76Å; Y237-F405 AromaticContact CD2-CD2 3.66Å; Y237-F405 HydrophobicContact CD2-CD2 3.66Å; Y237-F405 AromaticContact CD2-CE2 3.66Å; Y237-F405 HydrophobicContact CD2-CE2 3.66Å; Y237-F405 HydrophobicContact CE1-CB 3.55Å; Y237-F405 AromaticContact CE1-CD2 3.43Å; Y237-F405 HydrophobicContact CE1-CD2 3.43Å; Y237-F405 VanDerWaalsContact CE1-CD2 3.43Å; Y237-F405 HydrophobicContact CE1-CE2 4.28Å; Y237-F405 AromaticContact CE1-CG 3.64Å; Y237-F405 HydrophobicContact CE1-CG 3.64Å; Y237-F405 AromaticContact CE2-CD2 3.61Å; Y237-F405 HydrophobicContact CE2-CD2 3.61Å; Y237-F405 HydrophobicContact CE2-CE2 4.06Å; Y237-F405 AromaticContact CG-CD2 3.61Å; Y237-F405 HydrophobicContact CG-CD2 3.61Å; Y237-F405 AromaticContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CE2 3.6Å; Y237-F405 HydrophobicContact CG-CG 4.31Å; Y237-F405 HydrophobicContact CG-CZ 4.29Å; Y237-F405 AromaticContact CZ-CD2 3.5Å; Y237-F405 VanDerWaalsContact CZ-CD2 3.5Å; T239-F405 HydrophobicContact CG2-CZ 4.27Å; T252-F405 HydrophobicContact CG2-CD1 3.82Å; T252-F405 HydrophobicContact CG2-CE1 3.71Å; T252-F405 HydrophobicContact CG2-CG 4.48Å; T252-F405 HydrophobicContact CG2-CZ 4.29Å; R401-F405 WeakPolarHBondContact O-CB 3.44Å; R401-F405 PolarHBondContact O-N 2.9Å; L402-F405 PolarHBondContact O-N 3Å; R403-F405 VanDerWaalsContact C-N 3.34Å; R403-F405 PolarHBondContact O-N 3.11Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 2.7Å; F405-R408 PolarHBondContact O-N 3.19Å; F405-L409 HydrophobicContact CE1-CD2 4.3Å; F405-L409 HydrophobicContact CZ-CD2 4.44Å; F405-L409 WeakPolarHBondContact O-CB 3.21Å; F405-L409 PolarHBondContact O-N 3.04Å
406	N	92.4	Very high	91.5	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-59.7	-43.4	177.2	-169	17.8	0	0	0	110.7	F104 L402 R403 L409 Q410 L426 D427 K428	F104-N406 HydrophobicContact CD1-CB 4.37Å; F104-N406 VanDerWaalsContact CD1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CD1-ND2 3.42Å; F104-N406 HydrophobicContact CE1-CB 3.81Å; F104-N406 VanDerWaalsContact CE1-ND2 3.26Å; F104-N406 WeakPolarHBondContact CE1-ND2 3.3Å; F104-N406 HydrophobicContact CE2-CB 4.28Å; F104-N406 HydrophobicContact CZ-CB 3.74Å; L402-N406 PolarHBondContact O-N 3.21Å; R403-N406 PolarHBondContact O-N 2.67Å; N406-L409 PolarHBondContact O-N 2.74Å; N406-Q410 PolarHBondContact ND2-NE2 3Å; N406-Q410 WeakPolarHBondContact O-CB 3.27Å; N406-Q410 WeakPolarHBondContact O-CG 3.4Å; N406-Q410 PolarHBondContact O-N 3.21Å; N406-Q410 PolarHBondContact OD1-NE2 3.43Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.37Å; N406-D427 PolarHBondContact ND2-O 2.81Å; N406-K428 WeakPolarHBondContact ND2-CA 3.48Å; N406-K428 PolarHBondContact ND2-O 2.72Å
407	H	93.6	Very high	91.7	Very high	117 Å²	117	57.5 Å²	57.5	54%	0.542	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-43.9	176.4	-167	54.8	0	0	0	112.4	R403 F405 L409 Q410 N411	R403-H407 WeakPolarHBondContact O-CB 3.47Å; R403-H407 PolarHBondContact O-N 2.67Å; F405-H407 VanDerWaalsContact C-N 3.3Å; F405-H407 PolarHBondContact O-N 2.7Å; H407-L409 VanDerWaalsContact C-N 3.32Å; H407-L409 PolarHBondContact O-N 2.77Å; H407-Q410 PolarHBondContact O-N 2.93Å; H407-N411 PolarHBondContact CD2-ND2 2.9Å; H407-N411 PolarHBondContact CE1-ND2 3.12Å; H407-N411 PolarHBondContact CE1-OD1 2.8Å; H407-N411 PolarHBondContact ND1-OD1 3.26Å; H407-N411 PolarHBondContact NE2-ND2 3.2Å; H407-N411 VanDerWaalsContact O-CB 3.31Å; H407-N411 WeakPolarHBondContact O-CB 3.32Å; H407-N411 PolarHBondContact O-N 3.07Å; H407-N411 PolarHBondContact O-OD1 2.98Å
408	R	92.4	Very high	91.8	Very high	88 Å²	88	53.4 Å²	53.4	33%	0.332	26%	0.26	S	S	.	.	H	α-helix	trans	-57.8	-44.3	172.3	-174.8	-174.7	168.1	164.9	-9.7	111.2	L208 D219 A404 F405 N411 T412	L208-R408 HydrophobicContact CD2-CG 3.82Å; L208-R408 PolarHBondContact O-NH2 3.38Å; D219-R408 IonicContact OD2-CZ 3.67Å; D219-R408 IonicContact OD2-NH1 3.98Å; D219-R408 PolarHBondContact OD2-NH1 3.19Å; D219-R408 IonicContact OD2-NH2 3.54Å; D219-R408 PolarHBondContact OD2-NH2 2.76Å; A404-R408 WeakPolarHBondContact O-CB 3.38Å; A404-R408 PolarHBondContact O-N 3.1Å; F405-R408 PolarHBondContact O-N 3.19Å; R408-N411 PolarHBondContact O-N 3.23Å; R408-T412 WeakPolarHBondContact O-CB 3.23Å; R408-T412 PolarHBondContact O-N 3.39Å; R408-T412 VanDerWaalsContact O-N 3.16Å; R408-T412 PolarHBondContact O-OG1 3.33Å
409	L	91.5	Very high	91.8	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-35.3	179.7	-173.9	64.3	0	0	0	113	M205 L208 L250 F405 N406 H407 V416 L426	M205-L409 HydrophobicContact CE-CD1 4.36Å; M205-L409 HydrophobicContact CE-CD2 3.68Å; M205-L409 HydrophobicContact SD-CD1 4.12Å; M205-L409 HydrophobicContact SD-CD2 4.41Å; L208-L409 HydrophobicContact CD1-CD1 3.93Å; L208-L409 HydrophobicContact CD2-CB 4.32Å; L208-L409 HydrophobicContact CD2-CD1 4.06Å; L208-L409 HydrophobicContact CG-CD1 3.9Å; L250-L409 HydrophobicContact CD2-CD2 4.43Å; F405-L409 HydrophobicContact CE1-CD2 4.3Å; F405-L409 HydrophobicContact CZ-CD2 4.44Å; F405-L409 WeakPolarHBondContact O-CB 3.21Å; F405-L409 PolarHBondContact O-N 3.04Å; N406-L409 PolarHBondContact O-N 2.74Å; H407-L409 VanDerWaalsContact C-N 3.32Å; H407-L409 PolarHBondContact O-N 2.77Å; L409-V416 WeakPolarHBondContact O-CG2 3.41Å; L409-L426 HydrophobicContact CD2-CD2 3.57Å; L409-L426 HydrophobicContact CG-CD2 4.27Å
410	Q	92.8	Very high	92	Very high	43 Å²	43	62 Å²	62	20%	0.201	29%	0.293	C	S	.	.	H	α-helix	trans	-82.2	-18.2	176.1	-67.5	-166.4	31.8	0	0	114.6	N406 H407 V416 L426 K428	N406-Q410 PolarHBondContact ND2-NE2 3Å; N406-Q410 WeakPolarHBondContact O-CB 3.27Å; N406-Q410 WeakPolarHBondContact O-CG 3.4Å; N406-Q410 PolarHBondContact O-N 3.21Å; N406-Q410 PolarHBondContact OD1-NE2 3.43Å; H407-Q410 PolarHBondContact O-N 2.93Å; Q410-V416 VanDerWaalsContact O-CG2 3.23Å; Q410-V416 WeakPolarHBondContact O-CG2 3.49Å; Q410-L426 PolarHBondContact NE2-O 3.22Å; Q410-K428 VanDerWaalsContact OE1-CE 3.25Å
411	N	94.9	Very high	92	Very high	99 Å²	99	60 Å²	60	53%	0.529	28%	0.282	S	S	.	.	H	α-helix	trans	-92.6	-9.9	174.5	-64.5	-1.2	0	0	0	112.8	H407 R408 P413	H407-N411 PolarHBondContact CD2-ND2 2.9Å; H407-N411 PolarHBondContact CE1-ND2 3.12Å; H407-N411 PolarHBondContact CE1-OD1 2.8Å; H407-N411 PolarHBondContact ND1-OD1 3.26Å; H407-N411 PolarHBondContact NE2-ND2 3.2Å; H407-N411 VanDerWaalsContact O-CB 3.31Å; H407-N411 WeakPolarHBondContact O-CB 3.32Å; H407-N411 PolarHBondContact O-N 3.07Å; H407-N411 PolarHBondContact O-OD1 2.98Å; R408-N411 PolarHBondContact O-N 3.23Å; N411-P413 WeakPolarHBondContact O-CD 3.45Å
412	T	95.6	Very high	92.1	Very high	22 Å²	22	54.6 Å²	54.6	14%	0.135	26%	0.262	C	S	.	.			trans	-88.8	108.1	-179.1	-60.8	0	0	0	0	110	G207 R408 E414 S415 V416	G207-T412 WeakPolarHBondContact O-CG2 3.28Å; R408-T412 WeakPolarHBondContact O-CB 3.23Å; R408-T412 PolarHBondContact O-N 3.39Å; R408-T412 VanDerWaalsContact O-N 3.16Å; R408-T412 PolarHBondContact O-OG1 3.33Å; T412-E414 VanDerWaalsContact C-N 3.29Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.46Å; T412-E414 PolarHBondContact O-N 2.95Å; T412-S415 PolarHBondContact O-N 3.19Å; T412-S415 VanDerWaalsContact O-N 3.14Å; T412-V416 WeakPolarHBondContact O-CG2 3.32Å; T412-V416 PolarHBondContact O-N 3.07Å
413	P	94.6	Very high	92.2	Very high	88 Å²	88	57 Å²	57	57%	0.571	27%	0.274	S	S	*	.	H	α-helix	trans	-60.5	-36	-169.2	-25.5	36.4	0	0	0	113.8	N411 K417	N411-P413 WeakPolarHBondContact O-CD 3.45Å; P413-K417 WeakPolarHBondContact O-CB 3.4Å; P413-K417 PolarHBondContact O-N 2.88Å
414	E	93.1	Very high	92.2	Very high	116 Å²	116	51.5 Å²	51.5	54%	0.542	25%	0.254	S	S	.	.	H	α-helix	trans	-67.1	-41.5	179.8	-57.3	70.1	-153.5	0	0	111.1	T412 V418	T412-E414 VanDerWaalsContact C-N 3.29Å; T412-E414 WeakPolarHBondContact CG2-OE2 3.46Å; T412-E414 PolarHBondContact O-N 2.95Å; E414-V418 WeakPolarHBondContact O-CG2 3.39Å; E414-V418 PolarHBondContact O-N 2.84Å
415	S	92.7	Very high	92.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.6	-43.8	177.7	-66.2	0	0	0	0	112	S204 G207 L208 T412	S204-S415 WeakPolarHBondContact O-CA 3.42Å; S204-S415 VanDerWaalsContact O-CB 3.31Å; S204-S415 WeakPolarHBondContact O-CB 3.4Å; S204-S415 PolarHBondContact O-OG 3.23Å; S204-S415 PolarHBondContact OG-O 3.39Å; G207-S415 WeakPolarHBondContact CA-OG 3.41Å; L208-S415 PolarHBondContact N-OG 2.93Å; T412-S415 PolarHBondContact O-N 3.19Å; T412-S415 VanDerWaalsContact O-N 3.14Å
416	V	93.8	Very high	92.5	Very high	22 Å²	22	54.5 Å²	54.5	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-66.8	-42.7	177.5	173.2	0	0	0	0	111.3	L409 Q410 T412 V418 L419 R420	L409-V416 WeakPolarHBondContact O-CG2 3.41Å; Q410-V416 VanDerWaalsContact O-CG2 3.23Å; Q410-V416 WeakPolarHBondContact O-CG2 3.49Å; T412-V416 WeakPolarHBondContact O-CG2 3.32Å; T412-V416 PolarHBondContact O-N 3.07Å; V416-V418 VanDerWaalsContact C-N 3.32Å; V416-V418 PolarHBondContact O-N 3Å; V416-L419 PolarHBondContact O-N 3.15Å; V416-L419 VanDerWaalsContact O-N 3.09Å; V416-R420 HydrophobicContact CG1-CG 4.1Å; V416-R420 VanDerWaalsContact CG1-NE 3.34Å; V416-R420 PolarHBondContact O-N 2.82Å
417	K	91.8	Very high	92.6	Very high	131 Å²	131	55.9 Å²	55.9	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-54.3	-49.6	177.4	178	169.6	179.7	174.5	0	110.5	P413 L419 R420 D421	P413-K417 WeakPolarHBondContact O-CB 3.4Å; P413-K417 PolarHBondContact O-N 2.88Å; K417-L419 PolarHBondContact O-N 3.31Å; K417-L419 VanDerWaalsContact O-N 3.17Å; K417-R420 PolarHBondContact O-N 2.86Å; K417-D421 WeakPolarHBondContact CG-OD2 3.43Å; K417-D421 VanDerWaalsContact O-CB 3.24Å; K417-D421 WeakPolarHBondContact O-CB 3.36Å; K417-D421 PolarHBondContact O-N 2.9Å
418	V	91.2	Very high	92.3	Very high	13 Å²	13	57.3 Å²	57.3	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-30.7	179.3	173.8	0	0	0	0	113.6	I200 R203 E414 V416	I200-V418 HydrophobicContact CG2-CG1 4.46Å; R203-V418 HydrophobicContact CB-CG1 3.91Å; R203-V418 HydrophobicContact CG-CG1 3.81Å; R203-V418 HydrophobicContact CG-CG2 3.92Å; E414-V418 WeakPolarHBondContact O-CG2 3.39Å; E414-V418 PolarHBondContact O-N 2.84Å; V416-V418 VanDerWaalsContact C-N 3.32Å; V416-V418 PolarHBondContact O-N 3Å
419	L	91.1	Very high	92	Very high	13 Å²	13	59.2 Å²	59.2	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-78.1	-46	175.7	-63.3	176.1	0	0	0	111.5	L106 I200 V416 K417 D421 W422 N423 M424 L426	L106-L419 HydrophobicContact CD2-CD2 4.4Å; I200-L419 HydrophobicContact CG2-CD2 4.27Å; V416-L419 PolarHBondContact O-N 3.15Å; V416-L419 VanDerWaalsContact O-N 3.09Å; K417-L419 PolarHBondContact O-N 3.31Å; K417-L419 VanDerWaalsContact O-N 3.17Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.88Å; L419-W422 CarbonylContact O-C 3.49Å; L419-W422 PolarHBondContact O-N 2.98Å; L419-W422 VanDerWaalsContact O-N 3.08Å; L419-N423 PolarHBondContact O-N 3.17Å; L419-M424 CarbonylContact C-O 3.6Å; L419-M424 PolarHBondContact O-N 2.92Å; L419-M424 VanDerWaalsContact O-O 3.13Å; L419-L426 HydrophobicContact CD1-CB 4.24Å
420	R	91.4	Very high	91.9	Very high	185 Å²	185	60 Å²	60	70%	0.698	29%	0.292	S	S	*	.	H	α-helix	trans	-60.4	-39.9	175.3	-69.4	-176.9	-176.4	167.9	4.5	112.5	V416 K417 W422 N423	V416-R420 HydrophobicContact CG1-CG 4.1Å; V416-R420 VanDerWaalsContact CG1-NE 3.34Å; V416-R420 PolarHBondContact O-N 2.82Å; K417-R420 PolarHBondContact O-N 2.86Å; R420-W422 PolarHBondContact O-N 3.44Å; R420-N423 PolarHBondContact O-N 3.09Å
421	D	90.3	Very high	91.9	Very high	21 Å²	21	59 Å²	59	11%	0.112	29%	0.289	C	S	.	.	H	α-helix	trans	-53.7	-37	175	-74.4	-12.9	0	0	0	110.9	S144 G145 K417 L419	S144-D421 PolarHBondContact OG-O 3.34Å; S144-D421 VanDerWaalsContact OG-O 3.11Å; G145-D421 VanDerWaalsContact CA-O 3.24Å; G145-D421 WeakPolarHBondContact CA-O 3.12Å; G145-D421 PolarHBondContact N-O 3.48Å; K417-D421 WeakPolarHBondContact CG-OD2 3.43Å; K417-D421 VanDerWaalsContact O-CB 3.24Å; K417-D421 WeakPolarHBondContact O-CB 3.36Å; K417-D421 PolarHBondContact O-N 2.9Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.88Å
422	W	91.1	Very high	91.8	Very high	1 Å²	1	58.9 Å²	58.9	0%	0.004	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	11.2	176.9	-80.4	81.4	0	0	0	114.4	W112 I114 L147 F154 T156 V196 I200 L419 R420 M424	W112-W422 HydrophobicContact CZ2-CE3 4.41Å; W112-W422 PolarHBondContact NE1-O 3.14Å; I114-W422 HydrophobicContact CG1-CZ3 4.33Å; L147-W422 HydrophobicContact CB-CZ2 4.05Å; L147-W422 HydrophobicContact CD1-CH2 4.25Å; L147-W422 HydrophobicContact CD1-CZ2 3.78Å; L147-W422 HydrophobicContact CG-CZ2 3.75Å; F154-W422 HydrophobicContact CB-CH2 4.15Å; F154-W422 WeakPolarHBondContact O-CH2 3.27Å; T156-W422 HydrophobicContact CG2-CE3 3.7Å; T156-W422 HydrophobicContact CG2-CZ3 4.13Å; V196-W422 HydrophobicContact CG1-CH2 4.02Å; V196-W422 HydrophobicContact CG1-CZ3 4.11Å; I200-W422 HydrophobicContact CD1-CB 4.47Å; I200-W422 HydrophobicContact CD1-CD2 3.43Å; I200-W422 VanDerWaalsContact CD1-CD2 3.43Å; I200-W422 HydrophobicContact CD1-CE3 3.42Å; I200-W422 VanDerWaalsContact CD1-CE3 3.42Å; I200-W422 HydrophobicContact CD1-CG 3.91Å; I200-W422 HydrophobicContact CD1-CH2 4.26Å; I200-W422 HydrophobicContact CD1-CZ2 4.27Å; I200-W422 HydrophobicContact CD1-CZ3 3.86Å; I200-W422 HydrophobicContact CG1-CD2 3.76Å; I200-W422 HydrophobicContact CG1-CE3 4.21Å; I200-W422 HydrophobicContact CG1-CG 4.07Å; I200-W422 HydrophobicContact CG1-CZ2 4.13Å; I200-W422 HydrophobicContact CG2-CB 4.48Å; I200-W422 HydrophobicContact CG2-CG 4.2Å; L419-W422 CarbonylContact O-C 3.49Å; L419-W422 PolarHBondContact O-N 2.98Å; L419-W422 VanDerWaalsContact O-N 3.08Å; R420-W422 PolarHBondContact O-N 3.44Å; W422-M424 VanDerWaalsContact C-N 3.26Å; W422-M424 HydrophobicContact CB-CG 3.96Å; W422-M424 HydrophobicContact CB-SD 4.29Å; W422-M424 WeakPolarHBondContact O-CG 3.5Å; W422-M424 PolarHBondContact O-N 3.29Å
423	N	90.6	Very high	91.8	Very high	51 Å²	51	57.9 Å²	57.9	27%	0.273	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	36.5	-174.4	-60.6	-99.4	0	0	0	113.2	K109 T156 L419 R420	K109-N423 HydrophobicContact CD-CB 4.18Å; K109-N423 VanDerWaalsContact CE-OD1 3.24Å; K109-N423 WeakPolarHBondContact CE-OD1 3.5Å; K109-N423 HydrophobicContact CG-CB 4.48Å; K109-N423 PolarHBondContact NZ-OD1 3.43Å; T156-N423 PolarHBondContact OG1-ND2 2.67Å; L419-N423 PolarHBondContact O-N 3.17Å; R420-N423 PolarHBondContact O-N 3.09Å
424	M	91.5	Very high	91.8	Very high	4 Å²	4	59.7 Å²	59.7	2%	0.02	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.8	177.2	-46.1	-172.1	87.6	0	0	110.8	L106 K107 T108 W112 L197 I200 I248 L419 W422	L106-M424 HydrophobicContact CB-CE 4.2Å; L106-M424 HydrophobicContact CD2-CB 4.4Å; L106-M424 HydrophobicContact CD2-CE 3.7Å; L106-M424 HydrophobicContact CD2-SD 4.06Å; K107-M424 CarbonylContact O-C 3.51Å; K107-M424 WeakPolarHBondContact O-CA 3.38Å; T108-M424 HydrophobicContact CG2-CE 3.79Å; T108-M424 HydrophobicContact CG2-CG 4.29Å; W112-M424 HydrophobicContact CH2-CE 3.93Å; W112-M424 HydrophobicContact CH2-SD 4.38Å; W112-M424 HydrophobicContact CZ2-CE 3.87Å; W112-M424 HydrophobicContact CZ2-CG 4.13Å; W112-M424 HydrophobicContact CZ2-SD 3.88Å; L197-M424 HydrophobicContact CD2-CE 3.84Å; L197-M424 HydrophobicContact CD2-SD 4.45Å; I200-M424 HydrophobicContact CD1-SD 4.4Å; I200-M424 HydrophobicContact CG2-SD 4.36Å; I248-M424 HydrophobicContact CD1-CE 3.85Å; I248-M424 HydrophobicContact CG2-CE 4.46Å; L419-M424 CarbonylContact C-O 3.6Å; L419-M424 PolarHBondContact O-N 2.92Å; L419-M424 VanDerWaalsContact O-O 3.13Å; W422-M424 VanDerWaalsContact C-N 3.26Å; W422-M424 HydrophobicContact CB-CG 3.96Å; W422-M424 HydrophobicContact CB-SD 4.29Å; W422-M424 WeakPolarHBondContact O-CG 3.5Å; W422-M424 PolarHBondContact O-N 3.29Å
425	E	92.9	Very high	92	Very high	116 Å²	116	54.2 Å²	54.2	54%	0.542	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.8	171	-173.5	177.9	-169.1	0	0	110.2	L106 K107	L106-E425 CarbonylContact C-O 3.58Å; L106-E425 WeakPolarHBondContact CA-O 3.44Å; K107-E425 HydrophobicContact CB-CB 4.42Å; K107-E425 PolarHBondContact N-O 3.28Å; K107-E425 PolarHBondContact O-N 2.99Å
426	L	93.5	Very high	92.2	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.8	179	-176.8	62.7	0	0	0	110.2	F104 L106 L250 N406 L409 Q410 L419 K428	F104-L426 HydrophobicContact CB-CD1 3.62Å; F104-L426 HydrophobicContact CB-CG 4.43Å; L106-L426 HydrophobicContact CD1-CD1 3.61Å; L106-L426 HydrophobicContact CG-CD1 4.14Å; L250-L426 HydrophobicContact CB-CD1 4.46Å; L250-L426 HydrophobicContact CD2-CD1 4.11Å; L250-L426 HydrophobicContact CD2-CD2 4.41Å; N406-L426 WeakPolarHBondContact OD1-CD2 3.37Å; L409-L426 HydrophobicContact CD2-CD2 3.57Å; L409-L426 HydrophobicContact CG-CD2 4.27Å; Q410-L426 PolarHBondContact NE2-O 3.22Å; L419-L426 HydrophobicContact CD1-CB 4.24Å; L426-K428 PolarHBondContact O-N 2.78Å
427	D	93.2	Very high	92.4	Very high	33 Å²	33	55.7 Å²	55.7	18%	0.176	26%	0.26	C	S	.	.			trans	-64.5	133.7	179	-98.3	-36.5	0	0	0	111.9	R105 K107 N406 N429	R105-D427 HydrophobicContact CB-CB 4.21Å; R105-D427 PolarHBondContact O-N 2.92Å; K107-D427 WeakPolarHBondContact CE-OD1 3.46Å; K107-D427 WeakPolarHBondContact CE-OD2 3.25Å; K107-D427 IonicContact NZ-OD1 3.56Å; K107-D427 PolarHBondContact NZ-OD1 2.85Å; K107-D427 IonicContact NZ-OD2 2.75Å; N406-D427 PolarHBondContact ND2-O 2.81Å; D427-N429 VanDerWaalsContact C-N 3.28Å; D427-N429 PolarHBondContact O-N 3.06Å
428	K	88.8	Confident	92.6	Very high	146 Å²	146	49.9 Å²	49.9	64%	0.635	24%	0.235	S	C	*	.	S	Bend	trans	-65	-35.6	176.8	-72.1	168.8	-176.4	172.5	0	111.7	N406 Q410 L426	N406-K428 WeakPolarHBondContact ND2-CA 3.48Å; N406-K428 PolarHBondContact ND2-O 2.72Å; Q410-K428 VanDerWaalsContact OE1-CE 3.25Å; L426-K428 PolarHBondContact O-N 2.78Å
429	N	86.7	Confident	92.7	Very high	129 Å²	129	51.4 Å²	51.4	69%	0.69	25%	0.253	S	S	*	.	S	Bend	trans	-87.3	147.5	-179.5	-63.9	-13.7	0	0	0	110.8	D427	D427-N429 VanDerWaalsContact C-N 3.28Å; D427-N429 PolarHBondContact O-N 3.06Å
430	V	89.2	Confident	92.9	Very high	19 Å²	19	55.3 Å²	55.3	12%	0.115	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.4	139.2	169.8	171.4	0	0	0	0	108.9	T101 F104 E432	T101-V430 WeakPolarHBondContact O-CG1 3.47Å; F104-V430 HydrophobicContact CD1-CG2 4.39Å; F104-V430 HydrophobicContact CE1-CB 4.48Å; F104-V430 HydrophobicContact CE1-CG2 3.61Å; F104-V430 HydrophobicContact CZ-CG2 3.99Å; V430-E432 PolarHBondContact O-N 2.89Å
431	T	92.5	Very high	93.2	Very high	21 Å²	21	47.2 Å²	47.2	13%	0.129	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-62.3	124	174	-54.6	0	0	0	0	109.9	T101 F103 R105 L249 V433 V750	T101-T431 WeakPolarHBondContact CB-O 3.46Å; T101-T431 WeakPolarHBondContact CG2-O 3.28Å; T101-T431 PolarHBondContact N-O 3.23Å; T101-T431 VanDerWaalsContact N-O 3.14Å; T101-T431 PolarHBondContact OG1-O 2.71Å; F103-T431 PolarHBondContact O-N 2.74Å; F103-T431 PolarHBondContact O-OG1 2.97Å; R105-T431 PolarHBondContact N-OG1 3.26Å; L249-T431 HydrophobicContact CD2-CG2 4.48Å; T431-V433 HydrophobicContact CG2-CG2 4.38Å; T431-V750 HydrophobicContact CG2-CG1 3.95Å
432	E	92.8	Very high	93.4	Very high	98 Å²	98	48.6 Å²	48.6	46%	0.458	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	146.5	172.2	-54.2	-160.7	150.8	0	0	110.6	M98 L99 Q100 V430	M98-E432 HydrophobicContact CE-CB 3.72Å; L99-E432 CarbonylContact O-C 3.57Å; L99-E432 WeakPolarHBondContact O-CA 3.39Å; Q100-E432 HydrophobicContact CG-CG 3.94Å; Q100-E432 WeakPolarHBondContact CG-OE1 3.29Å; Q100-E432 PolarHBondContact NE2-OE1 3.48Å; V430-E432 PolarHBondContact O-N 2.89Å
433	V	94.8	Very high	93.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.3	-174.2	-177.9	0	0	0	0	110.2	L99 T101 T431 G435 V747 V750 I751	L99-V433 PolarHBondContact N-O 2.74Å; L99-V433 PolarHBondContact O-N 2.86Å; T101-V433 HydrophobicContact CG2-CB 4.16Å; T101-V433 HydrophobicContact CG2-CG2 3.48Å; T101-V433 VanDerWaalsContact CG2-CG2 3.48Å; T431-V433 HydrophobicContact CG2-CG2 4.38Å; V433-G435 PolarHBondContact O-N 2.84Å; V433-V747 HydrophobicContact CG1-CG1 3.63Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 3.99Å; V433-V750 HydrophobicContact CG2-CB 3.69Å; V433-V750 HydrophobicContact CG2-CG1 3.77Å; V433-V750 HydrophobicContact CG2-CG2 4.3Å; V433-I751 HydrophobicContact CG2-CG2 4.15Å
434	Q	95.7	Very high	94	Very high	125 Å²	125	47.9 Å²	47.9	58%	0.584	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	111	170.4	-168.9	178.9	28.9	0	0	109.2	M98	M98-Q434 HydrophobicContact SD-CB 3.94Å; M98-Q434 HydrophobicContact SD-CG 4.38Å
435	G	96.7	Very high	94.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-176.3	168.9	0	0	0	0	0	111.8	P96 V97 V433 I746	P96-G435 WeakPolarHBondContact CA-O 3.5Å; V97-G435 PolarHBondContact N-O 3.08Å; V97-G435 PolarHBondContact O-N 2.96Å; V433-G435 PolarHBondContact O-N 2.84Å; G435-I746 CarbonylContact C-O 3.35Å; G435-I746 WeakPolarHBondContact CA-O 3.44Å
436	R	97.4	Very high	94.3	Very high	19 Å²	19	47.6 Å²	47.6	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	149.2	174.1	-69.8	170.8	-67.8	105.1	5	110.8	G91 D93 V95 T745 I746 D748	G91-R436 VanDerWaalsContact C-CZ 3.49Å; G91-R436 PolarHBondContact O-NE 2.88Å; D93-R436 PolarHBondContact O-NH1 2.82Å; V95-R436 CarbonylContact O-C 3.36Å; V95-R436 VanDerWaalsContact O-CA 3.26Å; V95-R436 WeakPolarHBondContact O-CA 3.46Å; R436-T745 CarbonylContact O-C 3.49Å; R436-T745 WeakPolarHBondContact O-CA 3.48Å; R436-I746 PolarHBondContact N-O 3.02Å; R436-I746 PolarHBondContact O-N 3.39Å; R436-D748 IonicContact CZ-OD2 2.65Å; R436-D748 VanDerWaalsContact NH2-CG 3.33Å; R436-D748 IonicContact NH2-OD1 2.65Å; R436-D748 PolarHBondContact NH2-OD1 2.85Å; R436-D748 IonicContact NH2-OD2 2.72Å; R436-D748 PolarHBondContact NH2-OD2 3.19Å
437	I	97.6	Very high	94	Very high	35 Å²	35	52.2 Å²	52.2	18%	0.179	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.9	169.5	-58.3	168.8	0	0	0	108.2	G94 V95 V97 L736 P742	G94-I437 CarbonylContact C-O 3.52Å; G94-I437 VanDerWaalsContact CA-O 3.31Å; G94-I437 WeakPolarHBondContact CA-O 3.3Å; V95-I437 PolarHBondContact N-O 3.46Å; V95-I437 PolarHBondContact O-N 3.26Å; V97-I437 HydrophobicContact CG1-CD1 3.67Å; V97-I437 HydrophobicContact CG1-CG1 4.14Å; V97-I437 HydrophobicContact CG2-CD1 4.31Å; V97-I437 HydrophobicContact CG2-CG1 4.03Å; I437-L736 HydrophobicContact CD1-CD2 4.4Å; I437-P742 HydrophobicContact CD1-CG 3.59Å; I437-P742 HydrophobicContact CG1-CG 4.18Å; I437-P742 HydrophobicContact CG2-CG 4.49Å
438	I	95.9	Very high	93.8	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.041	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-69.1	131.7	169.9	-61.3	-172.5	0	0	0	108.8	G744 I746 K792 Y795	I438-G744 PolarHBondContact N-O 3Å; I438-I746 HydrophobicContact CD1-CD1 3.51Å; I438-I746 HydrophobicContact CD1-CG1 4.49Å; I438-I746 HydrophobicContact CG1-CD1 4.04Å; I438-K792 HydrophobicContact CD1-CB 4.07Å; I438-K792 HydrophobicContact CG2-CD 4.42Å; I438-K792 HydrophobicContact CG2-CG 4.28Å; I438-Y795 HydrophobicContact CB-CD1 4.03Å; I438-Y795 HydrophobicContact CB-CE1 4.33Å; I438-Y795 HydrophobicContact CG2-CD1 3.86Å; I438-Y795 HydrophobicContact CG2-CE1 4.3Å
439	G	93.9	Very high	94.1	Very high	45 Å²	45	51.3 Å²	51.3	46%	0.464	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-56.2	160.3	178.1	0	0	0	0	0	113.9	Q441	G439-Q441 PolarHBondContact O-NE2 3.18Å
440	Q	95.2	Very high	94.5	Very high	95 Å²	95	46.1 Å²	46.1	44%	0.444	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-56.4	149.9	-179.1	-60.1	-178.2	23.8	0	0	111.7	G453	Q440-G453 VanDerWaalsContact CD-C 3.46Å
441	Q	96.1	Very high	94.8	Very high	16 Å²	16	48.3 Å²	48.3	8%	0.075	26%	0.263	C	S	.	.			trans	-109.7	144.8	-178.8	-56	-62.4	-63.8	0	0	110.4	G439 A452 I601 Y795 K796	G439-Q441 PolarHBondContact O-NE2 3.18Å; Q441-A452 WeakPolarHBondContact O-CB 3.46Å; Q441-A452 PolarHBondContact O-N 2.85Å; Q441-I601 HydrophobicContact CB-CD1 3.6Å; Q441-Y795 HydrophobicContact CG-CD1 4.12Å; Q441-Y795 HydrophobicContact CG-CE1 4.03Å; Q441-K796 VanDerWaalsContact OE1-CG 3.28Å
442	N	96.3	Very high	94.9	Very high	50 Å²	50	47.4 Å²	47.4	27%	0.267	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	123.8	179.2	-61.2	-49.5	0	0	0	111.4	K449 V450 I601 E602	N442-K449 HydrophobicContact CB-CB 4.4Å; N442-K449 HydrophobicContact CB-CD 4.16Å; N442-K449 HydrophobicContact CB-CG 4.4Å; N442-V450 CarbonylContact C-O 3.58Å; N442-V450 WeakPolarHBondContact CA-O 3.36Å; N442-I601 VanDerWaalsContact O-CD1 3.32Å; N442-I601 WeakPolarHBondContact O-CD1 3.2Å; N442-E602 HydrophobicContact CB-CG 4.32Å; N442-E602 WeakPolarHBondContact CB-OE2 3.37Å; N442-E602 PolarHBondContact ND2-OE2 2.82Å
443	I	97	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.2	171.9	-51	-57.4	0	0	0	108.3	F445 K449 V450 A452 W458 W599 M600 I601 H799	I443-F445 HydrophobicContact CB-CE2 4.18Å; I443-F445 HydrophobicContact CG2-CD2 4.17Å; I443-F445 HydrophobicContact CG2-CE2 3.53Å; I443-F445 HydrophobicContact CG2-CZ 3.99Å; I443-K449 CarbonylContact O-C 3.57Å; I443-K449 WeakPolarHBondContact O-CA 3.46Å; I443-K449 WeakPolarHBondContact O-CB 3.42Å; I443-V450 HydrophobicContact CB-CG2 4.14Å; I443-V450 PolarHBondContact N-O 2.91Å; I443-V450 PolarHBondContact O-N 2.92Å; I443-A452 HydrophobicContact CD1-CB 4.34Å; I443-A452 HydrophobicContact CG1-CB 4.23Å; I443-W458 HydrophobicContact CD1-CD2 3.87Å; I443-W458 HydrophobicContact CD1-CE3 3.87Å; I443-W458 HydrophobicContact CD1-CH2 3.75Å; I443-W458 HydrophobicContact CD1-CZ2 3.76Å; I443-W458 HydrophobicContact CD1-CZ3 3.79Å; I443-W458 HydrophobicContact CG1-CB 4.48Å; I443-W458 HydrophobicContact CG1-CD2 3.67Å; I443-W458 HydrophobicContact CG1-CE3 3.89Å; I443-W458 HydrophobicContact CG1-CG 3.94Å; I443-W458 HydrophobicContact CG1-CZ2 4.43Å; I443-W458 HydrophobicContact CG1-CZ3 4.33Å; I443-W458 HydrophobicContact CG2-CG 4.44Å; I443-W599 HydrophobicContact CG2-CB 3.69Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; I443-M600 WeakPolarHBondContact CA-O 2.99Å; I443-I601 HydrophobicContact CD1-CD1 4.2Å; I443-H799 HydrophobicContact CD1-CB 4.32Å
444	V	96.5	Very high	94.6	Very high	37 Å²	37	51.5 Å²	51.5	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130.3	-177.5	-172.1	0	0	0	0	109.9	K449 L468 W599 M600 E602	V444-K449 HydrophobicContact CG2-CB 4.27Å; V444-L468 HydrophobicContact CG1-CD1 4.06Å; V444-W599 CarbonylContact O-C 3.58Å; V444-W599 WeakPolarHBondContact O-CA 3.21Å; V444-M600 HydrophobicContact CB-CB 4.26Å; V444-M600 PolarHBondContact N-O 2.83Å; V444-M600 PolarHBondContact O-N 2.67Å; V444-E602 HydrophobicContact CG2-CG 3.99Å
445	F	96.1	Very high	94.3	Very high	3 Å²	3	50.1 Å²	50.1	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-178.4	176.9	-76	-81.8	0	0	0	109.5	I443 N447 G448 V450 F462 Q465 R466 L468 W599	I443-F445 HydrophobicContact CB-CE2 4.18Å; I443-F445 HydrophobicContact CG2-CD2 4.17Å; I443-F445 HydrophobicContact CG2-CE2 3.53Å; I443-F445 HydrophobicContact CG2-CZ 3.99Å; F445-N447 PolarHBondContact O-N 3.36Å; F445-G448 PolarHBondContact N-O 3.26Å; F445-V450 HydrophobicContact CD2-CG2 4.15Å; F445-V450 HydrophobicContact CE2-CG2 3.75Å; F445-F462 AromaticContact CE1-CD1 3.83Å; F445-F462 HydrophobicContact CE1-CD1 3.83Å; F445-F462 AromaticContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CZ 4.05Å; F445-F462 HydrophobicContact CZ-CD1 4.19Å; F445-F462 AromaticContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE2 4.29Å; F445-F462 AromaticContact CZ-CZ 3.82Å; F445-F462 HydrophobicContact CZ-CZ 3.82Å; F445-Q465 HydrophobicContact CB-CB 4.37Å; F445-Q465 HydrophobicContact CD1-CB 3.94Å; F445-Q465 HydrophobicContact CD2-CB 4.34Å; F445-Q465 HydrophobicContact CD2-CG 4.31Å; F445-Q465 HydrophobicContact CE1-CB 4.28Å; F445-Q465 HydrophobicContact CG-CB 3.96Å; F445-Q465 HydrophobicContact CG-CG 4.32Å; F445-R466 WeakPolarHBondContact CD1-O 3.34Å; F445-L468 WeakPolarHBondContact O-CD1 3.27Å; F445-W599 HydrophobicContact CD1-CB 4.42Å; F445-W599 HydrophobicContact CE1-CB 4.07Å; F445-W599 HydrophobicContact CZ-CB 4.21Å
446	H	93.6	Very high	94.2	Very high	110 Å²	110	50.2 Å²	50.2	51%	0.509	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-44.6	-178.5	-168.6	74.3	0	0	0	111.9	R466 L468	H446-R466 HydrophobicContact CB-CB 4.11Å; H446-R466 PolarHBondContact N-O 3.4Å; H446-L468 PolarHBondContact ND1-O 2.74Å
447	N	87.4	Confident	94	Very high	105 Å²	105	51.4 Å²	51.4	56%	0.561	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	65	-178.4	-70.2	0.5	0	0	0	111	F445	F445-N447 PolarHBondContact O-N 3.36Å
448	G	90.8	Very high	93.8	Very high	43 Å²	43	49.8 Å²	49.8	44%	0.443	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105	-154.8	173.4	0	0	0	0	0	114.5	F445	F445-G448 PolarHBondContact N-O 3.26Å
449	K	94.3	Very high	93.6	Very high	118 Å²	118	52.5 Å²	52.5	51%	0.513	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	151.2	-172.2	66.4	-168.4	-178	-174.5	0	112.2	N442 I443 V444 E602	N442-K449 HydrophobicContact CB-CB 4.4Å; N442-K449 HydrophobicContact CB-CD 4.16Å; N442-K449 HydrophobicContact CB-CG 4.4Å; I443-K449 CarbonylContact O-C 3.57Å; I443-K449 WeakPolarHBondContact O-CA 3.46Å; I443-K449 WeakPolarHBondContact O-CB 3.42Å; V444-K449 HydrophobicContact CG2-CB 4.27Å; K449-E602 WeakPolarHBondContact CD-OE1 3.12Å; K449-E602 WeakPolarHBondContact CE-OE1 3.34Å; K449-E602 IonicContact NZ-OE1 3.86Å; K449-E602 PolarHBondContact NZ-OE1 2.76Å
450	V	95.4	Very high	93.3	Very high	19 Å²	19	60.2 Å²	60.2	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.5	178.4	-60	0	0	0	0	110.6	N442 I443 F445 H461	N442-V450 CarbonylContact C-O 3.58Å; N442-V450 WeakPolarHBondContact CA-O 3.36Å; I443-V450 HydrophobicContact CB-CG2 4.14Å; I443-V450 PolarHBondContact N-O 2.91Å; I443-V450 PolarHBondContact O-N 2.92Å; F445-V450 HydrophobicContact CD2-CG2 4.15Å; F445-V450 HydrophobicContact CE2-CG2 3.75Å; V450-H461 HydrophobicContact CG2-CB 4.11Å
451	P	95.2	Very high	93	Very high	65 Å²	65	59 Å²	59	42%	0.422	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	146.4	172.6	29.5	-34.9	0	0	0	110.8	G453	P451-G453 PolarHBondContact O-N 2.78Å
452	A	93.7	Very high	92.4	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	30%	0.301	C	S	.	.			trans	-67.4	-12.6	176.2	0	0	0	0	0	114.3	Q441 I443 A456 D457 W458	Q441-A452 WeakPolarHBondContact O-CB 3.46Å; Q441-A452 PolarHBondContact O-N 2.85Å; I443-A452 HydrophobicContact CD1-CB 4.34Å; I443-A452 HydrophobicContact CG1-CB 4.23Å; A452-A456 VanDerWaalsContact O-CA 3.27Å; A452-A456 WeakPolarHBondContact O-CA 3.44Å; A452-A456 PolarHBondContact O-N 3.04Å; A452-D457 PolarHBondContact O-N 2.85Å; A452-W458 HydrophobicContact CB-CE3 3.79Å; A452-W458 HydrophobicContact CB-CZ3 3.93Å
453	G	92.5	Very high	91.6	Very high	30 Å²	30	65.5 Å²	65.5	31%	0.309	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	166	-175	0	0	0	0	0	113.3	Q440 P451 N455 A456	Q440-G453 VanDerWaalsContact CD-C 3.46Å; P451-G453 PolarHBondContact O-N 2.78Å; G453-N455 PolarHBondContact O-N 3.46Å; G453-A456 PolarHBondContact O-N 2.89Å
454	E	88.8	Confident	90.9	Very high	154 Å²	154	71.7 Å²	71.7	72%	0.72	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.6	178.2	-57.2	176.7	153.9	0	0	112.4	A456	E454-A456 VanDerWaalsContact C-N 3.33Å
455	N	89.4	Confident	90.6	Very high	96 Å²	96	71.9 Å²	71.9	51%	0.513	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.1	179.4	-81.7	-67.5	0	0	0	113.6	G453 D457 Q765	G453-N455 PolarHBondContact O-N 3.46Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.95Å; N455-Q765 WeakPolarHBondContact O-CG 3.21Å; N455-Q765 PolarHBondContact O-NE2 2.79Å
456	A	94.6	Very high	90.5	Very high	3 Å²	3	78.3 Å²	78.3	3%	0.025	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	45	-177.4	0	0	0	0	0	114	A452 G453 E454 P743 G806 T807	A452-A456 VanDerWaalsContact O-CA 3.27Å; A452-A456 WeakPolarHBondContact O-CA 3.44Å; A452-A456 PolarHBondContact O-N 3.04Å; G453-A456 PolarHBondContact O-N 2.89Å; E454-A456 VanDerWaalsContact C-N 3.33Å; A456-P743 HydrophobicContact CB-CB 3.67Å; A456-P743 HydrophobicContact CB-CG 3.81Å; A456-G806 CarbonylContact O-C 3.58Å; A456-G806 WeakPolarHBondContact O-CA 3.4Å; A456-T807 HydrophobicContact CB-CG2 3.7Å; A456-T807 WeakPolarHBondContact CB-OG1 3.11Å; A456-T807 PolarHBondContact O-N 2.95Å
457	D	93.9	Very high	90.7	Very high	44 Å²	44	73.1 Å²	73.1	24%	0.235	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-135.8	109.5	178.4	-178.4	-27.6	0	0	0	108	A452 N455 Q459 R767	A452-D457 PolarHBondContact O-N 2.85Å; N455-D457 VanDerWaalsContact C-N 3.26Å; N455-D457 PolarHBondContact O-N 2.95Å; D457-Q459 VanDerWaalsContact OD1-CB 3.28Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.22Å; D457-Q459 PolarHBondContact OD1-N 2.91Å; D457-R767 IonicContact OD2-NH2 2.94Å
458	W	94.4	Very high	91.1	Very high	1 Å²	1	69.6 Å²	69.6	0%	0.004	34%	0.337	C	S	.	.			trans	-105.8	19.1	-177.1	52.3	98.1	0	0	0	112.6	I443 A452 R460 H461 F462 W599 H799 S805 G806	I443-W458 HydrophobicContact CD1-CD2 3.87Å; I443-W458 HydrophobicContact CD1-CE3 3.87Å; I443-W458 HydrophobicContact CD1-CH2 3.75Å; I443-W458 HydrophobicContact CD1-CZ2 3.76Å; I443-W458 HydrophobicContact CD1-CZ3 3.79Å; I443-W458 HydrophobicContact CG1-CB 4.48Å; I443-W458 HydrophobicContact CG1-CD2 3.67Å; I443-W458 HydrophobicContact CG1-CE3 3.89Å; I443-W458 HydrophobicContact CG1-CG 3.94Å; I443-W458 HydrophobicContact CG1-CZ2 4.43Å; I443-W458 HydrophobicContact CG1-CZ3 4.33Å; I443-W458 HydrophobicContact CG2-CG 4.44Å; A452-W458 HydrophobicContact CB-CE3 3.79Å; A452-W458 HydrophobicContact CB-CZ3 3.93Å; W458-R460 PolarHBondContact O-N 2.93Å; W458-H461 PolarHBondContact O-N 3.36Å; W458-H461 VanDerWaalsContact O-N 3.09Å; W458-F462 AromaticContact CD1-CE2 3.39Å; W458-F462 AromaticContact CD1-CZ 3.64Å; W458-F462 HydrophobicContact CG-CE2 4.4Å; W458-F462 AromaticContact NE1-CE2 3.96Å; W458-F462 AromaticContact NE1-CZ 3.84Å; W458-F462 WeakPolarHBondContact O-CD2 3.42Å; W458-F462 WeakPolarHBondContact O-CE2 3.38Å; W458-W599 AromaticContact CE2-CE2 3.93Å; W458-W599 AromaticContact CE2-NE1 3.94Å; W458-W599 AromaticContact CZ2-CE2 3.73Å; W458-W599 AromaticContact CZ2-CZ2 3.78Å; W458-W599 HydrophobicContact CZ2-CZ2 3.78Å; W458-W599 AromaticContact CZ2-NE1 3.51Å; W458-W599 AromaticContact NE1-CD2 3.73Å; W458-W599 AromaticContact NE1-CE2 3.5Å; W458-W599 AromaticContact NE1-CZ2 3.76Å; W458-W599 AromaticContact NE1-NE1 3.8Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.7Å; W458-H799 HydrophobicContact CZ2-CB 4.48Å; W458-H799 WeakPolarHBondContact CZ2-O 3.15Å; W458-H799 AromaticContact CZ3-CD2 3.67Å; W458-S805 PolarHBondContact N-O 3.37Å; W458-G806 WeakPolarHBondContact CH2-O 3.27Å
459	Q	90.5	Very high	91.3	Very high	66 Å²	66	70 Å²	70	31%	0.308	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.4	-177.8	-159.3	-163.2	-66.5	0	0	113.3	D457 S805	D457-Q459 VanDerWaalsContact OD1-CB 3.28Å; D457-Q459 WeakPolarHBondContact OD1-CB 3.22Å; D457-Q459 PolarHBondContact OD1-N 2.91Å; Q459-S805 VanDerWaalsContact CB-OG 3.25Å; Q459-S805 WeakPolarHBondContact CB-OG 3.42Å; Q459-S805 VanDerWaalsContact CG-OG 3.32Å; Q459-S805 WeakPolarHBondContact CG-OG 3.27Å
460	R	87.5	Confident	91.4	Very high	207 Å²	207	66.5 Å²	66.5	78%	0.781	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-37	-179.4	-63.9	-176.5	-179.5	-171.8	0.2	112.6	W458 F462 R463	W458-R460 PolarHBondContact O-N 2.93Å; R460-F462 VanDerWaalsContact C-N 3.3Å; R460-F462 PolarHBondContact O-N 2.96Å; R460-R463 WeakPolarHBondContact O-CG 3.42Å; R460-R463 PolarHBondContact O-N 3.26Å
461	H	88.9	Confident	91.4	Very high	69 Å²	69	66.1 Å²	66.1	32%	0.319	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-69.8	-21.3	-172.1	-63	-70.4	0	0	0	114.2	V450 W458 R463 D464 Q465	V450-H461 HydrophobicContact CG2-CB 4.11Å; W458-H461 PolarHBondContact O-N 3.36Å; W458-H461 VanDerWaalsContact O-N 3.09Å; H461-R463 PolarHBondContact O-N 2.68Å; H461-R463 VanDerWaalsContact O-N 3.07Å; H461-D464 PolarHBondContact O-N 2.74Å; H461-D464 VanDerWaalsContact O-N 3.15Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.32Å; H461-Q465 WeakPolarHBondContact O-CG 3.44Å; H461-Q465 PolarHBondContact O-N 2.76Å
462	F	84.2	Confident	91.2	Very high	5 Å²	5	67.8 Å²	67.8	2%	0.022	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-64.1	-8.6	175.1	-66.4	-88.1	0	0	0	114.9	F445 W458 R460 D464 M504 T584 I588 W599	F445-F462 AromaticContact CE1-CD1 3.83Å; F445-F462 HydrophobicContact CE1-CD1 3.83Å; F445-F462 AromaticContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CE1 3.52Å; F445-F462 HydrophobicContact CE1-CZ 4.05Å; F445-F462 HydrophobicContact CZ-CD1 4.19Å; F445-F462 AromaticContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE1 3.79Å; F445-F462 HydrophobicContact CZ-CE2 4.29Å; F445-F462 AromaticContact CZ-CZ 3.82Å; F445-F462 HydrophobicContact CZ-CZ 3.82Å; W458-F462 AromaticContact CD1-CE2 3.39Å; W458-F462 AromaticContact CD1-CZ 3.64Å; W458-F462 HydrophobicContact CG-CE2 4.4Å; W458-F462 AromaticContact NE1-CE2 3.96Å; W458-F462 AromaticContact NE1-CZ 3.84Å; W458-F462 WeakPolarHBondContact O-CD2 3.42Å; W458-F462 WeakPolarHBondContact O-CE2 3.38Å; R460-F462 VanDerWaalsContact C-N 3.3Å; R460-F462 PolarHBondContact O-N 2.96Å; F462-D464 VanDerWaalsContact C-N 3.35Å; F462-M504 HydrophobicContact CB-SD 4.2Å; F462-M504 HydrophobicContact CD1-SD 4.12Å; F462-M504 WeakPolarHBondContact O-CG 3.5Å; F462-T584 HydrophobicContact CB-CG2 4.23Å; F462-I588 HydrophobicContact CD1-CD1 3.69Å; F462-I588 HydrophobicContact CD1-CG1 4.42Å; F462-I588 HydrophobicContact CE1-CD1 3.79Å; F462-I588 HydrophobicContact CE1-CG1 4.49Å; F462-I588 HydrophobicContact CG-CD1 4.14Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; F462-W599 AromaticContact CE1-CE3 3.56Å; F462-W599 HydrophobicContact CE1-CE3 3.56Å; F462-W599 AromaticContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE2-CZ3 4.46Å; F462-W599 HydrophobicContact CZ-CD2 4.09Å; F462-W599 AromaticContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CH2 4.29Å; F462-W599 AromaticContact CZ-CZ3 3.43Å; F462-W599 HydrophobicContact CZ-CZ3 3.43Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.43Å
463	R	79.1	Confident	91	Very high	198 Å²	198	71.2 Å²	71.2	75%	0.747	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-72.1	-34.4	173.9	-68.8	178.7	172	-164.2	-4.5	112	R460 H461	R460-R463 WeakPolarHBondContact O-CG 3.42Å; R460-R463 PolarHBondContact O-N 3.26Å; H461-R463 PolarHBondContact O-N 2.68Å; H461-R463 VanDerWaalsContact O-N 3.07Å
464	D	81.3	Confident	91.1	Very high	129 Å²	129	69.8 Å²	69.8	69%	0.69	33%	0.334	S	S	*	.	S	Bend	trans	-120.7	10.5	-164.7	-35.4	-61.2	0	0	0	111.1	H461 F462	H461-D464 PolarHBondContact O-N 2.74Å; H461-D464 VanDerWaalsContact O-N 3.15Å; F462-D464 VanDerWaalsContact C-N 3.35Å
465	Q	90.4	Very high	91.4	Very high	41 Å²	41	62.5 Å²	62.5	19%	0.192	30%	0.3	C	S	.	.			trans	-135.3	136.6	-173.8	-72.5	-64.8	-31.9	0	0	112.3	F445 H461	F445-Q465 HydrophobicContact CB-CB 4.37Å; F445-Q465 HydrophobicContact CD1-CB 3.94Å; F445-Q465 HydrophobicContact CD2-CB 4.34Å; F445-Q465 HydrophobicContact CD2-CG 4.31Å; F445-Q465 HydrophobicContact CE1-CB 4.28Å; F445-Q465 HydrophobicContact CG-CB 3.96Å; F445-Q465 HydrophobicContact CG-CG 4.32Å; H461-Q465 VanDerWaalsContact O-CB 3.31Å; H461-Q465 WeakPolarHBondContact O-CB 3.32Å; H461-Q465 WeakPolarHBondContact O-CG 3.44Å; H461-Q465 PolarHBondContact O-N 2.76Å
466	R	95.1	Very high	91.6	Very high	139 Å²	139	60 Å²	60	53%	0.525	29%	0.286	S	S	.	.			trans	-83.6	139.1	173.1	-66.2	-176.8	-178.9	179.1	2.1	110.9	F445 H446 M504	F445-R466 WeakPolarHBondContact CD1-O 3.34Å; H446-R466 HydrophobicContact CB-CB 4.11Å; H446-R466 PolarHBondContact N-O 3.4Å; R466-M504 WeakPolarHBondContact CA-O 3.42Å
467	M	96.5	Very high	91.6	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	31%	0.307	C	S	.	.			trans	-57.5	138.2	174.8	-79.6	-175.1	-63.8	0	0	111.1	T469 T470 M504 L506 I588 N591 P598	M467-T469 VanDerWaalsContact C-N 3.34Å; M467-T469 PolarHBondContact O-N 2.8Å; M467-T470 HydrophobicContact CB-CG2 3.98Å; M467-T470 HydrophobicContact CE-CG2 4.12Å; M467-M504 HydrophobicContact CE-CB 3.99Å; M467-M504 HydrophobicContact CE-CE 4.25Å; M467-M504 HydrophobicContact CG-CB 4.23Å; M467-M504 PolarHBondContact N-O 3.08Å; M467-M504 HydrophobicContact SD-SD 4.5Å; M467-L506 HydrophobicContact CE-CB 3.69Å; M467-L506 HydrophobicContact CE-CD2 4.31Å; M467-I588 HydrophobicContact SD-CB 4.5Å; M467-I588 HydrophobicContact SD-CG1 4.03Å; M467-N591 HydrophobicContact CE-CB 3.76Å; M467-N591 HydrophobicContact SD-CB 3.84Å; M467-P598 VanDerWaalsContact CA-O 3.27Å; M467-P598 WeakPolarHBondContact CA-O 3.03Å; M467-P598 HydrophobicContact CG-CB 3.96Å; M467-P598 HydrophobicContact SD-CB 3.79Å; M467-P598 HydrophobicContact SD-CG 4.02Å
468	L	96.4	Very high	91.8	Very high	30 Å²	30	64 Å²	64	16%	0.157	30%	0.297	C	S	.	.	S	Bend	trans	-49.3	-49.5	-171.3	-178.1	78	0	0	0	113.6	V444 F445 H446 T597 P598 M600	V444-L468 HydrophobicContact CG1-CD1 4.06Å; F445-L468 WeakPolarHBondContact O-CD1 3.27Å; H446-L468 PolarHBondContact ND1-O 2.74Å; L468-T597 WeakPolarHBondContact CB-O 3.44Å; L468-T597 HydrophobicContact CD2-CG2 4.01Å; L468-T597 PolarHBondContact N-O 3.34Å; L468-P598 PolarHBondContact N-O 3.21Å; L468-M600 HydrophobicContact CD2-CB 3.51Å; L468-M600 HydrophobicContact CD2-CG 4.4Å
469	T	96.2	Very high	92	Very high	53 Å²	53	63.9 Å²	63.9	33%	0.325	30%	0.297	S	S	.	.			trans	-129.5	142.9	171	68.5	0	0	0	0	110.6	M467 N591 T597	M467-T469 VanDerWaalsContact C-N 3.34Å; M467-T469 PolarHBondContact O-N 2.8Å; T469-N591 PolarHBondContact O-ND2 2.82Å; T469-T597 PolarHBondContact N-O 2.92Å; T469-T597 WeakPolarHBondContact OG1-CB 3.32Å; T469-T597 PolarHBondContact OG1-N 2.95Å; T469-T597 PolarHBondContact OG1-OG1 2.9Å
470	T	96	Very high	92.4	Very high	43 Å²	43	60.8 Å²	60.8	26%	0.264	28%	0.283	S	S	.	.			trans	-142.5	155.3	176.3	52	0	0	0	0	108.7	M467 S472 L506 Y596	M467-T470 HydrophobicContact CB-CG2 3.98Å; M467-T470 HydrophobicContact CE-CG2 4.12Å; T470-S472 PolarHBondContact O-N 3.28Å; T470-L506 HydrophobicContact CG2-CB 4.36Å; T470-Y596 VanDerWaalsContact C-CD1 3.41Å
471	P	95.2	Very high	92.9	Very high	12 Å²	12	51 Å²	51	8%	0.078	25%	0.246	C	C	.	.			trans	-63.7	133.1	173.4	23.4	-31.3	0	0	0	111	D473 G474 L506 N591 L594 Y596	P471-D473 VanDerWaalsContact C-N 3.25Å; P471-D473 PolarHBondContact O-N 3.47Å; P471-G474 WeakPolarHBondContact O-CA 3.42Å; P471-G474 PolarHBondContact O-N 3.05Å; P471-L506 HydrophobicContact CG-CD1 4Å; P471-N591 WeakPolarHBondContact CD-OD1 3.49Å; P471-L594 HydrophobicContact CG-CD1 4.19Å; P471-Y596 HydrophobicContact CB-CD2 4.37Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.73Å; P471-Y596 HydrophobicContact CG-CD2 4.31Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å
472	S	91.3	Very high	93.3	Very high	99 Å²	99	47.7 Å²	47.7	69%	0.692	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.7	174.2	48.7	0	0	0	0	112.8	T470 G474 R507	T470-S472 PolarHBondContact O-N 3.28Å; S472-G474 PolarHBondContact O-N 3.39Å; S472-R507 PolarHBondContact O-NH2 2.88Å
473	D	88.9	Confident	93.9	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.2	177.6	-47.3	-22.8	0	0	0	111.4	P471 D476 R507 K537	P471-D473 VanDerWaalsContact C-N 3.25Å; P471-D473 PolarHBondContact O-N 3.47Å; D473-D476 HydrophobicContact CB-CB 4.48Å; D473-R507 PolarHBondContact O-NE 3.13Å; D473-R507 VanDerWaalsContact O-NE 3.12Å; D473-R507 PolarHBondContact O-NH2 3.41Å; D473-K537 IonicContact OD2-NZ 3.64Å; D473-K537 PolarHBondContact OD2-NZ 3.15Å
474	G	93.9	Very high	94.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.01	22%	0.22	C	C	.	.			trans	76.8	-160.2	-161.9	0	0	0	0	0	112.3	P471 S472 D476 R507	P471-G474 WeakPolarHBondContact O-CA 3.42Å; P471-G474 PolarHBondContact O-N 3.05Å; S472-G474 PolarHBondContact O-N 3.39Å; G474-D476 PolarHBondContact O-N 3.33Å; G474-R507 CarbonylContact C-O 3.44Å; G474-R507 WeakPolarHBondContact CA-O 3.29Å
475	L	95.9	Very high	95.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-92.2	87	163.3	-171.8	55.8	0	0	0	108.2	W478 R507 I508 R509 K537 L538 L590 L594	L475-W478 HydrophobicContact CD1-CB 3.67Å; L475-W478 HydrophobicContact CD1-CG 4.01Å; L475-W478 HydrophobicContact CD2-CB 4.23Å; L475-W478 HydrophobicContact CD2-CD2 3.71Å; L475-W478 HydrophobicContact CD2-CE3 4.06Å; L475-W478 HydrophobicContact CD2-CG 3.83Å; L475-W478 HydrophobicContact CG-CB 3.83Å; L475-W478 HydrophobicContact CG-CD2 4Å; L475-W478 HydrophobicContact CG-CG 3.56Å; L475-R507 PolarHBondContact N-O 3.04Å; L475-I508 HydrophobicContact CB-CB 4.47Å; L475-I508 HydrophobicContact CB-CG1 4.12Å; L475-I508 HydrophobicContact CB-CG2 4.33Å; L475-I508 HydrophobicContact CD2-CG2 4.39Å; L475-R509 PolarHBondContact O-N 2.64Å; L475-K537 HydrophobicContact CD1-CB 4.11Å; L475-L538 HydrophobicContact CD1-CB 4.2Å; L475-L590 HydrophobicContact CD2-CD1 4.11Å; L475-L594 HydrophobicContact CB-CD1 4.38Å; L475-L594 HydrophobicContact CD1-CD1 4.01Å; L475-L594 HydrophobicContact CD1-CD2 3.89Å
476	D	92.3	Very high	95.7	Very high	43 Å²	43	43.1 Å²	43.1	23%	0.23	21%	0.207	C	C	.	.			trans	-92.8	-42.4	-171.2	58.2	-19.8	0	0	0	113.8	D473 G474 K537	D473-D476 HydrophobicContact CB-CB 4.48Å; G474-D476 PolarHBondContact O-N 3.33Å; D476-K537 WeakPolarHBondContact OD1-CD 3.44Å; D476-K537 WeakPolarHBondContact OD1-CE 3.4Å; D476-K537 IonicContact OD1-NZ 3.61Å; D476-K537 PolarHBondContact OD1-NZ 3.09Å; D476-K537 IonicContact OD2-NZ 2.74Å; D476-K537 PolarHBondContact OD2-NZ 3.01Å
477	R	95.9	Very high	95.6	Very high	124 Å²	124	37.7 Å²	37.7	47%	0.468	19%	0.191	S	C	.	.	S	Bend	trans	-121.6	101.4	178.5	-170.6	173.7	73.6	-170.9	0.3	109.6	S534 D535 K537	R477-S534 WeakPolarHBondContact CD-O 3.4Å; R477-S534 PolarHBondContact NE-O 3.5Å; R477-S534 VanDerWaalsContact NE-O 3.08Å; R477-D535 VanDerWaalsContact CZ-O 3.22Å; R477-D535 PolarHBondContact NE-O 3.31Å; R477-D535 PolarHBondContact NH2-O 3.29Å; R477-K537 WeakPolarHBondContact O-CB 3.02Å; R477-K537 PolarHBondContact O-N 2.88Å
478	W	98	Very high	95.6	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.027	22%	0.222	C	C	.	.			trans	-155	167.3	-178.1	73.7	-64.8	0	0	0	110.3	L475 V480 L494 L497 Y498 I508 R509 P511 Q512 L538 L540	L475-W478 HydrophobicContact CD1-CB 3.67Å; L475-W478 HydrophobicContact CD1-CG 4.01Å; L475-W478 HydrophobicContact CD2-CB 4.23Å; L475-W478 HydrophobicContact CD2-CD2 3.71Å; L475-W478 HydrophobicContact CD2-CE3 4.06Å; L475-W478 HydrophobicContact CD2-CG 3.83Å; L475-W478 HydrophobicContact CG-CB 3.83Å; L475-W478 HydrophobicContact CG-CD2 4Å; L475-W478 HydrophobicContact CG-CG 3.56Å; W478-V480 HydrophobicContact CE3-CG2 4.32Å; W478-V480 HydrophobicContact CH2-CG2 4.03Å; W478-V480 HydrophobicContact CZ3-CG2 3.72Å; W478-L494 HydrophobicContact CH2-CD2 3.65Å; W478-L494 HydrophobicContact CZ2-CD2 4.3Å; W478-L497 HydrophobicContact CH2-CD2 3.99Å; W478-Y498 HydrophobicContact CZ2-CE1 4.28Å; W478-I508 HydrophobicContact CH2-CG2 4.49Å; W478-I508 HydrophobicContact CZ2-CG2 3.51Å; W478-R509 PolarHBondContact NE1-O 2.75Å; W478-P511 HydrophobicContact CD2-CB 3.84Å; W478-P511 HydrophobicContact CE3-CB 4.21Å; W478-P511 HydrophobicContact CG-CB 4.33Å; W478-P511 HydrophobicContact CH2-CB 4.22Å; W478-P511 HydrophobicContact CH2-CG 4.22Å; W478-P511 HydrophobicContact CZ2-CB 3.83Å; W478-P511 HydrophobicContact CZ2-CG 3.89Å; W478-P511 HydrophobicContact CZ3-CB 4.39Å; W478-P511 WeakPolarHBondContact O-CA 3.47Å; W478-Q512 PolarHBondContact O-N 2.72Å; W478-L538 WeakPolarHBondContact CA-O 3.38Å; W478-L538 WeakPolarHBondContact CB-O 3.41Å; W478-L538 HydrophobicContact CE3-CD2 4.23Å; W478-L540 HydrophobicContact CZ3-CB 4.02Å; W478-L540 HydrophobicContact CZ3-CD1 4.28Å
479	A	98.4	Very high	95.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.1	-173.4	0	0	0	0	0	113.4	Q512 F514 C531 P536 L538 I539 L540	A479-Q512 VanDerWaalsContact CA-O 3.3Å; A479-Q512 WeakPolarHBondContact CA-O 3.37Å; A479-Q512 HydrophobicContact CB-CB 4.16Å; A479-Q512 WeakPolarHBondContact CB-O 3.43Å; A479-F514 HydrophobicContact CB-CD2 4.31Å; A479-F514 HydrophobicContact CB-CE2 4.42Å; A479-C531 WeakPolarHBondContact CB-SG 3.4Å; A479-P536 HydrophobicContact CB-CB 4.48Å; A479-L538 PolarHBondContact N-O 3.03Å; A479-L538 VanDerWaalsContact N-O 3.12Å; A479-I539 HydrophobicContact CB-CG1 4.5Å; A479-I539 CarbonylContact O-C 3.54Å; A479-I539 WeakPolarHBondContact O-CA 3.28Å; A479-L540 PolarHBondContact O-N 2.93Å
480	V	98.5	Very high	95.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.8	178.6	170.8	0	0	0	0	109.6	W478 L490 L494 P511 Q512 F514 L540	W478-V480 HydrophobicContact CE3-CG2 4.32Å; W478-V480 HydrophobicContact CH2-CG2 4.03Å; W478-V480 HydrophobicContact CZ3-CG2 3.72Å; V480-L490 HydrophobicContact CG1-CD1 3.49Å; V480-L490 VanDerWaalsContact CG1-CD1 3.49Å; V480-L490 HydrophobicContact CG1-CD2 3.54Å; V480-L490 HydrophobicContact CG1-CG 4.13Å; V480-L494 HydrophobicContact CG2-CD2 4.18Å; V480-P511 HydrophobicContact CB-CB 4.34Å; V480-P511 HydrophobicContact CB-CG 4.32Å; V480-P511 HydrophobicContact CG2-CB 3.67Å; V480-P511 HydrophobicContact CG2-CG 3.6Å; V480-Q512 PolarHBondContact N-O 2.83Å; V480-F514 PolarHBondContact O-N 2.95Å; V480-L540 CarbonylContact C-O 3.57Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.05Å; V480-L540 HydrophobicContact CG2-CB 4.29Å
481	I	98.5	Very high	95.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.7	174.1	-57.4	170	0	0	0	108.9	F514 I516 Y524 A527 M528 I539 L540 C541 L542	I481-F514 WeakPolarHBondContact CA-O 3.41Å; I481-F514 HydrophobicContact CG1-CB 3.96Å; I481-I516 HydrophobicContact CG2-CD1 4.05Å; I481-I516 HydrophobicContact CG2-CG2 4.31Å; I481-Y524 HydrophobicContact CG2-CD1 3.72Å; I481-Y524 HydrophobicContact CG2-CE1 4.17Å; I481-A527 HydrophobicContact CD1-CB 4.06Å; I481-A527 HydrophobicContact CG1-CB 4.33Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I481-M528 HydrophobicContact CD1-CB 4.23Å; I481-M528 HydrophobicContact CD1-CG 3.37Å; I481-I539 HydrophobicContact CD1-CG2 3.76Å; I481-I539 HydrophobicContact CG1-CG2 4.1Å; I481-L540 PolarHBondContact N-O 3.24Å; I481-C541 WeakPolarHBondContact O-CA 3.5Å; I481-L542 PolarHBondContact O-N 2.94Å
482	A	98	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	146.5	-177.7	0	0	0	0	0	112.6	L490 F514 I515 I516 L542	A482-L490 HydrophobicContact CB-CD2 3.88Å; A482-F514 PolarHBondContact N-O 3.4Å; A482-I515 WeakPolarHBondContact O-CA 3.44Å; A482-I516 WeakPolarHBondContact O-CG1 3.42Å; A482-I516 PolarHBondContact O-N 3.43Å; A482-L542 HydrophobicContact CB-CB 4.02Å; A482-L542 HydrophobicContact CB-CD2 4.34Å
483	P	96.8	Very high	96.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.013	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	140.5	171.9	-21.4	34.5	0	0	0	112.5	R485 N486 I516 D519 Y524 L542	P483-R485 HydrophobicContact CB-CG 4.22Å; P483-R485 PolarHBondContact O-N 3.12Å; P483-R485 VanDerWaalsContact O-N 3.14Å; P483-N486 WeakPolarHBondContact O-CA 3.28Å; P483-N486 PolarHBondContact O-N 3.02Å; P483-I516 CarbonylContact C-O 3.5Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.39Å; P483-I516 HydrophobicContact CG-CG1 4.46Å; P483-D519 HydrophobicContact CG-CB 4.08Å; P483-Y524 WeakPolarHBondContact CD-OH 3.49Å; P483-Y524 VanDerWaalsContact CG-OH 3.3Å; P483-Y524 WeakPolarHBondContact CG-OH 3.3Å; P483-L542 WeakPolarHBondContact CD-O 3.36Å
484	Q	95.9	Very high	96.5	Very high	116 Å²	116	41 Å²	41	54%	0.542	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-52.4	-38.6	-178.8	-171.9	-179.6	-0.2	0	0	113.6	N486 S487 I515 I516	Q484-N486 PolarHBondContact O-N 2.97Å; Q484-S487 PolarHBondContact O-N 3.28Å; Q484-S487 PolarHBondContact O-OG 3.11Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.6Å; Q484-I515 HydrophobicContact CG-CG2 4.01Å; Q484-I516 PolarHBondContact N-O 2.85Å
485	R	95.8	Very high	96.6	Very high	150 Å²	150	44.8 Å²	44.8	57%	0.566	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-64.2	-6.2	175.8	74	-177.5	-173.1	-152.4	-4.9	114.6	P483 D519	P483-R485 HydrophobicContact CB-CG 4.22Å; P483-R485 PolarHBondContact O-N 3.12Å; P483-R485 VanDerWaalsContact O-N 3.14Å; R485-D519 IonicContact CZ-OD2 3.36Å; R485-D519 IonicContact NH1-OD1 2.81Å; R485-D519 IonicContact NH1-OD2 3.19Å; R485-D519 VanDerWaalsContact NH2-CG 3.28Å; R485-D519 IonicContact NH2-OD2 3.95Å; R485-D519 PolarHBondContact NH2-OD2 2.98Å
486	N	95.4	Very high	96.7	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.048	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-124.8	13.2	-175.4	-65.6	127	0	0	0	113.9	P483 Q484 H488 E489 L490 L542 L571	P483-N486 WeakPolarHBondContact O-CA 3.28Å; P483-N486 PolarHBondContact O-N 3.02Å; Q484-N486 PolarHBondContact O-N 2.97Å; N486-H488 VanDerWaalsContact C-N 3.26Å; N486-H488 PolarHBondContact O-N 3.43Å; N486-E489 VanDerWaalsContact CA-OE2 3.31Å; N486-E489 WeakPolarHBondContact CA-OE2 3.3Å; N486-E489 PolarHBondContact ND2-OE1 3.48Å; N486-E489 PolarHBondContact ND2-OE2 3.06Å; N486-E489 PolarHBondContact O-N 3.28Å; N486-L490 PolarHBondContact O-N 3.28Å; N486-L542 HydrophobicContact CB-CD2 4.35Å; N486-L571 HydrophobicContact CB-CD1 4.19Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.46Å
487	S	94.4	Very high	96.9	Very high	26 Å²	26	43.5 Å²	43.5	18%	0.182	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-27.1	178.9	-56.7	0	0	0	0	113.7	Q484 R491	Q484-S487 PolarHBondContact O-N 3.28Å; Q484-S487 PolarHBondContact O-OG 3.11Å; S487-R491 WeakPolarHBondContact O-CG 3.1Å; S487-R491 PolarHBondContact O-N 3.38Å; S487-R491 VanDerWaalsContact O-N 3.12Å
488	H	95.8	Very high	97	Very high	142 Å²	142	40.1 Å²	40.1	66%	0.657	18%	0.183	S	C	*	.	H	α-helix	trans	-68.3	-50.6	173.5	176	75.8	0	0	0	111.4	N486 L490 R491 T492	N486-H488 VanDerWaalsContact C-N 3.26Å; N486-H488 PolarHBondContact O-N 3.43Å; H488-L490 PolarHBondContact O-N 3.14Å; H488-R491 PolarHBondContact O-N 3.35Å; H488-T492 PolarHBondContact O-N 2.88Å; H488-T492 PolarHBondContact O-OG1 2.92Å
489	E	96.7	Very high	96.8	Very high	24 Å²	24	48.5 Å²	48.5	11%	0.112	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-27.4	175.8	-65.5	101.1	142.2	0	0	113.3	N486 L493 L571 T574 K575	N486-E489 VanDerWaalsContact CA-OE2 3.31Å; N486-E489 WeakPolarHBondContact CA-OE2 3.3Å; N486-E489 PolarHBondContact ND2-OE1 3.48Å; N486-E489 PolarHBondContact ND2-OE2 3.06Å; N486-E489 PolarHBondContact O-N 3.28Å; E489-L493 WeakPolarHBondContact O-CB 3.36Å; E489-L493 PolarHBondContact O-N 2.99Å; E489-L571 HydrophobicContact CB-CD1 3.65Å; E489-L571 HydrophobicContact CG-CD1 3.72Å; E489-T574 WeakPolarHBondContact CB-OG1 3.18Å; E489-K575 VanDerWaalsContact CG-CE 3.49Å; E489-K575 HydrophobicContact CG-CG 4.45Å; E489-K575 WeakPolarHBondContact OE1-CE 3.43Å; E489-K575 IonicContact OE1-NZ 3.62Å; E489-K575 PolarHBondContact OE1-NZ 2.89Å
490	L	96.9	Very high	96.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-49.8	172.4	175.7	62.2	0	0	0	111.9	V480 A482 N486 H488 T492 L493 L494 I515 L542	V480-L490 HydrophobicContact CG1-CD1 3.49Å; V480-L490 VanDerWaalsContact CG1-CD1 3.49Å; V480-L490 HydrophobicContact CG1-CD2 3.54Å; V480-L490 HydrophobicContact CG1-CG 4.13Å; A482-L490 HydrophobicContact CB-CD2 3.88Å; N486-L490 PolarHBondContact O-N 3.28Å; H488-L490 PolarHBondContact O-N 3.14Å; L490-T492 VanDerWaalsContact C-N 3.34Å; L490-T492 PolarHBondContact O-N 2.88Å; L490-L493 WeakPolarHBondContact O-CA 3.48Å; L490-L493 WeakPolarHBondContact O-CB 2.88Å; L490-L493 PolarHBondContact O-N 3.25Å; L490-L493 VanDerWaalsContact O-N 3.08Å; L490-L494 HydrophobicContact CD1-CD1 4.04Å; L490-L494 HydrophobicContact CD1-CD2 4.44Å; L490-L494 HydrophobicContact CD1-CG 3.96Å; L490-L494 HydrophobicContact CD2-CD1 4.42Å; L490-L494 HydrophobicContact CG-CD1 3.93Å; L490-L494 HydrophobicContact CG-CG 4.26Å; L490-L494 WeakPolarHBondContact O-CG 3.32Å; L490-L494 PolarHBondContact O-N 3.26Å; L490-I515 HydrophobicContact CD2-CD1 4.49Å; L490-L542 HydrophobicContact CB-CD2 3.8Å; L490-L542 HydrophobicContact CD1-CD2 4.31Å
491	R	96.8	Very high	96.5	Very high	157 Å²	157	48.9 Å²	48.9	59%	0.592	22%	0.218	S	C	*	.	H	α-helix	trans	-57.7	-47.6	179.7	-72.3	174.2	-177.1	-178.9	1.1	111.2	S487 H488 L493 L494 D495	S487-R491 WeakPolarHBondContact O-CG 3.1Å; S487-R491 PolarHBondContact O-N 3.38Å; S487-R491 VanDerWaalsContact O-N 3.12Å; H488-R491 PolarHBondContact O-N 3.35Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 PolarHBondContact O-N 3.46Å; R491-L494 PolarHBondContact O-N 3.23Å; R491-D495 PolarHBondContact O-N 2.77Å
492	T	97	Very high	96.2	Very high	54 Å²	54	52.3 Å²	52.3	33%	0.331	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-34.5	175.5	-55.2	0	0	0	0	113.3	H488 L490 S496 L579	H488-T492 PolarHBondContact O-N 2.88Å; H488-T492 PolarHBondContact O-OG1 2.92Å; L490-T492 VanDerWaalsContact C-N 3.34Å; L490-T492 PolarHBondContact O-N 2.88Å; T492-S496 WeakPolarHBondContact O-CB 3.39Å; T492-S496 PolarHBondContact O-N 3.4Å; T492-S496 PolarHBondContact O-OG 2.91Å; T492-L579 HydrophobicContact CG2-CD2 3.93Å
493	L	97.9	Very high	95.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-44.8	172.4	175.9	66.1	0	0	0	112.1	E489 L490 R491 S496 L497 L540 L542 V569 T574 L579 I586	E489-L493 WeakPolarHBondContact O-CB 3.36Å; E489-L493 PolarHBondContact O-N 2.99Å; L490-L493 WeakPolarHBondContact O-CA 3.48Å; L490-L493 WeakPolarHBondContact O-CB 2.88Å; L490-L493 PolarHBondContact O-N 3.25Å; L490-L493 VanDerWaalsContact O-N 3.08Å; R491-L493 VanDerWaalsContact C-N 3.26Å; R491-L493 PolarHBondContact O-N 3.46Å; L493-S496 PolarHBondContact O-N 3.48Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.42Å; L493-L497 PolarHBondContact O-N 3.03Å; L493-L540 HydrophobicContact CD2-CD2 4.37Å; L493-L542 HydrophobicContact CD2-CD1 4.41Å; L493-V569 HydrophobicContact CD1-CG1 4.34Å; L493-V569 HydrophobicContact CD2-CB 4.13Å; L493-V569 HydrophobicContact CD2-CG1 3.94Å; L493-V569 HydrophobicContact CD2-CG2 4.21Å; L493-T574 HydrophobicContact CB-CG2 3.85Å; L493-T574 HydrophobicContact CD1-CG2 4.3Å; L493-T574 HydrophobicContact CD2-CG2 3.99Å; L493-T574 HydrophobicContact CG-CG2 4.26Å; L493-L579 HydrophobicContact CD1-CD1 4.16Å; L493-I586 HydrophobicContact CD1-CD1 4.23Å
494	L	97.9	Very high	95.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-46.2	-179.7	-69.5	177.2	0	0	0	111.6	W478 V480 L490 R491 S496 L497 Y498 P511	W478-L494 HydrophobicContact CH2-CD2 3.65Å; W478-L494 HydrophobicContact CZ2-CD2 4.3Å; V480-L494 HydrophobicContact CG2-CD2 4.18Å; L490-L494 HydrophobicContact CD1-CD1 4.04Å; L490-L494 HydrophobicContact CD1-CD2 4.44Å; L490-L494 HydrophobicContact CD1-CG 3.96Å; L490-L494 HydrophobicContact CD2-CD1 4.42Å; L490-L494 HydrophobicContact CG-CD1 3.93Å; L490-L494 HydrophobicContact CG-CG 4.26Å; L490-L494 WeakPolarHBondContact O-CG 3.32Å; L490-L494 PolarHBondContact O-N 3.26Å; R491-L494 PolarHBondContact O-N 3.23Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.2Å; L494-L497 CarbonylContact O-C 3.49Å; L494-L497 WeakPolarHBondContact O-CA 3.04Å; L494-L497 WeakPolarHBondContact O-CB 3.45Å; L494-L497 PolarHBondContact O-N 2.88Å; L494-Y498 HydrophobicContact CB-CE2 3.84Å; L494-Y498 WeakPolarHBondContact O-CD2 3.39Å; L494-Y498 VanDerWaalsContact O-CG 3.22Å; L494-Y498 PolarHBondContact O-N 3.36Å; L494-P511 HydrophobicContact CD1-CG 4.15Å; L494-P511 HydrophobicContact CD2-CG 4.44Å
495	D	96.9	Very high	95.5	Very high	80 Å²	80	50.1 Å²	50.1	43%	0.428	25%	0.251	S	S	.	.	H	α-helix	trans	-57.7	-42.9	176	-67.6	-31.9	0	0	0	112	R491 L497 R499	R491-D495 PolarHBondContact O-N 2.77Å; D495-L497 VanDerWaalsContact C-N 3.33Å; D495-R499 WeakPolarHBondContact O-CB 3.41Å; D495-R499 WeakPolarHBondContact O-CD 3.49Å; D495-R499 VanDerWaalsContact O-CG 3.23Å; D495-R499 WeakPolarHBondContact O-CG 3.25Å; D495-R499 PolarHBondContact O-N 3.2Å
496	S	96.8	Very high	95.6	Very high	15 Å²	15	43 Å²	43	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-65.2	-37.9	175.5	-59.2	0	0	0	0	112	T492 L493 L494 A500 L579 A583	T492-S496 WeakPolarHBondContact O-CB 3.39Å; T492-S496 PolarHBondContact O-N 3.4Å; T492-S496 PolarHBondContact O-OG 2.91Å; L493-S496 PolarHBondContact O-N 3.48Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.2Å; S496-A500 VanDerWaalsContact O-CB 3.23Å; S496-A500 WeakPolarHBondContact O-CB 3.44Å; S496-A500 PolarHBondContact O-N 2.84Å; S496-L579 VanDerWaalsContact OG-CD2 3.25Å; S496-L579 WeakPolarHBondContact OG-CD2 3.28Å; S496-A583 WeakPolarHBondContact O-CB 3.18Å
497	L	97.1	Very high	95.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-70.1	-45.2	178.9	-175.6	68.9	0	0	0	112	W478 L493 L494 D495 R499 A500 A501 I508 I586 A587 L590	W478-L497 HydrophobicContact CH2-CD2 3.99Å; L493-L497 VanDerWaalsContact O-CB 3.3Å; L493-L497 WeakPolarHBondContact O-CB 3.42Å; L493-L497 PolarHBondContact O-N 3.03Å; L494-L497 CarbonylContact O-C 3.49Å; L494-L497 WeakPolarHBondContact O-CA 3.04Å; L494-L497 WeakPolarHBondContact O-CB 3.45Å; L494-L497 PolarHBondContact O-N 2.88Å; D495-L497 VanDerWaalsContact C-N 3.33Å; L497-R499 PolarHBondContact O-N 3.49Å; L497-A500 PolarHBondContact O-N 3.42Å; L497-A501 WeakPolarHBondContact O-CB 3.42Å; L497-A501 PolarHBondContact O-N 3.45Å; L497-I508 HydrophobicContact CD2-CD1 4.4Å; L497-I508 HydrophobicContact CG-CD1 4.13Å; L497-I586 HydrophobicContact CD1-CB 4.18Å; L497-I586 HydrophobicContact CD1-CG2 3.78Å; L497-A587 HydrophobicContact CD1-CB 3.94Å; L497-L590 HydrophobicContact CD1-CD1 4.22Å; L497-L590 HydrophobicContact CD2-CD1 4Å
498	Y	97	Very high	95.7	Very high	53 Å²	53	48.2 Å²	48.2	21%	0.208	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-47.8	176.7	-58	-43.6	0	0	0	111.1	W478 L494 S502 I508 P511	W478-Y498 HydrophobicContact CZ2-CE1 4.28Å; L494-Y498 HydrophobicContact CB-CE2 3.84Å; L494-Y498 WeakPolarHBondContact O-CD2 3.39Å; L494-Y498 VanDerWaalsContact O-CG 3.22Å; L494-Y498 PolarHBondContact O-N 3.36Å; Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.33Å; Y498-S502 PolarHBondContact O-N 3.41Å; Y498-S502 PolarHBondContact O-OG 3.36Å; Y498-I508 HydrophobicContact CD1-CB 4.17Å; Y498-I508 HydrophobicContact CD1-CG2 3.92Å; Y498-I508 HydrophobicContact CE1-CG2 3.88Å; Y498-P511 WeakPolarHBondContact OH-CD 3.34Å
499	R	94.9	Very high	95.7	Very high	184 Å²	184	48 Å²	48	69%	0.694	23%	0.233	S	C	*	.	H	α-helix	trans	-61	-47.8	178.2	-69.3	171.3	-169.9	-154.3	2.8	111.4	D495 L497 G503 M580	D495-R499 WeakPolarHBondContact O-CB 3.41Å; D495-R499 WeakPolarHBondContact O-CD 3.49Å; D495-R499 VanDerWaalsContact O-CG 3.23Å; D495-R499 WeakPolarHBondContact O-CG 3.25Å; D495-R499 PolarHBondContact O-N 3.2Å; L497-R499 PolarHBondContact O-N 3.49Å; R499-G503 PolarHBondContact O-N 2.98Å; R499-M580 HydrophobicContact CB-CE 3.86Å; R499-M580 HydrophobicContact CB-SD 4.44Å
500	A	94.5	Very high	95.7	Very high	9 Å²	9	51.6 Å²	51.6	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-69.4	-39.8	-178.3	0	0	0	0	0	113.3	S496 L497 M504 M580 A583	S496-A500 VanDerWaalsContact O-CB 3.23Å; S496-A500 WeakPolarHBondContact O-CB 3.44Å; S496-A500 PolarHBondContact O-N 2.84Å; L497-A500 PolarHBondContact O-N 3.42Å; A500-M504 WeakPolarHBondContact O-CE 3.49Å; A500-M580 HydrophobicContact CB-CE 4.02Å; A500-A583 HydrophobicContact CB-CB 4.01Å
501	A	95.4	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.4	-42.1	178.8	0	0	0	0	0	112.1	L497 G503 M504 G505 L506 I508 A587	L497-A501 WeakPolarHBondContact O-CB 3.42Å; L497-A501 PolarHBondContact O-N 3.45Å; A501-G503 PolarHBondContact O-N 3.46Å; A501-M504 CarbonylContact O-C 3.58Å; A501-M504 PolarHBondContact O-N 2.98Å; A501-M504 VanDerWaalsContact O-N 3.16Å; A501-G505 PolarHBondContact O-N 2.62Å; A501-L506 CarbonylContact C-O 3.48Å; A501-L506 VanDerWaalsContact C-O 3.27Å; A501-L506 HydrophobicContact CB-CB 4.15Å; A501-L506 HydrophobicContact CB-CD2 4.28Å; A501-L506 HydrophobicContact CB-CG 4.32Å; A501-L506 WeakPolarHBondContact CB-O 3.47Å; A501-L506 PolarHBondContact O-N 2.89Å; A501-I508 HydrophobicContact CB-CD1 3.39Å; A501-I508 HydrophobicContact CB-CG1 3.8Å; A501-A587 HydrophobicContact CB-CB 3.79Å
502	S	92.4	Very high	95.8	Very high	71 Å²	71	49.2 Å²	49.2	50%	0.497	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-42	-178.5	-58.3	0	0	0	0	112.5	Y498 M504 G505	Y498-S502 VanDerWaalsContact O-CB 3.29Å; Y498-S502 WeakPolarHBondContact O-CB 3.33Å; Y498-S502 PolarHBondContact O-N 3.41Å; Y498-S502 PolarHBondContact O-OG 3.36Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 2.9Å; S502-G505 PolarHBondContact O-N 3.37Å
503	G	88.9	Confident	95.7	Very high	45 Å²	45	50.7 Å²	50.7	46%	0.464	26%	0.262	S	S	.	.	H	α-helix	trans	-59.7	-36.9	175	0	0	0	0	0	113	R499 A501 G505	R499-G503 PolarHBondContact O-N 2.98Å; A501-G503 PolarHBondContact O-N 3.46Å; G503-G505 VanDerWaalsContact C-N 3.27Å; G503-G505 PolarHBondContact O-N 2.9Å
504	M	93.8	Very high	95.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.7	175.2	-64.2	-172.3	-60.4	0	0	114.3	F462 R466 M467 A500 A501 S502 L506 T584 A587 I588	F462-M504 HydrophobicContact CB-SD 4.2Å; F462-M504 HydrophobicContact CD1-SD 4.12Å; F462-M504 WeakPolarHBondContact O-CG 3.5Å; R466-M504 WeakPolarHBondContact CA-O 3.42Å; M467-M504 HydrophobicContact CE-CB 3.99Å; M467-M504 HydrophobicContact CE-CE 4.25Å; M467-M504 HydrophobicContact CG-CB 4.23Å; M467-M504 PolarHBondContact N-O 3.08Å; M467-M504 HydrophobicContact SD-SD 4.5Å; A500-M504 WeakPolarHBondContact O-CE 3.49Å; A501-M504 CarbonylContact O-C 3.58Å; A501-M504 PolarHBondContact O-N 2.98Å; A501-M504 VanDerWaalsContact O-N 3.16Å; S502-M504 VanDerWaalsContact C-N 3.27Å; S502-M504 PolarHBondContact O-N 2.9Å; M504-L506 PolarHBondContact O-N 3.35Å; M504-T584 HydrophobicContact CE-CG2 3.97Å; M504-T584 WeakPolarHBondContact CE-O 3.4Å; M504-T584 HydrophobicContact SD-CG2 3.55Å; M504-T584 VanDerWaalsContact SD-CG2 3.55Å; M504-A587 HydrophobicContact CE-CB 3.47Å; M504-A587 VanDerWaalsContact CE-CB 3.47Å; M504-I588 HydrophobicContact CE-CG1 3.9Å; M504-I588 HydrophobicContact SD-CD1 3.98Å; M504-I588 HydrophobicContact SD-CG1 3.65Å
505	G	94.2	Very high	95.6	Very high	26 Å²	26	55.5 Å²	55.5	27%	0.268	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	5.4	179.3	0	0	0	0	0	115.9	A501 S502 G503 R507	A501-G505 PolarHBondContact O-N 2.62Å; S502-G505 PolarHBondContact O-N 3.37Å; G503-G505 VanDerWaalsContact C-N 3.27Å; G503-G505 PolarHBondContact O-N 2.9Å; G505-R507 PolarHBondContact O-N 2.78Å
506	L	96.2	Very high	95.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.			trans	-87.8	98.8	172.3	177.1	65.1	0	0	0	109.4	M467 T470 P471 A501 M504 I508 N591	M467-L506 HydrophobicContact CE-CB 3.69Å; M467-L506 HydrophobicContact CE-CD2 4.31Å; T470-L506 HydrophobicContact CG2-CB 4.36Å; P471-L506 HydrophobicContact CG-CD1 4Å; A501-L506 CarbonylContact C-O 3.48Å; A501-L506 VanDerWaalsContact C-O 3.27Å; A501-L506 HydrophobicContact CB-CB 4.15Å; A501-L506 HydrophobicContact CB-CD2 4.28Å; A501-L506 HydrophobicContact CB-CG 4.32Å; A501-L506 WeakPolarHBondContact CB-O 3.47Å; A501-L506 PolarHBondContact O-N 2.89Å; M504-L506 PolarHBondContact O-N 3.35Å; L506-I508 HydrophobicContact CD2-CD1 4.06Å; L506-I508 HydrophobicContact CD2-CG1 4.22Å; L506-I508 HydrophobicContact CG-CD1 4.35Å; L506-I508 HydrophobicContact CG-CG1 3.97Å; L506-I508 PolarHBondContact O-N 2.8Å; L506-N591 HydrophobicContact CD2-CB 4.31Å
507	R	96.1	Very high	95.5	Very high	127 Å²	127	61.8 Å²	61.8	48%	0.479	30%	0.303	S	S	.	.			trans	-63.1	123.7	170.4	-177.7	171.8	73	-161	2.4	109.3	S472 D473 G474 L475 G505	S472-R507 PolarHBondContact O-NH2 2.88Å; D473-R507 PolarHBondContact O-NE 3.13Å; D473-R507 VanDerWaalsContact O-NE 3.12Å; D473-R507 PolarHBondContact O-NH2 3.41Å; G474-R507 CarbonylContact C-O 3.44Å; G474-R507 WeakPolarHBondContact CA-O 3.29Å; L475-R507 PolarHBondContact N-O 3.04Å; G505-R507 PolarHBondContact O-N 2.78Å
508	I	96.9	Very high	95.3	Very high	19 Å²	19	63.5 Å²	63.5	10%	0.097	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-120.8	129.3	172.8	-58.1	-173.9	0	0	0	107.6	L475 W478 L497 Y498 A501 L506 L590	L475-I508 HydrophobicContact CB-CB 4.47Å; L475-I508 HydrophobicContact CB-CG1 4.12Å; L475-I508 HydrophobicContact CB-CG2 4.33Å; L475-I508 HydrophobicContact CD2-CG2 4.39Å; W478-I508 HydrophobicContact CH2-CG2 4.49Å; W478-I508 HydrophobicContact CZ2-CG2 3.51Å; L497-I508 HydrophobicContact CD2-CD1 4.4Å; L497-I508 HydrophobicContact CG-CD1 4.13Å; Y498-I508 HydrophobicContact CD1-CB 4.17Å; Y498-I508 HydrophobicContact CD1-CG2 3.92Å; Y498-I508 HydrophobicContact CE1-CG2 3.88Å; A501-I508 HydrophobicContact CB-CD1 3.39Å; A501-I508 HydrophobicContact CB-CG1 3.8Å; L506-I508 HydrophobicContact CD2-CD1 4.06Å; L506-I508 HydrophobicContact CD2-CG1 4.22Å; L506-I508 HydrophobicContact CG-CD1 4.35Å; L506-I508 HydrophobicContact CG-CG1 3.97Å; L506-I508 PolarHBondContact O-N 2.8Å; I508-L590 HydrophobicContact CD1-CD1 4.27Å
509	R	96.1	Very high	95.1	Very high	136 Å²	136	62.8 Å²	62.8	51%	0.513	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-90.2	168.8	171.3	-64.9	-171.8	177.2	164.7	-2.7	110.6	L475 W478	L475-R509 PolarHBondContact O-N 2.64Å; W478-R509 PolarHBondContact NE1-O 2.75Å
510	S	96.7	Very high	95.1	Very high	100 Å²	100	61.9 Å²	61.9	70%	0.699	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-58.8	136	172.7	-52.7	0	0	0	0	111.4
511	P	97.4	Very high	95.2	Very high	18 Å²	18	62.7 Å²	62.7	12%	0.117	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-77.6	164.6	177.4	30.8	-33.8	0	0	0	112.5	W478 V480 L494 Y498 E513	W478-P511 HydrophobicContact CD2-CB 3.84Å; W478-P511 HydrophobicContact CE3-CB 4.21Å; W478-P511 HydrophobicContact CG-CB 4.33Å; W478-P511 HydrophobicContact CH2-CB 4.22Å; W478-P511 HydrophobicContact CH2-CG 4.22Å; W478-P511 HydrophobicContact CZ2-CB 3.83Å; W478-P511 HydrophobicContact CZ2-CG 3.89Å; W478-P511 HydrophobicContact CZ3-CB 4.39Å; W478-P511 WeakPolarHBondContact O-CA 3.47Å; V480-P511 HydrophobicContact CB-CB 4.34Å; V480-P511 HydrophobicContact CB-CG 4.32Å; V480-P511 HydrophobicContact CG2-CB 3.67Å; V480-P511 HydrophobicContact CG2-CG 3.6Å; L494-P511 HydrophobicContact CD1-CG 4.15Å; L494-P511 HydrophobicContact CD2-CG 4.44Å; Y498-P511 WeakPolarHBondContact OH-CD 3.34Å; P511-E513 PolarHBondContact O-N 2.76Å
512	Q	97.2	Very high	95.3	Very high	91 Å²	91	64.6 Å²	64.6	43%	0.425	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.8	157.6	-169	175.8	7.6	0	0	109.3	W478 A479 V480 F514 S534	W478-Q512 PolarHBondContact O-N 2.72Å; A479-Q512 VanDerWaalsContact CA-O 3.3Å; A479-Q512 WeakPolarHBondContact CA-O 3.37Å; A479-Q512 HydrophobicContact CB-CB 4.16Å; A479-Q512 WeakPolarHBondContact CB-O 3.43Å; V480-Q512 PolarHBondContact N-O 2.83Å; Q512-F514 HydrophobicContact CB-CE2 4.31Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.62Å; Q512-F514 HydrophobicContact CG-CZ 4.37Å; Q512-S534 PolarHBondContact OE1-OG 2.79Å
513	E	96.1	Very high	95.5	Very high	84 Å²	84	62 Å²	62	39%	0.393	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115.2	178.1	-69.6	-169.9	-170.7	0	0	111.6	P511 I515	P511-E513 PolarHBondContact O-N 2.76Å; E513-I515 HydrophobicContact CB-CD1 4.41Å
514	F	96.7	Very high	96	Very high	43 Å²	43	59.9 Å²	59.9	19%	0.189	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	90.3	170	-78.8	-93.2	0	0	0	109.5	A479 V480 I481 A482 Q512 D530 C531	A479-F514 HydrophobicContact CB-CD2 4.31Å; A479-F514 HydrophobicContact CB-CE2 4.42Å; V480-F514 PolarHBondContact O-N 2.95Å; I481-F514 WeakPolarHBondContact CA-O 3.41Å; I481-F514 HydrophobicContact CG1-CB 3.96Å; A482-F514 PolarHBondContact N-O 3.4Å; Q512-F514 HydrophobicContact CB-CE2 4.31Å; Q512-F514 HydrophobicContact CG-CD2 4.13Å; Q512-F514 HydrophobicContact CG-CE2 3.62Å; Q512-F514 HydrophobicContact CG-CZ 4.37Å; F514-D530 HydrophobicContact CE1-CB 4.44Å; F514-C531 HydrophobicContact CD2-CB 3.88Å; F514-C531 HydrophobicContact CE1-CB 4.23Å; F514-C531 HydrophobicContact CE2-CB 3.47Å; F514-C531 VanDerWaalsContact CE2-CB 3.47Å; F514-C531 HydrophobicContact CG-CB 4.41Å; F514-C531 VanDerWaalsContact CZ-CA 3.49Å; F514-C531 HydrophobicContact CZ-CB 3.68Å
515	I	97.2	Very high	96.2	Very high	62 Å²	62	60.7 Å²	60.7	32%	0.318	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.1	177.7	-56.1	-55.1	0	0	0	109.9	A482 Q484 L490 E513	A482-I515 WeakPolarHBondContact O-CA 3.44Å; Q484-I515 VanDerWaalsContact CA-CG2 3.48Å; Q484-I515 HydrophobicContact CB-CG2 3.6Å; Q484-I515 HydrophobicContact CG-CG2 4.01Å; L490-I515 HydrophobicContact CD2-CD1 4.49Å; E513-I515 HydrophobicContact CB-CD1 4.41Å
516	I	97.1	Very high	96.3	Very high	16 Å²	16	66.6 Å²	66.6	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.9	179.7	57.3	176.8	0	0	0	112	I481 A482 P483 Q484 D518 Y524 A527	I481-I516 HydrophobicContact CG2-CD1 4.05Å; I481-I516 HydrophobicContact CG2-CG2 4.31Å; A482-I516 WeakPolarHBondContact O-CG1 3.42Å; A482-I516 PolarHBondContact O-N 3.43Å; P483-I516 CarbonylContact C-O 3.5Å; P483-I516 VanDerWaalsContact CA-O 3.26Å; P483-I516 WeakPolarHBondContact CA-O 3.39Å; P483-I516 HydrophobicContact CG-CG1 4.46Å; Q484-I516 PolarHBondContact N-O 2.85Å; I516-D518 VanDerWaalsContact CD1-O 3.27Å; I516-D518 WeakPolarHBondContact CD1-O 3.48Å; I516-D518 WeakPolarHBondContact CG1-O 3.48Å; I516-Y524 HydrophobicContact CD1-CD1 4.05Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 4.02Å; I516-Y524 HydrophobicContact CD1-CE2 3.77Å; I516-Y524 HydrophobicContact CD1-CG 3.95Å; I516-A527 HydrophobicContact CG2-CB 3.78Å
517	Y	94.1	Very high	96.4	Very high	212 Å²	212	67 Å²	67	83%	0.831	31%	0.314	S	S	*	.	S	Bend	trans	-71.9	-31.3	-176.7	-58.7	-68.1	0	0	0	113.9
518	D	92.8	Very high	96.4	Very high	36 Å²	36	61.1 Å²	61.1	19%	0.193	29%	0.292	C	S	.	.			trans	-130.4	172.3	-179.7	74	58.1	0	0	0	112.1	I516 R520 T523	I516-D518 VanDerWaalsContact CD1-O 3.27Å; I516-D518 WeakPolarHBondContact CD1-O 3.48Å; I516-D518 WeakPolarHBondContact CG1-O 3.48Å; D518-R520 VanDerWaalsContact CG-NE 3.29Å; D518-R520 WeakPolarHBondContact OD1-CB 3.47Å; D518-R520 WeakPolarHBondContact OD1-CG 3.44Å; D518-R520 PolarHBondContact OD1-N 2.93Å; D518-R520 IonicContact OD1-NE 2.86Å; D518-R520 PolarHBondContact OD1-NE 3.28Å; D518-R520 IonicContact OD2-CZ 3.54Å; D518-R520 IonicContact OD2-NE 3.67Å; D518-R520 PolarHBondContact OD2-NE 3.08Å; D518-R520 IonicContact OD2-NH2 3.5Å; D518-R520 PolarHBondContact OD2-NH2 3.29Å; D518-T523 PolarHBondContact O-OG1 3.07Å; D518-T523 WeakPolarHBondContact OD1-CB 3.35Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.34Å; D518-T523 PolarHBondContact OD1-OG1 3Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.07Å
519	D	92.7	Very high	96.4	Very high	39 Å²	39	62.2 Å²	62.2	21%	0.209	30%	0.298	C	S	.	.			trans	-108.3	19.2	-179	68	-22.8	0	0	0	114.4	P483 R485 Y524 P544 R550	P483-D519 HydrophobicContact CG-CB 4.08Å; R485-D519 IonicContact CZ-OD2 3.36Å; R485-D519 IonicContact NH1-OD1 2.81Å; R485-D519 IonicContact NH1-OD2 3.19Å; R485-D519 VanDerWaalsContact NH2-CG 3.28Å; R485-D519 IonicContact NH2-OD2 3.95Å; R485-D519 PolarHBondContact NH2-OD2 2.98Å; D519-Y524 HydrophobicContact CB-CE2 4.3Å; D519-P544 HydrophobicContact CB-CG 3.88Å; D519-P544 WeakPolarHBondContact OD2-CG 3.3Å; D519-R550 VanDerWaalsContact O-CZ 3.23Å; D519-R550 PolarHBondContact O-NE 3.13Å; D519-R550 PolarHBondContact O-NH2 2.93Å; D519-R550 IonicContact OD2-NH2 2.69Å; D519-R550 PolarHBondContact OD2-NH2 3.06Å
520	R	95.6	Very high	96.3	Very high	164 Å²	164	59.1 Å²	59.1	62%	0.619	29%	0.292	S	S	*	.			trans	-67.8	152.2	178.7	-62.3	-177.7	-73.7	-174	-8.9	111.3	D518 G522 T523 Y524	D518-R520 VanDerWaalsContact CG-NE 3.29Å; D518-R520 WeakPolarHBondContact OD1-CB 3.47Å; D518-R520 WeakPolarHBondContact OD1-CG 3.44Å; D518-R520 PolarHBondContact OD1-N 2.93Å; D518-R520 IonicContact OD1-NE 2.86Å; D518-R520 PolarHBondContact OD1-NE 3.28Å; D518-R520 IonicContact OD2-CZ 3.54Å; D518-R520 IonicContact OD2-NE 3.67Å; D518-R520 PolarHBondContact OD2-NE 3.08Å; D518-R520 IonicContact OD2-NH2 3.5Å; D518-R520 PolarHBondContact OD2-NH2 3.29Å; R520-G522 PolarHBondContact O-N 3.13Å; R520-T523 PolarHBondContact N-OG1 2.98Å; R520-T523 PolarHBondContact O-N 2.97Å; R520-T523 PolarHBondContact O-OG1 2.95Å; R520-Y524 WeakPolarHBondContact O-CD2 3.46Å
521	T	96.6	Very high	96.2	Very high	27 Å²	27	54.4 Å²	54.4	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-40.3	178.3	-55.4	0	0	0	0	112.3	T523 V525 E549 S553	T521-T523 PolarHBondContact O-N 3.07Å; T521-V525 VanDerWaalsContact O-CG2 3.31Å; T521-V525 WeakPolarHBondContact O-CG2 3.19Å; T521-V525 PolarHBondContact O-N 3.17Å; T521-E549 WeakPolarHBondContact CB-OE1 3.39Å; T521-E549 PolarHBondContact OG1-OE1 3.02Å; T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.37Å
522	G	97	Very high	96	Very high	40 Å²	40	54.8 Å²	54.8	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-73.1	-11.9	-179	0	0	0	0	0	117	R520 R526	R520-G522 PolarHBondContact O-N 3.13Å; G522-R526 WeakPolarHBondContact O-CG 3.4Å; G522-R526 PolarHBondContact O-N 3.16Å; G522-R526 PolarHBondContact O-NE 2.91Å
523	T	97.2	Very high	95.8	Very high	16 Å²	16	59.8 Å²	59.8	10%	0.098	28%	0.275	C	S	.	.	H	α-helix	trans	-86.8	-43.3	172.6	38.4	0	0	0	0	111.5	D518 R520 T521 V525 R526 A527	D518-T523 PolarHBondContact O-OG1 3.07Å; D518-T523 WeakPolarHBondContact OD1-CB 3.35Å; D518-T523 WeakPolarHBondContact OD1-CG2 3.34Å; D518-T523 PolarHBondContact OD1-OG1 3Å; D518-T523 WeakPolarHBondContact OD2-CG2 3.07Å; R520-T523 PolarHBondContact N-OG1 2.98Å; R520-T523 PolarHBondContact O-N 2.97Å; R520-T523 PolarHBondContact O-OG1 2.95Å; T521-T523 PolarHBondContact O-N 3.07Å; T523-V525 VanDerWaalsContact C-N 3.28Å; T523-V525 PolarHBondContact O-N 2.7Å; T523-R526 PolarHBondContact O-N 3.41Å; T523-A527 WeakPolarHBondContact O-CB 3.28Å; T523-A527 PolarHBondContact O-N 3.04Å
524	Y	98.1	Very high	95.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.3	-42.4	169.7	-72.4	-91.8	0	0	0	111.8	I481 P483 I516 D519 R520 M528 C541 L542 V543 P544 R550 I554	I481-Y524 HydrophobicContact CG2-CD1 3.72Å; I481-Y524 HydrophobicContact CG2-CE1 4.17Å; P483-Y524 WeakPolarHBondContact CD-OH 3.49Å; P483-Y524 VanDerWaalsContact CG-OH 3.3Å; P483-Y524 WeakPolarHBondContact CG-OH 3.3Å; I516-Y524 HydrophobicContact CD1-CD1 4.05Å; I516-Y524 HydrophobicContact CD1-CD2 3.82Å; I516-Y524 HydrophobicContact CD1-CE1 4.02Å; I516-Y524 HydrophobicContact CD1-CE2 3.77Å; I516-Y524 HydrophobicContact CD1-CG 3.95Å; D519-Y524 HydrophobicContact CB-CE2 4.3Å; R520-Y524 WeakPolarHBondContact O-CD2 3.46Å; Y524-M528 WeakPolarHBondContact O-CB 3.32Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.45Å; Y524-M528 PolarHBondContact O-N 2.64Å; Y524-C541 HydrophobicContact CD1-CB 4.24Å; Y524-C541 HydrophobicContact CE1-CB 4.3Å; Y524-L542 PolarHBondContact OH-O 3Å; Y524-L542 VanDerWaalsContact OH-O 3.05Å; Y524-V543 HydrophobicContact CE1-CG1 4.05Å; Y524-P544 WeakPolarHBondContact OH-CD 3.13Å; Y524-R550 HydrophobicContact CD2-CG 4.21Å; Y524-R550 HydrophobicContact CE2-CG 4.47Å; Y524-I554 HydrophobicContact CD1-CD1 3.91Å; Y524-I554 HydrophobicContact CG-CD1 4.03Å
525	V	97.6	Very high	95.5	Very high	18 Å²	18	60.6 Å²	60.6	11%	0.109	29%	0.287	C	S	.	.	H	α-helix	trans	-62.1	-49.2	179.5	167.6	0	0	0	0	111.7	T521 T523 M528 D529 R557	T521-V525 VanDerWaalsContact O-CG2 3.31Å; T521-V525 WeakPolarHBondContact O-CG2 3.19Å; T521-V525 PolarHBondContact O-N 3.17Å; T523-V525 VanDerWaalsContact C-N 3.28Å; T523-V525 PolarHBondContact O-N 2.7Å; V525-M528 WeakPolarHBondContact O-CB 3.47Å; V525-M528 PolarHBondContact O-N 3.39Å; V525-D529 PolarHBondContact O-N 3.04Å; V525-R557 HydrophobicContact CG1-CG 3.91Å; V525-R557 HydrophobicContact CG2-CG 4.06Å
526	R	97.2	Very high	95.5	Very high	150 Å²	150	57.9 Å²	57.9	57%	0.566	27%	0.274	S	S	*	.	H	α-helix	trans	-62.8	-46.6	177.3	-74.5	-178.9	-69.8	163.4	1.1	111.9	G522 T523 M528 D529 D530	G522-R526 WeakPolarHBondContact O-CG 3.4Å; G522-R526 PolarHBondContact O-N 3.16Å; G522-R526 PolarHBondContact O-NE 2.91Å; T523-R526 PolarHBondContact O-N 3.41Å; R526-M528 PolarHBondContact O-N 3.05Å; R526-D529 PolarHBondContact O-N 3.27Å; R526-D530 PolarHBondContact O-N 2.82Å
527	A	97.4	Very high	95.5	Very high	9 Å²	9	60.3 Å²	60.3	7%	0.074	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-32.5	175.8	0	0	0	0	0	112.8	I481 I516 T523 C531	I481-A527 HydrophobicContact CD1-CB 4.06Å; I481-A527 HydrophobicContact CG1-CB 4.33Å; I481-A527 HydrophobicContact CG2-CB 3.94Å; I516-A527 HydrophobicContact CG2-CB 3.78Å; T523-A527 WeakPolarHBondContact O-CB 3.28Å; T523-A527 PolarHBondContact O-N 3.04Å; A527-C531 WeakPolarHBondContact O-CB 3.28Å; A527-C531 PolarHBondContact O-N 2.98Å
528	M	97.4	Very high	95.7	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-68.6	-47.4	170.5	-75.3	-178.7	67.7	0	0	112.3	I481 Y524 V525 R526 D530 C531 V532 I554 R557 T566	I481-M528 HydrophobicContact CD1-CB 4.23Å; I481-M528 HydrophobicContact CD1-CG 3.37Å; Y524-M528 WeakPolarHBondContact O-CB 3.32Å; Y524-M528 VanDerWaalsContact O-CG 3.3Å; Y524-M528 WeakPolarHBondContact O-CG 3.45Å; Y524-M528 PolarHBondContact O-N 2.64Å; V525-M528 WeakPolarHBondContact O-CB 3.47Å; V525-M528 PolarHBondContact O-N 3.39Å; R526-M528 PolarHBondContact O-N 3.05Å; M528-D530 VanDerWaalsContact C-N 3.29Å; M528-D530 PolarHBondContact O-N 2.89Å; M528-C531 PolarHBondContact O-N 3.24Å; M528-V532 VanDerWaalsContact O-CG2 3.22Å; M528-V532 WeakPolarHBondContact O-CG2 3.13Å; M528-V532 PolarHBondContact O-N 2.87Å; M528-I554 WeakPolarHBondContact CE-O 3.48Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.21Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; M528-R557 HydrophobicContact CE-CB 4.2Å; M528-R557 HydrophobicContact SD-CB 4.48Å; M528-T566 HydrophobicContact CE-CG2 3.85Å
529	D	95.6	Very high	96	Very high	42 Å²	42	48.5 Å²	48.5	23%	0.225	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-32.7	179.8	-80.2	-53.2	0	0	0	112.7	V525 R526 R557 R562	V525-D529 PolarHBondContact O-N 3.04Å; R526-D529 PolarHBondContact O-N 3.27Å; D529-R557 IonicContact OD2-NE 2.75Å; D529-R562 IonicContact OD1-CZ 2.68Å; D529-R562 VanDerWaalsContact OD1-CZ 3.23Å; D529-R562 IonicContact OD1-NE 3.78Å; D529-R562 PolarHBondContact OD1-NE 3.13Å; D529-R562 IonicContact OD1-NH2 2.64Å; D529-R562 PolarHBondContact OD1-NH2 2.96Å
530	D	94.9	Very high	96.3	Very high	72 Å²	72	46.6 Å²	46.6	39%	0.385	23%	0.225	S	C	.	.	H	α-helix	trans	-75.4	-41.3	172.5	-63.6	-35.5	0	0	0	112.1	F514 R526 M528 V532 R533	F514-D530 HydrophobicContact CE1-CB 4.44Å; R526-D530 PolarHBondContact O-N 2.82Å; M528-D530 VanDerWaalsContact C-N 3.29Å; M528-D530 PolarHBondContact O-N 2.89Å; D530-V532 PolarHBondContact O-N 3.25Å; D530-R533 WeakPolarHBondContact O-CB 3.39Å; D530-R533 VanDerWaalsContact O-CG 3.32Å; D530-R533 WeakPolarHBondContact O-CG 3.12Å; D530-R533 PolarHBondContact O-N 2.9Å; D530-R533 IonicContact OD1-CZ 2.72Å; D530-R533 IonicContact OD1-NE 3.14Å; D530-R533 IonicContact OD1-NH2 2.64Å; D530-R533 PolarHBondContact OD1-NH2 2.76Å
531	C	93.8	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65.6	-33.8	177.1	173.8	0	0	0	0	113.6	A479 F514 A527 M528 R533 S534 P536 I539	A479-C531 WeakPolarHBondContact CB-SG 3.4Å; F514-C531 HydrophobicContact CD2-CB 3.88Å; F514-C531 HydrophobicContact CE1-CB 4.23Å; F514-C531 HydrophobicContact CE2-CB 3.47Å; F514-C531 VanDerWaalsContact CE2-CB 3.47Å; F514-C531 HydrophobicContact CG-CB 4.41Å; F514-C531 VanDerWaalsContact CZ-CA 3.49Å; F514-C531 HydrophobicContact CZ-CB 3.68Å; A527-C531 WeakPolarHBondContact O-CB 3.28Å; A527-C531 PolarHBondContact O-N 2.98Å; M528-C531 PolarHBondContact O-N 3.24Å; C531-R533 PolarHBondContact O-N 2.81Å; C531-R533 VanDerWaalsContact O-N 3.14Å; C531-S534 PolarHBondContact O-N 3.2Å; C531-S534 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-OG 2.64Å; C531-S534 VanDerWaalsContact O-OG 3.06Å; C531-P536 WeakPolarHBondContact O-CD 3.48Å; C531-I539 HydrophobicContact CB-CD1 4.42Å
532	V	93.5	Very high	96.6	Very high	26 Å²	26	37.6 Å²	37.6	16%	0.158	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63	-21.5	179.9	168.4	0	0	0	0	111.8	M528 D530 S534 D535 I539 R562 V564	M528-V532 VanDerWaalsContact O-CG2 3.22Å; M528-V532 WeakPolarHBondContact O-CG2 3.13Å; M528-V532 PolarHBondContact O-N 2.87Å; D530-V532 PolarHBondContact O-N 3.25Å; V532-S534 PolarHBondContact O-N 2.83Å; V532-S534 VanDerWaalsContact O-N 3.15Å; V532-D535 PolarHBondContact O-N 3.1Å; V532-I539 HydrophobicContact CG2-CD1 4.06Å; V532-R562 HydrophobicContact CG2-CG 4.35Å; V532-V564 HydrophobicContact CG1-CG2 4.47Å; V532-V564 HydrophobicContact CG2-CG2 4.1Å
533	R	92.3	Very high	96.6	Very high	197 Å²	197	36 Å²	36	74%	0.743	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-64.2	-14.9	175.8	-50.7	-178.6	-159.5	-166.9	10.9	114.3	D530 C531	D530-R533 WeakPolarHBondContact O-CB 3.39Å; D530-R533 VanDerWaalsContact O-CG 3.32Å; D530-R533 WeakPolarHBondContact O-CG 3.12Å; D530-R533 PolarHBondContact O-N 2.9Å; D530-R533 IonicContact OD1-CZ 2.72Å; D530-R533 IonicContact OD1-NE 3.14Å; D530-R533 IonicContact OD1-NH2 2.64Å; D530-R533 PolarHBondContact OD1-NH2 2.76Å; C531-R533 PolarHBondContact O-N 2.81Å; C531-R533 VanDerWaalsContact O-N 3.14Å
534	S	92.6	Very high	96.5	Very high	37 Å²	37	36.5 Å²	36.5	26%	0.259	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-97	12.5	171.6	65.3	0	0	0	0	113.6	R477 Q512 C531 V532 P536	R477-S534 WeakPolarHBondContact CD-O 3.4Å; R477-S534 PolarHBondContact NE-O 3.5Å; R477-S534 VanDerWaalsContact NE-O 3.08Å; Q512-S534 PolarHBondContact OE1-OG 2.79Å; C531-S534 PolarHBondContact O-N 3.2Å; C531-S534 VanDerWaalsContact O-N 3.15Å; C531-S534 PolarHBondContact O-OG 2.64Å; C531-S534 VanDerWaalsContact O-OG 3.06Å; V532-S534 PolarHBondContact O-N 2.83Å; V532-S534 VanDerWaalsContact O-N 3.15Å; S534-P536 VanDerWaalsContact C-CD 3.5Å
535	D	95.5	Very high	96.3	Very high	106 Å²	106	40.4 Å²	40.4	57%	0.567	20%	0.195	S	C	*	.			trans	44.2	53.6	-178.5	-72.5	-32.1	0	0	0	114.3	R477 V532 K537	R477-D535 VanDerWaalsContact CZ-O 3.22Å; R477-D535 PolarHBondContact NE-O 3.31Å; R477-D535 PolarHBondContact NH2-O 3.29Å; V532-D535 PolarHBondContact O-N 3.1Å; D535-K537 PolarHBondContact O-N 3.07Å
536	P	97.1	Very high	96	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.039	23%	0.227	C	C	.	.			trans	-64.7	132.7	-177.9	27.9	-36.1	0	0	0	111.7	A479 C531 S534 L538 I539 V564	A479-P536 HydrophobicContact CB-CB 4.48Å; C531-P536 WeakPolarHBondContact O-CD 3.48Å; S534-P536 VanDerWaalsContact C-CD 3.5Å; P536-L538 PolarHBondContact O-N 3.03Å; P536-I539 HydrophobicContact CB-CG1 4.18Å; P536-I539 HydrophobicContact CG-CD1 3.9Å; P536-I539 HydrophobicContact CG-CG1 3.71Å; P536-V564 HydrophobicContact CG-CG1 4.34Å
537	K	97.5	Very high	95.8	Very high	66 Å²	66	42 Å²	42	29%	0.287	21%	0.214	S	C	.	.	S	Bend	trans	-62.4	-24.2	174.2	-63.8	-175.1	-177.2	165.9	0	111.8	D473 L475 D476 R477 D535 L594	D473-K537 IonicContact OD2-NZ 3.64Å; D473-K537 PolarHBondContact OD2-NZ 3.15Å; L475-K537 HydrophobicContact CD1-CB 4.11Å; D476-K537 WeakPolarHBondContact OD1-CD 3.44Å; D476-K537 WeakPolarHBondContact OD1-CE 3.4Å; D476-K537 IonicContact OD1-NZ 3.61Å; D476-K537 PolarHBondContact OD1-NZ 3.09Å; D476-K537 IonicContact OD2-NZ 2.74Å; D476-K537 PolarHBondContact OD2-NZ 3.01Å; R477-K537 WeakPolarHBondContact O-CB 3.02Å; R477-K537 PolarHBondContact O-N 2.88Å; D535-K537 PolarHBondContact O-N 3.07Å; K537-L594 HydrophobicContact CB-CD2 3.9Å
538	L	98.5	Very high	95.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.			trans	-157.6	150.5	174.3	-172.2	135.7	0	0	0	111.7	L475 W478 A479 P536 L540 P565 Q567 L590 K593 L594	L475-L538 HydrophobicContact CD1-CB 4.2Å; W478-L538 WeakPolarHBondContact CA-O 3.38Å; W478-L538 WeakPolarHBondContact CB-O 3.41Å; W478-L538 HydrophobicContact CE3-CD2 4.23Å; A479-L538 PolarHBondContact N-O 3.03Å; A479-L538 VanDerWaalsContact N-O 3.12Å; P536-L538 PolarHBondContact O-N 3.03Å; L538-L540 HydrophobicContact CD2-CB 4.41Å; L538-P565 WeakPolarHBondContact CA-O 3.49Å; L538-P565 HydrophobicContact CD1-CB 4.31Å; L538-Q567 HydrophobicContact CD2-CB 4.27Å; L538-L590 HydrophobicContact CD1-CB 4.48Å; L538-L590 HydrophobicContact CD1-CD2 3.71Å; L538-L590 HydrophobicContact CD2-CD2 3.83Å; L538-L590 HydrophobicContact CG-CD2 4.45Å; L538-K593 HydrophobicContact CD1-CB 3.89Å; L538-K593 HydrophobicContact CD1-CD 4.31Å; L538-L594 HydrophobicContact CB-CD2 4.4Å
539	I	98.6	Very high	95.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.3	169.4	-58.7	171.3	0	0	0	110.2	A479 I481 C531 V532 P536 V564 P565 T566 Q567	A479-I539 HydrophobicContact CB-CG1 4.5Å; A479-I539 CarbonylContact O-C 3.54Å; A479-I539 WeakPolarHBondContact O-CA 3.28Å; I481-I539 HydrophobicContact CD1-CG2 3.76Å; I481-I539 HydrophobicContact CG1-CG2 4.1Å; C531-I539 HydrophobicContact CB-CD1 4.42Å; V532-I539 HydrophobicContact CG2-CD1 4.06Å; P536-I539 HydrophobicContact CB-CG1 4.18Å; P536-I539 HydrophobicContact CG-CD1 3.9Å; P536-I539 HydrophobicContact CG-CG1 3.71Å; I539-V564 HydrophobicContact CD1-CG1 3.89Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; I539-P565 PolarHBondContact N-O 2.9Å; I539-T566 HydrophobicContact CB-CG2 4.37Å; I539-T566 CarbonylContact O-C 3.59Å; I539-T566 VanDerWaalsContact O-CA 3.23Å; I539-T566 WeakPolarHBondContact O-CA 3.36Å; I539-Q567 PolarHBondContact O-N 2.97Å
540	L	98.8	Very high	95.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.8	174.9	-174.9	155.4	0	0	0	111.1	W478 A479 V480 I481 L493 L538 Q567 V569	W478-L540 HydrophobicContact CZ3-CB 4.02Å; W478-L540 HydrophobicContact CZ3-CD1 4.28Å; A479-L540 PolarHBondContact O-N 2.93Å; V480-L540 CarbonylContact C-O 3.57Å; V480-L540 VanDerWaalsContact CA-O 3.29Å; V480-L540 WeakPolarHBondContact CA-O 3.05Å; V480-L540 HydrophobicContact CG2-CB 4.29Å; I481-L540 PolarHBondContact N-O 3.24Å; L493-L540 HydrophobicContact CD2-CD2 4.37Å; L538-L540 HydrophobicContact CD2-CB 4.41Å; L540-Q567 WeakPolarHBondContact CA-O 3.22Å; L540-Q567 HydrophobicContact CB-CB 4.18Å; L540-Q567 HydrophobicContact CD1-CB 4.22Å; L540-Q567 HydrophobicContact CD1-CG 4.04Å; L540-Q567 HydrophobicContact CG-CB 4.01Å; L540-Q567 HydrophobicContact CG-CG 4.15Å; L540-V569 HydrophobicContact CD1-CG2 4.32Å; L540-V569 HydrophobicContact CD2-CG2 4.37Å; L540-V569 HydrophobicContact CG-CG2 4.41Å
541	C	98.6	Very high	95.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	118.9	176.2	-55.2	0	0	0	0	111	I481 Y524 V543 I554 Q567 V568 V569	I481-C541 WeakPolarHBondContact O-CA 3.5Å; Y524-C541 HydrophobicContact CD1-CB 4.24Å; Y524-C541 HydrophobicContact CE1-CB 4.3Å; C541-V543 HydrophobicContact CB-CG1 4.45Å; C541-I554 HydrophobicContact CB-CD1 4.09Å; C541-Q567 PolarHBondContact N-O 3.16Å; C541-V568 WeakPolarHBondContact O-CA 3.27Å; C541-V569 PolarHBondContact O-N 3.19Å
542	L	98.4	Very high	95.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	106.9	171.5	177.6	62.4	0	0	0	109.3	I481 A482 P483 N486 L490 L493 Y524 V569 T574	I481-L542 PolarHBondContact O-N 2.94Å; A482-L542 HydrophobicContact CB-CB 4.02Å; A482-L542 HydrophobicContact CB-CD2 4.34Å; P483-L542 WeakPolarHBondContact CD-O 3.36Å; N486-L542 HydrophobicContact CB-CD2 4.35Å; L490-L542 HydrophobicContact CB-CD2 3.8Å; L490-L542 HydrophobicContact CD1-CD2 4.31Å; L493-L542 HydrophobicContact CD2-CD1 4.41Å; Y524-L542 PolarHBondContact OH-O 3Å; Y524-L542 VanDerWaalsContact OH-O 3.05Å; L542-V569 WeakPolarHBondContact CA-O 3.33Å; L542-V569 HydrophobicContact CD1-CB 4.4Å; L542-V569 HydrophobicContact CD1-CG1 4.43Å; L542-T574 HydrophobicContact CD1-CG2 3.84Å
543	V	97.7	Very high	95.8	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.2	-176	-60.4	0	0	0	0	112.1	Y524 C541 N545 I554 V568 V569 T570 L571	Y524-V543 HydrophobicContact CE1-CG1 4.05Å; C541-V543 HydrophobicContact CB-CG1 4.45Å; V543-N545 PolarHBondContact O-N 3.39Å; V543-I554 HydrophobicContact CG1-CD1 4.1Å; V543-V568 HydrophobicContact CB-CG1 4.47Å; V543-V568 HydrophobicContact CG1-CG1 3.99Å; V543-V568 HydrophobicContact CG2-CG1 3.62Å; V543-V569 PolarHBondContact N-O 3.21Å; V543-T570 HydrophobicContact CG2-CG2 4.11Å; V543-T570 CarbonylContact O-C 3.52Å; V543-T570 WeakPolarHBondContact O-CA 3.42Å; V543-L571 PolarHBondContact O-N 2.94Å
544	P	95.3	Very high	96.1	Very high	25 Å²	25	40.3 Å²	40.3	16%	0.162	22%	0.222	C	C	.	.	S	Bend	trans	-71.4	-32.2	-172.8	25.1	-33	0	0	0	113.9	D519 Y524	D519-P544 HydrophobicContact CB-CG 3.88Å; D519-P544 WeakPolarHBondContact OD2-CG 3.3Å; Y524-P544 WeakPolarHBondContact OH-CD 3.13Å
545	N	93.4	Very high	96.4	Very high	83 Å²	83	38.7 Å²	38.7	44%	0.444	21%	0.21	S	C	.	.	S	Bend	trans	-145.5	166.8	-176.9	60.4	-1.5	0	0	0	111.9	V543 N547 R550	V543-N545 PolarHBondContact O-N 3.39Å; N545-N547 PolarHBondContact O-N 2.83Å; N545-R550 PolarHBondContact OD1-NH1 2.92Å
546	D	91.6	Very high	96.5	Very high	149 Å²	149	36.8 Å²	36.8	80%	0.797	20%	0.197	S	C	*	.			trans	-78.5	64.8	179.4	-161.4	3.6	0	0	0	111
547	N	93.4	Very high	96.5	Very high	53 Å²	53	40.7 Å²	40.7	28%	0.283	21%	0.211	S	C	.	.			trans	-91.5	111.3	177.9	179.6	-32.8	0	0	0	109.9	N545 E549 R550 Y551	N545-N547 PolarHBondContact O-N 2.83Å; N547-E549 PolarHBondContact O-N 2.93Å; N547-E549 WeakPolarHBondContact OD1-CA 3.1Å; N547-E549 WeakPolarHBondContact OD1-CB 3.45Å; N547-E549 PolarHBondContact OD1-N 2.73Å; N547-R550 HydrophobicContact CB-CB 4.19Å; N547-R550 PolarHBondContact O-N 2.88Å; N547-R550 PolarHBondContact OD1-N 3.5Å; N547-Y551 WeakPolarHBondContact O-CB 3.26Å; N547-Y551 PolarHBondContact O-N 2.84Å
548	A	90.3	Very high	96.5	Very high	63 Å²	63	37.6 Å²	37.6	52%	0.521	20%	0.198	S	C	.	.	H	α-helix	trans	-65.5	-31.1	-178.5	0	0	0	0	0	114.2	S552	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.36Å; A548-S552 PolarHBondContact O-N 3.41Å; A548-S552 PolarHBondContact O-OG 2.91Å
549	E	92.6	Very high	96.5	Very high	119 Å²	119	37.7 Å²	37.7	56%	0.556	20%	0.198	S	C	*	.	H	α-helix	trans	-69.8	-48.9	177.3	-177.3	-136.2	112.3	0	0	110.7	T521 N547 Y551 S552 S553	T521-E549 WeakPolarHBondContact CB-OE1 3.39Å; T521-E549 PolarHBondContact OG1-OE1 3.02Å; N547-E549 PolarHBondContact O-N 2.93Å; N547-E549 WeakPolarHBondContact OD1-CA 3.1Å; N547-E549 WeakPolarHBondContact OD1-CB 3.45Å; N547-E549 PolarHBondContact OD1-N 2.73Å; E549-Y551 PolarHBondContact O-N 2.9Å; E549-S552 PolarHBondContact O-N 3.37Å; E549-S553 WeakPolarHBondContact O-CB 3.33Å; E549-S553 PolarHBondContact O-N 2.85Å; E549-S553 PolarHBondContact O-OG 2.9Å
550	R	97	Very high	96.4	Very high	12 Å²	12	38.6 Å²	38.6	5%	0.045	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-46.3	175.3	-168.6	-164.2	-68.9	117.6	-6	110.9	D519 Y524 N545 N547 S553 I554	D519-R550 VanDerWaalsContact O-CZ 3.23Å; D519-R550 PolarHBondContact O-NE 3.13Å; D519-R550 PolarHBondContact O-NH2 2.93Å; D519-R550 IonicContact OD2-NH2 2.69Å; D519-R550 PolarHBondContact OD2-NH2 3.06Å; Y524-R550 HydrophobicContact CD2-CG 4.21Å; Y524-R550 HydrophobicContact CE2-CG 4.47Å; N545-R550 PolarHBondContact OD1-NH1 2.92Å; N547-R550 HydrophobicContact CB-CB 4.19Å; N547-R550 PolarHBondContact O-N 2.88Å; N547-R550 PolarHBondContact OD1-N 3.5Å; R550-S553 PolarHBondContact O-N 2.9Å; R550-I554 HydrophobicContact CG-CD1 4.04Å; R550-I554 WeakPolarHBondContact O-CG1 3.46Å; R550-I554 PolarHBondContact O-N 3.03Å
551	Y	97.9	Very high	96.3	Very high	60 Å²	60	41 Å²	41	24%	0.235	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-49.5	175.7	175.7	-91.8	0	0	0	111.8	N547 E549 S553 I554 K555 V568 L823 N827	N547-Y551 WeakPolarHBondContact O-CB 3.26Å; N547-Y551 PolarHBondContact O-N 2.84Å; E549-Y551 PolarHBondContact O-N 2.9Å; Y551-S553 VanDerWaalsContact C-N 3.31Å; Y551-S553 PolarHBondContact O-N 3.5Å; Y551-I554 PolarHBondContact O-N 3.14Å; Y551-K555 HydrophobicContact CD1-CG 4.13Å; Y551-K555 HydrophobicContact CD2-CG 4.43Å; Y551-K555 HydrophobicContact CE1-CG 3.72Å; Y551-K555 HydrophobicContact CE2-CD 4.47Å; Y551-K555 HydrophobicContact CE2-CG 4.06Å; Y551-K555 HydrophobicContact CG-CG 4.46Å; Y551-K555 WeakPolarHBondContact O-CB 3.36Å; Y551-K555 WeakPolarHBondContact O-CG 3.35Å; Y551-K555 PolarHBondContact O-N 3.07Å; Y551-V568 HydrophobicContact CD2-CB 4.28Å; Y551-V568 HydrophobicContact CD2-CG1 4.25Å; Y551-V568 HydrophobicContact CD2-CG2 4.1Å; Y551-V568 HydrophobicContact CE2-CB 4.34Å; Y551-V568 HydrophobicContact CE2-CG2 4.19Å; Y551-L823 HydrophobicContact CE1-CD1 4.2Å; Y551-N827 HydrophobicContact CE1-CB 4.34Å
552	S	97.1	Very high	96.1	Very high	22 Å²	22	46 Å²	46	15%	0.154	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-40	-178.6	-58.8	0	0	0	0	111.9	A548 E549 K555 K556 N827	A548-S552 VanDerWaalsContact O-CB 3.24Å; A548-S552 WeakPolarHBondContact O-CB 3.36Å; A548-S552 PolarHBondContact O-N 3.41Å; A548-S552 PolarHBondContact O-OG 2.91Å; E549-S552 PolarHBondContact O-N 3.37Å; S552-K555 PolarHBondContact O-N 3.08Å; S552-K556 WeakPolarHBondContact O-CB 3.44Å; S552-K556 PolarHBondContact O-N 3.02Å; S552-N827 WeakPolarHBondContact CB-O 3.43Å; S552-N827 PolarHBondContact OG-ND2 3.25Å
553	S	98	Very high	96	Very high	35 Å²	35	47.8 Å²	47.8	25%	0.245	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-43.9	178.9	-56.4	0	0	0	0	112.5	T521 E549 R550 Y551 K555 K556 R557	T521-S553 VanDerWaalsContact CG2-OG 3.31Å; T521-S553 WeakPolarHBondContact CG2-OG 3.37Å; E549-S553 WeakPolarHBondContact O-CB 3.33Å; E549-S553 PolarHBondContact O-N 2.85Å; E549-S553 PolarHBondContact O-OG 2.9Å; R550-S553 PolarHBondContact O-N 2.9Å; Y551-S553 VanDerWaalsContact C-N 3.31Å; Y551-S553 PolarHBondContact O-N 3.5Å; S553-K555 VanDerWaalsContact C-N 3.32Å; S553-K555 PolarHBondContact O-N 3.07Å; S553-K556 PolarHBondContact O-N 2.94Å; S553-R557 WeakPolarHBondContact O-CB 3.37Å; S553-R557 WeakPolarHBondContact O-CG 3.39Å; S553-R557 PolarHBondContact O-N 3.35Å
554	I	98.3	Very high	96.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-44.8	171.6	-72.5	167.4	0	0	0	110.5	Y524 M528 C541 V543 R550 Y551 G558 V568	Y524-I554 HydrophobicContact CD1-CD1 3.91Å; Y524-I554 HydrophobicContact CG-CD1 4.03Å; M528-I554 WeakPolarHBondContact CE-O 3.48Å; M528-I554 HydrophobicContact SD-CB 4.21Å; M528-I554 HydrophobicContact SD-CG1 4.21Å; M528-I554 HydrophobicContact SD-CG2 3.87Å; C541-I554 HydrophobicContact CB-CD1 4.09Å; V543-I554 HydrophobicContact CG1-CD1 4.1Å; R550-I554 HydrophobicContact CG-CD1 4.04Å; R550-I554 WeakPolarHBondContact O-CG1 3.46Å; R550-I554 PolarHBondContact O-N 3.03Å; Y551-I554 PolarHBondContact O-N 3.14Å; I554-G558 PolarHBondContact O-N 2.93Å; I554-V568 HydrophobicContact CG2-CG2 4.09Å
555	K	98.3	Very high	96.2	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-38.8	179.6	-69	-51.5	-171.1	-177.6	0	113.1	Y551 S552 S553 Y559 T566 L823 L828	Y551-K555 HydrophobicContact CD1-CG 4.13Å; Y551-K555 HydrophobicContact CD2-CG 4.43Å; Y551-K555 HydrophobicContact CE1-CG 3.72Å; Y551-K555 HydrophobicContact CE2-CD 4.47Å; Y551-K555 HydrophobicContact CE2-CG 4.06Å; Y551-K555 HydrophobicContact CG-CG 4.46Å; Y551-K555 WeakPolarHBondContact O-CB 3.36Å; Y551-K555 WeakPolarHBondContact O-CG 3.35Å; Y551-K555 PolarHBondContact O-N 3.07Å; S552-K555 PolarHBondContact O-N 3.08Å; S553-K555 VanDerWaalsContact C-N 3.32Å; S553-K555 PolarHBondContact O-N 3.07Å; K555-Y559 HydrophobicContact CD-CD2 4.41Å; K555-Y559 HydrophobicContact CD-CE2 3.76Å; K555-Y559 PolarHBondContact NZ-OH 2.97Å; K555-Y559 WeakPolarHBondContact O-CB 3.47Å; K555-Y559 PolarHBondContact O-N 2.73Å; K555-T566 WeakPolarHBondContact CD-OG1 3.5Å; K555-T566 PolarHBondContact NZ-O 2.81Å; K555-T566 PolarHBondContact NZ-OG1 3.33Å; K555-L823 HydrophobicContact CG-CD1 4.37Å; K555-L828 HydrophobicContact CB-CD2 3.72Å; K555-L828 WeakPolarHBondContact O-CD2 3.37Å
556	K	97.4	Very high	96.4	Very high	66 Å²	66	43.1 Å²	43.1	29%	0.287	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-48.9	176.1	-171.1	175	174.8	163.8	0	111.5	S552 S553 G558 Y559 V560 D561 L828	S552-K556 WeakPolarHBondContact O-CB 3.44Å; S552-K556 PolarHBondContact O-N 3.02Å; S553-K556 PolarHBondContact O-N 2.94Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 2.81Å; K556-Y559 PolarHBondContact O-N 2.96Å; K556-V560 HydrophobicContact CG-CB 3.97Å; K556-V560 HydrophobicContact CG-CG2 4.14Å; K556-V560 WeakPolarHBondContact O-CB 3.36Å; K556-V560 PolarHBondContact O-N 3.19Å; K556-D561 PolarHBondContact O-N 3.01Å; K556-D561 VanDerWaalsContact O-N 3.15Å; K556-L828 HydrophobicContact CB-CD2 4.4Å
557	R	97.9	Very high	96.8	Very high	88 Å²	88	36.4 Å²	36.4	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-43	176.8	-73.9	-74.2	-176	-83.8	-0.3	112.3	V525 M528 D529 S553 D561 R562	V525-R557 HydrophobicContact CG1-CG 3.91Å; V525-R557 HydrophobicContact CG2-CG 4.06Å; M528-R557 HydrophobicContact CE-CB 4.2Å; M528-R557 HydrophobicContact SD-CB 4.48Å; D529-R557 IonicContact OD2-NE 2.75Å; S553-R557 WeakPolarHBondContact O-CB 3.37Å; S553-R557 WeakPolarHBondContact O-CG 3.39Å; S553-R557 PolarHBondContact O-N 3.35Å; R557-D561 VanDerWaalsContact CA-OD2 3.3Å; R557-D561 WeakPolarHBondContact CA-OD2 3.31Å; R557-D561 WeakPolarHBondContact CD-OD2 3.4Å; R557-D561 IonicContact CZ-OD2 3.4Å; R557-D561 PolarHBondContact N-OD2 3.08Å; R557-D561 IonicContact NE-OD2 2.67Å; R557-D561 IonicContact NH1-OD1 3.74Å; R557-D561 IonicContact NH1-OD2 3.45Å; R557-D561 PolarHBondContact NH1-OD2 2.9Å; R557-R562 VanDerWaalsContact O-CB 3.23Å; R557-R562 WeakPolarHBondContact O-CB 3.46Å; R557-R562 WeakPolarHBondContact O-CG 3.5Å; R557-R562 PolarHBondContact O-N 2.65Å; R557-R562 VanDerWaalsContact O-N 3.13Å
558	G	97.4	Very high	97	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-67.3	-36.9	178.8	0	0	0	0	0	115	I554 K556 R562 V564	I554-G558 PolarHBondContact O-N 2.93Å; K556-G558 VanDerWaalsContact C-N 3.34Å; K556-G558 PolarHBondContact O-N 2.81Å; G558-R562 CarbonylContact C-O 3.57Å; G558-R562 CarbonylContact O-C 3.58Å; G558-V564 PolarHBondContact O-N 2.97Å; G558-V564 VanDerWaalsContact O-O 3.13Å
559	Y	98.1	Very high	97.4	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-117.3	-19	-164.8	-56.9	-16.1	0	0	0	116.2	K555 K556 R562 V564 T566 L823 L828 P832 Q833 L836 Y841	K555-Y559 HydrophobicContact CD-CD2 4.41Å; K555-Y559 HydrophobicContact CD-CE2 3.76Å; K555-Y559 PolarHBondContact NZ-OH 2.97Å; K555-Y559 WeakPolarHBondContact O-CB 3.47Å; K555-Y559 PolarHBondContact O-N 2.73Å; K556-Y559 PolarHBondContact O-N 2.96Å; Y559-R562 CarbonylContact C-O 3.6Å; Y559-R562 WeakPolarHBondContact CA-O 3.12Å; Y559-V564 WeakPolarHBondContact CD1-O 3.14Å; Y559-V564 WeakPolarHBondContact CE1-O 3.27Å; Y559-T566 HydrophobicContact CE1-CG2 4.28Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.33Å; Y559-T566 PolarHBondContact OH-N 2.87Å; Y559-T566 PolarHBondContact OH-O 3.09Å; Y559-T566 PolarHBondContact OH-OG1 2.89Å; Y559-L823 HydrophobicContact CD2-CD2 4.19Å; Y559-L823 HydrophobicContact CE2-CD2 3.99Å; Y559-L828 HydrophobicContact CD2-CD1 4.4Å; Y559-L828 HydrophobicContact CD2-CD2 4.47Å; Y559-P832 CarbonylContact O-C 3.43Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.42Å; Y559-Q833 PolarHBondContact O-N 2.83Å; Y559-L836 HydrophobicContact CD1-CD1 3.95Å; Y559-L836 HydrophobicContact CG-CD1 4.21Å; Y559-Y841 HydrophobicContact CD1-CD2 4.4Å; Y559-Y841 AromaticContact CD2-CD2 3.72Å; Y559-Y841 HydrophobicContact CD2-CD2 3.72Å; Y559-Y841 HydrophobicContact CD2-CE2 4.29Å; Y559-Y841 AromaticContact CE2-CD2 3.83Å; Y559-Y841 HydrophobicContact CE2-CD2 3.83Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.21Å; Y559-Y841 HydrophobicContact CG-CD2 4.01Å; Y559-Y841 VanDerWaalsContact CZ-O 3.23Å; Y559-Y841 PolarHBondContact OH-O 2.84Å
560	V	97.3	Very high	97.6	Very high	20 Å²	20	28.8 Å²	28.8	12%	0.121	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-51.3	-178.8	180	0	0	0	0	109.6	K556 R562 L828 Q833	K556-V560 HydrophobicContact CG-CB 3.97Å; K556-V560 HydrophobicContact CG-CG2 4.14Å; K556-V560 WeakPolarHBondContact O-CB 3.36Å; K556-V560 PolarHBondContact O-N 3.19Å; V560-R562 VanDerWaalsContact C-N 3.33Å; V560-R562 PolarHBondContact N-O 3.42Å; V560-L828 HydrophobicContact CG2-CB 4.14Å; V560-L828 HydrophobicContact CG2-CD1 4.35Å; V560-L828 HydrophobicContact CG2-CD2 4.33Å; V560-Q833 WeakPolarHBondContact O-CG 2.88Å; V560-Q833 PolarHBondContact O-NE2 2.66Å
561	D	95.8	Very high	97.6	Very high	49 Å²	49	29.3 Å²	29.3	26%	0.262	15%	0.149	S	C	.	.	S	Bend	trans	-81.6	-18.6	-179.1	-42.8	-55	0	0	0	111.8	K556 R557	K556-D561 PolarHBondContact O-N 3.01Å; K556-D561 VanDerWaalsContact O-N 3.15Å; R557-D561 VanDerWaalsContact CA-OD2 3.3Å; R557-D561 WeakPolarHBondContact CA-OD2 3.31Å; R557-D561 WeakPolarHBondContact CD-OD2 3.4Å; R557-D561 IonicContact CZ-OD2 3.4Å; R557-D561 PolarHBondContact N-OD2 3.08Å; R557-D561 IonicContact NE-OD2 2.67Å; R557-D561 IonicContact NH1-OD1 3.74Å; R557-D561 IonicContact NH1-OD2 3.45Å; R557-D561 PolarHBondContact NH1-OD2 2.9Å
562	R	95	Very high	97.4	Very high	106 Å²	106	35.1 Å²	35.1	40%	0.4	18%	0.175	S	C	.	.	S	Bend	trans	-141	177.8	175	-47.6	-68.4	169.9	-124.6	8.1	109.4	D529 V532 R557 G558 Y559 V560 Q833	D529-R562 IonicContact OD1-CZ 2.68Å; D529-R562 VanDerWaalsContact OD1-CZ 3.23Å; D529-R562 IonicContact OD1-NE 3.78Å; D529-R562 PolarHBondContact OD1-NE 3.13Å; D529-R562 IonicContact OD1-NH2 2.64Å; D529-R562 PolarHBondContact OD1-NH2 2.96Å; V532-R562 HydrophobicContact CG2-CG 4.35Å; R557-R562 VanDerWaalsContact O-CB 3.23Å; R557-R562 WeakPolarHBondContact O-CB 3.46Å; R557-R562 WeakPolarHBondContact O-CG 3.5Å; R557-R562 PolarHBondContact O-N 2.65Å; R557-R562 VanDerWaalsContact O-N 3.13Å; G558-R562 CarbonylContact C-O 3.57Å; G558-R562 CarbonylContact O-C 3.58Å; Y559-R562 CarbonylContact C-O 3.6Å; Y559-R562 WeakPolarHBondContact CA-O 3.12Å; V560-R562 VanDerWaalsContact C-N 3.33Å; V560-R562 PolarHBondContact N-O 3.42Å; R562-Q833 WeakPolarHBondContact O-CG 3.29Å
563	A	97.2	Very high	97.3	Very high	38 Å²	38	35.5 Å²	35.5	31%	0.314	18%	0.176	S	C	.	.			trans	-122.5	42.2	179.9	0	0	0	0	0	113.3	Q833 A835 L836	A563-Q833 HydrophobicContact CB-CB 3.88Å; A563-Q833 HydrophobicContact CB-CG 4.33Å; A563-A835 HydrophobicContact CB-CB 4Å; A563-L836 HydrophobicContact CB-CG 4.33Å; A563-L836 WeakPolarHBondContact O-CD2 3.5Å
564	V	97.9	Very high	97	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.097	17%	0.168	C	C	.	.			trans	-110.2	122.3	-173.5	177.3	0	0	0	0	111.3	V532 P536 I539 G558 Y559 T566	V532-V564 HydrophobicContact CG1-CG2 4.47Å; V532-V564 HydrophobicContact CG2-CG2 4.1Å; P536-V564 HydrophobicContact CG-CG1 4.34Å; I539-V564 HydrophobicContact CD1-CG1 3.89Å; I539-V564 HydrophobicContact CG1-CG1 3.88Å; G558-V564 PolarHBondContact O-N 2.97Å; G558-V564 VanDerWaalsContact O-O 3.13Å; Y559-V564 WeakPolarHBondContact CD1-O 3.14Å; Y559-V564 WeakPolarHBondContact CE1-O 3.27Å; V564-T566 PolarHBondContact O-N 3.31Å
565	P	98.3	Very high	96.7	Very high	3 Å²	3	41 Å²	41	2%	0.019	20%	0.197	C	C	.	.			trans	-58.3	135.7	174	-23.6	33.9	0	0	0	112.3	L538 I539 K593 L836 K839	L538-P565 WeakPolarHBondContact CA-O 3.49Å; L538-P565 HydrophobicContact CD1-CB 4.31Å; I539-P565 PolarHBondContact N-O 2.9Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3.42Å; P565-L836 HydrophobicContact CG-CD2 4.1Å; P565-K839 HydrophobicContact CG-CD 4.07Å
566	T	98.6	Very high	96.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.6	-178.7	58.2	0	0	0	0	112.9	M528 I539 K555 Y559 V564 K593	M528-T566 HydrophobicContact CE-CG2 3.85Å; I539-T566 HydrophobicContact CB-CG2 4.37Å; I539-T566 CarbonylContact O-C 3.59Å; I539-T566 VanDerWaalsContact O-CA 3.23Å; I539-T566 WeakPolarHBondContact O-CA 3.36Å; K555-T566 WeakPolarHBondContact CD-OG1 3.5Å; K555-T566 PolarHBondContact NZ-O 2.81Å; K555-T566 PolarHBondContact NZ-OG1 3.33Å; Y559-T566 HydrophobicContact CE1-CG2 4.28Å; Y559-T566 WeakPolarHBondContact CE1-OG1 3.33Å; Y559-T566 PolarHBondContact OH-N 2.87Å; Y559-T566 PolarHBondContact OH-O 3.09Å; Y559-T566 PolarHBondContact OH-OG1 2.89Å; V564-T566 PolarHBondContact O-N 3.31Å; T566-K593 PolarHBondContact O-NZ 3Å
567	Q	98.6	Very high	96.2	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.033	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144	165.1	-172.1	62	14.9	0	0	109.5	L538 I539 L540 C541 V569 I586 Q589 L590	L538-Q567 HydrophobicContact CD2-CB 4.27Å; I539-Q567 PolarHBondContact O-N 2.97Å; L540-Q567 WeakPolarHBondContact CA-O 3.22Å; L540-Q567 HydrophobicContact CB-CB 4.18Å; L540-Q567 HydrophobicContact CD1-CB 4.22Å; L540-Q567 HydrophobicContact CD1-CG 4.04Å; L540-Q567 HydrophobicContact CG-CB 4.01Å; L540-Q567 HydrophobicContact CG-CG 4.15Å; C541-Q567 PolarHBondContact N-O 3.16Å; Q567-V569 HydrophobicContact CG-CG2 4.12Å; Q567-I586 HydrophobicContact CG-CG2 4.23Å; Q567-Q589 VanDerWaalsContact OE1-CD 3.28Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.93Å
568	V	98.6	Very high	96	Very high	28 Å²	28	52.7 Å²	52.7	17%	0.17	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.2	170.3	-178.6	0	0	0	0	107.3	C541 V543 Y551 I554	C541-V568 WeakPolarHBondContact O-CA 3.27Å; V543-V568 HydrophobicContact CB-CG1 4.47Å; V543-V568 HydrophobicContact CG1-CG1 3.99Å; V543-V568 HydrophobicContact CG2-CG1 3.62Å; Y551-V568 HydrophobicContact CD2-CB 4.28Å; Y551-V568 HydrophobicContact CD2-CG1 4.25Å; Y551-V568 HydrophobicContact CD2-CG2 4.1Å; Y551-V568 HydrophobicContact CE2-CB 4.34Å; Y551-V568 HydrophobicContact CE2-CG2 4.19Å; I554-V568 HydrophobicContact CG2-CG2 4.09Å
569	V	98.3	Very high	95.8	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.03	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132	176.8	-175.7	0	0	0	0	108.1	L493 L540 C541 L542 V543 Q567 T573 T574 I586	L493-V569 HydrophobicContact CD1-CG1 4.34Å; L493-V569 HydrophobicContact CD2-CB 4.13Å; L493-V569 HydrophobicContact CD2-CG1 3.94Å; L493-V569 HydrophobicContact CD2-CG2 4.21Å; L540-V569 HydrophobicContact CD1-CG2 4.32Å; L540-V569 HydrophobicContact CD2-CG2 4.37Å; L540-V569 HydrophobicContact CG-CG2 4.41Å; C541-V569 PolarHBondContact O-N 3.19Å; L542-V569 WeakPolarHBondContact CA-O 3.33Å; L542-V569 HydrophobicContact CD1-CB 4.4Å; L542-V569 HydrophobicContact CD1-CG1 4.43Å; V543-V569 PolarHBondContact N-O 3.21Å; Q567-V569 HydrophobicContact CG-CG2 4.12Å; V569-T573 HydrophobicContact CG1-CG2 4.1Å; V569-T574 HydrophobicContact CG1-CG2 4.48Å; V569-I586 HydrophobicContact CG1-CD1 4.47Å; V569-I586 HydrophobicContact CG2-CD1 4.04Å
570	T	97.3	Very high	95.6	Very high	42 Å²	42	57.3 Å²	57.3	26%	0.258	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.6	176	57.8	0	0	0	0	110.7	V543 K572 T573	V543-T570 HydrophobicContact CG2-CG2 4.11Å; V543-T570 CarbonylContact O-C 3.52Å; V543-T570 WeakPolarHBondContact O-CA 3.42Å; T570-K572 PolarHBondContact O-N 3.37Å; T570-K572 VanDerWaalsContact O-N 3.13Å; T570-T573 WeakPolarHBondContact O-CA 3.2Å; T570-T573 WeakPolarHBondContact O-CB 3Å; T570-T573 PolarHBondContact O-N 3.25Å; T570-T573 PolarHBondContact O-OG1 2.91Å; T570-T573 PolarHBondContact OG1-OG1 3Å
571	L	96	Very high	95.4	Very high	24 Å²	24	58.4 Å²	58.4	13%	0.126	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-26.4	179.4	-173.4	67.8	0	0	0	113.5	N486 E489 V543 T573 T574	N486-L571 HydrophobicContact CB-CD1 4.19Å; N486-L571 WeakPolarHBondContact ND2-CD2 3.46Å; E489-L571 HydrophobicContact CB-CD1 3.65Å; E489-L571 HydrophobicContact CG-CD1 3.72Å; V543-L571 PolarHBondContact O-N 2.94Å; L571-T573 PolarHBondContact O-N 3.04Å; L571-T574 PolarHBondContact O-N 3.04Å; L571-T574 PolarHBondContact O-OG1 3.14Å
572	K	95	Very high	95.3	Very high	182 Å²	182	58.1 Å²	58.1	79%	0.791	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-23.8	170.8	-173.5	172.2	-179.4	175.7	0	113	T570	T570-K572 PolarHBondContact O-N 3.37Å; T570-K572 VanDerWaalsContact O-N 3.13Å
573	T	94.8	Very high	95.4	Very high	30 Å²	30	53 Å²	53	18%	0.184	27%	0.265	C	S	.	.	H	α-helix	trans	-75.9	-39.7	179.8	-55.1	0	0	0	0	111.9	V569 T570 L571 K575 N576 I582	V569-T573 HydrophobicContact CG1-CG2 4.1Å; T570-T573 WeakPolarHBondContact O-CA 3.2Å; T570-T573 WeakPolarHBondContact O-CB 3Å; T570-T573 PolarHBondContact O-N 3.25Å; T570-T573 PolarHBondContact O-OG1 2.91Å; T570-T573 PolarHBondContact OG1-OG1 3Å; L571-T573 PolarHBondContact O-N 3.04Å; T573-K575 VanDerWaalsContact C-N 3.3Å; T573-K575 PolarHBondContact O-N 3.47Å; T573-N576 WeakPolarHBondContact O-CB 3.31Å; T573-N576 PolarHBondContact O-N 2.68Å; T573-I582 HydrophobicContact CG2-CB 4.49Å; T573-I582 HydrophobicContact CG2-CD1 4.13Å; T573-I582 HydrophobicContact CG2-CG2 3.66Å
574	T	92.1	Very high	95.3	Very high	10 Å²	10	52.8 Å²	52.8	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-68.9	-29.7	-179.2	63.7	0	0	0	0	112.1	E489 L493 L542 V569 L571 N576	E489-T574 WeakPolarHBondContact CB-OG1 3.18Å; L493-T574 HydrophobicContact CB-CG2 3.85Å; L493-T574 HydrophobicContact CD1-CG2 4.3Å; L493-T574 HydrophobicContact CD2-CG2 3.99Å; L493-T574 HydrophobicContact CG-CG2 4.26Å; L542-T574 HydrophobicContact CD1-CG2 3.84Å; V569-T574 HydrophobicContact CG1-CG2 4.48Å; L571-T574 PolarHBondContact O-N 3.04Å; L571-T574 PolarHBondContact O-OG1 3.14Å; T574-N576 VanDerWaalsContact C-N 3.25Å; T574-N576 PolarHBondContact O-N 2.77Å
575	K	91	Very high	95.2	Very high	142 Å²	142	55.6 Å²	55.6	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	15.5	176.4	-54.4	-168	-178.6	-165.6	0	114	E489 T573	E489-K575 VanDerWaalsContact CG-CE 3.49Å; E489-K575 HydrophobicContact CG-CG 4.45Å; E489-K575 WeakPolarHBondContact OE1-CE 3.43Å; E489-K575 IonicContact OE1-NZ 3.62Å; E489-K575 PolarHBondContact OE1-NZ 2.89Å; T573-K575 VanDerWaalsContact C-N 3.3Å; T573-K575 PolarHBondContact O-N 3.47Å
576	N	93.6	Very high	95.1	Very high	72 Å²	72	55.9 Å²	55.9	39%	0.385	27%	0.272	S	S	.	.			trans	-90.2	129.8	-177.3	-167.9	-45.4	0	0	0	111.5	T573 T574 S578 L579 I582	T573-N576 WeakPolarHBondContact O-CB 3.31Å; T573-N576 PolarHBondContact O-N 2.68Å; T574-N576 VanDerWaalsContact C-N 3.25Å; T574-N576 PolarHBondContact O-N 2.77Å; N576-S578 PolarHBondContact O-N 2.94Å; N576-S578 PolarHBondContact OD1-N 3.37Å; N576-L579 WeakPolarHBondContact O-CB 3.25Å; N576-L579 PolarHBondContact O-N 2.81Å; N576-I582 HydrophobicContact CB-CD1 3.93Å
577	R	91.6	Very high	95.1	Very high	261 Å²	261	55.9 Å²	55.9	99%	0.985	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-28.1	177.5	-66.3	-175.1	179.9	-176.2	-1.1	113.7
578	S	93.1	Very high	95	Very high	70 Å²	70	56 Å²	56	49%	0.49	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	23.6	179.9	-55.4	0	0	0	0	113.7	N576 M580 S581 I582	N576-S578 PolarHBondContact O-N 2.94Å; N576-S578 PolarHBondContact OD1-N 3.37Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 3.4Å; S578-M580 VanDerWaalsContact O-N 3.15Å; S578-S581 WeakPolarHBondContact O-CB 3.48Å; S578-S581 PolarHBondContact O-N 2.91Å; S578-S581 PolarHBondContact O-OG 3.33Å; S578-I582 PolarHBondContact O-N 2.8Å
579	L	94.1	Very high	95	Very high	14 Å²	14	56 Å²	56	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-47.3	-46.5	-171.1	-179.5	58.5	0	0	0	113.9	T492 L493 S496 N576 S581 I582 A583	T492-L579 HydrophobicContact CG2-CD2 3.93Å; L493-L579 HydrophobicContact CD1-CD1 4.16Å; S496-L579 VanDerWaalsContact OG-CD2 3.25Å; S496-L579 WeakPolarHBondContact OG-CD2 3.28Å; N576-L579 WeakPolarHBondContact O-CB 3.25Å; N576-L579 PolarHBondContact O-N 2.81Å; L579-S581 VanDerWaalsContact C-N 3.28Å; L579-S581 PolarHBondContact O-N 2.93Å; L579-I582 CarbonylContact O-C 3.52Å; L579-I582 WeakPolarHBondContact O-CA 3.4Å; L579-I582 WeakPolarHBondContact O-CB 3.27Å; L579-I582 PolarHBondContact O-N 3.48Å; L579-A583 PolarHBondContact O-N 2.95Å
580	M	93.3	Very high	95	Very high	84 Å²	84	55.7 Å²	55.7	41%	0.414	27%	0.269	S	S	.	.	H	α-helix	trans	-52.8	-42.6	177.9	-77	-58.2	-57.3	0	0	113.1	R499 A500 S578 I582 A583 T584	R499-M580 HydrophobicContact CB-CE 3.86Å; R499-M580 HydrophobicContact CB-SD 4.44Å; A500-M580 HydrophobicContact CB-CE 4.02Å; S578-M580 VanDerWaalsContact C-N 3.32Å; S578-M580 PolarHBondContact O-N 3.4Å; S578-M580 VanDerWaalsContact O-N 3.15Å; M580-I582 PolarHBondContact O-N 3.49Å; M580-A583 PolarHBondContact O-N 2.72Å; M580-T584 PolarHBondContact O-N 3.35Å; M580-T584 PolarHBondContact O-OG1 2.85Å
581	S	92.6	Very high	95.1	Very high	44 Å²	44	53.7 Å²	53.7	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-69.8	-20.8	179	74	0	0	0	0	113.7	S578 L579	S578-S581 WeakPolarHBondContact O-CB 3.48Å; S578-S581 PolarHBondContact O-N 2.91Å; S578-S581 PolarHBondContact O-OG 3.33Å; L579-S581 VanDerWaalsContact C-N 3.28Å; L579-S581 PolarHBondContact O-N 2.93Å
582	I	95.1	Very high	95.2	Very high	42 Å²	42	52.6 Å²	52.6	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-87.3	-40	175.1	-51.5	173.4	0	0	0	109.2	T573 N576 S578 L579 M580 T584 K585 I586	T573-I582 HydrophobicContact CG2-CB 4.49Å; T573-I582 HydrophobicContact CG2-CD1 4.13Å; T573-I582 HydrophobicContact CG2-CG2 3.66Å; N576-I582 HydrophobicContact CB-CD1 3.93Å; S578-I582 PolarHBondContact O-N 2.8Å; L579-I582 CarbonylContact O-C 3.52Å; L579-I582 WeakPolarHBondContact O-CA 3.4Å; L579-I582 WeakPolarHBondContact O-CB 3.27Å; L579-I582 PolarHBondContact O-N 3.48Å; M580-I582 PolarHBondContact O-N 3.49Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 2.7Å; I582-K585 CarbonylContact O-C 3.09Å; I582-K585 WeakPolarHBondContact O-CA 3.48Å; I582-K585 PolarHBondContact O-N 3.15Å; I582-I586 HydrophobicContact CG2-CD1 4.12Å; I582-I586 HydrophobicContact CG2-CG1 4.45Å; I582-I586 WeakPolarHBondContact O-CG1 3.32Å; I582-I586 PolarHBondContact O-N 3.23Å
583	A	95.8	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-38.8	173.3	0	0	0	0	0	111.9	S496 A500 L579 M580 K585 I586 A587	S496-A583 WeakPolarHBondContact O-CB 3.18Å; A500-A583 HydrophobicContact CB-CB 4.01Å; L579-A583 PolarHBondContact O-N 2.95Å; M580-A583 PolarHBondContact O-N 2.72Å; A583-K585 PolarHBondContact O-N 3.08Å; A583-I586 PolarHBondContact O-N 3.41Å; A583-A587 WeakPolarHBondContact O-CB 3.34Å; A583-A587 PolarHBondContact O-N 3.31Å
584	T	95.2	Very high	95.5	Very high	33 Å²	33	43.4 Å²	43.4	20%	0.202	21%	0.209	C	C	.	.	H	α-helix	trans	-55.2	-48.9	168.8	-49	0	0	0	0	111.5	F462 M504 M580 I582 I586 A587 I588	F462-T584 HydrophobicContact CB-CG2 4.23Å; M504-T584 HydrophobicContact CE-CG2 3.97Å; M504-T584 WeakPolarHBondContact CE-O 3.4Å; M504-T584 HydrophobicContact SD-CG2 3.55Å; M504-T584 VanDerWaalsContact SD-CG2 3.55Å; M580-T584 PolarHBondContact O-N 3.35Å; M580-T584 PolarHBondContact O-OG1 2.85Å; I582-T584 VanDerWaalsContact C-N 3.3Å; I582-T584 PolarHBondContact O-N 2.7Å; T584-I586 PolarHBondContact O-N 2.83Å; T584-A587 PolarHBondContact O-N 2.91Å; T584-I588 HydrophobicContact CG2-CD1 4.3Å; T584-I588 WeakPolarHBondContact O-CG1 3.18Å; T584-I588 PolarHBondContact O-N 3.33Å
585	K	96.1	Very high	95.6	Very high	75 Å²	75	43.7 Å²	43.7	33%	0.326	21%	0.214	S	C	.	.	H	α-helix	trans	-68.3	-35.3	-180	-66.2	-175.2	-178.4	-168.1	0	112.7	I582 A583 Q589	I582-K585 CarbonylContact O-C 3.09Å; I582-K585 WeakPolarHBondContact O-CA 3.48Å; I582-K585 PolarHBondContact O-N 3.15Å; A583-K585 PolarHBondContact O-N 3.08Å; K585-Q589 WeakPolarHBondContact O-CB 3.39Å; K585-Q589 PolarHBondContact O-N 2.92Å
586	I	97.7	Very high	95.9	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.046	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-49.2	172.2	-66.6	166.9	0	0	0	109.6	L493 L497 Q567 V569 I582 A583 T584 I588 Q589 L590	L493-I586 HydrophobicContact CD1-CD1 4.23Å; L497-I586 HydrophobicContact CD1-CB 4.18Å; L497-I586 HydrophobicContact CD1-CG2 3.78Å; Q567-I586 HydrophobicContact CG-CG2 4.23Å; V569-I586 HydrophobicContact CG1-CD1 4.47Å; V569-I586 HydrophobicContact CG2-CD1 4.04Å; I582-I586 HydrophobicContact CG2-CD1 4.12Å; I582-I586 HydrophobicContact CG2-CG1 4.45Å; I582-I586 WeakPolarHBondContact O-CG1 3.32Å; I582-I586 PolarHBondContact O-N 3.23Å; A583-I586 PolarHBondContact O-N 3.41Å; T584-I586 PolarHBondContact O-N 2.83Å; I586-I588 PolarHBondContact O-N 3.21Å; I586-Q589 CarbonylContact O-C 3.55Å; I586-Q589 WeakPolarHBondContact O-CA 3.4Å; I586-Q589 WeakPolarHBondContact O-CB 3.34Å; I586-Q589 PolarHBondContact O-N 3Å; I586-L590 HydrophobicContact CG2-CD2 4.34Å; I586-L590 HydrophobicContact CG2-CG 4.21Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 3.26Å
587	A	97.3	Very high	96.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-39	178.8	0	0	0	0	0	113.2	L497 A501 M504 A583 T584 L590 N591	L497-A587 HydrophobicContact CD1-CB 3.94Å; A501-A587 HydrophobicContact CB-CB 3.79Å; M504-A587 HydrophobicContact CE-CB 3.47Å; M504-A587 VanDerWaalsContact CE-CB 3.47Å; A583-A587 WeakPolarHBondContact O-CB 3.34Å; A583-A587 PolarHBondContact O-N 3.31Å; T584-A587 PolarHBondContact O-N 2.91Å; A587-L590 PolarHBondContact O-N 2.98Å; A587-N591 PolarHBondContact O-N 3.38Å
588	I	97.6	Very high	96.4	Very high	9 Å²	9	25 Å²	25	5%	0.046	14%	0.135	C	C	.	.	H	α-helix	trans	-57.5	-47.7	169.1	-70	168.2	0	0	0	110.5	F462 M467 M504 T584 I586 L590 N591 C592 P598 W599 Y802	F462-I588 HydrophobicContact CD1-CD1 3.69Å; F462-I588 HydrophobicContact CD1-CG1 4.42Å; F462-I588 HydrophobicContact CE1-CD1 3.79Å; F462-I588 HydrophobicContact CE1-CG1 4.49Å; F462-I588 HydrophobicContact CG-CD1 4.14Å; F462-I588 HydrophobicContact CZ-CD1 4.32Å; M467-I588 HydrophobicContact SD-CB 4.5Å; M467-I588 HydrophobicContact SD-CG1 4.03Å; M504-I588 HydrophobicContact CE-CG1 3.9Å; M504-I588 HydrophobicContact SD-CD1 3.98Å; M504-I588 HydrophobicContact SD-CG1 3.65Å; T584-I588 HydrophobicContact CG2-CD1 4.3Å; T584-I588 WeakPolarHBondContact O-CG1 3.18Å; T584-I588 PolarHBondContact O-N 3.33Å; I586-I588 PolarHBondContact O-N 3.21Å; I588-L590 VanDerWaalsContact C-N 3.35Å; I588-L590 PolarHBondContact O-N 3.46Å; I588-N591 PolarHBondContact O-N 3.06Å; I588-C592 PolarHBondContact O-N 3.39Å; I588-C592 VanDerWaalsContact O-N 3.11Å; I588-C592 PolarHBondContact O-SG 3.49Å; I588-P598 HydrophobicContact CG2-CB 3.99Å; I588-P598 HydrophobicContact CG2-CG 3.75Å; I588-W599 HydrophobicContact CG2-CZ3 4.2Å; I588-Y802 WeakPolarHBondContact CG2-O 3.21Å
589	Q	98.3	Very high	96.6	Very high	27 Å²	27	21.8 Å²	21.8	13%	0.126	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-34.2	177.7	-170.3	-178.5	15	0	0	112.7	Q567 K585 I586 K593 L843	Q567-Q589 VanDerWaalsContact OE1-CD 3.28Å; K585-Q589 WeakPolarHBondContact O-CB 3.39Å; K585-Q589 PolarHBondContact O-N 2.92Å; I586-Q589 CarbonylContact O-C 3.55Å; I586-Q589 WeakPolarHBondContact O-CA 3.4Å; I586-Q589 WeakPolarHBondContact O-CB 3.34Å; I586-Q589 PolarHBondContact O-N 3Å; Q589-K593 HydrophobicContact CG-CD 4.39Å; Q589-K593 WeakPolarHBondContact O-CB 3.36Å; Q589-K593 VanDerWaalsContact O-CG 3.26Å; Q589-K593 WeakPolarHBondContact O-CG 3.47Å; Q589-K593 PolarHBondContact O-N 3.49Å; Q589-K593 VanDerWaalsContact O-N 3.08Å; Q589-L843 HydrophobicContact CG-CB 4.24Å; Q589-L843 PolarHBondContact NE2-O 3.16Å; Q589-L843 PolarHBondContact NE2-OXT 3.35Å
590	L	98.4	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66	-46.8	173.3	-60.2	-168.4	0	0	0	110.9	L475 L497 I508 L538 Q567 I586 A587 I588 C592 K593 L594	L475-L590 HydrophobicContact CD2-CD1 4.11Å; L497-L590 HydrophobicContact CD1-CD1 4.22Å; L497-L590 HydrophobicContact CD2-CD1 4Å; I508-L590 HydrophobicContact CD1-CD1 4.27Å; L538-L590 HydrophobicContact CD1-CB 4.48Å; L538-L590 HydrophobicContact CD1-CD2 3.71Å; L538-L590 HydrophobicContact CD2-CD2 3.83Å; L538-L590 HydrophobicContact CG-CD2 4.45Å; Q567-L590 HydrophobicContact CB-CD2 3.78Å; Q567-L590 HydrophobicContact CG-CD2 3.93Å; I586-L590 HydrophobicContact CG2-CD2 4.34Å; I586-L590 HydrophobicContact CG2-CG 4.21Å; I586-L590 WeakPolarHBondContact O-CG 3.46Å; I586-L590 PolarHBondContact O-N 3.26Å; A587-L590 PolarHBondContact O-N 2.98Å; I588-L590 VanDerWaalsContact C-N 3.35Å; I588-L590 PolarHBondContact O-N 3.46Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 2.99Å; L590-K593 WeakPolarHBondContact O-CB 3.43Å; L590-K593 PolarHBondContact O-N 2.68Å; L590-L594 WeakPolarHBondContact O-CG 3.36Å; L590-L594 PolarHBondContact O-N 3.4Å
591	N	98.1	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.7	-45.8	177.8	-160.7	47.7	0	0	0	111.4	M467 T469 P471 L506 A587 I588 K593 L594 G595 Y596	M467-N591 HydrophobicContact CE-CB 3.76Å; M467-N591 HydrophobicContact SD-CB 3.84Å; T469-N591 PolarHBondContact O-ND2 2.82Å; P471-N591 WeakPolarHBondContact CD-OD1 3.49Å; L506-N591 HydrophobicContact CD2-CB 4.31Å; A587-N591 PolarHBondContact O-N 3.38Å; I588-N591 PolarHBondContact O-N 3.06Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 2.88Å; N591-L594 PolarHBondContact O-N 3.4Å; N591-G595 PolarHBondContact O-N 3Å; N591-Y596 PolarHBondContact O-N 3.02Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.46Å
592	C	98.3	Very high	96.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-58.3	-42.8	173.9	-61.6	0	0	0	0	112.4	I588 L590 L594 G595 Y596 P598 Y802 F840 L843	I588-C592 PolarHBondContact O-N 3.39Å; I588-C592 VanDerWaalsContact O-N 3.11Å; I588-C592 PolarHBondContact O-SG 3.49Å; L590-C592 VanDerWaalsContact C-N 3.31Å; L590-C592 PolarHBondContact O-N 2.99Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 3.27Å; C592-G595 PolarHBondContact O-N 3.31Å; C592-Y596 WeakPolarHBondContact CA-O 3.1Å; C592-P598 WeakPolarHBondContact SG-CG 3.36Å; C592-Y802 WeakPolarHBondContact SG-CB 3.45Å; C592-F840 HydrophobicContact CB-CB 3.77Å; C592-F840 HydrophobicContact CB-CD2 3.84Å; C592-F840 HydrophobicContact CB-CG 4.11Å; C592-F840 WeakPolarHBondContact O-CB 3.27Å; C592-F840 WeakPolarHBondContact O-CD2 3.44Å; C592-F840 PolarHBondContact O-N 3.39Å; C592-F840 VanDerWaalsContact O-N 3.14Å; C592-L843 HydrophobicContact CB-CD1 3.94Å
593	K	98.4	Very high	96.7	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-68.7	-25.3	-178.9	-80.2	175.7	178.7	178.9	0	113.9	L538 P565 T566 Q589 L590 N591 G595 F840 L843	L538-K593 HydrophobicContact CD1-CB 3.89Å; L538-K593 HydrophobicContact CD1-CD 4.31Å; P565-K593 HydrophobicContact CB-CB 4.07Å; P565-K593 WeakPolarHBondContact CG-O 3.42Å; T566-K593 PolarHBondContact O-NZ 3Å; Q589-K593 HydrophobicContact CG-CD 4.39Å; Q589-K593 WeakPolarHBondContact O-CB 3.36Å; Q589-K593 VanDerWaalsContact O-CG 3.26Å; Q589-K593 WeakPolarHBondContact O-CG 3.47Å; Q589-K593 PolarHBondContact O-N 3.49Å; Q589-K593 VanDerWaalsContact O-N 3.08Å; L590-K593 WeakPolarHBondContact O-CB 3.43Å; L590-K593 PolarHBondContact O-N 2.68Å; N591-K593 VanDerWaalsContact C-N 3.33Å; N591-K593 PolarHBondContact O-N 2.88Å; K593-G595 VanDerWaalsContact C-N 3.3Å; K593-F840 WeakPolarHBondContact CG-O 3.45Å; K593-L843 WeakPolarHBondContact CE-OXT 3.38Å; K593-L843 PolarHBondContact NZ-OXT 2.86Å
594	L	97.2	Very high	96.4	Very high	19 Å²	19	23 Å²	23	10%	0.099	12%	0.121	C	C	.	.	H	α-helix	trans	-77.5	-18.4	172.1	-63	168.9	0	0	0	112.3	P471 L475 K537 L538 L590 N591 C592 Y596	P471-L594 HydrophobicContact CG-CD1 4.19Å; L475-L594 HydrophobicContact CB-CD1 4.38Å; L475-L594 HydrophobicContact CD1-CD1 4.01Å; L475-L594 HydrophobicContact CD1-CD2 3.89Å; K537-L594 HydrophobicContact CB-CD2 3.9Å; L538-L594 HydrophobicContact CB-CD2 4.4Å; L590-L594 WeakPolarHBondContact O-CG 3.36Å; L590-L594 PolarHBondContact O-N 3.4Å; N591-L594 PolarHBondContact O-N 3.4Å; C592-L594 VanDerWaalsContact C-N 3.29Å; C592-L594 PolarHBondContact O-N 3.27Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.17Å
595	G	96	Very high	96.2	Very high	15 Å²	15	22.8 Å²	22.8	16%	0.155	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.7	5.3	179.5	0	0	0	0	0	114.8	N591 C592 K593	N591-G595 PolarHBondContact O-N 3Å; C592-G595 PolarHBondContact O-N 3.31Å; K593-G595 VanDerWaalsContact C-N 3.3Å
596	Y	97.1	Very high	95.9	Very high	82 Å²	82	22.3 Å²	22.3	32%	0.322	12%	0.124	S	C	.	.			trans	-103	167.1	-169.7	-66.4	-95.1	0	0	0	113.1	T470 P471 N591 C592 L594	T470-Y596 VanDerWaalsContact C-CD1 3.41Å; P471-Y596 HydrophobicContact CB-CD2 4.37Å; P471-Y596 HydrophobicContact CB-CE1 4.23Å; P471-Y596 HydrophobicContact CB-CE2 3.73Å; P471-Y596 HydrophobicContact CG-CD2 4.31Å; P471-Y596 HydrophobicContact CG-CE2 4.13Å; N591-Y596 PolarHBondContact O-N 3.02Å; N591-Y596 WeakPolarHBondContact OD1-CB 3.46Å; C592-Y596 WeakPolarHBondContact CA-O 3.1Å; L594-Y596 HydrophobicContact CB-CD2 3.8Å; L594-Y596 HydrophobicContact CB-CE2 4.17Å
597	T	97.5	Very high	95.8	Very high	2 Å²	2	22 Å²	22	1%	0.012	12%	0.124	C	C	.	.			trans	-111.8	115.5	-166.4	-46.6	0	0	0	0	111.2	L468 T469 W599 S639 Y802	L468-T597 WeakPolarHBondContact CB-O 3.44Å; L468-T597 HydrophobicContact CD2-CG2 4.01Å; L468-T597 PolarHBondContact N-O 3.34Å; T469-T597 PolarHBondContact N-O 2.92Å; T469-T597 WeakPolarHBondContact OG1-CB 3.32Å; T469-T597 PolarHBondContact OG1-N 2.95Å; T469-T597 PolarHBondContact OG1-OG1 2.9Å; T597-W599 VanDerWaalsContact CG2-O 3.28Å; T597-W599 WeakPolarHBondContact CG2-O 3.39Å; T597-S639 WeakPolarHBondContact CG2-OG 3.35Å; T597-S639 PolarHBondContact OG1-O 2.7Å; T597-Y802 HydrophobicContact CG2-CE1 4.34Å; T597-Y802 HydrophobicContact CG2-CE2 4.01Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.45Å
598	P	96.9	Very high	95.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-68.1	-40.5	176.9	-28.1	39.8	0	0	0	115.1	M467 L468 I588 C592 Y802	M467-P598 VanDerWaalsContact CA-O 3.27Å; M467-P598 WeakPolarHBondContact CA-O 3.03Å; M467-P598 HydrophobicContact CG-CB 3.96Å; M467-P598 HydrophobicContact SD-CB 3.79Å; M467-P598 HydrophobicContact SD-CG 4.02Å; L468-P598 PolarHBondContact N-O 3.21Å; I588-P598 HydrophobicContact CG2-CB 3.99Å; I588-P598 HydrophobicContact CG2-CG 3.75Å; C592-P598 WeakPolarHBondContact SG-CG 3.36Å; P598-Y802 HydrophobicContact CG-CG 4.16Å
599	W	97.3	Very high	95.8	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	12%	0.122	C	C	.	.			trans	-157	169.7	179.5	69	84.2	0	0	0	111.2	I443 V444 F445 W458 F462 I588 T597 H799 Y802 W804	I443-W599 HydrophobicContact CG2-CB 3.69Å; I443-W599 HydrophobicContact CG2-CG 3.78Å; V444-W599 CarbonylContact O-C 3.58Å; V444-W599 WeakPolarHBondContact O-CA 3.21Å; F445-W599 HydrophobicContact CD1-CB 4.42Å; F445-W599 HydrophobicContact CE1-CB 4.07Å; F445-W599 HydrophobicContact CZ-CB 4.21Å; W458-W599 AromaticContact CE2-CE2 3.93Å; W458-W599 AromaticContact CE2-NE1 3.94Å; W458-W599 AromaticContact CZ2-CE2 3.73Å; W458-W599 AromaticContact CZ2-CZ2 3.78Å; W458-W599 HydrophobicContact CZ2-CZ2 3.78Å; W458-W599 AromaticContact CZ2-NE1 3.51Å; W458-W599 AromaticContact NE1-CD2 3.73Å; W458-W599 AromaticContact NE1-CE2 3.5Å; W458-W599 AromaticContact NE1-CZ2 3.76Å; W458-W599 AromaticContact NE1-NE1 3.8Å; F462-W599 AromaticContact CE1-CE3 3.56Å; F462-W599 HydrophobicContact CE1-CE3 3.56Å; F462-W599 AromaticContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE1-CZ3 3.86Å; F462-W599 HydrophobicContact CE2-CZ3 4.46Å; F462-W599 HydrophobicContact CZ-CD2 4.09Å; F462-W599 AromaticContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CE3 3.3Å; F462-W599 HydrophobicContact CZ-CH2 4.29Å; F462-W599 AromaticContact CZ-CZ3 3.43Å; F462-W599 HydrophobicContact CZ-CZ3 3.43Å; F462-W599 VanDerWaalsContact CZ-CZ3 3.43Å; I588-W599 HydrophobicContact CG2-CZ3 4.2Å; T597-W599 VanDerWaalsContact CG2-O 3.28Å; T597-W599 WeakPolarHBondContact CG2-O 3.39Å; W599-H799 PolarHBondContact NE1-O 2.79Å; W599-Y802 AromaticContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CE1 4.24Å; W599-Y802 AromaticContact CE2-CD1 3.69Å; W599-Y802 HydrophobicContact CE3-CD1 4.1Å; W599-Y802 HydrophobicContact CG-CD1 4.43Å; W599-Y802 HydrophobicContact CG-CE1 4.37Å; W599-Y802 VanDerWaalsContact CH2-CA 3.48Å; W599-Y802 HydrophobicContact CH2-CD1 4.2Å; W599-Y802 AromaticContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ3-CD1 4.27Å; W599-Y802 WeakPolarHBondContact O-CE1 3.46Å; W599-Y802 PolarHBondContact O-OH 3.35Å; W599-W804 WeakPolarHBondContact CH2-O 3.4Å; W599-W804 VanDerWaalsContact CZ2-O 3.32Å; W599-W804 WeakPolarHBondContact CZ2-O 3.5Å
600	M	97	Very high	95.8	Very high	16 Å²	16	20.4 Å²	20.4	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	176.7	179.2	-175.7	54	129.6	0	0	112.8	I443 V444 L468 L635 S639 L800	I443-M600 WeakPolarHBondContact CA-O 2.99Å; V444-M600 HydrophobicContact CB-CB 4.26Å; V444-M600 PolarHBondContact N-O 2.83Å; V444-M600 PolarHBondContact O-N 2.67Å; L468-M600 HydrophobicContact CD2-CB 3.51Å; L468-M600 HydrophobicContact CD2-CG 4.4Å; M600-L635 HydrophobicContact CE-CB 3.46Å; M600-L635 VanDerWaalsContact CE-CB 3.46Å; M600-L635 HydrophobicContact CE-CD2 3.84Å; M600-L635 HydrophobicContact CE-CG 4.13Å; M600-L635 WeakPolarHBondContact CE-O 3.41Å; M600-S639 WeakPolarHBondContact CE-OG 3.38Å; M600-L800 HydrophobicContact SD-CD1 4.34Å; M600-L800 HydrophobicContact SD-CD2 3.77Å
601	I	95.7	Very high	95.9	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.4	175.5	-159.8	64.3	0	0	0	109.7	Q441 N442 I443 L603 K796 H799 L800	Q441-I601 HydrophobicContact CB-CD1 3.6Å; N442-I601 VanDerWaalsContact O-CD1 3.32Å; N442-I601 WeakPolarHBondContact O-CD1 3.2Å; I443-I601 HydrophobicContact CD1-CD1 4.2Å; I601-L603 PolarHBondContact O-N 2.74Å; I601-K796 HydrophobicContact CG1-CB 3.98Å; I601-K796 HydrophobicContact CG1-CD 4.49Å; I601-K796 HydrophobicContact CG1-CG 3.91Å; I601-K796 HydrophobicContact CG2-CB 4.3Å; I601-H799 HydrophobicContact CD1-CB 4.1Å; I601-L800 HydrophobicContact CB-CD2 3.96Å; I601-L800 HydrophobicContact CB-CG 4.43Å; I601-L800 HydrophobicContact CG2-CD1 3.85Å; I601-L800 HydrophobicContact CG2-CD2 3.93Å; I601-L800 HydrophobicContact CG2-CG 4.05Å
602	E	91.8	Very high	95.8	Very high	66 Å²	66	20.4 Å²	20.4	31%	0.308	12%	0.116	S	C	.	.			trans	-63.5	117.4	172.8	-64.8	174.4	138.3	0	0	110.3	N442 V444 K449 K796	N442-E602 HydrophobicContact CB-CG 4.32Å; N442-E602 WeakPolarHBondContact CB-OE2 3.37Å; N442-E602 PolarHBondContact ND2-OE2 2.82Å; V444-E602 HydrophobicContact CG2-CG 3.99Å; K449-E602 WeakPolarHBondContact CD-OE1 3.12Å; K449-E602 WeakPolarHBondContact CE-OE1 3.34Å; K449-E602 IonicContact NZ-OE1 3.86Å; K449-E602 PolarHBondContact NZ-OE1 2.76Å; E602-K796 WeakPolarHBondContact O-CD 3.18Å; E602-K796 WeakPolarHBondContact O-CE 3.49Å; E602-K796 PolarHBondContact O-NZ 3.28Å
603	L	92.9	Very high	95.7	Very high	18 Å²	18	20.6 Å²	20.6	9%	0.094	12%	0.117	C	C	.	.			trans	-126.8	98.9	-172.7	-177.3	66.3	0	0	0	111.4	I601 L605 L608 L635 L793	I601-L603 PolarHBondContact O-N 2.74Å; L603-L605 PolarHBondContact O-N 2.8Å; L603-L608 HydrophobicContact CD1-CD2 4.35Å; L603-L608 HydrophobicContact CD2-CD2 4.36Å; L603-L635 HydrophobicContact CD2-CB 3.61Å; L603-L635 HydrophobicContact CD2-CD1 4.19Å; L603-L635 HydrophobicContact CD2-CG 4.49Å; L603-L793 HydrophobicContact CD1-CD1 3.58Å
604	P	89.9	Confident	95.4	Very high	106 Å²	106	20.9 Å²	20.9	69%	0.688	12%	0.118	S	C	*	.			trans	-84.9	51.4	-177.3	36.1	-37	0	0	0	112.2
605	L	90.4	Very high	95.1	Very high	29 Å²	29	21.6 Å²	21.6	15%	0.152	12%	0.122	C	C	.	.			trans	-145.9	95.7	179.2	-74.4	177.7	0	0	0	111	L603 L608 L785 L793	L603-L605 PolarHBondContact O-N 2.8Å; L605-L608 HydrophobicContact CB-CB 4.39Å; L605-L608 HydrophobicContact CB-CD2 4Å; L605-L608 HydrophobicContact CD1-CD2 3.96Å; L605-L608 WeakPolarHBondContact O-CB 3.28Å; L605-L785 HydrophobicContact CD1-CD1 4.13Å; L605-L793 HydrophobicContact CD1-CD1 4.25Å; L605-L793 HydrophobicContact CD1-CD2 3.86Å
606	S	90.9	Very high	94.8	Very high	64 Å²	64	21.6 Å²	21.6	45%	0.448	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	151.6	175.8	-29.7	0	0	0	0	112.1	L608 Q636 R679	S606-L608 VanDerWaalsContact C-N 3.28Å; S606-L608 PolarHBondContact O-N 3.36Å; S606-Q636 VanDerWaalsContact CA-OE1 3.23Å; S606-Q636 VanDerWaalsContact N-OE1 3.15Å; S606-Q636 PolarHBondContact OG-OE1 2.93Å; S606-R679 PolarHBondContact O-NH1 3.29Å
607	G	94.7	Very high	94.3	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	22.2	175.2	0	0	0	0	0	113.7	D634 Y669 P677 S678 R679	G607-D634 VanDerWaalsContact CA-OD2 3.28Å; G607-D634 WeakPolarHBondContact CA-OD2 3.39Å; G607-D634 PolarHBondContact N-OD2 3.47Å; G607-Y669 WeakPolarHBondContact CA-OH 3.4Å; G607-P677 CarbonylContact O-C 3.51Å; G607-P677 WeakPolarHBondContact O-CB 3.37Å; G607-S678 PolarHBondContact O-N 2.91Å; G607-S678 VanDerWaalsContact O-N 3.07Å; G607-R679 PolarHBondContact O-N 3.32Å
608	L	97.1	Very high	93.9	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.8	-173.1	178.1	59.1	0	0	0	112.7	L603 L605 S606 R679 V681 L793	L603-L608 HydrophobicContact CD1-CD2 4.35Å; L603-L608 HydrophobicContact CD2-CD2 4.36Å; L605-L608 HydrophobicContact CB-CB 4.39Å; L605-L608 HydrophobicContact CB-CD2 4Å; L605-L608 HydrophobicContact CD1-CD2 3.96Å; L605-L608 WeakPolarHBondContact O-CB 3.28Å; S606-L608 VanDerWaalsContact C-N 3.28Å; S606-L608 PolarHBondContact O-N 3.36Å; L608-R679 HydrophobicContact CD1-CB 3.91Å; L608-V681 HydrophobicContact CD1-CB 4.39Å; L608-V681 HydrophobicContact CD1-CG2 3.87Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.25Å
609	M	98.5	Very high	93.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	110.3	167.1	-176	-171.3	-165.8	0	0	109.3	I611 A631 A665 L666 Y669 P677 R679 I680 V681	M609-I611 HydrophobicContact CE-CD1 3.86Å; M609-I611 HydrophobicContact CE-CG1 4.18Å; M609-I611 HydrophobicContact CG-CD1 4.29Å; M609-I611 HydrophobicContact CG-CG1 3.97Å; M609-I611 HydrophobicContact SD-CD1 3.89Å; M609-I611 HydrophobicContact SD-CG1 4.23Å; M609-A631 HydrophobicContact CE-CB 3.59Å; M609-A631 HydrophobicContact CG-CB 4.41Å; M609-A665 HydrophobicContact CE-CB 3.36Å; M609-L666 HydrophobicContact CE-CD2 4.36Å; M609-L666 HydrophobicContact SD-CD2 3.79Å; M609-Y669 HydrophobicContact CB-CD2 4.19Å; M609-Y669 HydrophobicContact CB-CE2 4.06Å; M609-Y669 HydrophobicContact CG-CD2 4.3Å; M609-P677 HydrophobicContact CB-CB 3.68Å; M609-P677 HydrophobicContact CB-CG 3.81Å; M609-P677 HydrophobicContact CG-CG 4.41Å; M609-P677 HydrophobicContact SD-CG 3.75Å; M609-R679 PolarHBondContact N-O 3.4Å; M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 WeakPolarHBondContact O-CA 3.19Å; M609-I680 HydrophobicContact SD-CD1 4.5Å; M609-I680 HydrophobicContact SD-CG1 4.48Å; M609-V681 PolarHBondContact O-N 2.8Å
610	T	98.5	Very high	92.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.8	172.7	-51.4	0	0	0	0	109.3	A631 S632 V681 Y683 M797 V813	T610-A631 CarbonylContact O-C 3.59Å; T610-A631 WeakPolarHBondContact O-CA 3.37Å; T610-S632 PolarHBondContact N-OG 3.25Å; T610-S632 PolarHBondContact O-N 2.65Å; T610-V681 CarbonylContact C-O 3.51Å; T610-V681 WeakPolarHBondContact CA-O 3.43Å; T610-V681 HydrophobicContact CG2-CB 4.44Å; T610-Y683 HydrophobicContact CG2-CD2 3.77Å; T610-Y683 HydrophobicContact CG2-CE2 3.63Å; T610-M797 HydrophobicContact CG2-CE 3.85Å; T610-M797 HydrophobicContact CG2-CG 4.3Å; T610-M797 HydrophobicContact CG2-SD 4.39Å; T610-V813 HydrophobicContact CG2-CG1 4.45Å; T610-V813 HydrophobicContact CG2-CG2 4.07Å
611	I	98.7	Very high	91.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.1	-175.8	-54.2	-179.8	0	0	0	109.5	M609 L629 I630 A631 I680 V681 F682 Y683	M609-I611 HydrophobicContact CE-CD1 3.86Å; M609-I611 HydrophobicContact CE-CG1 4.18Å; M609-I611 HydrophobicContact CG-CD1 4.29Å; M609-I611 HydrophobicContact CG-CG1 3.97Å; M609-I611 HydrophobicContact SD-CD1 3.89Å; M609-I611 HydrophobicContact SD-CG1 4.23Å; I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 4.05Å; I611-L629 HydrophobicContact CG2-CG 3.75Å; I611-I630 CarbonylContact C-O 3.51Å; I611-I630 VanDerWaalsContact CA-O 3.28Å; I611-I630 WeakPolarHBondContact CA-O 3.21Å; I611-A631 HydrophobicContact CG1-CB 4.12Å; I611-I680 HydrophobicContact CD1-CG2 3.72Å; I611-I680 HydrophobicContact CG1-CG2 4.23Å; I611-V681 PolarHBondContact N-O 3.32Å; I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.31Å; I611-F682 HydrophobicContact CB-CG 4.38Å; I611-F682 HydrophobicContact CD1-CD2 4.15Å; I611-F682 HydrophobicContact CG2-CD2 3.56Å; I611-F682 HydrophobicContact CG2-CE2 3.58Å; I611-F682 HydrophobicContact CG2-CG 4.46Å; I611-F682 HydrophobicContact CG2-CZ 4.49Å; I611-Y683 PolarHBondContact O-N 3.39Å
612	G	97.9	Very high	90.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.4	172.1	0	0	0	0	0	111.2	L629 I630 Y683	G612-L629 WeakPolarHBondContact O-CA 3.43Å; G612-I630 PolarHBondContact N-O 3.22Å; G612-I630 PolarHBondContact O-N 2.71Å; G612-Y683 WeakPolarHBondContact CA-O 3.37Å
613	F	95.4	Very high	90.2	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.2	-179.6	-172.8	-129.1	0	0	0	111.1	I615 A628 L629 L658 M661 F682 Y683 D685	F613-I615 HydrophobicContact CE1-CD1 3.72Å; F613-I615 HydrophobicContact CE1-CG1 4.02Å; F613-I615 HydrophobicContact CE2-CG1 4.33Å; F613-I615 HydrophobicContact CZ-CD1 3.76Å; F613-I615 HydrophobicContact CZ-CG1 3.81Å; F613-A628 VanDerWaalsContact CD2-O 3.29Å; F613-A628 WeakPolarHBondContact CD2-O 3.42Å; F613-L629 HydrophobicContact CD2-CB 4.15Å; F613-L658 HydrophobicContact CD1-CD1 3.87Å; F613-L658 HydrophobicContact CD1-CD2 4.23Å; F613-L658 HydrophobicContact CD2-CD1 4.06Å; F613-L658 HydrophobicContact CE1-CD1 3.88Å; F613-L658 HydrophobicContact CE1-CD2 4.17Å; F613-L658 HydrophobicContact CE1-CG 4.43Å; F613-L658 HydrophobicContact CE2-CD1 4.08Å; F613-L658 HydrophobicContact CG-CD1 3.99Å; F613-L658 HydrophobicContact CZ-CD1 4Å; F613-M661 HydrophobicContact CD2-CE 4.41Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.13Å; F613-F682 HydrophobicContact CB-CE1 4.05Å; F613-F682 HydrophobicContact CB-CZ 3.66Å; F613-F682 HydrophobicContact CD1-CZ 4.31Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; F613-Y683 PolarHBondContact N-O 2.92Å; F613-D685 PolarHBondContact O-N 3.36Å
614	D	92.7	Very high	90	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.032	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	158.2	174.4	-169.1	19.4	0	0	0	109.6	A628 D685 A817 K818	D614-A628 PolarHBondContact N-O 3.11Å; D614-A628 PolarHBondContact O-N 2.71Å; D614-D685 HydrophobicContact CB-CB 4.23Å; D614-A817 HydrophobicContact CB-CB 4.08Å; D614-K818 HydrophobicContact CB-CB 4.33Å; D614-K818 IonicContact OD1-NZ 3.05Å; D614-K818 WeakPolarHBondContact OD2-CA 3.48Å; D614-K818 WeakPolarHBondContact OD2-CB 2.94Å; D614-K818 WeakPolarHBondContact OD2-CG 3.3Å; D614-K818 IonicContact OD2-NZ 2.68Å; D614-K818 PolarHBondContact OD2-NZ 3.2Å
615	I	90.2	Very high	90	Very high	34 Å²	34	49.8 Å²	49.8	17%	0.174	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.6	-167.5	-54.1	178.4	0	0	0	110.3	F613 A625 Y626 V653	F613-I615 HydrophobicContact CE1-CD1 3.72Å; F613-I615 HydrophobicContact CE1-CG1 4.02Å; F613-I615 HydrophobicContact CE2-CG1 4.33Å; F613-I615 HydrophobicContact CZ-CD1 3.76Å; F613-I615 HydrophobicContact CZ-CG1 3.81Å; I615-A625 HydrophobicContact CG2-CB 3.92Å; I615-Y626 WeakPolarHBondContact CA-O 3.32Å; I615-V653 HydrophobicContact CD1-CG1 3.36Å; I615-V653 HydrophobicContact CG2-CG1 4.3Å
616	A	89.1	Confident	90.1	Very high	16 Å²	16	48.6 Å²	48.6	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.8	178.5	0	0	0	0	0	111.5	A625 Y626 A821	A616-A625 CarbonylContact O-C 3.41Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.1Å; A616-Y626 PolarHBondContact N-O 2.79Å; A616-Y626 PolarHBondContact O-N 3.31Å; A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.79Å; A616-A821 WeakPolarHBondContact CB-O 3.46Å
617	K	88.3	Confident	90.2	Very high	128 Å²	128	45.5 Å²	45.5	56%	0.557	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	143.8	172.5	-62	-163.4	173.7	-154.8	0	110.4	A625 A650	K617-A625 HydrophobicContact CG-CB 4.42Å; K617-A650 HydrophobicContact CD-CB 4.25Å; K617-A650 PolarHBondContact NZ-O 3.13Å
618	S	88.3	Confident	90.2	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.042	20%	0.2	C	C	.	.			trans	-69.8	132.2	175.2	-177	0	0	0	0	110.2	R620 D621 R624 G825 H829	S618-R620 VanDerWaalsContact C-N 3.3Å; S618-R620 PolarHBondContact OG-N 3.03Å; S618-D621 WeakPolarHBondContact CB-O 3.31Å; S618-D621 PolarHBondContact OG-N 3.04Å; S618-R624 PolarHBondContact N-O 2.78Å; S618-G825 WeakPolarHBondContact CA-O 3.34Å; S618-H829 PolarHBondContact OG-ND1 3.46Å
619	T	83.8	Confident	90.2	Very high	92 Å²	92	45.3 Å²	45.3	56%	0.564	20%	0.2	S	C	*	.	S	Bend	trans	-73.5	-25.9	175.2	56.2	0	0	0	0	112.2	G825 T826 H829	T619-G825 PolarHBondContact N-O 3.27Å; T619-G825 PolarHBondContact OG1-O 3Å; T619-T826 HydrophobicContact CG2-CG2 4.19Å; T619-H829 PolarHBondContact OG1-CE1 3.46Å
620	R	80.3	Confident	90.2	Very high	191 Å²	191	45.3 Å²	45.3	72%	0.721	20%	0.2	S	C	*	.	S	Bend	trans	-80.7	-33	178.6	175.8	179.3	164.3	-143.4	-5.4	113.6	S618	S618-R620 VanDerWaalsContact C-N 3.3Å; S618-R620 PolarHBondContact OG-N 3.03Å
621	D	80.4	Confident	90.2	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	20%	0.2	S	C	.	.			trans	-140.5	104.8	-179.1	-179.3	-5.5	0	0	0	110.1	S618 K623 R624	S618-D621 WeakPolarHBondContact CB-O 3.31Å; S618-D621 PolarHBondContact OG-N 3.04Å; D621-K623 PolarHBondContact O-N 2.78Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.5Å; D621-K623 PolarHBondContact OD1-N 3.01Å; D621-R624 HydrophobicContact CB-CB 4.46Å; D621-R624 HydrophobicContact CB-CG 4.22Å; D621-R624 PolarHBondContact O-N 3.08Å; D621-R624 WeakPolarHBondContact OD2-CD 3.28Å; D621-R624 WeakPolarHBondContact OD2-CG 3.38Å; D621-R624 IonicContact OD2-CZ 3.12Å; D621-R624 IonicContact OD2-NE 2.72Å; D621-R624 PolarHBondContact OD2-NE 3.36Å
622	R	75.7	Confident	90.2	Very high	170 Å²	170	45.2 Å²	45.2	64%	0.642	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-11.7	-177.6	-63.2	-175.1	-175.6	176.3	5.9	113.8	D288 A650	D288-R622 IonicContact OD2-NH1 3.9Å; D288-R622 PolarHBondContact OD2-NH1 2.93Å; R622-A650 WeakPolarHBondContact O-CB 3.3Å
623	K	81.3	Confident	90.2	Very high	143 Å²	143	45.2 Å²	45.2	62%	0.622	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.1	174.2	-55.1	-174.5	179.6	177.9	0	113.1	D621 A650 F651	D621-K623 PolarHBondContact O-N 2.78Å; D621-K623 VanDerWaalsContact OD1-CB 3.28Å; D621-K623 WeakPolarHBondContact OD1-CB 3.5Å; D621-K623 PolarHBondContact OD1-N 3.01Å; K623-A650 VanDerWaalsContact C-CB 3.47Å; K623-A650 VanDerWaalsContact O-CB 3.27Å; K623-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 PolarHBondContact O-N 3.43Å; K623-F651 HydrophobicContact CB-CE2 3.94Å; K623-F651 HydrophobicContact CG-CE2 3.95Å; K623-F651 HydrophobicContact CG-CZ 4.39Å
624	R	87.2	Confident	90	Very high	108 Å²	108	45 Å²	45	41%	0.408	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	145.2	-177.6	-62.8	173.7	-166.9	-117.5	2.4	112.2	S618 D621 E647	S618-R624 PolarHBondContact N-O 2.78Å; D621-R624 HydrophobicContact CB-CB 4.46Å; D621-R624 HydrophobicContact CB-CG 4.22Å; D621-R624 PolarHBondContact O-N 3.08Å; D621-R624 WeakPolarHBondContact OD2-CD 3.28Å; D621-R624 WeakPolarHBondContact OD2-CG 3.38Å; D621-R624 IonicContact OD2-CZ 3.12Å; D621-R624 IonicContact OD2-NE 2.72Å; D621-R624 PolarHBondContact OD2-NE 3.36Å; R624-E647 WeakPolarHBondContact CD-OE1 3.48Å; R624-E647 WeakPolarHBondContact CG-OE1 3.49Å; R624-E647 IonicContact CZ-OE1 3.14Å; R624-E647 IonicContact NE-OE1 2.77Å; R624-E647 IonicContact NH1-OE1 2.72Å; R624-E647 PolarHBondContact NH1-OE1 2.85Å; R624-E647 IonicContact NH1-OE2 3.87Å; R624-E647 PolarHBondContact NH1-OE2 3.19Å
625	A	90.1	Very high	90	Very high	1 Å²	1	45 Å²	45	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160.7	167.1	0	0	0	0	0	110.2	I615 A616 K617 C648 A650	I615-A625 HydrophobicContact CG2-CB 3.92Å; A616-A625 CarbonylContact O-C 3.41Å; A616-A625 VanDerWaalsContact O-CA 3.28Å; A616-A625 WeakPolarHBondContact O-CA 3.1Å; K617-A625 HydrophobicContact CG-CB 4.42Å; A625-C648 VanDerWaalsContact C-SG 3.54Å; A625-C648 PolarHBondContact N-O 2.8Å; A625-C648 PolarHBondContact O-N 3.27Å; A625-C648 VanDerWaalsContact O-O 3.13Å; A625-C648 PolarHBondContact O-SG 3.45Å; A625-A650 HydrophobicContact CB-CB 4.23Å
626	Y	92.7	Very high	89.8	Confident	3 Å²	3	48.2 Å²	48.2	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120.8	176.9	-62.3	-81.5	0	0	0	109.3	I615 A616 V645 T646 E647 V824 H829	I615-Y626 WeakPolarHBondContact CA-O 3.32Å; A616-Y626 PolarHBondContact N-O 2.79Å; A616-Y626 PolarHBondContact O-N 3.31Å; Y626-V645 HydrophobicContact CD1-CG1 4.49Å; Y626-T646 WeakPolarHBondContact CA-O 3.45Å; Y626-E647 HydrophobicContact CD1-CB 4.02Å; Y626-E647 HydrophobicContact CD1-CG 4.13Å; Y626-E647 HydrophobicContact CE1-CB 3.83Å; Y626-E647 HydrophobicContact CE1-CG 3.73Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.44Å; Y626-E647 PolarHBondContact OH-OE2 3.38Å; Y626-V824 HydrophobicContact CD1-CG1 3.51Å; Y626-V824 HydrophobicContact CD2-CG1 3.82Å; Y626-V824 HydrophobicContact CE1-CG1 3.84Å; Y626-V824 HydrophobicContact CE2-CG1 4.12Å; Y626-V824 HydrophobicContact CG-CB 4.28Å; Y626-V824 HydrophobicContact CG-CG1 3.49Å; Y626-V824 VanDerWaalsContact CG-CG1 3.49Å; Y626-H829 PolarHBondContact OH-O 3.4Å
627	G	93.1	Very high	89.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.3	171.5	0	0	0	0	0	109.5	V645 T646	G627-V645 WeakPolarHBondContact O-CA 3.14Å; G627-V645 WeakPolarHBondContact O-CG1 3.45Å; G627-T646 PolarHBondContact N-O 3.05Å; G627-T646 PolarHBondContact O-N 2.87Å
628	A	95.7	Very high	89.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.1	177.8	0	0	0	0	0	110.4	F613 D614 T644 V645 A817 L820 A821	F613-A628 VanDerWaalsContact CD2-O 3.29Å; F613-A628 WeakPolarHBondContact CD2-O 3.42Å; D614-A628 PolarHBondContact N-O 3.11Å; D614-A628 PolarHBondContact O-N 2.71Å; A628-T644 WeakPolarHBondContact CA-O 3.39Å; A628-V645 HydrophobicContact CB-CG2 4.05Å; A628-A817 WeakPolarHBondContact O-CB 3.4Å; A628-L820 HydrophobicContact CB-CB 4.01Å; A628-L820 HydrophobicContact CB-CD2 4.06Å; A628-L820 HydrophobicContact CB-CG 3.83Å; A628-A821 HydrophobicContact CB-CB 3.76Å
629	L	97.4	Very high	89.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.2	177.7	-177.5	147	0	0	0	109.9	I611 G612 F613 A631 S643 T644 L658 M661 I662 A665 F682	I611-L629 HydrophobicContact CG2-CD1 3.8Å; I611-L629 HydrophobicContact CG2-CD2 4.05Å; I611-L629 HydrophobicContact CG2-CG 3.75Å; G612-L629 WeakPolarHBondContact O-CA 3.43Å; F613-L629 HydrophobicContact CD2-CB 4.15Å; L629-A631 HydrophobicContact CD2-CB 4.32Å; L629-S643 WeakPolarHBondContact O-CA 3.34Å; L629-T644 HydrophobicContact CB-CG2 4.13Å; L629-T644 HydrophobicContact CD2-CG2 4.24Å; L629-T644 PolarHBondContact N-O 3.45Å; L629-T644 PolarHBondContact O-N 2.76Å; L629-L658 HydrophobicContact CD1-CD1 3.79Å; L629-M661 HydrophobicContact CB-CB 3.97Å; L629-M661 HydrophobicContact CB-CE 4.36Å; L629-M661 HydrophobicContact CB-SD 4.06Å; L629-M661 HydrophobicContact CD1-CB 3.98Å; L629-M661 HydrophobicContact CG-CB 4.38Å; L629-I662 HydrophobicContact CD1-CG1 3.64Å; L629-A665 HydrophobicContact CD2-CB 4.16Å; L629-F682 HydrophobicContact CD1-CE2 4.29Å
630	I	98.5	Very high	90	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.5	175.2	-51.7	-62.9	0	0	0	108.5	I611 G612 Y641 F642 V813 Y816 A817 L820 Y842	I611-I630 CarbonylContact C-O 3.51Å; I611-I630 VanDerWaalsContact CA-O 3.28Å; I611-I630 WeakPolarHBondContact CA-O 3.21Å; G612-I630 PolarHBondContact N-O 3.22Å; G612-I630 PolarHBondContact O-N 2.71Å; I630-Y641 HydrophobicContact CG2-CD1 3.99Å; I630-F642 CarbonylContact C-O 3.46Å; I630-F642 WeakPolarHBondContact CA-O 3.13Å; I630-V813 HydrophobicContact CG2-CG1 4.42Å; I630-Y816 HydrophobicContact CG2-CD2 4.46Å; I630-A817 HydrophobicContact CG1-CB 3.89Å; I630-L820 HydrophobicContact CD1-CD2 3.77Å; I630-Y842 HydrophobicContact CD1-CE1 4.37Å
631	A	98.6	Very high	90.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	142.3	177.9	0	0	0	0	0	111.6	M609 T610 I611 L629 Y641 F642 A665	M609-A631 HydrophobicContact CE-CB 3.59Å; M609-A631 HydrophobicContact CG-CB 4.41Å; T610-A631 CarbonylContact O-C 3.59Å; T610-A631 WeakPolarHBondContact O-CA 3.37Å; I611-A631 HydrophobicContact CG1-CB 4.12Å; L629-A631 HydrophobicContact CD2-CB 4.32Å; A631-Y641 CarbonylContact O-C 3.46Å; A631-Y641 WeakPolarHBondContact O-CA 3.16Å; A631-F642 PolarHBondContact N-O 3.42Å; A631-F642 PolarHBondContact O-N 3.1Å; A631-A665 HydrophobicContact CB-CB 3.88Å
632	S	98.3	Very high	91.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	145.1	173.3	68.4	0	0	0	0	112.9	T610	T610-S632 PolarHBondContact N-OG 3.25Å; T610-S632 PolarHBondContact O-N 2.65Å
633	M	96.9	Very high	92.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-104.3	72.2	-176.3	-64.3	-54.9	169.5	0	0	112.9	N638 T640 F642 A665 Q668 Y669 H673	M633-N638 WeakPolarHBondContact O-CB 3.47Å; M633-T640 PolarHBondContact N-O 2.9Å; M633-F642 HydrophobicContact CE-CB 3.28Å; M633-F642 HydrophobicContact CE-CG 3.99Å; M633-A665 WeakPolarHBondContact CE-O 3.32Å; M633-Q668 HydrophobicContact CE-CB 3.93Å; M633-Q668 HydrophobicContact CE-CG 4Å; M633-Y669 WeakPolarHBondContact SD-CA 3.49Å; M633-Y669 WeakPolarHBondContact SD-CB 3.16Å; M633-Y669 HydrophobicContact SD-CD2 3.59Å; M633-Y669 VanDerWaalsContact SD-CD2 3.59Å; M633-Y669 HydrophobicContact SD-CG 3.89Å; M633-H673 VanDerWaalsContact C-NE2 3.32Å; M633-H673 PolarHBondContact O-CE1 3.47Å; M633-H673 PolarHBondContact O-NE2 3.4Å
634	D	91	Very high	93.5	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.			trans	48.2	80.2	-172.1	-156.7	-18.8	0	0	0	112.9	G607 Q636 Q637 N638 Y669	G607-D634 VanDerWaalsContact CA-OD2 3.28Å; G607-D634 WeakPolarHBondContact CA-OD2 3.39Å; G607-D634 PolarHBondContact N-OD2 3.47Å; D634-Q636 PolarHBondContact O-N 3.19Å; D634-Q636 PolarHBondContact OD1-N 3.09Å; D634-Q637 PolarHBondContact O-N 2.87Å; D634-N638 PolarHBondContact O-N 3.26Å; D634-Y669 HydrophobicContact CB-CE2 4.05Å; D634-Y669 WeakPolarHBondContact CB-OH 3.36Å; D634-Y669 PolarHBondContact OD2-OH 2.73Å
635	L	93.6	Very high	93.9	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.031	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-28.3	-176.8	-70	178.1	0	0	0	113.1	M600 L603 Q637 Y641 M797 L800	M600-L635 HydrophobicContact CE-CB 3.46Å; M600-L635 VanDerWaalsContact CE-CB 3.46Å; M600-L635 HydrophobicContact CE-CD2 3.84Å; M600-L635 HydrophobicContact CE-CG 4.13Å; M600-L635 WeakPolarHBondContact CE-O 3.41Å; L603-L635 HydrophobicContact CD2-CB 3.61Å; L603-L635 HydrophobicContact CD2-CD1 4.19Å; L603-L635 HydrophobicContact CD2-CG 4.49Å; L635-Q637 VanDerWaalsContact C-N 3.29Å; L635-Q637 PolarHBondContact O-N 2.92Å; L635-Y641 HydrophobicContact CD2-CE1 4.47Å; L635-Y641 HydrophobicContact CD2-CE2 3.94Å; L635-M797 HydrophobicContact CD1-CE 3.91Å; L635-M797 HydrophobicContact CD1-SD 4.14Å; L635-L800 HydrophobicContact CD1-CD1 3.85Å
636	Q	85.2	Confident	94.1	Very high	100 Å²	100	17.9 Å²	17.9	47%	0.467	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.6	177.2	-172.8	177.4	-9.9	0	0	113.2	S606 D634	S606-Q636 VanDerWaalsContact CA-OE1 3.23Å; S606-Q636 VanDerWaalsContact N-OE1 3.15Å; S606-Q636 PolarHBondContact OG-OE1 2.93Å; D634-Q636 PolarHBondContact O-N 3.19Å; D634-Q636 PolarHBondContact OD1-N 3.09Å
637	Q	85.4	Confident	94	Very high	126 Å²	126	20.8 Å²	20.8	59%	0.589	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-36.1	-175.8	-57.9	-166.7	-33	0	0	112.8	D634 L635	D634-Q637 PolarHBondContact O-N 2.87Å; L635-Q637 VanDerWaalsContact C-N 3.29Å; L635-Q637 PolarHBondContact O-N 2.92Å
638	N	83.6	Confident	93.7	Very high	37 Å²	37	21.5 Å²	21.5	20%	0.198	11%	0.11	C	C	.	.			trans	-141.2	103.9	-172.1	167.1	3.1	0	0	0	108.7	M633 D634 T640 E672	M633-N638 WeakPolarHBondContact O-CB 3.47Å; D634-N638 PolarHBondContact O-N 3.26Å; N638-T640 PolarHBondContact O-N 2.82Å; N638-T640 WeakPolarHBondContact OD1-CB 3.4Å; N638-T640 VanDerWaalsContact OD1-CG2 3.28Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.15Å; N638-T640 PolarHBondContact OD1-N 2.6Å; N638-T640 PolarHBondContact OD1-OG1 3.49Å; N638-E672 PolarHBondContact ND2-OE2 2.84Å
639	S	89.6	Confident	93	Very high	15 Å²	15	23.8 Å²	23.8	11%	0.105	13%	0.126	C	C	.	.			trans	-78.4	28.8	-170.6	-167.3	0	0	0	0	114.7	T597 M600	T597-S639 WeakPolarHBondContact CG2-OG 3.35Å; T597-S639 PolarHBondContact OG1-O 2.7Å; M600-S639 WeakPolarHBondContact CE-OG 3.38Å
640	T	95.2	Very high	91.8	Very high	27 Å²	27	24 Å²	24	17%	0.166	13%	0.128	C	C	.	.			trans	-105.9	168.1	-176.6	68.5	0	0	0	0	113	M633 N638 K838	M633-T640 PolarHBondContact N-O 2.9Å; N638-T640 PolarHBondContact O-N 2.82Å; N638-T640 WeakPolarHBondContact OD1-CB 3.4Å; N638-T640 VanDerWaalsContact OD1-CG2 3.28Å; N638-T640 WeakPolarHBondContact OD1-CG2 3.15Å; N638-T640 PolarHBondContact OD1-N 2.6Å; N638-T640 PolarHBondContact OD1-OG1 3.49Å; T640-K838 PolarHBondContact OG1-NZ 3.48Å
641	Y	98.3	Very high	90.2	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.027	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	160	-178.8	-65.8	-104.7	0	0	0	110.4	I630 A631 L635 Y802 V813 K838 F840	I630-Y641 HydrophobicContact CG2-CD1 3.99Å; A631-Y641 CarbonylContact O-C 3.46Å; A631-Y641 WeakPolarHBondContact O-CA 3.16Å; L635-Y641 HydrophobicContact CD2-CE1 4.47Å; L635-Y641 HydrophobicContact CD2-CE2 3.94Å; Y641-Y802 HydrophobicContact CE2-CE2 4.28Å; Y641-V813 HydrophobicContact CD1-CG1 4.23Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y641-K838 WeakPolarHBondContact O-CE 3.21Å; Y641-F840 HydrophobicContact CD2-CE1 4.14Å; Y641-F840 HydrophobicContact CD2-CE2 4.22Å; Y641-F840 AromaticContact CD2-CZ 3.38Å; Y641-F840 HydrophobicContact CD2-CZ 3.38Å; Y641-F840 AromaticContact CE2-CZ 3.92Å; Y641-F840 HydrophobicContact CE2-CZ 3.92Å; Y641-F840 HydrophobicContact CG-CE1 4.3Å; Y641-F840 AromaticContact CG-CZ 3.96Å; Y641-F840 HydrophobicContact CG-CZ 3.96Å
642	F	98.6	Very high	88.7	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.9	169.3	174.2	-96.7	0	0	0	108.9	I630 A631 M633 T644 K664 A665 Q668 E837	I630-F642 CarbonylContact C-O 3.46Å; I630-F642 WeakPolarHBondContact CA-O 3.13Å; A631-F642 PolarHBondContact N-O 3.42Å; A631-F642 PolarHBondContact O-N 3.1Å; M633-F642 HydrophobicContact CE-CB 3.28Å; M633-F642 HydrophobicContact CE-CG 3.99Å; F642-T644 HydrophobicContact CD1-CG2 4.44Å; F642-T644 HydrophobicContact CE1-CG2 3.64Å; F642-T644 HydrophobicContact CZ-CG2 4.35Å; F642-K664 HydrophobicContact CE1-CB 4.11Å; F642-K664 HydrophobicContact CZ-CB 3.84Å; F642-A665 HydrophobicContact CD1-CB 3.64Å; F642-A665 HydrophobicContact CE1-CB 3.87Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.8Å; F642-Q668 HydrophobicContact CE2-CB 4.24Å; F642-Q668 HydrophobicContact CE2-CG 4.32Å; F642-Q668 HydrophobicContact CG-CG 4.47Å; F642-E837 CarbonylContact C-O 3.27Å; F642-E837 WeakPolarHBondContact CA-O 3.37Å; F642-E837 HydrophobicContact CD2-CB 3.89Å; F642-E837 HydrophobicContact CE2-CB 3.68Å; F642-E837 HydrophobicContact CE2-CG 3.96Å; F642-E837 VanDerWaalsContact CE2-OE2 3.31Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.3Å; F642-E837 HydrophobicContact CZ-CB 4.48Å; F642-E837 HydrophobicContact CZ-CG 4.35Å
643	S	98.1	Very high	87	Confident	2 Å²	2	38 Å²	38	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	126.3	-175.2	61	0	0	0	0	111.1	L629 E837	L629-S643 WeakPolarHBondContact O-CA 3.34Å; S643-E837 PolarHBondContact N-O 3.48Å; S643-E837 WeakPolarHBondContact O-CA 3.45Å; S643-E837 WeakPolarHBondContact O-CG 3.28Å; S643-E837 PolarHBondContact OG-O 3.02Å
644	T	97.4	Very high	85.4	Confident	8 Å²	8	40 Å²	40	5%	0.049	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.5	-178.9	-176	0	0	0	0	110.1	A628 L629 F642 M661 K664	A628-T644 WeakPolarHBondContact CA-O 3.39Å; L629-T644 HydrophobicContact CB-CG2 4.13Å; L629-T644 HydrophobicContact CD2-CG2 4.24Å; L629-T644 PolarHBondContact N-O 3.45Å; L629-T644 PolarHBondContact O-N 2.76Å; F642-T644 HydrophobicContact CD1-CG2 4.44Å; F642-T644 HydrophobicContact CE1-CG2 3.64Å; F642-T644 HydrophobicContact CZ-CG2 4.35Å; T644-M661 HydrophobicContact CG2-CB 3.55Å; T644-M661 HydrophobicContact CG2-CG 3.63Å; T644-M661 HydrophobicContact CG2-SD 4.02Å; T644-K664 PolarHBondContact OG1-NZ 3.13Å
645	V	95.8	Very high	83.6	Confident	10 Å²	10	41.6 Å²	41.6	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.2	-178.2	-169.3	0	0	0	0	109.8	Y626 G627 A628 L820 V824	Y626-V645 HydrophobicContact CD1-CG1 4.49Å; G627-V645 WeakPolarHBondContact O-CA 3.14Å; G627-V645 WeakPolarHBondContact O-CG1 3.45Å; A628-V645 HydrophobicContact CB-CG2 4.05Å; V645-L820 HydrophobicContact CG2-CD1 3.76Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.48Å; V645-L820 VanDerWaalsContact CG2-CG 3.48Å; V645-V824 HydrophobicContact CG1-CB 4.45Å; V645-V824 HydrophobicContact CG1-CG1 4.28Å; V645-V824 HydrophobicContact CG1-CG2 4.16Å; V645-V824 HydrophobicContact CG2-CG2 4.22Å
646	T	93.4	Very high	82.2	Confident	32 Å²	32	46.5 Å²	46.5	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.3	170.1	-165.4	0	0	0	0	110.9	Y626 G627 M661	Y626-T646 WeakPolarHBondContact CA-O 3.45Å; G627-T646 PolarHBondContact N-O 3.05Å; G627-T646 PolarHBondContact O-N 2.87Å; T646-M661 HydrophobicContact CG2-CE 3.51Å; T646-M661 HydrophobicContact CG2-SD 3.8Å
647	E	91.1	Very high	81.9	Confident	65 Å²	65	43.8 Å²	43.8	30%	0.304	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	144.2	167.9	-165.6	174.7	125.9	0	0	109.8	R624 Y626	R624-E647 WeakPolarHBondContact CD-OE1 3.48Å; R624-E647 WeakPolarHBondContact CG-OE1 3.49Å; R624-E647 IonicContact CZ-OE1 3.14Å; R624-E647 IonicContact NE-OE1 2.77Å; R624-E647 IonicContact NH1-OE1 2.72Å; R624-E647 PolarHBondContact NH1-OE1 2.85Å; R624-E647 IonicContact NH1-OE2 3.87Å; R624-E647 PolarHBondContact NH1-OE2 3.19Å; Y626-E647 HydrophobicContact CD1-CB 4.02Å; Y626-E647 HydrophobicContact CD1-CG 4.13Å; Y626-E647 HydrophobicContact CE1-CB 3.83Å; Y626-E647 HydrophobicContact CE1-CG 3.73Å; Y626-E647 WeakPolarHBondContact CE1-OE2 3.44Å; Y626-E647 PolarHBondContact OH-OE2 3.38Å
648	C	85.4	Confident	82.1	Confident	14 Å²	14	38.4 Å²	38.4	10%	0.095	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	165	-179.7	60	0	0	0	0	111.1	A625	A625-C648 VanDerWaalsContact C-SG 3.54Å; A625-C648 PolarHBondContact N-O 2.8Å; A625-C648 PolarHBondContact O-N 3.27Å; A625-C648 VanDerWaalsContact O-O 3.13Å; A625-C648 PolarHBondContact O-SG 3.45Å
649	S	81.1	Confident	82.5	Confident	48 Å²	48	38 Å²	38	34%	0.336	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	133.9	175.8	176.2	0	0	0	0	110.6	F651 D652 V653	S649-F651 PolarHBondContact O-N 2.97Å; S649-F651 PolarHBondContact OG-N 3.23Å; S649-D652 WeakPolarHBondContact CB-O 3.49Å; S649-D652 CarbonylContact O-C 3.54Å; S649-D652 PolarHBondContact OG-N 3.4Å; S649-V653 WeakPolarHBondContact O-CG2 3.45Å
650	A	72.1	Confident	82.7	Confident	4 Å²	4	40.7 Å²	40.7	3%	0.033	23%	0.225	C	C	.	.	S	Bend	trans	-74.3	-2.5	172.8	0	0	0	0	0	113.5	K617 R622 K623 A625	K617-A650 HydrophobicContact CD-CB 4.25Å; K617-A650 PolarHBondContact NZ-O 3.13Å; R622-A650 WeakPolarHBondContact O-CB 3.3Å; K623-A650 VanDerWaalsContact C-CB 3.47Å; K623-A650 VanDerWaalsContact O-CB 3.27Å; K623-A650 WeakPolarHBondContact O-CB 3.38Å; K623-A650 PolarHBondContact O-N 3.43Å; A625-A650 HydrophobicContact CB-CB 4.23Å
651	F	65.3	Low	82.8	Confident	160 Å²	160	39.6 Å²	39.6	70%	0.702	22%	0.218	S	C	*	.	S	Bend	trans	-109.7	-39.2	176.1	-53.5	-73.9	0	0	0	112.1	K623 S649	K623-F651 HydrophobicContact CB-CE2 3.94Å; K623-F651 HydrophobicContact CG-CE2 3.95Å; K623-F651 HydrophobicContact CG-CZ 4.39Å; S649-F651 PolarHBondContact O-N 2.97Å; S649-F651 PolarHBondContact OG-N 3.23Å
652	D	67.9	Low	82.7	Confident	83 Å²	83	39.4 Å²	39.4	44%	0.444	22%	0.218	S	C	.	.			trans	-110.3	88.7	171	-174.6	1.6	0	0	0	109.9	S649 L654 A655	S649-D652 WeakPolarHBondContact CB-O 3.49Å; S649-D652 CarbonylContact O-C 3.54Å; S649-D652 PolarHBondContact OG-N 3.4Å; D652-L654 VanDerWaalsContact C-N 3.33Å; D652-L654 PolarHBondContact OD1-N 2.95Å; D652-A655 PolarHBondContact OD1-N 2.86Å; D652-A655 VanDerWaalsContact OD1-N 3.07Å
653	V	62.4	Low	82.6	Confident	53 Å²	53	39.6 Å²	39.6	32%	0.321	22%	0.22	S	C	.	.			trans	-88.8	-6.8	-176.4	-176.9	0	0	0	0	111.3	I615 S649	I615-V653 HydrophobicContact CD1-CG1 3.36Å; I615-V653 HydrophobicContact CG2-CG1 4.3Å; S649-V653 WeakPolarHBondContact O-CG2 3.45Å
654	L	64.1	Low	82.6	Confident	41 Å²	41	42.7 Å²	42.7	22%	0.215	23%	0.233	C	C	.	.	S	Bend	trans	-100.5	-7.5	179.8	-61.2	175.9	0	0	0	112.4	D652 Q694 L695 F698 E699	D652-L654 VanDerWaalsContact C-N 3.33Å; D652-L654 PolarHBondContact OD1-N 2.95Å; L654-Q694 HydrophobicContact CD1-CB 3.7Å; L654-L695 HydrophobicContact CD2-CD1 3.79Å; L654-F698 HydrophobicContact CD1-CD2 4.32Å; L654-E699 HydrophobicContact CD2-CG 4.37Å
655	A	53.1	Low	82.6	Confident	34 Å²	34	42.3 Å²	42.3	28%	0.281	23%	0.231	S	C	.	.	S	Bend	trans	-51.2	149.9	176.6	0	0	0	0	0	113.8	D652 T657	D652-A655 PolarHBondContact OD1-N 2.86Å; D652-A655 VanDerWaalsContact OD1-N 3.07Å; A655-T657 PolarHBondContact O-N 3.32Å; A655-T657 PolarHBondContact O-OG1 2.86Å
656	N	63.8	Low	82.8	Confident	109 Å²	109	42 Å²	42	58%	0.583	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	22.7	-164.5	-148.4	-25.1	0	0	0	117.3	K706	N656-K706 PolarHBondContact OD1-NZ 2.79Å
657	T	78.1	Confident	83	Confident	42 Å²	42	47.2 Å²	47.2	26%	0.258	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.3	-177.7	65.2	0	0	0	0	114	A655	A655-T657 PolarHBondContact O-N 3.32Å; A655-T657 PolarHBondContact O-OG1 2.86Å
658	L	88.9	Confident	83.3	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-43.7	178.8	175.2	55.9	0	0	0	112.3	F613 L629 M661 I662 F682 E699 I703	F613-L658 HydrophobicContact CD1-CD1 3.87Å; F613-L658 HydrophobicContact CD1-CD2 4.23Å; F613-L658 HydrophobicContact CD2-CD1 4.06Å; F613-L658 HydrophobicContact CE1-CD1 3.88Å; F613-L658 HydrophobicContact CE1-CD2 4.17Å; F613-L658 HydrophobicContact CE1-CG 4.43Å; F613-L658 HydrophobicContact CE2-CD1 4.08Å; F613-L658 HydrophobicContact CG-CD1 3.99Å; F613-L658 HydrophobicContact CZ-CD1 4Å; L629-L658 HydrophobicContact CD1-CD1 3.79Å; L658-M661 HydrophobicContact CD1-CE 4.25Å; L658-M661 WeakPolarHBondContact O-CB 3.43Å; L658-M661 PolarHBondContact O-N 3.27Å; L658-M661 VanDerWaalsContact O-N 3.11Å; L658-I662 HydrophobicContact CD1-CD1 4.19Å; L658-I662 HydrophobicContact CD1-CG1 4.31Å; L658-I662 HydrophobicContact CG-CD1 3.97Å; L658-I662 PolarHBondContact O-N 3.34Å; L658-F682 HydrophobicContact CD1-CE2 4.33Å; L658-F682 HydrophobicContact CD1-CZ 4.06Å; L658-F682 HydrophobicContact CD2-CZ 4.05Å; L658-E699 HydrophobicContact CD2-CB 4.48Å; L658-E699 HydrophobicContact CD2-CG 4.13Å; L658-E699 WeakPolarHBondContact CD2-OE2 3.26Å; L658-I703 HydrophobicContact CD2-CD1 3.98Å
659	W	93.3	Very high	83.9	Confident	30 Å²	30	45.8 Å²	45.8	11%	0.114	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-47.1	-174.4	172.4	-100.8	0	0	0	114.3	M661 I662 A663 L666 K706 L707 E710	W659-M661 PolarHBondContact O-N 3.33Å; W659-M661 VanDerWaalsContact O-N 3.11Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.42Å; W659-I662 HydrophobicContact CE3-CG2 4.25Å; W659-I662 HydrophobicContact CH2-CG2 4.48Å; W659-I662 HydrophobicContact CZ3-CB 4.32Å; W659-I662 HydrophobicContact CZ3-CG2 3.87Å; W659-I662 WeakPolarHBondContact O-CB 3.5Å; W659-I662 PolarHBondContact O-N 3.44Å; W659-A663 HydrophobicContact CZ2-CB 4.07Å; W659-A663 PolarHBondContact O-N 3.21Å; W659-L666 HydrophobicContact CH2-CD1 4.33Å; W659-K706 HydrophobicContact CB-CD 3.98Å; W659-K706 HydrophobicContact CD2-CB 3.65Å; W659-K706 HydrophobicContact CD2-CD 3.4Å; W659-K706 HydrophobicContact CD2-CG 4.18Å; W659-K706 HydrophobicContact CE3-CB 3.58Å; W659-K706 HydrophobicContact CE3-CD 3.94Å; W659-K706 HydrophobicContact CE3-CG 4.44Å; W659-K706 HydrophobicContact CG-CB 4.48Å; W659-K706 HydrophobicContact CG-CD 3.33Å; W659-K706 HydrophobicContact CH2-CB 3.58Å; W659-K706 WeakPolarHBondContact CH2-O 3.24Å; W659-K706 HydrophobicContact CZ2-CB 3.64Å; W659-K706 HydrophobicContact CZ3-CB 3.54Å; W659-L707 HydrophobicContact CH2-CD2 4.45Å; W659-L707 HydrophobicContact CZ3-CD2 4.4Å; W659-L707 HydrophobicContact CZ3-CG 4.27Å; W659-E710 HydrophobicContact CH2-CG 3.74Å; W659-E710 HydrophobicContact CZ2-CG 3.41Å; W659-E710 VanDerWaalsContact CZ2-CG 3.41Å
660	P	94.2	Very high	84.6	Confident	70 Å²	70	46.9 Å²	46.9	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-52.9	-33	174.9	-29.9	36	0	0	0	114.4	K664	P660-K664 WeakPolarHBondContact O-CG 3.44Å; P660-K664 PolarHBondContact O-N 2.86Å
661	M	96	Very high	85.8	Confident	4 Å²	4	52.3 Å²	52.3	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-72.4	-38.1	176.6	-66.9	-171.9	-69.9	0	0	112.6	F613 L629 T644 T646 L658 W659 A665	F613-M661 HydrophobicContact CD2-CE 4.41Å; F613-M661 HydrophobicContact CE2-CE 3.6Å; F613-M661 HydrophobicContact CZ-CE 4.13Å; L629-M661 HydrophobicContact CB-CB 3.97Å; L629-M661 HydrophobicContact CB-CE 4.36Å; L629-M661 HydrophobicContact CB-SD 4.06Å; L629-M661 HydrophobicContact CD1-CB 3.98Å; L629-M661 HydrophobicContact CG-CB 4.38Å; T644-M661 HydrophobicContact CG2-CB 3.55Å; T644-M661 HydrophobicContact CG2-CG 3.63Å; T644-M661 HydrophobicContact CG2-SD 4.02Å; T646-M661 HydrophobicContact CG2-CE 3.51Å; T646-M661 HydrophobicContact CG2-SD 3.8Å; L658-M661 HydrophobicContact CD1-CE 4.25Å; L658-M661 WeakPolarHBondContact O-CB 3.43Å; L658-M661 PolarHBondContact O-N 3.27Å; L658-M661 VanDerWaalsContact O-N 3.11Å; W659-M661 PolarHBondContact O-N 3.33Å; W659-M661 VanDerWaalsContact O-N 3.11Å; M661-A665 WeakPolarHBondContact O-CB 3.48Å; M661-A665 PolarHBondContact O-N 3.47Å; M661-A665 VanDerWaalsContact O-N 3.12Å
662	I	97.1	Very high	87.3	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-46.4	172.8	-62.7	171	0	0	0	109.9	L629 L658 W659 K664 A665 L666 F682 I703	L629-I662 HydrophobicContact CD1-CG1 3.64Å; L658-I662 HydrophobicContact CD1-CD1 4.19Å; L658-I662 HydrophobicContact CD1-CG1 4.31Å; L658-I662 HydrophobicContact CG-CD1 3.97Å; L658-I662 PolarHBondContact O-N 3.34Å; W659-I662 HydrophobicContact CE3-CB 4.19Å; W659-I662 HydrophobicContact CE3-CD1 4.42Å; W659-I662 HydrophobicContact CE3-CG2 4.25Å; W659-I662 HydrophobicContact CH2-CG2 4.48Å; W659-I662 HydrophobicContact CZ3-CB 4.32Å; W659-I662 HydrophobicContact CZ3-CG2 3.87Å; W659-I662 WeakPolarHBondContact O-CB 3.5Å; W659-I662 PolarHBondContact O-N 3.44Å; I662-K664 PolarHBondContact O-N 3.47Å; I662-A665 PolarHBondContact O-N 2.99Å; I662-A665 VanDerWaalsContact O-N 3.12Å; I662-L666 HydrophobicContact CG2-CD1 3.94Å; I662-L666 HydrophobicContact CG2-CG 4.31Å; I662-L666 WeakPolarHBondContact O-CG 3.35Å; I662-L666 PolarHBondContact O-N 3.49Å; I662-F682 HydrophobicContact CD1-CE2 4.01Å; I662-F682 HydrophobicContact CG1-CE2 4.37Å; I662-I703 HydrophobicContact CD1-CD1 3.77Å; I662-I703 HydrophobicContact CD1-CG1 3.76Å
663	A	96.8	Very high	88.6	Confident	6 Å²	6	44.6 Å²	44.6	5%	0.05	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-42.1	178.9	0	0	0	0	0	112.7	W659 L666 R667	W659-A663 HydrophobicContact CZ2-CB 4.07Å; W659-A663 PolarHBondContact O-N 3.21Å; A663-L666 PolarHBondContact O-N 3.24Å; A663-R667 VanDerWaalsContact O-CG 3.27Å; A663-R667 WeakPolarHBondContact O-CG 3.39Å; A663-R667 PolarHBondContact O-N 3.5Å
664	K	97.4	Very high	90.2	Very high	68 Å²	68	51.5 Å²	51.5	30%	0.296	25%	0.245	S	C	.	.	H	α-helix	trans	-58.6	-46.2	171.3	-75.9	176.8	71.5	-169.3	0	111.6	F642 T644 P660 I662 R667 Q668 E837	F642-K664 HydrophobicContact CE1-CB 4.11Å; F642-K664 HydrophobicContact CZ-CB 3.84Å; T644-K664 PolarHBondContact OG1-NZ 3.13Å; P660-K664 WeakPolarHBondContact O-CG 3.44Å; P660-K664 PolarHBondContact O-N 2.86Å; I662-K664 PolarHBondContact O-N 3.47Å; K664-R667 PolarHBondContact O-N 3.01Å; K664-Q668 PolarHBondContact O-N 2.9Å; K664-E837 VanDerWaalsContact CE-OE1 3.27Å; K664-E837 WeakPolarHBondContact CE-OE1 3.4Å; K664-E837 IonicContact NZ-OE1 2.9Å; K664-E837 PolarHBondContact NZ-OE1 3.17Å
665	A	98.3	Very high	91.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-38.9	-179.1	0	0	0	0	0	112.7	M609 L629 A631 M633 F642 M661 I662 Q668 Y669	M609-A665 HydrophobicContact CE-CB 3.36Å; L629-A665 HydrophobicContact CD2-CB 4.16Å; A631-A665 HydrophobicContact CB-CB 3.88Å; M633-A665 WeakPolarHBondContact CE-O 3.32Å; F642-A665 HydrophobicContact CD1-CB 3.64Å; F642-A665 HydrophobicContact CE1-CB 3.87Å; M661-A665 WeakPolarHBondContact O-CB 3.48Å; M661-A665 PolarHBondContact O-N 3.47Å; M661-A665 VanDerWaalsContact O-N 3.12Å; I662-A665 PolarHBondContact O-N 2.99Å; I662-A665 VanDerWaalsContact O-N 3.12Å; A665-Q668 PolarHBondContact O-N 3.41Å; A665-Y669 WeakPolarHBondContact O-CB 3.31Å; A665-Y669 PolarHBondContact O-N 3.22Å
666	L	98.3	Very high	93.8	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-43.4	174.3	-72.5	169.6	0	0	0	111.9	M609 W659 I662 A663 Y669 Q670 L676 P677 I680 L707 Y711	M609-L666 HydrophobicContact CE-CD2 4.36Å; M609-L666 HydrophobicContact SD-CD2 3.79Å; W659-L666 HydrophobicContact CH2-CD1 4.33Å; I662-L666 HydrophobicContact CG2-CD1 3.94Å; I662-L666 HydrophobicContact CG2-CG 4.31Å; I662-L666 WeakPolarHBondContact O-CG 3.35Å; I662-L666 PolarHBondContact O-N 3.49Å; A663-L666 PolarHBondContact O-N 3.24Å; L666-Y669 WeakPolarHBondContact O-CB 3.5Å; L666-Y669 PolarHBondContact O-N 3.46Å; L666-Q670 PolarHBondContact O-N 3.05Å; L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.38Å; L666-P677 HydrophobicContact CD2-CG 3.78Å; L666-I680 HydrophobicContact CD2-CD1 4.06Å; L666-L707 HydrophobicContact CD1-CD2 3.76Å; L666-Y711 HydrophobicContact CD1-CE2 4.41Å; L666-Y711 HydrophobicContact CD2-CE2 4.28Å
667	R	97.7	Very high	95.4	Very high	140 Å²	140	47.5 Å²	47.5	53%	0.528	22%	0.215	S	C	.	.	H	α-helix	trans	-63.7	-41.1	176.4	-69.4	169	-167.3	-176.5	4.3	111.9	A663 K664 Q670 H671 E710	A663-R667 VanDerWaalsContact O-CG 3.27Å; A663-R667 WeakPolarHBondContact O-CG 3.39Å; A663-R667 PolarHBondContact O-N 3.5Å; K664-R667 PolarHBondContact O-N 3.01Å; R667-Q670 PolarHBondContact O-N 3.41Å; R667-H671 WeakPolarHBondContact O-CB 3.48Å; R667-H671 PolarHBondContact O-N 3.23Å; R667-E710 IonicContact NH2-OE1 2.8Å
668	Q	97.9	Very high	96.3	Very high	50 Å²	50	48.9 Å²	48.9	23%	0.234	23%	0.226	C	C	.	.	H	α-helix	trans	-65.3	-40.3	175.3	-172	62.6	30	0	0	111.9	M633 F642 K664 A665 H671 E672 K838	M633-Q668 HydrophobicContact CE-CB 3.93Å; M633-Q668 HydrophobicContact CE-CG 4Å; F642-Q668 HydrophobicContact CD2-CB 4.02Å; F642-Q668 HydrophobicContact CD2-CG 3.8Å; F642-Q668 HydrophobicContact CE2-CB 4.24Å; F642-Q668 HydrophobicContact CE2-CG 4.32Å; F642-Q668 HydrophobicContact CG-CG 4.47Å; K664-Q668 PolarHBondContact O-N 2.9Å; A665-Q668 PolarHBondContact O-N 3.41Å; Q668-H671 PolarHBondContact O-N 2.9Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.48Å; Q668-E672 PolarHBondContact NE2-OE1 2.75Å; Q668-E672 PolarHBondContact O-N 2.57Å; Q668-E672 VanDerWaalsContact O-N 3.08Å; Q668-K838 HydrophobicContact CG-CD 4.17Å
669	Y	97.8	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-49.4	173.2	-169.2	-70.7	0	0	0	110.7	G607 M609 M633 D634 A665 L666 H671 E672 H673 K675 P677	G607-Y669 WeakPolarHBondContact CA-OH 3.4Å; M609-Y669 HydrophobicContact CB-CD2 4.19Å; M609-Y669 HydrophobicContact CB-CE2 4.06Å; M609-Y669 HydrophobicContact CG-CD2 4.3Å; M633-Y669 WeakPolarHBondContact SD-CA 3.49Å; M633-Y669 WeakPolarHBondContact SD-CB 3.16Å; M633-Y669 HydrophobicContact SD-CD2 3.59Å; M633-Y669 VanDerWaalsContact SD-CD2 3.59Å; M633-Y669 HydrophobicContact SD-CG 3.89Å; D634-Y669 HydrophobicContact CB-CE2 4.05Å; D634-Y669 WeakPolarHBondContact CB-OH 3.36Å; D634-Y669 PolarHBondContact OD2-OH 2.73Å; A665-Y669 WeakPolarHBondContact O-CB 3.31Å; A665-Y669 PolarHBondContact O-N 3.22Å; L666-Y669 WeakPolarHBondContact O-CB 3.5Å; L666-Y669 PolarHBondContact O-N 3.46Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 3.39Å; Y669-E672 PolarHBondContact O-N 2.86Å; Y669-H673 HydrophobicContact CD1-CB 4.13Å; Y669-H673 HydrophobicContact CE1-CB 3.97Å; Y669-H673 AromaticContact CE1-CD2 3.99Å; Y669-H673 WeakPolarHBondContact O-CB 3.26Å; Y669-H673 PolarHBondContact O-N 2.86Å; Y669-K675 VanDerWaalsContact CD1-O 3.27Å; Y669-K675 WeakPolarHBondContact CD1-O 3.39Å; Y669-K675 WeakPolarHBondContact CE1-O 3.32Å; Y669-P677 HydrophobicContact CD1-CB 4.31Å; Y669-P677 HydrophobicContact CD1-CG 4.22Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.23Å; Y669-P677 HydrophobicContact CE1-CB 3.84Å; Y669-P677 HydrophobicContact CE1-CG 4.25Å; Y669-P677 HydrophobicContact CE2-CB 3.76Å; Y669-P677 HydrophobicContact CE2-CG 4.27Å; Y669-P677 HydrophobicContact CG-CB 4.49Å; Y669-P677 HydrophobicContact CG-CG 4.22Å
670	Q	96.8	Very high	96.9	Very high	70 Å²	70	50.5 Å²	50.5	33%	0.327	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-34.3	178.6	-167.3	-177.2	4.6	0	0	112.8	L666 R667 R674 K675 L676	L666-Q670 PolarHBondContact O-N 3.05Å; R667-Q670 PolarHBondContact O-N 3.41Å; Q670-R674 WeakPolarHBondContact O-CA 3.44Å; Q670-R674 PolarHBondContact O-N 3.02Å; Q670-K675 WeakPolarHBondContact CA-O 3.38Å; Q670-L676 HydrophobicContact CB-CD2 4.04Å; Q670-L676 HydrophobicContact CG-CD2 4.48Å
671	H	96.6	Very high	97.1	Very high	118 Å²	118	47.1 Å²	47.1	55%	0.546	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-45.9	175.6	-175.1	91.8	0	0	0	111.8	R667 Q668 Y669	R667-H671 WeakPolarHBondContact O-CB 3.48Å; R667-H671 PolarHBondContact O-N 3.23Å; Q668-H671 PolarHBondContact O-N 2.9Å; Y669-H671 VanDerWaalsContact C-N 3.3Å; Y669-H671 PolarHBondContact O-N 3.39Å
672	E	95.9	Very high	97.2	Very high	56 Å²	56	47 Å²	47	26%	0.262	21%	0.209	S	C	.	.	H	α-helix	trans	-74.3	-38.2	-179.7	-73.7	172.7	-135.3	0	0	113.2	N638 Q668 Y669 K838	N638-E672 PolarHBondContact ND2-OE2 2.84Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.48Å; Q668-E672 PolarHBondContact NE2-OE1 2.75Å; Q668-E672 PolarHBondContact O-N 2.57Å; Q668-E672 VanDerWaalsContact O-N 3.08Å; Y669-E672 PolarHBondContact O-N 2.86Å; E672-K838 WeakPolarHBondContact OE1-CD 3.46Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.38Å; E672-K838 IonicContact OE1-NZ 2.71Å; E672-K838 PolarHBondContact OE1-NZ 2.82Å; E672-K838 IonicContact OE2-NZ 2.87Å; E672-K838 PolarHBondContact OE2-NZ 3.08Å
673	H	95.4	Very high	97.3	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.116	21%	0.208	C	C	.	.	H	α-helix	trans	-106.5	-3.1	-171.3	-71.4	-76.8	0	0	0	115.2	M633 Y669 K675	M633-H673 VanDerWaalsContact C-NE2 3.32Å; M633-H673 PolarHBondContact O-CE1 3.47Å; M633-H673 PolarHBondContact O-NE2 3.4Å; Y669-H673 HydrophobicContact CD1-CB 4.13Å; Y669-H673 HydrophobicContact CE1-CB 3.97Å; Y669-H673 AromaticContact CE1-CD2 3.99Å; Y669-H673 WeakPolarHBondContact O-CB 3.26Å; Y669-H673 PolarHBondContact O-N 2.86Å; H673-K675 HydrophobicContact CB-CG 4.08Å; H673-K675 PolarHBondContact O-N 3.08Å
674	R	95.9	Very high	97.1	Very high	199 Å²	199	47 Å²	47	75%	0.751	21%	0.207	S	C	*	.	S	Bend	trans	56.9	8.1	-173.5	-51.8	-55	-175.5	174.5	-0.1	115.5	Q670	Q670-R674 WeakPolarHBondContact O-CA 3.44Å; Q670-R674 PolarHBondContact O-N 3.02Å
675	K	95.4	Very high	96.7	Very high	87 Å²	87	44 Å²	44	38%	0.378	19%	0.194	S	C	.	.	S	Bend	trans	-143.3	153.4	-178.7	71.8	-155.6	179.3	-158.5	0	109.7	Y669 Q670 H673	Y669-K675 VanDerWaalsContact CD1-O 3.27Å; Y669-K675 WeakPolarHBondContact CD1-O 3.39Å; Y669-K675 WeakPolarHBondContact CE1-O 3.32Å; Q670-K675 WeakPolarHBondContact CA-O 3.38Å; H673-K675 HydrophobicContact CB-CG 4.08Å; H673-K675 PolarHBondContact O-N 3.08Å
676	L	97.8	Very high	95.4	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.068	22%	0.222	C	C	.	.			trans	-76.1	156.8	168.3	-74.2	175.9	0	0	0	111.1	L666 Q670 S678 Y711 V714	L666-L676 HydrophobicContact CB-CD2 4.17Å; L666-L676 HydrophobicContact CD2-CD2 4.38Å; Q670-L676 HydrophobicContact CB-CD2 4.04Å; Q670-L676 HydrophobicContact CG-CD2 4.48Å; L676-S678 PolarHBondContact O-N 2.92Å; L676-Y711 HydrophobicContact CB-CD1 4.35Å; L676-Y711 HydrophobicContact CB-CE1 3.65Å; L676-Y711 HydrophobicContact CD1-CD1 3.84Å; L676-Y711 HydrophobicContact CD1-CD2 3.83Å; L676-Y711 HydrophobicContact CD1-CE1 3.84Å; L676-Y711 HydrophobicContact CD1-CE2 3.84Å; L676-Y711 HydrophobicContact CD1-CG 3.84Å; L676-Y711 HydrophobicContact CG-CE1 4.37Å; L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.44Å
677	P	97.6	Very high	94.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.			trans	-67.5	131.2	176.1	22.6	-26.9	0	0	0	111.2	G607 M609 L666 Y669 R679 I680 Y711	G607-P677 CarbonylContact O-C 3.51Å; G607-P677 WeakPolarHBondContact O-CB 3.37Å; M609-P677 HydrophobicContact CB-CB 3.68Å; M609-P677 HydrophobicContact CB-CG 3.81Å; M609-P677 HydrophobicContact CG-CG 4.41Å; M609-P677 HydrophobicContact SD-CG 3.75Å; L666-P677 HydrophobicContact CD2-CG 3.78Å; Y669-P677 HydrophobicContact CD1-CB 4.31Å; Y669-P677 HydrophobicContact CD1-CG 4.22Å; Y669-P677 HydrophobicContact CD2-CB 4.24Å; Y669-P677 HydrophobicContact CD2-CG 4.23Å; Y669-P677 HydrophobicContact CE1-CB 3.84Å; Y669-P677 HydrophobicContact CE1-CG 4.25Å; Y669-P677 HydrophobicContact CE2-CB 3.76Å; Y669-P677 HydrophobicContact CE2-CG 4.27Å; Y669-P677 HydrophobicContact CG-CB 4.49Å; Y669-P677 HydrophobicContact CG-CG 4.22Å; P677-R679 PolarHBondContact O-N 2.97Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.28Å; P677-Y711 WeakPolarHBondContact CD-OH 3.45Å; P677-Y711 WeakPolarHBondContact CG-OH 3.44Å; P677-Y711 PolarHBondContact O-OH 2.85Å
678	S	96.7	Very high	93	Very high	70 Å²	70	43.9 Å²	43.9	49%	0.49	22%	0.224	S	C	.	.	S	Bend	trans	-68.9	-23.3	174	-44.3	0	0	0	0	112.5	G607 L676 Q720	G607-S678 PolarHBondContact O-N 2.91Å; G607-S678 VanDerWaalsContact O-N 3.07Å; L676-S678 PolarHBondContact O-N 2.92Å; S678-Q720 PolarHBondContact O-N 2.96Å
679	R	97.4	Very high	91.6	Very high	73 Å²	73	45.4 Å²	45.4	28%	0.275	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.7	-172.4	-57.1	-176.5	176.6	101.3	2	111.4	S606 G607 L608 M609 P677 Q720 M783	S606-R679 PolarHBondContact O-NH1 3.29Å; G607-R679 PolarHBondContact O-N 3.32Å; L608-R679 HydrophobicContact CD1-CB 3.91Å; M609-R679 PolarHBondContact N-O 3.4Å; P677-R679 PolarHBondContact O-N 2.97Å; R679-Q720 CarbonylContact C-O 3.55Å; R679-Q720 WeakPolarHBondContact CA-O 3.43Å; R679-Q720 HydrophobicContact CG-CB 4.23Å; R679-M783 HydrophobicContact CB-CE 4.13Å; R679-M783 HydrophobicContact CB-SD 4.25Å; R679-M783 HydrophobicContact CG-CE 4.42Å
680	I	98.4	Very high	90.1	Very high	4 Å²	4	48 Å²	48	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.1	177.3	-55.7	-179.2	0	0	0	109.4	M609 I611 L666 P677 L707 P719 Q720 L721 A722	M609-I680 HydrophobicContact CB-CG1 4.45Å; M609-I680 WeakPolarHBondContact O-CA 3.19Å; M609-I680 HydrophobicContact SD-CD1 4.5Å; M609-I680 HydrophobicContact SD-CG1 4.48Å; I611-I680 HydrophobicContact CD1-CG2 3.72Å; I611-I680 HydrophobicContact CG1-CG2 4.23Å; L666-I680 HydrophobicContact CD2-CD1 4.06Å; P677-I680 HydrophobicContact CG-CD1 4.49Å; P677-I680 HydrophobicContact CG-CG1 4.28Å; I680-L707 HydrophobicContact CD1-CD1 4.2Å; I680-L707 HydrophobicContact CD1-CD2 3.76Å; I680-P719 HydrophobicContact CD1-CB 4.28Å; I680-P719 HydrophobicContact CD1-CG 3.74Å; I680-P719 HydrophobicContact CG1-CB 4.29Å; I680-P719 HydrophobicContact CG1-CG 4.24Å; I680-Q720 PolarHBondContact N-O 2.88Å; I680-L721 HydrophobicContact CB-CD1 3.98Å; I680-L721 HydrophobicContact CG2-CD1 3.87Å; I680-L721 CarbonylContact O-C 3.53Å; I680-L721 WeakPolarHBondContact O-CA 3.35Å; I680-A722 PolarHBondContact O-N 3.07Å
681	V	98.5	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	112	170.6	177.6	0	0	0	0	108.6	L608 M609 T610 I611 Y683 A722 I724 M783 L793	L608-V681 HydrophobicContact CD1-CB 4.39Å; L608-V681 HydrophobicContact CD1-CG2 3.87Å; M609-V681 PolarHBondContact O-N 2.8Å; T610-V681 CarbonylContact C-O 3.51Å; T610-V681 WeakPolarHBondContact CA-O 3.43Å; T610-V681 HydrophobicContact CG2-CB 4.44Å; I611-V681 PolarHBondContact N-O 3.32Å; V681-Y683 HydrophobicContact CG1-CD2 4.09Å; V681-Y683 HydrophobicContact CG1-CE1 4.43Å; V681-Y683 HydrophobicContact CG1-CE2 3.53Å; V681-A722 HydrophobicContact CG2-CB 4.48Å; V681-I724 HydrophobicContact CG1-CD1 3.98Å; V681-M783 HydrophobicContact CG2-CE 3.86Å; V681-M783 HydrophobicContact CG2-SD 4.28Å; V681-L793 HydrophobicContact CG2-CD2 4.07Å
682	F	98.2	Very high	88.4	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.1	-174.7	-169.3	-76.2	0	0	0	110.6	I611 F613 L629 L658 I662 R684 A722 Y723 I724	I611-F682 HydrophobicContact CB-CD2 3.75Å; I611-F682 HydrophobicContact CB-CE2 4.31Å; I611-F682 HydrophobicContact CB-CG 4.38Å; I611-F682 HydrophobicContact CD1-CD2 4.15Å; I611-F682 HydrophobicContact CG2-CD2 3.56Å; I611-F682 HydrophobicContact CG2-CE2 3.58Å; I611-F682 HydrophobicContact CG2-CG 4.46Å; I611-F682 HydrophobicContact CG2-CZ 4.49Å; F613-F682 HydrophobicContact CB-CE1 4.05Å; F613-F682 HydrophobicContact CB-CZ 3.66Å; F613-F682 HydrophobicContact CD1-CZ 4.31Å; F613-F682 HydrophobicContact CG-CZ 4.25Å; L629-F682 HydrophobicContact CD1-CE2 4.29Å; L658-F682 HydrophobicContact CD1-CE2 4.33Å; L658-F682 HydrophobicContact CD1-CZ 4.06Å; L658-F682 HydrophobicContact CD2-CZ 4.05Å; I662-F682 HydrophobicContact CD1-CE2 4.01Å; I662-F682 HydrophobicContact CG1-CE2 4.37Å; F682-R684 HydrophobicContact CD1-CB 4.46Å; F682-R684 HydrophobicContact CE1-CB 4.15Å; F682-A722 PolarHBondContact N-O 3.41Å; F682-Y723 HydrophobicContact CB-CD2 4.22Å; F682-Y723 AromaticContact CD1-CD2 3.62Å; F682-Y723 HydrophobicContact CD1-CD2 3.62Å; F682-Y723 AromaticContact CD1-CE2 3.41Å; F682-Y723 HydrophobicContact CD1-CE2 3.41Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.41Å; F682-Y723 HydrophobicContact CD1-CG 4.35Å; F682-Y723 AromaticContact CD1-CZ 3.97Å; F682-Y723 HydrophobicContact CE1-CD2 4.23Å; F682-Y723 AromaticContact CE1-CE2 3.54Å; F682-Y723 HydrophobicContact CE1-CE2 3.54Å; F682-Y723 AromaticContact CE1-CZ 3.94Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.18Å; F682-Y723 HydrophobicContact CZ-CE2 4.38Å; F682-I724 PolarHBondContact O-N 3.15Å
683	Y	98.1	Very high	87.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.8	177.7	-67.6	-77.4	0	0	0	112.1	T610 I611 G612 F613 V681 I724 V726 Y776 T794 M797 P811 V813 C814	T610-Y683 HydrophobicContact CG2-CD2 3.77Å; T610-Y683 HydrophobicContact CG2-CE2 3.63Å; I611-Y683 PolarHBondContact O-N 3.39Å; G612-Y683 WeakPolarHBondContact CA-O 3.37Å; F613-Y683 PolarHBondContact N-O 2.92Å; V681-Y683 HydrophobicContact CG1-CD2 4.09Å; V681-Y683 HydrophobicContact CG1-CE1 4.43Å; V681-Y683 HydrophobicContact CG1-CE2 3.53Å; Y683-I724 WeakPolarHBondContact CA-O 3.47Å; Y683-I724 HydrophobicContact CD1-CB 3.91Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.11Å; Y683-I724 HydrophobicContact CE1-CB 4.19Å; Y683-I724 HydrophobicContact CE1-CD1 3.68Å; Y683-I724 HydrophobicContact CE1-CG1 4.47Å; Y683-I724 HydrophobicContact CE1-CG2 4.2Å; Y683-V726 HydrophobicContact CD1-CG2 3.71Å; Y683-V726 HydrophobicContact CG-CG2 4.27Å; Y683-Y776 HydrophobicContact CD1-CD1 4.46Å; Y683-Y776 HydrophobicContact CE1-CD1 4.26Å; Y683-Y776 HydrophobicContact CE1-CE1 4.36Å; Y683-T794 HydrophobicContact CE1-CG2 3.95Å; Y683-T794 VanDerWaalsContact OH-CA 3.28Å; Y683-T794 WeakPolarHBondContact OH-CA 3.41Å; Y683-T794 WeakPolarHBondContact OH-CB 3.35Å; Y683-T794 PolarHBondContact OH-OG1 3.33Å; Y683-M797 HydrophobicContact CE2-CG 4.44Å; Y683-P811 HydrophobicContact CD1-CG 3.88Å; Y683-P811 HydrophobicContact CD2-CB 4.1Å; Y683-P811 HydrophobicContact CD2-CG 4.16Å; Y683-P811 HydrophobicContact CE1-CG 3.9Å; Y683-P811 HydrophobicContact CE2-CB 4.19Å; Y683-P811 HydrophobicContact CE2-CG 4.18Å; Y683-P811 HydrophobicContact CG-CB 4.34Å; Y683-P811 HydrophobicContact CG-CG 4Å; Y683-V813 HydrophobicContact CD2-CG2 4.05Å; Y683-C814 WeakPolarHBondContact CB-SG 3.36Å
684	R	94.1	Very high	87.2	Confident	7 Å²	7	46.4 Å²	46.4	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	105.1	-177.6	-175.5	73.1	164	91.1	-8.4	111.2	F682 V687 L695 E699 Y723 I724 V725 V726	F682-R684 HydrophobicContact CD1-CB 4.46Å; F682-R684 HydrophobicContact CE1-CB 4.15Å; R684-V687 HydrophobicContact CG-CG2 3.55Å; R684-L695 HydrophobicContact CG-CD2 4.37Å; R684-E699 IonicContact CZ-OE1 2.83Å; R684-E699 VanDerWaalsContact CZ-OE1 3.3Å; R684-E699 IonicContact CZ-OE2 3.61Å; R684-E699 IonicContact NE-OE1 2.74Å; R684-E699 PolarHBondContact NE-OE1 3.4Å; R684-E699 IonicContact NE-OE2 3.89Å; R684-E699 PolarHBondContact NE-OE2 2.78Å; R684-E699 IonicContact NH2-OE1 3.21Å; R684-E699 PolarHBondContact NH2-OE1 3.33Å; R684-Y723 HydrophobicContact CB-CE1 4Å; R684-Y723 WeakPolarHBondContact CD-OH 3.12Å; R684-Y723 HydrophobicContact CG-CE1 4.45Å; R684-Y723 VanDerWaalsContact CG-OH 3.29Å; R684-Y723 WeakPolarHBondContact CG-OH 3.43Å; R684-I724 PolarHBondContact N-O 2.87Å; R684-V725 HydrophobicContact CB-CG2 4.36Å; R684-V726 PolarHBondContact O-N 2.82Å
685	D	87.1	Confident	86.7	Confident	5 Å²	5	37 Å²	37	3%	0.027	23%	0.227	C	C	.	.			trans	-84.1	168.4	170.6	-158.5	-20.1	0	0	0	110	F613 D614 V687 R728 C814	F613-D685 PolarHBondContact O-N 3.36Å; D614-D685 HydrophobicContact CB-CB 4.23Å; D685-V687 PolarHBondContact O-N 3.22Å; D685-R728 IonicContact OD1-NE 3.3Å; D685-R728 PolarHBondContact OD1-NE 3.38Å; D685-R728 IonicContact OD2-CZ 2.79Å; D685-R728 IonicContact OD2-NE 3Å; D685-R728 PolarHBondContact OD2-NE 3.32Å; D685-R728 IonicContact OD2-NH2 3.38Å; D685-R728 PolarHBondContact OD2-NH2 3.49Å; D685-C814 HydrophobicContact CB-CB 4.33Å
686	G	72.3	Confident	86.3	Confident	57 Å²	57	34.8 Å²	34.8	59%	0.588	22%	0.218	S	C	*	.	S	Bend	trans	81.3	-2.5	167	0	0	0	0	0	117.7
687	V	77.1	Confident	85.7	Confident	17 Å²	17	38 Å²	38	10%	0.103	23%	0.232	C	C	.	.			trans	-83.6	139.1	-176.9	-179.8	0	0	0	0	112.4	R684 D685 L692 L695 V725	R684-V687 HydrophobicContact CG-CG2 3.55Å; D685-V687 PolarHBondContact O-N 3.22Å; V687-L692 HydrophobicContact CG1-CD2 4.16Å; V687-L695 HydrophobicContact CG1-CD1 4.28Å; V687-L695 HydrophobicContact CG1-CD2 4.2Å; V687-L695 HydrophobicContact CG2-CD1 3.71Å; V687-L695 HydrophobicContact CG2-CD2 4.12Å; V687-V725 HydrophobicContact CB-CG1 4.15Å
688	S	68.9	Low	85.1	Confident	68 Å²	68	44.3 Å²	44.3	48%	0.476	26%	0.26	S	S	.	.			trans	-83	147	173.9	102.2	0	0	0	0	111.8	G690 S691	S688-G690 PolarHBondContact O-N 2.71Å; S688-G690 PolarHBondContact OG-N 3.12Å; S688-S691 PolarHBondContact O-N 2.95Å; S688-S691 PolarHBondContact OG-OG 3.34Å
689	S	67.2	Low	84.8	Confident	83 Å²	83	41.4 Å²	41.4	58%	0.58	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-62.7	-23.5	-179.9	54.3	0	0	0	0	114.2	S691	S689-S691 VanDerWaalsContact C-N 3.3Å
690	G	67.1	Low	84.5	Confident	54 Å²	54	38 Å²	38	56%	0.557	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-81.1	-4.2	174.3	0	0	0	0	0	114.5	S688	S688-G690 PolarHBondContact O-N 2.71Å; S688-G690 PolarHBondContact OG-N 3.12Å
691	S	75.3	Confident	84.2	Confident	37 Å²	37	42.1 Å²	42.1	26%	0.259	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-107.1	-1.5	-178.1	-49.4	0	0	0	0	113.1	S688 S689 K693 Q694 L695	S688-S691 PolarHBondContact O-N 2.95Å; S688-S691 PolarHBondContact OG-OG 3.34Å; S689-S691 VanDerWaalsContact C-N 3.3Å; S691-K693 PolarHBondContact O-N 2.85Å; S691-Q694 PolarHBondContact O-N 2.79Å; S691-L695 WeakPolarHBondContact O-CB 3.36Å; S691-L695 PolarHBondContact O-N 3.46Å
692	L	82.3	Confident	83.9	Confident	11 Å²	11	44.2 Å²	44.2	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-39.4	-169.6	-69.4	173.6	0	0	0	113.9	V687 L695 F696 V725 L779	V687-L692 HydrophobicContact CG1-CD2 4.16Å; L692-L695 WeakPolarHBondContact O-CB 3.21Å; L692-L695 PolarHBondContact O-N 2.83Å; L692-F696 WeakPolarHBondContact O-CB 3.38Å; L692-F696 PolarHBondContact O-N 3.18Å; L692-V725 HydrophobicContact CD2-CB 4.39Å; L692-V725 HydrophobicContact CD2-CG1 4.17Å; L692-V725 HydrophobicContact CD2-CG2 4.04Å; L692-L779 HydrophobicContact CD2-CD2 4.43Å
693	K	83.3	Confident	83.8	Confident	87 Å²	87	44.3 Å²	44.3	38%	0.378	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-45.7	177.1	-176.1	179.6	174.1	178.2	0	111.8	D77 S691 L695 F696 E697	D77-K693 HydrophobicContact CB-CB 4.17Å; D77-K693 HydrophobicContact CB-CD 3.83Å; D77-K693 WeakPolarHBondContact OD1-CD 2.92Å; D77-K693 WeakPolarHBondContact OD1-CE 3.23Å; D77-K693 IonicContact OD1-NZ 2.77Å; D77-K693 PolarHBondContact OD1-NZ 3.32Å; S691-K693 PolarHBondContact O-N 2.85Å; K693-L695 VanDerWaalsContact C-N 3.35Å; K693-L695 PolarHBondContact O-N 3.02Å; K693-F696 PolarHBondContact O-N 2.86Å; K693-E697 WeakPolarHBondContact O-CG 3.33Å; K693-E697 PolarHBondContact O-N 3.04Å
694	Q	82.5	Confident	83.6	Confident	100 Å²	100	45.7 Å²	45.7	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-41.2	175.3	-65.4	175.2	-25.9	0	0	111.4	L654 S691 F696 E697 F698	L654-Q694 HydrophobicContact CD1-CB 3.7Å; S691-Q694 PolarHBondContact O-N 2.79Å; Q694-F696 VanDerWaalsContact C-N 3.34Å; Q694-F696 PolarHBondContact O-N 2.97Å; Q694-E697 PolarHBondContact O-N 3.49Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.47Å; Q694-F698 VanDerWaalsContact O-CD2 3.25Å; Q694-F698 WeakPolarHBondContact O-CD2 3.45Å; Q694-F698 PolarHBondContact O-N 3Å
695	L	85.8	Confident	83.7	Confident	1 Å²	1	50 Å²	50	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-60.2	-42.1	174.6	-165.9	91.6	0	0	0	112.1	L654 R684 V687 S691 L692 K693 E699 V700 Y723 V725 L779	L654-L695 HydrophobicContact CD2-CD1 3.79Å; R684-L695 HydrophobicContact CG-CD2 4.37Å; V687-L695 HydrophobicContact CG1-CD1 4.28Å; V687-L695 HydrophobicContact CG1-CD2 4.2Å; V687-L695 HydrophobicContact CG2-CD1 3.71Å; V687-L695 HydrophobicContact CG2-CD2 4.12Å; S691-L695 WeakPolarHBondContact O-CB 3.36Å; S691-L695 PolarHBondContact O-N 3.46Å; L692-L695 WeakPolarHBondContact O-CB 3.21Å; L692-L695 PolarHBondContact O-N 2.83Å; K693-L695 VanDerWaalsContact C-N 3.35Å; K693-L695 PolarHBondContact O-N 3.02Å; L695-E699 VanDerWaalsContact CD1-CD 3.44Å; L695-E699 HydrophobicContact CD1-CG 4.14Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.44Å; L695-E699 HydrophobicContact CG-CB 4.47Å; L695-E699 HydrophobicContact CG-CG 4.47Å; L695-E699 WeakPolarHBondContact O-CA 3.5Å; L695-E699 WeakPolarHBondContact O-CB 3.11Å; L695-E699 PolarHBondContact O-N 2.86Å; L695-V700 PolarHBondContact O-N 3.41Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.47Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; L695-L779 HydrophobicContact CD2-CD1 3.73Å
696	F	86.9	Confident	84.2	Confident	42 Å²	42	51.8 Å²	51.8	18%	0.184	29%	0.29	C	S	.	.	I	π-helix	trans	-66.7	-47.3	178	-176.1	-97.8	0	0	0	112.2	L79 L692 K693 Q694 V700 K701 L779	L79-F696 HydrophobicContact CD1-CB 4.36Å; L79-F696 HydrophobicContact CD1-CD1 3.96Å; L79-F696 HydrophobicContact CD1-CE1 4.48Å; L79-F696 HydrophobicContact CD1-CG 4.15Å; L79-F696 HydrophobicContact CD2-CB 3.6Å; L79-F696 HydrophobicContact CD2-CD2 4.25Å; L79-F696 HydrophobicContact CD2-CG 3.9Å; L692-F696 WeakPolarHBondContact O-CB 3.38Å; L692-F696 PolarHBondContact O-N 3.18Å; K693-F696 PolarHBondContact O-N 2.86Å; Q694-F696 VanDerWaalsContact C-N 3.34Å; Q694-F696 PolarHBondContact O-N 2.97Å; F696-V700 HydrophobicContact CD2-CB 3.99Å; F696-V700 HydrophobicContact CD2-CG1 4.11Å; F696-V700 HydrophobicContact CD2-CG2 4.14Å; F696-V700 HydrophobicContact CE2-CB 4.45Å; F696-V700 HydrophobicContact CE2-CG1 4.12Å; F696-V700 WeakPolarHBondContact O-CB 3.41Å; F696-V700 PolarHBondContact O-N 3.48Å; F696-K701 PolarHBondContact O-N 3.34Å; F696-L779 HydrophobicContact CD2-CB 4.2Å; F696-L779 WeakPolarHBondContact CE2-O 3.4Å
697	E	85.4	Confident	85.4	Confident	81 Å²	81	49.3 Å²	49.3	38%	0.379	26%	0.263	S	S	.	.	I	π-helix	trans	-65.3	-40.8	179.1	-67.7	-61.2	131.2	0	0	112.9	K693 Q694 K701	K693-E697 WeakPolarHBondContact O-CG 3.33Å; K693-E697 PolarHBondContact O-N 3.04Å; Q694-E697 PolarHBondContact O-N 3.49Å; E697-K701 VanDerWaalsContact OE1-CE 3.24Å; E697-K701 WeakPolarHBondContact OE1-CE 3.35Å; E697-K701 IonicContact OE1-NZ 3.73Å; E697-K701 PolarHBondContact OE1-NZ 3.32Å; E697-K701 WeakPolarHBondContact OE2-CE 3.38Å; E697-K701 IonicContact OE2-NZ 2.69Å; E697-K701 PolarHBondContact OE2-NZ 3.04Å
698	F	85.3	Confident	86.3	Confident	132 Å²	132	52.7 Å²	52.7	58%	0.579	28%	0.277	S	S	*	.	I	π-helix	trans	-100.8	-33.1	-172.7	-64.5	-63.6	0	0	0	115.8	L654 Q694 D702	L654-F698 HydrophobicContact CD1-CD2 4.32Å; Q694-F698 HydrophobicContact CB-CD2 4.27Å; Q694-F698 WeakPolarHBondContact O-CB 3.47Å; Q694-F698 VanDerWaalsContact O-CD2 3.25Å; Q694-F698 WeakPolarHBondContact O-CD2 3.45Å; Q694-F698 PolarHBondContact O-N 3Å; F698-D702 VanDerWaalsContact O-CB 3.26Å; F698-D702 WeakPolarHBondContact O-CB 3.4Å
699	E	89.8	Confident	87.6	Confident	9 Å²	9	52.9 Å²	52.9	4%	0.042	28%	0.275	C	S	.	.	I	π-helix	trans	-93	-50.3	173.7	-66.9	-171.8	-158	0	0	111.7	L654 L658 R684 L695 I703 Y723	L654-E699 HydrophobicContact CD2-CG 4.37Å; L658-E699 HydrophobicContact CD2-CB 4.48Å; L658-E699 HydrophobicContact CD2-CG 4.13Å; L658-E699 WeakPolarHBondContact CD2-OE2 3.26Å; R684-E699 IonicContact CZ-OE1 2.83Å; R684-E699 VanDerWaalsContact CZ-OE1 3.3Å; R684-E699 IonicContact CZ-OE2 3.61Å; R684-E699 IonicContact NE-OE1 2.74Å; R684-E699 PolarHBondContact NE-OE1 3.4Å; R684-E699 IonicContact NE-OE2 3.89Å; R684-E699 PolarHBondContact NE-OE2 2.78Å; R684-E699 IonicContact NH2-OE1 3.21Å; R684-E699 PolarHBondContact NH2-OE1 3.33Å; L695-E699 VanDerWaalsContact CD1-CD 3.44Å; L695-E699 HydrophobicContact CD1-CG 4.14Å; L695-E699 WeakPolarHBondContact CD1-OE1 3.44Å; L695-E699 HydrophobicContact CG-CB 4.47Å; L695-E699 HydrophobicContact CG-CG 4.47Å; L695-E699 WeakPolarHBondContact O-CA 3.5Å; L695-E699 WeakPolarHBondContact O-CB 3.11Å; L695-E699 PolarHBondContact O-N 2.86Å; E699-I703 WeakPolarHBondContact O-CB 3.26Å; E699-I703 WeakPolarHBondContact O-CD1 3.02Å; E699-I703 WeakPolarHBondContact O-CG1 3.31Å; E699-I703 PolarHBondContact O-N 3.08Å; E699-Y723 PolarHBondContact OE2-OH 3.04Å
700	V	91.7	Very high	89	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-72.1	-47	-167	-176	0	0	0	0	112.3	L695 F696 I703 I704 Y723 L779 Y780	L695-V700 PolarHBondContact O-N 3.41Å; F696-V700 HydrophobicContact CD2-CB 3.99Å; F696-V700 HydrophobicContact CD2-CG1 4.11Å; F696-V700 HydrophobicContact CD2-CG2 4.14Å; F696-V700 HydrophobicContact CE2-CB 4.45Å; F696-V700 HydrophobicContact CE2-CG1 4.12Å; F696-V700 WeakPolarHBondContact O-CB 3.41Å; F696-V700 PolarHBondContact O-N 3.48Å; V700-I703 PolarHBondContact O-N 2.98Å; V700-I704 HydrophobicContact CG1-CD1 4.01Å; V700-I704 WeakPolarHBondContact O-CG1 3.34Å; V700-I704 PolarHBondContact O-N 2.89Å; V700-I704 VanDerWaalsContact O-N 3.11Å; V700-Y723 HydrophobicContact CG2-CD1 3.77Å; V700-Y723 HydrophobicContact CG2-CD2 3.91Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.03Å; V700-Y723 HydrophobicContact CG2-CG 3.78Å; V700-L779 HydrophobicContact CG2-CD1 4.24Å; V700-Y780 HydrophobicContact CG1-CG 4.34Å
701	K	91.9	Very high	90.5	Very high	91 Å²	91	48 Å²	48	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-43.7	176.7	-66.4	-175.9	-177.6	176.9	0	112.3	F696 E697 I703 I704 E705	F696-K701 PolarHBondContact O-N 3.34Å; E697-K701 VanDerWaalsContact OE1-CE 3.24Å; E697-K701 WeakPolarHBondContact OE1-CE 3.35Å; E697-K701 IonicContact OE1-NZ 3.73Å; E697-K701 PolarHBondContact OE1-NZ 3.32Å; E697-K701 WeakPolarHBondContact OE2-CE 3.38Å; E697-K701 IonicContact OE2-NZ 2.69Å; E697-K701 PolarHBondContact OE2-NZ 3.04Å; K701-I703 PolarHBondContact O-N 3.23Å; K701-I704 PolarHBondContact O-N 2.9Å; K701-I704 VanDerWaalsContact O-N 3.16Å; K701-E705 PolarHBondContact O-N 3.21Å; K701-E705 VanDerWaalsContact O-N 3.07Å
702	D	92.4	Very high	91.5	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-44.9	178.1	-176.9	83.4	0	0	0	112.2	F698 I704 K706	F698-D702 VanDerWaalsContact O-CB 3.26Å; F698-D702 WeakPolarHBondContact O-CB 3.4Å; D702-I704 PolarHBondContact O-N 2.94Å; D702-K706 WeakPolarHBondContact O-CB 3.2Å; D702-K706 VanDerWaalsContact O-CG 3.31Å; D702-K706 WeakPolarHBondContact O-CG 3.35Å; D702-K706 PolarHBondContact O-N 2.83Å; D702-K706 VanDerWaalsContact O-N 3.08Å; D702-K706 WeakPolarHBondContact OD1-CE 3.49Å; D702-K706 IonicContact OD1-NZ 2.68Å; D702-K706 PolarHBondContact OD1-NZ 3.01Å; D702-K706 WeakPolarHBondContact OD2-CE 3.43Å; D702-K706 IonicContact OD2-NZ 2.7Å; D702-K706 PolarHBondContact OD2-NZ 3.17Å
703	I	94.7	Very high	92.1	Very high	4 Å²	4	56 Å²	56	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-42.3	174.6	-71.8	167.6	0	0	0	111.2	L658 I662 E699 V700 K701 L707 L721 Y723	L658-I703 HydrophobicContact CD2-CD1 3.98Å; I662-I703 HydrophobicContact CD1-CD1 3.77Å; I662-I703 HydrophobicContact CD1-CG1 3.76Å; E699-I703 WeakPolarHBondContact O-CB 3.26Å; E699-I703 WeakPolarHBondContact O-CD1 3.02Å; E699-I703 WeakPolarHBondContact O-CG1 3.31Å; E699-I703 PolarHBondContact O-N 3.08Å; V700-I703 PolarHBondContact O-N 2.98Å; K701-I703 PolarHBondContact O-N 3.23Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.18Å; I703-L707 VanDerWaalsContact O-CB 3.23Å; I703-L707 WeakPolarHBondContact O-CB 3.29Å; I703-L707 WeakPolarHBondContact O-CG 3.23Å; I703-L707 PolarHBondContact O-N 3.09Å; I703-L721 HydrophobicContact CG2-CD2 4.08Å; I703-Y723 HydrophobicContact CD1-CD2 4.28Å; I703-Y723 HydrophobicContact CD1-CE2 3.98Å
704	I	95.8	Very high	92.7	Very high	28 Å²	28	54.5 Å²	54.5	14%	0.144	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-51.6	-179.3	-71.2	164.7	0	0	0	111.2	V700 K701 D702 K706 L707 K708 L721 Y780	V700-I704 HydrophobicContact CG1-CD1 4.01Å; V700-I704 WeakPolarHBondContact O-CG1 3.34Å; V700-I704 PolarHBondContact O-N 2.89Å; V700-I704 VanDerWaalsContact O-N 3.11Å; K701-I704 PolarHBondContact O-N 2.9Å; K701-I704 VanDerWaalsContact O-N 3.16Å; D702-I704 PolarHBondContact O-N 2.94Å; I704-K706 PolarHBondContact O-N 3.16Å; I704-L707 PolarHBondContact O-N 2.73Å; I704-K708 WeakPolarHBondContact O-CG 3.43Å; I704-K708 PolarHBondContact O-N 3.29Å; I704-L721 HydrophobicContact CG1-CD2 3.9Å; I704-Y780 HydrophobicContact CD1-CD1 4.09Å; I704-Y780 HydrophobicContact CD1-CD2 3.82Å; I704-Y780 HydrophobicContact CD1-CE1 3.99Å; I704-Y780 HydrophobicContact CD1-CE2 3.71Å; I704-Y780 HydrophobicContact CD1-CG 4.01Å; I704-Y780 HydrophobicContact CG1-CE1 4.37Å
705	E	95.7	Very high	93.3	Very high	97 Å²	97	58.7 Å²	58.7	45%	0.453	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-35.7	-177.8	-59.7	-47.7	128.7	0	0	112.7	K701 K708 T709	K701-E705 PolarHBondContact O-N 3.21Å; K701-E705 VanDerWaalsContact O-N 3.07Å; E705-K708 PolarHBondContact O-N 2.84Å; E705-K708 WeakPolarHBondContact OE1-CE 3.08Å; E705-K708 IonicContact OE1-NZ 3.56Å; E705-K708 PolarHBondContact OE1-NZ 3.44Å; E705-K708 WeakPolarHBondContact OE2-CD 3.45Å; E705-K708 WeakPolarHBondContact OE2-CE 3.35Å; E705-K708 IonicContact OE2-NZ 2.67Å; E705-K708 PolarHBondContact OE2-NZ 3.49Å; E705-T709 PolarHBondContact O-N 3.33Å; E705-T709 VanDerWaalsContact O-N 3.07Å; E705-T709 PolarHBondContact O-OG1 2.9Å
706	K	96.1	Very high	93.8	Very high	43 Å²	43	62.9 Å²	62.9	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-75.7	-29.1	176.4	-65.4	-179.6	-173.1	154.9	0	112.8	N656 W659 D702 I704 T709 E710	N656-K706 PolarHBondContact OD1-NZ 2.79Å; W659-K706 HydrophobicContact CB-CD 3.98Å; W659-K706 HydrophobicContact CD2-CB 3.65Å; W659-K706 HydrophobicContact CD2-CD 3.4Å; W659-K706 HydrophobicContact CD2-CG 4.18Å; W659-K706 HydrophobicContact CE3-CB 3.58Å; W659-K706 HydrophobicContact CE3-CD 3.94Å; W659-K706 HydrophobicContact CE3-CG 4.44Å; W659-K706 HydrophobicContact CG-CB 4.48Å; W659-K706 HydrophobicContact CG-CD 3.33Å; W659-K706 HydrophobicContact CH2-CB 3.58Å; W659-K706 WeakPolarHBondContact CH2-O 3.24Å; W659-K706 HydrophobicContact CZ2-CB 3.64Å; W659-K706 HydrophobicContact CZ3-CB 3.54Å; D702-K706 WeakPolarHBondContact O-CB 3.2Å; D702-K706 VanDerWaalsContact O-CG 3.31Å; D702-K706 WeakPolarHBondContact O-CG 3.35Å; D702-K706 PolarHBondContact O-N 2.83Å; D702-K706 VanDerWaalsContact O-N 3.08Å; D702-K706 WeakPolarHBondContact OD1-CE 3.49Å; D702-K706 IonicContact OD1-NZ 2.68Å; D702-K706 PolarHBondContact OD1-NZ 3.01Å; D702-K706 WeakPolarHBondContact OD2-CE 3.43Å; D702-K706 IonicContact OD2-NZ 2.7Å; D702-K706 PolarHBondContact OD2-NZ 3.17Å; I704-K706 PolarHBondContact O-N 3.16Å; K706-T709 WeakPolarHBondContact O-CB 3.44Å; K706-T709 PolarHBondContact O-N 3.17Å; K706-E710 PolarHBondContact O-N 2.93Å
707	L	97.4	Very high	94.2	Very high	5 Å²	5	65.4 Å²	65.4	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-45	168.6	-79	172.8	0	0	0	111.6	W659 L666 I680 I703 I704 T709 E710 Y711 P719 L721	W659-L707 HydrophobicContact CH2-CD2 4.45Å; W659-L707 HydrophobicContact CZ3-CD2 4.4Å; W659-L707 HydrophobicContact CZ3-CG 4.27Å; L666-L707 HydrophobicContact CD1-CD2 3.76Å; I680-L707 HydrophobicContact CD1-CD1 4.2Å; I680-L707 HydrophobicContact CD1-CD2 3.76Å; I703-L707 HydrophobicContact CG2-CD1 3.65Å; I703-L707 HydrophobicContact CG2-CG 4.18Å; I703-L707 VanDerWaalsContact O-CB 3.23Å; I703-L707 WeakPolarHBondContact O-CB 3.29Å; I703-L707 WeakPolarHBondContact O-CG 3.23Å; I703-L707 PolarHBondContact O-N 3.09Å; I704-L707 PolarHBondContact O-N 2.73Å; L707-T709 PolarHBondContact O-N 2.77Å; L707-E710 PolarHBondContact O-N 3.18Å; L707-Y711 HydrophobicContact CD2-CD2 4.46Å; L707-Y711 HydrophobicContact CD2-CE2 3.88Å; L707-Y711 WeakPolarHBondContact O-CD2 3.44Å; L707-Y711 PolarHBondContact O-N 3.08Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; L707-P719 HydrophobicContact CD1-CG 4.19Å; L707-P719 HydrophobicContact CD2-CG 4.16Å; L707-L721 HydrophobicContact CD1-CD1 4.44Å; L707-L721 HydrophobicContact CD1-CD2 4.05Å
708	K	97.1	Very high	94.7	Very high	89 Å²	89	64.9 Å²	64.9	39%	0.387	33%	0.331	S	S	.	.	H	α-helix	trans	-53.2	-43.8	170.4	-64.3	175.1	-163.5	167.1	0	110.8	I704 E705 Y711 A712 P718	I704-K708 WeakPolarHBondContact O-CG 3.43Å; I704-K708 PolarHBondContact O-N 3.29Å; E705-K708 PolarHBondContact O-N 2.84Å; E705-K708 WeakPolarHBondContact OE1-CE 3.08Å; E705-K708 IonicContact OE1-NZ 3.56Å; E705-K708 PolarHBondContact OE1-NZ 3.44Å; E705-K708 WeakPolarHBondContact OE2-CD 3.45Å; E705-K708 WeakPolarHBondContact OE2-CE 3.35Å; E705-K708 IonicContact OE2-NZ 2.67Å; E705-K708 PolarHBondContact OE2-NZ 3.49Å; K708-Y711 PolarHBondContact O-N 3.06Å; K708-A712 WeakPolarHBondContact O-CB 3.17Å; K708-A712 PolarHBondContact O-N 2.84Å; K708-P718 HydrophobicContact CG-CB 4.03Å; K708-P718 HydrophobicContact CG-CG 4.16Å
709	T	97	Very high	95.3	Very high	72 Å²	72	59.2 Å²	59.2	44%	0.442	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-47.2	-177.7	-55.5	0	0	0	0	113.3	E705 K706 L707 R713	E705-T709 PolarHBondContact O-N 3.33Å; E705-T709 VanDerWaalsContact O-N 3.07Å; E705-T709 PolarHBondContact O-OG1 2.9Å; K706-T709 WeakPolarHBondContact O-CB 3.44Å; K706-T709 PolarHBondContact O-N 3.17Å; L707-T709 PolarHBondContact O-N 2.77Å; T709-R713 WeakPolarHBondContact O-CG 3.16Å; T709-R713 PolarHBondContact O-N 3.15Å
710	E	96.2	Very high	95.6	Very high	28 Å²	28	61.6 Å²	61.6	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-69.6	-32.6	178	-66.4	-71.4	176.7	0	0	112.8	W659 R667 K706 L707 R713	W659-E710 HydrophobicContact CH2-CG 3.74Å; W659-E710 HydrophobicContact CZ2-CG 3.41Å; W659-E710 VanDerWaalsContact CZ2-CG 3.41Å; R667-E710 IonicContact NH2-OE1 2.8Å; K706-E710 PolarHBondContact O-N 2.93Å; L707-E710 PolarHBondContact O-N 3.18Å; E710-R713 WeakPolarHBondContact O-CB 3.44Å; E710-R713 PolarHBondContact O-N 2.89Å; E710-R713 IonicContact OE1-CZ 2.85Å; E710-R713 IonicContact OE1-NH1 3.86Å; E710-R713 PolarHBondContact OE1-NH1 3.34Å; E710-R713 IonicContact OE2-CZ 2.77Å; E710-R713 IonicContact OE2-NE 3.45Å; E710-R713 IonicContact OE2-NH1 3.35Å; E710-R713 PolarHBondContact OE2-NH1 2.73Å
711	Y	97.4	Very high	95.9	Very high	5 Å²	5	61.8 Å²	61.8	2%	0.02	32%	0.32	C	S	.	.	H	α-helix	trans	-76.6	-36	179	-77.2	-116.7	0	0	0	111	L666 L676 P677 L707 K708 R713 V714 Q715 L716 S717 P719	L666-Y711 HydrophobicContact CD1-CE2 4.41Å; L666-Y711 HydrophobicContact CD2-CE2 4.28Å; L676-Y711 HydrophobicContact CB-CD1 4.35Å; L676-Y711 HydrophobicContact CB-CE1 3.65Å; L676-Y711 HydrophobicContact CD1-CD1 3.84Å; L676-Y711 HydrophobicContact CD1-CD2 3.83Å; L676-Y711 HydrophobicContact CD1-CE1 3.84Å; L676-Y711 HydrophobicContact CD1-CE2 3.84Å; L676-Y711 HydrophobicContact CD1-CG 3.84Å; L676-Y711 HydrophobicContact CG-CE1 4.37Å; P677-Y711 WeakPolarHBondContact CD-OH 3.45Å; P677-Y711 WeakPolarHBondContact CG-OH 3.44Å; P677-Y711 PolarHBondContact O-OH 2.85Å; L707-Y711 HydrophobicContact CD2-CD2 4.46Å; L707-Y711 HydrophobicContact CD2-CE2 3.88Å; L707-Y711 WeakPolarHBondContact O-CD2 3.44Å; L707-Y711 PolarHBondContact O-N 3.08Å; L707-Y711 VanDerWaalsContact O-N 3.09Å; K708-Y711 PolarHBondContact O-N 3.06Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.91Å; Y711-V714 CarbonylContact O-C 3.38Å; Y711-V714 VanDerWaalsContact O-CG2 3.23Å; Y711-V714 WeakPolarHBondContact O-CG2 3.4Å; Y711-V714 PolarHBondContact O-N 2.63Å; Y711-Q715 PolarHBondContact O-N 3.46Å; Y711-Q715 VanDerWaalsContact O-N 3.17Å; Y711-L716 CarbonylContact C-O 3.58Å; Y711-L716 VanDerWaalsContact C-O 3.29Å; Y711-L716 HydrophobicContact CD1-CB 4.21Å; Y711-L716 PolarHBondContact O-N 2.84Å; Y711-S717 VanDerWaalsContact CD1-O 3.3Å; Y711-S717 WeakPolarHBondContact CD1-O 3.33Å; Y711-P719 HydrophobicContact CD1-CG 4.5Å; Y711-P719 HydrophobicContact CD2-CG 4.4Å; Y711-P719 HydrophobicContact CE1-CB 3.75Å; Y711-P719 HydrophobicContact CE1-CG 3.91Å; Y711-P719 HydrophobicContact CE2-CB 4.49Å; Y711-P719 HydrophobicContact CE2-CG 3.79Å
712	A	97.1	Very high	96.1	Very high	62 Å²	62	57.5 Å²	57.5	51%	0.512	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-33.4	171	0	0	0	0	0	113.1	K708 V714 Q715	K708-A712 WeakPolarHBondContact O-CB 3.17Å; K708-A712 PolarHBondContact O-N 2.84Å; A712-V714 PolarHBondContact O-N 3.43Å; A712-Q715 PolarHBondContact O-N 3.36Å
713	R	95.1	Very high	96.3	Very high	156 Å²	156	55.4 Å²	55.4	59%	0.589	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.3	173	-73.9	174.8	-177.3	160.5	3.6	113.9	T709 E710 Y711	T709-R713 WeakPolarHBondContact O-CG 3.16Å; T709-R713 PolarHBondContact O-N 3.15Å; E710-R713 WeakPolarHBondContact O-CB 3.44Å; E710-R713 PolarHBondContact O-N 2.89Å; E710-R713 IonicContact OE1-CZ 2.85Å; E710-R713 IonicContact OE1-NH1 3.86Å; E710-R713 PolarHBondContact OE1-NH1 3.34Å; E710-R713 IonicContact OE2-CZ 2.77Å; E710-R713 IonicContact OE2-NE 3.45Å; E710-R713 IonicContact OE2-NH1 3.35Å; E710-R713 PolarHBondContact OE2-NH1 2.73Å; Y711-R713 VanDerWaalsContact C-N 3.29Å; Y711-R713 PolarHBondContact O-N 2.91Å
714	V	95	Very high	96.4	Very high	54 Å²	54	55.2 Å²	55.2	33%	0.327	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	19.7	174.1	-59.6	0	0	0	0	112.2	L676 Y711 A712 L716	L676-V714 HydrophobicContact CD1-CG2 3.52Å; L676-V714 HydrophobicContact CG-CG2 4.44Å; Y711-V714 CarbonylContact O-C 3.38Å; Y711-V714 VanDerWaalsContact O-CG2 3.23Å; Y711-V714 WeakPolarHBondContact O-CG2 3.4Å; Y711-V714 PolarHBondContact O-N 2.63Å; A712-V714 PolarHBondContact O-N 3.43Å; V714-L716 HydrophobicContact CG2-CB 4.24Å; V714-L716 HydrophobicContact CG2-CD1 3.9Å; V714-L716 HydrophobicContact CG2-CG 3.99Å; V714-L716 PolarHBondContact O-N 2.7Å
715	Q	95.8	Very high	96.4	Very high	188 Å²	188	53.9 Å²	53.9	88%	0.879	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	29.1	177.4	-57	178.4	-4	0	0	114.5	Y711 A712	Y711-Q715 PolarHBondContact O-N 3.46Å; Y711-Q715 VanDerWaalsContact O-N 3.17Å; A712-Q715 PolarHBondContact O-N 3.36Å
716	L	96	Very high	96.4	Very high	90 Å²	90	49.3 Å²	49.3	47%	0.471	26%	0.261	S	S	.	.			trans	-105.7	151.7	176.4	-66.1	178.9	0	0	0	112.2	Y711 V714	Y711-L716 CarbonylContact C-O 3.58Å; Y711-L716 VanDerWaalsContact C-O 3.29Å; Y711-L716 HydrophobicContact CD1-CB 4.21Å; Y711-L716 PolarHBondContact O-N 2.84Å; V714-L716 HydrophobicContact CG2-CB 4.24Å; V714-L716 HydrophobicContact CG2-CD1 3.9Å; V714-L716 HydrophobicContact CG2-CG 3.99Å; V714-L716 PolarHBondContact O-N 2.7Å
717	S	95.4	Very high	96.1	Very high	94 Å²	94	49.8 Å²	49.8	66%	0.657	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-60.6	150.6	163.6	56.9	0	0	0	0	111.2	Y711	Y711-S717 VanDerWaalsContact CD1-O 3.3Å; Y711-S717 WeakPolarHBondContact CD1-O 3.33Å
718	P	95.6	Very high	95.5	Very high	70 Å²	70	52.8 Å²	52.8	46%	0.455	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57	151.2	173.4	25.9	-35.8	0	0	0	111.9	K708	K708-P718 HydrophobicContact CG-CB 4.03Å; K708-P718 HydrophobicContact CG-CG 4.16Å
719	P	97.3	Very high	94.5	Very high	13 Å²	13	49.4 Å²	49.4	8%	0.084	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.3	160.5	-177.4	33.1	-36	0	0	0	111.5	I680 L707 Y711 L721	I680-P719 HydrophobicContact CD1-CB 4.28Å; I680-P719 HydrophobicContact CD1-CG 3.74Å; I680-P719 HydrophobicContact CG1-CB 4.29Å; I680-P719 HydrophobicContact CG1-CG 4.24Å; L707-P719 HydrophobicContact CD1-CG 4.19Å; L707-P719 HydrophobicContact CD2-CG 4.16Å; Y711-P719 HydrophobicContact CD1-CG 4.5Å; Y711-P719 HydrophobicContact CD2-CG 4.4Å; Y711-P719 HydrophobicContact CE1-CB 3.75Å; Y711-P719 HydrophobicContact CE1-CG 3.91Å; Y711-P719 HydrophobicContact CE2-CB 4.49Å; Y711-P719 HydrophobicContact CE2-CG 3.79Å; P719-L721 PolarHBondContact O-N 3.47Å
720	Q	97.3	Very high	93.3	Very high	59 Å²	59	51.5 Å²	51.5	28%	0.276	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.9	164.7	-55.9	-165.9	-77.6	0	0	109.1	S678 R679 I680 S782 M783	S678-Q720 PolarHBondContact O-N 2.96Å; R679-Q720 CarbonylContact C-O 3.55Å; R679-Q720 WeakPolarHBondContact CA-O 3.43Å; R679-Q720 HydrophobicContact CG-CB 4.23Å; I680-Q720 PolarHBondContact N-O 2.88Å; Q720-S782 PolarHBondContact NE2-O 3.11Å; Q720-M783 HydrophobicContact CB-SD 3.77Å; Q720-M783 VanDerWaalsContact NE2-C 3.29Å; Q720-M783 PolarHBondContact NE2-O 3.3Å
721	L	97.3	Very high	92.8	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.3	-176.3	173.6	67.4	0	0	0	110.5	I680 I703 I704 L707 P719 Y780 S781 S782	I680-L721 HydrophobicContact CB-CD1 3.98Å; I680-L721 HydrophobicContact CG2-CD1 3.87Å; I680-L721 CarbonylContact O-C 3.53Å; I680-L721 WeakPolarHBondContact O-CA 3.35Å; I703-L721 HydrophobicContact CG2-CD2 4.08Å; I704-L721 HydrophobicContact CG1-CD2 3.9Å; L707-L721 HydrophobicContact CD1-CD1 4.44Å; L707-L721 HydrophobicContact CD1-CD2 4.05Å; P719-L721 PolarHBondContact O-N 3.47Å; L721-Y780 HydrophobicContact CB-CD1 4.4Å; L721-Y780 HydrophobicContact CB-CE1 4.15Å; L721-Y780 HydrophobicContact CD2-CD1 4.05Å; L721-Y780 HydrophobicContact CD2-CE1 4.19Å; L721-Y780 HydrophobicContact CG-CD1 4.16Å; L721-Y780 HydrophobicContact CG-CE1 4.35Å; L721-S781 CarbonylContact O-C 3.57Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.3Å; L721-S782 PolarHBondContact N-OG 3.34Å; L721-S782 PolarHBondContact O-N 3.45Å; L721-S782 PolarHBondContact O-OG 3.4Å
722	A	97.3	Very high	92.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.5	157.9	0	0	0	0	0	110.6	I680 V681 F682 I724 Y780 M783 M790	I680-A722 PolarHBondContact O-N 3.07Å; V681-A722 HydrophobicContact CG2-CB 4.48Å; F682-A722 PolarHBondContact N-O 3.41Å; A722-I724 HydrophobicContact CB-CD1 4.45Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; A722-Y780 WeakPolarHBondContact CA-O 3.07Å; A722-M783 HydrophobicContact CB-CG 3.59Å; A722-M790 HydrophobicContact CB-CE 3.55Å
723	Y	96.7	Very high	92.3	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.4	174	-171.1	-70.6	0	0	0	109.1	F682 R684 L695 E699 V700 I703 V725 L779 Y780	F682-Y723 HydrophobicContact CB-CD2 4.22Å; F682-Y723 AromaticContact CD1-CD2 3.62Å; F682-Y723 HydrophobicContact CD1-CD2 3.62Å; F682-Y723 AromaticContact CD1-CE2 3.41Å; F682-Y723 HydrophobicContact CD1-CE2 3.41Å; F682-Y723 VanDerWaalsContact CD1-CE2 3.41Å; F682-Y723 HydrophobicContact CD1-CG 4.35Å; F682-Y723 AromaticContact CD1-CZ 3.97Å; F682-Y723 HydrophobicContact CE1-CD2 4.23Å; F682-Y723 AromaticContact CE1-CE2 3.54Å; F682-Y723 HydrophobicContact CE1-CE2 3.54Å; F682-Y723 AromaticContact CE1-CZ 3.94Å; F682-Y723 HydrophobicContact CG-CD2 4.03Å; F682-Y723 HydrophobicContact CG-CE2 4.18Å; F682-Y723 HydrophobicContact CZ-CE2 4.38Å; R684-Y723 HydrophobicContact CB-CE1 4Å; R684-Y723 WeakPolarHBondContact CD-OH 3.12Å; R684-Y723 HydrophobicContact CG-CE1 4.45Å; R684-Y723 VanDerWaalsContact CG-OH 3.29Å; R684-Y723 WeakPolarHBondContact CG-OH 3.43Å; L695-Y723 HydrophobicContact CD2-CE1 3.82Å; L695-Y723 WeakPolarHBondContact CD2-OH 3.47Å; E699-Y723 PolarHBondContact OE2-OH 3.04Å; V700-Y723 HydrophobicContact CG2-CD1 3.77Å; V700-Y723 HydrophobicContact CG2-CD2 3.91Å; V700-Y723 HydrophobicContact CG2-CE1 3.93Å; V700-Y723 HydrophobicContact CG2-CE2 4.03Å; V700-Y723 HydrophobicContact CG2-CG 3.78Å; I703-Y723 HydrophobicContact CD1-CD2 4.28Å; I703-Y723 HydrophobicContact CD1-CE2 3.98Å; Y723-V725 HydrophobicContact CE1-CG2 4.02Å; Y723-L779 HydrophobicContact CD1-CB 4.18Å; Y723-L779 HydrophobicContact CD1-CD1 3.94Å; Y723-L779 HydrophobicContact CD1-CG 4.11Å; Y723-L779 HydrophobicContact CE1-CD1 3.88Å; Y723-L779 HydrophobicContact CE1-CG 4.47Å; Y723-L779 PolarHBondContact O-N 3.36Å; Y723-Y780 PolarHBondContact N-O 3.04Å
724	I	96.6	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.8	-168.8	-48.4	179.1	0	0	0	109.8	V681 F682 Y683 R684 A722 Y776 N777 V778 M790	V681-I724 HydrophobicContact CG1-CD1 3.98Å; F682-I724 PolarHBondContact O-N 3.15Å; Y683-I724 WeakPolarHBondContact CA-O 3.47Å; Y683-I724 HydrophobicContact CD1-CB 3.91Å; Y683-I724 HydrophobicContact CD1-CD1 4.23Å; Y683-I724 HydrophobicContact CD1-CG2 4.11Å; Y683-I724 HydrophobicContact CE1-CB 4.19Å; Y683-I724 HydrophobicContact CE1-CD1 3.68Å; Y683-I724 HydrophobicContact CE1-CG1 4.47Å; Y683-I724 HydrophobicContact CE1-CG2 4.2Å; R684-I724 PolarHBondContact N-O 2.87Å; A722-I724 HydrophobicContact CB-CD1 4.45Å; A722-I724 HydrophobicContact CB-CG1 4.39Å; I724-Y776 HydrophobicContact CG2-CD1 4.19Å; I724-N777 CarbonylContact C-O 3.2Å; I724-N777 WeakPolarHBondContact CA-O 3.21Å; I724-V778 HydrophobicContact CD1-CG2 4.49Å; I724-V778 HydrophobicContact CG1-CG2 4.23Å; I724-V778 HydrophobicContact CG2-CG2 4.48Å; I724-M790 HydrophobicContact CD1-CE 3.75Å
725	V	95.1	Very high	92.3	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127	170.5	174.8	0	0	0	0	109.6	R684 V687 L692 L695 Y723 Y776 N777 L779	R684-V725 HydrophobicContact CB-CG2 4.36Å; V687-V725 HydrophobicContact CB-CG1 4.15Å; L692-V725 HydrophobicContact CD2-CB 4.39Å; L692-V725 HydrophobicContact CD2-CG1 4.17Å; L692-V725 HydrophobicContact CD2-CG2 4.04Å; L695-V725 HydrophobicContact CD2-CG2 3.54Å; Y723-V725 HydrophobicContact CE1-CG2 4.02Å; V725-Y776 WeakPolarHBondContact O-CA 3.23Å; V725-N777 PolarHBondContact N-O 3.39Å; V725-N777 PolarHBondContact O-N 3Å; V725-L779 HydrophobicContact CG2-CD1 3.62Å; V725-L779 HydrophobicContact CG2-CD2 4.25Å; V725-L779 HydrophobicContact CG2-CG 3.91Å
726	V	95.3	Very high	92.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	107.6	178.7	-175.1	0	0	0	0	108.3	Y683 R684 T774 Y776 V810	Y683-V726 HydrophobicContact CD1-CG2 3.71Å; Y683-V726 HydrophobicContact CG-CG2 4.27Å; R684-V726 PolarHBondContact O-N 2.82Å; V726-T774 HydrophobicContact CG1-CG2 3.52Å; V726-Y776 HydrophobicContact CB-CE1 4.41Å; V726-Y776 HydrophobicContact CG1-CD1 4.36Å; V726-Y776 HydrophobicContact CG1-CE1 3.85Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.83Å; V726-V810 HydrophobicContact CG1-CB 4.17Å; V726-V810 HydrophobicContact CG1-CG1 3.79Å
727	T	90.7	Very high	91.9	Very high	53 Å²	53	36 Å²	36	33%	0.325	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.3	179.3	-58.3	0	0	0	0	110.7	S729 S775	T727-S729 PolarHBondContact O-N 3.49Å; T727-S775 PolarHBondContact N-O 3.15Å; T727-S775 PolarHBondContact O-N 2.96Å
728	R	85.1	Confident	91.4	Very high	69 Å²	69	32.4 Å²	32.4	26%	0.26	18%	0.175	S	C	.	.			trans	-74.9	66.4	178.3	-60.8	174.4	-174.6	-121.4	-4.4	111.2	D685 M730 R809 V810	D685-R728 IonicContact OD1-NE 3.3Å; D685-R728 PolarHBondContact OD1-NE 3.38Å; D685-R728 IonicContact OD2-CZ 2.79Å; D685-R728 IonicContact OD2-NE 3Å; D685-R728 PolarHBondContact OD2-NE 3.32Å; D685-R728 IonicContact OD2-NH2 3.38Å; D685-R728 PolarHBondContact OD2-NH2 3.49Å; R728-M730 PolarHBondContact O-N 3.45Å; R728-R809 PolarHBondContact O-NH2 3.06Å; R728-V810 HydrophobicContact CG-CG1 4.15Å
729	S	74.9	Confident	91.3	Very high	17 Å²	17	35.6 Å²	35.6	12%	0.119	18%	0.184	C	C	.	.			trans	-51.3	127.5	-177.4	-170	0	0	0	0	111.6	T727 N731 T732 R809	T727-S729 PolarHBondContact O-N 3.49Å; S729-N731 PolarHBondContact OG-N 3.23Å; S729-T732 WeakPolarHBondContact OG-CB 3.4Å; S729-T732 PolarHBondContact OG-N 3.34Å; S729-T732 VanDerWaalsContact OG-N 3.08Å; S729-T732 PolarHBondContact OG-OG1 3.04Å; S729-R809 PolarHBondContact O-NH2 3.14Å
730	M	71.9	Confident	91.1	Very high	117 Å²	117	37.2 Å²	37.2	58%	0.576	19%	0.192	S	C	*	.	S	Bend	trans	-103.6	-17.8	169.9	-66.3	-176.6	60.6	0	0	111.2	R728 R733	R728-M730 PolarHBondContact O-N 3.45Å; M730-R733 PolarHBondContact O-NE 3.36Å; M730-R733 PolarHBondContact O-NH2 3.1Å
731	N	85.6	Confident	91	Very high	55 Å²	55	34.5 Å²	34.5	29%	0.294	18%	0.18	S	C	.	.	S	Bend	trans	-93.8	-25.9	-171.2	-53.4	23.9	0	0	0	111.8	N102 E238 S729	N102-N731 PolarHBondContact ND2-O 2.87Å; E238-N731 VanDerWaalsContact CD-ND2 3.29Å; E238-N731 PolarHBondContact OE1-ND2 2.93Å; S729-N731 PolarHBondContact OG-N 3.23Å
732	T	92.1	Very high	91	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.043	19%	0.192	C	C	.	.			trans	-87.5	126.5	172.8	-40.7	0	0	0	0	108.9	F103 S729 I751 Y760 P773	F103-T732 HydrophobicContact CE2-CG2 4.01Å; F103-T732 HydrophobicContact CZ-CG2 4.48Å; S729-T732 WeakPolarHBondContact OG-CB 3.4Å; S729-T732 PolarHBondContact OG-N 3.34Å; S729-T732 VanDerWaalsContact OG-N 3.08Å; S729-T732 PolarHBondContact OG-OG1 3.04Å; T732-I751 HydrophobicContact CG2-CD1 3.91Å; T732-Y760 HydrophobicContact CG2-CD1 4.1Å; T732-Y760 HydrophobicContact CG2-CD2 4.39Å; T732-Y760 HydrophobicContact CG2-CE1 3.64Å; T732-Y760 HydrophobicContact CG2-CE2 3.98Å; T732-Y760 HydrophobicContact CG2-CG 4.45Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.29Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.27Å; T732-Y760 PolarHBondContact OG1-OH 3.45Å; T732-Y760 VanDerWaalsContact OG1-OH 3.08Å; T732-P773 VanDerWaalsContact O-CD 3.27Å; T732-P773 WeakPolarHBondContact O-CD 3.27Å; T732-P773 VanDerWaalsContact O-CG 3.23Å; T732-P773 WeakPolarHBondContact O-CG 3.42Å
733	R	93.3	Very high	91	Very high	11 Å²	11	36.8 Å²	36.8	4%	0.042	20%	0.195	C	C	.	.			trans	-130.9	149.6	172.4	-55.3	-66.3	-178.6	176.8	-8.1	109.9	T101 N102 E253 M730 F735 V771 S772	T101-R733 CarbonylContact C-O 3.54Å; T101-R733 WeakPolarHBondContact CA-O 3.47Å; N102-R733 HydrophobicContact CB-CB 3.98Å; N102-R733 HydrophobicContact CB-CG 4.48Å; N102-R733 PolarHBondContact N-O 3.28Å; N102-R733 PolarHBondContact OD1-N 2.88Å; N102-R733 PolarHBondContact OD1-O 3.45Å; N102-R733 VanDerWaalsContact OD1-O 3.14Å; E253-R733 IonicContact OE1-CZ 3.88Å; E253-R733 IonicContact OE1-NE 2.64Å; E253-R733 PolarHBondContact OE1-NE 2.86Å; E253-R733 IonicContact OE1-NH2 2.78Å; E253-R733 PolarHBondContact OE1-NH2 3.19Å; M730-R733 PolarHBondContact O-NE 3.36Å; M730-R733 PolarHBondContact O-NH2 3.1Å; R733-F735 HydrophobicContact CB-CE1 4.47Å; R733-F735 HydrophobicContact CB-CE2 4.18Å; R733-F735 HydrophobicContact CB-CZ 3.84Å; R733-V771 PolarHBondContact NH1-O 3.05Å; R733-S772 VanDerWaalsContact NH1-CA 3.32Å; R733-S772 PolarHBondContact NH1-OG 2.63Å
734	F	94.3	Very high	91	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	155.9	164.2	45.7	-93.9	0	0	0	110.1	L99 Q100 T101 P741 T745 V747 I751 Y760 V762 P773	L99-F734 HydrophobicContact CB-CB 4.33Å; L99-F734 HydrophobicContact CD1-CD2 3.93Å; L99-F734 HydrophobicContact CD1-CE2 4.35Å; Q100-F734 CarbonylContact O-C 3.55Å; Q100-F734 WeakPolarHBondContact O-CA 3.39Å; T101-F734 HydrophobicContact CG2-CB 4.41Å; F734-P741 HydrophobicContact CD2-CB 4.5Å; F734-P741 HydrophobicContact CD2-CG 3.77Å; F734-P741 HydrophobicContact CE2-CG 4.23Å; F734-P741 VanDerWaalsContact O-CD 3.28Å; F734-P741 WeakPolarHBondContact O-CD 3.32Å; F734-P741 WeakPolarHBondContact O-CG 3.43Å; F734-T745 HydrophobicContact CE2-CG2 4.05Å; F734-V747 HydrophobicContact CD1-CG2 4.13Å; F734-V747 HydrophobicContact CD2-CG2 4.07Å; F734-V747 HydrophobicContact CE1-CB 4.29Å; F734-V747 HydrophobicContact CE1-CG2 3.98Å; F734-V747 HydrophobicContact CE2-CG2 3.91Å; F734-V747 HydrophobicContact CG-CG2 4.17Å; F734-V747 HydrophobicContact CZ-CB 4.38Å; F734-V747 HydrophobicContact CZ-CG2 3.86Å; F734-I751 HydrophobicContact CD1-CD1 4Å; F734-Y760 HydrophobicContact CE1-CG 4.26Å; F734-V762 HydrophobicContact CE2-CG2 3.58Å; F734-V762 HydrophobicContact CZ-CG2 3.82Å; F734-P773 HydrophobicContact CD1-CG 4.34Å; F734-P773 HydrophobicContact CE1-CB 3.73Å; F734-P773 HydrophobicContact CE1-CG 3.79Å; F734-P773 HydrophobicContact CZ-CB 3.75Å; F734-P773 HydrophobicContact CZ-CG 4.27Å
735	F	94.3	Very high	91	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.1	-166.1	-47.3	-78.4	0	0	0	109.1	L99 Q100 T101 P395 R398 R733 Q739 T770	L99-F735 WeakPolarHBondContact CA-O 3.35Å; Q100-F735 PolarHBondContact N-O 3.4Å; Q100-F735 VanDerWaalsContact O-CD2 3.29Å; Q100-F735 WeakPolarHBondContact O-CD2 3.17Å; Q100-F735 PolarHBondContact O-N 2.86Å; T101-F735 WeakPolarHBondContact O-CE2 3.24Å; P395-F735 HydrophobicContact CB-CD1 3.76Å; P395-F735 HydrophobicContact CB-CE1 4.13Å; P395-F735 HydrophobicContact CG-CD1 4.31Å; R398-F735 HydrophobicContact CG-CZ 4.35Å; R733-F735 HydrophobicContact CB-CE1 4.47Å; R733-F735 HydrophobicContact CB-CE2 4.18Å; R733-F735 HydrophobicContact CB-CZ 3.84Å; F735-Q739 VanDerWaalsContact CA-O 3.28Å; F735-Q739 WeakPolarHBondContact CA-O 3.42Å; F735-Q739 WeakPolarHBondContact CB-O 3.36Å; F735-T770 HydrophobicContact CD1-CG2 4.43Å; F735-T770 HydrophobicContact CE1-CG2 3.61Å; F735-T770 HydrophobicContact CZ-CG2 4.43Å
736	L	94.2	Very high	91.2	Very high	36 Å²	36	36.7 Å²	36.7	19%	0.188	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-100.9	117.9	172.3	-178.5	60	0	0	0	107.9	V97 M98 L99 I437 G738 Q739 P742	V97-L736 HydrophobicContact CB-CD1 4.03Å; V97-L736 HydrophobicContact CG1-CD1 4.32Å; M98-L736 WeakPolarHBondContact O-CD1 3.32Å; L99-L736 HydrophobicContact CD2-CB 3.83Å; L99-L736 HydrophobicContact CD2-CD1 4.03Å; L99-L736 HydrophobicContact CD2-CG 4.48Å; I437-L736 HydrophobicContact CD1-CD2 4.4Å; L736-G738 PolarHBondContact O-N 3.27Å; L736-G738 VanDerWaalsContact O-N 3.15Å; L736-Q739 PolarHBondContact N-O 3.04Å; L736-Q739 VanDerWaalsContact N-O 3.1Å; L736-Q739 WeakPolarHBondContact O-CA 3.12Å; L736-Q739 WeakPolarHBondContact O-CB 3.47Å; L736-Q739 PolarHBondContact O-N 2.83Å; L736-P742 HydrophobicContact CD2-CG 4.44Å
737	N	89.6	Confident	91.3	Very high	140 Å²	140	36.7 Å²	36.7	75%	0.749	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	40.5	178.7	-57.2	-13.3	0	0	0	113.8	Q739	N737-Q739 PolarHBondContact O-N 2.8Å
738	G	85.7	Confident	91.5	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	8.1	-176.6	0	0	0	0	0	115.5	P395 K396 L736	P395-G738 WeakPolarHBondContact CB-O 3.41Å; K396-G738 PolarHBondContact N-O 2.9Å; L736-G738 PolarHBondContact O-N 3.27Å; L736-G738 VanDerWaalsContact O-N 3.15Å
739	Q	92.4	Very high	91.8	Very high	138 Å²	138	32.1 Å²	32.1	65%	0.645	17%	0.173	S	C	*	.	B	Isolated β-bridge	trans	-113.5	178.2	178.1	-53.9	-164.9	25.6	0	0	112.3	F735 L736 N737	F735-Q739 VanDerWaalsContact CA-O 3.28Å; F735-Q739 WeakPolarHBondContact CA-O 3.42Å; F735-Q739 WeakPolarHBondContact CB-O 3.36Å; L736-Q739 PolarHBondContact N-O 3.04Å; L736-Q739 VanDerWaalsContact N-O 3.1Å; L736-Q739 WeakPolarHBondContact O-CA 3.12Å; L736-Q739 WeakPolarHBondContact O-CB 3.47Å; L736-Q739 PolarHBondContact O-N 2.83Å; N737-Q739 PolarHBondContact O-N 2.8Å
740	N	94.4	Very high	92.6	Very high	46 Å²	46	32.8 Å²	32.8	25%	0.246	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-70	131.8	172.4	-79.9	-42.2	0	0	0	109.5	P395 G769 T770 V771	P395-N740 HydrophobicContact CG-CB 4.27Å; P395-N740 VanDerWaalsContact CG-CG 3.46Å; P395-N740 WeakPolarHBondContact CG-OD1 3.28Å; N740-G769 PolarHBondContact ND2-O 2.95Å; N740-T770 WeakPolarHBondContact OD1-CA 3.17Å; N740-V771 HydrophobicContact CB-CB 4.49Å; N740-V771 HydrophobicContact CB-CG2 3.73Å; N740-V771 PolarHBondContact OD1-N 3.48Å
741	P	95.2	Very high	93.6	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.019	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-63.9	146.4	173.3	-16.8	29.4	0	0	0	111.4	L99 F734 T745 V762	L99-P741 HydrophobicContact CD2-CB 4.5Å; L99-P741 HydrophobicContact CD2-CG 4.43Å; F734-P741 HydrophobicContact CD2-CB 4.5Å; F734-P741 HydrophobicContact CD2-CG 3.77Å; F734-P741 HydrophobicContact CE2-CG 4.23Å; F734-P741 VanDerWaalsContact O-CD 3.28Å; F734-P741 WeakPolarHBondContact O-CD 3.32Å; F734-P741 WeakPolarHBondContact O-CG 3.43Å; P741-T745 HydrophobicContact CB-CG2 3.92Å; P741-T745 WeakPolarHBondContact CB-OG1 3.38Å; P741-V762 HydrophobicContact CB-CG2 4.42Å
742	P	95.9	Very high	93.9	Very high	43 Å²	43	24.6 Å²	24.6	28%	0.279	13%	0.134	S	C	.	.	P	Polyproline II helix	trans	-70.8	161.4	179.1	28.7	-35.1	0	0	0	112.8	I437 L736 G744 T745	I437-P742 HydrophobicContact CD1-CG 3.59Å; I437-P742 HydrophobicContact CG1-CG 4.18Å; I437-P742 HydrophobicContact CG2-CG 4.49Å; L736-P742 HydrophobicContact CD2-CG 4.44Å; P742-G744 PolarHBondContact O-N 2.71Å; P742-T745 WeakPolarHBondContact CD-OG1 3.35Å; P742-T745 WeakPolarHBondContact O-CB 3.4Å; P742-T745 PolarHBondContact O-N 3.19Å; P742-T745 PolarHBondContact O-OG1 3.05Å
743	P	97.2	Very high	93.8	Very high	10 Å²	10	25 Å²	25	7%	0.065	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	135.9	166.6	-26.5	36.3	0	0	0	112.1	A456 V762 Q765 Y795	A456-P743 HydrophobicContact CB-CB 3.67Å; A456-P743 HydrophobicContact CB-CG 3.81Å; P743-V762 CarbonylContact C-O 3.51Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.2Å; P743-Y795 VanDerWaalsContact C-OH 3.3Å; P743-Y795 WeakPolarHBondContact CB-OH 3.45Å
744	G	97.1	Very high	93.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	-2.8	-177	0	0	0	0	0	114.6	I438 P742 I746 V762 Y795	I438-G744 PolarHBondContact N-O 3Å; P742-G744 PolarHBondContact O-N 2.71Å; G744-I746 PolarHBondContact O-N 3.02Å; G744-V762 PolarHBondContact N-O 2.91Å; G744-Y795 VanDerWaalsContact CA-CZ 3.47Å; G744-Y795 PolarHBondContact N-OH 2.78Å
745	T	97.9	Very high	93.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.4	175.2	-50.6	0	0	0	0	111.4	L99 R436 F734 P741 P742 L761 V762	L99-T745 HydrophobicContact CD1-CG2 3.66Å; L99-T745 HydrophobicContact CD2-CG2 4.2Å; R436-T745 CarbonylContact O-C 3.49Å; R436-T745 WeakPolarHBondContact O-CA 3.48Å; F734-T745 HydrophobicContact CE2-CG2 4.05Å; P741-T745 HydrophobicContact CB-CG2 3.92Å; P741-T745 WeakPolarHBondContact CB-OG1 3.38Å; P742-T745 WeakPolarHBondContact CD-OG1 3.35Å; P742-T745 WeakPolarHBondContact O-CB 3.4Å; P742-T745 PolarHBondContact O-N 3.19Å; P742-T745 PolarHBondContact O-OG1 3.05Å; T745-L761 WeakPolarHBondContact O-CA 3.28Å; T745-V762 PolarHBondContact O-N 3.5Å
746	I	98.1	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.1	179.6	-68.3	-170.5	0	0	0	111.2	G435 R436 I438 G744 D748 Y760 L761 Q791	G435-I746 CarbonylContact C-O 3.35Å; G435-I746 WeakPolarHBondContact CA-O 3.44Å; R436-I746 PolarHBondContact N-O 3.02Å; R436-I746 PolarHBondContact O-N 3.39Å; I438-I746 HydrophobicContact CD1-CD1 3.51Å; I438-I746 HydrophobicContact CD1-CG1 4.49Å; I438-I746 HydrophobicContact CG1-CD1 4.04Å; G744-I746 PolarHBondContact O-N 3.02Å; I746-D748 HydrophobicContact CG2-CB 4.36Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.23Å; I746-L761 HydrophobicContact CD1-CD1 4.15Å; I746-L761 HydrophobicContact CG1-CB 4.15Å; I746-L761 HydrophobicContact CG1-CD1 3.68Å; I746-L761 HydrophobicContact CG1-CG 4.48Å; I746-Q791 HydrophobicContact CD1-CB 3.64Å; I746-Q791 HydrophobicContact CD1-CG 3.99Å
747	V	97.3	Very high	92.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	118.3	166.6	-179.5	0	0	0	0	109.1	L99 V433 F734 D749 I751 Y760	L99-V747 HydrophobicContact CD1-CG2 3.5Å; V433-V747 HydrophobicContact CG1-CG1 3.63Å; F734-V747 HydrophobicContact CD1-CG2 4.13Å; F734-V747 HydrophobicContact CD2-CG2 4.07Å; F734-V747 HydrophobicContact CE1-CB 4.29Å; F734-V747 HydrophobicContact CE1-CG2 3.98Å; F734-V747 HydrophobicContact CE2-CG2 3.91Å; F734-V747 HydrophobicContact CG-CG2 4.17Å; F734-V747 HydrophobicContact CZ-CB 4.38Å; F734-V747 HydrophobicContact CZ-CG2 3.86Å; V747-D749 WeakPolarHBondContact CG1-O 3.41Å; V747-I751 HydrophobicContact CG1-CD1 3.89Å; V747-I751 HydrophobicContact CG1-CG1 3.65Å; V747-Y760 PolarHBondContact N-O 2.93Å; V747-Y760 PolarHBondContact O-N 3.15Å
748	D	95.4	Very high	93	Very high	6 Å²	6	20.1 Å²	20.1	3%	0.032	11%	0.11	C	C	.	.			trans	-127.8	15.7	-176.1	52	-12.7	0	0	0	113.4	K90 G91 R436 I746 T752 F759 Q791	K90-D748 WeakPolarHBondContact CA-OD2 3.33Å; G91-D748 PolarHBondContact N-OD2 2.95Å; R436-D748 IonicContact CZ-OD2 2.65Å; R436-D748 VanDerWaalsContact NH2-CG 3.33Å; R436-D748 IonicContact NH2-OD1 2.65Å; R436-D748 PolarHBondContact NH2-OD1 2.85Å; R436-D748 IonicContact NH2-OD2 2.72Å; R436-D748 PolarHBondContact NH2-OD2 3.19Å; I746-D748 HydrophobicContact CG2-CB 4.36Å; D748-T752 PolarHBondContact O-OG1 3Å; D748-F759 HydrophobicContact CB-CB 3.81Å; D748-Q791 PolarHBondContact OD2-NE2 2.84Å
749	D	90.4	Very high	93.6	Very high	19 Å²	19	19.3 Å²	19.3	10%	0.102	10%	0.102	C	C	.	.	S	Bend	trans	-141.7	168.4	177.8	-170.6	29.6	0	0	0	111	K90 V747 I751 T752	K90-D749 HydrophobicContact CD-CB 4.11Å; K90-D749 WeakPolarHBondContact CE-OD1 3.39Å; K90-D749 VanDerWaalsContact CE-OD2 3.31Å; K90-D749 WeakPolarHBondContact CE-OD2 3.45Å; K90-D749 HydrophobicContact CG-CB 4.37Å; K90-D749 IonicContact NZ-OD1 3.88Å; K90-D749 IonicContact NZ-OD2 3.6Å; K90-D749 PolarHBondContact NZ-OD2 2.81Å; V747-D749 WeakPolarHBondContact CG1-O 3.41Å; D749-I751 PolarHBondContact O-N 2.81Å; D749-T752 WeakPolarHBondContact CA-OG1 3.38Å; D749-T752 PolarHBondContact N-OG1 2.8Å
750	V	91.6	Very high	93.8	Very high	31 Å²	31	13.7 Å²	13.7	19%	0.188	8%	0.075	C	C	.	.	S	Bend	trans	60.9	-47.3	172	-169.8	0	0	0	0	117.3	H244 L249 T431 V433	H244-V750 WeakPolarHBondContact CB-O 3.42Å; L249-V750 HydrophobicContact CD1-CG1 4.46Å; L249-V750 WeakPolarHBondContact CD1-O 3.46Å; T431-V750 HydrophobicContact CG2-CG1 3.95Å; V433-V750 HydrophobicContact CB-CB 4.42Å; V433-V750 HydrophobicContact CG1-CB 3.9Å; V433-V750 HydrophobicContact CG1-CG2 3.99Å; V433-V750 HydrophobicContact CG2-CB 3.69Å; V433-V750 HydrophobicContact CG2-CG1 3.77Å; V433-V750 HydrophobicContact CG2-CG2 4.3Å
751	I	93.1	Very high	94	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-107.4	-1	177.6	58.5	170.3	0	0	0	113.2	T101 F103 H244 L249 V433 T732 F734 V747 D749 Y760	T101-I751 HydrophobicContact CG2-CD1 4.05Å; T101-I751 HydrophobicContact CG2-CG2 4.03Å; F103-I751 HydrophobicContact CB-CG2 4.39Å; F103-I751 HydrophobicContact CD1-CG2 4.5Å; F103-I751 HydrophobicContact CD2-CB 4.34Å; F103-I751 HydrophobicContact CD2-CG2 3.67Å; F103-I751 HydrophobicContact CE2-CB 4.21Å; F103-I751 HydrophobicContact CE2-CG2 4.04Å; F103-I751 HydrophobicContact CG-CG2 3.94Å; H244-I751 PolarHBondContact CE1-O 2.9Å; H244-I751 VanDerWaalsContact CE1-O 3.24Å; H244-I751 VanDerWaalsContact ND1-C 3.31Å; H244-I751 PolarHBondContact ND1-O 3.24Å; H244-I751 VanDerWaalsContact ND1-O 3.1Å; L249-I751 HydrophobicContact CD1-CG2 3.91Å; V433-I751 HydrophobicContact CG2-CG2 4.15Å; T732-I751 HydrophobicContact CG2-CD1 3.91Å; F734-I751 HydrophobicContact CD1-CD1 4Å; V747-I751 HydrophobicContact CG1-CD1 3.89Å; V747-I751 HydrophobicContact CG1-CG1 3.65Å; D749-I751 PolarHBondContact O-N 2.81Å; I751-Y760 HydrophobicContact CD1-CD2 4.48Å; I751-Y760 HydrophobicContact CG1-CD2 4.45Å; I751-Y760 HydrophobicContact CG1-CE2 4.36Å
752	T	93.1	Very high	94.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-72.7	174.1	163.4	41.6	0	0	0	0	111.2	H244 E245 D748 D749 D758 Y760	H244-T752 PolarHBondContact ND1-O 3.43Å; E245-T752 WeakPolarHBondContact CG-OG1 3.48Å; E245-T752 VanDerWaalsContact OE1-C 3.22Å; E245-T752 PolarHBondContact OE1-OG1 3.28Å; D748-T752 PolarHBondContact O-OG1 3Å; D749-T752 WeakPolarHBondContact CA-OG1 3.38Å; D749-T752 PolarHBondContact N-OG1 2.8Å; T752-D758 WeakPolarHBondContact CB-OD1 3.05Å; T752-D758 WeakPolarHBondContact CG2-O 3.37Å; T752-Y760 HydrophobicContact CG2-CD2 4.22Å; T752-Y760 HydrophobicContact CG2-CE2 4.26Å
753	L	89.4	Confident	94.1	Very high	15 Å²	15	9.6 Å²	9.6	8%	0.079	5%	0.05	C	C	.	.			trans	-109.7	135.1	-177.1	-67.7	171.7	0	0	0	112.5	K89 R242 E245 E755 R756 D758	K89-L753 PolarHBondContact NZ-O 2.77Å; R242-L753 HydrophobicContact CB-CD2 4.44Å; E245-L753 PolarHBondContact OE1-N 3.14Å; E245-L753 VanDerWaalsContact OE1-O 3.1Å; L753-E755 VanDerWaalsContact C-N 3.29Å; L753-E755 PolarHBondContact O-N 2.9Å; L753-R756 HydrophobicContact CB-CB 4.41Å; L753-R756 HydrophobicContact CB-CG 4.02Å; L753-R756 VanDerWaalsContact CD1-NE 3.32Å; L753-R756 PolarHBondContact O-N 2.99Å; L753-D758 PolarHBondContact N-OD1 2.84Å
754	P	87.7	Confident	93.9	Very high	37 Å²	37	11.8 Å²	11.8	24%	0.24	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.5	-170.3	-24.2	31.9	0	0	0	113.7	R82 Q243 H244 R756	R82-P754 WeakPolarHBondContact CD-O 3.4Å; R82-P754 PolarHBondContact NH1-O 3.38Å; Q243-P754 HydrophobicContact CG-CG 4.42Å; H244-P754 WeakPolarHBondContact O-CG 3.33Å; P754-R756 PolarHBondContact O-N 3.05Å
755	E	85.4	Confident	93.7	Very high	13 Å²	13	14.1 Å²	14.1	6%	0.061	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	5.4	-178.1	79.8	-75	168.6	0	0	114.3	Y78 N80 T81 R82 L753	Y78-E755 HydrophobicContact CD2-CG 4.26Å; Y78-E755 HydrophobicContact CE1-CB 3.85Å; Y78-E755 HydrophobicContact CE1-CG 3.96Å; Y78-E755 HydrophobicContact CE2-CB 4.26Å; Y78-E755 HydrophobicContact CE2-CG 3.59Å; Y78-E755 WeakPolarHBondContact CE2-OE2 3.4Å; Y78-E755 VanDerWaalsContact CZ-CG 3.44Å; Y78-E755 WeakPolarHBondContact OH-CB 3.43Å; Y78-E755 PolarHBondContact OH-OE2 2.89Å; N80-E755 CarbonylContact C-O 3.5Å; N80-E755 WeakPolarHBondContact CA-O 3.45Å; N80-E755 HydrophobicContact CB-CB 4.35Å; N80-E755 PolarHBondContact OD1-O 2.8Å; T81-E755 PolarHBondContact N-O 3.12Å; R82-E755 PolarHBondContact N-O 2.75Å; L753-E755 VanDerWaalsContact C-N 3.29Å; L753-E755 PolarHBondContact O-N 2.9Å
756	R	89.1	Confident	93.2	Very high	32 Å²	32	16.5 Å²	16.5	12%	0.121	9%	0.085	C	C	.	.			trans	-123.5	141.7	-171.2	-57.1	-173.4	-167.6	-147.8	-11.9	112	T81 K89 L753 P754 D758	T81-R756 WeakPolarHBondContact OG1-CA 3.14Å; K89-R756 WeakPolarHBondContact CD-O 3.35Å; K89-R756 PolarHBondContact NZ-O 3.04Å; L753-R756 HydrophobicContact CB-CB 4.41Å; L753-R756 HydrophobicContact CB-CG 4.02Å; L753-R756 VanDerWaalsContact CD1-NE 3.32Å; L753-R756 PolarHBondContact O-N 2.99Å; P754-R756 PolarHBondContact O-N 3.05Å; R756-D758 HydrophobicContact CB-CB 3.84Å; R756-D758 VanDerWaalsContact CB-CG 3.47Å; R756-D758 PolarHBondContact O-N 2.92Å
757	Y	93.5	Very high	92.6	Very high	8 Å²	8	25.8 Å²	25.8	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	75.1	154.7	-177.5	-171.1	0	0	0	108.4	T81 L86 K89 V778 P787	T81-Y757 PolarHBondContact OG1-N 2.87Å; L86-Y757 HydrophobicContact CD2-CD1 3.6Å; L86-Y757 HydrophobicContact CD2-CD2 3.7Å; L86-Y757 HydrophobicContact CD2-CE1 3.99Å; L86-Y757 HydrophobicContact CD2-CE2 4.09Å; L86-Y757 HydrophobicContact CD2-CG 3.45Å; L86-Y757 VanDerWaalsContact CD2-CG 3.45Å; K89-Y757 HydrophobicContact CB-CD2 3.88Å; K89-Y757 HydrophobicContact CB-CE2 4.26Å; Y757-V778 HydrophobicContact CD1-CB 3.6Å; Y757-V778 HydrophobicContact CD1-CG1 3.76Å; Y757-V778 HydrophobicContact CD1-CG2 3.93Å; Y757-V778 HydrophobicContact CD2-CG2 4.29Å; Y757-V778 HydrophobicContact CE1-CB 4.1Å; Y757-V778 HydrophobicContact CE1-CG1 4.03Å; Y757-V778 HydrophobicContact CE1-CG2 4.01Å; Y757-V778 HydrophobicContact CE2-CG2 4.34Å; Y757-V778 HydrophobicContact CG-CB 3.84Å; Y757-V778 HydrophobicContact CG-CG1 4.49Å; Y757-V778 HydrophobicContact CG-CG2 4.07Å; Y757-V778 WeakPolarHBondContact O-CB 3.43Å; Y757-V778 PolarHBondContact O-N 2.88Å; Y757-P787 HydrophobicContact CE2-CB 4.2Å; Y757-P787 HydrophobicContact CE2-CG 4.32Å; Y757-P787 WeakPolarHBondContact OH-CA 3.1Å
758	D	94.1	Very high	91.8	Very high	3 Å²	3	32 Å²	32	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	154.5	179.9	68.4	-13.7	0	0	0	114.2	K89 T752 L753 R756 Y776 N777	K89-D758 IonicContact NZ-OD1 3.37Å; K89-D758 PolarHBondContact NZ-OD1 3.42Å; T752-D758 WeakPolarHBondContact CB-OD1 3.05Å; T752-D758 WeakPolarHBondContact CG2-O 3.37Å; L753-D758 PolarHBondContact N-OD1 2.84Å; R756-D758 HydrophobicContact CB-CB 3.84Å; R756-D758 VanDerWaalsContact CB-CG 3.47Å; R756-D758 PolarHBondContact O-N 2.92Å; D758-Y776 CarbonylContact C-O 3.51Å; D758-Y776 WeakPolarHBondContact CA-O 3.33Å; D758-Y776 WeakPolarHBondContact CB-O 3.2Å; D758-N777 HydrophobicContact CB-CB 4.12Å
759	F	96.9	Very high	91.4	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.009	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	159.8	173.2	63.7	-88	0	0	0	111.4	D748 L761 S775 Y776 Q791 T794	D748-F759 HydrophobicContact CB-CB 3.81Å; F759-L761 HydrophobicContact CD2-CB 4.39Å; F759-L761 HydrophobicContact CE2-CB 4.28Å; F759-S775 WeakPolarHBondContact O-CA 3.49Å; F759-Y776 HydrophobicContact CD2-CD2 4.13Å; F759-Y776 AromaticContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CE2 4.46Å; F759-Y776 AromaticContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CD2 4.14Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 2.88Å; F759-Y776 PolarHBondContact O-N 3.13Å; F759-Q791 HydrophobicContact CD1-CG 4.04Å; F759-Q791 HydrophobicContact CD2-CG 3.9Å; F759-Q791 HydrophobicContact CE1-CG 4.04Å; F759-Q791 HydrophobicContact CE2-CB 4.45Å; F759-Q791 HydrophobicContact CE2-CG 3.91Å; F759-Q791 HydrophobicContact CG-CG 3.97Å; F759-Q791 HydrophobicContact CZ-CG 3.97Å; F759-T794 HydrophobicContact CE2-CG2 4.48Å; F759-T794 HydrophobicContact CZ-CG2 4.29Å
760	Y	97.6	Very high	91.3	Very high	20 Å²	20	32.2 Å²	32.2	8%	0.078	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.3	169.1	-64.5	-84.4	0	0	0	110.4	T732 F734 I746 V747 I751 T752 P773 T774	T732-Y760 HydrophobicContact CG2-CD1 4.1Å; T732-Y760 HydrophobicContact CG2-CD2 4.39Å; T732-Y760 HydrophobicContact CG2-CE1 3.64Å; T732-Y760 HydrophobicContact CG2-CE2 3.98Å; T732-Y760 HydrophobicContact CG2-CG 4.45Å; T732-Y760 VanDerWaalsContact OG1-CE1 3.29Å; T732-Y760 WeakPolarHBondContact OG1-CE1 3.27Å; T732-Y760 PolarHBondContact OG1-OH 3.45Å; T732-Y760 VanDerWaalsContact OG1-OH 3.08Å; F734-Y760 HydrophobicContact CE1-CG 4.26Å; I746-Y760 VanDerWaalsContact CA-O 3.27Å; I746-Y760 WeakPolarHBondContact CA-O 3.23Å; V747-Y760 PolarHBondContact N-O 2.93Å; V747-Y760 PolarHBondContact O-N 3.15Å; I751-Y760 HydrophobicContact CD1-CD2 4.48Å; I751-Y760 HydrophobicContact CG1-CD2 4.45Å; I751-Y760 HydrophobicContact CG1-CE2 4.36Å; T752-Y760 HydrophobicContact CG2-CD2 4.22Å; T752-Y760 HydrophobicContact CG2-CE2 4.26Å; Y760-P773 HydrophobicContact CD1-CB 4.47Å; Y760-T774 WeakPolarHBondContact CA-O 3.46Å
761	L	97.8	Very high	91.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.2	173.2	162.8	66.8	0	0	0	110	T745 I746 F759 S763 T774 Y776 T794 Y795	T745-L761 WeakPolarHBondContact O-CA 3.28Å; I746-L761 HydrophobicContact CD1-CD1 4.15Å; I746-L761 HydrophobicContact CG1-CB 4.15Å; I746-L761 HydrophobicContact CG1-CD1 3.68Å; I746-L761 HydrophobicContact CG1-CG 4.48Å; F759-L761 HydrophobicContact CD2-CB 4.39Å; F759-L761 HydrophobicContact CE2-CB 4.28Å; L761-S763 PolarHBondContact O-N 2.94Å; L761-T774 PolarHBondContact N-O 3.08Å; L761-T774 PolarHBondContact O-N 3.27Å; L761-Y776 HydrophobicContact CB-CD2 4.23Å; L761-Y776 HydrophobicContact CB-CE2 3.86Å; L761-Y776 HydrophobicContact CD2-CE2 4.17Å; L761-Y776 HydrophobicContact CG-CE2 4.43Å; L761-T794 HydrophobicContact CD2-CG2 4.21Å; L761-Y795 HydrophobicContact CD1-CD2 4.07Å; L761-Y795 HydrophobicContact CD1-CG 4.41Å; L761-Y795 HydrophobicContact CD2-CD2 4.29Å
762	V	97.5	Very high	91.1	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	93.8	161.7	173.5	0	0	0	0	107.2	F734 P741 P743 G744 T745 V771 P773	F734-V762 HydrophobicContact CE2-CG2 3.58Å; F734-V762 HydrophobicContact CZ-CG2 3.82Å; P741-V762 HydrophobicContact CB-CG2 4.42Å; P743-V762 CarbonylContact C-O 3.51Å; G744-V762 PolarHBondContact N-O 2.91Å; T745-V762 PolarHBondContact O-N 3.5Å; V762-V771 HydrophobicContact CB-CG1 4.22Å; V762-V771 HydrophobicContact CG1-CG1 3.59Å; V762-V771 HydrophobicContact CG2-CG1 3.62Å; V762-P773 HydrophobicContact CG2-CB 4.05Å
763	S	96.4	Very high	91.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	16%	0.158	C	C	.	.			trans	-84.7	-30.9	174.7	58.7	0	0	0	0	112.7	L761 T807 T808 R809	L761-S763 PolarHBondContact O-N 2.94Å; S763-T807 WeakPolarHBondContact O-CB 3.43Å; S763-T807 PolarHBondContact O-OG1 2.96Å; S763-T808 WeakPolarHBondContact CB-O 3.15Å; S763-T808 PolarHBondContact OG-O 3.05Å; S763-R809 VanDerWaalsContact OG-CA 3.28Å; S763-R809 WeakPolarHBondContact OG-CA 3.34Å; S763-R809 PolarHBondContact OG-O 3.37Å
764	Q	93.4	Very high	91.5	Very high	57 Å²	57	32 Å²	32	27%	0.266	16%	0.155	S	C	.	.	S	Bend	trans	-124.5	125.1	-170.2	174.5	171.2	67.6	0	0	112.4	T807 R809	Q764-T807 WeakPolarHBondContact CG-O 3.25Å; Q764-T807 PolarHBondContact NE2-O 2.86Å; Q764-R809 HydrophobicContact CB-CB 4.33Å
765	Q	91.4	Very high	91.9	Very high	48 Å²	48	30.9 Å²	30.9	22%	0.224	15%	0.148	C	C	.	.			trans	-67.1	157.2	170.7	55.2	137.9	-39.5	0	0	113.1	N455 P743	N455-Q765 WeakPolarHBondContact O-CG 3.21Å; N455-Q765 PolarHBondContact O-NE2 2.79Å; P743-Q765 HydrophobicContact CG-CB 3.95Å; P743-Q765 HydrophobicContact CG-CG 4.2Å
766	V	88	Confident	92.4	Very high	50 Å²	50	30.2 Å²	30.2	30%	0.303	15%	0.145	S	C	.	.			trans	-127	131.6	171.6	-54.7	0	0	0	0	111.1	Q768 V771	V766-Q768 VanDerWaalsContact C-N 3.28Å; V766-Q768 WeakPolarHBondContact CG2-O 3.3Å; V766-Q768 PolarHBondContact O-N 3.38Å; V766-V771 HydrophobicContact CG1-CG2 4.41Å; V766-V771 HydrophobicContact CG2-CG2 3.89Å
767	R	84.7	Confident	92.6	Very high	195 Å²	195	29 Å²	29	74%	0.736	14%	0.14	S	C	*	.	S	Bend	trans	-73.6	-16.3	179.7	-60.7	-175.1	-175.9	-175.8	1.4	114	D457	D457-R767 IonicContact OD2-NH2 2.94Å
768	Q	82	Confident	92.7	Very high	132 Å²	132	28.7 Å²	28.7	62%	0.617	14%	0.14	S	C	*	.	S	Bend	trans	-149.7	148.7	179.9	-70	-174.5	-11.3	0	0	110.1	V766	V766-Q768 VanDerWaalsContact C-N 3.28Å; V766-Q768 WeakPolarHBondContact CG2-O 3.3Å; V766-Q768 PolarHBondContact O-N 3.38Å
769	G	87.3	Confident	92.6	Very high	13 Å²	13	28.9 Å²	28.9	13%	0.134	14%	0.14	C	C	.	.	S	Bend	trans	74	-157.8	-179.4	0	0	0	0	0	113.1	M393 N740	M393-G769 CarbonylContact O-C 3.52Å; M393-G769 VanDerWaalsContact O-CA 3.3Å; M393-G769 WeakPolarHBondContact O-CA 3.43Å; N740-G769 PolarHBondContact ND2-O 2.95Å
770	T	87.5	Confident	92.4	Very high	15 Å²	15	32.6 Å²	32.6	9%	0.092	16%	0.155	C	C	.	.			trans	-102.6	134.7	-176.2	-39.5	0	0	0	0	111.9	M393 R398 F735 N740	M393-T770 PolarHBondContact O-N 3.03Å; M393-T770 PolarHBondContact O-OG1 3.41Å; R398-T770 PolarHBondContact NE-OG1 3.01Å; R398-T770 PolarHBondContact NH2-OG1 3.46Å; F735-T770 HydrophobicContact CD1-CG2 4.43Å; F735-T770 HydrophobicContact CE1-CG2 3.61Å; F735-T770 HydrophobicContact CZ-CG2 4.43Å; N740-T770 WeakPolarHBondContact OD1-CA 3.17Å
771	V	90.1	Very high	92.2	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.03	16%	0.164	C	C	.	.			trans	-55.1	138.9	168.1	164.9	0	0	0	0	110.1	R733 N740 V762 V766	R733-V771 PolarHBondContact NH1-O 3.05Å; N740-V771 HydrophobicContact CB-CB 4.49Å; N740-V771 HydrophobicContact CB-CG2 3.73Å; N740-V771 PolarHBondContact OD1-N 3.48Å; V762-V771 HydrophobicContact CB-CG1 4.22Å; V762-V771 HydrophobicContact CG1-CG1 3.59Å; V762-V771 HydrophobicContact CG2-CG1 3.62Å; V766-V771 HydrophobicContact CG1-CG2 4.41Å; V766-V771 HydrophobicContact CG2-CG2 3.89Å
772	S	90.1	Very high	92.1	Very high	33 Å²	33	35.6 Å²	35.6	23%	0.231	18%	0.179	C	C	.	.			trans	-113	102.4	174.9	-47.9	0	0	0	0	107.6	R733 R809	R733-S772 VanDerWaalsContact NH1-CA 3.32Å; R733-S772 PolarHBondContact NH1-OG 2.63Å; S772-R809 VanDerWaalsContact O-CZ 3.23Å; S772-R809 PolarHBondContact O-NE 3.44Å; S772-R809 PolarHBondContact O-NH2 2.89Å
773	P	94.8	Very high	91.7	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.019	18%	0.179	C	C	.	.			trans	-62.8	160.1	-177.9	27.3	-35	0	0	0	111.2	T732 F734 Y760 V762 R809	T732-P773 VanDerWaalsContact O-CD 3.27Å; T732-P773 WeakPolarHBondContact O-CD 3.27Å; T732-P773 VanDerWaalsContact O-CG 3.23Å; T732-P773 WeakPolarHBondContact O-CG 3.42Å; F734-P773 HydrophobicContact CD1-CG 4.34Å; F734-P773 HydrophobicContact CE1-CB 3.73Å; F734-P773 HydrophobicContact CE1-CG 3.79Å; F734-P773 HydrophobicContact CZ-CB 3.75Å; F734-P773 HydrophobicContact CZ-CG 4.27Å; Y760-P773 HydrophobicContact CD1-CB 4.47Å; V762-P773 HydrophobicContact CG2-CB 4.05Å; P773-R809 PolarHBondContact O-NH2 2.72Å
774	T	96.4	Very high	91.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.7	172.8	-60.8	0	0	0	0	108.7	V726 Y760 L761 Y776 R809 V810	V726-T774 HydrophobicContact CG1-CG2 3.52Å; Y760-T774 WeakPolarHBondContact CA-O 3.46Å; L761-T774 PolarHBondContact N-O 3.08Å; L761-T774 PolarHBondContact O-N 3.27Å; T774-Y776 HydrophobicContact CG2-CD2 4.22Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.51Å; T774-Y776 WeakPolarHBondContact O-CD2 3.47Å; T774-Y776 WeakPolarHBondContact O-CE2 3.49Å; T774-R809 WeakPolarHBondContact CB-O 3.47Å; T774-R809 WeakPolarHBondContact OG1-CG 3.49Å; T774-R809 PolarHBondContact OG1-NE 2.77Å; T774-R809 PolarHBondContact OG1-O 2.84Å; T774-V810 HydrophobicContact CG2-CG1 4.24Å
775	S	95.3	Very high	91.1	Very high	13 Å²	13	38.4 Å²	38.4	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.3	174.2	179.7	0	0	0	0	109	T727 F759	T727-S775 PolarHBondContact N-O 3.15Å; T727-S775 PolarHBondContact O-N 2.96Å; F759-S775 WeakPolarHBondContact O-CA 3.49Å
776	Y	96.3	Very high	91.1	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	115.5	176.5	-64.5	-91.1	0	0	0	107.1	Y683 I724 V725 V726 D758 F759 L761 T774 T794 P811	Y683-Y776 HydrophobicContact CD1-CD1 4.46Å; Y683-Y776 HydrophobicContact CE1-CD1 4.26Å; Y683-Y776 HydrophobicContact CE1-CE1 4.36Å; I724-Y776 HydrophobicContact CG2-CD1 4.19Å; V725-Y776 WeakPolarHBondContact O-CA 3.23Å; V726-Y776 HydrophobicContact CB-CE1 4.41Å; V726-Y776 HydrophobicContact CG1-CD1 4.36Å; V726-Y776 HydrophobicContact CG1-CE1 3.85Å; V726-Y776 HydrophobicContact CG2-CD1 3.9Å; V726-Y776 HydrophobicContact CG2-CE1 3.83Å; D758-Y776 CarbonylContact C-O 3.51Å; D758-Y776 WeakPolarHBondContact CA-O 3.33Å; D758-Y776 WeakPolarHBondContact CB-O 3.2Å; F759-Y776 HydrophobicContact CD2-CD2 4.13Å; F759-Y776 AromaticContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CD2 3.63Å; F759-Y776 HydrophobicContact CE2-CE2 4.46Å; F759-Y776 AromaticContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CE2-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CD2 4.14Å; F759-Y776 AromaticContact CZ-CG 3.84Å; F759-Y776 HydrophobicContact CZ-CG 3.84Å; F759-Y776 PolarHBondContact N-O 2.88Å; F759-Y776 PolarHBondContact O-N 3.13Å; L761-Y776 HydrophobicContact CB-CD2 4.23Å; L761-Y776 HydrophobicContact CB-CE2 3.86Å; L761-Y776 HydrophobicContact CD2-CE2 4.17Å; L761-Y776 HydrophobicContact CG-CE2 4.43Å; T774-Y776 HydrophobicContact CG2-CD2 4.22Å; T774-Y776 HydrophobicContact CG2-CE1 4.19Å; T774-Y776 HydrophobicContact CG2-CE2 3.51Å; T774-Y776 WeakPolarHBondContact O-CD2 3.47Å; T774-Y776 WeakPolarHBondContact O-CE2 3.49Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.36Å; Y776-T794 HydrophobicContact CE1-CG2 3.33Å; Y776-T794 HydrophobicContact CE2-CG2 4.11Å; Y776-T794 HydrophobicContact CG-CG2 4.14Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å
777	N	94.2	Very high	91.4	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.3	176.9	-178.7	18.1	0	0	0	109	T81 I724 V725 D758 L779	T81-N777 PolarHBondContact OG1-OD1 3.46Å; I724-N777 CarbonylContact C-O 3.2Å; I724-N777 WeakPolarHBondContact CA-O 3.21Å; V725-N777 PolarHBondContact N-O 3.39Å; V725-N777 PolarHBondContact O-N 3Å; D758-N777 HydrophobicContact CB-CB 4.12Å; N777-L779 VanDerWaalsContact ND2-CD2 3.35Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.44Å; N777-L779 PolarHBondContact O-N 2.99Å
778	V	94.7	Very high	91.9	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	113.7	174.6	-172.9	0	0	0	0	107.3	T81 I724 Y757 Y780	T81-V778 WeakPolarHBondContact CB-O 3.36Å; T81-V778 PolarHBondContact OG1-O 2.95Å; I724-V778 HydrophobicContact CD1-CG2 4.49Å; I724-V778 HydrophobicContact CG1-CG2 4.23Å; I724-V778 HydrophobicContact CG2-CG2 4.48Å; Y757-V778 HydrophobicContact CD1-CB 3.6Å; Y757-V778 HydrophobicContact CD1-CG1 3.76Å; Y757-V778 HydrophobicContact CD1-CG2 3.93Å; Y757-V778 HydrophobicContact CD2-CG2 4.29Å; Y757-V778 HydrophobicContact CE1-CB 4.1Å; Y757-V778 HydrophobicContact CE1-CG1 4.03Å; Y757-V778 HydrophobicContact CE1-CG2 4.01Å; Y757-V778 HydrophobicContact CE2-CG2 4.34Å; Y757-V778 HydrophobicContact CG-CB 3.84Å; Y757-V778 HydrophobicContact CG-CG1 4.49Å; Y757-V778 HydrophobicContact CG-CG2 4.07Å; Y757-V778 WeakPolarHBondContact O-CB 3.43Å; Y757-V778 PolarHBondContact O-N 2.88Å; V778-Y780 WeakPolarHBondContact CG1-O 3.18Å
779	L	92.6	Very high	92.5	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-29.7	178.2	-55.2	-167.6	0	0	0	112.1	T81 L692 L695 F696 V700 Y723 V725 N777	T81-L779 HydrophobicContact CG2-CD2 3.7Å; L692-L779 HydrophobicContact CD2-CD2 4.43Å; L695-L779 HydrophobicContact CD2-CD1 3.73Å; F696-L779 HydrophobicContact CD2-CB 4.2Å; F696-L779 WeakPolarHBondContact CE2-O 3.4Å; V700-L779 HydrophobicContact CG2-CD1 4.24Å; Y723-L779 HydrophobicContact CD1-CB 4.18Å; Y723-L779 HydrophobicContact CD1-CD1 3.94Å; Y723-L779 HydrophobicContact CD1-CG 4.11Å; Y723-L779 HydrophobicContact CE1-CD1 3.88Å; Y723-L779 HydrophobicContact CE1-CG 4.47Å; Y723-L779 PolarHBondContact O-N 3.36Å; V725-L779 HydrophobicContact CG2-CD1 3.62Å; V725-L779 HydrophobicContact CG2-CD2 4.25Å; V725-L779 HydrophobicContact CG2-CG 3.91Å; N777-L779 VanDerWaalsContact ND2-CD2 3.35Å; N777-L779 WeakPolarHBondContact ND2-CD2 3.44Å; N777-L779 PolarHBondContact O-N 2.99Å
780	Y	93.4	Very high	92.9	Very high	80 Å²	80	25.2 Å²	25.2	31%	0.314	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	143	-179.6	178.6	-92.1	0	0	0	109.3	V700 I704 L721 A722 Y723 V778	V700-Y780 HydrophobicContact CG1-CG 4.34Å; I704-Y780 HydrophobicContact CD1-CD1 4.09Å; I704-Y780 HydrophobicContact CD1-CD2 3.82Å; I704-Y780 HydrophobicContact CD1-CE1 3.99Å; I704-Y780 HydrophobicContact CD1-CE2 3.71Å; I704-Y780 HydrophobicContact CD1-CG 4.01Å; I704-Y780 HydrophobicContact CG1-CE1 4.37Å; L721-Y780 HydrophobicContact CB-CD1 4.4Å; L721-Y780 HydrophobicContact CB-CE1 4.15Å; L721-Y780 HydrophobicContact CD2-CD1 4.05Å; L721-Y780 HydrophobicContact CD2-CE1 4.19Å; L721-Y780 HydrophobicContact CG-CD1 4.16Å; L721-Y780 HydrophobicContact CG-CE1 4.35Å; A722-Y780 WeakPolarHBondContact CA-O 3.07Å; Y723-Y780 PolarHBondContact N-O 3.04Å; V778-Y780 WeakPolarHBondContact CG1-O 3.18Å
781	S	93.1	Very high	93.4	Very high	37 Å²	37	24.5 Å²	24.5	26%	0.259	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	119.1	174.3	-178.5	0	0	0	0	111.8	L721 M783	L721-S781 CarbonylContact O-C 3.57Å; L721-S781 VanDerWaalsContact O-CA 3.29Å; L721-S781 WeakPolarHBondContact O-CA 3.3Å; S781-M783 PolarHBondContact OG-N 3.02Å
782	S	94.1	Very high	93.7	Very high	46 Å²	46	27.2 Å²	27.2	32%	0.322	17%	0.165	S	C	.	.			trans	-109.9	19.4	163.8	59.1	0	0	0	0	112.3	Q720 L721 G784	Q720-S782 PolarHBondContact NE2-O 3.11Å; L721-S782 PolarHBondContact N-OG 3.34Å; L721-S782 PolarHBondContact O-N 3.45Å; L721-S782 PolarHBondContact O-OG 3.4Å; S782-G784 PolarHBondContact O-N 3.11Å
783	M	90	Very high	94	Very high	4 Å²	4	26 Å²	26	2%	0.02	16%	0.155	C	C	.	.	S	Bend	trans	-72.3	-20.8	-175.5	-70.9	-69.2	-68.1	0	0	115	R679 V681 Q720 A722 S781 L785 M790	R679-M783 HydrophobicContact CB-CE 4.13Å; R679-M783 HydrophobicContact CB-SD 4.25Å; R679-M783 HydrophobicContact CG-CE 4.42Å; V681-M783 HydrophobicContact CG2-CE 3.86Å; V681-M783 HydrophobicContact CG2-SD 4.28Å; Q720-M783 HydrophobicContact CB-SD 3.77Å; Q720-M783 VanDerWaalsContact NE2-C 3.29Å; Q720-M783 PolarHBondContact NE2-O 3.3Å; A722-M783 HydrophobicContact CB-CG 3.59Å; S781-M783 PolarHBondContact OG-N 3.02Å; M783-L785 HydrophobicContact CB-CB 4.25Å; M783-L785 HydrophobicContact CB-CD1 4.39Å; M783-L785 HydrophobicContact CB-CG 4.19Å; M783-L785 HydrophobicContact CE-CD1 3.63Å; M783-L785 HydrophobicContact CE-CG 4.41Å; M783-L785 PolarHBondContact O-N 3.49Å; M783-M790 HydrophobicContact CB-SD 4.4Å; M783-M790 HydrophobicContact CG-SD 4.46Å
784	G	86.4	Confident	94.2	Very high	74 Å²	74	25.8 Å²	25.8	76%	0.763	15%	0.154	S	C	*	.			trans	61.1	10.5	-171.7	0	0	0	0	0	114.6	S782	S782-G784 PolarHBondContact O-N 3.11Å
785	L	89.9	Confident	94.3	Very high	42 Å²	42	26.1 Å²	26.1	22%	0.22	16%	0.155	C	C	.	.			trans	-89.4	129.1	-177.9	-72.2	-179.8	0	0	0	111.2	L605 M783 M790	L605-L785 HydrophobicContact CD1-CD1 4.13Å; M783-L785 HydrophobicContact CB-CB 4.25Å; M783-L785 HydrophobicContact CB-CD1 4.39Å; M783-L785 HydrophobicContact CB-CG 4.19Å; M783-L785 HydrophobicContact CE-CD1 3.63Å; M783-L785 HydrophobicContact CE-CG 4.41Å; M783-L785 PolarHBondContact O-N 3.49Å; L785-M790 HydrophobicContact CB-CG 3.88Å; L785-M790 HydrophobicContact CB-SD 3.85Å; L785-M790 HydrophobicContact CD1-SD 3.74Å; L785-M790 HydrophobicContact CG-SD 4.41Å
786	P	92.7	Very high	94.4	Very high	60 Å²	60	26.3 Å²	26.3	39%	0.39	16%	0.155	S	C	.	.			trans	-58.2	156	172.2	-26.6	35.3	0	0	0	113.7	E788 K789 M790	P786-E788 WeakPolarHBondContact CB-OE1 3.4Å; P786-E788 WeakPolarHBondContact CB-OE2 3.45Å; P786-E788 PolarHBondContact O-N 3.34Å; P786-K789 HydrophobicContact CB-CG 4.24Å; P786-K789 HydrophobicContact CG-CG 4.36Å; P786-K789 WeakPolarHBondContact O-CB 3.45Å; P786-K789 PolarHBondContact O-N 2.7Å; P786-M790 PolarHBondContact O-N 2.98Å; P786-M790 VanDerWaalsContact O-N 3.12Å
787	P	94.1	Very high	94.5	Very high	12 Å²	12	26.3 Å²	26.3	8%	0.078	16%	0.155	C	C	.	.	H	α-helix	trans	-54.1	-43.9	-175.3	-27.5	35.6	0	0	0	114.8	L86 K89 Y757 K789 M790 Q791	L86-P787 HydrophobicContact CD1-CG 4.29Å; K89-P787 VanDerWaalsContact O-CB 3.23Å; K89-P787 WeakPolarHBondContact O-CB 3.43Å; Y757-P787 HydrophobicContact CE2-CB 4.2Å; Y757-P787 HydrophobicContact CE2-CG 4.32Å; Y757-P787 WeakPolarHBondContact OH-CA 3.1Å; P787-K789 VanDerWaalsContact C-N 3.25Å; P787-K789 PolarHBondContact O-N 2.95Å; P787-M790 PolarHBondContact O-N 2.93Å; P787-Q791 VanDerWaalsContact O-CB 3.3Å; P787-Q791 WeakPolarHBondContact O-CB 3.48Å; P787-Q791 WeakPolarHBondContact O-CG 3.4Å; P787-Q791 PolarHBondContact O-N 2.84Å
788	E	94.3	Very high	94.7	Very high	19 Å²	19	26 Å²	26	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-27.7	179.1	74.3	-64	161.5	0	0	113	D93 P786 K792	D93-E788 HydrophobicContact CB-CB 4Å; D93-E788 HydrophobicContact CB-CG 3.92Å; D93-E788 WeakPolarHBondContact OD1-CG 3.32Å; P786-E788 WeakPolarHBondContact CB-OE1 3.4Å; P786-E788 WeakPolarHBondContact CB-OE2 3.45Å; P786-E788 PolarHBondContact O-N 3.34Å; E788-K792 WeakPolarHBondContact O-CB 3.34Å; E788-K792 PolarHBondContact O-N 2.53Å
789	K	95	Very high	94.9	Very high	70 Å²	70	26 Å²	26	30%	0.304	15%	0.153	S	C	.	.	H	α-helix	trans	-75.7	-40.3	175.8	-49.8	-53.9	-176.2	-106.4	0	110.7	D93 P786 P787 K792 L793	D93-K789 VanDerWaalsContact CG-NZ 3.35Å; D93-K789 IonicContact OD1-NZ 2.75Å; D93-K789 PolarHBondContact OD1-NZ 2.8Å; D93-K789 IonicContact OD2-NZ 2.66Å; D93-K789 PolarHBondContact OD2-NZ 3.5Å; D93-K789 VanDerWaalsContact OD2-NZ 3.11Å; P786-K789 HydrophobicContact CB-CG 4.24Å; P786-K789 HydrophobicContact CG-CG 4.36Å; P786-K789 WeakPolarHBondContact O-CB 3.45Å; P786-K789 PolarHBondContact O-N 2.7Å; P787-K789 VanDerWaalsContact C-N 3.25Å; P787-K789 PolarHBondContact O-N 2.95Å; K789-K792 PolarHBondContact O-N 2.7Å; K789-L793 VanDerWaalsContact O-CB 3.3Å; K789-L793 WeakPolarHBondContact O-CB 3.23Å; K789-L793 PolarHBondContact O-N 2.94Å
790	M	95.5	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-41.7	171.8	-71.1	-61.4	-68.4	0	0	112.7	A722 I724 M783 L785 P786 P787 T794	A722-M790 HydrophobicContact CB-CE 3.55Å; I724-M790 HydrophobicContact CD1-CE 3.75Å; M783-M790 HydrophobicContact CB-SD 4.4Å; M783-M790 HydrophobicContact CG-SD 4.46Å; L785-M790 HydrophobicContact CB-CG 3.88Å; L785-M790 HydrophobicContact CB-SD 3.85Å; L785-M790 HydrophobicContact CD1-SD 3.74Å; L785-M790 HydrophobicContact CG-SD 4.41Å; P786-M790 PolarHBondContact O-N 2.98Å; P786-M790 VanDerWaalsContact O-N 3.12Å; P787-M790 PolarHBondContact O-N 2.93Å; M790-T794 WeakPolarHBondContact O-CB 3.42Å; M790-T794 PolarHBondContact O-N 3.03Å; M790-T794 PolarHBondContact O-OG1 3.44Å
791	Q	97.5	Very high	95.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-49.4	173.6	-74.8	167.6	12.5	0	0	111.9	I746 D748 F759 P787 T794 Y795	I746-Q791 HydrophobicContact CD1-CB 3.64Å; I746-Q791 HydrophobicContact CD1-CG 3.99Å; D748-Q791 PolarHBondContact OD2-NE2 2.84Å; F759-Q791 HydrophobicContact CD1-CG 4.04Å; F759-Q791 HydrophobicContact CD2-CG 3.9Å; F759-Q791 HydrophobicContact CE1-CG 4.04Å; F759-Q791 HydrophobicContact CE2-CB 4.45Å; F759-Q791 HydrophobicContact CE2-CG 3.91Å; F759-Q791 HydrophobicContact CG-CG 3.97Å; F759-Q791 HydrophobicContact CZ-CG 3.97Å; P787-Q791 VanDerWaalsContact O-CB 3.3Å; P787-Q791 WeakPolarHBondContact O-CB 3.48Å; P787-Q791 WeakPolarHBondContact O-CG 3.4Å; P787-Q791 PolarHBondContact O-N 2.84Å; Q791-T794 WeakPolarHBondContact O-CB 3.4Å; Q791-T794 PolarHBondContact O-N 2.91Å; Q791-Y795 PolarHBondContact O-N 3.45Å
792	K	97.1	Very high	95.6	Very high	62 Å²	62	21.2 Å²	21.2	27%	0.27	13%	0.128	S	C	.	.	H	α-helix	trans	-66.4	-37.4	179.6	-172.7	164.2	65	-171.8	0	112.5	D93 I438 E788 K789 Y795 K796	D93-K792 WeakPolarHBondContact OD2-CE 3.32Å; D93-K792 IonicContact OD2-NZ 2.72Å; D93-K792 PolarHBondContact OD2-NZ 3.18Å; I438-K792 HydrophobicContact CD1-CB 4.07Å; I438-K792 HydrophobicContact CG2-CD 4.42Å; I438-K792 HydrophobicContact CG2-CG 4.28Å; E788-K792 WeakPolarHBondContact O-CB 3.34Å; E788-K792 PolarHBondContact O-N 2.53Å; K789-K792 PolarHBondContact O-N 2.7Å; K792-Y795 PolarHBondContact O-N 3.39Å; K792-K796 WeakPolarHBondContact O-CG 3.19Å; K792-K796 PolarHBondContact O-N 2.78Å
793	L	97.4	Very high	95.7	Very high	6 Å²	6	21.9 Å²	21.9	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-47.9	169.5	176.6	59.2	0	0	0	111	L603 L605 L608 V681 K789 Y795 K796 M797	L603-L793 HydrophobicContact CD1-CD1 3.58Å; L605-L793 HydrophobicContact CD1-CD1 4.25Å; L605-L793 HydrophobicContact CD1-CD2 3.86Å; L608-L793 HydrophobicContact CD2-CD1 4.06Å; L608-L793 HydrophobicContact CD2-CD2 4.25Å; V681-L793 HydrophobicContact CG2-CD2 4.07Å; K789-L793 VanDerWaalsContact O-CB 3.3Å; K789-L793 WeakPolarHBondContact O-CB 3.23Å; K789-L793 PolarHBondContact O-N 2.94Å; L793-Y795 VanDerWaalsContact C-N 3.31Å; L793-Y795 PolarHBondContact O-N 3.48Å; L793-K796 WeakPolarHBondContact O-CB 3.22Å; L793-K796 PolarHBondContact O-N 3.34Å; L793-M797 HydrophobicContact CD1-CG 4.24Å; L793-M797 WeakPolarHBondContact O-CG 3.41Å; L793-M797 PolarHBondContact O-N 3.02Å
794	T	98.1	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.1	-41.8	178	-58	0	0	0	0	111.9	Y683 F759 L761 Y776 M790 Q791 M797 C798 P811	Y683-T794 HydrophobicContact CE1-CG2 3.95Å; Y683-T794 VanDerWaalsContact OH-CA 3.28Å; Y683-T794 WeakPolarHBondContact OH-CA 3.41Å; Y683-T794 WeakPolarHBondContact OH-CB 3.35Å; Y683-T794 PolarHBondContact OH-OG1 3.33Å; F759-T794 HydrophobicContact CE2-CG2 4.48Å; F759-T794 HydrophobicContact CZ-CG2 4.29Å; L761-T794 HydrophobicContact CD2-CG2 4.21Å; Y776-T794 HydrophobicContact CD1-CG2 3.64Å; Y776-T794 HydrophobicContact CD2-CG2 4.36Å; Y776-T794 HydrophobicContact CE1-CG2 3.33Å; Y776-T794 HydrophobicContact CE2-CG2 4.11Å; Y776-T794 HydrophobicContact CG-CG2 4.14Å; M790-T794 WeakPolarHBondContact O-CB 3.42Å; M790-T794 PolarHBondContact O-N 3.03Å; M790-T794 PolarHBondContact O-OG1 3.44Å; Q791-T794 WeakPolarHBondContact O-CB 3.4Å; Q791-T794 PolarHBondContact O-N 2.91Å; T794-M797 PolarHBondContact O-N 2.89Å; T794-C798 PolarHBondContact O-N 3.4Å; T794-C798 PolarHBondContact O-SG 3.21Å; T794-P811 HydrophobicContact CG2-CG 4.3Å
795	Y	98.2	Very high	96.3	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.027	11%	0.113	C	C	.	.	H	α-helix	trans	-66.6	-43.6	174.5	-173.9	-134.9	0	0	0	112.6	I438 Q441 P743 G744 L761 Q791 K792 L793 M797 C798 H799 T807	I438-Y795 HydrophobicContact CB-CD1 4.03Å; I438-Y795 HydrophobicContact CB-CE1 4.33Å; I438-Y795 HydrophobicContact CG2-CD1 3.86Å; I438-Y795 HydrophobicContact CG2-CE1 4.3Å; Q441-Y795 HydrophobicContact CG-CD1 4.12Å; Q441-Y795 HydrophobicContact CG-CE1 4.03Å; P743-Y795 VanDerWaalsContact C-OH 3.3Å; P743-Y795 WeakPolarHBondContact CB-OH 3.45Å; G744-Y795 VanDerWaalsContact CA-CZ 3.47Å; G744-Y795 PolarHBondContact N-OH 2.78Å; L761-Y795 HydrophobicContact CD1-CD2 4.07Å; L761-Y795 HydrophobicContact CD1-CG 4.41Å; L761-Y795 HydrophobicContact CD2-CD2 4.29Å; Q791-Y795 PolarHBondContact O-N 3.45Å; K792-Y795 PolarHBondContact O-N 3.39Å; L793-Y795 VanDerWaalsContact C-N 3.31Å; L793-Y795 PolarHBondContact O-N 3.48Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.23Å; Y795-C798 VanDerWaalsContact O-CB 3.32Å; Y795-C798 WeakPolarHBondContact O-CB 3.24Å; Y795-C798 PolarHBondContact O-N 3.36Å; Y795-H799 AromaticContact CD2-CE1 3.9Å; Y795-H799 AromaticContact CE1-CE1 3.82Å; Y795-H799 AromaticContact CE2-CE1 3.67Å; Y795-H799 AromaticContact CZ-CE1 3.64Å; Y795-H799 PolarHBondContact O-CE1 2.83Å; Y795-H799 VanDerWaalsContact O-CE1 3.31Å; Y795-H799 PolarHBondContact O-ND1 2.86Å; Y795-T807 HydrophobicContact CE2-CG2 3.98Å
796	K	97.9	Very high	96.5	Very high	18 Å²	18	21.5 Å²	21.5	8%	0.078	10%	0.102	C	C	.	.	H	α-helix	trans	-55.3	-45	172.5	-77.2	177.2	177.7	-66.3	0	111.7	Q441 I601 E602 K792 L793 C798 H799	Q441-K796 VanDerWaalsContact OE1-CG 3.28Å; I601-K796 HydrophobicContact CG1-CB 3.98Å; I601-K796 HydrophobicContact CG1-CD 4.49Å; I601-K796 HydrophobicContact CG1-CG 3.91Å; I601-K796 HydrophobicContact CG2-CB 4.3Å; E602-K796 WeakPolarHBondContact O-CD 3.18Å; E602-K796 WeakPolarHBondContact O-CE 3.49Å; E602-K796 PolarHBondContact O-NZ 3.28Å; K792-K796 WeakPolarHBondContact O-CG 3.19Å; K792-K796 PolarHBondContact O-N 2.78Å; L793-K796 WeakPolarHBondContact O-CB 3.22Å; L793-K796 PolarHBondContact O-N 3.34Å; K796-C798 PolarHBondContact O-N 3.08Å; K796-H799 WeakPolarHBondContact O-CB 3.3Å; K796-H799 PolarHBondContact O-N 3.42Å; K796-H799 PolarHBondContact O-ND1 3.45Å
797	M	98.2	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-19.1	177.6	-65.1	-51.5	-56.3	0	0	113.9	T610 L635 Y683 L793 T794 Y795 H799 L800 P811 A812	T610-M797 HydrophobicContact CG2-CE 3.85Å; T610-M797 HydrophobicContact CG2-CG 4.3Å; T610-M797 HydrophobicContact CG2-SD 4.39Å; L635-M797 HydrophobicContact CD1-CE 3.91Å; L635-M797 HydrophobicContact CD1-SD 4.14Å; Y683-M797 HydrophobicContact CE2-CG 4.44Å; L793-M797 HydrophobicContact CD1-CG 4.24Å; L793-M797 WeakPolarHBondContact O-CG 3.41Å; L793-M797 PolarHBondContact O-N 3.02Å; T794-M797 PolarHBondContact O-N 2.89Å; Y795-M797 VanDerWaalsContact C-N 3.31Å; Y795-M797 PolarHBondContact O-N 3.23Å; M797-H799 VanDerWaalsContact C-N 3.26Å; M797-H799 PolarHBondContact O-N 3.13Å; M797-L800 HydrophobicContact CE-CD1 3.87Å; M797-L800 HydrophobicContact SD-CD1 4.04Å; M797-P811 HydrophobicContact CB-CB 3.98Å; M797-A812 WeakPolarHBondContact O-CB 3.48Å; M797-A812 PolarHBondContact O-N 3.41Å
798	C	98.2	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6	171	-69.3	0	0	0	0	114.5	T794 Y795 K796 T807 T808 V810	T794-C798 PolarHBondContact O-N 3.4Å; T794-C798 PolarHBondContact O-SG 3.21Å; Y795-C798 VanDerWaalsContact O-CB 3.32Å; Y795-C798 WeakPolarHBondContact O-CB 3.24Å; Y795-C798 PolarHBondContact O-N 3.36Å; K796-C798 PolarHBondContact O-N 3.08Å; C798-T807 WeakPolarHBondContact O-CA 3.49Å; C798-T808 WeakPolarHBondContact CB-O 3.42Å; C798-T808 PolarHBondContact O-N 3.18Å; C798-T808 PolarHBondContact O-OG1 2.93Å; C798-V810 VanDerWaalsContact SG-C 3.53Å
799	H	98.3	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8	179.8	-63.7	70	0	0	0	113.8	I443 W458 W599 I601 Y795 K796 M797 T807	I443-H799 HydrophobicContact CD1-CB 4.32Å; W458-H799 HydrophobicContact CH2-CB 3.86Å; W458-H799 AromaticContact CH2-CD2 3.7Å; W458-H799 HydrophobicContact CZ2-CB 4.48Å; W458-H799 WeakPolarHBondContact CZ2-O 3.15Å; W458-H799 AromaticContact CZ3-CD2 3.67Å; W599-H799 PolarHBondContact NE1-O 2.79Å; I601-H799 HydrophobicContact CD1-CB 4.1Å; Y795-H799 AromaticContact CD2-CE1 3.9Å; Y795-H799 AromaticContact CE1-CE1 3.82Å; Y795-H799 AromaticContact CE2-CE1 3.67Å; Y795-H799 AromaticContact CZ-CE1 3.64Å; Y795-H799 PolarHBondContact O-CE1 2.83Å; Y795-H799 VanDerWaalsContact O-CE1 3.31Å; Y795-H799 PolarHBondContact O-ND1 2.86Å; K796-H799 WeakPolarHBondContact O-CB 3.3Å; K796-H799 PolarHBondContact O-N 3.42Å; K796-H799 PolarHBondContact O-ND1 3.45Å; M797-H799 VanDerWaalsContact C-N 3.26Å; M797-H799 PolarHBondContact O-N 3.13Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.49Å
800	L	98.2	Very high	96.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.072	C	C	.	.			trans	-102.4	22	-166.2	-63.2	177.2	0	0	0	114.9	M600 I601 L635 M797 Y802 A812 Y816	M600-L800 HydrophobicContact SD-CD1 4.34Å; M600-L800 HydrophobicContact SD-CD2 3.77Å; I601-L800 HydrophobicContact CB-CD2 3.96Å; I601-L800 HydrophobicContact CB-CG 4.43Å; I601-L800 HydrophobicContact CG2-CD1 3.85Å; I601-L800 HydrophobicContact CG2-CD2 3.93Å; I601-L800 HydrophobicContact CG2-CG 4.05Å; L635-L800 HydrophobicContact CD1-CD1 3.85Å; M797-L800 HydrophobicContact CE-CD1 3.87Å; M797-L800 HydrophobicContact SD-CD1 4.04Å; L800-Y802 HydrophobicContact CD2-CE1 4.46Å; L800-A812 HydrophobicContact CB-CB 3.77Å; L800-A812 WeakPolarHBondContact O-CB 3.36Å; L800-Y816 WeakPolarHBondContact O-CE2 3.31Å; L800-Y816 PolarHBondContact O-OH 3.21Å
801	Y	98.2	Very high	97.1	Very high	21 Å²	21	16.6 Å²	16.6	8%	0.082	7%	0.072	C	C	.	.			trans	-97.1	93	178.8	178.4	-104.8	0	0	0	111.2	N803 W804 T808 Q815 Y816 L843	Y801-N803 HydrophobicContact CD1-CB 4.37Å; Y801-N803 HydrophobicContact CE1-CB 3.66Å; Y801-N803 PolarHBondContact O-N 2.86Å; Y801-W804 HydrophobicContact CD1-CB 3.86Å; Y801-W804 HydrophobicContact CE1-CB 4.28Å; Y801-W804 PolarHBondContact O-N 3.47Å; Y801-W804 VanDerWaalsContact O-O 3.07Å; Y801-T808 HydrophobicContact CD1-CG2 3.59Å; Y801-T808 HydrophobicContact CG-CG2 3.94Å; Y801-Q815 HydrophobicContact CD1-CG 4.16Å; Y801-Q815 HydrophobicContact CD2-CB 3.87Å; Y801-Q815 HydrophobicContact CD2-CG 3.79Å; Y801-Q815 HydrophobicContact CE1-CG 4.07Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.71Å; Y801-Q815 HydrophobicContact CG-CB 4.27Å; Y801-Q815 HydrophobicContact CG-CG 4.02Å; Y801-Y816 AromaticContact CD2-CD1 3.62Å; Y801-Y816 HydrophobicContact CD2-CD1 3.62Å; Y801-Y816 AromaticContact CD2-CE1 3.52Å; Y801-Y816 HydrophobicContact CD2-CE1 3.52Å; Y801-Y816 HydrophobicContact CD2-CE2 4.41Å; Y801-Y816 HydrophobicContact CD2-CG 4.13Å; Y801-Y816 AromaticContact CD2-CZ 3.94Å; Y801-Y816 AromaticContact CE2-CD1 3.65Å; Y801-Y816 HydrophobicContact CE2-CD1 3.65Å; Y801-Y816 AromaticContact CE2-CE1 3.8Å; Y801-Y816 HydrophobicContact CE2-CE1 3.8Å; Y801-Y816 HydrophobicContact CE2-CG 4.41Å; Y801-L843 HydrophobicContact CE2-CD2 4.01Å
802	Y	97.9	Very high	97.1	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.016	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.2	-165.5	-53.1	-40.2	0	0	0	117.3	I588 C592 T597 P598 W599 Y641 L800 W804 Y816 F840	I588-Y802 WeakPolarHBondContact CG2-O 3.21Å; C592-Y802 WeakPolarHBondContact SG-CB 3.45Å; T597-Y802 HydrophobicContact CG2-CE1 4.34Å; T597-Y802 HydrophobicContact CG2-CE2 4.01Å; T597-Y802 WeakPolarHBondContact CG2-OH 3.45Å; P598-Y802 HydrophobicContact CG-CG 4.16Å; W599-Y802 AromaticContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CD1 3.84Å; W599-Y802 HydrophobicContact CD2-CE1 4.24Å; W599-Y802 AromaticContact CE2-CD1 3.69Å; W599-Y802 HydrophobicContact CE3-CD1 4.1Å; W599-Y802 HydrophobicContact CG-CD1 4.43Å; W599-Y802 HydrophobicContact CG-CE1 4.37Å; W599-Y802 VanDerWaalsContact CH2-CA 3.48Å; W599-Y802 HydrophobicContact CH2-CD1 4.2Å; W599-Y802 AromaticContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ2-CD1 3.9Å; W599-Y802 HydrophobicContact CZ3-CD1 4.27Å; W599-Y802 WeakPolarHBondContact O-CE1 3.46Å; W599-Y802 PolarHBondContact O-OH 3.35Å; Y641-Y802 HydrophobicContact CE2-CE2 4.28Å; L800-Y802 HydrophobicContact CD2-CE1 4.46Å; Y802-W804 VanDerWaalsContact C-N 3.27Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.43Å; Y802-Y816 WeakPolarHBondContact CE2-OH 3.33Å; Y802-Y816 VanDerWaalsContact CG-OH 3.27Å; Y802-Y816 PolarHBondContact N-OH 2.91Å; Y802-F840 HydrophobicContact CD2-CD2 4.44Å; Y802-F840 AromaticContact CD2-CE2 3.75Å; Y802-F840 HydrophobicContact CD2-CE2 3.75Å; Y802-F840 AromaticContact CD2-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CZ 3.82Å; Y802-F840 AromaticContact CE2-CE2 3.74Å; Y802-F840 HydrophobicContact CE2-CE2 3.74Å; Y802-F840 AromaticContact CE2-CZ 3.67Å; Y802-F840 HydrophobicContact CE2-CZ 3.67Å
803	N	95.9	Very high	97.2	Very high	59 Å²	59	13.6 Å²	13.6	32%	0.316	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.4	173.3	-149.4	2.6	0	0	0	112.9	Y801 L843	Y801-N803 HydrophobicContact CD1-CB 4.37Å; Y801-N803 HydrophobicContact CE1-CB 3.66Å; Y801-N803 PolarHBondContact O-N 2.86Å; N803-L843 HydrophobicContact CB-CD1 4.36Å; N803-L843 HydrophobicContact CB-CD2 4.08Å
804	W	95.4	Very high	97.2	Very high	103 Å²	103	13.3 Å²	13.3	39%	0.39	6%	0.058	S	C	.	.	S	Bend	trans	-142.4	117.7	173.4	-174.3	-105.6	0	0	0	109.8	W599 Y801 Y802 G806 T807 T808	W599-W804 WeakPolarHBondContact CH2-O 3.4Å; W599-W804 VanDerWaalsContact CZ2-O 3.32Å; W599-W804 WeakPolarHBondContact CZ2-O 3.5Å; Y801-W804 HydrophobicContact CD1-CB 3.86Å; Y801-W804 HydrophobicContact CE1-CB 4.28Å; Y801-W804 PolarHBondContact O-N 3.47Å; Y801-W804 VanDerWaalsContact O-O 3.07Å; Y802-W804 VanDerWaalsContact C-N 3.27Å; W804-G806 VanDerWaalsContact CD1-O 3.3Å; W804-G806 PolarHBondContact O-N 2.92Å; W804-T807 PolarHBondContact NE1-O 2.8Å; W804-T808 HydrophobicContact CB-CG2 4.26Å; W804-T808 HydrophobicContact CG-CG2 4.47Å
805	S	93.4	Very high	97.2	Very high	10 Å²	10	15.1 Å²	15.1	7%	0.07	7%	0.066	C	C	.	.	S	Bend	trans	-78.1	51.1	-178.1	54.2	0	0	0	0	112.5	W458 Q459	W458-S805 PolarHBondContact N-O 3.37Å; Q459-S805 VanDerWaalsContact CB-OG 3.25Å; Q459-S805 WeakPolarHBondContact CB-OG 3.42Å; Q459-S805 VanDerWaalsContact CG-OG 3.32Å; Q459-S805 WeakPolarHBondContact CG-OG 3.27Å
806	G	95.8	Very high	97.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-176.3	179.8	-172.4	0	0	0	0	0	110.9	A456 W458 W804	A456-G806 CarbonylContact O-C 3.58Å; A456-G806 WeakPolarHBondContact O-CA 3.4Å; W458-G806 WeakPolarHBondContact CH2-O 3.27Å; W804-G806 VanDerWaalsContact CD1-O 3.3Å; W804-G806 PolarHBondContact O-N 2.92Å
807	T	96.8	Very high	97.2	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.012	6%	0.061	C	C	.	.			trans	-68.2	140.9	174.2	42.9	0	0	0	0	113.4	A456 S763 Q764 Y795 C798 H799 W804	A456-T807 HydrophobicContact CB-CG2 3.7Å; A456-T807 WeakPolarHBondContact CB-OG1 3.11Å; A456-T807 PolarHBondContact O-N 2.95Å; S763-T807 WeakPolarHBondContact O-CB 3.43Å; S763-T807 PolarHBondContact O-OG1 2.96Å; Q764-T807 WeakPolarHBondContact CG-O 3.25Å; Q764-T807 PolarHBondContact NE2-O 2.86Å; Y795-T807 HydrophobicContact CE2-CG2 3.98Å; C798-T807 WeakPolarHBondContact O-CA 3.49Å; H799-T807 WeakPolarHBondContact NE2-CG2 3.49Å; W804-T807 PolarHBondContact NE1-O 2.8Å
808	T	96.4	Very high	97.1	Very high	7 Å²	7	16.8 Å²	16.8	4%	0.043	7%	0.074	C	C	.	.			trans	-101.6	150.5	170.9	50.9	0	0	0	0	113.5	S763 C798 Y801 W804 V810	S763-T808 WeakPolarHBondContact CB-O 3.15Å; S763-T808 PolarHBondContact OG-O 3.05Å; C798-T808 WeakPolarHBondContact CB-O 3.42Å; C798-T808 PolarHBondContact O-N 3.18Å; C798-T808 PolarHBondContact O-OG1 2.93Å; Y801-T808 HydrophobicContact CD1-CG2 3.59Å; Y801-T808 HydrophobicContact CG-CG2 3.94Å; W804-T808 HydrophobicContact CB-CG2 4.26Å; W804-T808 HydrophobicContact CG-CG2 4.47Å; T808-V810 PolarHBondContact O-N 2.76Å; T808-V810 VanDerWaalsContact O-N 3.09Å; T808-V810 PolarHBondContact OG1-O 3.15Å
809	R	94.6	Very high	97	Very high	48 Å²	48	19.2 Å²	19.2	18%	0.181	8%	0.084	C	C	.	.	S	Bend	trans	-56.9	-23.9	-179.7	-179.8	170.1	-178.1	-163.5	2.3	115.3	R728 S729 S763 Q764 S772 P773 T774	R728-R809 PolarHBondContact O-NH2 3.06Å; S729-R809 PolarHBondContact O-NH2 3.14Å; S763-R809 VanDerWaalsContact OG-CA 3.28Å; S763-R809 WeakPolarHBondContact OG-CA 3.34Å; S763-R809 PolarHBondContact OG-O 3.37Å; Q764-R809 HydrophobicContact CB-CB 4.33Å; S772-R809 VanDerWaalsContact O-CZ 3.23Å; S772-R809 PolarHBondContact O-NE 3.44Å; S772-R809 PolarHBondContact O-NH2 2.89Å; P773-R809 PolarHBondContact O-NH2 2.72Å; T774-R809 WeakPolarHBondContact CB-O 3.47Å; T774-R809 WeakPolarHBondContact OG1-CG 3.49Å; T774-R809 PolarHBondContact OG1-NE 2.77Å; T774-R809 PolarHBondContact OG1-O 2.84Å
810	V	96.8	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-129.4	165.7	176.4	-59.5	0	0	0	0	109.4	V726 R728 T774 C798 T808 C814 Q815	V726-V810 HydrophobicContact CG1-CB 4.17Å; V726-V810 HydrophobicContact CG1-CG1 3.79Å; R728-V810 HydrophobicContact CG-CG1 4.15Å; T774-V810 HydrophobicContact CG2-CG1 4.24Å; C798-V810 VanDerWaalsContact SG-C 3.53Å; T808-V810 PolarHBondContact O-N 2.76Å; T808-V810 VanDerWaalsContact O-N 3.09Å; T808-V810 PolarHBondContact OG1-O 3.15Å; V810-C814 HydrophobicContact CB-CB 4.18Å; V810-C814 HydrophobicContact CG2-CB 3.8Å; V810-Q815 HydrophobicContact CG2-CB 3.91Å
811	P	98.3	Very high	96.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	8%	0.084	C	C	.	.			trans	-57.3	147	174.5	-26.1	37.8	0	0	0	111.4	Y683 Y776 T794 M797 V813 C814 Q815	Y683-P811 HydrophobicContact CD1-CG 3.88Å; Y683-P811 HydrophobicContact CD2-CB 4.1Å; Y683-P811 HydrophobicContact CD2-CG 4.16Å; Y683-P811 HydrophobicContact CE1-CG 3.9Å; Y683-P811 HydrophobicContact CE2-CB 4.19Å; Y683-P811 HydrophobicContact CE2-CG 4.18Å; Y683-P811 HydrophobicContact CG-CB 4.34Å; Y683-P811 HydrophobicContact CG-CG 4Å; Y776-P811 HydrophobicContact CE1-CG 3.9Å; T794-P811 HydrophobicContact CG2-CG 4.3Å; M797-P811 HydrophobicContact CB-CB 3.98Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.32Å; P811-V813 PolarHBondContact O-N 2.86Å; P811-C814 WeakPolarHBondContact O-CB 3.46Å; P811-C814 PolarHBondContact O-N 3.34Å; P811-Q815 PolarHBondContact O-N 3.48Å
812	A	98.3	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-54.9	-41.3	-173.2	0	0	0	0	0	112.7	M797 L800 C814 Q815 Y816	M797-A812 WeakPolarHBondContact O-CB 3.48Å; M797-A812 PolarHBondContact O-N 3.41Å; L800-A812 HydrophobicContact CB-CB 3.77Å; L800-A812 WeakPolarHBondContact O-CB 3.36Å; A812-C814 VanDerWaalsContact C-N 3.34Å; A812-C814 PolarHBondContact O-N 3.4Å; A812-Q815 CarbonylContact O-C 3.58Å; A812-Q815 PolarHBondContact O-N 2.87Å; A812-Y816 HydrophobicContact CB-CD2 4.2Å; A812-Y816 HydrophobicContact CB-CE2 3.86Å; A812-Y816 WeakPolarHBondContact O-CB 3.2Å; A812-Y816 WeakPolarHBondContact O-CD2 3.29Å; A812-Y816 PolarHBondContact O-N 3.27Å
813	V	98.4	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-38.8	177.1	-65.5	0	0	0	0	113.3	T610 I630 Y641 Y683 P811 A817	T610-V813 HydrophobicContact CG2-CG1 4.45Å; T610-V813 HydrophobicContact CG2-CG2 4.07Å; I630-V813 HydrophobicContact CG2-CG1 4.42Å; Y641-V813 HydrophobicContact CD1-CG1 4.23Å; Y641-V813 HydrophobicContact CE1-CG1 3.76Å; Y683-V813 HydrophobicContact CD2-CG2 4.05Å; P811-V813 VanDerWaalsContact C-N 3.26Å; P811-V813 HydrophobicContact CB-CG2 4.32Å; P811-V813 PolarHBondContact O-N 2.86Å; V813-A817 VanDerWaalsContact O-CB 3.25Å; V813-A817 WeakPolarHBondContact O-CB 3.49Å; V813-A817 PolarHBondContact O-N 2.94Å
814	C	97.8	Very high	96.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.3	-41	172.8	-61.2	0	0	0	0	111.4	Y683 D685 V810 P811 A812 A817 K818	Y683-C814 WeakPolarHBondContact CB-SG 3.36Å; D685-C814 HydrophobicContact CB-CB 4.33Å; V810-C814 HydrophobicContact CB-CB 4.18Å; V810-C814 HydrophobicContact CG2-CB 3.8Å; P811-C814 WeakPolarHBondContact O-CB 3.46Å; P811-C814 PolarHBondContact O-N 3.34Å; A812-C814 VanDerWaalsContact C-N 3.34Å; A812-C814 PolarHBondContact O-N 3.4Å; C814-A817 PolarHBondContact O-N 2.88Å; C814-K818 VanDerWaalsContact O-CB 3.3Å; C814-K818 WeakPolarHBondContact O-CB 3.49Å; C814-K818 PolarHBondContact O-N 3.05Å
815	Q	97.8	Very high	96.7	Very high	38 Å²	38	13.5 Å²	13.5	18%	0.178	7%	0.065	C	C	.	.	H	α-helix	trans	-73.6	-31	-177.6	-165.7	48.4	60.2	0	0	112.3	Y801 V810 P811 A812 K819	Y801-Q815 HydrophobicContact CD1-CG 4.16Å; Y801-Q815 HydrophobicContact CD2-CB 3.87Å; Y801-Q815 HydrophobicContact CD2-CG 3.79Å; Y801-Q815 HydrophobicContact CE1-CG 4.07Å; Y801-Q815 HydrophobicContact CE2-CB 4.14Å; Y801-Q815 HydrophobicContact CE2-CG 3.71Å; Y801-Q815 HydrophobicContact CG-CB 4.27Å; Y801-Q815 HydrophobicContact CG-CG 4.02Å; V810-Q815 HydrophobicContact CG2-CB 3.91Å; P811-Q815 PolarHBondContact O-N 3.48Å; A812-Q815 CarbonylContact O-C 3.58Å; A812-Q815 PolarHBondContact O-N 2.87Å; Q815-K819 WeakPolarHBondContact O-CB 3.3Å; Q815-K819 PolarHBondContact O-N 2.98Å; Q815-K819 VanDerWaalsContact O-N 3.13Å
816	Y	98.6	Very high	96.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.4	-48.8	167.1	-69.8	-51.9	0	0	0	111.7	I630 L800 Y801 Y802 A812 K818 K819 L820 F840 Y842 L843	I630-Y816 HydrophobicContact CG2-CD2 4.46Å; L800-Y816 WeakPolarHBondContact O-CE2 3.31Å; L800-Y816 PolarHBondContact O-OH 3.21Å; Y801-Y816 AromaticContact CD2-CD1 3.62Å; Y801-Y816 HydrophobicContact CD2-CD1 3.62Å; Y801-Y816 AromaticContact CD2-CE1 3.52Å; Y801-Y816 HydrophobicContact CD2-CE1 3.52Å; Y801-Y816 HydrophobicContact CD2-CE2 4.41Å; Y801-Y816 HydrophobicContact CD2-CG 4.13Å; Y801-Y816 AromaticContact CD2-CZ 3.94Å; Y801-Y816 AromaticContact CE2-CD1 3.65Å; Y801-Y816 HydrophobicContact CE2-CD1 3.65Å; Y801-Y816 AromaticContact CE2-CE1 3.8Å; Y801-Y816 HydrophobicContact CE2-CE1 3.8Å; Y801-Y816 HydrophobicContact CE2-CG 4.41Å; Y802-Y816 WeakPolarHBondContact CD2-OH 3.43Å; Y802-Y816 WeakPolarHBondContact CE2-OH 3.33Å; Y802-Y816 VanDerWaalsContact CG-OH 3.27Å; Y802-Y816 PolarHBondContact N-OH 2.91Å; A812-Y816 HydrophobicContact CB-CD2 4.2Å; A812-Y816 HydrophobicContact CB-CE2 3.86Å; A812-Y816 WeakPolarHBondContact O-CB 3.2Å; A812-Y816 WeakPolarHBondContact O-CD2 3.29Å; A812-Y816 PolarHBondContact O-N 3.27Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 3.38Å; Y816-K819 WeakPolarHBondContact O-CB 3.44Å; Y816-K819 PolarHBondContact O-N 3.38Å; Y816-K819 VanDerWaalsContact O-N 3.08Å; Y816-L820 PolarHBondContact O-N 3.23Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.87Å; Y816-F840 HydrophobicContact CD1-CE1 3.87Å; Y816-F840 HydrophobicContact CD2-CE1 4.05Å; Y816-F840 AromaticContact CE1-CD1 3.62Å; Y816-F840 HydrophobicContact CE1-CD1 3.62Å; Y816-F840 AromaticContact CE1-CE1 3.43Å; Y816-F840 HydrophobicContact CE1-CE1 3.43Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.43Å; Y816-F840 HydrophobicContact CE1-CZ 4.34Å; Y816-F840 AromaticContact CE2-CE1 3.66Å; Y816-F840 HydrophobicContact CE2-CE1 3.66Å; Y816-F840 HydrophobicContact CE2-CZ 4.19Å; Y816-F840 HydrophobicContact CG-CE1 4.17Å; Y816-F840 AromaticContact CZ-CD1 3.99Å; Y816-F840 AromaticContact CZ-CE1 3.3Å; Y816-F840 AromaticContact CZ-CZ 3.86Å; Y816-Y842 AromaticContact CD1-CE2 3.94Å; Y816-Y842 HydrophobicContact CD1-CE2 3.94Å; Y816-Y842 HydrophobicContact CG-CE2 4.36Å; Y816-L843 HydrophobicContact CD1-CD2 3.99Å; Y816-L843 HydrophobicContact CE1-CD1 4.26Å; Y816-L843 HydrophobicContact CE1-CD2 3.97Å
817	A	97.4	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-56	-48.9	177.4	0	0	0	0	0	110.9	D614 A628 I630 V813 C814 K819 L820 A821	D614-A817 HydrophobicContact CB-CB 4.08Å; A628-A817 WeakPolarHBondContact O-CB 3.4Å; I630-A817 HydrophobicContact CG1-CB 3.89Å; V813-A817 VanDerWaalsContact O-CB 3.25Å; V813-A817 WeakPolarHBondContact O-CB 3.49Å; V813-A817 PolarHBondContact O-N 2.94Å; C814-A817 PolarHBondContact O-N 2.88Å; A817-K819 VanDerWaalsContact C-N 3.33Å; A817-K819 PolarHBondContact O-N 2.62Å; A817-L820 PolarHBondContact O-N 3.39Å; A817-A821 WeakPolarHBondContact O-CB 3.49Å; A817-A821 PolarHBondContact O-N 3.47Å
818	K	96.2	Very high	96.6	Very high	61 Å²	61	16.7 Å²	16.7	27%	0.265	8%	0.084	S	C	.	.	H	α-helix	trans	-55.4	-46.1	174.1	-173	164.8	-140.5	76.7	0	112.5	D614 C814 Y816 T822	D614-K818 HydrophobicContact CB-CB 4.33Å; D614-K818 IonicContact OD1-NZ 3.05Å; D614-K818 WeakPolarHBondContact OD2-CA 3.48Å; D614-K818 WeakPolarHBondContact OD2-CB 2.94Å; D614-K818 WeakPolarHBondContact OD2-CG 3.3Å; D614-K818 IonicContact OD2-NZ 2.68Å; D614-K818 PolarHBondContact OD2-NZ 3.2Å; C814-K818 VanDerWaalsContact O-CB 3.3Å; C814-K818 WeakPolarHBondContact O-CB 3.49Å; C814-K818 PolarHBondContact O-N 3.05Å; Y816-K818 VanDerWaalsContact C-N 3.33Å; Y816-K818 PolarHBondContact O-N 3.38Å; K818-T822 WeakPolarHBondContact O-CB 3.48Å; K818-T822 PolarHBondContact O-N 3.32Å; K818-T822 PolarHBondContact O-OG1 3.26Å
819	K	97.8	Very high	96.5	Very high	50 Å²	50	18.1 Å²	18.1	22%	0.217	9%	0.09	C	C	.	.	H	α-helix	trans	-65.1	-41.6	-178.3	-174.7	60.6	165.2	69	0	111.5	Q815 Y816 A817 L823 Y842 L843	Q815-K819 WeakPolarHBondContact O-CB 3.3Å; Q815-K819 PolarHBondContact O-N 2.98Å; Q815-K819 VanDerWaalsContact O-N 3.13Å; Y816-K819 WeakPolarHBondContact O-CB 3.44Å; Y816-K819 PolarHBondContact O-N 3.38Å; Y816-K819 VanDerWaalsContact O-N 3.08Å; A817-K819 VanDerWaalsContact C-N 3.33Å; A817-K819 PolarHBondContact O-N 2.62Å; K819-L823 WeakPolarHBondContact O-CB 3.36Å; K819-L823 PolarHBondContact O-N 3.49Å; K819-L823 VanDerWaalsContact O-N 3.08Å; K819-Y842 HydrophobicContact CB-CD2 4.31Å; K819-Y842 HydrophobicContact CG-CD2 4.22Å; K819-Y842 WeakPolarHBondContact CG-O 3.48Å; K819-Y842 PolarHBondContact NZ-O 3.14Å; K819-L843 VanDerWaalsContact CE-O 3.23Å; K819-L843 WeakPolarHBondContact CE-O 3.33Å; K819-L843 HydrophobicContact CG-CD2 4.28Å; K819-L843 PolarHBondContact NZ-O 2.69Å
820	L	98.1	Very high	96.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69	-52	177.1	177.6	52.7	0	0	0	112.1	A628 I630 V645 Y816 A817 T822 L823 V824 Y841 Y842	A628-L820 HydrophobicContact CB-CB 4.01Å; A628-L820 HydrophobicContact CB-CD2 4.06Å; A628-L820 HydrophobicContact CB-CG 3.83Å; I630-L820 HydrophobicContact CD1-CD2 3.77Å; V645-L820 HydrophobicContact CG2-CD1 3.76Å; V645-L820 HydrophobicContact CG2-CD2 3.53Å; V645-L820 HydrophobicContact CG2-CG 3.48Å; V645-L820 VanDerWaalsContact CG2-CG 3.48Å; Y816-L820 PolarHBondContact O-N 3.23Å; A817-L820 PolarHBondContact O-N 3.39Å; L820-T822 VanDerWaalsContact C-N 3.31Å; L820-T822 PolarHBondContact O-N 2.86Å; L820-L823 PolarHBondContact O-N 3.48Å; L820-V824 HydrophobicContact CD1-CG2 4.13Å; L820-V824 WeakPolarHBondContact O-CG2 3.38Å; L820-V824 PolarHBondContact O-N 3.29Å; L820-Y841 HydrophobicContact CD1-CE2 4.02Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.32Å; L820-Y842 HydrophobicContact CB-CD1 4.23Å; L820-Y842 HydrophobicContact CB-CD2 3.82Å; L820-Y842 HydrophobicContact CB-CE2 4.25Å; L820-Y842 HydrophobicContact CB-CG 3.81Å; L820-Y842 HydrophobicContact CD1-CD1 3.94Å; L820-Y842 HydrophobicContact CD1-CG 3.91Å; L820-Y842 HydrophobicContact CD2-CD1 4.09Å; L820-Y842 HydrophobicContact CD2-CE1 4.21Å; L820-Y842 HydrophobicContact CD2-CG 4.5Å; L820-Y842 HydrophobicContact CG-CD1 4.31Å; L820-Y842 HydrophobicContact CG-CG 4.27Å
821	A	95.4	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.5	-45.3	176.4	0	0	0	0	0	111.6	A616 A628 A817 L823 V824 G825	A616-A821 VanDerWaalsContact CB-C 3.46Å; A616-A821 HydrophobicContact CB-CB 3.79Å; A616-A821 WeakPolarHBondContact CB-O 3.46Å; A628-A821 HydrophobicContact CB-CB 3.76Å; A817-A821 WeakPolarHBondContact O-CB 3.49Å; A817-A821 PolarHBondContact O-N 3.47Å; A821-L823 PolarHBondContact O-N 3.26Å; A821-V824 PolarHBondContact O-N 3Å; A821-G825 PolarHBondContact O-N 3.22Å
822	T	95.4	Very high	96.5	Very high	62 Å²	62	21.7 Å²	21.7	38%	0.38	12%	0.115	S	C	.	.	H	α-helix	trans	-62.5	-43.7	178.3	-55.5	0	0	0	0	111.5	K818 L820 V824 G825 T826	K818-T822 WeakPolarHBondContact O-CB 3.48Å; K818-T822 PolarHBondContact O-N 3.32Å; K818-T822 PolarHBondContact O-OG1 3.26Å; L820-T822 VanDerWaalsContact C-N 3.31Å; L820-T822 PolarHBondContact O-N 2.86Å; T822-V824 PolarHBondContact O-N 3.13Å; T822-G825 PolarHBondContact O-N 2.97Å; T822-T826 WeakPolarHBondContact O-CB 3.48Å; T822-T826 PolarHBondContact O-N 3.17Å; T822-T826 PolarHBondContact O-OG1 2.66Å
823	L	97.5	Very high	96.5	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.026	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-44.3	176.7	177.6	67.8	0	0	0	111.5	Y551 K555 Y559 K819 L820 A821 N827 L828	Y551-L823 HydrophobicContact CE1-CD1 4.2Å; K555-L823 HydrophobicContact CG-CD1 4.37Å; Y559-L823 HydrophobicContact CD2-CD2 4.19Å; Y559-L823 HydrophobicContact CE2-CD2 3.99Å; K819-L823 WeakPolarHBondContact O-CB 3.36Å; K819-L823 PolarHBondContact O-N 3.49Å; K819-L823 VanDerWaalsContact O-N 3.08Å; L820-L823 PolarHBondContact O-N 3.48Å; A821-L823 PolarHBondContact O-N 3.26Å; L823-N827 HydrophobicContact CD1-CB 4.12Å; L823-N827 WeakPolarHBondContact O-CB 3.31Å; L823-N827 PolarHBondContact O-N 3.21Å; L823-L828 HydrophobicContact CD2-CD1 4.34Å; L823-L828 HydrophobicContact CG-CD1 4.16Å; L823-L828 HydrophobicContact CG-CG 4.24Å; L823-L828 PolarHBondContact O-N 2.96Å
824	V	97.3	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-67	-48.6	179.4	178.6	0	0	0	0	111	Y626 V645 L820 A821 T822 T826 L828 H829 P832	Y626-V824 HydrophobicContact CD1-CG1 3.51Å; Y626-V824 HydrophobicContact CD2-CG1 3.82Å; Y626-V824 HydrophobicContact CE1-CG1 3.84Å; Y626-V824 HydrophobicContact CE2-CG1 4.12Å; Y626-V824 HydrophobicContact CG-CB 4.28Å; Y626-V824 HydrophobicContact CG-CG1 3.49Å; Y626-V824 VanDerWaalsContact CG-CG1 3.49Å; V645-V824 HydrophobicContact CG1-CB 4.45Å; V645-V824 HydrophobicContact CG1-CG1 4.28Å; V645-V824 HydrophobicContact CG1-CG2 4.16Å; V645-V824 HydrophobicContact CG2-CG2 4.22Å; L820-V824 HydrophobicContact CD1-CG2 4.13Å; L820-V824 WeakPolarHBondContact O-CG2 3.38Å; L820-V824 PolarHBondContact O-N 3.29Å; A821-V824 PolarHBondContact O-N 3Å; T822-V824 PolarHBondContact O-N 3.13Å; V824-T826 PolarHBondContact O-N 3.48Å; V824-L828 HydrophobicContact CG2-CD1 3.99Å; V824-L828 PolarHBondContact O-N 2.74Å; V824-H829 PolarHBondContact O-N 3.12Å; V824-P832 HydrophobicContact CG2-CG 4.11Å
825	G	93.3	Very high	96.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-68.6	-27.1	-179.4	0	0	0	0	0	115	S618 T619 A821 T822 H829	S618-G825 WeakPolarHBondContact CA-O 3.34Å; T619-G825 PolarHBondContact N-O 3.27Å; T619-G825 PolarHBondContact OG1-O 3Å; A821-G825 PolarHBondContact O-N 3.22Å; T822-G825 PolarHBondContact O-N 2.97Å; G825-H829 PolarHBondContact O-CE1 3.49Å; G825-H829 PolarHBondContact O-ND1 3.3Å
826	T	92.3	Very high	96.3	Very high	53 Å²	53	32.7 Å²	32.7	33%	0.325	18%	0.183	S	C	.	.	I	π-helix	trans	-101.6	-29	-174.2	-46.6	0	0	0	0	113.7	T619 T822 V824	T619-T826 HydrophobicContact CG2-CG2 4.19Å; T822-T826 WeakPolarHBondContact O-CB 3.48Å; T822-T826 PolarHBondContact O-N 3.17Å; T822-T826 PolarHBondContact O-OG1 2.66Å; V824-T826 PolarHBondContact O-N 3.48Å
827	N	95.1	Very high	96.2	Very high	24 Å²	24	34.2 Å²	34.2	13%	0.128	19%	0.19	C	C	.	.	I	π-helix	trans	-131.6	-37.4	-167.6	-55.6	112.6	0	0	0	114.8	Y551 S552 L823	Y551-N827 HydrophobicContact CE1-CB 4.34Å; S552-N827 WeakPolarHBondContact CB-O 3.43Å; S552-N827 PolarHBondContact OG-ND2 3.25Å; L823-N827 HydrophobicContact CD1-CB 4.12Å; L823-N827 WeakPolarHBondContact O-CB 3.31Å; L823-N827 PolarHBondContact O-N 3.21Å
828	L	96.5	Very high	96.2	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	20%	0.201	C	C	.	.	I	π-helix	trans	-89.2	-42.1	-176	-54.1	180	0	0	0	112.5	K555 K556 Y559 V560 L823 V824 S830 P832	K555-L828 HydrophobicContact CB-CD2 3.72Å; K555-L828 WeakPolarHBondContact O-CD2 3.37Å; K556-L828 HydrophobicContact CB-CD2 4.4Å; Y559-L828 HydrophobicContact CD2-CD1 4.4Å; Y559-L828 HydrophobicContact CD2-CD2 4.47Å; V560-L828 HydrophobicContact CG2-CB 4.14Å; V560-L828 HydrophobicContact CG2-CD1 4.35Å; V560-L828 HydrophobicContact CG2-CD2 4.33Å; L823-L828 HydrophobicContact CD2-CD1 4.34Å; L823-L828 HydrophobicContact CG-CD1 4.16Å; L823-L828 HydrophobicContact CG-CG 4.24Å; L823-L828 PolarHBondContact O-N 2.96Å; V824-L828 HydrophobicContact CG2-CD1 3.99Å; V824-L828 PolarHBondContact O-N 2.74Å; L828-S830 PolarHBondContact O-N 3.42Å; L828-S830 VanDerWaalsContact O-N 3.13Å; L828-P832 HydrophobicContact CD1-CG 3.88Å
829	H	94.6	Very high	96.3	Very high	38 Å²	38	37 Å²	37	18%	0.176	20%	0.202	C	C	.	.			trans	48.8	32.6	-172.7	-47	-62.3	0	0	0	113.7	S618 T619 Y626 V824 G825	S618-H829 PolarHBondContact OG-ND1 3.46Å; T619-H829 PolarHBondContact OG1-CE1 3.46Å; Y626-H829 PolarHBondContact OH-O 3.4Å; V824-H829 PolarHBondContact O-N 3.12Å; G825-H829 PolarHBondContact O-CE1 3.49Å; G825-H829 PolarHBondContact O-ND1 3.3Å
830	S	94.8	Very high	96.3	Very high	35 Å²	35	35 Å²	35	25%	0.245	19%	0.193	C	C	.	.	S	Bend	trans	-165.5	151.8	-175.8	-59.7	0	0	0	0	108.1	L828	L828-S830 PolarHBondContact O-N 3.42Å; L828-S830 VanDerWaalsContact O-N 3.13Å
831	I	96.1	Very high	96.3	Very high	79 Å²	79	35.2 Å²	35.2	41%	0.405	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-72.3	135.7	-179.9	-57.9	177.5	0	0	0	109.7
832	P	97.7	Very high	96.4	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.058	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67.6	159	174.7	-21	34.2	0	0	0	113.9	Y559 V824 L828 Y841	Y559-P832 CarbonylContact O-C 3.43Å; Y559-P832 VanDerWaalsContact O-CA 3.26Å; Y559-P832 WeakPolarHBondContact O-CA 3.42Å; V824-P832 HydrophobicContact CG2-CG 4.11Å; L828-P832 HydrophobicContact CD1-CG 3.88Å; P832-Y841 HydrophobicContact CB-CE2 3.85Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.49Å
833	Q	97.9	Very high	96.5	Very high	93 Å²	93	32.9 Å²	32.9	44%	0.435	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-64.1	133.4	176.6	-70.7	-66.3	-15.6	0	0	113	Y559 V560 R562 A563 A835 L836	Y559-Q833 PolarHBondContact O-N 2.83Å; V560-Q833 WeakPolarHBondContact O-CG 2.88Å; V560-Q833 PolarHBondContact O-NE2 2.66Å; R562-Q833 WeakPolarHBondContact O-CG 3.29Å; A563-Q833 HydrophobicContact CB-CB 3.88Å; A563-Q833 HydrophobicContact CB-CG 4.33Å; Q833-A835 PolarHBondContact O-N 2.77Å; Q833-A835 VanDerWaalsContact O-N 3.13Å; Q833-L836 WeakPolarHBondContact O-CB 3.46Å; Q833-L836 PolarHBondContact O-N 2.95Å
834	N	95.8	Very high	96.5	Very high	96 Å²	96	34.3 Å²	34.3	51%	0.513	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-60.5	-26.1	-176.5	-65.5	-7.1	0	0	0	113.5	L836 E837	N834-L836 PolarHBondContact O-N 2.84Å; N834-E837 HydrophobicContact CB-CG 4.36Å; N834-E837 WeakPolarHBondContact CB-OE1 3.38Å; N834-E837 VanDerWaalsContact O-CB 3.31Å; N834-E837 WeakPolarHBondContact O-CB 3.31Å; N834-E837 WeakPolarHBondContact O-CG 3.36Å; N834-E837 PolarHBondContact O-N 2.86Å; N834-E837 PolarHBondContact OD1-OE1 3.19Å
835	A	96.9	Very high	96.4	Very high	79 Å²	79	36.1 Å²	36.1	65%	0.653	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-62	-7.9	175.3	0	0	0	0	0	114.4	A563 Q833	A563-A835 HydrophobicContact CB-CB 4Å; Q833-A835 PolarHBondContact O-N 2.77Å; Q833-A835 VanDerWaalsContact O-N 3.13Å
836	L	97.4	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-97.4	-5.3	173.9	-65.7	176.1	0	0	0	114.1	Y559 A563 P565 Q833 N834 K838 K839 Y841	Y559-L836 HydrophobicContact CD1-CD1 3.95Å; Y559-L836 HydrophobicContact CG-CD1 4.21Å; A563-L836 HydrophobicContact CB-CG 4.33Å; A563-L836 WeakPolarHBondContact O-CD2 3.5Å; P565-L836 HydrophobicContact CG-CD2 4.1Å; Q833-L836 WeakPolarHBondContact O-CB 3.46Å; Q833-L836 PolarHBondContact O-N 2.95Å; N834-L836 PolarHBondContact O-N 2.84Å; L836-K838 PolarHBondContact O-N 2.67Å; L836-K839 HydrophobicContact CD2-CD 4.3Å; L836-K839 PolarHBondContact O-N 3.31Å; L836-Y841 HydrophobicContact CB-CD1 3.52Å; L836-Y841 HydrophobicContact CB-CE1 3.7Å; L836-Y841 HydrophobicContact CB-CG 3.98Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 4.05Å; L836-Y841 HydrophobicContact CD1-CE2 4.48Å; L836-Y841 HydrophobicContact CD1-CG 4.02Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.44Å; L836-Y841 VanDerWaalsContact O-CD1 3.28Å; L836-Y841 WeakPolarHBondContact O-CD1 3.26Å; L836-Y841 WeakPolarHBondContact O-CE1 3.21Å
837	E	97.2	Very high	96.8	Very high	32 Å²	32	37.2 Å²	37.2	15%	0.15	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.2	-170.2	-77.3	170	165.6	0	0	114.4	F642 S643 K664 N834	F642-E837 CarbonylContact C-O 3.27Å; F642-E837 WeakPolarHBondContact CA-O 3.37Å; F642-E837 HydrophobicContact CD2-CB 3.89Å; F642-E837 HydrophobicContact CE2-CB 3.68Å; F642-E837 HydrophobicContact CE2-CG 3.96Å; F642-E837 VanDerWaalsContact CE2-OE2 3.31Å; F642-E837 WeakPolarHBondContact CE2-OE2 3.3Å; F642-E837 HydrophobicContact CZ-CB 4.48Å; F642-E837 HydrophobicContact CZ-CG 4.35Å; S643-E837 PolarHBondContact N-O 3.48Å; S643-E837 WeakPolarHBondContact O-CA 3.45Å; S643-E837 WeakPolarHBondContact O-CG 3.28Å; S643-E837 PolarHBondContact OG-O 3.02Å; K664-E837 VanDerWaalsContact CE-OE1 3.27Å; K664-E837 WeakPolarHBondContact CE-OE1 3.4Å; K664-E837 IonicContact NZ-OE1 2.9Å; K664-E837 PolarHBondContact NZ-OE1 3.17Å; N834-E837 HydrophobicContact CB-CG 4.36Å; N834-E837 WeakPolarHBondContact CB-OE1 3.38Å; N834-E837 VanDerWaalsContact O-CB 3.31Å; N834-E837 WeakPolarHBondContact O-CB 3.31Å; N834-E837 WeakPolarHBondContact O-CG 3.36Å; N834-E837 PolarHBondContact O-N 2.86Å; N834-E837 PolarHBondContact OD1-OE1 3.19Å
838	K	97.2	Very high	97	Very high	55 Å²	55	38 Å²	38	24%	0.239	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	2.2	180	-71.7	-64.9	-53	-163.3	0	115.3	T640 Y641 Q668 E672 L836	T640-K838 PolarHBondContact OG1-NZ 3.48Å; Y641-K838 WeakPolarHBondContact O-CE 3.21Å; Q668-K838 HydrophobicContact CG-CD 4.17Å; E672-K838 WeakPolarHBondContact OE1-CD 3.46Å; E672-K838 VanDerWaalsContact OE1-CE 3.26Å; E672-K838 WeakPolarHBondContact OE1-CE 3.38Å; E672-K838 IonicContact OE1-NZ 2.71Å; E672-K838 PolarHBondContact OE1-NZ 2.82Å; E672-K838 IonicContact OE2-NZ 2.87Å; E672-K838 PolarHBondContact OE2-NZ 3.08Å; L836-K838 PolarHBondContact O-N 2.67Å
839	K	97.7	Very high	97	Very high	66 Å²	66	40.4 Å²	40.4	29%	0.287	22%	0.218	S	C	.	.	S	Bend	trans	-115.3	151.3	-174.6	-67.2	174.6	179	170.5	0	111.4	P565 L836 Y841	P565-K839 HydrophobicContact CG-CD 4.07Å; L836-K839 HydrophobicContact CD2-CD 4.3Å; L836-K839 PolarHBondContact O-N 3.31Å; K839-Y841 WeakPolarHBondContact O-CD1 3.34Å; K839-Y841 PolarHBondContact O-N 3.18Å
840	F	98.2	Very high	97.2	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	22%	0.221	C	C	.	.			trans	-83.4	44.2	172	-64.8	-79	0	0	0	112.6	C592 K593 Y641 Y802 Y816 Y842 L843	C592-F840 HydrophobicContact CB-CB 3.77Å; C592-F840 HydrophobicContact CB-CD2 3.84Å; C592-F840 HydrophobicContact CB-CG 4.11Å; C592-F840 WeakPolarHBondContact O-CB 3.27Å; C592-F840 WeakPolarHBondContact O-CD2 3.44Å; C592-F840 PolarHBondContact O-N 3.39Å; C592-F840 VanDerWaalsContact O-N 3.14Å; K593-F840 WeakPolarHBondContact CG-O 3.45Å; Y641-F840 HydrophobicContact CD2-CE1 4.14Å; Y641-F840 HydrophobicContact CD2-CE2 4.22Å; Y641-F840 AromaticContact CD2-CZ 3.38Å; Y641-F840 HydrophobicContact CD2-CZ 3.38Å; Y641-F840 AromaticContact CE2-CZ 3.92Å; Y641-F840 HydrophobicContact CE2-CZ 3.92Å; Y641-F840 HydrophobicContact CG-CE1 4.3Å; Y641-F840 AromaticContact CG-CZ 3.96Å; Y641-F840 HydrophobicContact CG-CZ 3.96Å; Y802-F840 HydrophobicContact CD2-CD2 4.44Å; Y802-F840 AromaticContact CD2-CE2 3.75Å; Y802-F840 HydrophobicContact CD2-CE2 3.75Å; Y802-F840 AromaticContact CD2-CZ 3.82Å; Y802-F840 HydrophobicContact CD2-CZ 3.82Å; Y802-F840 AromaticContact CE2-CE2 3.74Å; Y802-F840 HydrophobicContact CE2-CE2 3.74Å; Y802-F840 AromaticContact CE2-CZ 3.67Å; Y802-F840 HydrophobicContact CE2-CZ 3.67Å; Y816-F840 AromaticContact CD1-CD1 3.95Å; Y816-F840 HydrophobicContact CD1-CD1 3.95Å; Y816-F840 AromaticContact CD1-CE1 3.87Å; Y816-F840 HydrophobicContact CD1-CE1 3.87Å; Y816-F840 HydrophobicContact CD2-CE1 4.05Å; Y816-F840 AromaticContact CE1-CD1 3.62Å; Y816-F840 HydrophobicContact CE1-CD1 3.62Å; Y816-F840 AromaticContact CE1-CE1 3.43Å; Y816-F840 HydrophobicContact CE1-CE1 3.43Å; Y816-F840 VanDerWaalsContact CE1-CE1 3.43Å; Y816-F840 HydrophobicContact CE1-CZ 4.34Å; Y816-F840 AromaticContact CE2-CE1 3.66Å; Y816-F840 HydrophobicContact CE2-CE1 3.66Å; Y816-F840 HydrophobicContact CE2-CZ 4.19Å; Y816-F840 HydrophobicContact CG-CE1 4.17Å; Y816-F840 AromaticContact CZ-CD1 3.99Å; Y816-F840 AromaticContact CZ-CE1 3.3Å; Y816-F840 AromaticContact CZ-CZ 3.86Å; F840-Y842 HydrophobicContact CD1-CE2 4.49Å; F840-Y842 AromaticContact CD1-CZ 3.95Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.36Å; F840-Y842 PolarHBondContact O-N 3.05Å; F840-Y842 VanDerWaalsContact O-N 3.1Å; F840-L843 HydrophobicContact CB-CD1 3.74Å; F840-L843 HydrophobicContact CB-CG 4Å; F840-L843 HydrophobicContact CD1-CD1 4.38Å; F840-L843 HydrophobicContact CG-CD1 4.22Å; F840-L843 PolarHBondContact O-N 2.87Å
841	Y	98.3	Very high	97.3	Very high	5 Å²	5	41 Å²	41	2%	0.02	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-31.9	-176.5	64	-86.1	0	0	0	113	Y559 L820 P832 L836 K839 L843	Y559-Y841 HydrophobicContact CD1-CD2 4.4Å; Y559-Y841 AromaticContact CD2-CD2 3.72Å; Y559-Y841 HydrophobicContact CD2-CD2 3.72Å; Y559-Y841 HydrophobicContact CD2-CE2 4.29Å; Y559-Y841 AromaticContact CE2-CD2 3.83Å; Y559-Y841 HydrophobicContact CE2-CD2 3.83Å; Y559-Y841 WeakPolarHBondContact CE2-O 3.21Å; Y559-Y841 HydrophobicContact CG-CD2 4.01Å; Y559-Y841 VanDerWaalsContact CZ-O 3.23Å; Y559-Y841 PolarHBondContact OH-O 2.84Å; L820-Y841 HydrophobicContact CD1-CE2 4.02Å; L820-Y841 WeakPolarHBondContact CD1-OH 3.32Å; P832-Y841 HydrophobicContact CB-CE2 3.85Å; P832-Y841 HydrophobicContact CG-CE2 3.9Å; P832-Y841 WeakPolarHBondContact CG-OH 3.49Å; L836-Y841 HydrophobicContact CB-CD1 3.52Å; L836-Y841 HydrophobicContact CB-CE1 3.7Å; L836-Y841 HydrophobicContact CB-CG 3.98Å; L836-Y841 HydrophobicContact CD1-CD1 4.42Å; L836-Y841 HydrophobicContact CD1-CD2 4.05Å; L836-Y841 HydrophobicContact CD1-CE2 4.48Å; L836-Y841 HydrophobicContact CD1-CG 4.02Å; L836-Y841 HydrophobicContact CG-CD1 4.44Å; L836-Y841 HydrophobicContact CG-CG 4.44Å; L836-Y841 VanDerWaalsContact O-CD1 3.28Å; L836-Y841 WeakPolarHBondContact O-CD1 3.26Å; L836-Y841 WeakPolarHBondContact O-CE1 3.21Å; K839-Y841 WeakPolarHBondContact O-CD1 3.34Å; K839-Y841 PolarHBondContact O-N 3.18Å; Y841-L843 VanDerWaalsContact C-N 3.35Å; Y841-L843 PolarHBondContact O-N 3.36Å
842	Y	98	Very high	97.4	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.012	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.5	-174.6	52.6	-91.5	0	0	0	115.4	I630 Y816 K819 L820 F840	I630-Y842 HydrophobicContact CD1-CE1 4.37Å; Y816-Y842 AromaticContact CD1-CE2 3.94Å; Y816-Y842 HydrophobicContact CD1-CE2 3.94Å; Y816-Y842 HydrophobicContact CG-CE2 4.36Å; K819-Y842 HydrophobicContact CB-CD2 4.31Å; K819-Y842 HydrophobicContact CG-CD2 4.22Å; K819-Y842 WeakPolarHBondContact CG-O 3.48Å; K819-Y842 PolarHBondContact NZ-O 3.14Å; L820-Y842 HydrophobicContact CB-CD1 4.23Å; L820-Y842 HydrophobicContact CB-CD2 3.82Å; L820-Y842 HydrophobicContact CB-CE2 4.25Å; L820-Y842 HydrophobicContact CB-CG 3.81Å; L820-Y842 HydrophobicContact CD1-CD1 3.94Å; L820-Y842 HydrophobicContact CD1-CG 3.91Å; L820-Y842 HydrophobicContact CD2-CD1 4.09Å; L820-Y842 HydrophobicContact CD2-CE1 4.21Å; L820-Y842 HydrophobicContact CD2-CG 4.5Å; L820-Y842 HydrophobicContact CG-CD1 4.31Å; L820-Y842 HydrophobicContact CG-CG 4.27Å; F840-Y842 HydrophobicContact CD1-CE2 4.49Å; F840-Y842 AromaticContact CD1-CZ 3.95Å; F840-Y842 WeakPolarHBondContact CD1-OH 3.36Å; F840-Y842 PolarHBondContact O-N 3.05Å; F840-Y842 VanDerWaalsContact O-N 3.1Å
843	L	96.9	Very high	97.4	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.052	22%	0.217	C	C	.	.			trans	-68.8	0	174.7	-68.8	-177.2	0	0	0	112.5	Q589 C592 K593 Y801 N803 Y816 K819 F840 Y841	Q589-L843 HydrophobicContact CG-CB 4.24Å; Q589-L843 PolarHBondContact NE2-O 3.16Å; Q589-L843 PolarHBondContact NE2-OXT 3.35Å; C592-L843 HydrophobicContact CB-CD1 3.94Å; K593-L843 WeakPolarHBondContact CE-OXT 3.38Å; K593-L843 PolarHBondContact NZ-OXT 2.86Å; Y801-L843 HydrophobicContact CE2-CD2 4.01Å; N803-L843 HydrophobicContact CB-CD1 4.36Å; N803-L843 HydrophobicContact CB-CD2 4.08Å; Y816-L843 HydrophobicContact CD1-CD2 3.99Å; Y816-L843 HydrophobicContact CE1-CD1 4.26Å; Y816-L843 HydrophobicContact CE1-CD2 3.97Å; K819-L843 VanDerWaalsContact CE-O 3.23Å; K819-L843 WeakPolarHBondContact CE-O 3.33Å; K819-L843 HydrophobicContact CG-CD2 4.28Å; K819-L843 PolarHBondContact NZ-O 2.69Å; F840-L843 HydrophobicContact CB-CD1 3.74Å; F840-L843 HydrophobicContact CB-CG 4Å; F840-L843 HydrophobicContact CD1-CD1 4.38Å; F840-L843 HydrophobicContact CG-CD1 4.22Å; F840-L843 PolarHBondContact O-N 2.87Å; Y841-L843 VanDerWaalsContact C-N 3.35Å; Y841-L843 PolarHBondContact O-N 3.36Å

Retrieved 843 of 843 residues in 2556.1 ms (Link to these results)

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