A0A096MXK7_PAPAN Loading...

SEC24 homolog D, COPII coat complex component

AlphaFold DB (A0A2K5XRJ5), UniProt , Accession A0A096MXK7, Species PAPAN (Papio anubis, Olive baboon), Gene SEC24D, Length 1,032 aa.

						>A0A096MXK7_PAPAN|A0A096MXK7|SEC24D
MSQQGYVATPPYSQPQPGIGLSPPHYGHYGDPSHTASPTGMMKPAGPLGVTATGGMLPPGPPPPGPHQFGQNGAHAAGHPQQRFPGPPPVNNVASSYAPYQPSAQSSYPSPMSTSSVTQLGSQLSAMQINSYGSGMAPPSQGPPGPLSATSLQTPPRPPQPSILQPGSQVLPPPPTTLNGPGASPLLPPMYRPDGLSGPPPPNSQYQPPPLPGQTLGAGYPPQQANSGPQMAGAQLSYPGGFPGGPAQLAGPPQPQKKLDPDSIPSPIQVIENDRASRGGQVYATNTRGQIPPLVTTDCIIQDQGNASPRFIRCTTYCFPCTSDMAKQAQIPLAAVIKPFATIPSNESPLYLVNHGESGPVRCNRCKAYMCPFMQFIEGGRRYQCGFCNCVNDVPPFYFQHLDHIGRRLDHYEKPELSLGSYEYVATLDYCRKNKPPNPPAFIFMIDVSYSNIKNGLVKLICEELKTMLEKLPKEEQEEMSAIRVGFITYNKVLHFFNVKSNLAQPQMMVVTDVGEVFVPLLDGFLVNYQESQSVIHNLLDQIPDMFADSNENETVFAPVIQAGMEALKAADCPGKLFIFHSSLPTAEAPGKLKNRDDKKLVNTDKEKILFQPQTNVYDSLAKDCVAHGCSVTLFLFPSQYVDVASLGLVPQLTGGTLYKYNNFQMHLDRQQFLNDLRNDIEKKIGFDAIMRVRTSTGFRATDFFGGILMNNTTDVEMAAIDCDKAVTVEFKHDDKLSEDTGALIQCAVLYTTISGQRRLRIHNLGLNCSSQLADLYKSCETDALINFFAKSAFKAVLHQPLKVIREILVNQTAHMLACYRKNCASPSAASQLILPDSMKVLPVYMNCLLKNCVLLSRPEISTDERAYQRQLVMTMGVADSQLFFYPQLLPIHTLDVKSTMLPAAVRCSESRLSEEGIFLLANGLHMFLWLGVSSPPELIQGIFNVPSFAHINTDMTLLPEVGNPYSQQLRMIMGIIQQKRPYSMKLTIVKQREQPEMVFRQFLVEDKGLYGGSSYVDFLCCVHKEICQLLN
					

Structure Viewer

Loading PAE data...

(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	30.5	Very low	33.3	Very low	252 Å²	252	143.8 Å²	143.8	100%	1.241	82%	0.816	S	S	*	*				0	170.5	0	-96.6	175.8	163.5	0	0	109.2
2	S	29.5	Very low	32.9	Very low	98 Å²	98	150.3 Å²	150.3	69%	0.685	82%	0.82	S	S	*	*			trans	-90.4	138.2	-162.5	47.7	0	0	0	0	115.9
3	Q	33.8	Very low	32.5	Very low	168 Å²	168	148.2 Å²	148.2	79%	0.785	82%	0.823	S	S	*	*			trans	62.7	169.6	154.5	-51.5	175.4	5.4	0	0	117.3
4	Q	33.9	Very low	32.3	Very low	183 Å²	183	150.7 Å²	150.7	86%	0.855	83%	0.825	S	S	*	*			cis	-131.6	165.9	1.1	-66.2	172.4	-13.2	0	0	108.5
5	G	28.5	Very low	33	Very low	64 Å²	64	147.3 Å²	147.3	66%	0.66	81%	0.813	S	S	*	*			cis	170.8	169.2	-3.6	0	0	0	0	0	111.5
6	Y	30.8	Very low	32.9	Very low	233 Å²	233	149.6 Å²	149.6	91%	0.914	82%	0.817	S	S	*	*			trans	23.3	140.1	149.7	-67.5	-72.6	0	0	0	122
7	V	29.7	Very low	34.2	Very low	140 Å²	140	148 Å²	148	85%	0.848	82%	0.815	S	S	*	*			cis	-135.1	-147.1	5.2	-134.7	0	0	0	0	109.5
8	A	26.8	Very low	33.9	Very low	84 Å²	84	144.1 Å²	144.1	69%	0.694	81%	0.814	S	S	*	*			cis	-156.5	169.6	5	0	0	0	0	0	112.3
9	T	26.3	Very low	33.8	Very low	132 Å²	132	146.1 Å²	146.1	81%	0.81	82%	0.82	S	S	*	*			trans	-155.9	179.7	167	57	0	0	0	0	109
10	P	48.1	Very low	33.5	Very low	117 Å²	117	141.9 Å²	141.9	76%	0.76	81%	0.812	S	S	*	*			cis	-114.2	-124.3	-18.7	25.9	-0.1	0	0	0	108.2
11	P	48.1	Very low	33.3	Very low	111 Å²	111	143.6 Å²	143.6	72%	0.721	82%	0.817	S	S	*	*			cis	-136.4	178.2	-24.7	40.7	-21	0	0	0	118
12	Y	29.4	Very low	33.3	Very low	222 Å²	222	136.9 Å²	136.9	87%	0.871	80%	0.795	S	S	*	*			trans	-22.1	148.1	162.3	-80.7	-98.6	0	0	0	122.9
13	S	27.3	Very low	34.7	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	80%	0.796	S	S	*	*				-170	159	119.4	30.7	0	0	0	0	115
14	Q	29.8	Very low	35.7	Very low	184 Å²	184	135.6 Å²	135.6	86%	0.86	80%	0.799	S	S	*	*			trans	-135.9	179	174.8	-122.5	-171.9	18.3	0	0	106.2
15	P	42.8	Very low	35.7	Very low	99 Å²	99	135 Å²	135	64%	0.643	80%	0.796	S	S	*	*			cis	-140.1	-169.7	-10.8	37.7	-16.1	0	0	0	115.5
16	Q	30.8	Very low	36	Very low	185 Å²	185	143.2 Å²	143.2	86%	0.864	81%	0.809	S	S	*	*			trans	81.5	168.2	143.7	-92.3	-158.4	-11.7	0	0	121.7
17	P	55.5	Low	35.9	Very low	122 Å²	122	135.2 Å²	135.2	79%	0.792	80%	0.797	S	S	*	*			trans	-123.7	-174.8	-132.7	47	-36.2	0	0	0	116.8
18	G	28.7	Very low	36.2	Very low	77 Å²	77	136.5 Å²	136.5	79%	0.794	79%	0.794	S	S	*	*			trans	-148.2	155.6	171.8	0	0	0	0	0	114.3
19	I	31.5	Very low	36.5	Very low	182 Å²	182	143.1 Å²	143.1	93%	0.933	80%	0.802	S	S	*	*			trans	-118.9	144.9	-175.5	-64.6	166.1	0	0	0	109.3
20	G	27.5	Very low	36.7	Very low	63 Å²	63	140.4 Å²	140.4	65%	0.649	80%	0.8	S	S	*	*			trans	171	104.9	162.8	0	0	0	0	0	120.6
21	L	29.1	Very low	36.2	Very low	177 Å²	177	141.9 Å²	141.9	93%	0.927	80%	0.801	S	S	*	*			trans	71	157.7	134.4	-57.3	171.6	0	0	0	122.2
22	S	31.5	Very low	36.4	Very low	112 Å²	112	141.7 Å²	141.7	78%	0.783	80%	0.8	S	S	*	*			trans	-148.7	-172.5	178.7	-36.3	0	0	0	0	107.5
23	P	59.3	Low	36.8	Very low	109 Å²	109	135.2 Å²	135.2	71%	0.708	79%	0.787	S	S	*	*			cis	-120.8	-155.6	-22.8	34.9	-13.5	0	0	0	110.7
24	P	54.5	Low	37.2	Very low	129 Å²	129	137 Å²	137	84%	0.838	78%	0.782	S	S	*	*				-149	-169.1	87.6	38.1	-17	0	0	0	116.4
25	H	34.1	Very low	37.3	Very low	171 Å²	171	134.7 Å²	134.7	79%	0.792	78%	0.781	S	S	*	*			trans	-98.1	163	-163.1	-79.1	-81.9	0	0	0	118.5
26	Y	33.5	Very low	36.7	Very low	236 Å²	236	134.4 Å²	134.4	93%	0.925	79%	0.787	S	S	*	*			trans	142.9	142.4	130.1	-89.3	-81.7	0	0	0	111.9
27	G	30	Very low	36.9	Very low	65 Å²	65	131.1 Å²	131.1	67%	0.67	78%	0.784	S	S	*	*			cis	-170.3	-177.4	0.1	0	0	0	0	0	113.5
28	H	35.5	Very low	37.3	Very low	168 Å²	168	130.4 Å²	130.4	78%	0.778	78%	0.78	S	S	*	*			trans	-56.9	166.9	-173.6	-61	-67.6	0	0	0	116.7
29	Y	34.3	Very low	37.6	Very low	223 Å²	223	133.8 Å²	133.8	88%	0.875	79%	0.785	S	S	*	*			cis	-146.9	177.4	29.7	-77.1	-87.5	0	0	0	111.6
30	G	29.5	Very low	37.5	Very low	74 Å²	74	128.9 Å²	128.9	76%	0.763	78%	0.779	S	S	*	*			cis	154.3	162.1	-3.5	0	0	0	0	0	112.2
31	D	37.4	Very low	37.9	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	79%	0.793	S	S	*	*			trans	-154.1	156.7	-177	172.8	68.7	0	0	0	112	S33	D31-S33 PolarHBondContact OD2-N 3.23Å
32	P	52.9	Low	37.9	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	79%	0.794	S	S	*	*			trans	-137.8	93.4	162.9	39.7	-21.6	0	0	0	117
33	S	36.9	Very low	37.9	Very low	86 Å²	86	139.7 Å²	139.7	60%	0.601	80%	0.797	S	S	*	*				70.9	167.4	117.6	84.7	0	0	0	0	120.3	D31	D31-S33 PolarHBondContact OD2-N 3.23Å
34	H	37	Very low	37.2	Very low	161 Å²	161	140.1 Å²	140.1	75%	0.745	80%	0.8	S	S	*	*			cis	-163	171.9	12.8	-127.1	-24.4	0	0	0	112.9
35	T	31.1	Very low	36	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	80%	0.801	S	S	*	*			trans	65.9	147.4	160.3	52.4	0	0	0	0	120.2
36	A	30.6	Very low	35.7	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	80%	0.799	S	S	*	*			cis	-161.6	-177.8	-12.4	0	0	0	0	0	111.4
37	S	34.3	Very low	36.7	Very low	115 Å²	115	128.7 Å²	128.7	80%	0.804	79%	0.792	S	S	*	*			trans	-140	-171.9	-171.7	-42.2	0	0	0	0	111.1
38	P	64.1	Low	36.7	Very low	108 Å²	108	133.8 Å²	133.8	70%	0.701	80%	0.803	S	S	*	*				-132.8	-169	-55.9	30.8	-9.2	0	0	0	114.2
39	T	34.4	Very low	36.6	Very low	147 Å²	147	129 Å²	129	90%	0.902	80%	0.799	S	S	*	*			trans	84.4	149.3	159.5	74.1	0	0	0	0	121.4
40	G	30.3	Very low	36.5	Very low	80 Å²	80	125.4 Å²	125.4	83%	0.825	80%	0.8	S	S	*	*			trans	146.3	131.5	164.3	0	0	0	0	0	116.1
41	M	34.7	Very low	36.6	Very low	189 Å²	189	128 Å²	128	93%	0.931	80%	0.801	S	S	*	*			trans	-120.7	138.3	169.6	-89.4	-169.1	169.9	0	0	110.8
42	M	29.1	Very low	36.3	Very low	191 Å²	191	125.8 Å²	125.8	94%	0.941	80%	0.803	S	S	*	*				162.6	164.4	126.2	-89.5	-156.6	168	0	0	114.7
43	K	32	Very low	35.3	Very low	198 Å²	198	127.8 Å²	127.8	86%	0.861	81%	0.814	S	S	*	*			trans	-77.5	170.6	168.6	-86.8	-179.9	177.7	178.5	0	110.7
44	P	44.9	Very low	35	Very low	119 Å²	119	127.7 Å²	127.7	77%	0.773	83%	0.826	S	S	*	*			cis	-153.2	-170.8	35.9	44.7	-22.8	0	0	0	119.5
45	A	30.1	Very low	34.7	Very low	102 Å²	102	123.8 Å²	123.8	84%	0.843	83%	0.83	S	S	*	*			trans	80.7	150	153.3	0	0	0	0	0	121.5
46	G	27.4	Very low	34.8	Very low	73 Å²	73	126 Å²	126	75%	0.753	83%	0.833	S	S	*	*			trans	-115.2	-141.2	172	0	0	0	0	0	111.2
47	P	55.1	Low	35.2	Very low	120 Å²	120	128.7 Å²	128.7	78%	0.779	83%	0.834	S	S	*	*			cis	-141.5	-152.6	21.8	43.4	-22.3	0	0	0	115
48	L	30	Very low	35.7	Very low	173 Å²	173	129 Å²	129	91%	0.906	83%	0.833	S	S	*	*			trans	76.3	123.8	-176.2	-49.3	173.5	0	0	0	113.5
49	G	32.2	Very low	35	Very low	68 Å²	68	129.8 Å²	129.8	70%	0.701	84%	0.838	S	S	*	*			cis	120.1	141.1	3.7	0	0	0	0	0	111
50	V	33.2	Very low	34.9	Very low	146 Å²	146	126 Å²	126	89%	0.885	83%	0.828	S	S	*	*			cis	-159.7	-175.2	-0.8	-115.1	0	0	0	0	107
51	T	30.1	Very low	35.6	Very low	128 Å²	128	128.3 Å²	128.3	79%	0.785	83%	0.829	S	S	*	*			cis	-148.9	142.7	17.5	48	0	0	0	0	111.2
52	A	32.9	Very low	36	Very low	102 Å²	102	125 Å²	125	84%	0.843	82%	0.821	S	S	*	*			trans	-175.4	141.1	148.2	0	0	0	0	0	111.9
53	T	31.3	Very low	36.7	Very low	149 Å²	149	121.7 Å²	121.7	91%	0.914	81%	0.814	S	S	*	*			trans	-144	150	176.5	51.5	0	0	0	0	108.3
54	G	30.4	Very low	37.3	Very low	84 Å²	84	118.7 Å²	118.7	87%	0.866	82%	0.815	S	S	*	*			cis	169.3	167.8	3.2	0	0	0	0	0	106.4
55	G	29.8	Very low	36.7	Very low	80 Å²	80	116.4 Å²	116.4	83%	0.825	81%	0.813	S	S	*	*			cis	-153.5	-145	4.4	0	0	0	0	0	111.5
56	M	34	Very low	37.3	Very low	180 Å²	180	117.7 Å²	117.7	89%	0.887	81%	0.813	S	S	*	*			trans	-100.9	168.5	-158.2	-85.4	-74.6	169.9	0	0	118.3
57	L	39	Very low	37.6	Very low	150 Å²	150	123.6 Å²	123.6	79%	0.785	82%	0.82	S	S	*	*			trans	-48	160.8	174.6	-60.9	158.9	0	0	0	115.4
58	P	45.8	Very low	36.5	Very low	121 Å²	121	126 Å²	126	79%	0.786	82%	0.821	S	S	*	*				-141.7	-140.6	101	40.6	-21.7	0	0	0	114.1
59	P	48	Very low	36.6	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	82%	0.82	S	S	*	*				-119.5	-170.3	-126.5	32.7	-8.4	0	0	0	116.1
60	G	33.7	Very low	36.4	Very low	67 Å²	67	127.8 Å²	127.8	69%	0.691	82%	0.824	S	S	*	*			trans	-79	-179.8	-166.8	0	0	0	0	0	118.9
61	P	45	Very low	36.4	Very low	129 Å²	129	129.3 Å²	129.3	84%	0.838	82%	0.822	S	S	*	*			trans	-97.1	143.9	-159.9	35.9	-35.5	0	0	0	116.7
62	P	42.4	Very low	36.5	Very low	119 Å²	119	130.9 Å²	130.9	77%	0.773	83%	0.825	S	S	*	*			trans	-94.1	177.8	166.5	39.3	-35	0	0	0	112.7
63	P	44.2	Very low	36.3	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	82%	0.821	S	S	*	*			trans	-86.2	164.4	-164.1	34.6	-36.7	0	0	0	115.7
64	P	44.5	Very low	36.4	Very low	135 Å²	135	126.7 Å²	126.7	88%	0.877	81%	0.813	S	S	*	*			trans	-93.7	141	-171.5	35.2	-35.2	0	0	0	116.1
65	G	30.7	Very low	36.6	Very low	71 Å²	71	131.3 Å²	131.3	73%	0.732	81%	0.811	S	S	*	*			trans	141.7	160.3	159.5	0	0	0	0	0	113.6
66	P	43.5	Very low	36.7	Very low	129 Å²	129	132.1 Å²	132.1	84%	0.838	81%	0.811	S	S	*	*			cis	-111.5	174.6	-18.2	39.7	-28.4	0	0	0	112.4
67	H	34.7	Very low	36.7	Very low	198 Å²	198	128.5 Å²	128.5	92%	0.917	81%	0.809	S	S	*	*			trans	-115.1	148.4	171.6	-90.1	-74.1	0	0	0	112.7
68	Q	30.9	Very low	36.3	Very low	170 Å²	170	124.5 Å²	124.5	79%	0.794	80%	0.804	S	S	*	*			trans	-152.2	174.5	172.2	-137.7	-175.4	35.8	0	0	111.1
69	F	32	Very low	35.9	Very low	202 Å²	202	128 Å²	128	89%	0.886	81%	0.81	S	S	*	*			trans	69.4	137	-169.1	-57.4	-85.3	0	0	0	114.3
70	G	29.2	Very low	36	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	80%	0.802	S	S	*	*			cis	-170.1	-174.2	-5.1	0	0	0	0	0	108.3
71	Q	31.6	Very low	35.9	Very low	178 Å²	178	132 Å²	132	83%	0.832	81%	0.809	S	S	*	*			cis	-163	175.4	-6	-162.8	173.1	19.3	0	0	107.6
72	N	33	Very low	35.3	Very low	161 Å²	161	132.2 Å²	132.2	86%	0.861	80%	0.798	S	S	*	*			trans	79.7	136.9	178.3	-47.2	-32.4	0	0	0	116.1
73	G	29.7	Very low	34.7	Very low	73 Å²	73	136.1 Å²	136.1	75%	0.753	80%	0.797	S	S	*	*			cis	179.4	140.4	-10.8	0	0	0	0	0	116.2
74	A	32.2	Very low	34.3	Very low	90 Å²	90	139.6 Å²	139.6	74%	0.744	80%	0.801	S	S	*	*			trans	74.1	137	151.9	0	0	0	0	0	123.8
75	H	34.3	Very low	34.3	Very low	181 Å²	181	139 Å²	139	84%	0.838	80%	0.797	S	S	*	*			trans	79.7	107.2	156.8	-61.9	-62.8	0	0	0	123.5
76	A	32.7	Very low	34.6	Very low	98 Å²	98	138.8 Å²	138.8	81%	0.81	80%	0.795	S	S	*	*				54.7	139.8	129.2	0	0	0	0	0	121.9
77	A	33.4	Very low	34.5	Very low	104 Å²	104	139 Å²	139	86%	0.86	80%	0.796	S	S	*	*			cis	-165.8	160.3	-10.2	0	0	0	0	0	110.2
78	G	30.9	Very low	35.1	Very low	66 Å²	66	135 Å²	135	68%	0.68	79%	0.788	S	S	*	*			trans	156.3	103.4	165.9	0	0	0	0	0	118.6
79	H	38.1	Very low	36.6	Very low	194 Å²	194	132.8 Å²	132.8	90%	0.898	79%	0.788	S	S	*	*			trans	62.6	157.9	157.2	-69.2	-80.2	0	0	0	122.4
80	P	49	Very low	36.6	Very low	101 Å²	101	130.3 Å²	130.3	66%	0.656	79%	0.789	S	S	*	*			trans	-135.1	154.6	-161.5	40.1	-21	0	0	0	118.2
81	Q	32.4	Very low	36.9	Very low	177 Å²	177	133.8 Å²	133.8	83%	0.827	79%	0.79	S	S	*	*			trans	59.2	155.8	140.4	-65.1	-177.3	0.2	0	0	121.1
82	Q	32.4	Very low	37	Very low	133 Å²	133	132.4 Å²	132.4	62%	0.621	79%	0.788	S	S	*	*			cis	-159.7	152.3	-20	-99.1	-123.6	2.6	0	0	110.2
83	R	29.5	Very low	36.9	Very low	200 Å²	200	130.6 Å²	130.6	76%	0.755	78%	0.783	S	S	*	*			trans	28.6	125.4	149.3	-68.5	-174	173.1	159.4	-7.8	123.2
84	F	34.9	Very low	36.9	Very low	195 Å²	195	131.1 Å²	131.1	86%	0.855	78%	0.78	S	S	*	*				51.4	171.2	129.6	-69.3	-73.4	0	0	0	121
85	P	44.3	Very low	36.7	Very low	122 Å²	122	132.3 Å²	132.3	79%	0.792	78%	0.783	S	S	*	*			cis	-120.5	-162.4	-6.2	42.2	-26.8	0	0	0	113.3
86	G	37.8	Very low	36.5	Very low	67 Å²	67	128.4 Å²	128.4	69%	0.691	78%	0.776	S	S	*	*			trans	-119.5	172	171.6	0	0	0	0	0	114.6
87	P	41.9	Very low	36.3	Very low	132 Å²	132	134.5 Å²	134.5	86%	0.857	78%	0.779	S	S	*	*			trans	-109.9	173.3	-174.3	10.5	14	0	0	0	115.5
88	P	47.7	Very low	36.2	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	77%	0.773	S	S	*	*			trans	-114.4	178.3	-161.6	43	-34.7	0	0	0	116.5
89	P	61.7	Low	36.9	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	77%	0.774	S	S	*	*			trans	-101.1	151.4	179.5	37.9	-33.6	0	0	0	115.3
90	V	32.8	Very low	36.3	Very low	150 Å²	150	137.8 Å²	137.8	91%	0.909	78%	0.775	S	S	*	*			trans	-146.9	160.7	172.6	-169.6	0	0	0	0	112.2
91	N	35	Very low	35.6	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	79%	0.785	S	S	*	*			trans	-94.3	140.3	-170.2	-100.6	-31.6	0	0	0	116.8
92	N	32.7	Very low	36.2	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	78%	0.782	S	S	*	*				64	161.3	124.1	-151.5	8.1	0	0	0	123
93	V	31.6	Very low	36	Very low	123 Å²	123	138 Å²	138	75%	0.745	79%	0.791	S	S	*	*			trans	105.9	128.5	157.8	-176.5	0	0	0	0	120.4
94	A	29	Very low	36.1	Very low	83 Å²	83	133 Å²	133	69%	0.686	79%	0.792	S	S	*	*			trans	77.2	96.7	154.4	0	0	0	0	0	123.6
95	S	28.4	Very low	35.9	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	79%	0.791	S	S	*	*				35.2	132.1	114.5	-49	0	0	0	0	122.8
96	S	29.6	Very low	35.1	Very low	99 Å²	99	131.7 Å²	131.7	69%	0.692	79%	0.79	S	S	*	*				176	165	105.5	50.6	0	0	0	0	115.2
97	Y	29.4	Very low	34.7	Very low	225 Å²	225	132.4 Å²	132.4	88%	0.882	79%	0.785	S	S	*	*			trans	65.7	106.9	166.7	-62.5	-72.4	0	0	0	122.1
98	A	31.6	Very low	34.2	Very low	87 Å²	87	136.3 Å²	136.3	72%	0.719	78%	0.784	S	S	*	*			trans	-90.1	-174.5	141.1	0	0	0	0	0	108.7
99	P	44.8	Very low	33.6	Very low	109 Å²	109	136.2 Å²	136.2	71%	0.708	78%	0.783	S	S	*	*			cis	-136.6	177.7	0.9	43.4	-27.4	0	0	0	115.5
100	Y	26.4	Very low	32.2	Very low	237 Å²	237	136 Å²	136	93%	0.929	79%	0.785	S	S	*	*			trans	-149.8	150.5	139.2	-115.5	-80.5	0	0	0	110
101	Q	34	Very low	32.5	Very low	182 Å²	182	134.8 Å²	134.8	85%	0.85	78%	0.78	S	S	*	*			trans	-119.3	166.7	-173.9	-103.6	-155.3	-21.7	0	0	113.2
102	P	44.2	Very low	32.3	Very low	120 Å²	120	136.2 Å²	136.2	78%	0.779	78%	0.784	S	S	*	*			trans	-101.6	179	-156.7	40.8	-39.1	0	0	0	115.1
103	S	29.6	Very low	32	Very low	115 Å²	115	135 Å²	135	80%	0.804	79%	0.787	S	S	*	*			trans	-119.6	118.8	169.6	57.9	0	0	0	0	112.5
104	A	30.6	Very low	31.9	Very low	94 Å²	94	134.4 Å²	134.4	78%	0.777	78%	0.784	S	S	*	*			trans	22.5	156	146.6	0	0	0	0	0	123.3
105	Q	30.4	Very low	32	Very low	179 Å²	179	135.9 Å²	135.9	84%	0.836	79%	0.789	S	S	*	*			cis	178.4	123.6	-32.6	-136.1	-179.4	-8.4	0	0	108.8
106	S	28.6	Very low	31.9	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	79%	0.787	S	S	*	*			trans	168.1	131.2	153.8	31	0	0	0	0	108.7
107	S	29.2	Very low	32.3	Very low	81 Å²	81	137.9 Å²	137.9	57%	0.566	80%	0.796	S	S	*	*			cis	79.7	125.5	32.7	-57.5	0	0	0	0	113.4
108	Y	31.5	Very low	32.6	Very low	215 Å²	215	133.4 Å²	133.4	84%	0.843	79%	0.793	S	S	*	*			cis	-164.8	172.1	-1.8	-85.4	-42.7	0	0	0	108.5
109	P	35.8	Very low	32.6	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	80%	0.801	S	S	*	*			cis	-128.7	-175	-24.8	37.9	-21.1	0	0	0	112.8
110	S	31.8	Very low	31.8	Very low	120 Å²	120	142 Å²	142	84%	0.839	81%	0.813	S	S	*	*			trans	-131.3	127.5	164.7	-55.8	0	0	0	0	110.9
111	P	37.8	Very low	32.4	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	81%	0.808	S	S	*	*			trans	-84.8	135.6	177.2	32.6	-32.3	0	0	0	111.8
112	M	31.1	Very low	32.4	Very low	179 Å²	179	130.9 Å²	130.9	88%	0.882	80%	0.803	S	S	*	*			trans	-70.2	150.4	157.8	-67.2	170.6	61.5	0	0	109.6
113	S	26.5	Very low	31.8	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	81%	0.81	S	S	*	*			trans	-137	131.5	164.1	54.6	0	0	0	0	111.3
114	T	29.1	Very low	31.9	Very low	110 Å²	110	137.5 Å²	137.5	68%	0.675	82%	0.816	S	S	*	*			trans	-101.9	140.9	179.7	48.7	0	0	0	0	110.8
115	S	31.8	Very low	31.9	Very low	114 Å²	114	139.3 Å²	139.3	80%	0.797	82%	0.822	S	S	*	*			trans	38.8	104	148.2	61	0	0	0	0	119.2
116	S	26.1	Very low	31.7	Very low	110 Å²	110	135 Å²	135	77%	0.769	82%	0.818	S	S	*	*			trans	-152.8	67	164.4	51.1	0	0	0	0	113.8	T118	S116-T118 PolarHBondContact O-N 3.26Å
117	V	39.2	Very low	31.7	Very low	147 Å²	147	139 Å²	139	89%	0.891	83%	0.826	S	S	*	*			trans	-80.8	65.7	171.4	-171.7	0	0	0	0	110.3
118	T	34.3	Very low	31.6	Very low	131 Å²	131	144.1 Å²	144.1	80%	0.804	84%	0.842	S	S	*	*			trans	-170.7	75.9	167.6	4.2	0	0	0	0	112.1	S116	S116-T118 PolarHBondContact O-N 3.26Å
119	Q	31.3	Very low	31.3	Very low	193 Å²	193	142 Å²	142	90%	0.902	84%	0.843	S	S	*	*			trans	173.9	89.5	148.5	-100.7	174.4	4.2	0	0	111.4
120	L	29.2	Very low	30.9	Very low	183 Å²	183	144 Å²	144	96%	0.958	85%	0.847	S	S	*	*			trans	-149.4	38.3	160.5	-149.5	75.6	0	0	0	111.7
121	G	37.8	Very low	30.6	Very low	80 Å²	80	143.8 Å²	143.8	83%	0.825	85%	0.846	S	S	*	*			trans	-99.5	17.8	-167.9	0	0	0	0	0	116.3
122	S	35	Very low	30.3	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	85%	0.851	S	S	*	*	S	Bend	trans	-165.8	79.7	-175.1	58.3	0	0	0	0	115.1
123	Q	32.1	Very low	30.1	Very low	198 Å²	198	143.9 Å²	143.9	93%	0.925	84%	0.844	S	S	*	*	S	Bend	trans	-172	33.8	157.5	-112.7	168.7	25.6	0	0	117.3
124	L	30.4	Very low	30.3	Very low	177 Å²	177	144.4 Å²	144.4	93%	0.927	85%	0.848	S	S	*	*			trans	-129.4	33.5	179.5	-78.4	177.6	0	0	0	115.8
125	S	30	Very low	30.2	Very low	131 Å²	131	142.5 Å²	142.5	92%	0.916	85%	0.85	S	S	*	*			trans	-107.5	55.4	176.8	-58.8	0	0	0	0	112.8
126	A	28.1	Very low	30.2	Very low	89 Å²	89	146.4 Å²	146.4	74%	0.736	86%	0.858	S	S	*	*			trans	-154.8	69.1	-179.7	0	0	0	0	0	114.2
127	M	26.7	Very low	30.5	Very low	195 Å²	195	145.7 Å²	145.7	96%	0.961	86%	0.859	S	S	*	*			trans	-170.7	100	151.1	-106.7	170	-159.9	0	0	110.1
128	Q	27.3	Very low	30.1	Very low	189 Å²	189	144.4 Å²	144.4	88%	0.883	85%	0.853	S	S	*	*			trans	-110.3	140.6	164.6	-75.9	-175	-44	0	0	108.9
129	I	26.2	Very low	30.4	Very low	171 Å²	171	144.5 Å²	144.5	88%	0.877	86%	0.856	S	S	*	*			trans	-117.1	139.7	165.2	-69.7	179.5	0	0	0	107.3
130	N	26.7	Very low	30.4	Very low	154 Å²	154	140.6 Å²	140.6	82%	0.824	85%	0.85	S	S	*	*			trans	-71.8	150.5	-161.7	-62.6	-38.3	0	0	0	114.3
131	S	25.7	Very low	30.6	Very low	115 Å²	115	141.2 Å²	141.2	80%	0.804	85%	0.848	S	S	*	*			trans	-116.5	155.4	141	-167.7	0	0	0	0	108.5
132	Y	32.1	Very low	30.4	Very low	236 Å²	236	140.7 Å²	140.7	93%	0.925	84%	0.842	S	S	*	*			trans	-71.4	150.8	-171.5	-72.1	-100.2	0	0	0	112.3
133	G	26.3	Very low	30.6	Very low	70 Å²	70	142 Å²	142	72%	0.722	85%	0.848	S	S	*	*			trans	-157.3	177	-179.5	0	0	0	0	0	114.4
134	S	30.2	Very low	30.9	Very low	134 Å²	134	138.6 Å²	138.6	94%	0.937	84%	0.844	S	S	*	*			trans	-158.7	139.4	170.3	-73.7	0	0	0	0	107.6
135	G	28.3	Very low	31	Very low	70 Å²	70	133.6 Å²	133.6	72%	0.722	83%	0.834	S	S	*	*			cis	151.3	80.9	-4.8	0	0	0	0	0	112.6
136	M	31	Very low	32	Very low	195 Å²	195	133 Å²	133	96%	0.961	83%	0.827	S	S	*	*			trans	-157.6	148	164.3	-92.4	-57.8	162.9	0	0	109
137	A	32.2	Very low	32.1	Very low	96 Å²	96	136.1 Å²	136.1	79%	0.793	83%	0.831	S	S	*	*			trans	-130	145.4	-171.4	0	0	0	0	0	113.6
138	P	31.7	Very low	32.3	Very low	119 Å²	119	132 Å²	132	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-103.7	155	157.7	35.8	-27.6	0	0	0	111.9
139	P	40.7	Very low	32.4	Very low	133 Å²	133	127.5 Å²	127.5	86%	0.864	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-82	160.6	-175	33.7	-36.5	0	0	0	114
140	S	31.2	Very low	32.6	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-100.9	148.7	175.1	54.9	0	0	0	0	112.5
141	Q	33.4	Very low	32.8	Very low	197 Å²	197	122.7 Å²	122.7	92%	0.921	81%	0.805	S	S	*	*			trans	-174.3	136.2	141.9	-107.5	169.7	35	0	0	114
142	G	33.3	Very low	33	Very low	68 Å²	68	125.1 Å²	125.1	70%	0.701	81%	0.808	S	S	*	*			trans	59.8	112.2	136	0	0	0	0	0	122.1
143	P	39.3	Very low	33.1	Very low	133 Å²	133	123.1 Å²	123.1	86%	0.864	81%	0.807	S	S	*	*			trans	-88.7	137.3	158.9	34.5	-30.5	0	0	0	112.2
144	P	39.3	Very low	33.5	Very low	128 Å²	128	126.2 Å²	126.2	83%	0.831	81%	0.812	S	S	*	*			trans	-103.6	146	174.1	35.9	-31	0	0	0	114.5
145	G	31.4	Very low	35	Very low	71 Å²	71	125.3 Å²	125.3	73%	0.732	80%	0.803	S	S	*	*			trans	-87	-178.4	167.3	0	0	0	0	0	113.9
146	P	51	Low	36.2	Very low	119 Å²	119	127.5 Å²	127.5	77%	0.773	81%	0.805	S	S	*	*			trans	-113.1	172.2	-145.1	40.1	-35.3	0	0	0	117.8
147	L	30.1	Very low	36.4	Very low	155 Å²	155	129.7 Å²	129.7	81%	0.812	80%	0.802	S	S	*	*			trans	112.2	112.6	151.5	-63.2	175.2	0	0	0	120
148	S	30.2	Very low	37.7	Very low	107 Å²	107	130.6 Å²	130.6	75%	0.748	80%	0.8	S	S	*	*			trans	87.7	128.6	130	-62.1	0	0	0	0	123.5
149	A	30.5	Very low	38.7	Very low	95 Å²	95	130 Å²	130	79%	0.785	80%	0.796	S	S	*	*			trans	71	147.1	155.3	0	0	0	0	0	117.7
150	T	30.9	Very low	38.4	Very low	128 Å²	128	132.2 Å²	132.2	79%	0.785	80%	0.795	S	S	*	*			cis	-155.6	166.6	4.3	-16.5	0	0	0	0	111.9
151	S	30.2	Very low	39.7	Very low	96 Å²	96	131.9 Å²	131.9	67%	0.671	79%	0.79	S	S	*	*			trans	52.1	110.4	155.6	52.8	0	0	0	0	120.1
152	L	30.1	Very low	39.6	Very low	167 Å²	167	128.2 Å²	128.2	87%	0.874	79%	0.786	S	S	*	*				77.1	109.2	78.7	-77.4	166.2	0	0	0	116.4
153	Q	33.7	Very low	39.7	Very low	194 Å²	194	132.5 Å²	132.5	91%	0.907	79%	0.791	S	S	*	*				-177.3	-179.4	120.3	-98.1	177	22.3	0	0	112.8
154	T	34.3	Very low	39.4	Very low	134 Å²	134	134.2 Å²	134.2	82%	0.822	79%	0.793	S	S	*	*			trans	-123.1	166.4	-150.1	36.9	0	0	0	0	116.3
155	P	61.7	Low	39.1	Very low	116 Å²	116	136.6 Å²	136.6	75%	0.753	79%	0.793	S	S	*	*			trans	-99	-175.4	-166.4	43	-39.3	0	0	0	114.3
156	P	53.8	Low	39.9	Very low	116 Å²	116	138.9 Å²	138.9	75%	0.753	79%	0.794	S	S	*	*				-161.1	157.3	91	40.9	-19.9	0	0	0	121.2
157	R	35.3	Very low	39.1	Very low	241 Å²	241	136.7 Å²	136.7	91%	0.909	79%	0.793	S	S	*	*			trans	71	143.6	142.6	-80.4	-174.7	167.7	-173.4	-4	126.3
158	P	60.6	Low	39.4	Very low	114 Å²	114	134.9 Å²	134.9	74%	0.74	79%	0.793	S	S	*	*			trans	-103.6	-155.2	166.2	45.2	-38	0	0	0	112.1
159	P	51.3	Low	39.5	Very low	107 Å²	107	138.2 Å²	138.2	70%	0.695	80%	0.797	S	S	*	*			cis	-149.5	-172.3	3.9	45.1	-23.1	0	0	0	120.6
160	Q	35.9	Very low	39.7	Very low	180 Å²	180	139.9 Å²	139.9	84%	0.841	80%	0.797	S	S	*	*			trans	75.1	-178.2	148.9	-84	-169.1	-20.2	0	0	120.7
161	P	58.6	Low	39.8	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	80%	0.798	S	S	*	*				-135.9	177.6	-79.2	42.3	-23.2	0	0	0	116.7
162	S	29.8	Very low	40.8	Very low	121 Å²	121	142.1 Å²	142.1	85%	0.846	80%	0.802	S	S	*	*			trans	-165.4	161.8	169.1	-90.2	0	0	0	0	113.9
163	I	35.3	Very low	42	Very low	157 Å²	157	139.5 Å²	139.5	81%	0.805	80%	0.795	S	S	*	*			trans	-150.3	143.3	-166.7	-76.6	137.3	0	0	0	112.6
164	L	32.5	Very low	43.5	Very low	170 Å²	170	135.9 Å²	135.9	89%	0.89	79%	0.789	S	S	*	*			trans	176.9	170.3	143.1	-99.7	160	0	0	0	116.3
165	Q	34	Very low	44	Very low	178 Å²	178	135.3 Å²	135.3	83%	0.832	79%	0.788	S	S	*	*			trans	-135.5	-171.3	-178.8	-99.3	-167.9	-1.6	0	0	109.4
166	P	49.2	Very low	42.7	Very low	119 Å²	119	135.5 Å²	135.5	77%	0.773	79%	0.787	S	S	*	*			cis	-144.4	-179.9	11.7	43.8	-23.7	0	0	0	119.6
167	G	33.4	Very low	41.7	Very low	72 Å²	72	136.1 Å²	136.1	74%	0.742	79%	0.788	S	S	*	*			trans	89.3	165.2	155.2	0	0	0	0	0	119.2
168	S	36.7	Very low	41.5	Very low	117 Å²	117	131.3 Å²	131.3	82%	0.818	78%	0.78	S	S	*	*			cis	163.9	140.4	-15.6	49.2	0	0	0	0	109.3
169	Q	32.7	Very low	40.1	Very low	177 Å²	177	133.1 Å²	133.1	83%	0.827	78%	0.784	S	S	*	*			cis	-155.9	159.3	1.7	-61.3	-159.7	87.9	0	0	113.1
170	V	33.3	Very low	39.1	Very low	130 Å²	130	131.6 Å²	131.6	79%	0.788	79%	0.787	S	S	*	*			trans	56.3	139.6	142.1	178.5	0	0	0	0	124.5
171	L	34.2	Very low	39.7	Very low	154 Å²	154	129.6 Å²	129.6	81%	0.806	79%	0.79	S	S	*	*			trans	-39.8	176.8	165.3	-72.9	157.2	0	0	0	119.1
172	P	50.8	Low	38.2	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	79%	0.793	S	S	*	*			cis	-132.3	-115.7	18.2	26.5	2.6	0	0	0	119.2
173	P	54.2	Low	38.3	Very low	112 Å²	112	127.6 Å²	127.6	73%	0.727	80%	0.796	S	S	*	*				-126.8	-175.1	-115.6	44.3	-25.5	0	0	0	117.4
174	P	65	Low	38.3	Very low	118 Å²	118	125.6 Å²	125.6	77%	0.766	80%	0.796	S	S	*	*			trans	-98.2	176.9	-169.2	40.6	-36.4	0	0	0	115.6
175	P	46.6	Very low	38.9	Very low	123 Å²	123	123.4 Å²	123.4	80%	0.799	79%	0.792	S	S	*	*				-157.1	-176.9	105.1	42	-22.3	0	0	0	119.1
176	T	34.1	Very low	38.7	Very low	119 Å²	119	122.3 Å²	122.3	73%	0.73	79%	0.791	S	S	*	*			trans	-39.9	164	174.1	55.6	0	0	0	0	122.1
177	T	31.3	Very low	38	Very low	129 Å²	129	124.1 Å²	124.1	79%	0.791	79%	0.793	S	S	*	*				-178.2	145.2	119.3	26	0	0	0	0	118.5
178	L	31.8	Very low	39	Very low	141 Å²	141	126.1 Å²	126.1	74%	0.738	79%	0.793	S	S	*	*			trans	46.1	128.6	146.8	-88.6	74	0	0	0	127.6
179	N	31.7	Very low	39.9	Very low	152 Å²	152	125.4 Å²	125.4	81%	0.813	79%	0.786	S	S	*	*				61.4	145.2	129.5	-62	-1.7	0	0	0	125.4
180	G	29.5	Very low	40	Very low	74 Å²	74	125 Å²	125	76%	0.763	79%	0.786	S	S	*	*			trans	-99.4	-141.3	168.8	0	0	0	0	0	113
181	P	48.2	Very low	39.9	Very low	139 Å²	139	129.1 Å²	129.1	90%	0.903	79%	0.789	S	S	*	*			cis	-134.7	-173.9	-0	43.7	-27	0	0	0	115.2
182	G	28.3	Very low	39.9	Very low	72 Å²	72	130.6 Å²	130.6	74%	0.742	78%	0.784	S	S	*	*			trans	160.7	118.4	158	0	0	0	0	0	121.4
183	A	32.5	Very low	40.2	Very low	109 Å²	109	130.6 Å²	130.6	90%	0.901	78%	0.784	S	S	*	*			trans	49.7	154	143.7	0	0	0	0	0	125
184	S	34.3	Very low	39.2	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	78%	0.779	S	S	*	*			trans	-112.5	170	176.4	-43.6	0	0	0	0	112.7
185	P	46.3	Very low	37.6	Very low	124 Å²	124	127.8 Å²	127.8	81%	0.805	77%	0.769	S	S	*	*				-151.8	141.4	115.7	36.1	-18	0	0	0	119.1
186	L	29.6	Very low	37	Very low	155 Å²	155	130.4 Å²	130.4	81%	0.812	78%	0.775	S	S	*	*			trans	21.9	125.5	140.6	-59.2	167.6	0	0	0	124.4
187	L	33.4	Very low	36.8	Very low	157 Å²	157	130.2 Å²	130.2	82%	0.822	78%	0.779	S	S	*	*				29.9	164.9	114.1	-64.4	174	0	0	0	121.7
188	P	53.8	Low	36.7	Very low	114 Å²	114	127.5 Å²	127.5	74%	0.74	78%	0.776	S	S	*	*			cis	-139.7	-141.1	18.7	44.8	-22.3	0	0	0	112.7
189	P	56.7	Low	37.5	Very low	103 Å²	103	126.9 Å²	126.9	67%	0.669	78%	0.781	S	S	*	*			cis	-139.5	150.5	-18.5	36.6	-16.1	0	0	0	119.6
190	M	35.1	Very low	38.6	Very low	168 Å²	168	125.3 Å²	125.3	83%	0.828	78%	0.779	S	S	*	*			trans	64.3	161.7	136.8	-67.8	-165.3	174.1	0	0	121.5
191	Y	30.9	Very low	39.8	Very low	217 Å²	217	127.5 Å²	127.5	85%	0.851	78%	0.78	S	S	*	*			cis	-137.5	177.3	31.2	-127.1	-91.8	0	0	0	117.3
192	R	33.6	Very low	40	Very low	185 Å²	185	126.8 Å²	126.8	70%	0.698	78%	0.775	S	S	*	*			trans	-125.1	-157.5	-169.1	-132.7	-169.5	-176.3	-156.6	1.7	110.7	D194	R192-D194 WeakPolarHBondContact CD-OD1 3.48Å; R192-D194 IonicContact CZ-OD1 3.52Å; R192-D194 IonicContact CZ-OD2 3.5Å; R192-D194 IonicContact NE-OD1 3.78Å; R192-D194 IonicContact NH1-OD1 2.72Å; R192-D194 PolarHBondContact NH1-OD1 3.17Å; R192-D194 IonicContact NH1-OD2 2.7Å; R192-D194 PolarHBondContact NH1-OD2 2.78Å; R192-D194 IonicContact NH2-OD2 3.39Å
193	P	57.1	Low	40.5	Very low	117 Å²	117	130.7 Å²	130.7	76%	0.76	78%	0.779	S	S	*	*			cis	-128	-157.7	16.9	47.6	-30.4	0	0	0	112.4
194	D	32.6	Very low	40.6	Very low	116 Å²	116	130.9 Å²	130.9	62%	0.62	77%	0.774	S	S	*	*				-150.9	-168.7	-55.4	-114.5	90.7	0	0	0	107.4	R192	R192-D194 WeakPolarHBondContact CD-OD1 3.48Å; R192-D194 IonicContact CZ-OD1 3.52Å; R192-D194 IonicContact CZ-OD2 3.5Å; R192-D194 IonicContact NE-OD1 3.78Å; R192-D194 IonicContact NH1-OD1 2.72Å; R192-D194 PolarHBondContact NH1-OD1 3.17Å; R192-D194 IonicContact NH1-OD2 2.7Å; R192-D194 PolarHBondContact NH1-OD2 2.78Å; R192-D194 IonicContact NH2-OD2 3.39Å
195	G	31.9	Very low	40.5	Very low	54 Å²	54	133.6 Å²	133.6	56%	0.557	77%	0.774	S	S	*	*			cis	145.7	174.7	-1.4	0	0	0	0	0	112.2
196	L	34.6	Very low	39.8	Very low	178 Å²	178	138.5 Å²	138.5	93%	0.932	78%	0.778	S	S	*	*			trans	68	140.8	175.3	-57.2	171.5	0	0	0	117.4
197	S	30	Very low	40.1	Very low	115 Å²	115	139.7 Å²	139.7	80%	0.804	78%	0.779	S	S	*	*			cis	-156.9	172.7	-4.7	45.2	0	0	0	0	112.4
198	G	29.7	Very low	40.6	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	78%	0.779	S	S	*	*			trans	-87.2	-157.5	-177.9	0	0	0	0	0	115.7
199	P	48	Very low	40.4	Very low	129 Å²	129	138 Å²	138	84%	0.838	78%	0.777	S	S	*	*			cis	-141.1	-164.3	21.2	45.7	-24.5	0	0	0	115.7
200	P	53.8	Low	39.8	Very low	118 Å²	118	138.9 Å²	138.9	77%	0.766	78%	0.783	S	S	*	*			trans	-108.9	-164.7	-176.9	43.3	-33.8	0	0	0	113.8
201	P	56.3	Low	40	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	78%	0.784	S	S	*	*			cis	-116.5	-116.2	-5	36.5	-13.5	0	0	0	112.9
202	P	52.2	Low	40.7	Very low	125 Å²	125	133.8 Å²	133.8	81%	0.812	78%	0.78	S	S	*	*			cis	-127.1	-143.1	6.6	44.9	-24.8	0	0	0	115.3
203	N	39.4	Very low	40.9	Very low	154 Å²	154	128.5 Å²	128.5	82%	0.824	78%	0.783	S	S	*	*			trans	-148.5	149	-178.3	177	28.8	0	0	0	111.9
204	S	33.4	Very low	40	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	79%	0.786	S	S	*	*			trans	-165	163.2	168.8	56.4	0	0	0	0	115.1
205	Q	32.4	Very low	40	Very low	172 Å²	172	131.2 Å²	131.2	80%	0.804	79%	0.79	S	S	*	*			trans	-101.4	166	-173.6	-58.5	164.4	-52	0	0	113.2
206	Y	32.3	Very low	40	Very low	227 Å²	227	136.6 Å²	136.6	89%	0.89	81%	0.805	S	S	*	*				174.9	145.5	123.3	-99.4	-70.5	0	0	0	113.4
207	Q	34.8	Very low	39.9	Very low	179 Å²	179	131 Å²	131	84%	0.836	79%	0.79	S	S	*	*			trans	-106.9	159.6	160	-69.4	-177.7	-58.6	0	0	108.9
208	P	43.3	Very low	40	Very low	125 Å²	125	131.1 Å²	131.1	81%	0.812	80%	0.798	S	S	*	*				-149.4	-149.7	97.5	39.8	-17.5	0	0	0	113.3
209	P	51.3	Low	39.9	Very low	110 Å²	110	130.8 Å²	130.8	71%	0.714	80%	0.795	S	S	*	*				-131.5	172.1	-99.9	41.5	-23.6	0	0	0	116.9
210	P	43.4	Very low	39.2	Very low	122 Å²	122	135.9 Å²	135.9	79%	0.792	80%	0.799	S	S	*	*			trans	-111.7	146.8	171.3	38.3	-29.8	0	0	0	115.1
211	L	39.3	Very low	39.4	Very low	161 Å²	161	135.7 Å²	135.7	84%	0.843	80%	0.798	S	S	*	*			trans	-156.4	163.2	176.6	-78.6	174.4	0	0	0	109.9
212	P	46.4	Very low	39.3	Very low	117 Å²	117	134.7 Å²	134.7	76%	0.76	79%	0.791	S	S	*	*				-143.1	159.7	-52.2	39.1	-21.5	0	0	0	115.9
213	G	36.5	Very low	38.5	Very low	74 Å²	74	136.5 Å²	136.5	76%	0.763	79%	0.789	S	S	*	*			trans	85.2	165.8	153.6	0	0	0	0	0	118.6
214	Q	38	Very low	38.3	Very low	177 Å²	177	136.9 Å²	136.9	83%	0.827	79%	0.786	S	S	*	*			cis	-163.1	132.7	-4.7	-132.8	-174.2	22.2	0	0	113.1
215	T	32.2	Very low	38.3	Very low	114 Å²	114	135.1 Å²	135.1	70%	0.699	78%	0.778	S	S	*	*			trans	56.6	162	142.2	46.5	0	0	0	0	121.7
216	L	33.2	Very low	38.4	Very low	167 Å²	167	134.1 Å²	134.1	87%	0.874	78%	0.778	S	S	*	*			cis	-155	166	-1.5	-107.5	147.1	0	0	0	106
217	G	32.3	Very low	38.4	Very low	61 Å²	61	128.3 Å²	128.3	63%	0.629	77%	0.77	S	S	*	*			cis	165.1	169.7	-3.3	0	0	0	0	0	113.7
218	A	31.2	Very low	38.4	Very low	116 Å²	116	123.2 Å²	123.2	96%	0.959	77%	0.766	S	S	*	*			trans	73.7	147.1	166.2	0	0	0	0	0	120.7
219	G	28.2	Very low	38.9	Very low	66 Å²	66	123 Å²	123	68%	0.68	77%	0.765	S	S	*	*			cis	169.6	126.4	-12.9	0	0	0	0	0	117.9
220	Y	33	Very low	38	Very low	236 Å²	236	126.1 Å²	126.1	93%	0.925	77%	0.77	S	S	*	*			trans	70.5	148	155.6	-76.8	-95.4	0	0	0	122
221	P	58.3	Low	37.5	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	77%	0.773	S	S	*	*			trans	-112.1	-122	-170.2	38.7	-17.8	0	0	0	111.3
222	P	53.4	Low	37.2	Very low	99 Å²	99	125.3 Å²	125.3	64%	0.643	77%	0.769	S	S	*	*			cis	-137.5	-174.3	11.1	46.3	-27.5	0	0	0	117.4
223	Q	36.3	Very low	36.4	Very low	162 Å²	162	123.6 Å²	123.6	76%	0.757	77%	0.772	S	S	*	*			trans	71.9	149.8	159.9	-63.7	-168.7	17.8	0	0	119.1
224	Q	34.2	Very low	36.1	Very low	163 Å²	163	124.7 Å²	124.7	76%	0.762	77%	0.774	S	S	*	*			cis	-160.4	163.8	-9.7	-115.9	-168.7	93.9	0	0	106.2
225	A	33.3	Very low	35.7	Very low	75 Å²	75	124.9 Å²	124.9	62%	0.62	78%	0.775	S	S	*	*			cis	-154.8	-165.7	-12.4	0	0	0	0	0	104.7
226	N	35.6	Very low	35.5	Very low	152 Å²	152	126.7 Å²	126.7	81%	0.813	78%	0.78	S	S	*	*			cis	-161.5	-176.2	-7.7	-138.3	-0.7	0	0	0	104.1
227	S	32	Very low	35.3	Very low	104 Å²	104	124.1 Å²	124.1	73%	0.727	78%	0.775	S	S	*	*			cis	-169	157.5	-13.5	35	0	0	0	0	104.7
228	G	34.1	Very low	35.2	Very low	72 Å²	72	132 Å²	132	74%	0.742	79%	0.788	S	S	*	*			cis	-169.1	-158.2	9.2	0	0	0	0	0	111
229	P	55.1	Low	36	Very low	122 Å²	122	132 Å²	132	79%	0.792	78%	0.778	S	S	*	*			trans	-117.6	-176	-163.6	34.1	-14.7	0	0	0	113.4
230	Q	32.3	Very low	36.1	Very low	174 Å²	174	132.9 Å²	132.9	81%	0.813	79%	0.787	S	S	*	*			cis	-149.1	158.1	33.5	-72.9	173.9	-50.6	0	0	110
231	M	32.5	Very low	35.8	Very low	176 Å²	176	125.5 Å²	125.5	87%	0.867	78%	0.783	S	S	*	*				55.3	136.2	61.7	-71.6	-79.9	-77.6	0	0	113.6
232	A	32.4	Very low	34.7	Very low	91 Å²	91	130.1 Å²	130.1	75%	0.752	79%	0.792	S	S	*	*			cis	-163.4	173.9	-8.5	0	0	0	0	0	109.8
233	G	29.6	Very low	34.1	Very low	81 Å²	81	131.4 Å²	131.4	84%	0.835	80%	0.8	S	S	*	*			trans	164.4	158.3	171.5	0	0	0	0	0	114.9
234	A	31.6	Very low	34.2	Very low	97 Å²	97	127.5 Å²	127.5	80%	0.802	80%	0.804	S	S	*	*			trans	-150.3	155	-171.8	0	0	0	0	0	116.1
235	Q	29.1	Very low	34	Very low	180 Å²	180	123.1 Å²	123.1	84%	0.841	80%	0.802	S	S	*	*			trans	53.7	126.2	160.2	-64	-164.8	-21.9	0	0	121.8
236	L	28.7	Very low	34.1	Very low	153 Å²	153	125.8 Å²	125.8	80%	0.801	81%	0.813	S	S	*	*				165.4	141.6	110.5	-92.6	158.5	0	0	0	114.3
237	S	27.9	Very low	34.3	Very low	112 Å²	112	123.2 Å²	123.2	78%	0.783	81%	0.813	S	S	*	*			trans	50.1	140.1	149.2	-60.5	0	0	0	0	125.8
238	Y	30.6	Very low	34.5	Very low	228 Å²	228	127.4 Å²	127.4	89%	0.894	82%	0.821	S	S	*	*			trans	-62.3	177.7	158.8	-87.3	-89	0	0	0	114.1
239	P	47.1	Very low	34.7	Very low	115 Å²	115	132 Å²	132	75%	0.747	83%	0.828	S	S	*	*			cis	-136.2	157.8	-9.9	31.1	-11.1	0	0	0	117.2
240	G	30.6	Very low	33.7	Very low	85 Å²	85	131 Å²	131	88%	0.876	83%	0.83	S	S	*	*			trans	89.3	154.1	137.4	0	0	0	0	0	120.1
241	G	27.7	Very low	34.1	Very low	81 Å²	81	125.6 Å²	125.6	84%	0.835	82%	0.82	S	S	*	*			trans	129.9	111.3	168.8	0	0	0	0	0	115.6
242	F	35.5	Very low	34.4	Very low	210 Å²	210	123 Å²	123	92%	0.921	82%	0.816	S	S	*	*			trans	-85.1	147.9	157.2	-84.4	-86.3	0	0	0	109
243	P	39	Very low	34.9	Very low	126 Å²	126	124.6 Å²	124.6	82%	0.818	82%	0.82	S	S	*	*				-136.5	167.1	99.6	37.6	-26.7	0	0	0	113.7
244	G	39.3	Very low	35.2	Very low	81 Å²	81	129.3 Å²	129.3	84%	0.835	82%	0.82	S	S	*	*			trans	-86.8	157.1	-175.4	0	0	0	0	0	115.4
245	G	29.4	Very low	35.7	Very low	70 Å²	70	130.4 Å²	130.4	72%	0.722	82%	0.819	S	S	*	*			trans	-139.9	159.6	170	0	0	0	0	0	110.4
246	P	35.2	Very low	36.2	Very low	131 Å²	131	131 Å²	131	85%	0.851	82%	0.822	S	S	*	*			trans	-79.2	157.3	-156.9	30.2	-36.4	0	0	0	115.4
247	A	41.4	Very low	37.1	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	83%	0.826	S	S	*	*			trans	-65.5	145.4	179.4	0	0	0	0	0	113.4
248	Q	35.8	Very low	38.3	Very low	192 Å²	192	137.7 Å²	137.7	90%	0.897	83%	0.83	S	S	*	*			trans	-106	151.2	162.2	-72	-170.6	-11.3	0	0	110.5
249	L	37.5	Very low	39.9	Very low	168 Å²	168	131.5 Å²	131.5	88%	0.88	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.2	147.7	-170.1	-74	74.1	0	0	0	112	G251	L249-G251 PolarHBondContact O-N 3.1Å
250	A	35.7	Very low	40.9	Very low	102 Å²	102	130.6 Å²	130.6	84%	0.843	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.7	168.9	0	0	0	0	0	110.6
251	G	38.7	Very low	42.6	Very low	59 Å²	59	129.6 Å²	129.6	61%	0.608	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.7	161.1	166	0	0	0	0	0	111.6	L249	L249-G251 PolarHBondContact O-N 3.1Å
252	P	39.8	Very low	44.9	Very low	121 Å²	121	130.4 Å²	130.4	79%	0.786	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-61.7	150.1	177.9	27.1	-34.8	0	0	0	111.3	Q254	P252-Q254 PolarHBondContact O-N 3.23Å
253	P	42.8	Very low	46.8	Very low	126 Å²	126	124.2 Å²	124.2	82%	0.818	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.9	178.2	-21.7	32.5	0	0	0	111
254	Q	35.6	Very low	49	Very low	179 Å²	179	119.2 Å²	119.2	84%	0.836	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-61.1	135.8	168.8	-73.4	-171.1	-10.2	0	0	109.2	P252 Q256	P252-Q254 PolarHBondContact O-N 3.23Å; Q254-Q256 PolarHBondContact O-N 3.12Å
255	P	41.7	Very low	51.2	Low	121 Å²	121	117.3 Å²	117.3	79%	0.786	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.7	134	173.7	26.2	-33.5	0	0	0	109.1	K257	P255-K257 PolarHBondContact O-N 2.65Å; P255-K257 VanDerWaalsContact O-N 3.08Å
256	Q	41.3	Very low	54.2	Low	192 Å²	192	114.7 Å²	114.7	90%	0.897	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-54.7	119.6	174.1	-72.1	179.3	-32.2	0	0	108.8	Q254 K258	Q254-Q256 PolarHBondContact O-N 3.12Å; Q256-K258 PolarHBondContact O-N 2.73Å
257	K	46.7	Very low	57.1	Low	207 Å²	207	108.5 Å²	108.5	90%	0.9	62%	0.616	S	S	*	*			trans	-59.7	105.6	171.7	-80	-170.9	175.3	-175.3	0	108.1	P255 L259	P255-K257 PolarHBondContact O-N 2.65Å; P255-K257 VanDerWaalsContact O-N 3.08Å; K257-L259 PolarHBondContact O-N 2.8Å
258	K	53.7	Low	59.7	Low	199 Å²	199	104.5 Å²	104.5	87%	0.865	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-58.4	118.9	173.6	-166	179.8	-177.4	-172.6	0	107.2	Q256 D260	Q256-K258 PolarHBondContact O-N 2.73Å; K258-D260 PolarHBondContact O-N 2.85Å
259	L	63.2	Low	62.6	Low	98 Å²	98	100.7 Å²	100.7	51%	0.513	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-57.4	132.1	177.3	-81.3	159.8	0	0	0	109.2	K257 P261 V1017	K257-L259 PolarHBondContact O-N 2.8Å; L259-P261 WeakPolarHBondContact O-CD 3.17Å; L259-V1017 HydrophobicContact CB-CG1 4.46Å
260	D	68.5	Low	65.4	Low	96 Å²	96	94.6 Å²	94.6	51%	0.513	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-69.6	118.7	177	-177.1	-16.1	0	0	0	108.9	K258 D262 S263	K258-D260 PolarHBondContact O-N 2.85Å; D260-D262 PolarHBondContact O-N 2.72Å; D260-D262 VanDerWaalsContact O-N 3.1Å; D260-D262 PolarHBondContact OD1-N 2.9Å; D260-S263 WeakPolarHBondContact O-CB 3.32Å; D260-S263 PolarHBondContact O-N 2.96Å; D260-S263 PolarHBondContact O-OG 2.68Å
261	P	66.1	Low	68.3	Low	64 Å²	64	90.5 Å²	90.5	42%	0.416	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.5	179.3	-24.8	35.8	0	0	0	114.5	L259 I264 R907	L259-P261 WeakPolarHBondContact O-CD 3.17Å; P261-I264 WeakPolarHBondContact O-CG1 3.49Å; P261-R907 PolarHBondContact O-NH1 3.38Å; P261-R907 PolarHBondContact O-NH2 3.29Å
262	D	75.7	Confident	71.1	Confident	97 Å²	97	91.1 Å²	91.1	52%	0.519	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.2	176.9	-76.9	-8.4	0	0	0	113.6	D260 R907 R912	D260-D262 PolarHBondContact O-N 2.72Å; D260-D262 VanDerWaalsContact O-N 3.1Å; D260-D262 PolarHBondContact OD1-N 2.9Å; D262-R907 IonicContact OD1-NH1 3.51Å; D262-R907 PolarHBondContact OD1-NH1 3.33Å; D262-R907 VanDerWaalsContact OD1-NH1 3.13Å; D262-R912 IonicContact OD1-CZ 3.46Å; D262-R912 IonicContact OD1-NH2 3.78Å; D262-R912 PolarHBondContact OD1-NH2 2.95Å; D262-R912 IonicContact OD2-CZ 3.59Å; D262-R912 IonicContact OD2-NH2 2.75Å; D262-R912 PolarHBondContact OD2-NH2 2.59Å
263	S	75.5	Confident	73.8	Confident	81 Å²	81	90 Å²	90	57%	0.566	47%	0.471	S	S	*	.	S	Bend	trans	-89.1	-4.5	171.5	71.7	0	0	0	0	114.8	D260	D260-S263 WeakPolarHBondContact O-CB 3.32Å; D260-S263 PolarHBondContact O-N 2.96Å; D260-S263 PolarHBondContact O-OG 2.68Å
264	I	84.8	Confident	76.4	Confident	21 Å²	21	85.1 Å²	85.1	11%	0.108	44%	0.438	C	S	.	.	S	Bend	trans	-104.7	154.3	-179.1	59	175.4	0	0	0	112.1	P261 S266 Y1016 V1017 L1020	P261-I264 WeakPolarHBondContact O-CG1 3.49Å; I264-S266 PolarHBondContact O-N 3.15Å; I264-Y1016 HydrophobicContact CB-CE1 4.46Å; I264-Y1016 HydrophobicContact CD1-CD1 3.58Å; I264-Y1016 HydrophobicContact CD1-CE1 3.52Å; I264-Y1016 HydrophobicContact CD1-CG 4.33Å; I264-Y1016 HydrophobicContact CG1-CD1 4.43Å; I264-Y1016 HydrophobicContact CG1-CE1 3.96Å; I264-V1017 HydrophobicContact CD1-CG2 3.9Å; I264-L1020 HydrophobicContact CB-CD1 4.22Å; I264-L1020 HydrophobicContact CD1-CD1 4.04Å; I264-L1020 HydrophobicContact CG2-CD1 4.06Å
265	P	86.9	Confident	79.3	Confident	40 Å²	40	81.4 Å²	81.4	26%	0.26	42%	0.417	S	S	.	.			trans	-55.5	122.1	-174.1	-27.7	35.7	0	0	0	114.5	K840 V841 Y1016	P265-K840 HydrophobicContact CB-CB 4.34Å; P265-K840 WeakPolarHBondContact CB-O 3.29Å; P265-V841 HydrophobicContact CB-CG1 4.39Å; P265-Y1016 WeakPolarHBondContact O-CE1 3.36Å; P265-Y1016 PolarHBondContact O-OH 3.13Å
266	S	92.1	Very high	81.9	Confident	16 Å²	16	80 Å²	80	11%	0.112	42%	0.415	C	S	.	.			trans	-92.3	127.5	177.5	172.3	0	0	0	0	111.4	I264 I268 Q269 V270	I264-S266 PolarHBondContact O-N 3.15Å; S266-I268 VanDerWaalsContact C-N 3.27Å; S266-I268 PolarHBondContact O-N 3.11Å; S266-I268 PolarHBondContact OG-N 3.28Å; S266-Q269 PolarHBondContact O-N 3.04Å; S266-Q269 PolarHBondContact OG-N 3.27Å; S266-V270 PolarHBondContact O-N 2.86Å
267	P	95.8	Very high	84.5	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-52	-43.6	169.5	-32	40.3	0	0	0	113.5	Q269 V270 I271 V841 V844 Y845 Y886	P267-Q269 VanDerWaalsContact C-N 3.33Å; P267-Q269 PolarHBondContact O-N 3.4Å; P267-V270 PolarHBondContact O-N 3.38Å; P267-I271 WeakPolarHBondContact O-CD1 3.41Å; P267-I271 VanDerWaalsContact O-CG1 3.26Å; P267-I271 WeakPolarHBondContact O-CG1 3.38Å; P267-I271 PolarHBondContact O-N 2.84Å; P267-V841 HydrophobicContact CG-CB 4.48Å; P267-V841 HydrophobicContact CG-CG1 4.22Å; P267-V844 HydrophobicContact CG-CG1 3.66Å; P267-V844 HydrophobicContact CG-CG2 4.24Å; P267-Y845 HydrophobicContact CB-CE1 3.88Å; P267-Y845 HydrophobicContact CG-CE1 3.89Å; P267-Y886 HydrophobicContact CB-CD1 4.21Å; P267-Y886 HydrophobicContact CB-CD2 4.43Å; P267-Y886 HydrophobicContact CB-CE1 3.84Å; P267-Y886 HydrophobicContact CB-CE2 4.07Å; P267-Y886 HydrophobicContact CB-CG 4.49Å; P267-Y886 HydrophobicContact CG-CD2 4.14Å; P267-Y886 HydrophobicContact CG-CE1 4.34Å; P267-Y886 HydrophobicContact CG-CE2 3.65Å
268	I	96.4	Very high	86.9	Confident	16 Å²	16	67.3 Å²	67.3	8%	0.082	36%	0.364	C	S	.	.	H	α-helix	trans	-59.1	-46.2	179	-54.4	-49.5	0	0	0	110.6	S266 V270 I271 E272 Y886 A905 R907	S266-I268 VanDerWaalsContact C-N 3.27Å; S266-I268 PolarHBondContact O-N 3.11Å; S266-I268 PolarHBondContact OG-N 3.28Å; I268-V270 VanDerWaalsContact C-N 3.34Å; I268-V270 PolarHBondContact O-N 3.48Å; I268-I271 PolarHBondContact O-N 3.43Å; I268-E272 HydrophobicContact CG2-CG 4.28Å; I268-E272 WeakPolarHBondContact O-CB 3.24Å; I268-E272 WeakPolarHBondContact O-CG 3.48Å; I268-E272 PolarHBondContact O-N 3.45Å; I268-Y886 HydrophobicContact CD1-CE1 3.88Å; I268-A905 HydrophobicContact CD1-CB 3.81Å; I268-A905 HydrophobicContact CG2-CB 4.38Å; I268-A905 WeakPolarHBondContact CG2-O 3.29Å; I268-R907 HydrophobicContact CG1-CG 4.07Å
269	Q	95.8	Very high	88.8	Confident	111 Å²	111	59.2 Å²	59.2	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-65.6	-36	-178.7	-168.2	-175.5	28.3	0	0	112.3	S266 P267 N273	S266-Q269 PolarHBondContact O-N 3.04Å; S266-Q269 PolarHBondContact OG-N 3.27Å; P267-Q269 VanDerWaalsContact C-N 3.33Å; P267-Q269 PolarHBondContact O-N 3.4Å; Q269-N273 VanDerWaalsContact O-CB 3.26Å; Q269-N273 WeakPolarHBondContact O-CB 3.41Å; Q269-N273 PolarHBondContact O-N 3.46Å; Q269-N273 PolarHBondContact O-ND2 2.93Å; Q269-N273 VanDerWaalsContact O-ND2 3.14Å
270	V	97.1	Very high	90.1	Very high	40 Å²	40	57.5 Å²	57.5	24%	0.242	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-43.4	174.7	173.3	0	0	0	0	111	S266 P267 I268 N273 D274 L294 K840 V841	S266-V270 PolarHBondContact O-N 2.86Å; P267-V270 PolarHBondContact O-N 3.38Å; I268-V270 VanDerWaalsContact C-N 3.34Å; I268-V270 PolarHBondContact O-N 3.48Å; V270-N273 PolarHBondContact O-N 2.9Å; V270-D274 PolarHBondContact O-N 2.96Å; V270-D274 VanDerWaalsContact O-N 3.11Å; V270-L294 HydrophobicContact CG1-CD1 4.05Å; V270-K840 HydrophobicContact CG2-CB 4.46Å; V270-V841 HydrophobicContact CB-CG1 4.32Å; V270-V841 HydrophobicContact CG1-CG2 4.46Å; V270-V841 HydrophobicContact CG2-CG1 3.74Å
271	I	97.3	Very high	91.4	Very high	16 Å²	16	58.1 Å²	58.1	8%	0.082	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.6	-68.9	164.3	0	0	0	111	P267 I268 R275 T296	P267-I271 WeakPolarHBondContact O-CD1 3.41Å; P267-I271 VanDerWaalsContact O-CG1 3.26Å; P267-I271 WeakPolarHBondContact O-CG1 3.38Å; P267-I271 PolarHBondContact O-N 2.84Å; I268-I271 PolarHBondContact O-N 3.43Å; I271-R275 WeakPolarHBondContact O-CB 3.39Å; I271-R275 WeakPolarHBondContact O-CG 3.47Å; I271-R275 PolarHBondContact O-N 3.28Å; I271-T296 HydrophobicContact CD1-CG2 4.04Å; I271-T296 HydrophobicContact CG1-CG2 4.07Å; I271-T296 HydrophobicContact CG2-CG2 4.36Å
272	E	96.2	Very high	92.9	Very high	73 Å²	73	59.4 Å²	59.4	34%	0.341	35%	0.35	S	S	.	.	H	α-helix	trans	-70.3	-34	-178.7	-71.6	176.6	166.2	0	0	112.5	I268 A276	I268-E272 HydrophobicContact CG2-CG 4.28Å; I268-E272 WeakPolarHBondContact O-CB 3.24Å; I268-E272 WeakPolarHBondContact O-CG 3.48Å; I268-E272 PolarHBondContact O-N 3.45Å; E272-A276 VanDerWaalsContact O-CB 3.27Å; E272-A276 WeakPolarHBondContact O-CB 3.34Å; E272-A276 PolarHBondContact O-N 3.26Å
273	N	96.7	Very high	94	Very high	98 Å²	98	55.9 Å²	55.9	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-67.3	-42.9	173.9	-74.6	-21.6	0	0	0	112.8	Q269 V270 A276 S277	Q269-N273 VanDerWaalsContact O-CB 3.26Å; Q269-N273 WeakPolarHBondContact O-CB 3.41Å; Q269-N273 PolarHBondContact O-N 3.46Å; Q269-N273 PolarHBondContact O-ND2 2.93Å; Q269-N273 VanDerWaalsContact O-ND2 3.14Å; V270-N273 PolarHBondContact O-N 2.9Å; N273-A276 PolarHBondContact O-N 2.91Å; N273-S277 WeakPolarHBondContact O-CB 3.29Å; N273-S277 PolarHBondContact O-N 3.3Å; N273-S277 PolarHBondContact O-OG 3.25Å
274	D	97.3	Very high	95	Very high	23 Å²	23	52.8 Å²	52.8	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-67.4	-39.7	175.8	-168.9	79.4	0	0	0	110.7	V270 S277 R278 L294 T297	V270-D274 PolarHBondContact O-N 2.96Å; V270-D274 VanDerWaalsContact O-N 3.11Å; D274-S277 PolarHBondContact O-N 2.94Å; D274-S277 PolarHBondContact O-OG 3.31Å; D274-R278 WeakPolarHBondContact O-CB 3.45Å; D274-R278 PolarHBondContact O-N 3.16Å; D274-R278 WeakPolarHBondContact OD1-CD 3.08Å; D274-R278 IonicContact OD1-NH1 3.45Å; D274-L294 HydrophobicContact CB-CD1 3.77Å; D274-L294 HydrophobicContact CB-CG 4.02Å; D274-L294 PolarHBondContact OD2-N 3.37Å; D274-T297 VanDerWaalsContact OD2-CB 3.25Å; D274-T297 WeakPolarHBondContact OD2-CB 3.31Å; D274-T297 PolarHBondContact OD2-OG1 3.16Å
275	R	96.1	Very high	95.7	Very high	101 Å²	101	51.9 Å²	51.9	38%	0.381	30%	0.304	S	S	.	.	H	α-helix	trans	-59.4	-47.5	171.7	-75.9	170.6	174.3	177.9	-2.6	113	I271 S277 G279 T296 T297	I271-R275 WeakPolarHBondContact O-CB 3.39Å; I271-R275 WeakPolarHBondContact O-CG 3.47Å; I271-R275 PolarHBondContact O-N 3.28Å; R275-S277 VanDerWaalsContact C-N 3.31Å; R275-S277 PolarHBondContact O-N 3.39Å; R275-G279 VanDerWaalsContact O-CA 3.23Å; R275-G279 WeakPolarHBondContact O-CA 3.22Å; R275-G279 PolarHBondContact O-N 2.98Å; R275-T296 VanDerWaalsContact CZ-O 3.29Å; R275-T296 PolarHBondContact NE-O 3.19Å; R275-T296 PolarHBondContact NH2-O 3Å; R275-T297 HydrophobicContact CG-CG2 4.42Å; R275-T297 PolarHBondContact N-OG1 3.01Å
276	A	96.3	Very high	96.2	Very high	90 Å²	90	54 Å²	54	74%	0.744	31%	0.313	S	S	*	.	H	α-helix	trans	-68.1	-31.2	-179.2	0	0	0	0	0	112.8	E272 N273	E272-A276 VanDerWaalsContact O-CB 3.27Å; E272-A276 WeakPolarHBondContact O-CB 3.34Å; E272-A276 PolarHBondContact O-N 3.26Å; N273-A276 PolarHBondContact O-N 2.91Å
277	S	96.5	Very high	96.5	Very high	70 Å²	70	56.8 Å²	56.8	49%	0.49	33%	0.33	S	S	.	.	H	α-helix	trans	-92.8	-19.3	-177.8	56.5	0	0	0	0	114.7	N273 D274 R275 Q281	N273-S277 WeakPolarHBondContact O-CB 3.29Å; N273-S277 PolarHBondContact O-N 3.3Å; N273-S277 PolarHBondContact O-OG 3.25Å; D274-S277 PolarHBondContact O-N 2.94Å; D274-S277 PolarHBondContact O-OG 3.31Å; R275-S277 VanDerWaalsContact C-N 3.31Å; R275-S277 PolarHBondContact O-N 3.39Å; S277-Q281 PolarHBondContact O-NE2 3.25Å
278	R	96.1	Very high	96.6	Very high	63 Å²	63	61 Å²	61	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-138.7	-12.7	-172.3	-46.7	178.9	79.5	178.3	-1.4	115.2	D274 Q281 I291 P292 P293 T297	D274-R278 WeakPolarHBondContact O-CB 3.45Å; D274-R278 PolarHBondContact O-N 3.16Å; D274-R278 WeakPolarHBondContact OD1-CD 3.08Å; D274-R278 IonicContact OD1-NH1 3.45Å; R278-Q281 PolarHBondContact O-N 3Å; R278-I291 PolarHBondContact NH2-O 2.86Å; R278-P292 VanDerWaalsContact NH1-C 3.29Å; R278-P292 PolarHBondContact NH1-O 3.37Å; R278-P293 HydrophobicContact CB-CB 4.47Å; R278-P293 HydrophobicContact CB-CG 4.43Å; R278-T297 HydrophobicContact CB-CG2 4.34Å
279	G	94.4	Very high	96.6	Very high	29 Å²	29	60.6 Å²	60.6	30%	0.299	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	145	178.5	0	0	0	0	0	112.1	R275 Q281 D298	R275-G279 VanDerWaalsContact O-CA 3.23Å; R275-G279 WeakPolarHBondContact O-CA 3.22Å; R275-G279 PolarHBondContact O-N 2.98Å; G279-Q281 PolarHBondContact O-N 2.96Å; G279-D298 WeakPolarHBondContact CA-O 3.45Å
280	G	91.2	Very high	96.7	Very high	63 Å²	63	57.8 Å²	57.8	65%	0.649	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-4.3	-178.3	0	0	0	0	0	116.1	D298	G280-D298 PolarHBondContact N-O 3.26Å
281	Q	95	Very high	96.8	Very high	108 Å²	108	59 Å²	59	51%	0.505	34%	0.337	S	S	.	.	S	Bend	trans	-84.9	165.9	176.3	-62.6	172.6	25	0	0	111.6	S277 R278 G279 I300	S277-Q281 PolarHBondContact O-NE2 3.25Å; R278-Q281 PolarHBondContact O-N 3Å; G279-Q281 PolarHBondContact O-N 2.96Å; Q281-I300 PolarHBondContact O-N 3.15Å
282	V	97.6	Very high	96.9	Very high	92 Å²	92	58.5 Å²	58.5	56%	0.558	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	118.9	173.6	-178.2	0	0	0	0	110.3	I300 Q302	V282-I300 CarbonylContact C-O 3.55Å; V282-I300 VanDerWaalsContact CA-O 3.29Å; V282-I300 WeakPolarHBondContact CA-O 3.29Å; V282-I300 HydrophobicContact CG2-CB 4.37Å; V282-Q302 HydrophobicContact CG1-CB 4.19Å
283	Y	98.2	Very high	97	Very high	22 Å²	22	55.1 Å²	55.1	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	95.5	169.2	-176.2	-104.7	0	0	0	109.9	T285 Q290 P292 P293 I300 I301 Q302 P309	Y283-T285 HydrophobicContact CD1-CG2 4.1Å; Y283-T285 HydrophobicContact CE1-CG2 3.89Å; Y283-Q290 HydrophobicContact CE2-CG 3.83Å; Y283-Q290 WeakPolarHBondContact OH-CG 3.4Å; Y283-Q290 PolarHBondContact OH-O 3.26Å; Y283-P292 HydrophobicContact CE1-CB 4.01Å; Y283-P292 HydrophobicContact CE2-CB 4.49Å; Y283-P293 HydrophobicContact CD2-CG 4.35Å; Y283-P293 HydrophobicContact CG-CG 4.45Å; Y283-I300 PolarHBondContact N-O 3.06Å; Y283-I301 HydrophobicContact CD1-CG1 4.32Å; Y283-I301 HydrophobicContact CD1-CG2 4.44Å; Y283-I301 WeakPolarHBondContact O-CA 3.44Å; Y283-Q302 PolarHBondContact O-N 3.47Å; Y283-P309 HydrophobicContact CD1-CG 4.09Å; Y283-P309 HydrophobicContact CE1-CG 3.91Å
284	A	98.3	Very high	97	Very high	16 Å²	16	52.1 Å²	52.1	13%	0.132	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.3	174.1	0	0	0	0	0	110.8	N286 Q290 Q302 Q304	A284-N286 PolarHBondContact O-N 2.97Å; A284-N286 VanDerWaalsContact O-N 3.1Å; A284-Q290 PolarHBondContact O-NE2 2.8Å; A284-Q290 PolarHBondContact O-OE1 2.93Å; A284-Q290 VanDerWaalsContact O-OE1 3.1Å; A284-Q302 WeakPolarHBondContact CA-O 3.45Å; A284-Q304 HydrophobicContact CB-CG 4.31Å
285	T	98.1	Very high	97.1	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.018	31%	0.307	C	S	.	.			trans	-85.4	32.2	-170.5	65.4	0	0	0	0	114.6	Y283 T287 I301 Q302 D303 Q304 N306	Y283-T285 HydrophobicContact CD1-CG2 4.1Å; Y283-T285 HydrophobicContact CE1-CG2 3.89Å; T285-T287 PolarHBondContact O-N 3.45Å; T285-I301 HydrophobicContact CG2-CG2 4.13Å; T285-Q302 PolarHBondContact N-O 3.15Å; T285-Q302 PolarHBondContact OG1-O 2.94Å; T285-D303 WeakPolarHBondContact OG1-CA 3.3Å; T285-Q304 PolarHBondContact OG1-N 3.19Å; T285-N306 WeakPolarHBondContact CB-O 3.43Å; T285-N306 WeakPolarHBondContact O-CB 3.44Å; T285-N306 PolarHBondContact O-N 3.39Å; T285-N306 PolarHBondContact O-ND2 3.38Å; T285-N306 PolarHBondContact OG1-O 2.89Å
286	N	97.3	Very high	97.1	Very high	84 Å²	84	48.5 Å²	48.5	45%	0.449	29%	0.293	S	S	.	.			trans	-78.7	-13.8	-172.7	54.8	39	0	0	0	115	A284 Q304	A284-N286 PolarHBondContact O-N 2.97Å; A284-N286 VanDerWaalsContact O-N 3.1Å; N286-Q304 HydrophobicContact CB-CB 3.82Å; N286-Q304 PolarHBondContact ND2-OE1 3.3Å
287	T	98.1	Very high	97.1	Very high	75 Å²	75	44.6 Å²	44.6	46%	0.46	26%	0.259	S	S	.	.	S	Bend	trans	-107.1	130.1	-170.1	-64.6	0	0	0	0	111.5	T285 G289 Q290	T285-T287 PolarHBondContact O-N 3.45Å; T287-G289 PolarHBondContact O-N 3.44Å; T287-Q290 HydrophobicContact CG2-CB 4.17Å; T287-Q290 WeakPolarHBondContact O-CB 3.49Å; T287-Q290 PolarHBondContact O-N 2.89Å
288	R	97.9	Very high	97	Very high	88 Å²	88	45.8 Å²	45.8	33%	0.332	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	134	176.9	-169.4	-175.9	68.8	-166.6	3.2	110.7	Q290 E739 D740 T741 G766 N768	R288-Q290 PolarHBondContact O-N 3.35Å; R288-E739 PolarHBondContact NH2-O 2.94Å; R288-D740 PolarHBondContact NH1-O 2.85Å; R288-D740 PolarHBondContact NH2-O 2.89Å; R288-T741 PolarHBondContact NH1-O 3.48Å; R288-G766 WeakPolarHBondContact CG-O 3.33Å; R288-N768 PolarHBondContact NE-OD1 2.82Å; R288-N768 PolarHBondContact NH2-OD1 2.58Å; R288-N768 PolarHBondContact O-ND2 3.33Å; R288-N768 PolarHBondContact O-OD1 3.21Å
289	G	97.4	Very high	96.9	Very high	8 Å²	8	43.5 Å²	43.5	8%	0.082	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	22.4	180	0	0	0	0	0	114.7	T287 Y317 G766 N768	T287-G289 PolarHBondContact O-N 3.44Å; G289-Y317 VanDerWaalsContact CA-O 3.3Å; G289-Y317 WeakPolarHBondContact CA-O 3.37Å; G289-G766 PolarHBondContact N-O 3.1Å; G289-N768 WeakPolarHBondContact CA-ND2 3.41Å
290	Q	98.3	Very high	97.1	Very high	52 Å²	52	45.3 Å²	45.3	24%	0.243	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-64.8	132	173.9	-170.2	-174.3	10.4	0	0	110.3	Y283 A284 T287 R288	Y283-Q290 HydrophobicContact CE2-CG 3.83Å; Y283-Q290 WeakPolarHBondContact OH-CG 3.4Å; Y283-Q290 PolarHBondContact OH-O 3.26Å; A284-Q290 PolarHBondContact O-NE2 2.8Å; A284-Q290 PolarHBondContact O-OE1 2.93Å; A284-Q290 VanDerWaalsContact O-OE1 3.1Å; T287-Q290 HydrophobicContact CG2-CB 4.17Å; T287-Q290 WeakPolarHBondContact O-CB 3.49Å; T287-Q290 PolarHBondContact O-N 2.89Å; R288-Q290 PolarHBondContact O-N 3.35Å
291	I	98.5	Very high	97.4	Very high	65 Å²	65	42.7 Å²	42.7	33%	0.333	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-84.1	121.5	-179.3	-53.2	165.9	0	0	0	108.3	R278 Y317	R278-I291 PolarHBondContact NH2-O 2.86Å; I291-Y317 HydrophobicContact CG1-CD2 4.49Å; I291-Y317 HydrophobicContact CG2-CD2 4.27Å
292	P	98.4	Very high	97.6	Very high	5 Å²	5	42 Å²	42	3%	0.032	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-74.2	167.8	179.3	32.1	-35.7	0	0	0	112.7	R278 Y283 P309 Y317	R278-P292 VanDerWaalsContact NH1-C 3.29Å; R278-P292 PolarHBondContact NH1-O 3.37Å; Y283-P292 HydrophobicContact CE1-CB 4.01Å; Y283-P292 HydrophobicContact CE2-CB 4.49Å; P292-P309 HydrophobicContact CB-CB 3.61Å; P292-P309 HydrophobicContact CB-CG 3.68Å; P292-P309 HydrophobicContact CG-CB 3.98Å; P292-Y317 VanDerWaalsContact CD-CE2 3.42Å; P292-Y317 HydrophobicContact CG-CE1 4.07Å; P292-Y317 HydrophobicContact CG-CE2 3.95Å; P292-Y317 WeakPolarHBondContact CG-OH 3.45Å
293	P	98.4	Very high	97.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.019	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-61.5	159.4	166.3	-22.3	36	0	0	0	111.6	R278 Y283 T297 R313	R278-P293 HydrophobicContact CB-CB 4.47Å; R278-P293 HydrophobicContact CB-CG 4.43Å; Y283-P293 HydrophobicContact CD2-CG 4.35Å; Y283-P293 HydrophobicContact CG-CG 4.45Å; P293-T297 HydrophobicContact CB-CG2 3.99Å; P293-R313 VanDerWaalsContact O-CZ 3.27Å; P293-R313 PolarHBondContact O-NH1 3.28Å; P293-R313 PolarHBondContact O-NH2 2.88Å
294	L	98.3	Very high	97.4	Very high	35 Å²	35	41.3 Å²	41.3	18%	0.183	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-62.7	156.7	175.7	-63.5	179.6	0	0	0	111.1	V270 D274 T296 T297	V270-L294 HydrophobicContact CG1-CD1 4.05Å; D274-L294 HydrophobicContact CB-CD1 3.77Å; D274-L294 HydrophobicContact CB-CG 4.02Å; D274-L294 PolarHBondContact OD2-N 3.37Å; L294-T296 PolarHBondContact O-N 3.5Å; L294-T296 VanDerWaalsContact O-N 3.11Å; L294-T297 PolarHBondContact O-N 3.3Å
295	V	97.6	Very high	97.3	Very high	34 Å²	34	40.9 Å²	40.9	21%	0.206	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.4	176.3	-70.9	0	0	0	0	113.9	D783 V878 A879 Q882	V295-D783 HydrophobicContact CG2-CB 4.18Å; V295-V878 HydrophobicContact CB-CG1 4.47Å; V295-V878 HydrophobicContact CG1-CB 3.8Å; V295-V878 HydrophobicContact CG1-CG1 3.57Å; V295-V878 HydrophobicContact CG2-CG1 4.09Å; V295-A879 HydrophobicContact CB-CB 3.92Å; V295-A879 HydrophobicContact CG1-CB 4.24Å; V295-A879 HydrophobicContact CG2-CB 4.46Å; V295-Q882 HydrophobicContact CG2-CB 4Å; V295-Q882 HydrophobicContact CG2-CG 4.13Å
296	T	96.9	Very high	97.3	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.086	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.5	176	52.8	0	0	0	0	113.2	I271 R275 L294 Q882	I271-T296 HydrophobicContact CD1-CG2 4.04Å; I271-T296 HydrophobicContact CG1-CG2 4.07Å; I271-T296 HydrophobicContact CG2-CG2 4.36Å; R275-T296 VanDerWaalsContact CZ-O 3.29Å; R275-T296 PolarHBondContact NE-O 3.19Å; R275-T296 PolarHBondContact NH2-O 3Å; L294-T296 PolarHBondContact O-N 3.5Å; L294-T296 VanDerWaalsContact O-N 3.11Å; T296-Q882 HydrophobicContact CG2-CG 4.11Å
297	T	97.3	Very high	97.4	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.043	20%	0.196	C	C	.	.			trans	-103.2	106.6	-176.3	-63.3	0	0	0	0	111.3	D274 R275 R278 P293 L294 C299	D274-T297 VanDerWaalsContact OD2-CB 3.25Å; D274-T297 WeakPolarHBondContact OD2-CB 3.31Å; D274-T297 PolarHBondContact OD2-OG1 3.16Å; R275-T297 HydrophobicContact CG-CG2 4.42Å; R275-T297 PolarHBondContact N-OG1 3.01Å; R278-T297 HydrophobicContact CB-CG2 4.34Å; P293-T297 HydrophobicContact CB-CG2 3.99Å; L294-T297 PolarHBondContact O-N 3.3Å; T297-C299 PolarHBondContact O-N 3.07Å; T297-C299 PolarHBondContact O-SG 3.13Å
298	D	93.6	Very high	97.4	Very high	95 Å²	95	34.5 Å²	34.5	51%	0.508	18%	0.177	S	C	.	.			trans	-73.2	118.4	173.2	-78.4	-54.3	0	0	0	111	G279 G280 K980	G279-D298 WeakPolarHBondContact CA-O 3.45Å; G280-D298 PolarHBondContact N-O 3.26Å; D298-K980 IonicContact OD1-NZ 2.93Å; D298-K980 PolarHBondContact OD1-NZ 3.46Å; D298-K980 IonicContact OD2-NZ 3.93Å; D298-K980 PolarHBondContact OD2-NZ 3.41Å
299	C	94.8	Very high	97.5	Very high	15 Å²	15	30.8 Å²	30.8	10%	0.101	17%	0.165	C	C	.	.			trans	-144	162.8	-178	52.8	0	0	0	0	108.8	T297 R310	T297-C299 PolarHBondContact O-N 3.07Å; T297-C299 PolarHBondContact O-SG 3.13Å; C299-R310 PolarHBondContact O-NH2 2.82Å
300	I	97.1	Very high	97.5	Very high	68 Å²	68	33.8 Å²	33.8	35%	0.349	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.1	175.2	-55.7	180	0	0	0	107.8	Q281 V282 Y283 E347	Q281-I300 PolarHBondContact O-N 3.15Å; V282-I300 CarbonylContact C-O 3.55Å; V282-I300 VanDerWaalsContact CA-O 3.29Å; V282-I300 WeakPolarHBondContact CA-O 3.29Å; V282-I300 HydrophobicContact CG2-CB 4.37Å; Y283-I300 PolarHBondContact N-O 3.06Å; I300-E347 HydrophobicContact CG2-CG 4.3Å
301	I	98.2	Very high	97.5	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.4	178.2	-63.9	161.1	0	0	0	109.6	Y283 T285 P309 R310 E347	Y283-I301 HydrophobicContact CD1-CG1 4.32Å; Y283-I301 HydrophobicContact CD1-CG2 4.44Å; Y283-I301 WeakPolarHBondContact O-CA 3.44Å; T285-I301 HydrophobicContact CG2-CG2 4.13Å; I301-P309 HydrophobicContact CD1-CG 3.74Å; I301-P309 HydrophobicContact CG1-CG 4.45Å; I301-R310 HydrophobicContact CD1-CG 3.84Å; I301-E347 PolarHBondContact N-OE1 2.92Å; I301-E347 WeakPolarHBondContact O-CG 3.42Å
302	Q	98.1	Very high	97.5	Very high	94 Å²	94	28.8 Å²	28.8	44%	0.439	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.4	172.6	-168.2	180	31.3	0	0	109.5	V282 Y283 A284 T285 Q304	V282-Q302 HydrophobicContact CG1-CB 4.19Å; Y283-Q302 PolarHBondContact O-N 3.47Å; A284-Q302 WeakPolarHBondContact CA-O 3.45Å; T285-Q302 PolarHBondContact N-O 3.15Å; T285-Q302 PolarHBondContact OG1-O 2.94Å; Q302-Q304 HydrophobicContact CG-CG 4.3Å; Q302-Q304 PolarHBondContact O-N 3.08Å
303	D	97.3	Very high	97.6	Very high	19 Å²	19	29.4 Å²	29.4	10%	0.102	15%	0.151	C	C	.	.			trans	-70.9	124.4	173.2	-162	-37.2	0	0	0	109.5	T285 G305 L419 G420 S421	T285-D303 WeakPolarHBondContact OG1-CA 3.3Å; D303-G305 PolarHBondContact OD1-N 3.44Å; D303-L419 HydrophobicContact CB-CD2 4.35Å; D303-G420 VanDerWaalsContact CG-N 3.31Å; D303-G420 PolarHBondContact OD1-N 3.37Å; D303-G420 WeakPolarHBondContact OD2-CA 3.18Å; D303-G420 PolarHBondContact OD2-N 3.34Å; D303-S421 PolarHBondContact OD2-N 3.08Å; D303-S421 PolarHBondContact OD2-OG 2.62Å
304	Q	96.2	Very high	97.6	Very high	79 Å²	79	29.3 Å²	29.3	37%	0.369	15%	0.15	S	C	.	.	S	Bend	trans	-136.4	32.9	174.8	-64.3	-169.8	-1.5	0	0	111.2	A284 T285 N286 Q302 S418	A284-Q304 HydrophobicContact CB-CG 4.31Å; T285-Q304 PolarHBondContact OG1-N 3.19Å; N286-Q304 HydrophobicContact CB-CB 3.82Å; N286-Q304 PolarHBondContact ND2-OE1 3.3Å; Q302-Q304 HydrophobicContact CG-CG 4.3Å; Q302-Q304 PolarHBondContact O-N 3.08Å; Q304-S418 CarbonylContact C-O 3.47Å
305	G	95	Very high	97.6	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	14%	0.141	C	C	.	.	S	Bend	trans	126.4	-18.9	168.9	0	0	0	0	0	115.5	D303 S418 G420	D303-G305 PolarHBondContact OD1-N 3.44Å; G305-S418 VanDerWaalsContact CA-O 3.25Å; G305-S418 WeakPolarHBondContact CA-O 3.25Å; G305-S418 PolarHBondContact N-O 2.87Å; G305-G420 WeakPolarHBondContact O-CA 3.43Å
306	N	98.7	Very high	97.7	Very high	14 Å²	14	26 Å²	26	8%	0.075	13%	0.131	C	C	.	.	S	Bend	trans	-114.9	143.5	169.4	-61.6	-88.5	0	0	0	110.3	T285 L765 G766	T285-N306 WeakPolarHBondContact CB-O 3.43Å; T285-N306 WeakPolarHBondContact O-CB 3.44Å; T285-N306 PolarHBondContact O-N 3.39Å; T285-N306 PolarHBondContact O-ND2 3.38Å; T285-N306 PolarHBondContact OG1-O 2.89Å; N306-L765 HydrophobicContact CB-CD1 4.08Å; N306-G766 PolarHBondContact OD1-N 3.39Å
307	A	98.8	Very high	97.8	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.033	13%	0.129	C	C	.	.			trans	-61.8	142.2	-175.7	0	0	0	0	0	112.4	I312 S421 H763 N764	A307-I312 HydrophobicContact CB-CG2 3.74Å; A307-S421 WeakPolarHBondContact CA-OG 3.31Å; A307-S421 WeakPolarHBondContact CB-OG 3.26Å; A307-H763 HydrophobicContact CB-CB 3.87Å; A307-N764 WeakPolarHBondContact CB-O 3.19Å; A307-N764 PolarHBondContact N-O 3Å
308	S	98.8	Very high	97.8	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.063	13%	0.129	C	C	.	.			trans	-55.1	139.1	179.2	169	0	0	0	0	112.3	R310 F311 I312	S308-R310 PolarHBondContact O-N 2.81Å; S308-R310 PolarHBondContact OG-N 2.72Å; S308-R310 VanDerWaalsContact OG-N 3.16Å; S308-F311 PolarHBondContact O-N 3.43Å; S308-I312 PolarHBondContact O-N 3.05Å
309	P	98.7	Very high	98.1	Very high	11 Å²	11	21.2 Å²	21.2	7%	0.071	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	10.5	172	31.8	-38.4	0	0	0	114.2	Y283 P292 I301 I312 R313	Y283-P309 HydrophobicContact CD1-CG 4.09Å; Y283-P309 HydrophobicContact CE1-CG 3.91Å; P292-P309 HydrophobicContact CB-CB 3.61Å; P292-P309 HydrophobicContact CB-CG 3.68Å; P292-P309 HydrophobicContact CG-CB 3.98Å; I301-P309 HydrophobicContact CD1-CG 3.74Å; I301-P309 HydrophobicContact CG1-CG 4.45Å; P309-I312 WeakPolarHBondContact CA-O 3.3Å; P309-R313 HydrophobicContact CB-CG 4.05Å; P309-R313 WeakPolarHBondContact O-CG 3.38Å; P309-R313 PolarHBondContact O-NE 2.96Å
310	R	98.3	Very high	98.2	Very high	70 Å²	70	20.5 Å²	20.5	26%	0.264	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-33.7	158.8	-57.9	-172.4	-167.4	-68.2	-6.3	112	C299 I301 S308 A341 E347	C299-R310 PolarHBondContact O-NH2 2.82Å; I301-R310 HydrophobicContact CD1-CG 3.84Å; S308-R310 PolarHBondContact O-N 2.81Å; S308-R310 PolarHBondContact OG-N 2.72Å; S308-R310 VanDerWaalsContact OG-N 3.16Å; R310-A341 HydrophobicContact CB-CB 4.44Å; R310-A341 VanDerWaalsContact O-CB 3.29Å; R310-A341 WeakPolarHBondContact O-CB 3.48Å; R310-E347 IonicContact CZ-OE1 2.77Å; R310-E347 IonicContact CZ-OE2 2.89Å; R310-E347 IonicContact NE-OE1 2.95Å; R310-E347 PolarHBondContact NE-OE1 2.93Å; R310-E347 IonicContact NE-OE2 3.22Å; R310-E347 PolarHBondContact NE-OE2 3.07Å; R310-E347 IonicContact NH2-OE1 3.96Å; R310-E347 PolarHBondContact NH2-OE1 3.02Å; R310-E347 IonicContact NH2-OE2 2.72Å
311	F	98.8	Very high	98.3	Very high	9 Å²	9	17.7 Å²	17.7	4%	0.039	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-38.5	-180	-60.5	-56.7	0	0	0	113.5	S308 I337 K338 A341 I343 L350 S421 H763	S308-F311 PolarHBondContact O-N 3.43Å; F311-I337 CarbonylContact O-C 3.6Å; F311-I337 WeakPolarHBondContact O-CA 3.44Å; F311-K338 PolarHBondContact O-N 2.91Å; F311-A341 HydrophobicContact CD1-CB 3.9Å; F311-A341 HydrophobicContact CE1-CB 4.18Å; F311-A341 WeakPolarHBondContact CE1-O 3.45Å; F311-I343 HydrophobicContact CE1-CG1 4.41Å; F311-I343 HydrophobicContact CZ-CD1 3.9Å; F311-I343 HydrophobicContact CZ-CG1 3.81Å; F311-L350 HydrophobicContact CE2-CD2 4.01Å; F311-L350 HydrophobicContact CZ-CD1 4.46Å; F311-L350 HydrophobicContact CZ-CD2 3.99Å; F311-L350 HydrophobicContact CZ-CG 4.44Å; F311-S421 WeakPolarHBondContact CD2-OG 3.48Å; F311-H763 AromaticContact CD1-CE1 3.5Å; F311-H763 AromaticContact CD2-CE1 3.54Å; F311-H763 AromaticContact CD2-ND1 3.56Å; F311-H763 AromaticContact CE1-CE1 3.91Å; F311-H763 AromaticContact CE2-CE1 3.93Å; F311-H763 AromaticContact CG-CE1 3.31Å; F311-H763 WeakPolarHBondContact CG-CE1 3.31Å; F311-H763 AromaticContact CG-ND1 3.6Å
312	I	98.9	Very high	98.3	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.015	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	129.6	-175.4	-179.6	166.1	0	0	0	111.9	A307 S308 P309 A335 V336 I337 I745 L765	A307-I312 HydrophobicContact CB-CG2 3.74Å; S308-I312 PolarHBondContact O-N 3.05Å; P309-I312 WeakPolarHBondContact CA-O 3.3Å; I312-A335 HydrophobicContact CD1-CB 4.05Å; I312-A335 HydrophobicContact CG1-CB 4.16Å; I312-V336 WeakPolarHBondContact CA-O 3.37Å; I312-I337 HydrophobicContact CD1-CD1 4.3Å; I312-I337 HydrophobicContact CD1-CG1 4.12Å; I312-I337 HydrophobicContact CG1-CG1 4.23Å; I312-I745 HydrophobicContact CD1-CG2 4.25Å; I312-L765 HydrophobicContact CD1-CB 4.47Å; I312-L765 HydrophobicContact CD1-CD2 3.84Å; I312-L765 HydrophobicContact CG1-CD2 3.87Å; I312-L765 HydrophobicContact CG2-CB 4.47Å; I312-L765 HydrophobicContact CG2-CD2 4.01Å
313	R	98.9	Very high	98.3	Very high	19 Å²	19	17.3 Å²	17.3	7%	0.072	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.9	172.5	-76	176.6	171.1	-100.4	-2.9	110.5	P293 P309 Y317 A335 V336 E781 V878	P293-R313 VanDerWaalsContact O-CZ 3.27Å; P293-R313 PolarHBondContact O-NH1 3.28Å; P293-R313 PolarHBondContact O-NH2 2.88Å; P309-R313 HydrophobicContact CB-CG 4.05Å; P309-R313 WeakPolarHBondContact O-CG 3.38Å; P309-R313 PolarHBondContact O-NE 2.96Å; R313-Y317 VanDerWaalsContact CA-OH 3.31Å; R313-Y317 WeakPolarHBondContact CA-OH 3.33Å; R313-Y317 WeakPolarHBondContact CB-OH 3.39Å; R313-A335 CarbonylContact O-C 3.6Å; R313-A335 VanDerWaalsContact O-CA 3.25Å; R313-A335 WeakPolarHBondContact O-CA 3.41Å; R313-V336 PolarHBondContact N-O 3.48Å; R313-V336 PolarHBondContact O-N 3.47Å; R313-E781 WeakPolarHBondContact CD-OE1 3.32Å; R313-E781 IonicContact CZ-OE1 3.79Å; R313-E781 IonicContact NE-OE1 3.32Å; R313-E781 VanDerWaalsContact NH1-CD 3.32Å; R313-E781 IonicContact NH1-OE1 3.5Å; R313-E781 PolarHBondContact NH1-OE1 3.21Å; R313-E781 IonicContact NH1-OE2 2.7Å; R313-E781 PolarHBondContact NH1-OE2 3.02Å; R313-V878 HydrophobicContact CB-CG2 4.09Å
314	C	98.9	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.9	-175.7	-65	0	0	0	0	111.7	T316 Y317 A334 L767 A784	C314-T316 VanDerWaalsContact CB-O 3.23Å; C314-T316 WeakPolarHBondContact CB-O 3Å; C314-T316 PolarHBondContact O-N 2.9Å; C314-Y317 HydrophobicContact CB-CD1 4.18Å; C314-Y317 HydrophobicContact CB-CE1 3.89Å; C314-Y317 PolarHBondContact N-OH 2.97Å; C314-Y317 WeakPolarHBondContact O-CE2 3.34Å; C314-A334 WeakPolarHBondContact CA-O 3.32Å; C314-L767 HydrophobicContact CB-CD1 4.45Å; C314-A784 WeakPolarHBondContact O-CB 3.4Å
315	T	98.9	Very high	98.5	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.099	C	C	.	.	S	Bend	trans	-63.2	-28.5	172.2	53.8	0	0	0	0	112.5	P332 A334 C780 E781 L785 F788	T315-P332 VanDerWaalsContact CB-O 3.28Å; T315-P332 WeakPolarHBondContact CB-O 3.33Å; T315-P332 PolarHBondContact OG1-O 3.34Å; T315-A334 HydrophobicContact CG2-CB 3.85Å; T315-A334 PolarHBondContact N-O 2.88Å; T315-A334 PolarHBondContact OG1-N 3.49Å; T315-A334 PolarHBondContact OG1-O 2.84Å; T315-C780 VanDerWaalsContact O-CA 3.28Å; T315-C780 WeakPolarHBondContact O-CA 3.35Å; T315-E781 PolarHBondContact O-N 2.94Å; T315-L785 HydrophobicContact CG2-CD2 3.94Å; T315-L785 HydrophobicContact CG2-CG 4.26Å; T315-F788 HydrophobicContact CG2-CB 4.2Å
316	T	98.8	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-145.8	144.1	165.7	175.9	0	0	0	0	110.5	C314 C318 F319 L333 L776 S779	C314-T316 VanDerWaalsContact CB-O 3.23Å; C314-T316 WeakPolarHBondContact CB-O 3Å; C314-T316 PolarHBondContact O-N 2.9Å; T316-C318 WeakPolarHBondContact CG2-O 3.34Å; T316-C318 PolarHBondContact OG1-N 2.95Å; T316-C318 VanDerWaalsContact OG1-N 3.09Å; T316-C318 PolarHBondContact OG1-O 3.38Å; T316-F319 HydrophobicContact CG2-CD1 3.87Å; T316-F319 HydrophobicContact CG2-CE1 4.05Å; T316-L333 HydrophobicContact CG2-CD2 3.72Å; T316-L776 HydrophobicContact CG2-CD1 3.7Å; T316-S779 CarbonylContact C-O 3.59Å; T316-S779 VanDerWaalsContact CA-O 3.29Å; T316-S779 WeakPolarHBondContact CA-O 3.46Å; T316-S779 PolarHBondContact OG1-O 3.24Å
317	Y	98.8	Very high	98.6	Very high	7 Å²	7	23.5 Å²	23.5	3%	0.027	12%	0.123	C	C	.	.	S	Bend	trans	-93	1	173.3	-60	-87.6	0	0	0	113.5	G289 I291 P292 R313 C314 L767 N768 S779 E781	G289-Y317 VanDerWaalsContact CA-O 3.3Å; G289-Y317 WeakPolarHBondContact CA-O 3.37Å; I291-Y317 HydrophobicContact CG1-CD2 4.49Å; I291-Y317 HydrophobicContact CG2-CD2 4.27Å; P292-Y317 VanDerWaalsContact CD-CE2 3.42Å; P292-Y317 HydrophobicContact CG-CE1 4.07Å; P292-Y317 HydrophobicContact CG-CE2 3.95Å; P292-Y317 WeakPolarHBondContact CG-OH 3.45Å; R313-Y317 VanDerWaalsContact CA-OH 3.31Å; R313-Y317 WeakPolarHBondContact CA-OH 3.33Å; R313-Y317 WeakPolarHBondContact CB-OH 3.39Å; C314-Y317 HydrophobicContact CB-CD1 4.18Å; C314-Y317 HydrophobicContact CB-CE1 3.89Å; C314-Y317 PolarHBondContact N-OH 2.97Å; C314-Y317 WeakPolarHBondContact O-CE2 3.34Å; Y317-L767 HydrophobicContact CD1-CD2 3.88Å; Y317-N768 PolarHBondContact O-N 2.9Å; Y317-S779 WeakPolarHBondContact CD2-O 3.4Å; Y317-S779 PolarHBondContact N-O 3.39Å; Y317-E781 HydrophobicContact CE2-CB 4.07Å; Y317-E781 VanDerWaalsContact CE2-OE2 3.29Å; Y317-E781 WeakPolarHBondContact CE2-OE2 3.48Å; Y317-E781 PolarHBondContact OH-OE2 3.13Å
318	C	98.7	Very high	98.6	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	116.6	169.6	-170	0	0	0	0	109.6	T316 N768 L776 S779	T316-C318 WeakPolarHBondContact CG2-O 3.34Å; T316-C318 PolarHBondContact OG1-N 2.95Å; T316-C318 VanDerWaalsContact OG1-N 3.09Å; T316-C318 PolarHBondContact OG1-O 3.38Å; C318-N768 CarbonylContact C-O 3.5Å; C318-N768 WeakPolarHBondContact CA-O 3.47Å; C318-N768 HydrophobicContact CB-CB 4.22Å; C318-L776 WeakPolarHBondContact O-CD1 3.48Å; C318-S779 WeakPolarHBondContact CB-OG 3.46Å
319	F	98.6	Very high	98.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	145.7	-178.9	-86.4	32.3	0	0	0	111.1	T316 L333 F699 F731 L737 A743 L767 N768 C769 S770	T316-F319 HydrophobicContact CG2-CD1 3.87Å; T316-F319 HydrophobicContact CG2-CE1 4.05Å; F319-L333 HydrophobicContact CD1-CD2 4.32Å; F319-L333 HydrophobicContact CD2-CD1 3.97Å; F319-L333 HydrophobicContact CE1-CD2 4.42Å; F319-L333 HydrophobicContact CE2-CB 4.01Å; F319-L333 HydrophobicContact CE2-CD1 4.17Å; F319-L333 HydrophobicContact CG-CD1 4.42Å; F319-L333 HydrophobicContact CG-CD2 4.41Å; F319-L333 HydrophobicContact CZ-CB 3.98Å; F319-F699 HydrophobicContact CD2-CD2 4.3Å; F319-F699 HydrophobicContact CD2-CE2 4.36Å; F319-F699 AromaticContact CE2-CD2 3.79Å; F319-F699 HydrophobicContact CE2-CD2 3.79Å; F319-F699 AromaticContact CE2-CE2 3.7Å; F319-F699 HydrophobicContact CE2-CE2 3.7Å; F319-F699 HydrophobicContact CE2-CZ 4.5Å; F319-F699 HydrophobicContact CZ-CE2 4.47Å; F319-F731 HydrophobicContact CE2-CB 4.32Å; F319-F731 HydrophobicContact CE2-CD2 4.3Å; F319-F731 HydrophobicContact CE2-CG 4.43Å; F319-F731 AromaticContact CZ-CD2 3.98Å; F319-F731 HydrophobicContact CZ-CD2 3.98Å; F319-L737 HydrophobicContact CB-CD1 4.07Å; F319-L737 HydrophobicContact CD2-CD1 4.4Å; F319-A743 HydrophobicContact CB-CB 4.4Å; F319-A743 HydrophobicContact CD2-CB 4.25Å; F319-A743 HydrophobicContact CG-CB 4.37Å; F319-L767 HydrophobicContact CD1-CD1 3.78Å; F319-L767 HydrophobicContact CE1-CD1 3.38Å; F319-L767 HydrophobicContact CZ-CD1 3.95Å; F319-N768 PolarHBondContact N-O 2.78Å; F319-C769 VanDerWaalsContact O-CA 3.27Å; F319-C769 WeakPolarHBondContact O-CA 3.48Å; F319-C769 PolarHBondContact O-SG 2.86Å; F319-S770 PolarHBondContact O-N 3.47Å
320	P	98.5	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.3	171.3	27.5	-30.3	0	0	0	110	T322 M325 A326 L333 H733 S770 L776	P320-T322 PolarHBondContact O-N 3.37Å; P320-T322 VanDerWaalsContact O-N 3.16Å; P320-M325 HydrophobicContact CB-CB 4.02Å; P320-M325 HydrophobicContact CB-CE 3.86Å; P320-M325 HydrophobicContact CB-CG 3.62Å; P320-M325 HydrophobicContact CB-SD 3.43Å; P320-M325 WeakPolarHBondContact CB-SD 3.41Å; P320-A326 HydrophobicContact CG-CB 3.74Å; P320-L333 HydrophobicContact CG-CD1 4.02Å; P320-L333 HydrophobicContact CG-CD2 4.2Å; P320-H733 PolarHBondContact O-CE1 3.33Å; P320-H733 PolarHBondContact O-NE2 2.98Å; P320-S770 WeakPolarHBondContact CA-O 3.49Å; P320-L776 HydrophobicContact CB-CD2 4.18Å; P320-L776 HydrophobicContact CG-CD2 4.26Å
321	C	98.4	Very high	98.5	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.061	14%	0.138	C	C	.	.	S	Bend	trans	-75.7	-3.3	-172.2	-59.1	0	0	0	0	115.8	K736 L737 C769 S770	C321-K736 WeakPolarHBondContact O-CA 3.45Å; C321-L737 HydrophobicContact CB-CB 4.29Å; C321-L737 PolarHBondContact O-N 3.35Å; C321-C769 WeakPolarHBondContact CA-SG 3.33Å; C321-C769 WeakPolarHBondContact CB-SG 3.48Å; C321-C769 WeakPolarHBondContact SG-CB 3.23Å; C321-C769 CovalentContact SG-SG 2.04Å; C321-C769 PolarHBondContact SG-SG 3.03Å; C321-S770 PolarHBondContact N-O 2.97Å; C321-S770 PolarHBondContact SG-N 3.01Å
322	T	98.6	Very high	98.5	Very high	48 Å²	48	26.6 Å²	26.6	29%	0.294	14%	0.139	S	C	.	.	S	Bend	trans	-135.9	153.5	174.6	71.9	0	0	0	0	112.7	P320 D324 M325 A326 K736	P320-T322 PolarHBondContact O-N 3.37Å; P320-T322 VanDerWaalsContact O-N 3.16Å; T322-D324 PolarHBondContact O-N 2.86Å; T322-M325 PolarHBondContact O-N 2.88Å; T322-M325 VanDerWaalsContact OG1-CB 3.32Å; T322-M325 WeakPolarHBondContact OG1-CB 3.4Å; T322-M325 PolarHBondContact OG1-N 2.89Å; T322-M325 VanDerWaalsContact OG1-N 3.16Å; T322-A326 PolarHBondContact O-N 2.9Å; T322-A326 VanDerWaalsContact O-N 3.13Å; T322-K736 HydrophobicContact CG2-CG 4.36Å
323	S	98.4	Very high	98.5	Very high	46 Å²	46	26.9 Å²	26.9	32%	0.322	14%	0.14	S	C	.	.	H	α-helix	trans	-58.2	-35.9	173.9	-169.6	0	0	0	0	112.4	A326 K327	S323-A326 WeakPolarHBondContact O-CB 3.19Å; S323-A326 PolarHBondContact O-N 3.36Å; S323-K327 VanDerWaalsContact O-CG 3.28Å; S323-K327 WeakPolarHBondContact O-CG 3.3Å; S323-K327 PolarHBondContact O-N 3.14Å; S323-K327 WeakPolarHBondContact OG-CE 3.17Å; S323-K327 PolarHBondContact OG-NZ 3.43Å
324	D	98.3	Very high	98.5	Very high	103 Å²	103	26 Å²	26	55%	0.551	14%	0.137	S	C	*	.	H	α-helix	trans	-77.2	-34.6	-176.6	-56.4	-46.6	0	0	0	112.4	T322 A326 K327 Q328	T322-D324 PolarHBondContact O-N 2.86Å; D324-A326 VanDerWaalsContact C-N 3.3Å; D324-A326 PolarHBondContact O-N 3.15Å; D324-K327 PolarHBondContact O-N 3.15Å; D324-K327 IonicContact OD1-NZ 2.65Å; D324-K327 PolarHBondContact OD1-NZ 3.22Å; D324-Q328 WeakPolarHBondContact O-CB 3.27Å; D324-Q328 PolarHBondContact O-N 3.2Å
325	M	98.1	Very high	98.5	Very high	12 Å²	12	26 Å²	26	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-37.8	168.3	-178	-172	174.2	0	0	111.5	P320 T322 Q328 A329 S770 Q772 L773 L776	P320-M325 HydrophobicContact CB-CB 4.02Å; P320-M325 HydrophobicContact CB-CE 3.86Å; P320-M325 HydrophobicContact CB-CG 3.62Å; P320-M325 HydrophobicContact CB-SD 3.43Å; P320-M325 WeakPolarHBondContact CB-SD 3.41Å; T322-M325 PolarHBondContact O-N 2.88Å; T322-M325 VanDerWaalsContact OG1-CB 3.32Å; T322-M325 WeakPolarHBondContact OG1-CB 3.4Å; T322-M325 PolarHBondContact OG1-N 2.89Å; T322-M325 VanDerWaalsContact OG1-N 3.16Å; M325-Q328 PolarHBondContact O-N 3.16Å; M325-A329 PolarHBondContact O-N 3.11Å; M325-S770 VanDerWaalsContact CE-O 3.32Å; M325-S770 WeakPolarHBondContact CE-O 3.08Å; M325-Q772 WeakPolarHBondContact CE-O 3.39Å; M325-L773 HydrophobicContact CE-CD2 3.97Å; M325-L773 HydrophobicContact CE-CG 4.28Å; M325-L773 HydrophobicContact CG-CD2 3.79Å; M325-L773 HydrophobicContact CG-CG 4.46Å; M325-L776 HydrophobicContact CE-CB 4.41Å
326	A	98.3	Very high	98.5	Very high	17 Å²	17	26.2 Å²	26.2	14%	0.14	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-43	173.5	0	0	0	0	0	112.3	P320 T322 S323 D324 Q328 A329 Q330	P320-A326 HydrophobicContact CG-CB 3.74Å; T322-A326 PolarHBondContact O-N 2.9Å; T322-A326 VanDerWaalsContact O-N 3.13Å; S323-A326 WeakPolarHBondContact O-CB 3.19Å; S323-A326 PolarHBondContact O-N 3.36Å; D324-A326 VanDerWaalsContact C-N 3.3Å; D324-A326 PolarHBondContact O-N 3.15Å; A326-Q328 VanDerWaalsContact C-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.34Å; A326-A329 PolarHBondContact O-N 3.24Å; A326-Q330 WeakPolarHBondContact O-CA 3.31Å; A326-Q330 PolarHBondContact O-N 2.96Å
327	K	98.3	Very high	98.5	Very high	119 Å²	119	26.2 Å²	26.2	52%	0.517	14%	0.138	S	C	.	.	H	α-helix	trans	-64.1	-34.6	173.9	-67.5	164.3	-152.7	160	0	112.6	S323 D324 Q330	S323-K327 VanDerWaalsContact O-CG 3.28Å; S323-K327 WeakPolarHBondContact O-CG 3.3Å; S323-K327 PolarHBondContact O-N 3.14Å; S323-K327 WeakPolarHBondContact OG-CE 3.17Å; S323-K327 PolarHBondContact OG-NZ 3.43Å; D324-K327 PolarHBondContact O-N 3.15Å; D324-K327 IonicContact OD1-NZ 2.65Å; D324-K327 PolarHBondContact OD1-NZ 3.22Å; K327-Q330 WeakPolarHBondContact O-CG 3.1Å
328	Q	98	Very high	98.5	Very high	85 Å²	85	27.5 Å²	27.5	40%	0.397	14%	0.144	S	C	.	.	H	α-helix	trans	-70.1	-39.8	177.3	-177.5	-179.2	0.6	0	0	111.8	D324 M325 A326 L773 H815 C819 N823	D324-Q328 WeakPolarHBondContact O-CB 3.27Å; D324-Q328 PolarHBondContact O-N 3.2Å; M325-Q328 PolarHBondContact O-N 3.16Å; A326-Q328 VanDerWaalsContact C-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.34Å; Q328-L773 HydrophobicContact CG-CD1 4.39Å; Q328-H815 PolarHBondContact O-NE2 3.42Å; Q328-C819 WeakPolarHBondContact O-CB 3.42Å; Q328-C819 PolarHBondContact O-SG 2.88Å; Q328-N823 PolarHBondContact NE2-OD1 3.4Å
329	A	97.9	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-78.9	-34.4	177.7	0	0	0	0	0	113.2	M325 A326 I331 L773 L776 M816	M325-A329 PolarHBondContact O-N 3.11Å; A326-A329 PolarHBondContact O-N 3.24Å; A329-I331 HydrophobicContact CB-CB 4.46Å; A329-I331 HydrophobicContact CB-CD1 4.23Å; A329-I331 HydrophobicContact CB-CG1 4.26Å; A329-I331 PolarHBondContact O-N 2.83Å; A329-I331 VanDerWaalsContact O-N 3.11Å; A329-L773 HydrophobicContact CB-CD2 3.99Å; A329-L776 HydrophobicContact CB-CD2 3.55Å; A329-M816 WeakPolarHBondContact O-CA 3.47Å; A329-M816 WeakPolarHBondContact O-CG 3.31Å
330	Q	98.3	Very high	98.5	Very high	70 Å²	70	28 Å²	28	33%	0.327	15%	0.145	S	C	.	.			trans	54	17	-168.6	-58.5	-167.5	13.8	0	0	115.5	A326 K327 P332 Q812 H815 M816	A326-Q330 WeakPolarHBondContact O-CA 3.31Å; A326-Q330 PolarHBondContact O-N 2.96Å; K327-Q330 WeakPolarHBondContact O-CG 3.1Å; Q330-P332 WeakPolarHBondContact O-CD 3.28Å; Q330-Q812 HydrophobicContact CB-CG 4.15Å; Q330-Q812 PolarHBondContact O-NE2 2.84Å; Q330-H815 VanDerWaalsContact CG-CD2 3.46Å; Q330-H815 WeakPolarHBondContact CG-CD2 3.25Å; Q330-H815 PolarHBondContact NE2-CD2 3.03Å; Q330-H815 PolarHBondContact NE2-CE1 3.18Å; Q330-H815 PolarHBondContact NE2-NE2 2.99Å; Q330-M816 HydrophobicContact CB-CG 4.42Å
331	I	98.8	Very high	98.5	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	15%	0.148	C	C	.	.			trans	-68.7	119.7	168.6	-68.3	168	0	0	0	107.9	A329 L333 L776 Y777 L785 M816 M839	A329-I331 HydrophobicContact CB-CB 4.46Å; A329-I331 HydrophobicContact CB-CD1 4.23Å; A329-I331 HydrophobicContact CB-CG1 4.26Å; A329-I331 PolarHBondContact O-N 2.83Å; A329-I331 VanDerWaalsContact O-N 3.11Å; I331-L333 PolarHBondContact O-N 3.03Å; I331-L776 HydrophobicContact CD1-CD1 4.15Å; I331-L776 HydrophobicContact CD1-CD2 3.87Å; I331-L776 HydrophobicContact CD1-CG 3.66Å; I331-L776 HydrophobicContact CG2-CD1 4.3Å; I331-Y777 HydrophobicContact CD1-CD1 3.77Å; I331-Y777 HydrophobicContact CD1-CE1 3.58Å; I331-Y777 HydrophobicContact CD1-CE2 4.46Å; I331-Y777 HydrophobicContact CD1-CG 4.31Å; I331-Y777 HydrophobicContact CG1-CE1 4.36Å; I331-L785 HydrophobicContact CG2-CD2 4.33Å; I331-M816 HydrophobicContact CG1-CG 4.11Å; I331-M816 HydrophobicContact CG1-SD 3.95Å; I331-M839 HydrophobicContact CD1-CE 3.74Å; I331-M839 HydrophobicContact CG1-CE 3.89Å
332	P	98.5	Very high	98.4	Very high	7 Å²	7	32.8 Å²	32.8	5%	0.045	18%	0.175	C	C	.	.			trans	-69.2	132.2	177.6	28.8	-33.4	0	0	0	109.8	T315 Q330 L785 F788 F789	T315-P332 VanDerWaalsContact CB-O 3.28Å; T315-P332 WeakPolarHBondContact CB-O 3.33Å; T315-P332 PolarHBondContact OG1-O 3.34Å; Q330-P332 WeakPolarHBondContact O-CD 3.28Å; P332-L785 HydrophobicContact CG-CD2 3.76Å; P332-F788 HydrophobicContact CB-CD1 3.56Å; P332-F788 HydrophobicContact CB-CE1 3.25Å; P332-F788 HydrophobicContact CB-CE2 4.47Å; P332-F788 HydrophobicContact CB-CG 4.3Å; P332-F788 HydrophobicContact CB-CZ 3.76Å; P332-F788 HydrophobicContact CG-CD1 3.44Å; P332-F788 VanDerWaalsContact CG-CD1 3.44Å; P332-F788 HydrophobicContact CG-CE1 3.56Å; P332-F788 HydrophobicContact CG-CG 4.33Å; P332-F789 HydrophobicContact CG-CE1 4.09Å; P332-F789 HydrophobicContact CG-CE2 4.17Å; P332-F789 HydrophobicContact CG-CZ 3.71Å
333	L	98.9	Very high	98.3	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.047	17%	0.174	C	C	.	.			trans	-91.2	105.4	177	-55.2	-179.1	0	0	0	108	T316 F319 P320 I331 F731	T316-L333 HydrophobicContact CG2-CD2 3.72Å; F319-L333 HydrophobicContact CD1-CD2 4.32Å; F319-L333 HydrophobicContact CD2-CD1 3.97Å; F319-L333 HydrophobicContact CE1-CD2 4.42Å; F319-L333 HydrophobicContact CE2-CB 4.01Å; F319-L333 HydrophobicContact CE2-CD1 4.17Å; F319-L333 HydrophobicContact CG-CD1 4.42Å; F319-L333 HydrophobicContact CG-CD2 4.41Å; F319-L333 HydrophobicContact CZ-CB 3.98Å; P320-L333 HydrophobicContact CG-CD1 4.02Å; P320-L333 HydrophobicContact CG-CD2 4.2Å; I331-L333 PolarHBondContact O-N 3.03Å; L333-F731 HydrophobicContact CB-CB 4.26Å; L333-F731 PolarHBondContact O-N 3.01Å
334	A	98.9	Very high	98.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	157	-176.9	0	0	0	0	0	112.4	C314 T315 V729 F788	C314-A334 WeakPolarHBondContact CA-O 3.32Å; T315-A334 HydrophobicContact CG2-CB 3.85Å; T315-A334 PolarHBondContact N-O 2.88Å; T315-A334 PolarHBondContact OG1-N 3.49Å; T315-A334 PolarHBondContact OG1-O 2.84Å; A334-V729 CarbonylContact C-O 3.55Å; A334-V729 WeakPolarHBondContact CA-O 3.35Å; A334-V729 VanDerWaalsContact CB-O 3.26Å; A334-V729 WeakPolarHBondContact CB-O 3.4Å; A334-F788 HydrophobicContact CB-CB 4.3Å; A334-F788 HydrophobicContact CB-CD2 3.68Å; A334-F788 HydrophobicContact CB-CE2 4.37Å; A334-F788 HydrophobicContact CB-CG 4.12Å
335	A	98.9	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.5	172.1	0	0	0	0	0	110.7	I312 R313 I337 T728 V729 F731	I312-A335 HydrophobicContact CD1-CB 4.05Å; I312-A335 HydrophobicContact CG1-CB 4.16Å; R313-A335 CarbonylContact O-C 3.6Å; R313-A335 VanDerWaalsContact O-CA 3.25Å; R313-A335 WeakPolarHBondContact O-CA 3.41Å; A335-I337 HydrophobicContact CB-CG1 4.3Å; A335-T728 CarbonylContact O-C 3.57Å; A335-T728 WeakPolarHBondContact O-CA 3.29Å; A335-V729 PolarHBondContact N-O 3.39Å; A335-V729 PolarHBondContact O-N 3Å; A335-F731 HydrophobicContact CB-CE2 3.74Å; A335-F731 HydrophobicContact CB-CZ 4.16Å
336	V	98.9	Very high	97.9	Very high	6 Å²	6	38 Å²	38	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.9	172.3	-174	0	0	0	0	107.3	I312 R313 A726 T728 N787 V878	I312-V336 WeakPolarHBondContact CA-O 3.37Å; R313-V336 PolarHBondContact N-O 3.48Å; R313-V336 PolarHBondContact O-N 3.47Å; V336-A726 HydrophobicContact CG1-CB 4.13Å; V336-T728 HydrophobicContact CG2-CG2 3.84Å; V336-N787 HydrophobicContact CG2-CB 3.94Å; V336-N787 WeakPolarHBondContact CG2-OD1 3.35Å; V336-V878 HydrophobicContact CB-CG2 3.58Å; V336-V878 HydrophobicContact CG1-CG2 3.67Å; V336-V878 HydrophobicContact CG2-CG2 3.76Å
337	I	98.9	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.5	-171.6	-43.5	-179.3	0	0	0	109.2	F311 I312 A335 P339 V693 A726 V727 V729 C747	F311-I337 CarbonylContact O-C 3.6Å; F311-I337 WeakPolarHBondContact O-CA 3.44Å; I312-I337 HydrophobicContact CD1-CD1 4.3Å; I312-I337 HydrophobicContact CD1-CG1 4.12Å; I312-I337 HydrophobicContact CG1-CG1 4.23Å; A335-I337 HydrophobicContact CB-CG1 4.3Å; I337-P339 HydrophobicContact CG2-CG 3.96Å; I337-P339 WeakPolarHBondContact O-CD 3.5Å; I337-V693 HydrophobicContact CD1-CG2 3.91Å; I337-A726 CarbonylContact O-C 3.5Å; I337-A726 WeakPolarHBondContact O-CA 3.36Å; I337-A726 WeakPolarHBondContact O-CB 3.39Å; I337-V727 PolarHBondContact N-O 3.43Å; I337-V727 PolarHBondContact O-N 3.46Å; I337-V729 HydrophobicContact CD1-CG2 3.88Å; I337-V729 HydrophobicContact CG1-CG2 4.44Å; I337-C747 HydrophobicContact CD1-CB 4.29Å; I337-C747 HydrophobicContact CG2-CB 4.47Å
338	K	98.8	Very high	97.7	Very high	33 Å²	33	35 Å²	35	14%	0.143	20%	0.2	C	C	.	.			trans	-116.6	78.6	173.5	-170.5	-177.5	-75.9	-128.1	0	108.2	F311 F340 A341 C723 D724 K725 A726 D880	F311-K338 PolarHBondContact O-N 2.91Å; K338-F340 VanDerWaalsContact C-N 3.26Å; K338-F340 PolarHBondContact O-N 3.34Å; K338-F340 VanDerWaalsContact O-N 3.16Å; K338-A341 HydrophobicContact CB-CB 4.18Å; K338-A341 HydrophobicContact CD-CB 3.81Å; K338-A341 HydrophobicContact CG-CB 3.85Å; K338-A341 VanDerWaalsContact O-CB 3.3Å; K338-A341 WeakPolarHBondContact O-CB 3.22Å; K338-A341 PolarHBondContact O-N 3.42Å; K338-A341 VanDerWaalsContact O-N 3.09Å; K338-C723 WeakPolarHBondContact CD-O 3.48Å; K338-D724 VanDerWaalsContact CE-O 3.23Å; K338-D724 WeakPolarHBondContact CE-O 3.4Å; K338-D724 PolarHBondContact NZ-O 2.83Å; K338-K725 WeakPolarHBondContact CG-O 3.44Å; K338-A726 HydrophobicContact CB-CB 3.92Å; K338-A726 HydrophobicContact CG-CB 4.34Å; K338-D880 IonicContact NZ-OD2 2.72Å; K338-D880 PolarHBondContact NZ-OD2 3.5Å
339	P	98.6	Very high	97.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.7	-165.2	-19.8	30.2	0	0	0	114.5	I337 M691 I721 V749 R761 H763	I337-P339 HydrophobicContact CG2-CG 3.96Å; I337-P339 WeakPolarHBondContact O-CD 3.5Å; P339-M691 HydrophobicContact CG-SD 4.45Å; P339-I721 HydrophobicContact CG-CD1 4.05Å; P339-V749 HydrophobicContact CB-CG2 3.84Å; P339-V749 HydrophobicContact CG-CG2 3.94Å; P339-R761 WeakPolarHBondContact O-CD 3.24Å; P339-R761 PolarHBondContact O-NH1 2.77Å; P339-H763 PolarHBondContact O-NE2 2.72Å
340	F	98.5	Very high	97.7	Very high	17 Å²	17	37.1 Å²	37.1	8%	0.075	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	14.8	-179.4	-68.9	-89.1	0	0	0	113.6	K338 T342 I721 C723 V749 Y751 R761	K338-F340 VanDerWaalsContact C-N 3.26Å; K338-F340 PolarHBondContact O-N 3.34Å; K338-F340 VanDerWaalsContact O-N 3.16Å; F340-T342 PolarHBondContact O-N 3.25Å; F340-I721 HydrophobicContact CD2-CB 4.46Å; F340-I721 HydrophobicContact CD2-CD1 3.8Å; F340-I721 HydrophobicContact CD2-CG1 3.88Å; F340-I721 HydrophobicContact CD2-CG2 3.78Å; F340-I721 HydrophobicContact CE2-CD1 4.14Å; F340-I721 HydrophobicContact CE2-CG1 4.4Å; F340-I721 HydrophobicContact CE2-CG2 3.54Å; F340-I721 HydrophobicContact CZ-CG2 4.35Å; F340-C723 VanDerWaalsContact O-CA 3.22Å; F340-C723 WeakPolarHBondContact O-CA 3.43Å; F340-C723 WeakPolarHBondContact O-CB 3.47Å; F340-V749 HydrophobicContact CE2-CG1 4.21Å; F340-Y751 HydrophobicContact CE1-CD2 4.47Å; F340-Y751 HydrophobicContact CE1-CE1 4.04Å; F340-Y751 HydrophobicContact CE1-CE2 4.01Å; F340-Y751 AromaticContact CE1-CZ 3.78Å; F340-Y751 AromaticContact CZ-CD1 3.8Å; F340-Y751 HydrophobicContact CZ-CD1 3.8Å; F340-Y751 HydrophobicContact CZ-CD2 4.17Å; F340-Y751 AromaticContact CZ-CE1 3.75Å; F340-Y751 HydrophobicContact CZ-CE1 3.75Å; F340-Y751 HydrophobicContact CZ-CE2 4.12Å; F340-Y751 HydrophobicContact CZ-CG 4.02Å; F340-Y751 AromaticContact CZ-CZ 3.92Å; F340-R761 VanDerWaalsContact CD1-CZ 3.48Å
341	A	98.1	Very high	97.7	Very high	7 Å²	7	39.8 Å²	39.8	6%	0.058	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-46.7	129.9	179.6	0	0	0	0	0	112.4	R310 F311 K338 I343	R310-A341 HydrophobicContact CB-CB 4.44Å; R310-A341 VanDerWaalsContact O-CB 3.29Å; R310-A341 WeakPolarHBondContact O-CB 3.48Å; F311-A341 HydrophobicContact CD1-CB 3.9Å; F311-A341 HydrophobicContact CE1-CB 4.18Å; F311-A341 WeakPolarHBondContact CE1-O 3.45Å; K338-A341 HydrophobicContact CB-CB 4.18Å; K338-A341 HydrophobicContact CD-CB 3.81Å; K338-A341 HydrophobicContact CG-CB 3.85Å; K338-A341 VanDerWaalsContact O-CB 3.3Å; K338-A341 WeakPolarHBondContact O-CB 3.22Å; K338-A341 PolarHBondContact O-N 3.42Å; K338-A341 VanDerWaalsContact O-N 3.09Å; A341-I343 PolarHBondContact O-N 3.15Å
342	T	96.9	Very high	97.6	Very high	104 Å²	104	43.4 Å²	43.4	64%	0.638	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-61.8	118	179.9	-52.5	0	0	0	0	110.6	F340	F340-T342 PolarHBondContact O-N 3.25Å
343	I	96.7	Very high	97.6	Very high	50 Å²	50	43.6 Å²	43.6	26%	0.256	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-75.4	130.7	173.6	-51.8	174.6	0	0	0	107.9	F311 A341 E347 L350	F311-I343 HydrophobicContact CE1-CG1 4.41Å; F311-I343 HydrophobicContact CZ-CD1 3.9Å; F311-I343 HydrophobicContact CZ-CG1 3.81Å; A341-I343 PolarHBondContact O-N 3.15Å; I343-E347 HydrophobicContact CG2-CB 3.7Å; I343-L350 HydrophobicContact CD1-CD2 4.32Å; I343-L350 HydrophobicContact CD1-CG 4.08Å
344	P	95.9	Very high	97.6	Very high	35 Å²	35	48.2 Å²	48.2	23%	0.227	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-57.2	145.1	170.1	-23.1	33.4	0	0	0	111.8	N346 E347	P344-N346 VanDerWaalsContact CB-OD1 3.31Å; P344-N346 WeakPolarHBondContact CB-OD1 3.42Å; P344-N346 PolarHBondContact O-N 2.89Å; P344-E347 HydrophobicContact CB-CG 4.29Å; P344-E347 WeakPolarHBondContact CD-OE2 3.44Å; P344-E347 HydrophobicContact CG-CG 4.31Å; P344-E347 PolarHBondContact O-N 3.06Å
345	S	94.1	Very high	97.6	Very high	135 Å²	135	49 Å²	49	94%	0.944	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.5	-179.2	50.2	0	0	0	0	115
346	N	95.3	Very high	97.5	Very high	98 Å²	98	50.8 Å²	50.8	52%	0.524	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	8.6	174.4	70.9	-79.8	0	0	0	113.8	P344	P344-N346 VanDerWaalsContact CB-OD1 3.31Å; P344-N346 WeakPolarHBondContact CB-OD1 3.42Å; P344-N346 PolarHBondContact O-N 2.89Å
347	E	96.9	Very high	97.3	Very high	22 Å²	22	59.9 Å²	59.9	10%	0.103	34%	0.336	C	S	.	.	S	Bend	trans	-114.3	159.8	174.4	-67	-176.3	178.8	0	0	110.7	I300 I301 R310 I343 P344	I300-E347 HydrophobicContact CG2-CG 4.3Å; I301-E347 PolarHBondContact N-OE1 2.92Å; I301-E347 WeakPolarHBondContact O-CG 3.42Å; R310-E347 IonicContact CZ-OE1 2.77Å; R310-E347 IonicContact CZ-OE2 2.89Å; R310-E347 IonicContact NE-OE1 2.95Å; R310-E347 PolarHBondContact NE-OE1 2.93Å; R310-E347 IonicContact NE-OE2 3.22Å; R310-E347 PolarHBondContact NE-OE2 3.07Å; R310-E347 IonicContact NH2-OE1 3.96Å; R310-E347 PolarHBondContact NH2-OE1 3.02Å; R310-E347 IonicContact NH2-OE2 2.72Å; I343-E347 HydrophobicContact CG2-CB 3.7Å; P344-E347 HydrophobicContact CB-CG 4.29Å; P344-E347 WeakPolarHBondContact CD-OE2 3.44Å; P344-E347 HydrophobicContact CG-CG 4.31Å; P344-E347 PolarHBondContact O-N 3.06Å
348	S	95.6	Very high	97.1	Very high	51 Å²	51	63.7 Å²	63.7	36%	0.357	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-67.6	129.8	-177.8	52.7	0	0	0	0	112
349	P	97.2	Very high	97	Very high	91 Å²	91	62.2 Å²	62.2	59%	0.591	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-68	167	173	30.9	-36	0	0	0	111.7
350	L	98.1	Very high	97	Very high	38 Å²	38	62.6 Å²	62.6	20%	0.199	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-72.9	138.2	171.3	-58	-174.1	0	0	0	110.6	F311 I343 E423 R761	F311-L350 HydrophobicContact CE2-CD2 4.01Å; F311-L350 HydrophobicContact CZ-CD1 4.46Å; F311-L350 HydrophobicContact CZ-CD2 3.99Å; F311-L350 HydrophobicContact CZ-CG 4.44Å; I343-L350 HydrophobicContact CD1-CD2 4.32Å; I343-L350 HydrophobicContact CD1-CG 4.08Å; L350-E423 HydrophobicContact CB-CG 4.47Å; L350-E423 HydrophobicContact CD1-CG 4.09Å; L350-R761 HydrophobicContact CD1-CG 4.23Å; L350-R761 VanDerWaalsContact CD1-CZ 3.44Å
351	Y	98.4	Very high	97	Very high	126 Å²	126	62.2 Å²	62.2	49%	0.494	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-86.1	144	170.8	-63.5	-89.1	0	0	0	111	P415 L419 E423	Y351-P415 HydrophobicContact CD2-CB 3.99Å; Y351-P415 HydrophobicContact CG-CB 4.09Å; Y351-P415 HydrophobicContact CG-CG 4.16Å; Y351-L419 HydrophobicContact CD2-CD1 3.57Å; Y351-L419 HydrophobicContact CE2-CD1 3.75Å; Y351-E423 PolarHBondContact O-N 3.47Å
352	L	98.4	Very high	97	Very high	82 Å²	82	64.9 Å²	64.9	43%	0.429	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.8	174	179.3	61.9	0	0	0	110.1	E423 V425	L352-E423 HydrophobicContact CD1-CB 3.82Å; L352-V425 HydrophobicContact CD1-CG2 3.9Å; L352-V425 HydrophobicContact CD2-CG2 4.17Å; L352-V425 HydrophobicContact CG-CG2 3.98Å
353	V	98.6	Very high	97.1	Very high	11 Å²	11	60 Å²	60	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.5	-177	-175.5	0	0	0	0	110.2	P415 E416 Y422 E423 Y424 V425	V353-P415 HydrophobicContact CG2-CG 3.62Å; V353-E416 HydrophobicContact CG1-CG 4.32Å; V353-E416 HydrophobicContact CG2-CB 4.37Å; V353-Y422 HydrophobicContact CG2-CD2 4.46Å; V353-E423 WeakPolarHBondContact CB-O 3.45Å; V353-E423 PolarHBondContact N-O 2.94Å; V353-Y424 HydrophobicContact CB-CD1 3.69Å; V353-Y424 HydrophobicContact CB-CE1 3.91Å; V353-Y424 HydrophobicContact CG1-CD1 3.77Å; V353-Y424 HydrophobicContact CG1-CE1 3.59Å; V353-Y424 CarbonylContact O-C 3.5Å; V353-Y424 WeakPolarHBondContact O-CA 3.35Å; V353-V425 PolarHBondContact O-N 3.39Å
354	N	98.3	Very high	97.2	Very high	107 Å²	107	62.6 Å²	62.6	57%	0.572	35%	0.351	S	S	*	.			trans	-129	124	177.8	-169.4	-6.2	0	0	0	110.5	G356 V425	N354-G356 PolarHBondContact OD1-N 3.03Å; N354-V425 HydrophobicContact CB-CB 4.32Å; N354-V425 HydrophobicContact CB-CG2 3.88Å
355	H	98.3	Very high	97.3	Very high	17 Å²	17	68.8 Å²	68.8	8%	0.079	37%	0.37	C	S	.	.			trans	-105.1	10.7	178.2	-75.5	-163.6	0	0	0	112.8	G359 V361 F397 Y398 E416 Y424	H355-G359 WeakPolarHBondContact CB-O 3.4Å; H355-V361 PolarHBondContact ND1-N 3.1Å; H355-F397 HydrophobicContact CB-CE2 4.01Å; H355-F397 HydrophobicContact CB-CZ 4.27Å; H355-F397 WeakPolarHBondContact O-CE2 3.32Å; H355-Y398 AromaticContact CE1-CE2 3.66Å; H355-Y398 AromaticContact NE2-CE2 3.55Å; H355-E416 IonicContact NE2-OE1 3.33Å; H355-Y424 AromaticContact CE1-CE1 3.8Å; H355-Y424 AromaticContact NE2-CE1 3.72Å
356	G	96.8	Very high	97.5	Very high	37 Å²	37	64.2 Å²	64.2	38%	0.381	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	68.3	-154.5	-179.8	0	0	0	0	0	113.3	N354 S358 G359	N354-G356 PolarHBondContact OD1-N 3.03Å; G356-S358 PolarHBondContact O-N 3.41Å; G356-S358 VanDerWaalsContact O-N 3.1Å; G356-G359 PolarHBondContact O-N 2.88Å
357	E	94.5	Very high	97.7	Very high	197 Å²	197	64.5 Å²	64.5	92%	0.921	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-59.4	-24	-172.6	-61.9	175.8	-170.4	0	0	114.3	G359	E357-G359 PolarHBondContact O-N 3.11Å
358	S	95.6	Very high	97.8	Very high	80 Å²	80	63.4 Å²	63.4	56%	0.559	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-72.6	-12.3	176.5	-174.5	0	0	0	0	113.8	G356	G356-S358 PolarHBondContact O-N 3.41Å; G356-S358 VanDerWaalsContact O-N 3.1Å
359	G	96.8	Very high	97.9	Very high	2 Å²	2	61.5 Å²	61.5	2%	0.021	31%	0.314	C	S	.	.			trans	66.6	-179	-171.6	0	0	0	0	0	113.5	H355 G356 E357	H355-G359 WeakPolarHBondContact CB-O 3.4Å; G356-G359 PolarHBondContact O-N 2.88Å; E357-G359 PolarHBondContact O-N 3.11Å
360	P	98.3	Very high	98	Very high	8 Å²	8	57.2 Å²	57.2	5%	0.052	29%	0.286	C	S	.	.	S	Bend	trans	-64	137.7	-178.4	27.5	-35.8	0	0	0	111.3	R362 Y369 Y424 Y430 L760	P360-R362 WeakPolarHBondContact O-CG 3.43Å; P360-Y369 HydrophobicContact CB-CD1 4.03Å; P360-Y369 HydrophobicContact CB-CE1 4.45Å; P360-Y369 HydrophobicContact CG-CD1 3.97Å; P360-Y369 HydrophobicContact CG-CE1 3.89Å; P360-Y424 HydrophobicContact CB-CD1 3.71Å; P360-Y424 HydrophobicContact CB-CD2 3.79Å; P360-Y424 HydrophobicContact CB-CE1 3.91Å; P360-Y424 HydrophobicContact CB-CE2 3.98Å; P360-Y424 HydrophobicContact CB-CG 3.65Å; P360-Y424 HydrophobicContact CG-CG 4.47Å; P360-Y430 HydrophobicContact CG-CE2 4.37Å; P360-L760 HydrophobicContact CG-CD1 3.92Å
361	V	98.6	Very high	98	Very high	9 Å²	9	55.4 Å²	55.4	6%	0.055	28%	0.277	C	S	.	.			trans	-70.2	135	-177.7	170.4	0	0	0	0	109.6	H355 M370 Y383 P395 F397 Y398	H355-V361 PolarHBondContact ND1-N 3.1Å; V361-M370 HydrophobicContact CB-CB 4.1Å; V361-M370 HydrophobicContact CG1-CB 4.32Å; V361-M370 HydrophobicContact CG1-CE 3.76Å; V361-M370 WeakPolarHBondContact O-CB 3.42Å; V361-M370 PolarHBondContact O-N 3.14Å; V361-Y383 HydrophobicContact CG1-CE1 4.23Å; V361-P395 HydrophobicContact CG2-CG 4Å; V361-F397 HydrophobicContact CG2-CZ 4.11Å; V361-Y398 HydrophobicContact CG2-CD1 4.43Å; V361-Y398 HydrophobicContact CG2-CG 4.4Å
362	R	98.6	Very high	98	Very high	63 Å²	63	51 Å²	51	24%	0.238	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-139.9	144.2	-172.3	-67.1	169.3	82.2	175.5	6	111.6	P360 N364 K367 A368 Y369 Y383 Y430	P360-R362 WeakPolarHBondContact O-CG 3.43Å; R362-N364 PolarHBondContact O-N 2.95Å; R362-K367 PolarHBondContact NE-O 3.23Å; R362-K367 PolarHBondContact NH2-O 3.47Å; R362-A368 CarbonylContact C-O 3.47Å; R362-A368 WeakPolarHBondContact CA-O 3.49Å; R362-Y369 VanDerWaalsContact CD-CE1 3.44Å; R362-Y369 HydrophobicContact CG-CD1 3.46Å; R362-Y369 VanDerWaalsContact CG-CD1 3.46Å; R362-Y369 HydrophobicContact CG-CE1 3.87Å; R362-Y369 HydrophobicContact CG-CG 4.15Å; R362-Y383 PolarHBondContact O-OH 2.92Å; R362-Y383 VanDerWaalsContact O-OH 3.1Å; R362-Y430 WeakPolarHBondContact CD-OH 3.49Å; R362-Y430 PolarHBondContact NH1-OH 2.67Å
363	C	98.8	Very high	98	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.			trans	-59.7	129.5	170.4	173.9	0	0	0	0	110.7	R365 K367 A368 Y383 C385 N392	C363-R365 PolarHBondContact O-N 3.05Å; C363-K367 VanDerWaalsContact O-CA 3.23Å; C363-K367 WeakPolarHBondContact O-CA 3.29Å; C363-K367 PolarHBondContact O-N 2.99Å; C363-A368 PolarHBondContact N-O 3.4Å; C363-Y383 PolarHBondContact N-OH 2.97Å; C363-C385 HydrophobicContact CB-CB 3.77Å; C363-C385 VanDerWaalsContact CB-SG 3.53Å; C363-C385 WeakPolarHBondContact SG-CB 3.27Å; C363-N392 PolarHBondContact SG-OD1 2.72Å
364	N	98.4	Very high	98	Very high	106 Å²	106	48.9 Å²	48.9	57%	0.567	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.9	-175.7	-78.9	-40.6	0	0	0	113.2	R362 K367 N392	R362-N364 PolarHBondContact O-N 2.95Å; N364-K367 WeakPolarHBondContact O-CE 3.28Å; N364-K367 PolarHBondContact O-NZ 3.42Å; N364-N392 PolarHBondContact N-OD1 2.69Å
365	R	98.5	Very high	98	Very high	164 Å²	164	49.8 Å²	49.8	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-73.9	-178.6	-170	-177.9	-63.8	173.6	-2.8	112.8	C363 K367 C388 C390	C363-R365 PolarHBondContact O-N 3.05Å; R365-K367 VanDerWaalsContact C-N 3.31Å; R365-K367 PolarHBondContact O-N 2.72Å; R365-C388 PolarHBondContact NH1-O 2.91Å; R365-C390 HydrophobicContact CB-CB 3.91Å
366	C	98.2	Very high	97.9	Very high	40 Å²	40	50.1 Å²	50.1	27%	0.27	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.6	-174.5	66.6	0	0	0	0	114.8	A368 C388	C366-A368 PolarHBondContact O-N 3.35Å; C366-A368 VanDerWaalsContact O-N 3.08Å; C366-A368 VanDerWaalsContact SG-CB 3.57Å; C366-C388 HydrophobicContact CB-CB 4.1Å
367	K	98.6	Very high	97.9	Very high	103 Å²	103	50.6 Å²	50.6	45%	0.448	25%	0.246	S	C	.	.			trans	56.8	20.5	-178.2	-49.4	-56	-167.4	-170.7	0	114.9	R362 C363 N364 R365 R694	R362-K367 PolarHBondContact NE-O 3.23Å; R362-K367 PolarHBondContact NH2-O 3.47Å; C363-K367 VanDerWaalsContact O-CA 3.23Å; C363-K367 WeakPolarHBondContact O-CA 3.29Å; C363-K367 PolarHBondContact O-N 2.99Å; N364-K367 WeakPolarHBondContact O-CE 3.28Å; N364-K367 PolarHBondContact O-NZ 3.42Å; R365-K367 VanDerWaalsContact C-N 3.31Å; R365-K367 PolarHBondContact O-N 2.72Å; K367-R694 PolarHBondContact O-NE 3.24Å
368	A	98.8	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-65.1	142.1	167.1	0	0	0	0	0	110.4	R362 C363 C366 M374 F387 Q746	R362-A368 CarbonylContact C-O 3.47Å; R362-A368 WeakPolarHBondContact CA-O 3.49Å; C363-A368 PolarHBondContact N-O 3.4Å; C366-A368 PolarHBondContact O-N 3.35Å; C366-A368 VanDerWaalsContact O-N 3.08Å; C366-A368 VanDerWaalsContact SG-CB 3.57Å; A368-M374 HydrophobicContact CB-CE 4.34Å; A368-F387 HydrophobicContact CB-CD2 3.56Å; A368-F387 HydrophobicContact CB-CE2 3.9Å; A368-F387 HydrophobicContact CB-CG 4.14Å; A368-Q746 VanDerWaalsContact CA-OE1 3.3Å
369	Y	98.9	Very high	98	Very high	11 Å²	11	44.3 Å²	44.3	4%	0.043	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-78.5	152.7	-179.9	-58.2	-85.7	0	0	0	111.3	P360 R362 C371 M374 Y424 Y430 Q746 A748 L760 I762	P360-Y369 HydrophobicContact CB-CD1 4.03Å; P360-Y369 HydrophobicContact CB-CE1 4.45Å; P360-Y369 HydrophobicContact CG-CD1 3.97Å; P360-Y369 HydrophobicContact CG-CE1 3.89Å; R362-Y369 VanDerWaalsContact CD-CE1 3.44Å; R362-Y369 HydrophobicContact CG-CD1 3.46Å; R362-Y369 VanDerWaalsContact CG-CD1 3.46Å; R362-Y369 HydrophobicContact CG-CE1 3.87Å; R362-Y369 HydrophobicContact CG-CG 4.15Å; Y369-C371 PolarHBondContact O-N 3.27Å; Y369-M374 WeakPolarHBondContact O-CE 3.2Å; Y369-Y424 HydrophobicContact CD1-CE2 4.5Å; Y369-Y430 HydrophobicContact CE1-CE1 4.34Å; Y369-Q746 PolarHBondContact O-NE2 2.92Å; Y369-A748 HydrophobicContact CD2-CB 3.89Å; Y369-A748 HydrophobicContact CE2-CB 3.48Å; Y369-A748 VanDerWaalsContact CE2-CB 3.48Å; Y369-L760 HydrophobicContact CE1-CD1 3.84Å; Y369-L760 HydrophobicContact CE1-CD2 4.46Å; Y369-L760 HydrophobicContact CE2-CD2 4.44Å; Y369-L760 WeakPolarHBondContact OH-CD2 3.43Å; Y369-I762 HydrophobicContact CD2-CD1 3.64Å; Y369-I762 HydrophobicContact CE2-CD1 4.02Å; Y369-I762 HydrophobicContact CG-CD1 3.99Å
370	M	98.8	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-53.4	132.1	170.5	-179.8	62	62.3	0	0	109.9	V361 M374 F376 Y383 Y398 E416 L417 Y422 Y424	V361-M370 HydrophobicContact CB-CB 4.1Å; V361-M370 HydrophobicContact CG1-CB 4.32Å; V361-M370 HydrophobicContact CG1-CE 3.76Å; V361-M370 WeakPolarHBondContact O-CB 3.42Å; V361-M370 PolarHBondContact O-N 3.14Å; M370-M374 HydrophobicContact CE-CB 4.29Å; M370-M374 HydrophobicContact CE-CG 4.2Å; M370-M374 HydrophobicContact SD-CB 3.7Å; M370-M374 HydrophobicContact SD-CG 3.64Å; M370-F376 HydrophobicContact CE-CE1 4.35Å; M370-F376 HydrophobicContact CE-CZ 3.89Å; M370-F376 HydrophobicContact SD-CE2 4.26Å; M370-F376 HydrophobicContact SD-CZ 3.75Å; M370-Y383 HydrophobicContact CE-CD1 4.06Å; M370-Y383 HydrophobicContact CE-CD2 3.99Å; M370-Y383 HydrophobicContact CE-CE1 3.91Å; M370-Y383 HydrophobicContact CE-CE2 3.85Å; M370-Y383 HydrophobicContact CE-CG 4.09Å; M370-Y398 HydrophobicContact CE-CE1 4.03Å; M370-Y398 HydrophobicContact CG-CE1 4.09Å; M370-Y398 WeakPolarHBondContact CG-OH 3.02Å; M370-Y398 HydrophobicContact SD-CE1 4.27Å; M370-E416 HydrophobicContact CG-CG 4.23Å; M370-L417 HydrophobicContact CG-CD2 4.06Å; M370-L417 HydrophobicContact SD-CD2 3.76Å; M370-Y422 PolarHBondContact O-OH 2.86Å; M370-Y424 WeakPolarHBondContact CB-OH 3.28Å; M370-Y424 PolarHBondContact O-OH 2.98Å
371	C	98.7	Very high	97.9	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	25%	0.248	C	C	.	.			trans	-163	169.3	-166.4	67.2	0	0	0	0	109.7	Y369 F373 M374 E416 Y422 N764	Y369-C371 PolarHBondContact O-N 3.27Å; C371-F373 PolarHBondContact O-N 3.4Å; C371-M374 WeakPolarHBondContact O-CG 3.38Å; C371-M374 PolarHBondContact O-N 3Å; C371-M374 VanDerWaalsContact O-N 3.16Å; C371-E416 CarbonylContact C-O 3.59Å; C371-E416 WeakPolarHBondContact CA-O 3.26Å; C371-E416 PolarHBondContact N-O 2.88Å; C371-Y422 VanDerWaalsContact CA-OH 3.29Å; C371-Y422 WeakPolarHBondContact CA-OH 3.49Å; C371-Y422 VanDerWaalsContact CB-OH 3.29Å; C371-Y422 WeakPolarHBondContact CB-OH 3.4Å; C371-N764 WeakPolarHBondContact CB-OD1 3.31Å
372	P	98.4	Very high	97.9	Very high	34 Å²	34	56 Å²	56	22%	0.221	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22	176.5	-26.5	34.1	0	0	0	115.9	M374 L417 L419	P372-M374 VanDerWaalsContact C-N 3.26Å; P372-M374 PolarHBondContact O-N 3.43Å; P372-L417 WeakPolarHBondContact CA-O 3.46Å; P372-L417 WeakPolarHBondContact CB-O 3.48Å; P372-L419 WeakPolarHBondContact CD-O 3.42Å; P372-L419 WeakPolarHBondContact CG-O 3.33Å
373	F	98.3	Very high	97.8	Very high	39 Å²	39	53.2 Å²	53.2	17%	0.171	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	19.1	179.8	-44.9	-36.8	0	0	0	114.6	C371 G386 F387 L744 N764	C371-F373 PolarHBondContact O-N 3.4Å; F373-G386 PolarHBondContact O-N 3.46Å; F373-F387 AromaticContact CD2-CZ 3.94Å; F373-F387 HydrophobicContact CD2-CZ 3.94Å; F373-L744 HydrophobicContact CB-CD1 3.82Å; F373-L744 HydrophobicContact CD1-CD2 4.43Å; F373-L744 HydrophobicContact CD2-CB 4.25Å; F373-L744 HydrophobicContact CD2-CD1 4Å; F373-L744 HydrophobicContact CD2-CD2 3.94Å; F373-L744 HydrophobicContact CD2-CG 4.29Å; F373-L744 HydrophobicContact CE2-CD2 4.1Å; F373-L744 HydrophobicContact CG-CD1 4.04Å; F373-L744 HydrophobicContact CG-CD2 4.13Å; F373-L744 HydrophobicContact CZ-CD2 4.45Å; F373-N764 HydrophobicContact CD2-CB 4.37Å; F373-N764 HydrophobicContact CE2-CB 3.75Å; F373-N764 HydrophobicContact CZ-CB 4.22Å
374	M	98.3	Very high	97.8	Very high	9 Å²	9	56 Å²	56	4%	0.044	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	110.8	173.6	-62.1	-61.2	179.5	0	0	109.8	A368 Y369 M370 C371 P372 F376 Y383 C385 F387	A368-M374 HydrophobicContact CB-CE 4.34Å; Y369-M374 WeakPolarHBondContact O-CE 3.2Å; M370-M374 HydrophobicContact CE-CB 4.29Å; M370-M374 HydrophobicContact CE-CG 4.2Å; M370-M374 HydrophobicContact SD-CB 3.7Å; M370-M374 HydrophobicContact SD-CG 3.64Å; C371-M374 WeakPolarHBondContact O-CG 3.38Å; C371-M374 PolarHBondContact O-N 3Å; C371-M374 VanDerWaalsContact O-N 3.16Å; P372-M374 VanDerWaalsContact C-N 3.26Å; P372-M374 PolarHBondContact O-N 3.43Å; M374-F376 WeakPolarHBondContact O-CD2 3.37Å; M374-F376 PolarHBondContact O-N 3.17Å; M374-Y383 HydrophobicContact CB-CD2 3.89Å; M374-Y383 HydrophobicContact CE-CE2 4.45Å; M374-Y383 HydrophobicContact CG-CD2 4.06Å; M374-Y383 HydrophobicContact CG-CE2 4.2Å; M374-Y383 HydrophobicContact SD-CD2 3.75Å; M374-Y383 HydrophobicContact SD-CE2 3.65Å; M374-C385 HydrophobicContact SD-CB 3.9Å; M374-F387 HydrophobicContact CE-CD2 4.23Å; M374-F387 HydrophobicContact CE-CE2 4.21Å
375	Q	97.2	Very high	97.9	Very high	126 Å²	126	51 Å²	51	59%	0.589	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	112	-178.4	-175.5	177	5.4	0	0	110.3	I377 Y383 Q384	Q375-I377 HydrophobicContact CG-CG2 4.4Å; Q375-Y383 CarbonylContact O-C 3.46Å; Q375-Y383 VanDerWaalsContact O-CA 3.24Å; Q375-Y383 WeakPolarHBondContact O-CA 3.48Å; Q375-Q384 PolarHBondContact N-O 2.96Å; Q375-Q384 PolarHBondContact O-N 3.4Å
376	F	97.9	Very high	97.8	Very high	24 Å²	24	44.5 Å²	44.5	11%	0.105	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	141.7	176	-66.2	-92.5	0	0	0	111.5	M370 M374 R382 V394 Y398 L402 R408 L417	M370-F376 HydrophobicContact CE-CE1 4.35Å; M370-F376 HydrophobicContact CE-CZ 3.89Å; M370-F376 HydrophobicContact SD-CE2 4.26Å; M370-F376 HydrophobicContact SD-CZ 3.75Å; M374-F376 WeakPolarHBondContact O-CD2 3.37Å; M374-F376 PolarHBondContact O-N 3.17Å; F376-R382 WeakPolarHBondContact CA-O 3.26Å; F376-V394 HydrophobicContact CD1-CG2 3.91Å; F376-V394 HydrophobicContact CE1-CG2 3.81Å; F376-Y398 HydrophobicContact CZ-CE1 4.3Å; F376-L402 HydrophobicContact CB-CD1 4.47Å; F376-L402 HydrophobicContact CB-CD2 3.64Å; F376-R408 VanDerWaalsContact CE1-NH1 3.31Å; F376-R408 HydrophobicContact CG-CG 4.47Å; F376-L417 HydrophobicContact CE2-CD2 3.82Å; F376-L417 HydrophobicContact CZ-CD2 3.98Å
377	I	96.9	Very high	97.9	Very high	47 Å²	47	42.8 Å²	42.8	24%	0.241	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	178.1	-175.7	63.5	175.2	0	0	0	110.4	Q375 G379 G380 R381 R382 V391	Q375-I377 HydrophobicContact CG-CG2 4.4Å; I377-G379 VanDerWaalsContact C-N 3.29Å; I377-G379 PolarHBondContact O-N 3.34Å; I377-G380 PolarHBondContact O-N 3.4Å; I377-R381 PolarHBondContact O-N 3.03Å; I377-R382 HydrophobicContact CD1-CB 4.35Å; I377-R382 HydrophobicContact CG1-CB 3.83Å; I377-R382 PolarHBondContact N-O 2.86Å; I377-R382 PolarHBondContact O-N 3.3Å; I377-V391 HydrophobicContact CD1-CG1 4.03Å; I377-V391 HydrophobicContact CD1-CG2 4.19Å
378	E	95.6	Very high	97.8	Very high	103 Å²	103	38.7 Å²	38.7	48%	0.481	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	52.2	43.3	176.9	-62.8	-178.7	-155.3	0	0	113.4	G380 R381 R382	E378-G380 PolarHBondContact O-N 3.38Å; E378-R381 HydrophobicContact CB-CB 4.41Å; E378-R381 WeakPolarHBondContact O-CB 3.38Å; E378-R381 WeakPolarHBondContact O-CG 3.45Å; E378-R381 PolarHBondContact O-N 3.35Å; E378-R382 VanDerWaalsContact CD-NH1 3.28Å; E378-R382 WeakPolarHBondContact OE1-CD 3.35Å; E378-R382 IonicContact OE1-CZ 2.79Å; E378-R382 IonicContact OE1-NE 2.67Å; E378-R382 IonicContact OE1-NH1 3.4Å; E378-R382 PolarHBondContact OE1-NH1 3.34Å; E378-R382 WeakPolarHBondContact OE2-CD 3.31Å; E378-R382 IonicContact OE2-CZ 3.72Å; E378-R382 IonicContact OE2-NE 2.67Å; E378-R382 IonicContact OE2-NH1 2.73Å; E378-R382 PolarHBondContact OE2-NH1 3.31Å
379	G	94.6	Very high	97.8	Very high	42 Å²	42	43 Å²	43	43%	0.433	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	68.4	18	-178.7	0	0	0	0	0	114.8	I377	I377-G379 VanDerWaalsContact C-N 3.29Å; I377-G379 PolarHBondContact O-N 3.34Å
380	G	96	Very high	97.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	99.3	-0.1	-179.8	0	0	0	0	0	113.8	I377 E378 R382 V394 F399	I377-G380 PolarHBondContact O-N 3.4Å; E378-G380 PolarHBondContact O-N 3.38Å; G380-R382 VanDerWaalsContact C-N 3.35Å; G380-V394 WeakPolarHBondContact O-CG2 3.44Å; G380-F399 WeakPolarHBondContact O-CD2 3.19Å
381	R	97.4	Very high	97.8	Very high	178 Å²	178	46.4 Å²	46.4	67%	0.672	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-23	-178.5	-65	177.1	176.8	-177.6	-0.7	113.4	I377 E378 V394 F399	I377-R381 PolarHBondContact O-N 3.03Å; E378-R381 HydrophobicContact CB-CB 4.41Å; E378-R381 WeakPolarHBondContact O-CB 3.38Å; E378-R381 WeakPolarHBondContact O-CG 3.45Å; E378-R381 PolarHBondContact O-N 3.35Å; R381-V394 PolarHBondContact O-N 3.11Å; R381-F399 HydrophobicContact CG-CD2 4.48Å; R381-F399 HydrophobicContact CG-CE2 3.83Å
382	R	98.3	Very high	97.8	Very high	87 Å²	87	46.5 Å²	46.5	33%	0.328	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.4	-179.8	-63.3	-162.7	170	132.4	-5.1	111.2	F376 I377 E378 G380 V391 N392 D393	F376-R382 WeakPolarHBondContact CA-O 3.26Å; I377-R382 HydrophobicContact CD1-CB 4.35Å; I377-R382 HydrophobicContact CG1-CB 3.83Å; I377-R382 PolarHBondContact N-O 2.86Å; I377-R382 PolarHBondContact O-N 3.3Å; E378-R382 VanDerWaalsContact CD-NH1 3.28Å; E378-R382 WeakPolarHBondContact OE1-CD 3.35Å; E378-R382 IonicContact OE1-CZ 2.79Å; E378-R382 IonicContact OE1-NE 2.67Å; E378-R382 IonicContact OE1-NH1 3.4Å; E378-R382 PolarHBondContact OE1-NH1 3.34Å; E378-R382 WeakPolarHBondContact OE2-CD 3.31Å; E378-R382 IonicContact OE2-CZ 3.72Å; E378-R382 IonicContact OE2-NE 2.67Å; E378-R382 IonicContact OE2-NH1 2.73Å; E378-R382 PolarHBondContact OE2-NH1 3.31Å; G380-R382 VanDerWaalsContact C-N 3.35Å; R382-V391 HydrophobicContact CB-CG1 3.96Å; R382-V391 HydrophobicContact CG-CG1 4.4Å; R382-N392 CarbonylContact C-O 3.56Å; R382-N392 VanDerWaalsContact CA-O 3.27Å; R382-N392 WeakPolarHBondContact CA-O 3.13Å; R382-N392 WeakPolarHBondContact CB-O 3.4Å; R382-D393 IonicContact CZ-OD1 3.29Å; R382-D393 IonicContact NE-OD1 3.71Å; R382-D393 PolarHBondContact NE-OD1 2.91Å; R382-D393 IonicContact NH2-OD1 3.13Å; R382-D393 PolarHBondContact NH2-OD1 3.2Å
383	Y	98.3	Very high	97.8	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.9	169.1	71.6	-80.7	0	0	0	112	V361 R362 C363 M370 M374 Q375 V391 N392 V394	V361-Y383 HydrophobicContact CG1-CE1 4.23Å; R362-Y383 PolarHBondContact O-OH 2.92Å; R362-Y383 VanDerWaalsContact O-OH 3.1Å; C363-Y383 PolarHBondContact N-OH 2.97Å; M370-Y383 HydrophobicContact CE-CD1 4.06Å; M370-Y383 HydrophobicContact CE-CD2 3.99Å; M370-Y383 HydrophobicContact CE-CE1 3.91Å; M370-Y383 HydrophobicContact CE-CE2 3.85Å; M370-Y383 HydrophobicContact CE-CG 4.09Å; M374-Y383 HydrophobicContact CB-CD2 3.89Å; M374-Y383 HydrophobicContact CE-CE2 4.45Å; M374-Y383 HydrophobicContact CG-CD2 4.06Å; M374-Y383 HydrophobicContact CG-CE2 4.2Å; M374-Y383 HydrophobicContact SD-CD2 3.75Å; M374-Y383 HydrophobicContact SD-CE2 3.65Å; Q375-Y383 CarbonylContact O-C 3.46Å; Q375-Y383 VanDerWaalsContact O-CA 3.24Å; Q375-Y383 WeakPolarHBondContact O-CA 3.48Å; Y383-V391 CarbonylContact O-C 3.5Å; Y383-V391 WeakPolarHBondContact O-CA 3.26Å; Y383-N392 HydrophobicContact CD1-CB 4.12Å; Y383-N392 HydrophobicContact CE1-CB 3.62Å; Y383-N392 HydrophobicContact CE2-CB 4.26Å; Y383-N392 PolarHBondContact N-O 3.12Å; Y383-N392 PolarHBondContact O-N 3.03Å; Y383-N392 PolarHBondContact O-ND2 3.18Å; Y383-V394 HydrophobicContact CD1-CG2 3.78Å
384	Q	98.6	Very high	97.8	Very high	60 Å²	60	48.6 Å²	48.6	28%	0.28	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.1	169	-167.5	169.7	29.2	0	0	109.7	Q375 G386 N389 V391	Q375-Q384 PolarHBondContact N-O 2.96Å; Q375-Q384 PolarHBondContact O-N 3.4Å; Q384-G386 PolarHBondContact O-N 3.39Å; Q384-N389 PolarHBondContact NE2-O 2.9Å; Q384-V391 HydrophobicContact CB-CG2 4.3Å; Q384-V391 HydrophobicContact CG-CG2 4.24Å
385	C	98.8	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.9	-179.2	170.2	0	0	0	0	111.2	C363 M374 F387 C388 N389 C390	C363-C385 HydrophobicContact CB-CB 3.77Å; C363-C385 VanDerWaalsContact CB-SG 3.53Å; C363-C385 WeakPolarHBondContact SG-CB 3.27Å; M374-C385 HydrophobicContact SD-CB 3.9Å; C385-F387 PolarHBondContact O-N 3.07Å; C385-C388 PolarHBondContact O-N 3.2Å; C385-N389 WeakPolarHBondContact O-CA 3.48Å; C385-N389 PolarHBondContact O-N 2.93Å; C385-C390 WeakPolarHBondContact CB-O 3.13Å; C385-C390 PolarHBondContact N-O 2.72Å
386	G	98.3	Very high	97.8	Very high	28 Å²	28	49.8 Å²	49.8	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-21.3	-178.4	0	0	0	0	0	115.4	F373 Q384	F373-G386 PolarHBondContact O-N 3.46Å; Q384-G386 PolarHBondContact O-N 3.39Å
387	F	98.6	Very high	97.8	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.013	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-27.8	174.6	-58.5	-82.7	0	0	0	115	A368 F373 M374 C385 S696 T697 L744 Q746	A368-F387 HydrophobicContact CB-CD2 3.56Å; A368-F387 HydrophobicContact CB-CE2 3.9Å; A368-F387 HydrophobicContact CB-CG 4.14Å; F373-F387 AromaticContact CD2-CZ 3.94Å; F373-F387 HydrophobicContact CD2-CZ 3.94Å; M374-F387 HydrophobicContact CE-CD2 4.23Å; M374-F387 HydrophobicContact CE-CE2 4.21Å; C385-F387 PolarHBondContact O-N 3.07Å; F387-S696 CarbonylContact O-C 3.17Å; F387-S696 VanDerWaalsContact O-CA 3.24Å; F387-S696 WeakPolarHBondContact O-CA 3Å; F387-T697 PolarHBondContact O-N 3.42Å; F387-T697 PolarHBondContact O-OG1 3.44Å; F387-L744 HydrophobicContact CD1-CB 3.88Å; F387-L744 HydrophobicContact CD1-CD1 4.45Å; F387-L744 HydrophobicContact CE1-CB 3.63Å; F387-L744 HydrophobicContact CE1-CD1 4.46Å; F387-L744 HydrophobicContact CZ-CB 4.44Å; F387-Q746 HydrophobicContact CE1-CB 3.81Å; F387-Q746 HydrophobicContact CE2-CB 4.5Å; F387-Q746 HydrophobicContact CZ-CB 3.61Å
388	C	98.1	Very high	97.9	Very high	18 Å²	18	51.7 Å²	51.7	12%	0.122	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.9	11.2	-171.7	69.5	0	0	0	0	115	R365 C366 C385 C390	R365-C388 PolarHBondContact NH1-O 2.91Å; C366-C388 HydrophobicContact CB-CB 4.1Å; C385-C388 PolarHBondContact O-N 3.2Å; C388-C390 PolarHBondContact O-N 2.94Å
389	N	98.1	Very high	98	Very high	91 Å²	91	50.3 Å²	50.3	49%	0.487	27%	0.269	S	S	.	.			trans	53.8	11.1	179.9	-58.1	-22.5	0	0	0	115.5	Q384 C385 V391	Q384-N389 PolarHBondContact NE2-O 2.9Å; C385-N389 WeakPolarHBondContact O-CA 3.48Å; C385-N389 PolarHBondContact O-N 2.93Å; N389-V391 PolarHBondContact O-N 3.18Å
390	C	98.5	Very high	98.2	Very high	17 Å²	17	51.2 Å²	51.2	12%	0.115	26%	0.262	C	S	.	.			trans	-70.6	125.8	173.4	-165.9	0	0	0	0	109.8	R365 C385 C388 N392	R365-C390 HydrophobicContact CB-CB 3.91Å; C385-C390 WeakPolarHBondContact CB-O 3.13Å; C385-C390 PolarHBondContact N-O 2.72Å; C388-C390 PolarHBondContact O-N 2.94Å; C390-N392 PolarHBondContact O-ND2 3.48Å
391	V	98.8	Very high	98.2	Very high	64 Å²	64	56.3 Å²	56.3	39%	0.388	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	146	166.7	-177.7	0	0	0	0	109.2	I377 R382 Y383 Q384 N389	I377-V391 HydrophobicContact CD1-CG1 4.03Å; I377-V391 HydrophobicContact CD1-CG2 4.19Å; R382-V391 HydrophobicContact CB-CG1 3.96Å; R382-V391 HydrophobicContact CG-CG1 4.4Å; Y383-V391 CarbonylContact O-C 3.5Å; Y383-V391 WeakPolarHBondContact O-CA 3.26Å; Q384-V391 HydrophobicContact CB-CG2 4.3Å; Q384-V391 HydrophobicContact CG-CG2 4.24Å; N389-V391 PolarHBondContact O-N 3.18Å
392	N	98.8	Very high	98.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	145.3	178.4	-40.5	-99.6	0	0	0	108	C363 N364 R382 Y383 C390	C363-N392 PolarHBondContact SG-OD1 2.72Å; N364-N392 PolarHBondContact N-OD1 2.69Å; R382-N392 CarbonylContact C-O 3.56Å; R382-N392 VanDerWaalsContact CA-O 3.27Å; R382-N392 WeakPolarHBondContact CA-O 3.13Å; R382-N392 WeakPolarHBondContact CB-O 3.4Å; Y383-N392 HydrophobicContact CD1-CB 4.12Å; Y383-N392 HydrophobicContact CE1-CB 3.62Å; Y383-N392 HydrophobicContact CE2-CB 4.26Å; Y383-N392 PolarHBondContact N-O 3.12Å; Y383-N392 PolarHBondContact O-N 3.03Å; Y383-N392 PolarHBondContact O-ND2 3.18Å; C390-N392 PolarHBondContact O-ND2 3.48Å
393	D	98.6	Very high	97.8	Very high	101 Å²	101	47.6 Å²	47.6	54%	0.54	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	144.7	172.1	-50.3	-84.2	0	0	0	111	R382	R382-D393 IonicContact CZ-OD1 3.29Å; R382-D393 IonicContact NE-OD1 3.71Å; R382-D393 PolarHBondContact NE-OD1 2.91Å; R382-D393 IonicContact NH2-OD1 3.13Å; R382-D393 PolarHBondContact NH2-OD1 3.2Å
394	V	98.6	Very high	97.2	Very high	16 Å²	16	56.1 Å²	56.1	10%	0.097	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-82.2	126.2	177	174.9	0	0	0	0	109	F376 G380 R381 Y383 Y398 F399	F376-V394 HydrophobicContact CD1-CG2 3.91Å; F376-V394 HydrophobicContact CE1-CG2 3.81Å; G380-V394 WeakPolarHBondContact O-CG2 3.44Å; R381-V394 PolarHBondContact O-N 3.11Å; Y383-V394 HydrophobicContact CD1-CG2 3.78Å; V394-Y398 HydrophobicContact CG1-CD1 4.14Å; V394-Y398 WeakPolarHBondContact CG1-O 3.4Å; V394-F399 HydrophobicContact CG1-CB 4.34Å
395	P	98.1	Very high	96.6	Very high	33 Å²	33	59.2 Å²	59.2	21%	0.214	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.3	179.2	-27.6	36.9	0	0	0	112.5	V361 F397 Y398 F399	V361-P395 HydrophobicContact CG2-CG 4Å; P395-F397 VanDerWaalsContact C-N 3.32Å; P395-F397 HydrophobicContact CB-CD1 3.77Å; P395-F397 HydrophobicContact CB-CE1 3.48Å; P395-F397 VanDerWaalsContact CB-CE1 3.48Å; P395-F397 HydrophobicContact CB-CZ 4.25Å; P395-F397 HydrophobicContact CG-CE1 4.25Å; P395-F397 PolarHBondContact O-N 3.03Å; P395-Y398 CarbonylContact O-C 3.49Å; P395-Y398 WeakPolarHBondContact O-CA 3.41Å; P395-Y398 PolarHBondContact O-N 3.34Å; P395-F399 PolarHBondContact O-N 3.33Å; P395-F399 VanDerWaalsContact O-N 3.08Å
396	P	98	Very high	95.8	Very high	127 Å²	127	61.2 Å²	61.2	83%	0.825	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-55.4	-40.3	-174.2	-29.1	35.8	0	0	0	114.8	Y398 F399	P396-Y398 PolarHBondContact O-N 3.08Å; P396-F399 PolarHBondContact O-N 3.38Å
397	F	97.8	Very high	95.4	Very high	106 Å²	106	63.9 Å²	63.9	47%	0.465	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-67.8	-17.9	177.4	76	-92.1	0	0	0	113.7	H355 V361 P395	H355-F397 HydrophobicContact CB-CE2 4.01Å; H355-F397 HydrophobicContact CB-CZ 4.27Å; H355-F397 WeakPolarHBondContact O-CE2 3.32Å; V361-F397 HydrophobicContact CG2-CZ 4.11Å; P395-F397 VanDerWaalsContact C-N 3.32Å; P395-F397 HydrophobicContact CB-CD1 3.77Å; P395-F397 HydrophobicContact CB-CE1 3.48Å; P395-F397 VanDerWaalsContact CB-CE1 3.48Å; P395-F397 HydrophobicContact CB-CZ 4.25Å; P395-F397 HydrophobicContact CG-CE1 4.25Å; P395-F397 PolarHBondContact O-N 3.03Å
398	Y	98.1	Very high	95.2	Very high	5 Å²	5	64 Å²	64	2%	0.02	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-111.8	4	-176.6	-164.8	-106.1	0	0	0	112.3	H355 V361 M370 F376 V394 P395 P396 R408 K414 E416 L417	H355-Y398 AromaticContact CE1-CE2 3.66Å; H355-Y398 AromaticContact NE2-CE2 3.55Å; V361-Y398 HydrophobicContact CG2-CD1 4.43Å; V361-Y398 HydrophobicContact CG2-CG 4.4Å; M370-Y398 HydrophobicContact CE-CE1 4.03Å; M370-Y398 HydrophobicContact CG-CE1 4.09Å; M370-Y398 WeakPolarHBondContact CG-OH 3.02Å; M370-Y398 HydrophobicContact SD-CE1 4.27Å; F376-Y398 HydrophobicContact CZ-CE1 4.3Å; V394-Y398 HydrophobicContact CG1-CD1 4.14Å; V394-Y398 WeakPolarHBondContact CG1-O 3.4Å; P395-Y398 CarbonylContact O-C 3.49Å; P395-Y398 WeakPolarHBondContact O-CA 3.41Å; P395-Y398 PolarHBondContact O-N 3.34Å; P396-Y398 PolarHBondContact O-N 3.08Å; Y398-R408 VanDerWaalsContact O-CZ 3.23Å; Y398-R408 PolarHBondContact O-NH1 3.15Å; Y398-R408 PolarHBondContact O-NH2 2.82Å; Y398-K414 HydrophobicContact CE2-CD 4.16Å; Y398-E416 WeakPolarHBondContact CE2-OE1 3.43Å; Y398-E416 PolarHBondContact OH-OE1 3.28Å; Y398-L417 VanDerWaalsContact OH-CD2 3.31Å; Y398-L417 WeakPolarHBondContact OH-CD2 3.36Å; Y398-L417 WeakPolarHBondContact OH-CG 3.45Å
399	F	97.9	Very high	95.1	Very high	73 Å²	73	68.4 Å²	68.4	32%	0.32	36%	0.359	S	S	.	.			trans	-66.6	138.6	177	174.1	-100.1	0	0	0	111.6	G380 R381 V394 P395 P396 H401	G380-F399 WeakPolarHBondContact O-CD2 3.19Å; R381-F399 HydrophobicContact CG-CD2 4.48Å; R381-F399 HydrophobicContact CG-CE2 3.83Å; V394-F399 HydrophobicContact CG1-CB 4.34Å; P395-F399 PolarHBondContact O-N 3.33Å; P395-F399 VanDerWaalsContact O-N 3.08Å; P396-F399 PolarHBondContact O-N 3.38Å; F399-H401 AromaticContact CE1-CD2 3.95Å; F399-H401 AromaticContact CE1-CE1 3.86Å; F399-H401 AromaticContact CE1-NE2 3.66Å; F399-H401 AromaticContact CZ-CE1 3.77Å; F399-H401 AromaticContact CZ-ND1 3.85Å
400	Q	97.8	Very high	94.9	Very high	61 Å²	61	64.2 Å²	64.2	29%	0.285	34%	0.337	S	S	.	.			trans	-152	149.7	167.3	-175.8	56.2	-85.9	0	0	109	R408 L409 D410	Q400-R408 HydrophobicContact CB-CG 4.19Å; Q400-R408 HydrophobicContact CG-CG 4.49Å; Q400-L409 HydrophobicContact CG-CB 4.17Å; Q400-D410 HydrophobicContact CG-CB 4.29Å
401	H	97	Very high	94.8	Very high	107 Å²	107	65.2 Å²	65.2	50%	0.495	34%	0.339	S	S	.	.			trans	-68.3	156.9	178.7	-68.4	-81.7	0	0	0	113.1	F399 L409	F399-H401 AromaticContact CE1-CD2 3.95Å; F399-H401 AromaticContact CE1-CE1 3.86Å; F399-H401 AromaticContact CE1-NE2 3.66Å; F399-H401 AromaticContact CZ-CE1 3.77Å; F399-H401 AromaticContact CZ-ND1 3.85Å; H401-L409 HydrophobicContact CB-CD1 4.08Å; H401-L409 PolarHBondContact O-N 3.39Å
402	L	95.8	Very high	94.6	Very high	37 Å²	37	70.5 Å²	70.5	19%	0.194	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-90.2	150.8	166.1	-53.1	179.2	0	0	0	110.7	F376 R407 R408	F376-L402 HydrophobicContact CB-CD1 4.47Å; F376-L402 HydrophobicContact CB-CD2 3.64Å; L402-R407 CarbonylContact C-O 3.53Å; L402-R407 VanDerWaalsContact CA-O 3.28Å; L402-R407 WeakPolarHBondContact CA-O 3.36Å; L402-R408 HydrophobicContact CD2-CB 4.16Å; L402-R408 HydrophobicContact CD2-CG 3.94Å
403	D	91.3	Very high	94.5	Very high	46 Å²	46	77.6 Å²	77.6	25%	0.246	39%	0.387	C	S	.	.			trans	-80.8	-173.3	168.6	71.8	11.8	0	0	0	112.3	I405 G406 R407 L409	D403-I405 PolarHBondContact O-N 2.86Å; D403-I405 WeakPolarHBondContact OD1-CA 3.44Å; D403-I405 WeakPolarHBondContact OD1-CG1 3.46Å; D403-I405 PolarHBondContact OD1-N 2.86Å; D403-I405 WeakPolarHBondContact OD2-CG1 3.24Å; D403-G406 PolarHBondContact O-N 2.6Å; D403-G406 PolarHBondContact OD1-N 3Å; D403-R407 PolarHBondContact N-O 3.5Å; D403-R407 PolarHBondContact OD1-N 3.37Å; D403-L409 HydrophobicContact CB-CD2 3.98Å
404	H	86.2	Confident	94.5	Very high	182 Å²	182	75.1 Å²	75.1	84%	0.843	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.1	-178.5	62.8	-82.7	0	0	0	114.7
405	I	86.1	Confident	94.4	Very high	125 Å²	125	75.4 Å²	75.4	64%	0.641	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	8.1	171.9	61.5	170.3	0	0	0	112.5	D403 R407	D403-I405 PolarHBondContact O-N 2.86Å; D403-I405 WeakPolarHBondContact OD1-CA 3.44Å; D403-I405 WeakPolarHBondContact OD1-CG1 3.46Å; D403-I405 PolarHBondContact OD1-N 2.86Å; D403-I405 WeakPolarHBondContact OD2-CG1 3.24Å; I405-R407 VanDerWaalsContact C-N 3.35Å; I405-R407 HydrophobicContact CD1-CB 4.49Å; I405-R407 HydrophobicContact CG1-CB 4.19Å
406	G	81.5	Confident	94.5	Very high	41 Å²	41	74 Å²	74	42%	0.423	36%	0.364	S	S	.	.	S	Bend	trans	79.8	11.8	179.3	0	0	0	0	0	114.5	D403	D403-G406 PolarHBondContact O-N 2.6Å; D403-G406 PolarHBondContact OD1-N 3Å
407	R	90.6	Very high	94.5	Very high	84 Å²	84	68.2 Å²	68.2	32%	0.317	33%	0.326	S	S	.	.			trans	-87.8	145	175	-163.5	-177.5	-160	162.8	4.1	110	L402 D403 I405 H411 Y412	L402-R407 CarbonylContact C-O 3.53Å; L402-R407 VanDerWaalsContact CA-O 3.28Å; L402-R407 WeakPolarHBondContact CA-O 3.36Å; D403-R407 PolarHBondContact N-O 3.5Å; D403-R407 PolarHBondContact OD1-N 3.37Å; I405-R407 VanDerWaalsContact C-N 3.35Å; I405-R407 HydrophobicContact CD1-CB 4.49Å; I405-R407 HydrophobicContact CG1-CB 4.19Å; R407-H411 HydrophobicContact CG-CB 4.21Å; R407-H411 PolarHBondContact NE-CD2 2.87Å; R407-H411 PolarHBondContact NH2-CD2 2.85Å; R407-H411 PolarHBondContact NH2-NE2 3.42Å; R407-Y412 VanDerWaalsContact CZ-CE2 3.43Å; R407-Y412 VanDerWaalsContact NH1-CE2 3.26Å; R407-Y412 PolarHBondContact NH1-OH 2.98Å; R407-Y412 PolarHBondContact NH2-OH 2.92Å
408	R	93.9	Very high	94.5	Very high	6 Å²	6	63.9 Å²	63.9	2%	0.023	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-71.6	133.9	174.7	-132	173.1	97.5	135.7	16.8	110.6	F376 Y398 Q400 L402 D410 H411	F376-R408 VanDerWaalsContact CE1-NH1 3.31Å; F376-R408 HydrophobicContact CG-CG 4.47Å; Y398-R408 VanDerWaalsContact O-CZ 3.23Å; Y398-R408 PolarHBondContact O-NH1 3.15Å; Y398-R408 PolarHBondContact O-NH2 2.82Å; Q400-R408 HydrophobicContact CB-CG 4.19Å; Q400-R408 HydrophobicContact CG-CG 4.49Å; L402-R408 HydrophobicContact CD2-CB 4.16Å; L402-R408 HydrophobicContact CD2-CG 3.94Å; R408-D410 VanDerWaalsContact C-N 3.26Å; R408-D410 WeakPolarHBondContact CG-OD1 3.45Å; R408-D410 IonicContact CZ-OD1 3.99Å; R408-D410 IonicContact CZ-OD2 2.92Å; R408-D410 IonicContact NE-OD1 3.43Å; R408-D410 PolarHBondContact NE-OD1 3.08Å; R408-D410 IonicContact NE-OD2 3.62Å; R408-D410 IonicContact NH2-OD1 2.75Å; R408-D410 PolarHBondContact NH2-OD1 2.84Å; R408-D410 IonicContact NH2-OD2 2.84Å; R408-D410 PolarHBondContact NH2-OD2 2.93Å; R408-D410 PolarHBondContact O-N 2.85Å; R408-H411 WeakPolarHBondContact O-CB 3.27Å; R408-H411 PolarHBondContact O-N 3Å
409	L	95.1	Very high	94.5	Very high	110 Å²	110	65 Å²	65	58%	0.576	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-36.6	-174.7	-68.5	170	0	0	0	113.3	Q400 H401 D403 H411	Q400-L409 HydrophobicContact CG-CB 4.17Å; H401-L409 HydrophobicContact CB-CD1 4.08Å; H401-L409 PolarHBondContact O-N 3.39Å; D403-L409 HydrophobicContact CB-CD2 3.98Å; L409-H411 VanDerWaalsContact C-N 3.31Å; L409-H411 PolarHBondContact O-N 3.14Å
410	D	95.7	Very high	94.5	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	11.4	-179.7	58.9	-12.2	0	0	0	113.8	Q400 R408 Y412 E413 K414	Q400-D410 HydrophobicContact CG-CB 4.29Å; R408-D410 VanDerWaalsContact C-N 3.26Å; R408-D410 WeakPolarHBondContact CG-OD1 3.45Å; R408-D410 IonicContact CZ-OD1 3.99Å; R408-D410 IonicContact CZ-OD2 2.92Å; R408-D410 IonicContact NE-OD1 3.43Å; R408-D410 PolarHBondContact NE-OD1 3.08Å; R408-D410 IonicContact NE-OD2 3.62Å; R408-D410 IonicContact NH2-OD1 2.75Å; R408-D410 PolarHBondContact NH2-OD1 2.84Å; R408-D410 IonicContact NH2-OD2 2.84Å; R408-D410 PolarHBondContact NH2-OD2 2.93Å; R408-D410 PolarHBondContact O-N 2.85Å; D410-Y412 VanDerWaalsContact C-N 3.34Å; D410-Y412 PolarHBondContact O-N 3.32Å; D410-E413 HydrophobicContact CB-CB 4.3Å; D410-E413 WeakPolarHBondContact O-CB 3.09Å; D410-E413 PolarHBondContact O-N 2.66Å; D410-E413 VanDerWaalsContact O-N 3.08Å; D410-K414 HydrophobicContact CB-CD 4.29Å; D410-K414 PolarHBondContact O-N 3.41Å; D410-K414 WeakPolarHBondContact OD2-CD 3.05Å; D410-K414 WeakPolarHBondContact OD2-CE 3.44Å; D410-K414 IonicContact OD2-NZ 3.6Å; D410-K414 PolarHBondContact OD2-NZ 2.99Å
411	H	94.9	Very high	94.6	Very high	37 Å²	37	58.7 Å²	58.7	17%	0.171	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-42.2	-177.1	171.2	96.9	0	0	0	113.6	R407 R408 L409 L417 S418	R407-H411 HydrophobicContact CG-CB 4.21Å; R407-H411 PolarHBondContact NE-CD2 2.87Å; R407-H411 PolarHBondContact NH2-CD2 2.85Å; R407-H411 PolarHBondContact NH2-NE2 3.42Å; R408-H411 WeakPolarHBondContact O-CB 3.27Å; R408-H411 PolarHBondContact O-N 3Å; L409-H411 VanDerWaalsContact C-N 3.31Å; L409-H411 PolarHBondContact O-N 3.14Å; H411-L417 PolarHBondContact CE1-O 3.01Å; H411-L417 PolarHBondContact ND1-O 2.92Å; H411-L417 VanDerWaalsContact ND1-O 3.14Å; H411-S418 WeakPolarHBondContact O-CB 3.4Å; H411-S418 PolarHBondContact O-OG 2.93Å
412	Y	94.7	Very high	94.7	Very high	175 Å²	175	53.6 Å²	53.6	69%	0.686	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.4	178.2	-72.8	-66.1	0	0	0	113.8	R407 D410	R407-Y412 VanDerWaalsContact CZ-CE2 3.43Å; R407-Y412 VanDerWaalsContact NH1-CE2 3.26Å; R407-Y412 PolarHBondContact NH1-OH 2.98Å; R407-Y412 PolarHBondContact NH2-OH 2.92Å; D410-Y412 VanDerWaalsContact C-N 3.34Å; D410-Y412 PolarHBondContact O-N 3.32Å
413	E	96.8	Very high	94.8	Very high	154 Å²	154	52.4 Å²	52.4	72%	0.72	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-36.7	173.8	-173.4	-170.6	146.3	0	0	110.5	D410	D410-E413 HydrophobicContact CB-CB 4.3Å; D410-E413 WeakPolarHBondContact O-CB 3.09Å; D410-E413 PolarHBondContact O-N 2.66Å; D410-E413 VanDerWaalsContact O-N 3.08Å
414	K	98	Very high	95.2	Very high	48 Å²	48	50.2 Å²	50.2	21%	0.209	25%	0.245	C	C	.	.			trans	-98.4	115.1	-176	-82.2	170.2	-179.4	168.6	0	112.4	Y398 D410 E416 L417 S418	Y398-K414 HydrophobicContact CE2-CD 4.16Å; D410-K414 HydrophobicContact CB-CD 4.29Å; D410-K414 PolarHBondContact O-N 3.41Å; D410-K414 WeakPolarHBondContact OD2-CD 3.05Å; D410-K414 WeakPolarHBondContact OD2-CE 3.44Å; D410-K414 IonicContact OD2-NZ 3.6Å; D410-K414 PolarHBondContact OD2-NZ 2.99Å; K414-E416 VanDerWaalsContact C-N 3.27Å; K414-E416 WeakPolarHBondContact CB-OE1 3.42Å; K414-E416 WeakPolarHBondContact CB-OE2 3.45Å; K414-E416 WeakPolarHBondContact CD-OE1 3.46Å; K414-E416 WeakPolarHBondContact CG-OE1 3.13Å; K414-E416 PolarHBondContact O-N 2.69Å; K414-L417 HydrophobicContact CB-CB 4.17Å; K414-L417 HydrophobicContact CB-CD1 3.98Å; K414-L417 HydrophobicContact CB-CG 3.94Å; K414-L417 HydrophobicContact CD-CD1 4.1Å; K414-L417 PolarHBondContact O-N 2.98Å; K414-S418 PolarHBondContact O-N 3.06Å; K414-S418 PolarHBondContact O-OG 2.65Å
415	P	98.4	Very high	95.8	Very high	22 Å²	22	43.9 Å²	43.9	14%	0.143	22%	0.219	C	C	.	.	H	α-helix	trans	-66.1	-28.8	-177.8	28.3	-35.4	0	0	0	112.3	Y351 V353 L417 S418 L419	Y351-P415 HydrophobicContact CD2-CB 3.99Å; Y351-P415 HydrophobicContact CG-CB 4.09Å; Y351-P415 HydrophobicContact CG-CG 4.16Å; V353-P415 HydrophobicContact CG2-CG 3.62Å; P415-L417 PolarHBondContact O-N 2.92Å; P415-S418 PolarHBondContact O-N 2.86Å; P415-L419 HydrophobicContact CB-CD1 3.67Å; P415-L419 HydrophobicContact CB-CG 4.1Å; P415-L419 WeakPolarHBondContact O-CB 3.47Å; P415-L419 PolarHBondContact O-N 2.85Å
416	E	98.5	Very high	96.3	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-10.6	173.4	77.7	-72.9	180	0	0	113.9	V353 H355 M370 C371 Y398 K414 Y422 Y424	V353-E416 HydrophobicContact CG1-CG 4.32Å; V353-E416 HydrophobicContact CG2-CB 4.37Å; H355-E416 IonicContact NE2-OE1 3.33Å; M370-E416 HydrophobicContact CG-CG 4.23Å; C371-E416 CarbonylContact C-O 3.59Å; C371-E416 WeakPolarHBondContact CA-O 3.26Å; C371-E416 PolarHBondContact N-O 2.88Å; Y398-E416 WeakPolarHBondContact CE2-OE1 3.43Å; Y398-E416 PolarHBondContact OH-OE1 3.28Å; K414-E416 VanDerWaalsContact C-N 3.27Å; K414-E416 WeakPolarHBondContact CB-OE1 3.42Å; K414-E416 WeakPolarHBondContact CB-OE2 3.45Å; K414-E416 WeakPolarHBondContact CD-OE1 3.46Å; K414-E416 WeakPolarHBondContact CG-OE1 3.13Å; K414-E416 PolarHBondContact O-N 2.69Å; E416-Y422 HydrophobicContact CB-CD2 4.07Å; E416-Y422 HydrophobicContact CB-CE1 4.4Å; E416-Y422 HydrophobicContact CB-CE2 3.72Å; E416-Y424 HydrophobicContact CB-CE1 4.38Å; E416-Y424 WeakPolarHBondContact CB-OH 3.13Å; E416-Y424 HydrophobicContact CG-CE1 4.45Å
417	L	98.3	Very high	97.1	Very high	5 Å²	5	38 Å²	38	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-101.5	-23.4	174.3	-64.4	-174.6	0	0	0	113.3	M370 P372 F376 Y398 H411 K414 P415	M370-L417 HydrophobicContact CG-CD2 4.06Å; M370-L417 HydrophobicContact SD-CD2 3.76Å; P372-L417 WeakPolarHBondContact CA-O 3.46Å; P372-L417 WeakPolarHBondContact CB-O 3.48Å; F376-L417 HydrophobicContact CE2-CD2 3.82Å; F376-L417 HydrophobicContact CZ-CD2 3.98Å; Y398-L417 VanDerWaalsContact OH-CD2 3.31Å; Y398-L417 WeakPolarHBondContact OH-CD2 3.36Å; Y398-L417 WeakPolarHBondContact OH-CG 3.45Å; H411-L417 PolarHBondContact CE1-O 3.01Å; H411-L417 PolarHBondContact ND1-O 2.92Å; H411-L417 VanDerWaalsContact ND1-O 3.14Å; K414-L417 HydrophobicContact CB-CB 4.17Å; K414-L417 HydrophobicContact CB-CD1 3.98Å; K414-L417 HydrophobicContact CB-CG 3.94Å; K414-L417 HydrophobicContact CD-CD1 4.1Å; K414-L417 PolarHBondContact O-N 2.98Å; P415-L417 PolarHBondContact O-N 2.92Å
418	S	97.4	Very high	97.4	Very high	16 Å²	16	38.5 Å²	38.5	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-121.2	-18.3	-171.4	45.4	0	0	0	0	116.1	Q304 G305 H411 K414 P415	Q304-S418 CarbonylContact C-O 3.47Å; G305-S418 VanDerWaalsContact CA-O 3.25Å; G305-S418 WeakPolarHBondContact CA-O 3.25Å; G305-S418 PolarHBondContact N-O 2.87Å; H411-S418 WeakPolarHBondContact O-CB 3.4Å; H411-S418 PolarHBondContact O-OG 2.93Å; K414-S418 PolarHBondContact O-N 3.06Å; K414-S418 PolarHBondContact O-OG 2.65Å; P415-S418 PolarHBondContact O-N 2.86Å
419	L	98.7	Very high	97.5	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.141	22%	0.216	C	C	.	.			trans	-109.5	150.3	-178.3	-54.1	-177.3	0	0	0	111.9	D303 Y351 P372 P415 Y422	D303-L419 HydrophobicContact CB-CD2 4.35Å; Y351-L419 HydrophobicContact CD2-CD1 3.57Å; Y351-L419 HydrophobicContact CE2-CD1 3.75Å; P372-L419 WeakPolarHBondContact CD-O 3.42Å; P372-L419 WeakPolarHBondContact CG-O 3.33Å; P415-L419 HydrophobicContact CB-CD1 3.67Å; P415-L419 HydrophobicContact CB-CG 4.1Å; P415-L419 WeakPolarHBondContact O-CB 3.47Å; P415-L419 PolarHBondContact O-N 2.85Å; L419-Y422 HydrophobicContact CB-CD1 4.47Å; L419-Y422 VanDerWaalsContact O-CE1 3.29Å; L419-Y422 WeakPolarHBondContact O-CE1 3.31Å
420	G	98.6	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-74.1	-33.6	172.5	0	0	0	0	0	112.9	D303 G305 H763 N764	D303-G420 VanDerWaalsContact CG-N 3.31Å; D303-G420 PolarHBondContact OD1-N 3.37Å; D303-G420 WeakPolarHBondContact OD2-CA 3.18Å; D303-G420 PolarHBondContact OD2-N 3.34Å; G305-G420 WeakPolarHBondContact O-CA 3.43Å; G420-H763 CarbonylContact O-C 3.54Å; G420-H763 WeakPolarHBondContact O-CA 3.44Å; G420-N764 PolarHBondContact O-N 3.49Å; G420-N764 PolarHBondContact O-ND2 3.48Å
421	S	98.9	Very high	97.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.3	-176.1	-44.5	0	0	0	0	113.4	D303 A307 F311 I762 H763	D303-S421 PolarHBondContact OD2-N 3.08Å; D303-S421 PolarHBondContact OD2-OG 2.62Å; A307-S421 WeakPolarHBondContact CA-OG 3.31Å; A307-S421 WeakPolarHBondContact CB-OG 3.26Å; F311-S421 WeakPolarHBondContact CD2-OG 3.48Å; S421-I762 WeakPolarHBondContact CA-O 3.2Å; S421-H763 PolarHBondContact OG-ND1 2.97Å
422	Y	98.9	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	172.7	178.6	47.8	-88.7	0	0	0	110.1	V353 M370 C371 E416 L419 Y424 I762 N764	V353-Y422 HydrophobicContact CG2-CD2 4.46Å; M370-Y422 PolarHBondContact O-OH 2.86Å; C371-Y422 VanDerWaalsContact CA-OH 3.29Å; C371-Y422 WeakPolarHBondContact CA-OH 3.49Å; C371-Y422 VanDerWaalsContact CB-OH 3.29Å; C371-Y422 WeakPolarHBondContact CB-OH 3.4Å; E416-Y422 HydrophobicContact CB-CD2 4.07Å; E416-Y422 HydrophobicContact CB-CE1 4.4Å; E416-Y422 HydrophobicContact CB-CE2 3.72Å; L419-Y422 HydrophobicContact CB-CD1 4.47Å; L419-Y422 VanDerWaalsContact O-CE1 3.29Å; L419-Y422 WeakPolarHBondContact O-CE1 3.31Å; Y422-Y424 HydrophobicContact CD2-CE2 4.27Å; Y422-Y424 HydrophobicContact CE2-CD2 4.17Å; Y422-Y424 AromaticContact CE2-CE2 3.57Å; Y422-Y424 HydrophobicContact CE2-CE2 3.57Å; Y422-Y424 AromaticContact CE2-CZ 3.91Å; Y422-I762 HydrophobicContact CD2-CB 4.24Å; Y422-I762 HydrophobicContact CD2-CG1 4.32Å; Y422-I762 HydrophobicContact CE2-CB 3.81Å; Y422-I762 HydrophobicContact CE2-CG1 3.87Å; Y422-I762 HydrophobicContact CE2-CG2 4.18Å; Y422-I762 PolarHBondContact N-O 2.94Å; Y422-I762 PolarHBondContact O-N 3.28Å; Y422-N764 VanDerWaalsContact CE1-ND2 3.32Å; Y422-N764 WeakPolarHBondContact CE1-ND2 3.28Å; Y422-N764 PolarHBondContact OH-ND2 2.9Å
423	E	98.8	Very high	97.3	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	150.6	172.3	-56.2	-161.2	147.4	0	0	111.4	L350 Y351 L352 V353 Y751 R759 L760 R761	L350-E423 HydrophobicContact CB-CG 4.47Å; L350-E423 HydrophobicContact CD1-CG 4.09Å; Y351-E423 PolarHBondContact O-N 3.47Å; L352-E423 HydrophobicContact CD1-CB 3.82Å; V353-E423 WeakPolarHBondContact CB-O 3.45Å; V353-E423 PolarHBondContact N-O 2.94Å; E423-Y751 PolarHBondContact OE1-OH 2.79Å; E423-Y751 PolarHBondContact OE2-OH 2.84Å; E423-R759 IonicContact OE2-NH1 2.69Å; E423-L760 CarbonylContact C-O 3.59Å; E423-L760 VanDerWaalsContact CA-O 3.29Å; E423-L760 WeakPolarHBondContact CA-O 3.3Å; E423-R761 HydrophobicContact CG-CB 4.27Å; E423-R761 HydrophobicContact CG-CG 4.33Å; E423-R761 IonicContact OE1-CZ 3.4Å; E423-R761 IonicContact OE1-NE 3.65Å; E423-R761 PolarHBondContact OE1-NE 3.44Å; E423-R761 IonicContact OE1-NH2 2.89Å; E423-R761 PolarHBondContact OE1-NH2 3.09Å
424	Y	98.8	Very high	97.2	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.8	164.8	-75.1	-71.8	0	0	0	110.8	V353 H355 P360 Y369 M370 E416 Y422 R759 L760 I762	V353-Y424 HydrophobicContact CB-CD1 3.69Å; V353-Y424 HydrophobicContact CB-CE1 3.91Å; V353-Y424 HydrophobicContact CG1-CD1 3.77Å; V353-Y424 HydrophobicContact CG1-CE1 3.59Å; V353-Y424 CarbonylContact O-C 3.5Å; V353-Y424 WeakPolarHBondContact O-CA 3.35Å; H355-Y424 AromaticContact CE1-CE1 3.8Å; H355-Y424 AromaticContact NE2-CE1 3.72Å; P360-Y424 HydrophobicContact CB-CD1 3.71Å; P360-Y424 HydrophobicContact CB-CD2 3.79Å; P360-Y424 HydrophobicContact CB-CE1 3.91Å; P360-Y424 HydrophobicContact CB-CE2 3.98Å; P360-Y424 HydrophobicContact CB-CG 3.65Å; P360-Y424 HydrophobicContact CG-CG 4.47Å; Y369-Y424 HydrophobicContact CD1-CE2 4.5Å; M370-Y424 WeakPolarHBondContact CB-OH 3.28Å; M370-Y424 PolarHBondContact O-OH 2.98Å; E416-Y424 HydrophobicContact CB-CE1 4.38Å; E416-Y424 WeakPolarHBondContact CB-OH 3.13Å; E416-Y424 HydrophobicContact CG-CE1 4.45Å; Y422-Y424 HydrophobicContact CD2-CE2 4.27Å; Y422-Y424 HydrophobicContact CE2-CD2 4.17Å; Y422-Y424 AromaticContact CE2-CE2 3.57Å; Y422-Y424 HydrophobicContact CE2-CE2 3.57Å; Y422-Y424 AromaticContact CE2-CZ 3.91Å; Y424-R759 WeakPolarHBondContact O-CA 3.43Å; Y424-L760 PolarHBondContact N-O 3.34Å; Y424-L760 PolarHBondContact O-N 3.4Å; Y424-I762 HydrophobicContact CD2-CD1 4.26Å; Y424-I762 HydrophobicContact CD2-CG1 3.75Å; Y424-I762 HydrophobicContact CE2-CG1 4.01Å
425	V	98.5	Very high	97	Very high	49 Å²	49	43.8 Å²	43.8	30%	0.297	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	130.6	156.5	179.6	0	0	0	0	108.5	L352 V353 N354	L352-V425 HydrophobicContact CD1-CG2 3.9Å; L352-V425 HydrophobicContact CD2-CG2 4.17Å; L352-V425 HydrophobicContact CG-CG2 3.98Å; V353-V425 PolarHBondContact O-N 3.39Å; N354-V425 HydrophobicContact CB-CB 4.32Å; N354-V425 HydrophobicContact CB-CG2 3.88Å
426	A	97.8	Very high	96.8	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-100.5	133.8	178.6	0	0	0	0	0	111	Y430 L750 R758 L760	A426-Y430 HydrophobicContact CB-CD2 4.31Å; A426-Y430 HydrophobicContact CB-CG 4.09Å; A426-L750 HydrophobicContact CB-CD1 4.1Å; A426-R758 HydrophobicContact CB-CB 4.12Å; A426-R758 HydrophobicContact CB-CG 4Å; A426-R758 WeakPolarHBondContact CB-O 3.21Å; A426-R758 PolarHBondContact N-O 3.27Å; A426-R758 VanDerWaalsContact N-O 3.13Å; A426-L760 HydrophobicContact CB-CD1 4.06Å; A426-L760 HydrophobicContact CB-CG 4.23Å
427	T	97.3	Very high	96.8	Very high	29 Å²	29	48.5 Å²	48.5	18%	0.178	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-77.2	171.1	179.4	36.5	0	0	0	0	112.6	D429 Y430 C431	T427-D429 WeakPolarHBondContact CB-OD1 3.32Å; T427-D429 PolarHBondContact O-N 2.93Å; T427-D429 VanDerWaalsContact O-N 3.14Å; T427-D429 PolarHBondContact OG1-OD1 2.61Å; T427-Y430 WeakPolarHBondContact O-CB 3.41Å; T427-Y430 PolarHBondContact O-N 3.07Å; T427-Y430 WeakPolarHBondContact OG1-CD2 3.38Å; T427-Y430 WeakPolarHBondContact OG1-CE2 3.4Å; T427-C431 PolarHBondContact O-SG 2.76Å
428	L	96.8	Very high	96.7	Very high	95 Å²	95	51.6 Å²	51.6	50%	0.497	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-59.9	-26.3	-173.3	-67.8	178	0	0	0	114.1	Y430 C431 N434 P436	L428-Y430 PolarHBondContact O-N 3.41Å; L428-C431 WeakPolarHBondContact O-CB 3.3Å; L428-C431 PolarHBondContact O-N 2.87Å; L428-N434 WeakPolarHBondContact O-CA 3.43Å; L428-P436 HydrophobicContact CD2-CG 3.9Å
429	D	95.9	Very high	96.8	Very high	107 Å²	107	52.5 Å²	52.5	57%	0.572	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.4	174.1	64.2	-51.2	0	0	0	113.9	T427	T427-D429 WeakPolarHBondContact CB-OD1 3.32Å; T427-D429 PolarHBondContact O-N 2.93Å; T427-D429 VanDerWaalsContact O-N 3.14Å; T427-D429 PolarHBondContact OG1-OD1 2.61Å
430	Y	96.5	Very high	96.8	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.11	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-91.2	0.6	170.7	-62.9	-95.8	0	0	0	113	P360 R362 Y369 A426 T427 L428 L750 R758 L760	P360-Y430 HydrophobicContact CG-CE2 4.37Å; R362-Y430 WeakPolarHBondContact CD-OH 3.49Å; R362-Y430 PolarHBondContact NH1-OH 2.67Å; Y369-Y430 HydrophobicContact CE1-CE1 4.34Å; A426-Y430 HydrophobicContact CB-CD2 4.31Å; A426-Y430 HydrophobicContact CB-CG 4.09Å; T427-Y430 WeakPolarHBondContact O-CB 3.41Å; T427-Y430 PolarHBondContact O-N 3.07Å; T427-Y430 WeakPolarHBondContact OG1-CD2 3.38Å; T427-Y430 WeakPolarHBondContact OG1-CE2 3.4Å; L428-Y430 PolarHBondContact O-N 3.41Å; Y430-L750 HydrophobicContact CD1-CD1 4.12Å; Y430-L750 HydrophobicContact CD1-CD2 4.26Å; Y430-L750 HydrophobicContact CG-CD1 4.35Å; Y430-R758 PolarHBondContact O-NE 3.02Å; Y430-L760 HydrophobicContact CD1-CD1 3.88Å; Y430-L760 HydrophobicContact CE1-CD1 3.72Å; Y430-L760 HydrophobicContact CG-CD1 4.44Å
431	C	96.2	Very high	96.8	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.074	26%	0.264	C	S	.	.	S	Bend	trans	-105.5	143.6	-176.4	-54	0	0	0	0	111.2	T427 L428 K433 N434 K435 R758	T427-C431 PolarHBondContact O-SG 2.76Å; L428-C431 WeakPolarHBondContact O-CB 3.3Å; L428-C431 PolarHBondContact O-N 2.87Å; C431-K433 PolarHBondContact O-N 2.96Å; C431-N434 PolarHBondContact O-N 3.2Å; C431-N434 VanDerWaalsContact O-N 3.1Å; C431-K435 WeakPolarHBondContact CB-O 3.46Å; C431-R758 WeakPolarHBondContact SG-CB 3.43Å
432	R	89.7	Confident	96.8	Very high	112 Å²	112	51.1 Å²	51.1	42%	0.423	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-56	135.9	176.5	-71.4	176.4	170.7	-116.1	8.1	110.1	N434 K435 A627 D688	R432-N434 PolarHBondContact O-N 3.49Å; R432-N434 VanDerWaalsContact O-N 3.1Å; R432-K435 PolarHBondContact O-N 2.83Å; R432-A627 PolarHBondContact NH1-O 3.2Å; R432-A627 PolarHBondContact NH2-O 3.33Å; R432-D688 VanDerWaalsContact CD-OD2 3.32Å; R432-D688 WeakPolarHBondContact CD-OD2 3.44Å; R432-D688 IonicContact CZ-OD1 3.59Å; R432-D688 IonicContact CZ-OD2 3.95Å; R432-D688 IonicContact NE-OD1 3.47Å; R432-D688 PolarHBondContact NE-OD1 3.1Å; R432-D688 IonicContact NE-OD2 2.63Å; R432-D688 PolarHBondContact NE-OD2 3.39Å; R432-D688 IonicContact NH2-OD1 2.68Å; R432-D688 PolarHBondContact NH2-OD1 3.1Å
433	K	94.1	Very high	96.8	Very high	138 Å²	138	51.1 Å²	51.1	60%	0.6	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	58.3	17.5	-179.4	-42.9	174.6	-164.9	172.8	0	114.4	C431 K435 D572	C431-K433 PolarHBondContact O-N 2.96Å; K433-K435 VanDerWaalsContact C-N 3.27Å; K433-K435 PolarHBondContact O-N 2.95Å; K433-D572 IonicContact NZ-OD1 3.33Å; K433-D572 PolarHBondContact NZ-OD1 3.28Å; K433-D572 IonicContact NZ-OD2 3.33Å; K433-D572 PolarHBondContact NZ-OD2 3.38Å
434	N	94.6	Very high	96.8	Very high	111 Å²	111	50.6 Å²	50.6	59%	0.594	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	55.5	34.3	-173.2	-58.6	-9.1	0	0	0	114.4	L428 C431 R432	L428-N434 WeakPolarHBondContact O-CA 3.43Å; C431-N434 PolarHBondContact O-N 3.2Å; C431-N434 VanDerWaalsContact O-N 3.1Å; R432-N434 PolarHBondContact O-N 3.49Å; R432-N434 VanDerWaalsContact O-N 3.1Å
435	K	94.3	Very high	96.8	Very high	139 Å²	139	50.6 Å²	50.6	60%	0.604	26%	0.26	S	S	*	.	S	Bend	trans	-125.8	152.1	178.3	-67.4	-177.2	179.9	-174.4	0	110.9	C431 R432 K433	C431-K435 WeakPolarHBondContact CB-O 3.46Å; R432-K435 PolarHBondContact O-N 2.83Å; K433-K435 VanDerWaalsContact C-N 3.27Å; K433-K435 PolarHBondContact O-N 2.95Å
436	P	95.2	Very high	96.8	Very high	96 Å²	96	48.4 Å²	48.4	62%	0.623	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-53	133.5	168.3	-22.3	33.2	0	0	0	110.4	L428	L428-P436 HydrophobicContact CD2-CG 3.9Å
437	P	96.8	Very high	96.8	Very high	29 Å²	29	47.8 Å²	47.8	19%	0.188	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-75.2	146.7	178.2	30.4	-31.5	0	0	0	110.8	T752 G756	P437-T752 HydrophobicContact CB-CG2 4Å; P437-T752 HydrophobicContact CG-CG2 3.68Å; P437-G756 WeakPolarHBondContact CD-O 3.34Å; P437-G756 WeakPolarHBondContact CG-O 3.5Å; P437-G756 VanDerWaalsContact O-O 3.05Å
438	N	97.8	Very high	96.9	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-68.6	151.8	171.3	-69.3	-51.3	0	0	0	110.9	D572 C573 P574	N438-D572 PolarHBondContact ND2-O 3.13Å; N438-C573 HydrophobicContact CB-CB 3.74Å; N438-P574 WeakPolarHBondContact O-CD 3.47Å
439	P	98	Very high	97	Very high	35 Å²	35	41.9 Å²	41.9	23%	0.227	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-61.7	150	170.9	28.2	-35.7	0	0	0	110.8	A482 C573	P439-A482 HydrophobicContact CB-CB 3.76Å; P439-A482 HydrophobicContact CG-CB 4.12Å; P439-C573 WeakPolarHBondContact O-CB 3.32Å
440	P	98.6	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-68.6	165.6	-175.7	28.5	-34.6	0	0	0	112.8	I483 R484 P574 F687 I754	P440-I483 HydrophobicContact CG-CG1 4.32Å; P440-I483 WeakPolarHBondContact O-CA 3.3Å; P440-R484 PolarHBondContact O-N 3.24Å; P440-P574 WeakPolarHBondContact CA-O 3.32Å; P440-P574 HydrophobicContact CB-CG 4.17Å; P440-F687 HydrophobicContact CB-CD1 4.34Å; P440-F687 HydrophobicContact CB-CD2 3.84Å; P440-F687 HydrophobicContact CB-CE1 4.43Å; P440-F687 HydrophobicContact CB-CE2 3.93Å; P440-F687 HydrophobicContact CB-CG 4.06Å; P440-F687 HydrophobicContact CB-CZ 4.23Å; P440-F687 HydrophobicContact CG-CD2 3.71Å; P440-F687 HydrophobicContact CG-CE2 3.77Å; P440-F687 HydrophobicContact CG-CG 4.38Å; P440-I754 WeakPolarHBondContact CD-O 3.37Å
441	A	98.7	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.1	169	0	0	0	0	0	112.7	R484 L526 L568 P574 G575 K576	A441-R484 CarbonylContact C-O 3.58Å; A441-R484 WeakPolarHBondContact CA-O 3.35Å; A441-R484 HydrophobicContact CB-CB 4Å; A441-R484 WeakPolarHBondContact CB-O 3.45Å; A441-L526 HydrophobicContact CB-CD1 3.81Å; A441-L526 HydrophobicContact CB-CD2 4.11Å; A441-L526 HydrophobicContact CB-CG 4.43Å; A441-L568 HydrophobicContact CB-CD2 3.8Å; A441-P574 PolarHBondContact N-O 2.65Å; A441-P574 VanDerWaalsContact N-O 3.14Å; A441-G575 CarbonylContact O-C 3.54Å; A441-G575 WeakPolarHBondContact O-CA 3.32Å; A441-K576 PolarHBondContact O-N 3.43Å
442	F	98.9	Very high	97.2	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.3	174.6	-71.9	7.5	0	0	0	109.2	F444 L472 I483 R484 V485 G486 K576 F578 I681 F687	F442-F444 HydrophobicContact CB-CE2 4.07Å; F442-F444 HydrophobicContact CB-CZ 4.18Å; F442-F444 HydrophobicContact CD2-CZ 4.41Å; F442-L472 HydrophobicContact CD2-CD2 3.54Å; F442-L472 HydrophobicContact CE2-CD2 3.86Å; F442-L472 HydrophobicContact CG-CD2 4.45Å; F442-I483 HydrophobicContact CB-CG2 4.32Å; F442-I483 HydrophobicContact CD1-CG2 3.7Å; F442-I483 HydrophobicContact CD2-CG2 4.29Å; F442-I483 HydrophobicContact CE1-CD1 4.07Å; F442-I483 HydrophobicContact CE1-CG2 4.02Å; F442-I483 HydrophobicContact CE2-CD1 4.37Å; F442-I483 HydrophobicContact CG-CG2 3.83Å; F442-I483 HydrophobicContact CZ-CD1 3.86Å; F442-I483 HydrophobicContact CZ-CG2 4.47Å; F442-R484 PolarHBondContact N-O 2.83Å; F442-V485 WeakPolarHBondContact O-CA 3.4Å; F442-G486 PolarHBondContact O-N 2.92Å; F442-G486 VanDerWaalsContact O-N 3.08Å; F442-K576 WeakPolarHBondContact CA-O 3.35Å; F442-K576 HydrophobicContact CD1-CB 3.9Å; F442-K576 HydrophobicContact CE1-CB 4.08Å; F442-F578 HydrophobicContact CB-CD2 4.26Å; F442-F578 HydrophobicContact CB-CE2 3.95Å; F442-F578 HydrophobicContact CD1-CE2 4.12Å; F442-F578 HydrophobicContact CD2-CD2 4.5Å; F442-F578 AromaticContact CD2-CE2 3.5Å; F442-F578 HydrophobicContact CD2-CE2 3.5Å; F442-F578 AromaticContact CD2-CZ 3.91Å; F442-F578 HydrophobicContact CD2-CZ 3.91Å; F442-F578 AromaticContact CE2-CE2 3.97Å; F442-F578 HydrophobicContact CE2-CE2 3.97Å; F442-F578 AromaticContact CE2-CZ 3.97Å; F442-F578 HydrophobicContact CE2-CZ 3.97Å; F442-F578 HydrophobicContact CG-CD2 4.39Å; F442-F578 AromaticContact CG-CE2 3.6Å; F442-F578 HydrophobicContact CG-CE2 3.6Å; F442-F578 HydrophobicContact CG-CZ 4.42Å; F442-F578 HydrophobicContact CZ-CE2 4.47Å; F442-I681 HydrophobicContact CE2-CG2 4.39Å; F442-F687 HydrophobicContact CE1-CE2 4.34Å; F442-F687 AromaticContact CE1-CZ 3.88Å; F442-F687 HydrophobicContact CE1-CZ 3.88Å
443	I	98.9	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	115.2	-179.7	-55.3	177.4	0	0	0	108.9	M445 G486 I488 F525 L526 A567 L568 K576 L577 F578	I443-M445 HydrophobicContact CG2-CG 3.75Å; I443-M445 HydrophobicContact CG2-SD 4.04Å; I443-G486 WeakPolarHBondContact CA-O 3.22Å; I443-I488 HydrophobicContact CG2-CD1 4.4Å; I443-F525 HydrophobicContact CD1-CE1 3.98Å; I443-F525 HydrophobicContact CD1-CZ 4.43Å; I443-F525 HydrophobicContact CG1-CE1 4.43Å; I443-F525 HydrophobicContact CG2-CE1 4.44Å; I443-F525 HydrophobicContact CG2-CZ 3.86Å; I443-L526 HydrophobicContact CD1-CD2 4.16Å; I443-L526 HydrophobicContact CG1-CD2 3.9Å; I443-A567 HydrophobicContact CD1-CB 4.12Å; I443-L568 HydrophobicContact CD1-CD1 4.46Å; I443-L568 HydrophobicContact CD1-CD2 3.92Å; I443-L568 HydrophobicContact CD1-CG 3.82Å; I443-L568 HydrophobicContact CG1-CD2 4.4Å; I443-K576 PolarHBondContact N-O 3.14Å; I443-L577 HydrophobicContact CB-CD2 3.93Å; I443-L577 HydrophobicContact CD1-CD2 3.88Å; I443-L577 HydrophobicContact CG1-CD2 4.23Å; I443-F578 PolarHBondContact O-N 3.37Å
444	F	98.9	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.1	178.8	-60.4	-81.9	0	0	0	109.7	F442 L465 L469 V485 G486 F487 I488 F578 F580 I681	F442-F444 HydrophobicContact CB-CE2 4.07Å; F442-F444 HydrophobicContact CB-CZ 4.18Å; F442-F444 HydrophobicContact CD2-CZ 4.41Å; F444-L465 HydrophobicContact CB-CD1 4.39Å; F444-L465 HydrophobicContact CD1-CD1 4.17Å; F444-L465 HydrophobicContact CD1-CD2 3.85Å; F444-L465 HydrophobicContact CE1-CD2 3.71Å; F444-L465 HydrophobicContact CG-CD1 4.26Å; F444-L465 HydrophobicContact CG-CD2 4.5Å; F444-L465 HydrophobicContact CZ-CD2 4.26Å; F444-L469 HydrophobicContact CE2-CD2 3.74Å; F444-L469 HydrophobicContact CZ-CD2 4.12Å; F444-V485 HydrophobicContact CE2-CB 4.46Å; F444-V485 HydrophobicContact CE2-CG1 4.15Å; F444-G486 PolarHBondContact N-O 3.04Å; F444-F487 HydrophobicContact CB-CD1 4.04Å; F444-F487 HydrophobicContact CB-CE1 4.29Å; F444-F487 HydrophobicContact CD2-CD1 4.27Å; F444-F487 AromaticContact CD2-CE1 3.8Å; F444-F487 HydrophobicContact CD2-CE1 3.8Å; F444-F487 HydrophobicContact CD2-CZ 4.32Å; F444-F487 HydrophobicContact CG-CE1 4.32Å; F444-I488 PolarHBondContact O-N 3.39Å; F444-F578 HydrophobicContact CD1-CB 3.68Å; F444-F578 HydrophobicContact CD1-CD2 4.32Å; F444-F578 HydrophobicContact CD1-CG 4.02Å; F444-F578 HydrophobicContact CE1-CB 4.02Å; F444-F578 HydrophobicContact CE1-CD1 4.23Å; F444-F578 AromaticContact CE1-CD2 3.94Å; F444-F578 HydrophobicContact CE1-CD2 3.94Å; F444-F578 HydrophobicContact CE1-CE2 4.45Å; F444-F578 AromaticContact CE1-CG 3.82Å; F444-F578 HydrophobicContact CE1-CG 3.82Å; F444-F578 HydrophobicContact CZ-CD2 4.39Å; F444-F580 HydrophobicContact CD1-CE2 4.32Å; F444-I681 HydrophobicContact CE1-CD1 3.79Å; F444-I681 HydrophobicContact CZ-CD1 4.02Å
445	M	98.9	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	107.5	-171.3	-58.6	-155.4	-84.5	0	0	111	I443 I488 Y490 V560 L577 F578 I579 F580	I443-M445 HydrophobicContact CG2-CG 3.75Å; I443-M445 HydrophobicContact CG2-SD 4.04Å; M445-I488 VanDerWaalsContact CA-O 3.3Å; M445-I488 WeakPolarHBondContact CA-O 3.26Å; M445-I488 HydrophobicContact CG-CB 4.06Å; M445-I488 HydrophobicContact CG-CD1 4.48Å; M445-I488 HydrophobicContact SD-CB 4.3Å; M445-I488 HydrophobicContact SD-CD1 3.8Å; M445-I488 HydrophobicContact SD-CG1 4.44Å; M445-Y490 HydrophobicContact CB-CE1 4.37Å; M445-V560 HydrophobicContact CB-CG1 3.93Å; M445-V560 HydrophobicContact CE-CG1 3.88Å; M445-V560 WeakPolarHBondContact CE-O 3.3Å; M445-V560 HydrophobicContact CG-CG1 4.37Å; M445-V560 HydrophobicContact SD-CG1 3.55Å; M445-V560 VanDerWaalsContact SD-CG1 3.55Å; M445-L577 HydrophobicContact CE-CB 3.76Å; M445-L577 HydrophobicContact CE-CD1 3.64Å; M445-L577 HydrophobicContact CE-CD2 4.05Å; M445-L577 HydrophobicContact CE-CG 4Å; M445-F578 PolarHBondContact N-O 2.89Å; M445-I579 HydrophobicContact CB-CG1 4.3Å; M445-I579 HydrophobicContact CE-CD1 4.02Å; M445-I579 HydrophobicContact CE-CG1 3.87Å; M445-I579 WeakPolarHBondContact O-CA 3.13Å; M445-F580 PolarHBondContact O-N 3.46Å
446	I	98.9	Very high	98.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.3	-167.4	-52.3	172.8	0	0	0	110.8	V448 V458 I461 I488 T489 Y490 F580	I446-V448 HydrophobicContact CG2-CG1 4.1Å; I446-V448 PolarHBondContact O-N 3.01Å; I446-V458 HydrophobicContact CG2-CG1 4.47Å; I446-V458 HydrophobicContact CG2-CG2 4.18Å; I446-I461 HydrophobicContact CD1-CB 4.48Å; I446-I461 HydrophobicContact CD1-CG2 3.64Å; I446-I461 HydrophobicContact CG1-CG2 4.11Å; I446-I461 HydrophobicContact CG2-CD1 4.13Å; I446-I488 PolarHBondContact N-O 3.47Å; I446-T489 HydrophobicContact CB-CG2 4.36Å; I446-T489 CarbonylContact O-C 3.55Å; I446-T489 VanDerWaalsContact O-CA 3.31Å; I446-T489 WeakPolarHBondContact O-CA 3.3Å; I446-Y490 WeakPolarHBondContact O-CD1 3.48Å; I446-Y490 PolarHBondContact O-N 2.87Å; I446-F580 HydrophobicContact CG1-CD2 3.96Å; I446-F580 HydrophobicContact CG1-CE2 4.47Å
447	D	98.8	Very high	98.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	110.6	166.5	-178.6	-22.3	0	0	0	110	S449 N452 Y490 F580 H581 S582	D447-S449 WeakPolarHBondContact OD1-CB 3.33Å; D447-S449 PolarHBondContact OD1-N 3.49Å; D447-S449 PolarHBondContact OD1-OG 3.44Å; D447-N452 VanDerWaalsContact O-CB 3.26Å; D447-N452 WeakPolarHBondContact O-CB 3.32Å; D447-N452 PolarHBondContact O-ND2 2.77Å; D447-N452 VanDerWaalsContact O-ND2 3.08Å; D447-Y490 WeakPolarHBondContact CA-O 3.37Å; D447-Y490 HydrophobicContact CB-CE1 4.18Å; D447-Y490 HydrophobicContact CB-CE2 3.92Å; D447-F580 WeakPolarHBondContact CB-O 3.34Å; D447-F580 PolarHBondContact N-O 3.21Å; D447-H581 IonicContact OD2-CE1 2.72Å; D447-H581 IonicContact OD2-CG 3.16Å; D447-H581 IonicContact OD2-ND1 2.81Å; D447-H581 PolarHBondContact OD2-ND1 2.67Å; D447-S582 PolarHBondContact OD2-N 3.15Å; D447-S582 VanDerWaalsContact OD2-N 3.14Å
448	V	98.8	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.			trans	-106.8	29	179.4	-63.1	0	0	0	0	112.1	I446 V458 T489 Y490 F547 S550	I446-V448 HydrophobicContact CG2-CG1 4.1Å; I446-V448 PolarHBondContact O-N 3.01Å; V448-V458 HydrophobicContact CB-CG2 4.49Å; V448-V458 HydrophobicContact CG1-CG1 4.04Å; V448-V458 HydrophobicContact CG1-CG2 3.97Å; V448-T489 HydrophobicContact CG1-CG2 3.82Å; V448-Y490 WeakPolarHBondContact CG2-O 3.42Å; V448-Y490 PolarHBondContact N-O 3.46Å; V448-F547 HydrophobicContact CB-CB 4.08Å; V448-F547 HydrophobicContact CB-CD1 4.18Å; V448-F547 HydrophobicContact CB-CD2 4.08Å; V448-F547 HydrophobicContact CB-CG 3.85Å; V448-F547 HydrophobicContact CG1-CD2 4.02Å; V448-F547 HydrophobicContact CG1-CE2 4.46Å; V448-F547 HydrophobicContact CG1-CG 4.29Å; V448-F547 HydrophobicContact CG2-CD1 3.67Å; V448-F547 HydrophobicContact CG2-CD2 4.01Å; V448-F547 HydrophobicContact CG2-CE1 3.76Å; V448-F547 HydrophobicContact CG2-CE2 4.11Å; V448-F547 HydrophobicContact CG2-CG 3.81Å; V448-F547 HydrophobicContact CG2-CZ 3.98Å; V448-S550 PolarHBondContact O-OG 2.69Å; V448-S550 VanDerWaalsContact O-OG 3.06Å
449	S	98.3	Very high	98.4	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-65.9	161.8	165.6	67.5	0	0	0	0	111.9	D447 S451 N452 I453 E552	D447-S449 WeakPolarHBondContact OD1-CB 3.33Å; D447-S449 PolarHBondContact OD1-N 3.49Å; D447-S449 PolarHBondContact OD1-OG 3.44Å; S449-S451 PolarHBondContact O-N 3Å; S449-N452 PolarHBondContact O-N 3.14Å; S449-I453 PolarHBondContact O-N 2.91Å; S449-E552 WeakPolarHBondContact CA-O 3.02Å; S449-E552 WeakPolarHBondContact CB-O 3.49Å
450	Y	98.3	Very high	98.4	Very high	81 Å²	81	22.9 Å²	22.9	32%	0.318	12%	0.115	S	C	.	.	H	α-helix	trans	-46.9	-35.2	178.4	175.8	-109.7	0	0	0	113.4	N452 K454 S550 E552	Y450-N452 PolarHBondContact O-N 2.96Å; Y450-K454 HydrophobicContact CE1-CD 3.8Å; Y450-K454 HydrophobicContact CE2-CB 4.48Å; Y450-K454 HydrophobicContact CE2-CD 4.48Å; Y450-K454 WeakPolarHBondContact O-CB 3.15Å; Y450-K454 PolarHBondContact O-N 2.87Å; Y450-K454 WeakPolarHBondContact OH-CE 3.45Å; Y450-K454 PolarHBondContact OH-NZ 2.9Å; Y450-S550 WeakPolarHBondContact CB-O 3.38Å; Y450-E552 WeakPolarHBondContact CB-O 3.36Å; Y450-E552 PolarHBondContact N-O 3.45Å
451	S	97.4	Very high	98.4	Very high	35 Å²	35	22.9 Å²	22.9	25%	0.245	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-47.6	179.5	-57.5	0	0	0	0	112.9	S449 N455 S582	S449-S451 PolarHBondContact O-N 3Å; S451-N455 PolarHBondContact O-N 2.85Å; S451-N455 PolarHBondContact O-ND2 2.88Å; S451-N455 PolarHBondContact O-OD1 2.85Å; S451-S582 WeakPolarHBondContact CB-OG 3.4Å
452	N	98.3	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-87.2	-18.8	-175.4	-81.4	-13.6	0	0	0	114	D447 S449 Y450 N455 L457 V458 S582	D447-N452 VanDerWaalsContact O-CB 3.26Å; D447-N452 WeakPolarHBondContact O-CB 3.32Å; D447-N452 PolarHBondContact O-ND2 2.77Å; D447-N452 VanDerWaalsContact O-ND2 3.08Å; S449-N452 PolarHBondContact O-N 3.14Å; Y450-N452 PolarHBondContact O-N 2.96Å; N452-N455 VanDerWaalsContact CA-OD1 3.27Å; N452-N455 WeakPolarHBondContact CA-OD1 3.26Å; N452-N455 PolarHBondContact O-OD1 3.03Å; N452-N455 PolarHBondContact OD1-ND2 3.09Å; N452-L457 PolarHBondContact O-N 3.23Å; N452-L457 VanDerWaalsContact O-N 3.1Å; N452-L457 WeakPolarHBondContact OD1-CD2 3.47Å; N452-V458 HydrophobicContact CB-CG2 3.87Å; N452-V458 PolarHBondContact O-N 3.3Å; N452-V458 VanDerWaalsContact O-N 3.11Å; N452-S582 WeakPolarHBondContact OD1-CB 3.41Å
453	I	98.3	Very high	98.4	Very high	32 Å²	32	26.6 Å²	26.6	16%	0.164	13%	0.132	C	C	.	.	H	α-helix	trans	-72.1	-51.2	167	-61.9	-67.7	0	0	0	109.1	S449 N455 G456 V458 F547 A548	S449-I453 PolarHBondContact O-N 2.91Å; I453-N455 PolarHBondContact O-N 2.81Å; I453-G456 PolarHBondContact O-N 3.21Å; I453-V458 HydrophobicContact CD1-CB 3.95Å; I453-V458 HydrophobicContact CD1-CG1 4.17Å; I453-V458 HydrophobicContact CD1-CG2 3.72Å; I453-V458 HydrophobicContact CG1-CG2 4.36Å; I453-F547 HydrophobicContact CD1-CB 3.73Å; I453-F547 WeakPolarHBondContact CD1-O 3.43Å; I453-F547 HydrophobicContact CG1-CB 4.46Å; I453-F547 WeakPolarHBondContact CG1-O 3.26Å; I453-A548 WeakPolarHBondContact CG2-O 3.43Å
454	K	97.8	Very high	98.3	Very high	146 Å²	146	27.8 Å²	27.8	64%	0.635	14%	0.137	S	C	*	.	H	α-helix	trans	-61.3	-40.1	-176.7	-176.2	-177.2	-165.2	157.5	0	114.5	Y450 G456	Y450-K454 HydrophobicContact CE1-CD 3.8Å; Y450-K454 HydrophobicContact CE2-CB 4.48Å; Y450-K454 HydrophobicContact CE2-CD 4.48Å; Y450-K454 WeakPolarHBondContact O-CB 3.15Å; Y450-K454 PolarHBondContact O-N 2.87Å; Y450-K454 WeakPolarHBondContact OH-CE 3.45Å; Y450-K454 PolarHBondContact OH-NZ 2.9Å; K454-G456 PolarHBondContact O-N 2.96Å
455	N	96.5	Very high	98.3	Very high	47 Å²	47	27.8 Å²	27.8	25%	0.251	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.9	178.6	68.6	10.8	0	0	0	113	S451 N452 I453 L457 M666	S451-N455 PolarHBondContact O-N 2.85Å; S451-N455 PolarHBondContact O-ND2 2.88Å; S451-N455 PolarHBondContact O-OD1 2.85Å; N452-N455 VanDerWaalsContact CA-OD1 3.27Å; N452-N455 WeakPolarHBondContact CA-OD1 3.26Å; N452-N455 PolarHBondContact O-OD1 3.03Å; N452-N455 PolarHBondContact OD1-ND2 3.09Å; I453-N455 PolarHBondContact O-N 2.81Å; N455-L457 VanDerWaalsContact C-N 3.29Å; N455-L457 PolarHBondContact O-N 2.86Å; N455-L457 WeakPolarHBondContact OD1-CB 3.31Å; N455-L457 PolarHBondContact OD1-N 2.86Å; N455-M666 VanDerWaalsContact O-CE 3.3Å; N455-M666 WeakPolarHBondContact O-CE 3.36Å
456	G	97.9	Very high	98.2	Very high	28 Å²	28	28.8 Å²	28.8	29%	0.289	14%	0.142	S	C	.	.	S	Bend	trans	77.3	5.4	-178.7	0	0	0	0	0	115.1	I453 K454 K459 L460 M666	I453-G456 PolarHBondContact O-N 3.21Å; K454-G456 PolarHBondContact O-N 2.96Å; G456-K459 PolarHBondContact O-N 2.88Å; G456-L460 PolarHBondContact O-N 3.3Å; G456-L460 VanDerWaalsContact O-N 3.08Å; G456-M666 VanDerWaalsContact C-CE 3.45Å; G456-M666 WeakPolarHBondContact O-CE 3.2Å
457	L	98.4	Very high	98.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-38.1	-172.5	-177.2	66	0	0	0	112.8	N452 N455 K459 L460 I461 F637 F664 F673	N452-L457 PolarHBondContact O-N 3.23Å; N452-L457 VanDerWaalsContact O-N 3.1Å; N452-L457 WeakPolarHBondContact OD1-CD2 3.47Å; N455-L457 VanDerWaalsContact C-N 3.29Å; N455-L457 PolarHBondContact O-N 2.86Å; N455-L457 WeakPolarHBondContact OD1-CB 3.31Å; N455-L457 PolarHBondContact OD1-N 2.86Å; L457-K459 VanDerWaalsContact C-N 3.31Å; L457-K459 PolarHBondContact O-N 3.29Å; L457-L460 HydrophobicContact CD1-CD2 4.19Å; L457-L460 WeakPolarHBondContact O-CB 3.43Å; L457-L460 PolarHBondContact O-N 2.92Å; L457-I461 HydrophobicContact CD1-CD1 4.23Å; L457-I461 HydrophobicContact CD1-CG1 4.21Å; L457-I461 HydrophobicContact CD2-CD1 4.32Å; L457-I461 HydrophobicContact CG-CD1 3.78Å; L457-I461 HydrophobicContact CG-CG1 4.24Å; L457-I461 VanDerWaalsContact O-CG1 3.31Å; L457-I461 WeakPolarHBondContact O-CG1 3.37Å; L457-I461 PolarHBondContact O-N 2.94Å; L457-F637 HydrophobicContact CD1-CD1 4.32Å; L457-F637 HydrophobicContact CD1-CE1 3.79Å; L457-F637 HydrophobicContact CD1-CZ 3.98Å; L457-F637 HydrophobicContact CD2-CB 4.23Å; L457-F637 HydrophobicContact CD2-CD1 3.61Å; L457-F637 HydrophobicContact CD2-CD2 3.48Å; L457-F637 VanDerWaalsContact CD2-CD2 3.48Å; L457-F637 HydrophobicContact CD2-CE1 3.72Å; L457-F637 HydrophobicContact CD2-CE2 3.62Å; L457-F637 HydrophobicContact CD2-CG 3.49Å; L457-F637 VanDerWaalsContact CD2-CG 3.49Å; L457-F637 HydrophobicContact CD2-CZ 3.73Å; L457-F637 HydrophobicContact CG-CE1 4.43Å; L457-F637 HydrophobicContact CG-CZ 4.45Å; L457-F664 HydrophobicContact CD1-CE1 4.14Å; L457-F664 HydrophobicContact CD1-CZ 4.06Å; L457-F673 HydrophobicContact CD1-CD1 4.01Å; L457-F673 HydrophobicContact CD1-CE1 3.83Å; L457-F673 HydrophobicContact CD1-CZ 4.49Å
458	V	98.8	Very high	98	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-57.2	-46.2	176.7	175.3	0	0	0	0	110.9	I446 V448 N452 I453 I461 C462 I543	I446-V458 HydrophobicContact CG2-CG1 4.47Å; I446-V458 HydrophobicContact CG2-CG2 4.18Å; V448-V458 HydrophobicContact CB-CG2 4.49Å; V448-V458 HydrophobicContact CG1-CG1 4.04Å; V448-V458 HydrophobicContact CG1-CG2 3.97Å; N452-V458 HydrophobicContact CB-CG2 3.87Å; N452-V458 PolarHBondContact O-N 3.3Å; N452-V458 VanDerWaalsContact O-N 3.11Å; I453-V458 HydrophobicContact CD1-CB 3.95Å; I453-V458 HydrophobicContact CD1-CG1 4.17Å; I453-V458 HydrophobicContact CD1-CG2 3.72Å; I453-V458 HydrophobicContact CG1-CG2 4.36Å; V458-I461 PolarHBondContact O-N 3.29Å; V458-C462 PolarHBondContact O-N 2.75Å; V458-C462 PolarHBondContact O-SG 3.23Å; V458-I543 HydrophobicContact CG1-CG2 3.83Å
459	K	98.5	Very high	97.9	Very high	93 Å²	93	32.8 Å²	32.8	40%	0.404	17%	0.166	S	C	.	.	H	α-helix	trans	-66.4	-41.1	177.7	-160.9	149.7	-162.7	149.8	0	111.5	G456 L457 I461 C462 E463 P544 D545	G456-K459 PolarHBondContact O-N 2.88Å; L457-K459 VanDerWaalsContact C-N 3.31Å; L457-K459 PolarHBondContact O-N 3.29Å; K459-I461 PolarHBondContact O-N 3.16Å; K459-C462 PolarHBondContact O-N 3.27Å; K459-E463 HydrophobicContact CG-CG 4.19Å; K459-E463 WeakPolarHBondContact O-CB 3.44Å; K459-E463 WeakPolarHBondContact O-CG 3.5Å; K459-E463 PolarHBondContact O-N 2.95Å; K459-P544 HydrophobicContact CB-CB 3.88Å; K459-P544 HydrophobicContact CB-CG 4.13Å; K459-P544 HydrophobicContact CD-CB 3.81Å; K459-P544 HydrophobicContact CD-CG 4.37Å; K459-P544 HydrophobicContact CG-CB 3.83Å; K459-P544 HydrophobicContact CG-CG 3.95Å; K459-D545 IonicContact NZ-OD1 2.75Å; K459-D545 PolarHBondContact NZ-OD1 3.46Å; K459-D545 IonicContact NZ-OD2 2.7Å
460	L	98.6	Very high	97.8	Very high	13 Å²	13	37.1 Å²	37.1	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-44.7	175.6	-178.9	66.3	0	0	0	112.8	G456 L457 E464 F664 M666 R670 F673 L674	G456-L460 PolarHBondContact O-N 3.3Å; G456-L460 VanDerWaalsContact O-N 3.08Å; L457-L460 HydrophobicContact CD1-CD2 4.19Å; L457-L460 WeakPolarHBondContact O-CB 3.43Å; L457-L460 PolarHBondContact O-N 2.92Å; L460-E464 WeakPolarHBondContact O-CB 3.34Å; L460-E464 PolarHBondContact O-N 2.7Å; L460-E464 VanDerWaalsContact O-N 3.15Å; L460-F664 HydrophobicContact CD2-CZ 4.12Å; L460-M666 HydrophobicContact CB-CE 3.89Å; L460-M666 HydrophobicContact CB-SD 4.44Å; L460-M666 HydrophobicContact CD1-SD 4.39Å; L460-M666 HydrophobicContact CD2-CE 3.93Å; L460-M666 HydrophobicContact CD2-SD 3.84Å; L460-M666 HydrophobicContact CG-CE 4.43Å; L460-M666 HydrophobicContact CG-SD 4.45Å; L460-R670 HydrophobicContact CD1-CG 4.03Å; L460-R670 HydrophobicContact CD2-CB 4.38Å; L460-R670 HydrophobicContact CD2-CG 3.98Å; L460-F673 HydrophobicContact CD2-CD1 3.81Å; L460-F673 HydrophobicContact CD2-CE1 4.09Å; L460-F673 HydrophobicContact CG-CE1 4.42Å; L460-L674 HydrophobicContact CD1-CD1 4.17Å; L460-L674 HydrophobicContact CD1-CD2 4.06Å; L460-L674 HydrophobicContact CD1-CG 4.47Å; L460-L674 HydrophobicContact CD2-CD2 4.33Å; L460-L674 HydrophobicContact CG-CD2 4.06Å
461	I	98.7	Very high	97.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-49.7	176.5	-66.8	161.9	0	0	0	110	I446 L457 V458 K459 E464 L465 F580 F673	I446-I461 HydrophobicContact CD1-CB 4.48Å; I446-I461 HydrophobicContact CD1-CG2 3.64Å; I446-I461 HydrophobicContact CG1-CG2 4.11Å; I446-I461 HydrophobicContact CG2-CD1 4.13Å; L457-I461 HydrophobicContact CD1-CD1 4.23Å; L457-I461 HydrophobicContact CD1-CG1 4.21Å; L457-I461 HydrophobicContact CD2-CD1 4.32Å; L457-I461 HydrophobicContact CG-CD1 3.78Å; L457-I461 HydrophobicContact CG-CG1 4.24Å; L457-I461 VanDerWaalsContact O-CG1 3.31Å; L457-I461 WeakPolarHBondContact O-CG1 3.37Å; L457-I461 PolarHBondContact O-N 2.94Å; V458-I461 PolarHBondContact O-N 3.29Å; K459-I461 PolarHBondContact O-N 3.16Å; I461-E464 PolarHBondContact O-N 3.33Å; I461-L465 HydrophobicContact CG2-CD1 3.63Å; I461-L465 HydrophobicContact CG2-CG 4.14Å; I461-L465 WeakPolarHBondContact O-CB 3.44Å; I461-L465 VanDerWaalsContact O-CG 3.26Å; I461-L465 WeakPolarHBondContact O-CG 3.44Å; I461-L465 PolarHBondContact O-N 3.37Å; I461-F580 HydrophobicContact CD1-CB 3.67Å; I461-F580 HydrophobicContact CD1-CD1 3.76Å; I461-F580 HydrophobicContact CD1-CD2 4.28Å; I461-F580 HydrophobicContact CD1-CE1 4.47Å; I461-F580 HydrophobicContact CD1-CG 3.64Å; I461-F580 HydrophobicContact CG1-CD1 4.14Å; I461-F580 HydrophobicContact CG1-CE1 4.41Å; I461-F580 HydrophobicContact CG1-CG 4.41Å; I461-F580 HydrophobicContact CG2-CD2 4.37Å; I461-F580 HydrophobicContact CG2-CE2 4.16Å; I461-F580 HydrophobicContact CG2-CZ 4.23Å; I461-F673 HydrophobicContact CG1-CE1 3.99Å; I461-F673 HydrophobicContact CG1-CZ 3.83Å
462	C	98.8	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67	-41.5	-174.2	-61.5	0	0	0	0	112.7	V458 K459 K466 L540 P544	V458-C462 PolarHBondContact O-N 2.75Å; V458-C462 PolarHBondContact O-SG 3.23Å; K459-C462 PolarHBondContact O-N 3.27Å; C462-K466 WeakPolarHBondContact O-CG 3.17Å; C462-L540 HydrophobicContact CB-CB 4.24Å; C462-L540 HydrophobicContact CB-CD2 4.13Å; C462-L540 WeakPolarHBondContact CB-O 3.43Å; C462-P544 HydrophobicContact CB-CG 3.86Å
463	E	98	Very high	97.7	Very high	79 Å²	79	37.3 Å²	37.3	37%	0.369	19%	0.186	S	C	.	.	H	α-helix	trans	-67.1	-41.7	176.6	-66.7	-50.2	138.2	0	0	112.8	K459 K466	K459-E463 HydrophobicContact CG-CG 4.19Å; K459-E463 WeakPolarHBondContact O-CB 3.44Å; K459-E463 WeakPolarHBondContact O-CG 3.5Å; K459-E463 PolarHBondContact O-N 2.95Å; E463-K466 IonicContact OE1-NZ 2.73Å; E463-K466 PolarHBondContact OE1-NZ 3.33Å; E463-K466 IonicContact OE2-NZ 2.65Å; E463-K466 PolarHBondContact OE2-NZ 2.72Å
464	E	97.4	Very high	97.5	Very high	25 Å²	25	40.7 Å²	40.7	12%	0.117	20%	0.2	C	C	.	.	H	α-helix	trans	-70.4	-41.1	178.7	-172.2	83.9	-155.5	0	0	111	L460 I461 K466 T467 M468 L674 R678	L460-E464 WeakPolarHBondContact O-CB 3.34Å; L460-E464 PolarHBondContact O-N 2.7Å; L460-E464 VanDerWaalsContact O-N 3.15Å; I461-E464 PolarHBondContact O-N 3.33Å; E464-K466 PolarHBondContact O-N 3.38Å; E464-K466 VanDerWaalsContact O-N 3.15Å; E464-T467 WeakPolarHBondContact O-CA 3.47Å; E464-T467 WeakPolarHBondContact O-CB 3.43Å; E464-T467 PolarHBondContact O-N 3.31Å; E464-M468 HydrophobicContact CB-SD 4.28Å; E464-M468 HydrophobicContact CG-CG 3.74Å; E464-M468 HydrophobicContact CG-SD 3.4Å; E464-M468 WeakPolarHBondContact CG-SD 3.27Å; E464-M468 WeakPolarHBondContact O-CG 3.32Å; E464-M468 PolarHBondContact O-N 3.25Å; E464-L674 HydrophobicContact CB-CD2 3.83Å; E464-L674 HydrophobicContact CG-CD2 3.69Å; E464-L674 WeakPolarHBondContact OE2-CD1 3.19Å; E464-R678 IonicContact OE1-CZ 3.16Å; E464-R678 IonicContact OE1-NE 2.71Å; E464-R678 PolarHBondContact OE1-NE 3.07Å; E464-R678 IonicContact OE1-NH2 2.77Å; E464-R678 PolarHBondContact OE1-NH2 3.21Å; E464-R678 IonicContact OE2-CZ 2.71Å; E464-R678 IonicContact OE2-NH2 3.29Å; E464-R678 PolarHBondContact OE2-NH2 3.14Å
465	L	98.1	Very high	97.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.8	-35.8	-179.1	-79.3	177	0	0	0	112.9	F444 I461 T467 M468 L469 L540 I681	F444-L465 HydrophobicContact CB-CD1 4.39Å; F444-L465 HydrophobicContact CD1-CD1 4.17Å; F444-L465 HydrophobicContact CD1-CD2 3.85Å; F444-L465 HydrophobicContact CE1-CD2 3.71Å; F444-L465 HydrophobicContact CG-CD1 4.26Å; F444-L465 HydrophobicContact CG-CD2 4.5Å; F444-L465 HydrophobicContact CZ-CD2 4.26Å; I461-L465 HydrophobicContact CG2-CD1 3.63Å; I461-L465 HydrophobicContact CG2-CG 4.14Å; I461-L465 WeakPolarHBondContact O-CB 3.44Å; I461-L465 VanDerWaalsContact O-CG 3.26Å; I461-L465 WeakPolarHBondContact O-CG 3.44Å; I461-L465 PolarHBondContact O-N 3.37Å; L465-T467 PolarHBondContact O-N 3.41Å; L465-T467 VanDerWaalsContact O-N 3.13Å; L465-M468 HydrophobicContact CD2-SD 4.36Å; L465-M468 PolarHBondContact O-N 2.94Å; L465-L469 WeakPolarHBondContact O-CD1 3.25Å; L465-L469 WeakPolarHBondContact O-CG 3.22Å; L465-L469 PolarHBondContact O-N 2.91Å; L465-L540 HydrophobicContact CB-CD1 4.1Å; L465-L540 HydrophobicContact CD1-CD2 4.47Å; L465-I681 HydrophobicContact CD2-CD1 4.31Å
466	K	97.4	Very high	96.7	Very high	20 Å²	20	42.9 Å²	42.9	9%	0.087	21%	0.211	C	C	.	.	H	α-helix	trans	-52.2	-33.2	171.9	-65.9	171.9	-160.4	171.1	0	113	C462 E463 E464 L540 D541	C462-K466 WeakPolarHBondContact O-CG 3.17Å; E463-K466 IonicContact OE1-NZ 2.73Å; E463-K466 PolarHBondContact OE1-NZ 3.33Å; E463-K466 IonicContact OE2-NZ 2.65Å; E463-K466 PolarHBondContact OE2-NZ 2.72Å; E464-K466 PolarHBondContact O-N 3.38Å; E464-K466 VanDerWaalsContact O-N 3.15Å; K466-L540 HydrophobicContact CD-CB 4.38Å; K466-L540 HydrophobicContact CG-CB 3.95Å; K466-L540 HydrophobicContact CG-CD1 3.77Å; K466-D541 IonicContact NZ-OD1 3.14Å; K466-D541 PolarHBondContact NZ-OD1 2.96Å
467	T	96.9	Very high	96.2	Very high	83 Å²	83	49.3 Å²	49.3	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-89.5	-30.8	178.4	-53.2	0	0	0	0	112.5	E464 L465	E464-T467 WeakPolarHBondContact O-CA 3.47Å; E464-T467 WeakPolarHBondContact O-CB 3.43Å; E464-T467 PolarHBondContact O-N 3.31Å; L465-T467 PolarHBondContact O-N 3.41Å; L465-T467 VanDerWaalsContact O-N 3.13Å
468	M	96.4	Very high	95.8	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-82.7	-27.3	-174.3	-58.7	176.6	82.8	0	0	113.7	E464 L465 E470 K471 L677 R678 I681	E464-M468 HydrophobicContact CB-SD 4.28Å; E464-M468 HydrophobicContact CG-CG 3.74Å; E464-M468 HydrophobicContact CG-SD 3.4Å; E464-M468 WeakPolarHBondContact CG-SD 3.27Å; E464-M468 WeakPolarHBondContact O-CG 3.32Å; E464-M468 PolarHBondContact O-N 3.25Å; L465-M468 HydrophobicContact CD2-SD 4.36Å; L465-M468 PolarHBondContact O-N 2.94Å; M468-E470 PolarHBondContact O-N 2.62Å; M468-K471 WeakPolarHBondContact O-CA 3.29Å; M468-K471 WeakPolarHBondContact O-CB 3.48Å; M468-K471 PolarHBondContact O-N 2.67Å; M468-L677 HydrophobicContact CE-CB 3.95Å; M468-L677 HydrophobicContact CE-CD2 3.95Å; M468-L677 HydrophobicContact CE-CG 3.51Å; M468-L677 WeakPolarHBondContact CE-O 3.49Å; M468-L677 HydrophobicContact SD-CD2 3.67Å; M468-L677 HydrophobicContact SD-CG 3.94Å; M468-R678 HydrophobicContact CE-CB 3.95Å; M468-R678 HydrophobicContact CE-CG 3.43Å; M468-R678 VanDerWaalsContact CE-CG 3.43Å; M468-R678 HydrophobicContact SD-CG 4.45Å; M468-I681 HydrophobicContact CB-CD1 4.26Å; M468-I681 HydrophobicContact CE-CD1 3.91Å; M468-I681 HydrophobicContact CE-CG1 4.47Å; M468-I681 HydrophobicContact SD-CD1 4.46Å
469	L	97.7	Very high	95.4	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-66.3	-25.4	179.5	-69.2	163	0	0	0	112.3	F444 L465 K471 L472 V485 F487 Y529 I536 L540	F444-L469 HydrophobicContact CE2-CD2 3.74Å; F444-L469 HydrophobicContact CZ-CD2 4.12Å; L465-L469 WeakPolarHBondContact O-CD1 3.25Å; L465-L469 WeakPolarHBondContact O-CG 3.22Å; L465-L469 PolarHBondContact O-N 2.91Å; L469-K471 PolarHBondContact O-N 2.83Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L469-L472 WeakPolarHBondContact O-CD1 3.29Å; L469-L472 VanDerWaalsContact O-CG 3.31Å; L469-L472 WeakPolarHBondContact O-CG 3.34Å; L469-L472 PolarHBondContact O-N 3.02Å; L469-V485 HydrophobicContact CD2-CB 4.5Å; L469-V485 HydrophobicContact CD2-CG1 3.91Å; L469-F487 HydrophobicContact CD1-CE1 4.38Å; L469-F487 HydrophobicContact CD1-CZ 3.94Å; L469-F487 HydrophobicContact CD2-CZ 4.46Å; L469-Y529 HydrophobicContact CB-CD1 4.05Å; L469-Y529 HydrophobicContact CB-CD2 3.56Å; L469-Y529 HydrophobicContact CB-CE1 3.95Å; L469-Y529 HydrophobicContact CB-CE2 3.42Å; L469-Y529 VanDerWaalsContact CB-CE2 3.42Å; L469-Y529 HydrophobicContact CB-CG 3.87Å; L469-Y529 HydrophobicContact CD1-CD2 3.85Å; L469-Y529 HydrophobicContact CD1-CE2 3.73Å; L469-Y529 HydrophobicContact CD2-CD2 4.47Å; L469-Y529 HydrophobicContact CG-CD2 4.17Å; L469-Y529 HydrophobicContact CG-CE2 4.18Å; L469-I536 HydrophobicContact CD1-CG2 3.89Å; L469-L540 HydrophobicContact CD1-CD1 4.12Å
470	E	96.2	Very high	95.1	Very high	91 Å²	91	60.5 Å²	60.5	43%	0.425	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-62.5	-21.2	168	-57.7	-57.9	159.6	0	0	113.4	M468 Y529 Q530 Q533	M468-E470 PolarHBondContact O-N 2.62Å; E470-Y529 HydrophobicContact CG-CE1 4.41Å; E470-Y529 VanDerWaalsContact OE1-CE1 3.31Å; E470-Y529 WeakPolarHBondContact OE1-CE1 3.38Å; E470-Y529 PolarHBondContact OE1-OH 2.95Å; E470-Q530 PolarHBondContact OE2-NE2 2.84Å; E470-Q533 PolarHBondContact OE1-NE2 3.4Å
471	K	96.7	Very high	95.1	Very high	96 Å²	96	60.8 Å²	60.8	42%	0.417	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-103.1	12.7	-175.8	-52.5	-167.4	-175.1	-171.4	0	114.2	M468 L469 E682	M468-K471 WeakPolarHBondContact O-CA 3.29Å; M468-K471 WeakPolarHBondContact O-CB 3.48Å; M468-K471 PolarHBondContact O-N 2.67Å; L469-K471 PolarHBondContact O-N 2.83Å; K471-E682 HydrophobicContact CB-CG 4.23Å; K471-E682 HydrophobicContact CD-CG 4.22Å; K471-E682 WeakPolarHBondContact CD-OE1 3.4Å; K471-E682 WeakPolarHBondContact CE-OE1 3.27Å; K471-E682 IonicContact NZ-OE1 3.06Å; K471-E682 PolarHBondContact NZ-OE1 2.57Å; K471-E682 IonicContact NZ-OE2 2.8Å
472	L	97.3	Very high	95	Very high	15 Å²	15	62.2 Å²	62.2	8%	0.079	30%	0.303	C	S	.	.			trans	-52.7	130.6	175.1	-75	166.8	0	0	0	110.2	F442 L469 K474 V485 I681	F442-L472 HydrophobicContact CD2-CD2 3.54Å; F442-L472 HydrophobicContact CE2-CD2 3.86Å; F442-L472 HydrophobicContact CG-CD2 4.45Å; L469-L472 HydrophobicContact CD2-CD1 4.24Å; L469-L472 WeakPolarHBondContact O-CD1 3.29Å; L469-L472 VanDerWaalsContact O-CG 3.31Å; L469-L472 WeakPolarHBondContact O-CG 3.34Å; L469-L472 PolarHBondContact O-N 3.02Å; L472-K474 PolarHBondContact O-N 2.79Å; L472-V485 HydrophobicContact CD1-CG1 3.68Å; L472-V485 HydrophobicContact CD2-CG1 4.33Å; L472-I681 HydrophobicContact CD2-CG2 4.36Å
473	P	96.5	Very high	95	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.058	30%	0.303	C	S	.	.			trans	-54.5	135.2	-179	-29.1	35.3	0	0	0	112.7	S481 I483 I681 I754	P473-S481 WeakPolarHBondContact O-CB 3.46Å; P473-S481 PolarHBondContact O-OG 3.45Å; P473-I483 HydrophobicContact CB-CD1 4.23Å; P473-I483 WeakPolarHBondContact O-CD1 3.28Å; P473-I681 WeakPolarHBondContact CD-O 3.26Å; P473-I681 WeakPolarHBondContact CG-O 3.45Å; P473-I754 HydrophobicContact CB-CD1 3.71Å
474	K	94.8	Very high	95	Very high	103 Å²	103	61.6 Å²	61.6	45%	0.448	30%	0.297	S	S	.	.			trans	-132.2	158	167.5	68.6	-170.7	-172.8	-175.2	0	109.8	L472 E478 E479	L472-K474 PolarHBondContact O-N 2.79Å; K474-E478 WeakPolarHBondContact CD-O 3.35Å; K474-E479 PolarHBondContact NZ-O 3.24Å
475	E	91.8	Very high	95.1	Very high	35 Å²	35	60.4 Å²	60.4	16%	0.164	29%	0.292	C	S	.	.			trans	-81.7	155.2	170.1	-67.6	-170.1	-126.8	0	0	110.3	Q477 E478 T753 I754 S755 R759	E475-Q477 PolarHBondContact O-N 2.8Å; E475-E478 PolarHBondContact N-OE2 3.39Å; E475-E478 PolarHBondContact O-N 3.14Å; E475-T753 VanDerWaalsContact OE1-CB 3.3Å; E475-T753 WeakPolarHBondContact OE1-CB 3.49Å; E475-T753 PolarHBondContact OE1-OG1 2.89Å; E475-I754 HydrophobicContact CG-CD1 4.03Å; E475-I754 HydrophobicContact CG-CG1 3.89Å; E475-S755 WeakPolarHBondContact OE1-CB 3.39Å; E475-S755 PolarHBondContact OE1-OG 2.94Å; E475-R759 IonicContact OE1-NH2 2.6Å; E475-R759 IonicContact OE2-CZ 3.47Å; E475-R759 IonicContact OE2-NH1 3.29Å; E475-R759 PolarHBondContact OE2-NH1 2.97Å; E475-R759 IonicContact OE2-NH2 3.24Å; E475-R759 PolarHBondContact OE2-NH2 2.85Å
476	E	86.8	Confident	95.1	Very high	204 Å²	204	60.4 Å²	60.4	95%	0.953	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.8	-177.2	-170.6	176.8	168.8	0	0	113.1	E478	E476-E478 VanDerWaalsContact C-N 3.32Å
477	Q	86.2	Confident	95.2	Very high	163 Å²	163	59.6 Å²	59.6	76%	0.762	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.4	177.5	-60.2	174	4.6	0	0	113.2	E475	E475-Q477 PolarHBondContact O-N 2.8Å
478	E	89.6	Confident	95.3	Very high	49 Å²	49	55.7 Å²	55.7	23%	0.229	26%	0.264	C	S	.	.			trans	-120.3	128.3	-173.2	-58.1	179.7	142.6	0	0	112	K474 E475 E476 M480 S755	K474-E478 WeakPolarHBondContact CD-O 3.35Å; E475-E478 PolarHBondContact N-OE2 3.39Å; E475-E478 PolarHBondContact O-N 3.14Å; E476-E478 VanDerWaalsContact C-N 3.32Å; E478-M480 VanDerWaalsContact C-N 3.34Å; E478-M480 WeakPolarHBondContact CB-O 3.21Å; E478-M480 PolarHBondContact O-N 2.75Å; E478-S755 WeakPolarHBondContact OE1-CB 3.34Å
479	E	90.9	Very high	95.4	Very high	184 Å²	184	55.5 Å²	55.5	86%	0.86	26%	0.263	S	S	*	.	S	Bend	trans	-67	-34.9	177.9	-64.5	-172.4	166.2	0	0	112.5	K474	K474-E479 PolarHBondContact NZ-O 3.24Å
480	M	93.3	Very high	95.4	Very high	97 Å²	97	55.4 Å²	55.4	48%	0.478	26%	0.263	S	S	.	.	S	Bend	trans	-127.8	159.2	178	-60.4	-164.1	-61.9	0	0	110.4	E478 A482 Q530	E478-M480 VanDerWaalsContact C-N 3.34Å; E478-M480 WeakPolarHBondContact CB-O 3.21Å; E478-M480 PolarHBondContact O-N 2.75Å; M480-A482 PolarHBondContact O-N 2.95Å; M480-Q530 HydrophobicContact SD-CB 3.96Å; M480-Q530 HydrophobicContact SD-CG 4.07Å
481	S	97.1	Very high	95.3	Very high	18 Å²	18	51.7 Å²	51.7	13%	0.126	25%	0.246	C	C	.	.			trans	-68.9	132	171.4	-175.2	0	0	0	0	110.9	P473 I483 N528	P473-S481 WeakPolarHBondContact O-CB 3.46Å; P473-S481 PolarHBondContact O-OG 3.45Å; S481-I483 PolarHBondContact O-N 3.01Å; S481-I483 WeakPolarHBondContact OG-CB 3.27Å; S481-I483 VanDerWaalsContact OG-CG1 3.28Å; S481-I483 WeakPolarHBondContact OG-CG1 3.43Å; S481-I483 PolarHBondContact OG-N 2.77Å; S481-I483 VanDerWaalsContact OG-N 3.14Å; S481-N528 PolarHBondContact O-ND2 2.88Å
482	A	97.6	Very high	95.3	Very high	31 Å²	31	50.9 Å²	50.9	26%	0.256	24%	0.242	S	C	.	.			trans	-72.6	-7.9	168.9	0	0	0	0	0	113.1	P439 M480 R484	P439-A482 HydrophobicContact CB-CB 3.76Å; P439-A482 HydrophobicContact CG-CB 4.12Å; M480-A482 PolarHBondContact O-N 2.95Å; A482-R484 PolarHBondContact O-N 3.33Å
483	I	98.4	Very high	95.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.246	C	C	.	.			trans	-70.9	123.4	-179.2	-56	175.7	0	0	0	109.9	P440 F442 P473 S481 I754	P440-I483 HydrophobicContact CG-CG1 4.32Å; P440-I483 WeakPolarHBondContact O-CA 3.3Å; F442-I483 HydrophobicContact CB-CG2 4.32Å; F442-I483 HydrophobicContact CD1-CG2 3.7Å; F442-I483 HydrophobicContact CD2-CG2 4.29Å; F442-I483 HydrophobicContact CE1-CD1 4.07Å; F442-I483 HydrophobicContact CE1-CG2 4.02Å; F442-I483 HydrophobicContact CE2-CD1 4.37Å; F442-I483 HydrophobicContact CG-CG2 3.83Å; F442-I483 HydrophobicContact CZ-CD1 3.86Å; F442-I483 HydrophobicContact CZ-CG2 4.47Å; P473-I483 HydrophobicContact CB-CD1 4.23Å; P473-I483 WeakPolarHBondContact O-CD1 3.28Å; S481-I483 PolarHBondContact O-N 3.01Å; S481-I483 WeakPolarHBondContact OG-CB 3.27Å; S481-I483 VanDerWaalsContact OG-CG1 3.28Å; S481-I483 WeakPolarHBondContact OG-CG1 3.43Å; S481-I483 PolarHBondContact OG-N 2.77Å; S481-I483 VanDerWaalsContact OG-N 3.14Å; I483-I754 HydrophobicContact CD1-CB 4.1Å; I483-I754 HydrophobicContact CD1-CG2 3.96Å; I483-I754 HydrophobicContact CG1-CB 4.25Å
484	R	98.4	Very high	95.4	Very high	64 Å²	64	51 Å²	51	24%	0.242	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	153.6	172.2	-67.3	177.7	-69.4	168.6	-2.7	111.1	P440 A441 F442 A482 L526 V527 C573	P440-R484 PolarHBondContact O-N 3.24Å; A441-R484 CarbonylContact C-O 3.58Å; A441-R484 WeakPolarHBondContact CA-O 3.35Å; A441-R484 HydrophobicContact CB-CB 4Å; A441-R484 WeakPolarHBondContact CB-O 3.45Å; F442-R484 PolarHBondContact N-O 2.83Å; A482-R484 PolarHBondContact O-N 3.33Å; R484-L526 HydrophobicContact CB-CB 4.18Å; R484-V527 CarbonylContact C-O 3.53Å; R484-V527 VanDerWaalsContact CA-O 3.25Å; R484-V527 WeakPolarHBondContact CA-O 3.08Å; R484-V527 WeakPolarHBondContact CB-O 3.39Å; R484-C573 PolarHBondContact NH2-SG 2.88Å
485	V	98.8	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.8	177.6	-62.8	0	0	0	0	112.4	F442 F444 L469 L472 F487 F525 L526 V527 I536	F442-V485 WeakPolarHBondContact O-CA 3.4Å; F444-V485 HydrophobicContact CE2-CB 4.46Å; F444-V485 HydrophobicContact CE2-CG1 4.15Å; L469-V485 HydrophobicContact CD2-CB 4.5Å; L469-V485 HydrophobicContact CD2-CG1 3.91Å; L472-V485 HydrophobicContact CD1-CG1 3.68Å; L472-V485 HydrophobicContact CD2-CG1 4.33Å; V485-F487 HydrophobicContact CB-CE2 4.35Å; V485-F487 HydrophobicContact CB-CZ 4.41Å; V485-F487 HydrophobicContact CG2-CE2 3.98Å; V485-F487 HydrophobicContact CG2-CZ 4.23Å; V485-F525 VanDerWaalsContact O-O 3.14Å; V485-L526 WeakPolarHBondContact O-CA 3.46Å; V485-V527 HydrophobicContact CG2-CG2 4.4Å; V485-V527 PolarHBondContact N-O 3.09Å; V485-V527 PolarHBondContact O-N 3.33Å; V485-I536 HydrophobicContact CG2-CD1 3.89Å
486	G	98.6	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.1	173.1	0	0	0	0	0	112.4	F442 I443 F444 F525	F442-G486 PolarHBondContact O-N 2.92Å; F442-G486 VanDerWaalsContact O-N 3.08Å; I443-G486 WeakPolarHBondContact CA-O 3.22Å; F444-G486 PolarHBondContact N-O 3.04Å; G486-F525 WeakPolarHBondContact CA-O 3.29Å
487	F	98.8	Very high	96.4	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.3	-168.1	-58.7	-87.6	0	0	0	111.8	F444 L469 V485 F497 V499 F525 I536 L539 L540	F444-F487 HydrophobicContact CB-CD1 4.04Å; F444-F487 HydrophobicContact CB-CE1 4.29Å; F444-F487 HydrophobicContact CD2-CD1 4.27Å; F444-F487 AromaticContact CD2-CE1 3.8Å; F444-F487 HydrophobicContact CD2-CE1 3.8Å; F444-F487 HydrophobicContact CD2-CZ 4.32Å; F444-F487 HydrophobicContact CG-CE1 4.32Å; L469-F487 HydrophobicContact CD1-CE1 4.38Å; L469-F487 HydrophobicContact CD1-CZ 3.94Å; L469-F487 HydrophobicContact CD2-CZ 4.46Å; V485-F487 HydrophobicContact CB-CE2 4.35Å; V485-F487 HydrophobicContact CB-CZ 4.41Å; V485-F487 HydrophobicContact CG2-CE2 3.98Å; V485-F487 HydrophobicContact CG2-CZ 4.23Å; F487-F497 HydrophobicContact CB-CD2 4.41Å; F487-F497 PolarHBondContact O-N 2.7Å; F487-V499 HydrophobicContact CD2-CG2 4.37Å; F487-F525 WeakPolarHBondContact O-CE2 3.42Å; F487-I536 HydrophobicContact CE1-CG2 4.47Å; F487-I536 HydrophobicContact CE2-CB 4.46Å; F487-I536 HydrophobicContact CE2-CD1 4.01Å; F487-I536 HydrophobicContact CE2-CG1 3.92Å; F487-I536 HydrophobicContact CE2-CG2 3.77Å; F487-I536 HydrophobicContact CZ-CG2 3.59Å; F487-L539 HydrophobicContact CB-CD2 3.92Å; F487-L539 HydrophobicContact CD2-CD2 4.24Å; F487-L539 HydrophobicContact CG-CD2 4.1Å; F487-L540 HydrophobicContact CD1-CD2 4.46Å; F487-L540 HydrophobicContact CE1-CD2 4.33Å
488	I	98.8	Very high	97	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.9	172.6	-58.4	179.8	0	0	0	108.2	I443 F444 M445 I446 H495 F496 F525 A563	I443-I488 HydrophobicContact CG2-CD1 4.4Å; F444-I488 PolarHBondContact O-N 3.39Å; M445-I488 VanDerWaalsContact CA-O 3.3Å; M445-I488 WeakPolarHBondContact CA-O 3.26Å; M445-I488 HydrophobicContact CG-CB 4.06Å; M445-I488 HydrophobicContact CG-CD1 4.48Å; M445-I488 HydrophobicContact SD-CB 4.3Å; M445-I488 HydrophobicContact SD-CD1 3.8Å; M445-I488 HydrophobicContact SD-CG1 4.44Å; I446-I488 PolarHBondContact N-O 3.47Å; I488-H495 VanDerWaalsContact CA-O 3.31Å; I488-H495 WeakPolarHBondContact CA-O 2.99Å; I488-H495 WeakPolarHBondContact CG2-O 3.41Å; I488-F496 HydrophobicContact CD1-CD1 3.62Å; I488-F496 HydrophobicContact CD1-CE1 3.42Å; I488-F496 VanDerWaalsContact CD1-CE1 3.42Å; I488-F496 HydrophobicContact CD1-CG 4.4Å; I488-F496 HydrophobicContact CD1-CZ 4.07Å; I488-F496 HydrophobicContact CG1-CD1 3.87Å; I488-F496 HydrophobicContact CG1-CE1 4.2Å; I488-F496 HydrophobicContact CG1-CG 4.36Å; I488-F525 HydrophobicContact CD1-CE2 4.15Å; I488-F525 HydrophobicContact CD1-CZ 3.76Å; I488-F525 HydrophobicContact CG1-CE2 3.67Å; I488-F525 HydrophobicContact CG1-CZ 3.73Å; I488-A563 HydrophobicContact CD1-CB 4.35Å
489	T	98.9	Very high	97.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	150.1	160.8	60.9	0	0	0	0	109.4	I446 V448 H495 F497 I543 F547	I446-T489 HydrophobicContact CB-CG2 4.36Å; I446-T489 CarbonylContact O-C 3.55Å; I446-T489 VanDerWaalsContact O-CA 3.31Å; I446-T489 WeakPolarHBondContact O-CA 3.3Å; V448-T489 HydrophobicContact CG1-CG2 3.82Å; T489-H495 PolarHBondContact N-O 3.33Å; T489-H495 PolarHBondContact O-N 2.85Å; T489-H495 PolarHBondContact O-ND1 3.16Å; T489-F497 HydrophobicContact CG2-CE2 3.89Å; T489-F497 HydrophobicContact CG2-CZ 4.34Å; T489-I543 HydrophobicContact CG2-CD1 3.91Å; T489-I543 HydrophobicContact CG2-CG1 4.15Å; T489-I543 HydrophobicContact CG2-CG2 3.84Å; T489-F547 HydrophobicContact CG2-CE2 4.18Å; T489-F547 VanDerWaalsContact OG1-CE2 3.28Å; T489-F547 WeakPolarHBondContact OG1-CE2 3.26Å; T489-F547 VanDerWaalsContact OG1-CZ 3.29Å; T489-F547 WeakPolarHBondContact OG1-CZ 3.46Å
490	Y	98.8	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.9	-180	69.8	-87.5	0	0	0	113.5	M445 I446 D447 V448 V493 V556 V560 I579 F580 H581	M445-Y490 HydrophobicContact CB-CE1 4.37Å; I446-Y490 WeakPolarHBondContact O-CD1 3.48Å; I446-Y490 PolarHBondContact O-N 2.87Å; D447-Y490 WeakPolarHBondContact CA-O 3.37Å; D447-Y490 HydrophobicContact CB-CE1 4.18Å; D447-Y490 HydrophobicContact CB-CE2 3.92Å; V448-Y490 WeakPolarHBondContact CG2-O 3.42Å; V448-Y490 PolarHBondContact N-O 3.46Å; Y490-V493 VanDerWaalsContact CA-O 3.26Å; Y490-V493 WeakPolarHBondContact CA-O 3.33Å; Y490-V556 VanDerWaalsContact CE2-O 3.3Å; Y490-V556 WeakPolarHBondContact CE2-O 3.29Å; Y490-V560 HydrophobicContact CD1-CG1 3.79Å; Y490-V560 HydrophobicContact CD1-CG2 3.89Å; Y490-V560 HydrophobicContact CD2-CG2 3.56Å; Y490-V560 HydrophobicContact CE1-CG1 3.72Å; Y490-V560 HydrophobicContact CE1-CG2 4.06Å; Y490-V560 HydrophobicContact CE2-CG2 3.75Å; Y490-V560 HydrophobicContact CG-CG1 4.37Å; Y490-V560 HydrophobicContact CG-CG2 3.62Å; Y490-I579 HydrophobicContact CE1-CG2 4.25Å; Y490-I579 VanDerWaalsContact OH-CG2 3.29Å; Y490-I579 WeakPolarHBondContact OH-CG2 3.03Å; Y490-F580 PolarHBondContact OH-O 2.83Å; Y490-H581 AromaticContact CE2-ND1 3.88Å; Y490-H581 AromaticContact CZ-ND1 3.99Å; Y490-H581 WeakPolarHBondContact OH-CB 3.48Å; Y490-H581 PolarHBondContact OH-ND1 3.03Å
491	N	94.1	Very high	97.8	Very high	13 Å²	13	19.1 Å²	19.1	7%	0.07	10%	0.101	C	C	.	.	S	Bend	trans	-129.7	-111.5	162.8	50.7	37.3	0	0	0	107.6	V493 E552 T555 V556	N491-V493 VanDerWaalsContact C-N 3.29Å; N491-V493 PolarHBondContact N-O 2.97Å; N491-V493 PolarHBondContact OD1-N 2.83Å; N491-E552 HydrophobicContact CB-CB 4.22Å; N491-T555 VanDerWaalsContact O-CA 3.27Å; N491-T555 WeakPolarHBondContact O-CA 3.44Å; N491-V556 PolarHBondContact O-N 3.06Å
492	K	95.1	Very high	97.7	Very high	79 Å²	79	24.3 Å²	24.3	34%	0.343	13%	0.127	S	C	.	.	S	Bend	trans	-82.2	-8.9	160.4	73.1	-164	177.2	-159	0	113.2	E552 E554 A587	K492-E552 VanDerWaalsContact CE-OE1 3.28Å; K492-E552 WeakPolarHBondContact CE-OE1 3.49Å; K492-E552 VanDerWaalsContact CE-OE2 3.3Å; K492-E552 WeakPolarHBondContact CE-OE2 3.28Å; K492-E552 IonicContact NZ-OE1 2.69Å; K492-E552 PolarHBondContact NZ-OE1 3.36Å; K492-E552 IonicContact NZ-OE2 3.97Å; K492-E552 PolarHBondContact NZ-OE2 3.01Å; K492-E554 PolarHBondContact N-O 3.39Å; K492-A587 HydrophobicContact CB-CB 3.83Å
493	V	97.3	Very high	97.6	Very high	26 Å²	26	24.6 Å²	24.6	16%	0.158	12%	0.124	C	C	.	.	S	Bend	trans	-122.2	152.1	179.2	178.5	0	0	0	0	109.4	Y490 N491 H495 V510 V511 T512	Y490-V493 VanDerWaalsContact CA-O 3.26Å; Y490-V493 WeakPolarHBondContact CA-O 3.33Å; N491-V493 VanDerWaalsContact C-N 3.29Å; N491-V493 PolarHBondContact N-O 2.97Å; N491-V493 PolarHBondContact OD1-N 2.83Å; V493-H495 PolarHBondContact O-CE1 3.27Å; V493-V510 HydrophobicContact CG1-CG1 3.35Å; V493-V511 WeakPolarHBondContact CG1-O 3.4Å; V493-T512 HydrophobicContact CG1-CG2 3.83Å; V493-T512 HydrophobicContact CG2-CG2 4.26Å
494	L	98.5	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.1	175.9	-54.1	-179.8	0	0	0	111.3	F496 V510 V511 V517 V556 V560 A563	L494-F496 HydrophobicContact CB-CE2 4.08Å; L494-F496 HydrophobicContact CD1-CE2 4.29Å; L494-V510 WeakPolarHBondContact O-CA 3.32Å; L494-V511 HydrophobicContact CB-CB 4.39Å; L494-V511 PolarHBondContact N-O 2.88Å; L494-V511 PolarHBondContact O-N 2.99Å; L494-V517 HydrophobicContact CD1-CG1 3.82Å; L494-V556 HydrophobicContact CD2-CG2 4.37Å; L494-V560 HydrophobicContact CD2-CG2 3.84Å; L494-A563 HydrophobicContact CD1-CB 3.85Å
495	H	98.5	Very high	97.2	Very high	16 Å²	16	31.9 Å²	31.9	7%	0.074	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	107.4	176.4	-33.9	75.5	0	0	0	108.8	I488 T489 V493 F497 M508 F547	I488-H495 VanDerWaalsContact CA-O 3.31Å; I488-H495 WeakPolarHBondContact CA-O 2.99Å; I488-H495 WeakPolarHBondContact CG2-O 3.41Å; T489-H495 PolarHBondContact N-O 3.33Å; T489-H495 PolarHBondContact O-N 2.85Å; T489-H495 PolarHBondContact O-ND1 3.16Å; V493-H495 PolarHBondContact O-CE1 3.27Å; H495-F497 HydrophobicContact CB-CE2 4.45Å; H495-F497 HydrophobicContact CB-CZ 4.45Å; H495-F497 WeakPolarHBondContact O-CE2 3.34Å; H495-M508 HydrophobicContact CB-CE 3.83Å; H495-M508 HydrophobicContact CB-CG 4.08Å; H495-M508 HydrophobicContact CB-SD 4.01Å; H495-F547 AromaticContact CE1-CE1 3.9Å; H495-F547 AromaticContact NE2-CE1 3.83Å
496	F	98.6	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	151.2	175.4	-65.7	-104.3	0	0	0	110	I488 L494 M508 M509 V511 V519 P520 L521 F525 A563	I488-F496 HydrophobicContact CD1-CD1 3.62Å; I488-F496 HydrophobicContact CD1-CE1 3.42Å; I488-F496 VanDerWaalsContact CD1-CE1 3.42Å; I488-F496 HydrophobicContact CD1-CG 4.4Å; I488-F496 HydrophobicContact CD1-CZ 4.07Å; I488-F496 HydrophobicContact CG1-CD1 3.87Å; I488-F496 HydrophobicContact CG1-CE1 4.2Å; I488-F496 HydrophobicContact CG1-CG 4.36Å; L494-F496 HydrophobicContact CB-CE2 4.08Å; L494-F496 HydrophobicContact CD1-CE2 4.29Å; F496-M508 CarbonylContact O-C 3.51Å; F496-M508 WeakPolarHBondContact O-CA 3.29Å; F496-M509 PolarHBondContact N-O 2.7Å; F496-M509 PolarHBondContact O-N 3.04Å; F496-V511 HydrophobicContact CD2-CG2 3.89Å; F496-V511 HydrophobicContact CE2-CB 4.13Å; F496-V511 HydrophobicContact CE2-CG2 3.67Å; F496-V519 HydrophobicContact CD1-CG1 4.22Å; F496-V519 HydrophobicContact CE1-CB 4.3Å; F496-V519 HydrophobicContact CE1-CG1 3.8Å; F496-V519 HydrophobicContact CE1-CG2 4.24Å; F496-V519 HydrophobicContact CZ-CG2 4.46Å; F496-P520 HydrophobicContact CB-CG 3.95Å; F496-P520 HydrophobicContact CD1-CG 4.43Å; F496-P520 VanDerWaalsContact CD2-CD 3.45Å; F496-P520 HydrophobicContact CD2-CG 3.64Å; F496-P520 HydrophobicContact CE2-CG 4.18Å; F496-P520 HydrophobicContact CG-CG 3.78Å; F496-L521 HydrophobicContact CB-CD2 3.96Å; F496-F525 HydrophobicContact CD1-CD2 4.26Å; F496-F525 AromaticContact CD1-CE2 3.87Å; F496-F525 HydrophobicContact CD1-CE2 3.87Å; F496-F525 HydrophobicContact CD1-CZ 4.21Å; F496-A563 HydrophobicContact CE1-CB 4.26Å; F496-A563 HydrophobicContact CZ-CB 3.73Å
497	F	98.6	Very high	97.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.3	177.5	-62.7	-83.5	0	0	0	112.3	F487 T489 H495 V499 Q507 M508 L539 I543 M546	F487-F497 HydrophobicContact CB-CD2 4.41Å; F487-F497 PolarHBondContact O-N 2.7Å; T489-F497 HydrophobicContact CG2-CE2 3.89Å; T489-F497 HydrophobicContact CG2-CZ 4.34Å; H495-F497 HydrophobicContact CB-CE2 4.45Å; H495-F497 HydrophobicContact CB-CZ 4.45Å; H495-F497 WeakPolarHBondContact O-CE2 3.34Å; F497-V499 HydrophobicContact CB-CG1 4.41Å; F497-Q507 WeakPolarHBondContact CA-O 3.25Å; F497-M508 HydrophobicContact CD1-CB 4.2Å; F497-M508 HydrophobicContact CE1-CB 3.96Å; F497-M508 HydrophobicContact CE1-CE 3.6Å; F497-M508 HydrophobicContact CE1-CG 4.12Å; F497-M508 HydrophobicContact CZ-CE 3.5Å; F497-L539 HydrophobicContact CB-CD1 4.3Å; F497-L539 HydrophobicContact CB-CD2 3.65Å; F497-L539 HydrophobicContact CD1-CD1 3.31Å; F497-L539 HydrophobicContact CD1-CD2 4.24Å; F497-L539 HydrophobicContact CD1-CG 4.43Å; F497-L539 HydrophobicContact CD2-CD1 4.27Å; F497-L539 HydrophobicContact CD2-CD2 4.21Å; F497-L539 HydrophobicContact CE1-CD1 3.53Å; F497-L539 HydrophobicContact CE2-CD1 4.46Å; F497-L539 HydrophobicContact CG-CD1 3.7Å; F497-L539 HydrophobicContact CG-CD2 3.77Å; F497-L539 HydrophobicContact CG-CG 4.4Å; F497-L539 HydrophobicContact CZ-CD1 4.11Å; F497-I543 HydrophobicContact CE2-CD1 4.24Å; F497-I543 HydrophobicContact CZ-CD1 4.37Å; F497-I543 HydrophobicContact CZ-CG1 4.17Å; F497-M546 HydrophobicContact CE1-SD 4.46Å
498	N	98.3	Very high	97	Very high	22 Å²	22	40.4 Å²	40.4	12%	0.118	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.7	164.5	-173.2	-1.5	0	0	0	108.8	K500 L503 P506 Q507 L521 G524	N498-K500 WeakPolarHBondContact OD1-CB 3.07Å; N498-K500 PolarHBondContact OD1-N 2.92Å; N498-L503 HydrophobicContact CB-CD1 4.31Å; N498-P506 VanDerWaalsContact O-CA 3.31Å; N498-P506 WeakPolarHBondContact O-CA 3.24Å; N498-Q507 HydrophobicContact CB-CB 3.99Å; N498-Q507 HydrophobicContact CB-CG 4.5Å; N498-Q507 PolarHBondContact N-O 3.1Å; N498-Q507 PolarHBondContact ND2-OE1 2.87Å; N498-Q507 PolarHBondContact O-N 3.32Å; N498-Q507 VanDerWaalsContact O-N 3.11Å; N498-L521 HydrophobicContact CB-CD1 3.68Å; N498-G524 WeakPolarHBondContact OD1-CA 3.39Å; N498-G524 PolarHBondContact OD1-O 3.02Å
499	V	97.9	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.			trans	-123.4	27.7	-178.8	-71.1	0	0	0	0	111.6	F487 F497 S501 P506 G524 V527 S532 V535 I536 L539	F487-V499 HydrophobicContact CD2-CG2 4.37Å; F497-V499 HydrophobicContact CB-CG1 4.41Å; V499-S501 PolarHBondContact O-N 2.82Å; V499-P506 HydrophobicContact CG1-CB 4.31Å; V499-G524 PolarHBondContact N-O 3.18Å; V499-V527 HydrophobicContact CG2-CG1 4.2Å; V499-V527 HydrophobicContact CG2-CG2 3.66Å; V499-S532 WeakPolarHBondContact O-CB 3.4Å; V499-S532 PolarHBondContact O-OG 3.01Å; V499-V535 HydrophobicContact CB-CG1 4.39Å; V499-I536 HydrophobicContact CB-CG1 4.08Å; V499-I536 HydrophobicContact CG1-CG1 4.33Å; V499-I536 HydrophobicContact CG2-CG1 4.37Å; V499-L539 HydrophobicContact CG1-CB 4.49Å; V499-L539 HydrophobicContact CG1-CD2 3.59Å
500	K	97.1	Very high	96.9	Very high	69 Å²	69	47.4 Å²	47.4	30%	0.3	26%	0.258	S	S	.	.			trans	-56.1	134.9	179.4	-157.6	170.7	-169.4	170.4	0	111.7	N498 N502 L503 D523	N498-K500 WeakPolarHBondContact OD1-CB 3.07Å; N498-K500 PolarHBondContact OD1-N 2.92Å; K500-N502 WeakPolarHBondContact CG-OD1 3.26Å; K500-N502 PolarHBondContact O-N 3.26Å; K500-L503 HydrophobicContact CB-CD1 4.27Å; K500-L503 HydrophobicContact CB-CG 4.33Å; K500-L503 WeakPolarHBondContact O-CB 3.49Å; K500-L503 WeakPolarHBondContact O-CG 3.3Å; K500-L503 PolarHBondContact O-N 3.33Å; K500-D523 IonicContact NZ-OD2 2.68Å; K500-D523 PolarHBondContact NZ-OD2 2.72Å
501	S	95.3	Very high	96.9	Very high	57 Å²	57	47.6 Å²	47.6	40%	0.399	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-15.3	-173.7	49.3	0	0	0	0	116.5	V499 E531	V499-S501 PolarHBondContact O-N 2.82Å; S501-E531 WeakPolarHBondContact CB-O 3.27Å
502	N	95.1	Very high	96.9	Very high	126 Å²	126	52 Å²	52	67%	0.674	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	6.6	176.4	71	-29	0	0	0	114.6	K500	K500-N502 WeakPolarHBondContact CG-OD1 3.26Å; K500-N502 PolarHBondContact O-N 3.26Å
503	L	95.8	Very high	96.8	Very high	38 Å²	38	52.1 Å²	52.1	20%	0.199	29%	0.291	C	S	.	.			trans	-92.3	144.1	175.3	-61.8	176.7	0	0	0	111.5	N498 K500 Q507 V535	N498-L503 HydrophobicContact CB-CD1 4.31Å; K500-L503 HydrophobicContact CB-CD1 4.27Å; K500-L503 HydrophobicContact CB-CG 4.33Å; K500-L503 WeakPolarHBondContact O-CB 3.49Å; K500-L503 WeakPolarHBondContact O-CG 3.3Å; K500-L503 PolarHBondContact O-N 3.33Å; L503-Q507 HydrophobicContact CD1-CG 4.27Å; L503-V535 HydrophobicContact CB-CG1 4.23Å; L503-V535 VanDerWaalsContact O-CG2 3.22Å; L503-V535 WeakPolarHBondContact O-CG2 3.44Å
504	A	93.8	Very high	96.5	Very high	97 Å²	97	51.9 Å²	51.9	80%	0.802	29%	0.29	S	S	*	.	S	Bend	trans	-86.3	-20.7	168.8	0	0	0	0	0	113	N538	A504-N538 PolarHBondContact O-ND2 3.34Å
505	Q	94.6	Very high	95.9	Very high	121 Å²	121	54.5 Å²	54.5	57%	0.565	32%	0.317	S	S	*	.	S	Bend	trans	-142.8	137.2	-179.2	-172.3	-178.5	5.6	0	0	108.9
506	P	97.5	Very high	95.5	Very high	15 Å²	15	61.2 Å²	61.2	10%	0.097	35%	0.348	C	S	.	.			trans	-63.2	151.8	174.4	28.9	-38.1	0	0	0	111.7	N498 V499 V535 L539	N498-P506 VanDerWaalsContact O-CA 3.31Å; N498-P506 WeakPolarHBondContact O-CA 3.24Å; V499-P506 HydrophobicContact CG1-CB 4.31Å; P506-V535 HydrophobicContact CB-CG1 4.28Å; P506-L539 HydrophobicContact CB-CB 4.11Å; P506-L539 HydrophobicContact CB-CD1 4.14Å; P506-L539 HydrophobicContact CG-CB 3.89Å; P506-L539 HydrophobicContact CG-CD1 4.07Å
507	Q	97.7	Very high	95.1	Very high	97 Å²	97	62.2 Å²	62.2	45%	0.453	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.4	176.5	-49.7	169.3	-26.5	0	0	109.8	F497 N498 L503	F497-Q507 WeakPolarHBondContact CA-O 3.25Å; N498-Q507 HydrophobicContact CB-CB 3.99Å; N498-Q507 HydrophobicContact CB-CG 4.5Å; N498-Q507 PolarHBondContact N-O 3.1Å; N498-Q507 PolarHBondContact ND2-OE1 2.87Å; N498-Q507 PolarHBondContact O-N 3.32Å; N498-Q507 VanDerWaalsContact O-N 3.11Å; L503-Q507 HydrophobicContact CD1-CG 4.27Å
508	M	98	Very high	94.8	Very high	69 Å²	69	67.4 Å²	67.4	34%	0.34	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	138	172.9	-178.8	-174.1	-83.8	0	0	110.8	H495 F496 F497 V510 M546 F547	H495-M508 HydrophobicContact CB-CE 3.83Å; H495-M508 HydrophobicContact CB-CG 4.08Å; H495-M508 HydrophobicContact CB-SD 4.01Å; F496-M508 CarbonylContact O-C 3.51Å; F496-M508 WeakPolarHBondContact O-CA 3.29Å; F497-M508 HydrophobicContact CD1-CB 4.2Å; F497-M508 HydrophobicContact CE1-CB 3.96Å; F497-M508 HydrophobicContact CE1-CE 3.6Å; F497-M508 HydrophobicContact CE1-CG 4.12Å; F497-M508 HydrophobicContact CZ-CE 3.5Å; M508-V510 HydrophobicContact CG-CG2 3.88Å; M508-V510 HydrophobicContact SD-CG2 3.61Å; M508-M546 HydrophobicContact CE-SD 3.32Å; M508-M546 WeakPolarHBondContact CE-SD 3.43Å; M508-F547 HydrophobicContact CE-CE2 4.12Å; M508-F547 HydrophobicContact CE-CZ 3.69Å
509	M	97.7	Very high	94.6	Very high	70 Å²	70	67.9 Å²	67.9	35%	0.345	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.6	169.8	-59.3	-176.4	80.9	0	0	109.3	F496 P520 L521	F496-M509 PolarHBondContact N-O 2.7Å; F496-M509 PolarHBondContact O-N 3.04Å; M509-P520 HydrophobicContact CB-CB 4.21Å; M509-P520 HydrophobicContact CB-CG 3.81Å; M509-P520 HydrophobicContact CE-CB 4.01Å; M509-P520 HydrophobicContact SD-CB 4.35Å; M509-P520 HydrophobicContact SD-CG 4.47Å; M509-L521 HydrophobicContact SD-CB 4.01Å; M509-L521 HydrophobicContact SD-CD1 4.38Å; M509-L521 HydrophobicContact SD-CD2 4.06Å; M509-L521 HydrophobicContact SD-CG 4.36Å
510	V	97.7	Very high	94.3	Very high	78 Å²	78	69.5 Å²	69.5	47%	0.473	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128	-171.4	-173.1	0	0	0	0	110.3	V493 L494 M508 T512	V493-V510 HydrophobicContact CG1-CG1 3.35Å; L494-V510 WeakPolarHBondContact O-CA 3.32Å; M508-V510 HydrophobicContact CG-CG2 3.88Å; M508-V510 HydrophobicContact SD-CG2 3.61Å; V510-T512 HydrophobicContact CG1-CG2 4.32Å
511	V	97.4	Very high	93.9	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.03	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	105.6	177.3	-179.6	0	0	0	0	109	V493 L494 F496 F518 P520	V493-V511 WeakPolarHBondContact CG1-O 3.4Å; L494-V511 HydrophobicContact CB-CB 4.39Å; L494-V511 PolarHBondContact N-O 2.88Å; L494-V511 PolarHBondContact O-N 2.99Å; F496-V511 HydrophobicContact CD2-CG2 3.89Å; F496-V511 HydrophobicContact CE2-CB 4.13Å; F496-V511 HydrophobicContact CE2-CG2 3.67Å; V511-F518 HydrophobicContact CG1-CD1 4.33Å; V511-F518 HydrophobicContact CG1-CE1 4.03Å; V511-F518 HydrophobicContact CG1-CZ 4.39Å; V511-F518 HydrophobicContact CG2-CE2 4.44Å; V511-F518 HydrophobicContact CG2-CZ 4.36Å; V511-P520 HydrophobicContact CG2-CB 4.17Å; V511-P520 HydrophobicContact CG2-CG 3.83Å
512	T	94.7	Very high	93.5	Very high	105 Å²	105	70.4 Å²	70.4	64%	0.644	39%	0.394	S	S	*	.			trans	-89.9	-17.4	178.9	50.1	0	0	0	0	113.6	V493 V510 V514	V493-T512 HydrophobicContact CG1-CG2 3.83Å; V493-T512 HydrophobicContact CG2-CG2 4.26Å; V510-T512 HydrophobicContact CG1-CG2 4.32Å; T512-V514 PolarHBondContact O-N 3.08Å; T512-V514 VanDerWaalsContact O-N 3.07Å
513	D	93.6	Very high	93.2	Very high	82 Å²	82	69.3 Å²	69.3	44%	0.439	39%	0.388	S	S	.	.			trans	-78.7	91.6	171.8	-159.7	-30.2	0	0	0	109.9	G515 E516	D513-G515 VanDerWaalsContact C-N 3.31Å; D513-G515 WeakPolarHBondContact OD1-CA 3.38Å; D513-G515 PolarHBondContact OD1-N 3.23Å; D513-E516 PolarHBondContact OD1-N 3.07Å
514	V	90.8	Very high	92.9	Very high	20 Å²	20	67.8 Å²	67.8	12%	0.121	38%	0.381	C	S	.	.	S	Bend	trans	-88	0.4	174.4	-63.7	0	0	0	0	112.8	T512 V556 P559 A589 P590	T512-V514 PolarHBondContact O-N 3.08Å; T512-V514 VanDerWaalsContact O-N 3.07Å; V514-V556 HydrophobicContact CG1-CG1 4.49Å; V514-V556 HydrophobicContact CG1-CG2 4.38Å; V514-V556 HydrophobicContact CG2-CG1 4.47Å; V514-P559 HydrophobicContact CB-CB 4.35Å; V514-P559 HydrophobicContact CB-CG 4.19Å; V514-A589 HydrophobicContact CB-CB 4.26Å; V514-A589 HydrophobicContact CG2-CB 3.82Å; V514-P590 WeakPolarHBondContact O-CD 3.44Å
515	G	84.8	Confident	93.1	Very high	55 Å²	55	63.3 Å²	63.3	57%	0.567	34%	0.344	S	S	*	.	S	Bend	trans	-85.9	-48.5	172.2	0	0	0	0	0	111.6	D513	D513-G515 VanDerWaalsContact C-N 3.31Å; D513-G515 WeakPolarHBondContact OD1-CA 3.38Å; D513-G515 PolarHBondContact OD1-N 3.23Å
516	E	90.3	Very high	93.3	Very high	158 Å²	158	58.4 Å²	58.4	74%	0.738	32%	0.322	S	S	*	.	S	Bend	trans	-116.6	69.6	177.6	-163.1	169.4	161.1	0	0	110.5	D513 F518	D513-E516 PolarHBondContact OD1-N 3.07Å; E516-F518 PolarHBondContact O-N 2.91Å
517	V	91.7	Very high	93.3	Very high	21 Å²	21	58.3 Å²	58.3	13%	0.127	32%	0.32	C	S	.	.			trans	-63.1	123.8	-175.3	179.2	0	0	0	0	111.8	L494 P559 Q562 A563	L494-V517 HydrophobicContact CD1-CG1 3.82Å; V517-P559 HydrophobicContact CG2-CB 3.74Å; V517-P559 HydrophobicContact CG2-CG 4.46Å; V517-Q562 HydrophobicContact CB-CG 4.13Å; V517-Q562 HydrophobicContact CG1-CG 4.44Å; V517-A563 HydrophobicContact CG1-CB 3.84Å
518	F	91.3	Very high	93.3	Very high	111 Å²	111	55.1 Å²	55.1	49%	0.487	31%	0.307	S	S	.	.			trans	-125.4	162.4	171.5	67.6	-85.5	0	0	0	111.6	V511 E516 P520	V511-F518 HydrophobicContact CG1-CD1 4.33Å; V511-F518 HydrophobicContact CG1-CE1 4.03Å; V511-F518 HydrophobicContact CG1-CZ 4.39Å; V511-F518 HydrophobicContact CG2-CE2 4.44Å; V511-F518 HydrophobicContact CG2-CZ 4.36Å; E516-F518 PolarHBondContact O-N 2.91Å; F518-P520 HydrophobicContact CE2-CB 4.06Å
519	V	93.1	Very high	93.3	Very high	31 Å²	31	52 Å²	52	19%	0.188	29%	0.291	C	S	.	.			trans	-95.4	120.1	175.6	-173.9	0	0	0	0	108.3	F496 L521 E566 A567	F496-V519 HydrophobicContact CD1-CG1 4.22Å; F496-V519 HydrophobicContact CE1-CB 4.3Å; F496-V519 HydrophobicContact CE1-CG1 3.8Å; F496-V519 HydrophobicContact CE1-CG2 4.24Å; F496-V519 HydrophobicContact CZ-CG2 4.46Å; V519-L521 VanDerWaalsContact C-N 3.3Å; V519-L521 VanDerWaalsContact CG1-O 3.28Å; V519-L521 WeakPolarHBondContact CG1-O 3.34Å; V519-L521 PolarHBondContact O-N 2.84Å; V519-E566 HydrophobicContact CG2-CB 3.91Å; V519-A567 HydrophobicContact CG1-CB 4.14Å; V519-A567 HydrophobicContact CG2-CB 3.88Å
520	P	92.3	Very high	93.2	Very high	34 Å²	34	52.5 Å²	52.5	22%	0.221	29%	0.292	C	S	.	.	S	Bend	trans	-81.3	-4.3	-168.1	31.6	-35.5	0	0	0	114.7	F496 M509 V511 F518	F496-P520 HydrophobicContact CB-CG 3.95Å; F496-P520 HydrophobicContact CD1-CG 4.43Å; F496-P520 VanDerWaalsContact CD2-CD 3.45Å; F496-P520 HydrophobicContact CD2-CG 3.64Å; F496-P520 HydrophobicContact CE2-CG 4.18Å; F496-P520 HydrophobicContact CG-CG 3.78Å; M509-P520 HydrophobicContact CB-CB 4.21Å; M509-P520 HydrophobicContact CB-CG 3.81Å; M509-P520 HydrophobicContact CE-CB 4.01Å; M509-P520 HydrophobicContact SD-CB 4.35Å; M509-P520 HydrophobicContact SD-CG 4.47Å; V511-P520 HydrophobicContact CG2-CB 4.17Å; V511-P520 HydrophobicContact CG2-CG 3.83Å; F518-P520 HydrophobicContact CE2-CB 4.06Å
521	L	88.9	Confident	93.2	Very high	26 Å²	26	54.6 Å²	54.6	14%	0.136	30%	0.297	C	S	.	.			trans	-149.8	151.4	177.6	71	166.4	0	0	0	111.1	F496 N498 M509 V519 F525	F496-L521 HydrophobicContact CB-CD2 3.96Å; N498-L521 HydrophobicContact CB-CD1 3.68Å; M509-L521 HydrophobicContact SD-CB 4.01Å; M509-L521 HydrophobicContact SD-CD1 4.38Å; M509-L521 HydrophobicContact SD-CD2 4.06Å; M509-L521 HydrophobicContact SD-CG 4.36Å; V519-L521 VanDerWaalsContact C-N 3.3Å; V519-L521 VanDerWaalsContact CG1-O 3.28Å; V519-L521 WeakPolarHBondContact CG1-O 3.34Å; V519-L521 PolarHBondContact O-N 2.84Å; L521-F525 HydrophobicContact CD1-CB 4Å; L521-F525 HydrophobicContact CD2-CB 4.15Å; L521-F525 HydrophobicContact CG-CB 3.82Å
522	L	86.3	Confident	93.3	Very high	119 Å²	119	54.4 Å²	54.4	62%	0.623	30%	0.296	S	S	*	.	S	Bend	trans	-108.3	-58.9	174.7	-172.1	158.2	0	0	0	109.6
523	D	89.3	Confident	93.4	Very high	103 Å²	103	52.6 Å²	52.6	55%	0.551	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	132.8	171.8	-103.3	37.5	0	0	0	111.3	K500	K500-D523 IonicContact NZ-OD2 2.68Å; K500-D523 PolarHBondContact NZ-OD2 2.72Å
524	G	89.9	Confident	93.6	Very high	6 Å²	6	53 Å²	53	6%	0.062	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-5.4	173.3	0	0	0	0	0	116.1	N498 V499	N498-G524 WeakPolarHBondContact OD1-CA 3.39Å; N498-G524 PolarHBondContact OD1-O 3.02Å; V499-G524 PolarHBondContact N-O 3.18Å
525	F	97.5	Very high	94	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.018	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-48.4	170.9	178.9	-114.3	0	0	0	112.9	I443 V485 G486 F487 I488 F496 L521 A567	I443-F525 HydrophobicContact CD1-CE1 3.98Å; I443-F525 HydrophobicContact CD1-CZ 4.43Å; I443-F525 HydrophobicContact CG1-CE1 4.43Å; I443-F525 HydrophobicContact CG2-CE1 4.44Å; I443-F525 HydrophobicContact CG2-CZ 3.86Å; V485-F525 VanDerWaalsContact O-O 3.14Å; G486-F525 WeakPolarHBondContact CA-O 3.29Å; F487-F525 WeakPolarHBondContact O-CE2 3.42Å; I488-F525 HydrophobicContact CD1-CE2 4.15Å; I488-F525 HydrophobicContact CD1-CZ 3.76Å; I488-F525 HydrophobicContact CG1-CE2 3.67Å; I488-F525 HydrophobicContact CG1-CZ 3.73Å; F496-F525 HydrophobicContact CD1-CD2 4.26Å; F496-F525 AromaticContact CD1-CE2 3.87Å; F496-F525 HydrophobicContact CD1-CE2 3.87Å; F496-F525 HydrophobicContact CD1-CZ 4.21Å; L521-F525 HydrophobicContact CD1-CB 4Å; L521-F525 HydrophobicContact CD2-CB 4.15Å; L521-F525 HydrophobicContact CG-CB 3.82Å; F525-A567 HydrophobicContact CD1-CB 3.97Å; F525-A567 HydrophobicContact CE1-CB 3.53Å
526	L	98.1	Very high	94.6	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	26%	0.257	C	S	.	.	S	Bend	trans	-103.7	101.6	175.3	-59.3	-175.4	0	0	0	109.8	A441 I443 R484 V485 L568 A571	A441-L526 HydrophobicContact CB-CD1 3.81Å; A441-L526 HydrophobicContact CB-CD2 4.11Å; A441-L526 HydrophobicContact CB-CG 4.43Å; I443-L526 HydrophobicContact CD1-CD2 4.16Å; I443-L526 HydrophobicContact CG1-CD2 3.9Å; R484-L526 HydrophobicContact CB-CB 4.18Å; V485-L526 WeakPolarHBondContact O-CA 3.46Å; L526-L568 HydrophobicContact CD1-CD2 4.36Å; L526-A571 HydrophobicContact CD1-CB 3.64Å
527	V	98.3	Very high	95	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.073	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	161.8	-173.8	-59.9	0	0	0	0	111.9	R484 V485 V499 S532 I536	R484-V527 CarbonylContact C-O 3.53Å; R484-V527 VanDerWaalsContact CA-O 3.25Å; R484-V527 WeakPolarHBondContact CA-O 3.08Å; R484-V527 WeakPolarHBondContact CB-O 3.39Å; V485-V527 HydrophobicContact CG2-CG2 4.4Å; V485-V527 PolarHBondContact N-O 3.09Å; V485-V527 PolarHBondContact O-N 3.33Å; V499-V527 HydrophobicContact CG2-CG1 4.2Å; V499-V527 HydrophobicContact CG2-CG2 3.66Å; V527-S532 WeakPolarHBondContact CB-OG 3.45Å; V527-S532 WeakPolarHBondContact CG2-OG 3.31Å; V527-I536 HydrophobicContact CG2-CD1 3.98Å
528	N	98.1	Very high	95.4	Very high	30 Å²	30	45.8 Å²	45.8	16%	0.16	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.1	162.7	-175	-74.6	0	0	0	109	S481 Q530 E531 S532	S481-N528 PolarHBondContact O-ND2 2.88Å; N528-Q530 WeakPolarHBondContact OD1-CB 3.43Å; N528-Q530 PolarHBondContact OD1-N 3.1Å; N528-E531 HydrophobicContact CB-CB 4.18Å; N528-E531 HydrophobicContact CB-CG 3.92Å; N528-E531 PolarHBondContact OD1-N 3.12Å; N528-S532 WeakPolarHBondContact O-CB 3.48Å; N528-S532 PolarHBondContact O-N 3.22Å; N528-S532 PolarHBondContact O-OG 3.33Å
529	Y	97.9	Very high	95.7	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.016	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-45.4	-178	165.2	-104.3	0	0	0	112.7	L469 E470 S532 Q533 I536 H537	L469-Y529 HydrophobicContact CB-CD1 4.05Å; L469-Y529 HydrophobicContact CB-CD2 3.56Å; L469-Y529 HydrophobicContact CB-CE1 3.95Å; L469-Y529 HydrophobicContact CB-CE2 3.42Å; L469-Y529 VanDerWaalsContact CB-CE2 3.42Å; L469-Y529 HydrophobicContact CB-CG 3.87Å; L469-Y529 HydrophobicContact CD1-CD2 3.85Å; L469-Y529 HydrophobicContact CD1-CE2 3.73Å; L469-Y529 HydrophobicContact CD2-CD2 4.47Å; L469-Y529 HydrophobicContact CG-CD2 4.17Å; L469-Y529 HydrophobicContact CG-CE2 4.18Å; E470-Y529 HydrophobicContact CG-CE1 4.41Å; E470-Y529 VanDerWaalsContact OE1-CE1 3.31Å; E470-Y529 WeakPolarHBondContact OE1-CE1 3.38Å; E470-Y529 PolarHBondContact OE1-OH 2.95Å; Y529-S532 CarbonylContact O-C 3.57Å; Y529-S532 PolarHBondContact O-N 3.25Å; Y529-S532 VanDerWaalsContact O-N 3.16Å; Y529-Q533 HydrophobicContact CE2-CG 4.27Å; Y529-Q533 VanDerWaalsContact O-CA 3.29Å; Y529-Q533 WeakPolarHBondContact O-CA 3.27Å; Y529-Q533 PolarHBondContact O-N 3.35Å; Y529-Q533 PolarHBondContact OH-NE2 3.05Å; Y529-I536 HydrophobicContact CD2-CD1 3.84Å; Y529-I536 HydrophobicContact CD2-CG2 4.27Å; Y529-I536 HydrophobicContact CE2-CG2 4.23Å; Y529-H537 AromaticContact CZ-NE2 3.9Å; Y529-H537 PolarHBondContact OH-NE2 3.18Å
530	Q	96.4	Very high	96	Very high	80 Å²	80	39 Å²	39	37%	0.374	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-41.5	-176.1	-63.4	-72.2	-31.8	0	0	111.1	E470 M480 N528 S532	E470-Q530 PolarHBondContact OE2-NE2 2.84Å; M480-Q530 HydrophobicContact SD-CB 3.96Å; M480-Q530 HydrophobicContact SD-CG 4.07Å; N528-Q530 WeakPolarHBondContact OD1-CB 3.43Å; N528-Q530 PolarHBondContact OD1-N 3.1Å; Q530-S532 PolarHBondContact O-N 3.06Å
531	E	97.2	Very high	96.3	Very high	123 Å²	123	41.2 Å²	41.2	58%	0.575	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-29.1	174.4	-65.6	-179.6	179.1	0	0	113.4	S501 N528	S501-E531 WeakPolarHBondContact CB-O 3.27Å; N528-E531 HydrophobicContact CB-CB 4.18Å; N528-E531 HydrophobicContact CB-CG 3.92Å; N528-E531 PolarHBondContact OD1-N 3.12Å
532	S	98	Very high	96.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	12	-169.6	-46.8	0	0	0	0	112.9	V499 V527 N528 Y529 Q530 S534 V535 I536	V499-S532 WeakPolarHBondContact O-CB 3.4Å; V499-S532 PolarHBondContact O-OG 3.01Å; V527-S532 WeakPolarHBondContact CB-OG 3.45Å; V527-S532 WeakPolarHBondContact CG2-OG 3.31Å; N528-S532 WeakPolarHBondContact O-CB 3.48Å; N528-S532 PolarHBondContact O-N 3.22Å; N528-S532 PolarHBondContact O-OG 3.33Å; Y529-S532 CarbonylContact O-C 3.57Å; Y529-S532 PolarHBondContact O-N 3.25Å; Y529-S532 VanDerWaalsContact O-N 3.16Å; Q530-S532 PolarHBondContact O-N 3.06Å; S532-S534 PolarHBondContact O-N 3.42Å; S532-V535 WeakPolarHBondContact O-CB 3.45Å; S532-V535 PolarHBondContact O-N 2.91Å; S532-I536 WeakPolarHBondContact O-CG1 3.19Å; S532-I536 PolarHBondContact O-N 2.83Å
533	Q	98	Very high	97.3	Very high	68 Å²	68	36.9 Å²	36.9	32%	0.318	19%	0.194	S	C	.	.	H	α-helix	trans	-55.4	-46.7	-165.5	-178.4	176.2	6.9	0	0	112.9	E470 Y529 V535 I536 H537	E470-Q533 PolarHBondContact OE1-NE2 3.4Å; Y529-Q533 HydrophobicContact CE2-CG 4.27Å; Y529-Q533 VanDerWaalsContact O-CA 3.29Å; Y529-Q533 WeakPolarHBondContact O-CA 3.27Å; Y529-Q533 PolarHBondContact O-N 3.35Å; Y529-Q533 PolarHBondContact OH-NE2 3.05Å; Q533-V535 VanDerWaalsContact C-N 3.32Å; Q533-V535 PolarHBondContact O-N 3.1Å; Q533-I536 PolarHBondContact O-N 3.45Å; Q533-H537 WeakPolarHBondContact O-CB 3.48Å; Q533-H537 PolarHBondContact O-CD2 3.37Å; Q533-H537 PolarHBondContact O-N 3.17Å
534	S	98	Very high	97.8	Very high	91 Å²	91	32.4 Å²	32.4	64%	0.636	17%	0.17	S	C	*	.	H	α-helix	trans	-61.9	-37.4	178.5	53.1	0	0	0	0	113	S532 N538	S532-S534 PolarHBondContact O-N 3.42Å; S534-N538 WeakPolarHBondContact O-CB 3.33Å; S534-N538 PolarHBondContact O-N 2.91Å; S534-N538 VanDerWaalsContact O-N 3.1Å
535	V	98.4	Very high	98.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-39.1	178.7	-160.4	0	0	0	0	110.9	V499 L503 P506 S532 Q533 L539	V499-V535 HydrophobicContact CB-CG1 4.39Å; L503-V535 HydrophobicContact CB-CG1 4.23Å; L503-V535 VanDerWaalsContact O-CG2 3.22Å; L503-V535 WeakPolarHBondContact O-CG2 3.44Å; P506-V535 HydrophobicContact CB-CG1 4.28Å; S532-V535 WeakPolarHBondContact O-CB 3.45Å; S532-V535 PolarHBondContact O-N 2.91Å; Q533-V535 VanDerWaalsContact C-N 3.32Å; Q533-V535 PolarHBondContact O-N 3.1Å; V535-L539 WeakPolarHBondContact O-CB 3.38Å; V535-L539 PolarHBondContact O-N 2.92Å
536	I	98.7	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-70.6	-43.3	178.5	-67.4	170.2	0	0	0	111.2	L469 V485 F487 V499 V527 Y529 S532 Q533 L539 L540	L469-I536 HydrophobicContact CD1-CG2 3.89Å; V485-I536 HydrophobicContact CG2-CD1 3.89Å; F487-I536 HydrophobicContact CE1-CG2 4.47Å; F487-I536 HydrophobicContact CE2-CB 4.46Å; F487-I536 HydrophobicContact CE2-CD1 4.01Å; F487-I536 HydrophobicContact CE2-CG1 3.92Å; F487-I536 HydrophobicContact CE2-CG2 3.77Å; F487-I536 HydrophobicContact CZ-CG2 3.59Å; V499-I536 HydrophobicContact CB-CG1 4.08Å; V499-I536 HydrophobicContact CG1-CG1 4.33Å; V499-I536 HydrophobicContact CG2-CG1 4.37Å; V527-I536 HydrophobicContact CG2-CD1 3.98Å; Y529-I536 HydrophobicContact CD2-CD1 3.84Å; Y529-I536 HydrophobicContact CD2-CG2 4.27Å; Y529-I536 HydrophobicContact CE2-CG2 4.23Å; S532-I536 WeakPolarHBondContact O-CG1 3.19Å; S532-I536 PolarHBondContact O-N 2.83Å; Q533-I536 PolarHBondContact O-N 3.45Å; I536-L539 WeakPolarHBondContact O-CB 3.47Å; I536-L539 PolarHBondContact O-N 3.49Å; I536-L540 HydrophobicContact CG2-CD1 3.95Å; I536-L540 HydrophobicContact CG2-CG 4.48Å; I536-L540 VanDerWaalsContact O-CG 3.3Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 3.47Å
537	H	98.6	Very high	98.2	Very high	49 Å²	49	40.9 Å²	40.9	23%	0.227	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-47.4	174.9	-80.3	-122.2	0	0	0	110.7	Y529 Q533 L539 L540 D541	Y529-H537 AromaticContact CZ-NE2 3.9Å; Y529-H537 PolarHBondContact OH-NE2 3.18Å; Q533-H537 WeakPolarHBondContact O-CB 3.48Å; Q533-H537 PolarHBondContact O-CD2 3.37Å; Q533-H537 PolarHBondContact O-N 3.17Å; H537-L539 VanDerWaalsContact C-N 3.25Å; H537-L539 PolarHBondContact O-N 3.31Å; H537-L540 CarbonylContact O-C 3.44Å; H537-L540 PolarHBondContact O-N 3.42Å; H537-D541 PolarHBondContact O-N 3.02Å; H537-D541 VanDerWaalsContact O-OD2 3.1Å
538	N	98.4	Very high	98.1	Very high	52 Å²	52	42.7 Å²	42.7	28%	0.278	23%	0.228	S	C	.	.	H	α-helix	trans	-59.4	-32.1	175.6	-169.8	5	0	0	0	112.9	A504 S534 Q542	A504-N538 PolarHBondContact O-ND2 3.34Å; S534-N538 WeakPolarHBondContact O-CB 3.33Å; S534-N538 PolarHBondContact O-N 2.91Å; S534-N538 VanDerWaalsContact O-N 3.1Å; N538-Q542 WeakPolarHBondContact O-CB 3.32Å; N538-Q542 WeakPolarHBondContact O-CG 3.38Å; N538-Q542 PolarHBondContact O-N 3.5Å; N538-Q542 PolarHBondContact O-NE2 2.98Å; N538-Q542 PolarHBondContact OD1-NE2 3.29Å
539	L	98.7	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.1	-47.3	170.2	176.1	60.4	0	0	0	112.2	F487 F497 V499 P506 V535 I536 H537 D541 Q542 I543	F487-L539 HydrophobicContact CB-CD2 3.92Å; F487-L539 HydrophobicContact CD2-CD2 4.24Å; F487-L539 HydrophobicContact CG-CD2 4.1Å; F497-L539 HydrophobicContact CB-CD1 4.3Å; F497-L539 HydrophobicContact CB-CD2 3.65Å; F497-L539 HydrophobicContact CD1-CD1 3.31Å; F497-L539 HydrophobicContact CD1-CD2 4.24Å; F497-L539 HydrophobicContact CD1-CG 4.43Å; F497-L539 HydrophobicContact CD2-CD1 4.27Å; F497-L539 HydrophobicContact CD2-CD2 4.21Å; F497-L539 HydrophobicContact CE1-CD1 3.53Å; F497-L539 HydrophobicContact CE2-CD1 4.46Å; F497-L539 HydrophobicContact CG-CD1 3.7Å; F497-L539 HydrophobicContact CG-CD2 3.77Å; F497-L539 HydrophobicContact CG-CG 4.4Å; F497-L539 HydrophobicContact CZ-CD1 4.11Å; V499-L539 HydrophobicContact CG1-CB 4.49Å; V499-L539 HydrophobicContact CG1-CD2 3.59Å; P506-L539 HydrophobicContact CB-CB 4.11Å; P506-L539 HydrophobicContact CB-CD1 4.14Å; P506-L539 HydrophobicContact CG-CB 3.89Å; P506-L539 HydrophobicContact CG-CD1 4.07Å; V535-L539 WeakPolarHBondContact O-CB 3.38Å; V535-L539 PolarHBondContact O-N 2.92Å; I536-L539 WeakPolarHBondContact O-CB 3.47Å; I536-L539 PolarHBondContact O-N 3.49Å; H537-L539 VanDerWaalsContact C-N 3.25Å; H537-L539 PolarHBondContact O-N 3.31Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.13Å; L539-Q542 PolarHBondContact O-N 2.95Å; L539-Q542 VanDerWaalsContact O-N 3.12Å; L539-I543 HydrophobicContact CD1-CD1 3.77Å; L539-I543 HydrophobicContact CD1-CG1 3.81Å; L539-I543 HydrophobicContact CD2-CD1 4.32Å; L539-I543 HydrophobicContact CG-CD1 3.74Å; L539-I543 HydrophobicContact CG-CG1 4.25Å; L539-I543 WeakPolarHBondContact O-CG1 3.27Å; L539-I543 PolarHBondContact O-N 2.96Å
540	L	98.7	Very high	97.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-24.8	-179.2	-65.3	171.2	0	0	0	112.5	C462 L465 K466 L469 F487 I536 H537 P544	C462-L540 HydrophobicContact CB-CB 4.24Å; C462-L540 HydrophobicContact CB-CD2 4.13Å; C462-L540 WeakPolarHBondContact CB-O 3.43Å; L465-L540 HydrophobicContact CB-CD1 4.1Å; L465-L540 HydrophobicContact CD1-CD2 4.47Å; K466-L540 HydrophobicContact CD-CB 4.38Å; K466-L540 HydrophobicContact CG-CB 3.95Å; K466-L540 HydrophobicContact CG-CD1 3.77Å; L469-L540 HydrophobicContact CD1-CD1 4.12Å; F487-L540 HydrophobicContact CD1-CD2 4.46Å; F487-L540 HydrophobicContact CE1-CD2 4.33Å; I536-L540 HydrophobicContact CG2-CD1 3.95Å; I536-L540 HydrophobicContact CG2-CG 4.48Å; I536-L540 VanDerWaalsContact O-CG 3.3Å; I536-L540 WeakPolarHBondContact O-CG 3.48Å; I536-L540 PolarHBondContact O-N 3.47Å; H537-L540 CarbonylContact O-C 3.44Å; H537-L540 PolarHBondContact O-N 3.42Å; L540-P544 VanDerWaalsContact O-CD 3.3Å; L540-P544 WeakPolarHBondContact O-CD 3.2Å
541	D	98.6	Very high	97.8	Very high	79 Å²	79	51.8 Å²	51.8	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-66.9	-44.4	165.7	-69.6	-45.9	0	0	0	111.5	K466 H537 L539	K466-D541 IonicContact NZ-OD1 3.14Å; K466-D541 PolarHBondContact NZ-OD1 2.96Å; H537-D541 PolarHBondContact O-N 3.02Å; H537-D541 VanDerWaalsContact O-OD2 3.1Å; L539-D541 VanDerWaalsContact C-N 3.29Å; L539-D541 PolarHBondContact O-N 3.13Å
542	Q	98.5	Very high	97.8	Very high	53 Å²	53	49 Å²	49	25%	0.248	27%	0.267	C	S	.	.	H	α-helix	trans	-77.8	-37.5	-174.2	-76.3	175.5	68.2	0	0	114.3	N538 L539 D545 M546	N538-Q542 WeakPolarHBondContact O-CB 3.32Å; N538-Q542 WeakPolarHBondContact O-CG 3.38Å; N538-Q542 PolarHBondContact O-N 3.5Å; N538-Q542 PolarHBondContact O-NE2 2.98Å; N538-Q542 PolarHBondContact OD1-NE2 3.29Å; L539-Q542 PolarHBondContact O-N 2.95Å; L539-Q542 VanDerWaalsContact O-N 3.12Å; Q542-D545 PolarHBondContact O-N 3.26Å; Q542-M546 HydrophobicContact CB-CE 3.84Å; Q542-M546 WeakPolarHBondContact O-CB 3.45Å; Q542-M546 PolarHBondContact O-N 3.26Å
543	I	98.7	Very high	97.7	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-51.9	-48.2	-174	-78.1	167.1	0	0	0	113.5	V458 T489 F497 L539 D545 M546 F547	V458-I543 HydrophobicContact CG1-CG2 3.83Å; T489-I543 HydrophobicContact CG2-CD1 3.91Å; T489-I543 HydrophobicContact CG2-CG1 4.15Å; T489-I543 HydrophobicContact CG2-CG2 3.84Å; F497-I543 HydrophobicContact CE2-CD1 4.24Å; F497-I543 HydrophobicContact CZ-CD1 4.37Å; F497-I543 HydrophobicContact CZ-CG1 4.17Å; L539-I543 HydrophobicContact CD1-CD1 3.77Å; L539-I543 HydrophobicContact CD1-CG1 3.81Å; L539-I543 HydrophobicContact CD2-CD1 4.32Å; L539-I543 HydrophobicContact CG-CD1 3.74Å; L539-I543 HydrophobicContact CG-CG1 4.25Å; L539-I543 WeakPolarHBondContact O-CG1 3.27Å; L539-I543 PolarHBondContact O-N 2.96Å; I543-D545 VanDerWaalsContact C-N 3.31Å; I543-D545 PolarHBondContact O-N 2.54Å; I543-M546 PolarHBondContact O-N 2.87Å; I543-F547 HydrophobicContact CG2-CD2 4.43Å; I543-F547 WeakPolarHBondContact O-CD2 3.43Å; I543-F547 PolarHBondContact O-N 3.46Å
544	P	98.5	Very high	97.6	Very high	8 Å²	8	54.1 Å²	54.1	5%	0.052	29%	0.294	C	S	.	.	H	α-helix	trans	-61.6	-38.2	-177.5	-25.4	36.1	0	0	0	113.6	K459 C462 L540 A548	K459-P544 HydrophobicContact CB-CB 3.88Å; K459-P544 HydrophobicContact CB-CG 4.13Å; K459-P544 HydrophobicContact CD-CB 3.81Å; K459-P544 HydrophobicContact CD-CG 4.37Å; K459-P544 HydrophobicContact CG-CB 3.83Å; K459-P544 HydrophobicContact CG-CG 3.95Å; C462-P544 HydrophobicContact CB-CG 3.86Å; L540-P544 VanDerWaalsContact O-CD 3.3Å; L540-P544 WeakPolarHBondContact O-CD 3.2Å; P544-A548 PolarHBondContact O-N 2.71Å
545	D	98.2	Very high	97.7	Very high	104 Å²	104	49.8 Å²	49.8	56%	0.556	26%	0.264	S	S	*	.	H	α-helix	trans	-84	-33.3	-175.9	-61.5	-2.5	0	0	0	110.5	K459 Q542 I543 F547 A548	K459-D545 IonicContact NZ-OD1 2.75Å; K459-D545 PolarHBondContact NZ-OD1 3.46Å; K459-D545 IonicContact NZ-OD2 2.7Å; Q542-D545 PolarHBondContact O-N 3.26Å; I543-D545 VanDerWaalsContact C-N 3.31Å; I543-D545 PolarHBondContact O-N 2.54Å; D545-F547 PolarHBondContact O-N 2.88Å; D545-A548 WeakPolarHBondContact O-CB 3.19Å; D545-A548 PolarHBondContact O-N 3.47Å
546	M	97.9	Very high	97.7	Very high	83 Å²	83	50 Å²	50	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-26	176.3	-170.4	-175.8	-53	0	0	113.9	F497 M508 Q542 I543	F497-M546 HydrophobicContact CE1-SD 4.46Å; M508-M546 HydrophobicContact CE-SD 3.32Å; M508-M546 WeakPolarHBondContact CE-SD 3.43Å; Q542-M546 HydrophobicContact CB-CE 3.84Å; Q542-M546 WeakPolarHBondContact O-CB 3.45Å; Q542-M546 PolarHBondContact O-N 3.26Å; I543-M546 PolarHBondContact O-N 2.87Å
547	F	98.2	Very high	97.7	Very high	20 Å²	20	50.1 Å²	50.1	9%	0.088	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	12.3	176.7	-64.5	-78.9	0	0	0	113.2	V448 I453 T489 H495 M508 I543 D545 D549 S550	V448-F547 HydrophobicContact CB-CB 4.08Å; V448-F547 HydrophobicContact CB-CD1 4.18Å; V448-F547 HydrophobicContact CB-CD2 4.08Å; V448-F547 HydrophobicContact CB-CG 3.85Å; V448-F547 HydrophobicContact CG1-CD2 4.02Å; V448-F547 HydrophobicContact CG1-CE2 4.46Å; V448-F547 HydrophobicContact CG1-CG 4.29Å; V448-F547 HydrophobicContact CG2-CD1 3.67Å; V448-F547 HydrophobicContact CG2-CD2 4.01Å; V448-F547 HydrophobicContact CG2-CE1 3.76Å; V448-F547 HydrophobicContact CG2-CE2 4.11Å; V448-F547 HydrophobicContact CG2-CG 3.81Å; V448-F547 HydrophobicContact CG2-CZ 3.98Å; I453-F547 HydrophobicContact CD1-CB 3.73Å; I453-F547 WeakPolarHBondContact CD1-O 3.43Å; I453-F547 HydrophobicContact CG1-CB 4.46Å; I453-F547 WeakPolarHBondContact CG1-O 3.26Å; T489-F547 HydrophobicContact CG2-CE2 4.18Å; T489-F547 VanDerWaalsContact OG1-CE2 3.28Å; T489-F547 WeakPolarHBondContact OG1-CE2 3.26Å; T489-F547 VanDerWaalsContact OG1-CZ 3.29Å; T489-F547 WeakPolarHBondContact OG1-CZ 3.46Å; H495-F547 AromaticContact CE1-CE1 3.9Å; H495-F547 AromaticContact NE2-CE1 3.83Å; M508-F547 HydrophobicContact CE-CE2 4.12Å; M508-F547 HydrophobicContact CE-CZ 3.69Å; I543-F547 HydrophobicContact CG2-CD2 4.43Å; I543-F547 WeakPolarHBondContact O-CD2 3.43Å; I543-F547 PolarHBondContact O-N 3.46Å; D545-F547 PolarHBondContact O-N 2.88Å; F547-D549 VanDerWaalsContact C-N 3.34Å; F547-D549 PolarHBondContact O-N 2.79Å; F547-S550 WeakPolarHBondContact O-CB 3.41Å; F547-S550 PolarHBondContact O-N 3.32Å
548	A	97.4	Very high	97.7	Very high	49 Å²	49	48 Å²	48	41%	0.405	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-39.6	-174.5	0	0	0	0	0	113.9	I453 P544 D545 S550	I453-A548 WeakPolarHBondContact CG2-O 3.43Å; P544-A548 PolarHBondContact O-N 2.71Å; D545-A548 WeakPolarHBondContact O-CB 3.19Å; D545-A548 PolarHBondContact O-N 3.47Å; A548-S550 VanDerWaalsContact C-N 3.31Å; A548-S550 PolarHBondContact O-N 3.3Å
549	D	96.5	Very high	97.7	Very high	163 Å²	163	45.7 Å²	45.7	87%	0.872	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	17.7	177.1	-65.1	-53.4	0	0	0	113.2	F547 N551	F547-D549 VanDerWaalsContact C-N 3.34Å; F547-D549 PolarHBondContact O-N 2.79Å; D549-N551 PolarHBondContact O-N 2.71Å; D549-N551 VanDerWaalsContact O-N 3.07Å
550	S	94.5	Very high	97.7	Very high	17 Å²	17	45.7 Å²	45.7	12%	0.119	25%	0.245	C	C	.	.			trans	-64	107.2	178.6	-178.8	0	0	0	0	111.5	V448 Y450 F547 A548 E552	V448-S550 PolarHBondContact O-OG 2.69Å; V448-S550 VanDerWaalsContact O-OG 3.06Å; Y450-S550 WeakPolarHBondContact CB-O 3.38Å; F547-S550 WeakPolarHBondContact O-CB 3.41Å; F547-S550 PolarHBondContact O-N 3.32Å; A548-S550 VanDerWaalsContact C-N 3.31Å; A548-S550 PolarHBondContact O-N 3.3Å; S550-E552 VanDerWaalsContact C-N 3.34Å
551	N	94.9	Very high	97.7	Very high	125 Å²	125	45.7 Å²	45.7	67%	0.668	25%	0.245	S	C	*	.			trans	-96.9	18.8	174.3	-160.8	16.8	0	0	0	112.5	D549 N553	D549-N551 PolarHBondContact O-N 2.71Å; D549-N551 VanDerWaalsContact O-N 3.07Å; N551-N553 PolarHBondContact O-ND2 2.87Å
552	E	96.4	Very high	97.7	Very high	64 Å²	64	44.3 Å²	44.3	30%	0.299	24%	0.236	S	C	.	.			trans	-79.6	121.6	176.8	-71.7	-65.1	173.2	0	0	110.5	S449 Y450 N491 K492 S550	S449-E552 WeakPolarHBondContact CA-O 3.02Å; S449-E552 WeakPolarHBondContact CB-O 3.49Å; Y450-E552 WeakPolarHBondContact CB-O 3.36Å; Y450-E552 PolarHBondContact N-O 3.45Å; N491-E552 HydrophobicContact CB-CB 4.22Å; K492-E552 VanDerWaalsContact CE-OE1 3.28Å; K492-E552 WeakPolarHBondContact CE-OE1 3.49Å; K492-E552 VanDerWaalsContact CE-OE2 3.3Å; K492-E552 WeakPolarHBondContact CE-OE2 3.28Å; K492-E552 IonicContact NZ-OE1 2.69Å; K492-E552 PolarHBondContact NZ-OE1 3.36Å; K492-E552 IonicContact NZ-OE2 3.97Å; K492-E552 PolarHBondContact NZ-OE2 3.01Å; S550-E552 VanDerWaalsContact C-N 3.34Å
553	N	95	Very high	97.7	Very high	91 Å²	91	41.8 Å²	41.8	49%	0.487	22%	0.224	S	C	.	.			trans	-109.5	-14.9	-174.5	-73.6	-91.7	0	0	0	113.3	N551	N551-N553 PolarHBondContact O-ND2 2.87Å
554	E	97.4	Very high	97.7	Very high	85 Å²	85	41.7 Å²	41.7	40%	0.397	22%	0.224	S	C	.	.			trans	-102.8	148.4	175.1	-58.1	-155.8	106.4	0	0	111.3	K492 T586 A587	K492-E554 PolarHBondContact N-O 3.39Å; E554-T586 WeakPolarHBondContact CG-OG1 3.2Å; E554-T586 VanDerWaalsContact OE1-CB 3.26Å; E554-T586 WeakPolarHBondContact OE1-CB 3.36Å; E554-T586 PolarHBondContact OE1-OG1 3.14Å; E554-A587 HydrophobicContact CB-CB 4.07Å
555	T	98.6	Very high	97.7	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.222	C	C	.	.			trans	-137	159.4	-177.8	53.9	0	0	0	0	112.7	N491 H581 P585 T586 A587	N491-T555 VanDerWaalsContact O-CA 3.27Å; N491-T555 WeakPolarHBondContact O-CA 3.44Å; T555-H581 PolarHBondContact OG1-CE1 3.09Å; T555-P585 CarbonylContact O-C 3.57Å; T555-P585 VanDerWaalsContact O-CA 3.26Å; T555-P585 WeakPolarHBondContact O-CA 3.37Å; T555-P585 WeakPolarHBondContact O-CB 3.42Å; T555-T586 PolarHBondContact O-N 3.07Å; T555-A587 WeakPolarHBondContact O-CB 3.36Å; T555-A587 PolarHBondContact O-N 2.91Å
556	V	98.6	Very high	97.7	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.024	21%	0.205	C	C	.	.			trans	-106.5	158	168.2	-64	0	0	0	0	110.5	Y490 N491 L494 V514 P559 V560 A587 A589	Y490-V556 VanDerWaalsContact CE2-O 3.3Å; Y490-V556 WeakPolarHBondContact CE2-O 3.29Å; N491-V556 PolarHBondContact O-N 3.06Å; L494-V556 HydrophobicContact CD2-CG2 4.37Å; V514-V556 HydrophobicContact CG1-CG1 4.49Å; V514-V556 HydrophobicContact CG1-CG2 4.38Å; V514-V556 HydrophobicContact CG2-CG1 4.47Å; V556-P559 HydrophobicContact CB-CB 4.31Å; V556-P559 HydrophobicContact CB-CG 3.99Å; V556-P559 HydrophobicContact CG1-CG 4.48Å; V556-P559 HydrophobicContact CG2-CB 4.08Å; V556-P559 HydrophobicContact CG2-CG 4.31Å; V556-V560 HydrophobicContact CG2-CG2 4.32Å; V556-A587 HydrophobicContact CG1-CB 3.85Å; V556-A589 HydrophobicContact CB-CB 4.34Å; V556-A589 HydrophobicContact CG1-CB 3.49Å; V556-A589 VanDerWaalsContact CG1-CB 3.49Å
557	F	98.8	Very high	97.7	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.013	19%	0.188	C	C	.	.	S	Bend	trans	-136.1	-54.9	-178.4	-176.5	-108	0	0	0	114.2	V560 I561 I579 H581 P585 Y618 L634 L647	F557-V560 VanDerWaalsContact O-CB 3.29Å; F557-V560 WeakPolarHBondContact O-CB 3.49Å; F557-V560 PolarHBondContact O-N 3.42Å; F557-I561 HydrophobicContact CD1-CD1 4.31Å; F557-I561 HydrophobicContact CE1-CD1 3.66Å; F557-I561 HydrophobicContact CZ-CD1 3.77Å; F557-I561 PolarHBondContact O-N 2.83Å; F557-I579 HydrophobicContact CE2-CD1 4.31Å; F557-I579 HydrophobicContact CE2-CG2 4.04Å; F557-H581 AromaticContact CD2-CD2 3.32Å; F557-H581 WeakPolarHBondContact CD2-CD2 3.18Å; F557-H581 AromaticContact CD2-NE2 3.43Å; F557-H581 WeakPolarHBondContact CD2-NE2 3.22Å; F557-H581 AromaticContact CE2-CD2 3.74Å; F557-H581 AromaticContact CG-NE2 3.79Å; F557-P585 HydrophobicContact CB-CB 3.84Å; F557-P585 HydrophobicContact CB-CG 3.77Å; F557-Y618 AromaticContact CD1-CE1 3.79Å; F557-Y618 HydrophobicContact CD1-CE1 3.79Å; F557-Y618 HydrophobicContact CE1-CE1 4.1Å; F557-L634 HydrophobicContact CE2-CD1 3.87Å; F557-L634 HydrophobicContact CE2-CD2 4.2Å; F557-L634 HydrophobicContact CZ-CD1 4.28Å; F557-L634 HydrophobicContact CZ-CD2 3.87Å; F557-L647 HydrophobicContact CB-CD2 4.37Å; F557-L647 HydrophobicContact CD1-CD2 3.39Å; F557-L647 HydrophobicContact CD2-CD2 4.39Å; F557-L647 HydrophobicContact CE1-CB 4.33Å; F557-L647 HydrophobicContact CE1-CD2 3.67Å; F557-L647 HydrophobicContact CG-CD2 3.8Å; F557-L647 HydrophobicContact CZ-CD2 4.29Å
558	A	98.6	Very high	97.7	Very high	6 Å²	6	34 Å²	34	5%	0.05	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-39.5	174.9	0	0	0	0	0	113.4	V560 I561 Q562 Y618 L621	A558-V560 PolarHBondContact O-N 3.07Å; A558-I561 PolarHBondContact O-N 2.98Å; A558-Q562 WeakPolarHBondContact O-CB 3.4Å; A558-Q562 PolarHBondContact O-N 2.84Å; A558-Y618 HydrophobicContact CB-CE1 4.03Å; A558-L621 HydrophobicContact CB-CD2 3.86Å
559	P	98.6	Very high	97.7	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	18%	0.181	C	C	.	.	H	α-helix	trans	-54.1	-33.4	169	-33.8	40.6	0	0	0	115.4	V514 V517 V556 Q562 A563 A589 P590	V514-P559 HydrophobicContact CB-CB 4.35Å; V514-P559 HydrophobicContact CB-CG 4.19Å; V517-P559 HydrophobicContact CG2-CB 3.74Å; V517-P559 HydrophobicContact CG2-CG 4.46Å; V556-P559 HydrophobicContact CB-CB 4.31Å; V556-P559 HydrophobicContact CB-CG 3.99Å; V556-P559 HydrophobicContact CG1-CG 4.48Å; V556-P559 HydrophobicContact CG2-CB 4.08Å; V556-P559 HydrophobicContact CG2-CG 4.31Å; P559-Q562 PolarHBondContact O-N 2.76Å; P559-A563 WeakPolarHBondContact O-CB 3.37Å; P559-A563 PolarHBondContact O-N 2.79Å; P559-A589 HydrophobicContact CG-CB 4.04Å; P559-P590 WeakPolarHBondContact CD-O 3.48Å
560	V	98.8	Very high	97.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-70.2	-45.8	-179.6	-175.9	0	0	0	0	110.4	M445 Y490 L494 V556 F557 A558 A563 G564 I579	M445-V560 HydrophobicContact CB-CG1 3.93Å; M445-V560 HydrophobicContact CE-CG1 3.88Å; M445-V560 WeakPolarHBondContact CE-O 3.3Å; M445-V560 HydrophobicContact CG-CG1 4.37Å; M445-V560 HydrophobicContact SD-CG1 3.55Å; M445-V560 VanDerWaalsContact SD-CG1 3.55Å; Y490-V560 HydrophobicContact CD1-CG1 3.79Å; Y490-V560 HydrophobicContact CD1-CG2 3.89Å; Y490-V560 HydrophobicContact CD2-CG2 3.56Å; Y490-V560 HydrophobicContact CE1-CG1 3.72Å; Y490-V560 HydrophobicContact CE1-CG2 4.06Å; Y490-V560 HydrophobicContact CE2-CG2 3.75Å; Y490-V560 HydrophobicContact CG-CG1 4.37Å; Y490-V560 HydrophobicContact CG-CG2 3.62Å; L494-V560 HydrophobicContact CD2-CG2 3.84Å; V556-V560 HydrophobicContact CG2-CG2 4.32Å; F557-V560 VanDerWaalsContact O-CB 3.29Å; F557-V560 WeakPolarHBondContact O-CB 3.49Å; F557-V560 PolarHBondContact O-N 3.42Å; A558-V560 PolarHBondContact O-N 3.07Å; V560-A563 PolarHBondContact O-N 3.38Å; V560-G564 PolarHBondContact O-N 3.32Å; V560-G564 VanDerWaalsContact O-N 3.13Å; V560-I579 HydrophobicContact CG1-CD1 4.45Å
561	I	98.8	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-42.8	174.8	-66	167.9	0	0	0	110.4	F557 A558 A563 G564 M565 L577 I579 L621 C625 V632 V650	F557-I561 HydrophobicContact CD1-CD1 4.31Å; F557-I561 HydrophobicContact CE1-CD1 3.66Å; F557-I561 HydrophobicContact CZ-CD1 3.77Å; F557-I561 PolarHBondContact O-N 2.83Å; A558-I561 PolarHBondContact O-N 2.98Å; I561-A563 PolarHBondContact O-N 3.18Å; I561-G564 PolarHBondContact O-N 2.86Å; I561-M565 WeakPolarHBondContact O-CB 3.49Å; I561-M565 PolarHBondContact O-N 3.29Å; I561-L577 HydrophobicContact CG2-CD1 4.31Å; I561-I579 HydrophobicContact CD1-CD1 4.27Å; I561-I579 HydrophobicContact CG1-CD1 3.47Å; I561-I579 VanDerWaalsContact CG1-CD1 3.47Å; I561-L621 HydrophobicContact CB-CD2 3.88Å; I561-L621 HydrophobicContact CB-CG 4.39Å; I561-L621 HydrophobicContact CG2-CD1 3.96Å; I561-L621 HydrophobicContact CG2-CD2 3.79Å; I561-L621 HydrophobicContact CG2-CG 3.74Å; I561-C625 VanDerWaalsContact CG2-SG 3.57Å; I561-V632 HydrophobicContact CD1-CG1 4.3Å; I561-V632 HydrophobicContact CG1-CG1 4.22Å; I561-V632 HydrophobicContact CG2-CG2 4.12Å; I561-V650 HydrophobicContact CD1-CB 4.15Å; I561-V650 HydrophobicContact CD1-CG1 4.25Å; I561-V650 HydrophobicContact CD1-CG2 4.39Å; I561-V650 HydrophobicContact CG2-CG1 4.22Å
562	Q	98.6	Very high	97.9	Very high	50 Å²	50	28.6 Å²	28.6	23%	0.234	15%	0.153	C	C	.	.	H	α-helix	trans	-57.7	-47.3	176.5	-175.8	65	25.3	0	0	111.5	V517 A558 P559 G564 M565 E566 L621	V517-Q562 HydrophobicContact CB-CG 4.13Å; V517-Q562 HydrophobicContact CG1-CG 4.44Å; A558-Q562 WeakPolarHBondContact O-CB 3.4Å; A558-Q562 PolarHBondContact O-N 2.84Å; P559-Q562 PolarHBondContact O-N 2.76Å; Q562-G564 PolarHBondContact O-N 2.79Å; Q562-M565 PolarHBondContact O-N 3.13Å; Q562-E566 HydrophobicContact CG-CG 4.47Å; Q562-E566 PolarHBondContact NE2-OE1 2.9Å; Q562-E566 WeakPolarHBondContact O-CB 3.38Å; Q562-E566 WeakPolarHBondContact O-CG 3.26Å; Q562-E566 PolarHBondContact O-N 2.73Å; Q562-L621 HydrophobicContact CB-CD1 4.39Å; Q562-L621 VanDerWaalsContact OE1-CD1 3.23Å
563	A	98.3	Very high	98	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-58.3	-47.1	176.4	0	0	0	0	0	112.8	I488 L494 F496 V517 P559 V560 I561 A567	I488-A563 HydrophobicContact CD1-CB 4.35Å; L494-A563 HydrophobicContact CD1-CB 3.85Å; F496-A563 HydrophobicContact CE1-CB 4.26Å; F496-A563 HydrophobicContact CZ-CB 3.73Å; V517-A563 HydrophobicContact CG1-CB 3.84Å; P559-A563 WeakPolarHBondContact O-CB 3.37Å; P559-A563 PolarHBondContact O-N 2.79Å; V560-A563 PolarHBondContact O-N 3.38Å; I561-A563 PolarHBondContact O-N 3.18Å; A563-A567 WeakPolarHBondContact O-CB 3.4Å; A563-A567 PolarHBondContact O-N 3.35Å
564	G	98.4	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.5	0	0	0	0	0	113	V560 I561 Q562 A567 L568	V560-G564 PolarHBondContact O-N 3.32Å; V560-G564 VanDerWaalsContact O-N 3.13Å; I561-G564 PolarHBondContact O-N 2.86Å; Q562-G564 PolarHBondContact O-N 2.79Å; G564-A567 PolarHBondContact O-N 2.77Å; G564-L568 WeakPolarHBondContact O-CG 3.47Å; G564-L568 PolarHBondContact O-N 2.97Å
565	M	98.4	Very high	98.2	Very high	2 Å²	2	18 Å²	18	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-47.5	178.3	-175.2	-79.2	-65.6	0	0	111.9	I561 Q562 A567 L568 K569 D624 H628 C630	I561-M565 WeakPolarHBondContact O-CB 3.49Å; I561-M565 PolarHBondContact O-N 3.29Å; Q562-M565 PolarHBondContact O-N 3.13Å; M565-A567 VanDerWaalsContact C-N 3.29Å; M565-A567 PolarHBondContact O-N 2.67Å; M565-L568 PolarHBondContact O-N 3.3Å; M565-K569 VanDerWaalsContact O-CB 3.26Å; M565-K569 WeakPolarHBondContact O-CB 3.29Å; M565-K569 PolarHBondContact O-N 2.78Å; M565-K569 HydrophobicContact SD-CD 4.06Å; M565-D624 HydrophobicContact CE-CB 4.04Å; M565-H628 HydrophobicContact CG-CB 4.48Å; M565-H628 HydrophobicContact SD-CB 4.17Å; M565-C630 HydrophobicContact CB-CB 4.41Å; M565-C630 HydrophobicContact CG-CB 4.12Å
566	E	98.2	Very high	98.2	Very high	46 Å²	46	18.2 Å²	18.2	22%	0.215	10%	0.104	C	C	.	.	H	α-helix	trans	-63.2	-33.2	176.4	-71.1	-63.5	147.4	0	0	112.2	V519 Q562 K569 A570	V519-E566 HydrophobicContact CG2-CB 3.91Å; Q562-E566 HydrophobicContact CG-CG 4.47Å; Q562-E566 PolarHBondContact NE2-OE1 2.9Å; Q562-E566 WeakPolarHBondContact O-CB 3.38Å; Q562-E566 WeakPolarHBondContact O-CG 3.26Å; Q562-E566 PolarHBondContact O-N 2.73Å; E566-K569 IonicContact OE1-NZ 2.67Å; E566-K569 PolarHBondContact OE1-NZ 3.47Å; E566-K569 WeakPolarHBondContact OE2-CD 3.5Å; E566-K569 WeakPolarHBondContact OE2-CE 3.35Å; E566-K569 IonicContact OE2-NZ 2.72Å; E566-K569 PolarHBondContact OE2-NZ 3.04Å; E566-A570 VanDerWaalsContact O-CB 3.26Å; E566-A570 WeakPolarHBondContact O-CB 2.96Å; E566-A570 PolarHBondContact O-N 3.35Å
567	A	98.1	Very high	98.2	Very high	4 Å²	4	18 Å²	18	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-42.1	177.1	0	0	0	0	0	112.9	I443 V519 F525 A563 G564 M565 A570 A571	I443-A567 HydrophobicContact CD1-CB 4.12Å; V519-A567 HydrophobicContact CG1-CB 4.14Å; V519-A567 HydrophobicContact CG2-CB 3.88Å; F525-A567 HydrophobicContact CD1-CB 3.97Å; F525-A567 HydrophobicContact CE1-CB 3.53Å; A563-A567 WeakPolarHBondContact O-CB 3.4Å; A563-A567 PolarHBondContact O-N 3.35Å; G564-A567 PolarHBondContact O-N 2.77Å; M565-A567 VanDerWaalsContact C-N 3.29Å; M565-A567 PolarHBondContact O-N 2.67Å; A567-A570 PolarHBondContact O-N 2.99Å; A567-A571 WeakPolarHBondContact O-CB 3.37Å; A567-A571 PolarHBondContact O-N 2.89Å
568	L	98.4	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-43.4	174.5	-68.1	174.1	0	0	0	111.4	A441 I443 L526 G564 M565 A571 D572 C573 L577 C630	A441-L568 HydrophobicContact CB-CD2 3.8Å; I443-L568 HydrophobicContact CD1-CD1 4.46Å; I443-L568 HydrophobicContact CD1-CD2 3.92Å; I443-L568 HydrophobicContact CD1-CG 3.82Å; I443-L568 HydrophobicContact CG1-CD2 4.4Å; L526-L568 HydrophobicContact CD1-CD2 4.36Å; G564-L568 WeakPolarHBondContact O-CG 3.47Å; G564-L568 PolarHBondContact O-N 2.97Å; M565-L568 PolarHBondContact O-N 3.3Å; L568-A571 CarbonylContact O-C 3.58Å; L568-A571 PolarHBondContact O-N 2.81Å; L568-D572 PolarHBondContact O-N 2.9Å; L568-D572 VanDerWaalsContact O-N 3.12Å; L568-C573 CarbonylContact C-O 3.51Å; L568-C573 PolarHBondContact O-N 3.01Å; L568-C573 VanDerWaalsContact O-N 3.1Å; L568-L577 HydrophobicContact CD1-CD2 3.91Å; L568-C630 HydrophobicContact CD1-CB 3.79Å
569	K	97.7	Very high	98.3	Very high	80 Å²	80	17.6 Å²	17.6	35%	0.348	10%	0.1	S	C	.	.	H	α-helix	trans	-62	-41.8	174.9	174.4	-175.6	171.8	-150.2	0	112.6	M565 E566 A571 D572	M565-K569 VanDerWaalsContact O-CB 3.26Å; M565-K569 WeakPolarHBondContact O-CB 3.29Å; M565-K569 PolarHBondContact O-N 2.78Å; M565-K569 HydrophobicContact SD-CD 4.06Å; E566-K569 IonicContact OE1-NZ 2.67Å; E566-K569 PolarHBondContact OE1-NZ 3.47Å; E566-K569 WeakPolarHBondContact OE2-CD 3.5Å; E566-K569 WeakPolarHBondContact OE2-CE 3.35Å; E566-K569 IonicContact OE2-NZ 2.72Å; E566-K569 PolarHBondContact OE2-NZ 3.04Å; K569-A571 VanDerWaalsContact C-N 3.33Å; K569-D572 PolarHBondContact O-N 3.24Å
570	A	97.1	Very high	98.3	Very high	56 Å²	56	17.5 Å²	17.5	46%	0.463	10%	0.099	S	C	.	.	H	α-helix	trans	-66.9	-32.4	175	0	0	0	0	0	112.7	E566 A567 D572	E566-A570 VanDerWaalsContact O-CB 3.26Å; E566-A570 WeakPolarHBondContact O-CB 2.96Å; E566-A570 PolarHBondContact O-N 3.35Å; A567-A570 PolarHBondContact O-N 2.99Å; A570-D572 VanDerWaalsContact C-N 3.28Å
571	A	96.4	Very high	98.3	Very high	22 Å²	22	17.5 Å²	17.5	18%	0.182	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	6.6	174.7	0	0	0	0	0	114.4	L526 A567 L568 K569 C573	L526-A571 HydrophobicContact CD1-CB 3.64Å; A567-A571 WeakPolarHBondContact O-CB 3.37Å; A567-A571 PolarHBondContact O-N 2.89Å; L568-A571 CarbonylContact O-C 3.58Å; L568-A571 PolarHBondContact O-N 2.81Å; K569-A571 VanDerWaalsContact C-N 3.33Å; A571-C573 PolarHBondContact O-N 3.48Å
572	D	96.9	Very high	98.2	Very high	83 Å²	83	17.6 Å²	17.6	44%	0.444	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	42.7	-175.7	-152.6	23	0	0	0	114.2	K433 N438 L568 K569 A570	K433-D572 IonicContact NZ-OD1 3.33Å; K433-D572 PolarHBondContact NZ-OD1 3.28Å; K433-D572 IonicContact NZ-OD2 3.33Å; K433-D572 PolarHBondContact NZ-OD2 3.38Å; N438-D572 PolarHBondContact ND2-O 3.13Å; L568-D572 PolarHBondContact O-N 2.9Å; L568-D572 VanDerWaalsContact O-N 3.12Å; K569-D572 PolarHBondContact O-N 3.24Å; A570-D572 VanDerWaalsContact C-N 3.28Å
573	C	97.8	Very high	98.2	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.041	10%	0.096	C	C	.	.			trans	-132.9	152.4	-179.9	70.6	0	0	0	0	112	N438 P439 R484 L568 A571	N438-C573 HydrophobicContact CB-CB 3.74Å; P439-C573 WeakPolarHBondContact O-CB 3.32Å; R484-C573 PolarHBondContact NH2-SG 2.88Å; L568-C573 CarbonylContact C-O 3.51Å; L568-C573 PolarHBondContact O-N 3.01Å; L568-C573 VanDerWaalsContact O-N 3.1Å; A571-C573 PolarHBondContact O-N 3.48Å
574	P	98.6	Very high	98.2	Very high	13 Å²	13	17.4 Å²	17.4	8%	0.084	10%	0.102	C	C	.	.			trans	-68.6	175.4	165.4	31.4	-34	0	0	0	110.7	N438 P440 A441 G629 F687 D688	N438-P574 WeakPolarHBondContact O-CD 3.47Å; P440-P574 WeakPolarHBondContact CA-O 3.32Å; P440-P574 HydrophobicContact CB-CG 4.17Å; A441-P574 PolarHBondContact N-O 2.65Å; A441-P574 VanDerWaalsContact N-O 3.14Å; P574-G629 WeakPolarHBondContact CA-O 3.24Å; P574-G629 VanDerWaalsContact CB-O 3.31Å; P574-G629 WeakPolarHBondContact CB-O 3.47Å; P574-F687 HydrophobicContact CB-CB 3.93Å; P574-F687 HydrophobicContact CB-CD1 4.35Å; P574-F687 HydrophobicContact CB-CG 4.41Å; P574-F687 HydrophobicContact CG-CB 4.04Å; P574-D688 HydrophobicContact CB-CB 4.43Å
575	G	98.6	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-179.9	175.1	0	0	0	0	0	115.8	A441 G629 S631 F687	A441-G575 CarbonylContact O-C 3.54Å; A441-G575 WeakPolarHBondContact O-CA 3.32Å; G575-G629 PolarHBondContact N-O 2.84Å; G575-S631 PolarHBondContact O-N 3.45Å; G575-F687 WeakPolarHBondContact O-CE1 3.14Å
576	K	98.9	Very high	98.2	Very high	5 Å²	5	19.4 Å²	19.4	2%	0.022	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124	-178.4	-171.9	171	171.1	-178.7	0	110.7	A441 F442 I443 F578 S631 T633 D680 I685 F687	A441-K576 PolarHBondContact O-N 3.43Å; F442-K576 WeakPolarHBondContact CA-O 3.35Å; F442-K576 HydrophobicContact CD1-CB 3.9Å; F442-K576 HydrophobicContact CE1-CB 4.08Å; I443-K576 PolarHBondContact N-O 3.14Å; K576-F578 HydrophobicContact CB-CD2 4.46Å; K576-F578 HydrophobicContact CB-CE2 3.94Å; K576-F578 HydrophobicContact CD-CD2 4.45Å; K576-F578 HydrophobicContact CD-CE1 4.34Å; K576-F578 HydrophobicContact CD-CE2 3.57Å; K576-F578 HydrophobicContact CD-CZ 3.52Å; K576-F578 HydrophobicContact CG-CD2 4.06Å; K576-F578 HydrophobicContact CG-CE2 3.59Å; K576-F578 HydrophobicContact CG-CZ 4.04Å; K576-S631 CarbonylContact C-O 3.07Å; K576-S631 WeakPolarHBondContact CA-O 3.42Å; K576-T633 VanDerWaalsContact CE-OG1 3.25Å; K576-T633 WeakPolarHBondContact CE-OG1 3.41Å; K576-D680 VanDerWaalsContact CE-OD2 3.24Å; K576-D680 WeakPolarHBondContact CE-OD2 3.38Å; K576-D680 PolarHBondContact NZ-O 3.3Å; K576-D680 IonicContact NZ-OD1 2.72Å; K576-D680 IonicContact NZ-OD2 3.16Å; K576-D680 PolarHBondContact NZ-OD2 2.99Å; K576-I685 HydrophobicContact CD-CD1 3.96Å; K576-F687 HydrophobicContact CB-CE1 3.95Å; K576-F687 HydrophobicContact CB-CZ 4.04Å
577	L	98.9	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.2	174	-49.4	-170.1	0	0	0	108.6	I443 M445 I561 L568 I579 C630 S631 V632 T633	I443-L577 HydrophobicContact CB-CD2 3.93Å; I443-L577 HydrophobicContact CD1-CD2 3.88Å; I443-L577 HydrophobicContact CG1-CD2 4.23Å; M445-L577 HydrophobicContact CE-CB 3.76Å; M445-L577 HydrophobicContact CE-CD1 3.64Å; M445-L577 HydrophobicContact CE-CD2 4.05Å; M445-L577 HydrophobicContact CE-CG 4Å; I561-L577 HydrophobicContact CG2-CD1 4.31Å; L568-L577 HydrophobicContact CD1-CD2 3.91Å; L577-I579 HydrophobicContact CB-CG1 4.4Å; L577-C630 VanDerWaalsContact CD1-SG 3.59Å; L577-S631 PolarHBondContact N-O 3.01Å; L577-V632 HydrophobicContact CB-CG1 4.34Å; L577-V632 HydrophobicContact CB-CG2 4.46Å; L577-V632 HydrophobicContact CD1-CG2 3.98Å; L577-V632 HydrophobicContact CG-CG2 4.36Å; L577-T633 PolarHBondContact O-N 2.96Å
578	F	98.9	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	93.8	174.5	-72.2	-99.8	0	0	0	108.2	F442 I443 F444 M445 K576 F580 F635 L677 I681	F442-F578 HydrophobicContact CB-CD2 4.26Å; F442-F578 HydrophobicContact CB-CE2 3.95Å; F442-F578 HydrophobicContact CD1-CE2 4.12Å; F442-F578 HydrophobicContact CD2-CD2 4.5Å; F442-F578 AromaticContact CD2-CE2 3.5Å; F442-F578 HydrophobicContact CD2-CE2 3.5Å; F442-F578 AromaticContact CD2-CZ 3.91Å; F442-F578 HydrophobicContact CD2-CZ 3.91Å; F442-F578 AromaticContact CE2-CE2 3.97Å; F442-F578 HydrophobicContact CE2-CE2 3.97Å; F442-F578 AromaticContact CE2-CZ 3.97Å; F442-F578 HydrophobicContact CE2-CZ 3.97Å; F442-F578 HydrophobicContact CG-CD2 4.39Å; F442-F578 AromaticContact CG-CE2 3.6Å; F442-F578 HydrophobicContact CG-CE2 3.6Å; F442-F578 HydrophobicContact CG-CZ 4.42Å; F442-F578 HydrophobicContact CZ-CE2 4.47Å; I443-F578 PolarHBondContact O-N 3.37Å; F444-F578 HydrophobicContact CD1-CB 3.68Å; F444-F578 HydrophobicContact CD1-CD2 4.32Å; F444-F578 HydrophobicContact CD1-CG 4.02Å; F444-F578 HydrophobicContact CE1-CB 4.02Å; F444-F578 HydrophobicContact CE1-CD1 4.23Å; F444-F578 AromaticContact CE1-CD2 3.94Å; F444-F578 HydrophobicContact CE1-CD2 3.94Å; F444-F578 HydrophobicContact CE1-CE2 4.45Å; F444-F578 AromaticContact CE1-CG 3.82Å; F444-F578 HydrophobicContact CE1-CG 3.82Å; F444-F578 HydrophobicContact CZ-CD2 4.39Å; M445-F578 PolarHBondContact N-O 2.89Å; K576-F578 HydrophobicContact CB-CD2 4.46Å; K576-F578 HydrophobicContact CB-CE2 3.94Å; K576-F578 HydrophobicContact CD-CD2 4.45Å; K576-F578 HydrophobicContact CD-CE1 4.34Å; K576-F578 HydrophobicContact CD-CE2 3.57Å; K576-F578 HydrophobicContact CD-CZ 3.52Å; K576-F578 HydrophobicContact CG-CD2 4.06Å; K576-F578 HydrophobicContact CG-CE2 3.59Å; K576-F578 HydrophobicContact CG-CZ 4.04Å; F578-F580 HydrophobicContact CB-CE2 4.23Å; F578-F580 HydrophobicContact CB-CZ 4.42Å; F578-F580 WeakPolarHBondContact O-CE2 3.35Å; F578-F635 HydrophobicContact CD1-CE2 4.08Å; F578-L677 HydrophobicContact CD1-CD1 4.2Å; F578-I681 HydrophobicContact CD1-CG1 4.37Å; F578-I681 HydrophobicContact CE1-CG1 3.6Å; F578-I681 HydrophobicContact CZ-CG1 3.86Å
579	I	98.9	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.6	-177	-55.4	-179.8	0	0	0	110	M445 Y490 F557 V560 I561 L577 H581 V632 T633 L634 F635	M445-I579 HydrophobicContact CB-CG1 4.3Å; M445-I579 HydrophobicContact CE-CD1 4.02Å; M445-I579 HydrophobicContact CE-CG1 3.87Å; M445-I579 WeakPolarHBondContact O-CA 3.13Å; Y490-I579 HydrophobicContact CE1-CG2 4.25Å; Y490-I579 VanDerWaalsContact OH-CG2 3.29Å; Y490-I579 WeakPolarHBondContact OH-CG2 3.03Å; F557-I579 HydrophobicContact CE2-CD1 4.31Å; F557-I579 HydrophobicContact CE2-CG2 4.04Å; V560-I579 HydrophobicContact CG1-CD1 4.45Å; I561-I579 HydrophobicContact CD1-CD1 4.27Å; I561-I579 HydrophobicContact CG1-CD1 3.47Å; I561-I579 VanDerWaalsContact CG1-CD1 3.47Å; L577-I579 HydrophobicContact CB-CG1 4.4Å; I579-H581 HydrophobicContact CG2-CB 4.35Å; I579-V632 HydrophobicContact CD1-CG1 3.69Å; I579-V632 HydrophobicContact CG1-CG1 4.35Å; I579-T633 PolarHBondContact N-O 3.1Å; I579-L634 HydrophobicContact CB-CD1 3.94Å; I579-L634 HydrophobicContact CG2-CD1 3.78Å; I579-F635 PolarHBondContact O-N 3.06Å
580	F	98.9	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.3	173	-50.6	-92	0	0	0	108.5	F444 M445 I446 D447 I461 Y490 F578 F635 F637 F673 L677	F444-F580 HydrophobicContact CD1-CE2 4.32Å; M445-F580 PolarHBondContact O-N 3.46Å; I446-F580 HydrophobicContact CG1-CD2 3.96Å; I446-F580 HydrophobicContact CG1-CE2 4.47Å; D447-F580 WeakPolarHBondContact CB-O 3.34Å; D447-F580 PolarHBondContact N-O 3.21Å; I461-F580 HydrophobicContact CD1-CB 3.67Å; I461-F580 HydrophobicContact CD1-CD1 3.76Å; I461-F580 HydrophobicContact CD1-CD2 4.28Å; I461-F580 HydrophobicContact CD1-CE1 4.47Å; I461-F580 HydrophobicContact CD1-CG 3.64Å; I461-F580 HydrophobicContact CG1-CD1 4.14Å; I461-F580 HydrophobicContact CG1-CE1 4.41Å; I461-F580 HydrophobicContact CG1-CG 4.41Å; I461-F580 HydrophobicContact CG2-CD2 4.37Å; I461-F580 HydrophobicContact CG2-CE2 4.16Å; I461-F580 HydrophobicContact CG2-CZ 4.23Å; Y490-F580 PolarHBondContact OH-O 2.83Å; F578-F580 HydrophobicContact CB-CE2 4.23Å; F578-F580 HydrophobicContact CB-CZ 4.42Å; F578-F580 WeakPolarHBondContact O-CE2 3.35Å; F580-F635 WeakPolarHBondContact CA-O 3.15Å; F580-F635 HydrophobicContact CD1-CB 3.77Å; F580-F635 HydrophobicContact CD1-CD2 4.03Å; F580-F635 HydrophobicContact CD1-CG 4.01Å; F580-F635 HydrophobicContact CE1-CB 4.3Å; F580-F635 AromaticContact CE1-CD2 3.78Å; F580-F635 HydrophobicContact CE1-CD2 3.78Å; F580-F635 HydrophobicContact CE1-CE2 4.32Å; F580-F635 HydrophobicContact CE1-CG 4.02Å; F580-F635 HydrophobicContact CZ-CD2 4.42Å; F580-F637 HydrophobicContact CB-CE2 4.42Å; F580-F637 HydrophobicContact CD1-CE2 4.44Å; F580-F673 HydrophobicContact CD1-CE2 4.04Å; F580-F673 AromaticContact CD1-CZ 3.99Å; F580-F673 HydrophobicContact CD1-CZ 3.99Å; F580-F673 AromaticContact CE1-CE2 3.84Å; F580-F673 HydrophobicContact CE1-CE2 3.84Å; F580-F673 AromaticContact CE1-CZ 3.78Å; F580-F673 HydrophobicContact CE1-CZ 3.78Å; F580-L677 HydrophobicContact CE1-CD1 3.78Å; F580-L677 HydrophobicContact CE1-CD2 3.91Å; F580-L677 HydrophobicContact CE1-CG 4.45Å; F580-L677 HydrophobicContact CZ-CD1 3.76Å; F580-L677 HydrophobicContact CZ-CD2 4.04Å
581	H	98.9	Very high	98.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	141.6	-168.4	-165.2	32.5	0	0	0	111.4	D447 Y490 T555 F557 I579 S583 L634 F635 L636 F637	D447-H581 IonicContact OD2-CE1 2.72Å; D447-H581 IonicContact OD2-CG 3.16Å; D447-H581 IonicContact OD2-ND1 2.81Å; D447-H581 PolarHBondContact OD2-ND1 2.67Å; Y490-H581 AromaticContact CE2-ND1 3.88Å; Y490-H581 AromaticContact CZ-ND1 3.99Å; Y490-H581 WeakPolarHBondContact OH-CB 3.48Å; Y490-H581 PolarHBondContact OH-ND1 3.03Å; T555-H581 PolarHBondContact OG1-CE1 3.09Å; F557-H581 AromaticContact CD2-CD2 3.32Å; F557-H581 WeakPolarHBondContact CD2-CD2 3.18Å; F557-H581 AromaticContact CD2-NE2 3.43Å; F557-H581 WeakPolarHBondContact CD2-NE2 3.22Å; F557-H581 AromaticContact CE2-CD2 3.74Å; F557-H581 AromaticContact CG-NE2 3.79Å; I579-H581 HydrophobicContact CG2-CB 4.35Å; H581-S583 PolarHBondContact NE2-O 2.71Å; H581-L634 HydrophobicContact CB-CD1 3.85Å; H581-F635 PolarHBondContact N-O 3.22Å; H581-L636 HydrophobicContact CB-CD1 4.14Å; H581-L636 WeakPolarHBondContact O-CA 3.32Å; H581-F637 PolarHBondContact O-N 2.85Å
582	S	98.1	Very high	98.2	Very high	2 Å²	2	24 Å²	24	1%	0.014	13%	0.134	C	C	.	.			trans	-97.6	-49.2	-177.9	69.5	0	0	0	0	114.6	D447 S451 N452 F637 P638	D447-S582 PolarHBondContact OD2-N 3.15Å; D447-S582 VanDerWaalsContact OD2-N 3.14Å; S451-S582 WeakPolarHBondContact CB-OG 3.4Å; N452-S582 WeakPolarHBondContact OD1-CB 3.41Å; S582-F637 CarbonylContact O-C 3.38Å; S582-P638 WeakPolarHBondContact O-CA 3.15Å
583	S	97.9	Very high	98.2	Very high	24 Å²	24	20 Å²	20	17%	0.168	11%	0.113	C	C	.	.	S	Bend	trans	-132.7	169	-152.5	-58	0	0	0	0	112.2	H581 P585	H581-S583 PolarHBondContact NE2-O 2.71Å; S583-P585 WeakPolarHBondContact O-CD 3.34Å
584	L	98.5	Very high	98.2	Very high	23 Å²	23	26.7 Å²	26.7	12%	0.12	14%	0.141	C	C	.	.			trans	-60.3	124.7	174.3	-170.2	75.8	0	0	0	110.3	T586 L593 N595 Y641 V642 D643	L584-T586 HydrophobicContact CD2-CG2 4.16Å; L584-T586 HydrophobicContact CG-CG2 4.39Å; L584-T586 PolarHBondContact O-N 2.69Å; L584-L593 HydrophobicContact CD1-CB 3.67Å; L584-L593 HydrophobicContact CD1-CD1 4.03Å; L584-L593 HydrophobicContact CG-CB 4.06Å; L584-N595 HydrophobicContact CD2-CB 4.4Å; L584-Y641 HydrophobicContact CD1-CE1 4.41Å; L584-V642 VanDerWaalsContact CD1-C 3.49Å; L584-V642 WeakPolarHBondContact CD1-O 3.29Å; L584-D643 HydrophobicContact CD1-CB 3.81Å
585	P	98.3	Very high	98	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.013	17%	0.166	C	C	.	.			trans	-74.6	97.9	179.2	29	-35.9	0	0	0	111.3	T555 F557 S583 L593 L647	T555-P585 CarbonylContact O-C 3.57Å; T555-P585 VanDerWaalsContact O-CA 3.26Å; T555-P585 WeakPolarHBondContact O-CA 3.37Å; T555-P585 WeakPolarHBondContact O-CB 3.42Å; F557-P585 HydrophobicContact CB-CB 3.84Å; F557-P585 HydrophobicContact CB-CG 3.77Å; S583-P585 WeakPolarHBondContact O-CD 3.34Å; P585-L593 HydrophobicContact CG-CB 4.39Å; P585-L593 HydrophobicContact CG-CD1 3.95Å; P585-L593 HydrophobicContact CG-CG 4.05Å; P585-L593 PolarHBondContact O-N 3.22Å; P585-L647 HydrophobicContact CG-CD2 3.92Å
586	T	98.3	Very high	97.7	Very high	41 Å²	41	33.7 Å²	33.7	25%	0.252	18%	0.175	S	C	.	.			trans	-97.7	-11	-177	58.4	0	0	0	0	114.9	E554 T555 L584 K592	E554-T586 WeakPolarHBondContact CG-OG1 3.2Å; E554-T586 VanDerWaalsContact OE1-CB 3.26Å; E554-T586 WeakPolarHBondContact OE1-CB 3.36Å; E554-T586 PolarHBondContact OE1-OG1 3.14Å; T555-T586 PolarHBondContact O-N 3.07Å; L584-T586 HydrophobicContact CD2-CG2 4.16Å; L584-T586 HydrophobicContact CG-CG2 4.39Å; L584-T586 PolarHBondContact O-N 2.69Å; T586-K592 WeakPolarHBondContact O-CD 3.43Å; T586-K592 WeakPolarHBondContact O-CE 3.05Å; T586-K592 PolarHBondContact O-NZ 2.62Å
587	A	97.9	Very high	97	Very high	8 Å²	8	35.4 Å²	35.4	7%	0.066	18%	0.184	C	C	.	.	S	Bend	trans	-61.8	149.8	-179.1	0	0	0	0	0	111.8	K492 E554 T555 V556 A589 K592	K492-A587 HydrophobicContact CB-CB 3.83Å; E554-A587 HydrophobicContact CB-CB 4.07Å; T555-A587 WeakPolarHBondContact O-CB 3.36Å; T555-A587 PolarHBondContact O-N 2.91Å; V556-A587 HydrophobicContact CG1-CB 3.85Å; A587-A589 PolarHBondContact O-N 2.65Å; A587-K592 WeakPolarHBondContact O-CB 3.2Å; A587-K592 WeakPolarHBondContact O-CD 3.34Å
588	E	97.7	Very high	96.2	Very high	156 Å²	156	38.3 Å²	38.3	73%	0.729	20%	0.2	S	C	*	.	S	Bend	trans	-70.6	94.7	178.6	-64.2	-62.2	169.5	0	0	111.5	K592	E588-K592 IonicContact OE1-NZ 2.66Å; E588-K592 PolarHBondContact OE1-NZ 3.46Å; E588-K592 WeakPolarHBondContact OE2-CD 3.35Å; E588-K592 IonicContact OE2-NZ 3.53Å; E588-K592 PolarHBondContact OE2-NZ 2.7Å
589	A	97.3	Very high	95.2	Very high	20 Å²	20	43.6 Å²	43.6	17%	0.165	22%	0.222	C	C	.	.	S	Bend	trans	-153.4	166.5	177.8	0	0	0	0	0	110.7	V514 V556 P559 A587 G591 K592	V514-A589 HydrophobicContact CB-CB 4.26Å; V514-A589 HydrophobicContact CG2-CB 3.82Å; V556-A589 HydrophobicContact CB-CB 4.34Å; V556-A589 HydrophobicContact CG1-CB 3.49Å; V556-A589 VanDerWaalsContact CG1-CB 3.49Å; P559-A589 HydrophobicContact CG-CB 4.04Å; A587-A589 PolarHBondContact O-N 2.65Å; A589-G591 PolarHBondContact O-N 3.19Å; A589-K592 WeakPolarHBondContact O-CB 3.49Å; A589-K592 PolarHBondContact O-N 2.9Å; A589-K592 VanDerWaalsContact O-N 3.12Å
590	P	97.3	Very high	94.3	Very high	61 Å²	61	51.7 Å²	51.7	40%	0.396	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	133.2	165.9	-25.2	35.6	0	0	0	111	V514 P559 K592	V514-P590 WeakPolarHBondContact O-CD 3.44Å; P559-P590 WeakPolarHBondContact CD-O 3.48Å; P590-K592 VanDerWaalsContact C-N 3.35Å; P590-K592 PolarHBondContact O-N 3.05Å
591	G	97.1	Very high	93.3	Very high	7 Å²	7	53.5 Å²	53.5	7%	0.072	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	4	-179.4	0	0	0	0	0	116.1	A589 L593 Y618	A589-G591 PolarHBondContact O-N 3.19Å; G591-L593 PolarHBondContact O-N 2.83Å; G591-Y618 WeakPolarHBondContact O-CE2 3.42Å; G591-Y618 PolarHBondContact O-OH 3.08Å
592	K	98.2	Very high	92.3	Very high	52 Å²	52	54.3 Å²	54.3	23%	0.226	27%	0.272	C	S	.	.			trans	-43.7	131.5	169.7	173.7	171.7	178.7	144.5	0	111.7	T586 A587 E588 A589 P590	T586-K592 WeakPolarHBondContact O-CD 3.43Å; T586-K592 WeakPolarHBondContact O-CE 3.05Å; T586-K592 PolarHBondContact O-NZ 2.62Å; A587-K592 WeakPolarHBondContact O-CB 3.2Å; A587-K592 WeakPolarHBondContact O-CD 3.34Å; E588-K592 IonicContact OE1-NZ 2.66Å; E588-K592 PolarHBondContact OE1-NZ 3.46Å; E588-K592 WeakPolarHBondContact OE2-CD 3.35Å; E588-K592 IonicContact OE2-NZ 3.53Å; E588-K592 PolarHBondContact OE2-NZ 2.7Å; A589-K592 WeakPolarHBondContact O-CB 3.49Å; A589-K592 PolarHBondContact O-N 2.9Å; A589-K592 VanDerWaalsContact O-N 3.12Å; P590-K592 VanDerWaalsContact C-N 3.35Å; P590-K592 PolarHBondContact O-N 3.05Å
593	L	98.1	Very high	91.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.302	C	S	.	.			trans	-107.8	147.5	178.8	-60	-177	0	0	0	111.1	L584 P585 G591 Q614 Y618 D643 L647	L584-L593 HydrophobicContact CD1-CB 3.67Å; L584-L593 HydrophobicContact CD1-CD1 4.03Å; L584-L593 HydrophobicContact CG-CB 4.06Å; P585-L593 HydrophobicContact CG-CB 4.39Å; P585-L593 HydrophobicContact CG-CD1 3.95Å; P585-L593 HydrophobicContact CG-CG 4.05Å; P585-L593 PolarHBondContact O-N 3.22Å; G591-L593 PolarHBondContact O-N 2.83Å; L593-Q614 HydrophobicContact CD2-CB 3.79Å; L593-Q614 HydrophobicContact CD2-CG 4.06Å; L593-Y618 HydrophobicContact CD2-CE2 3.88Å; L593-D643 HydrophobicContact CD1-CB 4.19Å; L593-L647 HydrophobicContact CD1-CD2 3.76Å; L593-L647 HydrophobicContact CD1-CG 4.09Å
594	K	96.9	Very high	90.7	Very high	146 Å²	146	61.3 Å²	61.3	64%	0.635	31%	0.309	S	S	*	.			trans	-109.5	152.4	172.8	-63.9	179.8	-179	178.3	0	109.5	R596 Q614	K594-R596 PolarHBondContact O-N 3.12Å; K594-Q614 PolarHBondContact O-NE2 2.91Å; K594-Q614 PolarHBondContact O-OE1 3.16Å
595	N	94.9	Very high	90.2	Very high	114 Å²	114	64.4 Å²	64.4	61%	0.61	33%	0.326	S	S	*	.			trans	-69.1	116.5	167.9	-169.2	-28.6	0	0	0	108.5	L584 Y641	L584-N595 HydrophobicContact CD2-CB 4.4Å; N595-Y641 HydrophobicContact CB-CD1 4.24Å; N595-Y641 WeakPolarHBondContact OD1-CD1 3.29Å
596	R	91.3	Very high	89.8	Confident	46 Å²	46	70.4 Å²	70.4	17%	0.174	35%	0.352	C	S	.	.			trans	-132.1	18.5	-170.1	66.5	155	174.4	173.3	0.6	113.8	K594 D598 I609 Q612 Q614 Y641 D643	K594-R596 PolarHBondContact O-N 3.12Å; R596-D598 PolarHBondContact O-N 2.89Å; R596-I609 PolarHBondContact NH1-O 3.35Å; R596-Q612 VanDerWaalsContact CZ-O 3.28Å; R596-Q612 PolarHBondContact NH1-O 3.39Å; R596-Q612 PolarHBondContact NH2-O 3.35Å; R596-Q614 HydrophobicContact CG-CG 4.37Å; R596-Q614 VanDerWaalsContact CZ-CG 3.41Å; R596-Q614 VanDerWaalsContact NE-CG 3.29Å; R596-Y641 HydrophobicContact CG-CE1 4.47Å; R596-Y641 WeakPolarHBondContact CG-OH 3.49Å; R596-D643 IonicContact CZ-OD1 3.5Å; R596-D643 IonicContact CZ-OD2 3.57Å; R596-D643 IonicContact NE-OD1 2.74Å; R596-D643 PolarHBondContact NE-OD1 3.04Å; R596-D643 VanDerWaalsContact NE-OD1 3.16Å; R596-D643 IonicContact NE-OD2 3.61Å; R596-D643 PolarHBondContact NE-OD2 3.12Å; R596-D643 VanDerWaalsContact NH2-CG 3.29Å; R596-D643 IonicContact NH2-OD1 3.42Å; R596-D643 PolarHBondContact NH2-OD1 3.35Å; R596-D643 IonicContact NH2-OD2 2.71Å; R596-D643 PolarHBondContact NH2-OD2 2.99Å
597	D	84	Confident	89.5	Confident	41 Å²	41	68.6 Å²	68.6	22%	0.219	34%	0.341	C	S	.	.			trans	-72.1	64.4	-176.4	-167.3	46.1	0	0	0	112.1	K599 Y641 T863	D597-K599 PolarHBondContact O-N 3.39Å; D597-K599 VanDerWaalsContact O-N 3.1Å; D597-Y641 HydrophobicContact CB-CD2 4.09Å; D597-Y641 HydrophobicContact CB-CE2 4.03Å; D597-Y641 HydrophobicContact CB-CG 4.5Å; D597-T863 WeakPolarHBondContact OD1-CB 3.39Å; D597-T863 PolarHBondContact OD1-OG1 2.9Å
598	D	82.1	Confident	89.2	Confident	61 Å²	61	70.3 Å²	70.3	33%	0.326	35%	0.347	S	S	.	.			trans	-79	95.9	179.3	-171.8	4.6	0	0	0	110.9	R596 K600 L601	R596-D598 PolarHBondContact O-N 2.89Å; D598-K600 PolarHBondContact O-N 2.87Å; D598-K600 WeakPolarHBondContact OD1-CB 3.47Å; D598-K600 WeakPolarHBondContact OD1-CD 3.42Å; D598-K600 WeakPolarHBondContact OD1-CG 3.43Å; D598-K600 PolarHBondContact OD1-N 2.78Å; D598-L601 HydrophobicContact CB-CD1 4.25Å; D598-L601 HydrophobicContact CB-CG 4.14Å; D598-L601 WeakPolarHBondContact O-CB 3.49Å; D598-L601 PolarHBondContact O-N 3.13Å
599	K	78.5	Confident	89.1	Confident	110 Å²	110	66.4 Å²	66.4	48%	0.478	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-56.3	-14.9	176.2	-58.4	-168.1	174	-154.6	0	113.9	D597 L601 P859	D597-K599 PolarHBondContact O-N 3.39Å; D597-K599 VanDerWaalsContact O-N 3.1Å; K599-L601 VanDerWaalsContact C-N 3.28Å; K599-L601 PolarHBondContact O-N 2.84Å; K599-P859 HydrophobicContact CD-CB 4.18Å; K599-P859 PolarHBondContact NZ-O 3.19Å
600	K	79.9	Confident	88.9	Confident	170 Å²	170	65.5 Å²	65.5	74%	0.739	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-72	-17.6	172.8	-57.8	165.8	-168.3	159.7	0	113.6	D598 T604	D598-K600 PolarHBondContact O-N 2.87Å; D598-K600 WeakPolarHBondContact OD1-CB 3.47Å; D598-K600 WeakPolarHBondContact OD1-CD 3.42Å; D598-K600 WeakPolarHBondContact OD1-CG 3.43Å; D598-K600 PolarHBondContact OD1-N 2.78Å; K600-T604 WeakPolarHBondContact O-CG2 3.46Å
601	L	79	Confident	88.8	Confident	39 Å²	39	62.8 Å²	62.8	20%	0.204	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-81.6	-18.3	178.1	-57.8	-179	0	0	0	112.5	D598 K599 T604 K606 E607 L610	D598-L601 HydrophobicContact CB-CD1 4.25Å; D598-L601 HydrophobicContact CB-CG 4.14Å; D598-L601 WeakPolarHBondContact O-CB 3.49Å; D598-L601 PolarHBondContact O-N 3.13Å; K599-L601 VanDerWaalsContact C-N 3.28Å; K599-L601 PolarHBondContact O-N 2.84Å; L601-T604 WeakPolarHBondContact O-CB 3.44Å; L601-T604 PolarHBondContact O-N 2.88Å; L601-T604 VanDerWaalsContact O-N 3.12Å; L601-T604 PolarHBondContact O-OG1 3.26Å; L601-K606 HydrophobicContact CD2-CB 4.01Å; L601-E607 WeakPolarHBondContact O-CA 3.45Å; L601-E607 WeakPolarHBondContact O-CB 3.37Å; L601-E607 PolarHBondContact O-N 2.77Å; L601-L610 HydrophobicContact CB-CD1 4.17Å; L601-L610 HydrophobicContact CB-CG 4.41Å; L601-L610 HydrophobicContact CD1-CD2 4.17Å; L601-L610 HydrophobicContact CD1-CG 4.39Å
602	V	77.4	Confident	88.8	Confident	17 Å²	17	65.6 Å²	65.6	10%	0.103	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	137	177.1	-177.4	0	0	0	0	110.2	T604 L610 S857	V602-T604 VanDerWaalsContact C-N 3.28Å; V602-T604 PolarHBondContact O-N 3.09Å; V602-L610 HydrophobicContact CG2-CD1 4.14Å; V602-S857 VanDerWaalsContact CG1-C 3.48Å
603	N	76.9	Confident	88.8	Confident	121 Å²	121	64.5 Å²	64.5	65%	0.647	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	10.6	-167.6	-61.2	-87.8	0	0	0	115.6	E607 S857	N603-E607 PolarHBondContact N-OE2 2.7Å; N603-S857 VanDerWaalsContact ND2-CB 3.34Å; N603-S857 WeakPolarHBondContact ND2-CB 3.4Å; N603-S857 PolarHBondContact ND2-O 2.86Å; N603-S857 WeakPolarHBondContact OD1-CB 3.27Å
604	T	86.2	Confident	88.7	Confident	51 Å²	51	66.9 Å²	66.9	31%	0.313	33%	0.325	S	S	.	.	S	Bend	trans	-109.2	163.4	177.1	80	0	0	0	0	112.2	K600 L601 V602 K606 E607	K600-T604 WeakPolarHBondContact O-CG2 3.46Å; L601-T604 WeakPolarHBondContact O-CB 3.44Å; L601-T604 PolarHBondContact O-N 2.88Å; L601-T604 VanDerWaalsContact O-N 3.12Å; L601-T604 PolarHBondContact O-OG1 3.26Å; V602-T604 VanDerWaalsContact C-N 3.28Å; V602-T604 PolarHBondContact O-N 3.09Å; T604-K606 PolarHBondContact O-N 3.49Å; T604-K606 VanDerWaalsContact O-N 3.14Å; T604-K606 PolarHBondContact OG1-N 3.37Å; T604-K606 VanDerWaalsContact OG1-N 3.1Å; T604-E607 WeakPolarHBondContact O-CB 3.37Å; T604-E607 PolarHBondContact O-N 2.89Å; T604-E607 PolarHBondContact OG1-N 3.29Å
605	D	87.4	Confident	88.6	Confident	88 Å²	88	62 Å²	62	47%	0.471	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-59.6	-21.9	169.6	179.7	61.4	0	0	0	112.9	E607 K608 P801	D605-E607 VanDerWaalsContact C-N 3.3Å; D605-K608 VanDerWaalsContact O-CD 3.27Å; D605-K608 WeakPolarHBondContact O-CD 3.23Å; D605-K608 WeakPolarHBondContact O-CE 3.38Å; D605-K608 WeakPolarHBondContact O-CG 3.29Å; D605-K608 PolarHBondContact O-NZ 2.74Å; D605-K608 IonicContact OD1-NZ 2.79Å; D605-K608 PolarHBondContact OD1-NZ 2.87Å; D605-K608 IonicContact OD2-NZ 3.72Å; D605-K608 PolarHBondContact OD2-NZ 3.36Å; D605-P801 HydrophobicContact CB-CG 4.26Å; D605-P801 WeakPolarHBondContact OD1-CG 3.29Å
606	K	90.3	Very high	88.7	Confident	128 Å²	128	62.3 Å²	62.3	56%	0.557	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-82.3	-2.5	175.3	-65.6	-174.5	179	-177.1	0	113.6	L601 T604 K608 I609	L601-K606 HydrophobicContact CD2-CB 4.01Å; T604-K606 PolarHBondContact O-N 3.49Å; T604-K606 VanDerWaalsContact O-N 3.14Å; T604-K606 PolarHBondContact OG1-N 3.37Å; T604-K606 VanDerWaalsContact OG1-N 3.1Å; K606-K608 PolarHBondContact O-N 2.75Å; K606-I609 HydrophobicContact CB-CD1 4.04Å; K606-I609 HydrophobicContact CG-CD1 4.22Å; K606-I609 WeakPolarHBondContact O-CB 3.22Å; K606-I609 WeakPolarHBondContact O-CG1 3.46Å; K606-I609 PolarHBondContact O-N 3.22Å
607	E	90.3	Very high	89	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.019	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-56	-33.6	176.4	-173.4	160.6	-166.8	0	0	111.9	L601 N603 T604 D605 I609 L610 F611 L802 S857 R866	L601-E607 WeakPolarHBondContact O-CA 3.45Å; L601-E607 WeakPolarHBondContact O-CB 3.37Å; L601-E607 PolarHBondContact O-N 2.77Å; N603-E607 PolarHBondContact N-OE2 2.7Å; T604-E607 WeakPolarHBondContact O-CB 3.37Å; T604-E607 PolarHBondContact O-N 2.89Å; T604-E607 PolarHBondContact OG1-N 3.29Å; D605-E607 VanDerWaalsContact C-N 3.3Å; E607-I609 PolarHBondContact O-N 3.38Å; E607-I609 VanDerWaalsContact O-N 3.13Å; E607-L610 WeakPolarHBondContact O-CB 3.48Å; E607-L610 PolarHBondContact O-N 3.05Å; E607-F611 HydrophobicContact CG-CE2 4.36Å; E607-L802 HydrophobicContact CG-CD1 4.47Å; E607-S857 PolarHBondContact OE2-OG 3.44Å; E607-R866 IonicContact OE1-CZ 2.77Å; E607-R866 IonicContact OE1-NH1 2.74Å; E607-R866 PolarHBondContact OE1-NH1 3.03Å; E607-R866 IonicContact OE1-NH2 2.7Å; E607-R866 PolarHBondContact OE1-NH2 3.02Å
608	K	93.4	Very high	89.7	Confident	44 Å²	44	60.9 Å²	60.9	19%	0.191	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-55.5	-27.6	175.4	64.2	-159.4	171.2	-155.5	0	114.7	D605 K606 L610 F611 Q612 V797	D605-K608 VanDerWaalsContact O-CD 3.27Å; D605-K608 WeakPolarHBondContact O-CD 3.23Å; D605-K608 WeakPolarHBondContact O-CE 3.38Å; D605-K608 WeakPolarHBondContact O-CG 3.29Å; D605-K608 PolarHBondContact O-NZ 2.74Å; D605-K608 IonicContact OD1-NZ 2.79Å; D605-K608 PolarHBondContact OD1-NZ 2.87Å; D605-K608 IonicContact OD2-NZ 3.72Å; D605-K608 PolarHBondContact OD2-NZ 3.36Å; K606-K608 PolarHBondContact O-N 2.75Å; K608-L610 VanDerWaalsContact C-N 3.26Å; K608-L610 PolarHBondContact O-N 3.44Å; K608-F611 PolarHBondContact O-N 2.78Å; K608-F611 VanDerWaalsContact O-N 3.1Å; K608-Q612 WeakPolarHBondContact O-CG 3.24Å; K608-Q612 PolarHBondContact O-N 2.72Å; K608-V797 VanDerWaalsContact CB-O 3.24Å; K608-V797 WeakPolarHBondContact CB-O 3.49Å
609	I	94.3	Very high	90.4	Very high	73 Å²	73	60.2 Å²	60.2	37%	0.374	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66.9	-29.5	178.6	-56.9	176	0	0	0	111.1	R596 K606 E607 F611 Q612	R596-I609 PolarHBondContact NH1-O 3.35Å; K606-I609 HydrophobicContact CB-CD1 4.04Å; K606-I609 HydrophobicContact CG-CD1 4.22Å; K606-I609 WeakPolarHBondContact O-CB 3.22Å; K606-I609 WeakPolarHBondContact O-CG1 3.46Å; K606-I609 PolarHBondContact O-N 3.22Å; E607-I609 PolarHBondContact O-N 3.38Å; E607-I609 VanDerWaalsContact O-N 3.13Å; I609-F611 PolarHBondContact O-N 3.47Å; I609-Q612 PolarHBondContact O-N 2.99Å
610	L	93.7	Very high	91.4	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.01	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-68.5	-14.8	175	-62.5	177	0	0	0	113.1	L601 V602 E607 K608 A645 T863	L601-L610 HydrophobicContact CB-CD1 4.17Å; L601-L610 HydrophobicContact CB-CG 4.41Å; L601-L610 HydrophobicContact CD1-CD2 4.17Å; L601-L610 HydrophobicContact CD1-CG 4.39Å; V602-L610 HydrophobicContact CG2-CD1 4.14Å; E607-L610 WeakPolarHBondContact O-CB 3.48Å; E607-L610 PolarHBondContact O-N 3.05Å; K608-L610 VanDerWaalsContact C-N 3.26Å; K608-L610 PolarHBondContact O-N 3.44Å; L610-A645 WeakPolarHBondContact O-CB 3.34Å; L610-T863 HydrophobicContact CB-CG2 3.88Å; L610-T863 WeakPolarHBondContact O-CG2 3.16Å
611	F	95.9	Very high	92.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-108.9	2.8	178.4	-66.4	-85.9	0	0	0	113.6	E607 K608 I609 V797 L798 R866	E607-F611 HydrophobicContact CG-CE2 4.36Å; K608-F611 PolarHBondContact O-N 2.78Å; K608-F611 VanDerWaalsContact O-N 3.1Å; I609-F611 PolarHBondContact O-N 3.47Å; F611-V797 HydrophobicContact CB-CG1 4.03Å; F611-V797 HydrophobicContact CD1-CG1 3.92Å; F611-V797 HydrophobicContact CD2-CG1 3.39Å; F611-V797 HydrophobicContact CE1-CG1 4.14Å; F611-V797 HydrophobicContact CE2-CG1 3.65Å; F611-V797 HydrophobicContact CG-CG1 3.52Å; F611-V797 HydrophobicContact CZ-CG1 4.01Å; F611-L798 WeakPolarHBondContact O-CD2 3.03Å; F611-R866 HydrophobicContact CE1-CB 3.83Å; F611-R866 HydrophobicContact CZ-CB 3.92Å
612	Q	96.6	Very high	93.2	Very high	65 Å²	65	47.9 Å²	47.9	30%	0.304	26%	0.255	S	S	.	.	S	Bend	trans	-106.6	152.7	175.3	-70.1	172.3	-7.1	0	0	109.8	R596 K608 I609 L798	R596-Q612 VanDerWaalsContact CZ-O 3.28Å; R596-Q612 PolarHBondContact NH1-O 3.39Å; R596-Q612 PolarHBondContact NH2-O 3.35Å; K608-Q612 WeakPolarHBondContact O-CG 3.24Å; K608-Q612 PolarHBondContact O-N 2.72Å; I609-Q612 PolarHBondContact O-N 2.99Å; Q612-L798 HydrophobicContact CG-CB 4.29Å; Q612-L798 HydrophobicContact CG-CD2 4.37Å; Q612-L798 PolarHBondContact NE2-O 3.34Å
613	P	97.3	Very high	94.2	Very high	29 Å²	29	51.3 Å²	51.3	19%	0.188	27%	0.268	C	S	.	.			trans	-63.1	156	176.7	30.2	-38.5	0	0	0	112	T615 Y618 D619 S646 L649	P613-T615 VanDerWaalsContact C-N 3.35Å; P613-Y618 HydrophobicContact CB-CD2 4.43Å; P613-D619 WeakPolarHBondContact CG-OD2 3.4Å; P613-S646 WeakPolarHBondContact CA-OG 3.42Å; P613-L649 HydrophobicContact CB-CD2 3.97Å; P613-L649 HydrophobicContact CG-CD2 3.61Å
614	Q	95.4	Very high	95.2	Very high	52 Å²	52	49 Å²	49	24%	0.243	26%	0.255	C	S	.	.	S	Bend	trans	-70.7	-30.8	175	-70.1	-173.1	53	0	0	113.6	L593 K594 R596 D643 S646	L593-Q614 HydrophobicContact CD2-CB 3.79Å; L593-Q614 HydrophobicContact CD2-CG 4.06Å; K594-Q614 PolarHBondContact O-NE2 2.91Å; K594-Q614 PolarHBondContact O-OE1 3.16Å; R596-Q614 HydrophobicContact CG-CG 4.37Å; R596-Q614 VanDerWaalsContact CZ-CG 3.41Å; R596-Q614 VanDerWaalsContact NE-CG 3.29Å; Q614-D643 WeakPolarHBondContact CG-OD2 3.44Å; Q614-D643 PolarHBondContact NE2-OD2 3.17Å; Q614-S646 PolarHBondContact N-OG 3.28Å
615	T	95.9	Very high	95.8	Very high	44 Å²	44	46.5 Å²	46.5	27%	0.27	24%	0.241	S	C	.	.	S	Bend	trans	-136.9	134.7	-169.3	50.5	0	0	0	0	110.5	P613 V617 Y618	P613-T615 VanDerWaalsContact C-N 3.35Å; T615-V617 PolarHBondContact O-N 3.23Å; T615-Y618 PolarHBondContact O-N 2.91Å; T615-Y618 WeakPolarHBondContact OG1-CD2 3.35Å; T615-Y618 WeakPolarHBondContact OG1-CE2 3.38Å
616	N	95.9	Very high	96.4	Very high	120 Å²	120	42.6 Å²	42.6	64%	0.642	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-8.3	-177	-166.3	32.6	0	0	0	113.7	Y618 D619 S620	N616-Y618 PolarHBondContact O-N 3.32Å; N616-D619 PolarHBondContact O-N 2.85Å; N616-S620 PolarHBondContact O-N 2.88Å
617	V	97.9	Very high	96.7	Very high	55 Å²	55	38.7 Å²	38.7	33%	0.333	21%	0.212	S	C	.	.	H	α-helix	trans	-64.6	-29.2	176.6	-53.6	0	0	0	0	112	T615 S620 L621	T615-V617 PolarHBondContact O-N 3.23Å; V617-S620 PolarHBondContact O-N 3.17Å; V617-L621 WeakPolarHBondContact O-CB 3.4Å; V617-L621 PolarHBondContact O-N 3.12Å
618	Y	98.5	Very high	97.1	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-70.1	-37	179.5	-70.6	-73.5	0	0	0	112.3	F557 A558 G591 L593 P613 T615 N616 A622 V650	F557-Y618 AromaticContact CD1-CE1 3.79Å; F557-Y618 HydrophobicContact CD1-CE1 3.79Å; F557-Y618 HydrophobicContact CE1-CE1 4.1Å; A558-Y618 HydrophobicContact CB-CE1 4.03Å; G591-Y618 WeakPolarHBondContact O-CE2 3.42Å; G591-Y618 PolarHBondContact O-OH 3.08Å; L593-Y618 HydrophobicContact CD2-CE2 3.88Å; P613-Y618 HydrophobicContact CB-CD2 4.43Å; T615-Y618 PolarHBondContact O-N 2.91Å; T615-Y618 WeakPolarHBondContact OG1-CD2 3.35Å; T615-Y618 WeakPolarHBondContact OG1-CE2 3.38Å; N616-Y618 PolarHBondContact O-N 3.32Å; Y618-A622 VanDerWaalsContact O-CB 3.31Å; Y618-A622 WeakPolarHBondContact O-CB 3.47Å; Y618-A622 PolarHBondContact O-N 3.31Å; Y618-V650 HydrophobicContact CD1-CG2 4.01Å; Y618-V650 WeakPolarHBondContact O-CG2 3.41Å
619	D	98.1	Very high	97.3	Very high	48 Å²	48	39.7 Å²	39.7	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-69.6	-35.7	173.1	-75.6	-84.9	0	0	0	113	P613 N616 K623	P613-D619 WeakPolarHBondContact CG-OD2 3.4Å; N616-D619 PolarHBondContact O-N 2.85Å; D619-K623 WeakPolarHBondContact O-CD 3.38Å; D619-K623 WeakPolarHBondContact O-CG 3.49Å; D619-K623 PolarHBondContact O-N 3.05Å
620	S	98.2	Very high	97.5	Very high	51 Å²	51	36.2 Å²	36.2	36%	0.357	20%	0.199	S	C	.	.	H	α-helix	trans	-68	-51.8	172.4	-64.5	0	0	0	0	111.2	N616 V617 A622 K623 D624	N616-S620 PolarHBondContact O-N 2.88Å; V617-S620 PolarHBondContact O-N 3.17Å; S620-A622 VanDerWaalsContact C-N 3.25Å; S620-A622 PolarHBondContact O-N 2.86Å; S620-K623 CarbonylContact O-C 3.2Å; S620-K623 WeakPolarHBondContact O-CA 3.05Å; S620-K623 VanDerWaalsContact O-CB 3.31Å; S620-K623 WeakPolarHBondContact O-CB 3.23Å; S620-K623 PolarHBondContact O-N 2.81Å; S620-D624 PolarHBondContact O-N 3.06Å
621	L	98.6	Very high	97.8	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-33.4	-178.2	-174.6	55.1	0	0	0	112.5	A558 I561 Q562 V617 D624 C625	A558-L621 HydrophobicContact CB-CD2 3.86Å; I561-L621 HydrophobicContact CB-CD2 3.88Å; I561-L621 HydrophobicContact CB-CG 4.39Å; I561-L621 HydrophobicContact CG2-CD1 3.96Å; I561-L621 HydrophobicContact CG2-CD2 3.79Å; I561-L621 HydrophobicContact CG2-CG 3.74Å; Q562-L621 HydrophobicContact CB-CD1 4.39Å; Q562-L621 VanDerWaalsContact OE1-CD1 3.23Å; V617-L621 WeakPolarHBondContact O-CB 3.4Å; V617-L621 PolarHBondContact O-N 3.12Å; L621-D624 PolarHBondContact O-N 3.32Å; L621-C625 VanDerWaalsContact O-CB 3.29Å; L621-C625 WeakPolarHBondContact O-CB 3.4Å; L621-C625 PolarHBondContact O-N 2.78Å; L621-C625 PolarHBondContact O-SG 3.16Å
622	A	98.6	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-41.2	169.9	0	0	0	0	0	112.9	Y618 S620 V626 V650 L653	Y618-A622 VanDerWaalsContact O-CB 3.31Å; Y618-A622 WeakPolarHBondContact O-CB 3.47Å; Y618-A622 PolarHBondContact O-N 3.31Å; S620-A622 VanDerWaalsContact C-N 3.25Å; S620-A622 PolarHBondContact O-N 2.86Å; A622-V626 WeakPolarHBondContact O-CG2 3.48Å; A622-V626 PolarHBondContact O-N 2.82Å; A622-V650 HydrophobicContact CB-CG1 4.44Å; A622-V650 HydrophobicContact CB-CG2 4.26Å; A622-L653 HydrophobicContact CB-CB 3.88Å; A622-L653 HydrophobicContact CB-CD1 3.65Å; A622-L653 HydrophobicContact CB-CG 4.39Å
623	K	98.6	Very high	98	Very high	89 Å²	89	32.9 Å²	32.9	39%	0.387	18%	0.184	S	C	.	.	H	α-helix	trans	-65.5	-44.8	174.7	-68	157	-173.1	158.1	0	111.1	D619 S620 C625 V626 A627 L709	D619-K623 WeakPolarHBondContact O-CD 3.38Å; D619-K623 WeakPolarHBondContact O-CG 3.49Å; D619-K623 PolarHBondContact O-N 3.05Å; S620-K623 CarbonylContact O-C 3.2Å; S620-K623 WeakPolarHBondContact O-CA 3.05Å; S620-K623 VanDerWaalsContact O-CB 3.31Å; S620-K623 WeakPolarHBondContact O-CB 3.23Å; S620-K623 PolarHBondContact O-N 2.81Å; K623-C625 VanDerWaalsContact C-N 3.35Å; K623-C625 PolarHBondContact O-N 2.71Å; K623-V626 PolarHBondContact O-N 2.6Å; K623-A627 WeakPolarHBondContact O-CB 3.43Å; K623-A627 PolarHBondContact O-N 3.01Å; K623-L709 HydrophobicContact CB-CD2 4.29Å; K623-L709 HydrophobicContact CG-CD1 4.42Å; K623-L709 HydrophobicContact CG-CD2 3.88Å
624	D	98.5	Very high	98.1	Very high	71 Å²	71	31.5 Å²	31.5	38%	0.38	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-41.9	179.5	-58.7	-40.3	0	0	0	111.1	M565 S620 L621 A627 H628	M565-D624 HydrophobicContact CE-CB 4.04Å; S620-D624 PolarHBondContact O-N 3.06Å; L621-D624 PolarHBondContact O-N 3.32Å; D624-A627 PolarHBondContact O-N 2.83Å; D624-H628 PolarHBondContact O-CD2 2.8Å; D624-H628 VanDerWaalsContact O-CD2 3.32Å; D624-H628 PolarHBondContact O-N 3.09Å
625	C	98.8	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.4	-49.5	173.1	-72.9	0	0	0	0	112.6	I561 L621 K623 H628 G629 C630 T654	I561-C625 VanDerWaalsContact CG2-SG 3.57Å; L621-C625 VanDerWaalsContact O-CB 3.29Å; L621-C625 WeakPolarHBondContact O-CB 3.4Å; L621-C625 PolarHBondContact O-N 2.78Å; L621-C625 PolarHBondContact O-SG 3.16Å; K623-C625 VanDerWaalsContact C-N 3.35Å; K623-C625 PolarHBondContact O-N 2.71Å; C625-H628 CarbonylContact O-C 3.59Å; C625-H628 PolarHBondContact O-N 3.46Å; C625-G629 PolarHBondContact O-N 3.49Å; C625-C630 CarbonylContact C-O 3.57Å; C625-C630 HydrophobicContact CB-CB 4.25Å; C625-C630 WeakPolarHBondContact CB-O 3.31Å; C625-C630 WeakPolarHBondContact O-CB 3.41Å; C625-C630 PolarHBondContact O-N 3.36Å; C625-T654 HydrophobicContact CB-CG2 3.54Å
626	V	98.7	Very high	98.4	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.03	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-41.5	177.3	174.3	0	0	0	0	111.6	A622 K623 H628 G629 T654 L709 E717 A719	A622-V626 WeakPolarHBondContact O-CG2 3.48Å; A622-V626 PolarHBondContact O-N 2.82Å; K623-V626 PolarHBondContact O-N 2.6Å; V626-H628 PolarHBondContact O-N 2.88Å; V626-H628 VanDerWaalsContact O-N 3.13Å; V626-G629 PolarHBondContact O-N 2.93Å; V626-G629 VanDerWaalsContact O-N 3.08Å; V626-T654 HydrophobicContact CG2-CG2 4.04Å; V626-L709 HydrophobicContact CB-CD2 3.73Å; V626-L709 HydrophobicContact CG1-CB 4.39Å; V626-L709 HydrophobicContact CG1-CD2 4Å; V626-L709 HydrophobicContact CG2-CB 4.06Å; V626-L709 HydrophobicContact CG2-CD2 3.83Å; V626-E717 HydrophobicContact CG1-CB 3.62Å; V626-A719 HydrophobicContact CG2-CB 4.25Å
627	A	97.9	Very high	98.5	Very high	47 Å²	47	21.5 Å²	21.5	39%	0.388	12%	0.121	S	C	.	.	H	α-helix	trans	-59.4	-24.2	176.1	0	0	0	0	0	112.7	R432 K623 D624	R432-A627 PolarHBondContact NH1-O 3.2Å; R432-A627 PolarHBondContact NH2-O 3.33Å; K623-A627 WeakPolarHBondContact O-CB 3.43Å; K623-A627 PolarHBondContact O-N 3.01Å; D624-A627 PolarHBondContact O-N 2.83Å
628	H	98	Very high	98.5	Very high	67 Å²	67	19.2 Å²	19.2	31%	0.31	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	5.7	175.6	-71.6	-67.1	0	0	0	115.5	M565 D624 C625 V626 C630	M565-H628 HydrophobicContact CG-CB 4.48Å; M565-H628 HydrophobicContact SD-CB 4.17Å; D624-H628 PolarHBondContact O-CD2 2.8Å; D624-H628 VanDerWaalsContact O-CD2 3.32Å; D624-H628 PolarHBondContact O-N 3.09Å; C625-H628 CarbonylContact O-C 3.59Å; C625-H628 PolarHBondContact O-N 3.46Å; V626-H628 PolarHBondContact O-N 2.88Å; V626-H628 VanDerWaalsContact O-N 3.13Å; H628-C630 VanDerWaalsContact C-N 3.28Å; H628-C630 PolarHBondContact O-N 2.8Å
629	G	98.1	Very high	98.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	25.2	179.2	0	0	0	0	0	113.9	P574 G575 C625 V626	P574-G629 WeakPolarHBondContact CA-O 3.24Å; P574-G629 VanDerWaalsContact CB-O 3.31Å; P574-G629 WeakPolarHBondContact CB-O 3.47Å; G575-G629 PolarHBondContact N-O 2.84Å; C625-G629 PolarHBondContact O-N 3.49Å; V626-G629 PolarHBondContact O-N 2.93Å; V626-G629 VanDerWaalsContact O-N 3.08Å
630	C	98.8	Very high	98.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	114.9	178.8	168.1	0	0	0	0	110.2	M565 L568 L577 C625 H628 A719	M565-C630 HydrophobicContact CB-CB 4.41Å; M565-C630 HydrophobicContact CG-CB 4.12Å; L568-C630 HydrophobicContact CD1-CB 3.79Å; L577-C630 VanDerWaalsContact CD1-SG 3.59Å; C625-C630 CarbonylContact C-O 3.57Å; C625-C630 HydrophobicContact CB-CB 4.25Å; C625-C630 WeakPolarHBondContact CB-O 3.31Å; C625-C630 WeakPolarHBondContact O-CB 3.41Å; C625-C630 PolarHBondContact O-N 3.36Å; H628-C630 VanDerWaalsContact C-N 3.28Å; H628-C630 PolarHBondContact O-N 2.8Å; C630-A719 VanDerWaalsContact C-CB 3.43Å; C630-A719 WeakPolarHBondContact O-CB 3.4Å
631	S	98.8	Very high	98.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	144.7	176	-167.3	0	0	0	0	111.8	G575 K576 L577 T654 G656 A720	G575-S631 PolarHBondContact O-N 3.45Å; K576-S631 CarbonylContact C-O 3.07Å; K576-S631 WeakPolarHBondContact CA-O 3.42Å; L577-S631 PolarHBondContact N-O 3.01Å; S631-T654 PolarHBondContact OG-O 2.98Å; S631-G656 PolarHBondContact OG-N 3.01Å; S631-A720 VanDerWaalsContact CB-CB 3.42Å
632	V	98.9	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.4	-176	-169.6	0	0	0	0	110.9	I561 L577 I579 V650 P651 T654 G656	I561-V632 HydrophobicContact CD1-CG1 4.3Å; I561-V632 HydrophobicContact CG1-CG1 4.22Å; I561-V632 HydrophobicContact CG2-CG2 4.12Å; L577-V632 HydrophobicContact CB-CG1 4.34Å; L577-V632 HydrophobicContact CB-CG2 4.46Å; L577-V632 HydrophobicContact CD1-CG2 3.98Å; L577-V632 HydrophobicContact CG-CG2 4.36Å; I579-V632 HydrophobicContact CD1-CG1 3.69Å; I579-V632 HydrophobicContact CG1-CG1 4.35Å; V632-V650 HydrophobicContact CB-CG1 4.35Å; V632-V650 HydrophobicContact CG2-CG1 3.79Å; V632-P651 HydrophobicContact CB-CG 4.39Å; V632-P651 HydrophobicContact CG1-CG 4.13Å; V632-P651 VanDerWaalsContact O-CA 3.24Å; V632-P651 WeakPolarHBondContact O-CA 3.5Å; V632-P651 VanDerWaalsContact O-CB 3.32Å; V632-P651 WeakPolarHBondContact O-CB 3.37Å; V632-T654 HydrophobicContact CG2-CG2 4.44Å; V632-T654 PolarHBondContact N-OG1 3.49Å; V632-G656 WeakPolarHBondContact O-CA 3.14Å
633	T	98.9	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.9	163	-73.5	0	0	0	0	109.3	K576 L577 I579 F635 T657 Y659 D680	K576-T633 VanDerWaalsContact CE-OG1 3.25Å; K576-T633 WeakPolarHBondContact CE-OG1 3.41Å; L577-T633 PolarHBondContact O-N 2.96Å; I579-T633 PolarHBondContact N-O 3.1Å; T633-F635 HydrophobicContact CG2-CD2 3.92Å; T633-F635 HydrophobicContact CG2-CE2 3.39Å; T633-F635 HydrophobicContact CG2-CZ 3.98Å; T633-T657 CarbonylContact C-O 3.58Å; T633-T657 VanDerWaalsContact CA-O 3.32Å; T633-T657 WeakPolarHBondContact CA-O 3.48Å; T633-T657 PolarHBondContact OG1-N 3.47Å; T633-Y659 HydrophobicContact CG2-CD2 4.08Å; T633-Y659 HydrophobicContact CG2-CE2 4.08Å; T633-D680 WeakPolarHBondContact CG2-OD2 3.34Å; T633-D680 PolarHBondContact OG1-OD2 2.93Å
634	L	98.9	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.9	176.6	179.2	59.1	0	0	0	111	F557 I579 H581 L636 L647 P651 T657 L658 Y659	F557-L634 HydrophobicContact CE2-CD1 3.87Å; F557-L634 HydrophobicContact CE2-CD2 4.2Å; F557-L634 HydrophobicContact CZ-CD1 4.28Å; F557-L634 HydrophobicContact CZ-CD2 3.87Å; I579-L634 HydrophobicContact CB-CD1 3.94Å; I579-L634 HydrophobicContact CG2-CD1 3.78Å; H581-L634 HydrophobicContact CB-CD1 3.85Å; L634-L636 HydrophobicContact CD2-CB 4.45Å; L634-L636 HydrophobicContact CD2-CD1 4.39Å; L634-L636 HydrophobicContact CD2-CD2 4.41Å; L634-L636 HydrophobicContact CG-CB 4.21Å; L634-L647 HydrophobicContact CD2-CB 4.06Å; L634-P651 HydrophobicContact CB-CG 3.86Å; L634-T657 PolarHBondContact N-O 3.5Å; L634-L658 HydrophobicContact CB-CD1 3.98Å; L634-L658 HydrophobicContact CD2-CD1 3.83Å; L634-L658 HydrophobicContact CG-CD1 3.91Å; L634-L658 WeakPolarHBondContact O-CA 3.42Å; L634-Y659 PolarHBondContact O-N 3.46Å
635	F	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	108.7	164.1	-62.7	-95.6	0	0	0	107.8	F578 I579 F580 H581 T633 F637 Y659 Y661 F673 D676 L677 D680	F578-F635 HydrophobicContact CD1-CE2 4.08Å; I579-F635 PolarHBondContact O-N 3.06Å; F580-F635 WeakPolarHBondContact CA-O 3.15Å; F580-F635 HydrophobicContact CD1-CB 3.77Å; F580-F635 HydrophobicContact CD1-CD2 4.03Å; F580-F635 HydrophobicContact CD1-CG 4.01Å; F580-F635 HydrophobicContact CE1-CB 4.3Å; F580-F635 AromaticContact CE1-CD2 3.78Å; F580-F635 HydrophobicContact CE1-CD2 3.78Å; F580-F635 HydrophobicContact CE1-CE2 4.32Å; F580-F635 HydrophobicContact CE1-CG 4.02Å; F580-F635 HydrophobicContact CZ-CD2 4.42Å; H581-F635 PolarHBondContact N-O 3.22Å; T633-F635 HydrophobicContact CG2-CD2 3.92Å; T633-F635 HydrophobicContact CG2-CE2 3.39Å; T633-F635 HydrophobicContact CG2-CZ 3.98Å; F635-F637 HydrophobicContact CB-CE2 3.63Å; F635-F637 HydrophobicContact CB-CZ 3.98Å; F635-F637 WeakPolarHBondContact O-CD2 3.48Å; F635-F637 VanDerWaalsContact O-CE2 3.31Å; F635-F637 WeakPolarHBondContact O-CE2 3.16Å; F635-Y659 AromaticContact CD1-CD2 3.77Å; F635-Y659 HydrophobicContact CD1-CD2 3.77Å; F635-Y659 AromaticContact CD1-CG 3.91Å; F635-Y659 HydrophobicContact CD1-CG 3.91Å; F635-Y659 HydrophobicContact CE1-CD1 4.45Å; F635-Y659 AromaticContact CE1-CD2 3.4Å; F635-Y659 HydrophobicContact CE1-CD2 3.4Å; F635-Y659 AromaticContact CE1-CE2 3.81Å; F635-Y659 HydrophobicContact CE1-CE2 3.81Å; F635-Y659 AromaticContact CE1-CG 3.78Å; F635-Y659 HydrophobicContact CE1-CG 3.78Å; F635-Y659 HydrophobicContact CE2-CD2 4.31Å; F635-Y659 HydrophobicContact CG-CD2 4.37Å; F635-Y659 AromaticContact CZ-CD2 3.69Å; F635-Y659 HydrophobicContact CZ-CD2 3.69Å; F635-Y659 AromaticContact CZ-CE2 3.79Å; F635-Y659 HydrophobicContact CZ-CE2 3.79Å; F635-Y661 HydrophobicContact CD1-CE2 4.11Å; F635-F673 HydrophobicContact CB-CE2 4.46Å; F635-F673 AromaticContact CD1-CD2 3.98Å; F635-F673 HydrophobicContact CD1-CD2 3.98Å; F635-F673 AromaticContact CD1-CE2 3.79Å; F635-F673 HydrophobicContact CD1-CE2 3.79Å; F635-F673 HydrophobicContact CE1-CE2 4.34Å; F635-F673 HydrophobicContact CG-CE2 4.21Å; F635-D676 HydrophobicContact CE1-CB 4.33Å; F635-L677 HydrophobicContact CD2-CD1 4.38Å; F635-L677 HydrophobicContact CE1-CB 4.12Å; F635-L677 HydrophobicContact CE1-CD1 4.08Å; F635-L677 HydrophobicContact CE2-CD1 3.63Å; F635-L677 HydrophobicContact CZ-CB 4.25Å; F635-L677 HydrophobicContact CZ-CD1 3.46Å; F635-L677 VanDerWaalsContact CZ-CD1 3.46Å; F635-L677 HydrophobicContact CZ-CG 4.46Å; F635-D680 HydrophobicContact CZ-CB 4.15Å
636	L	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.7	-172.3	-167.1	59.8	0	0	0	110	H581 L634 P638 V642 V644 L647 L658 Y659 K660 Y661	H581-L636 HydrophobicContact CB-CD1 4.14Å; H581-L636 WeakPolarHBondContact O-CA 3.32Å; L634-L636 HydrophobicContact CD2-CB 4.45Å; L634-L636 HydrophobicContact CD2-CD1 4.39Å; L634-L636 HydrophobicContact CD2-CD2 4.41Å; L634-L636 HydrophobicContact CG-CB 4.21Å; L636-P638 WeakPolarHBondContact O-CD 3.25Å; L636-V642 HydrophobicContact CD2-CG2 3.9Å; L636-V642 HydrophobicContact CG-CG2 4.47Å; L636-V644 HydrophobicContact CD2-CG2 4.2Å; L636-L647 HydrophobicContact CD1-CD1 3.91Å; L636-L647 HydrophobicContact CD2-CD1 4.15Å; L636-L658 HydrophobicContact CB-CD1 4.22Å; L636-L658 HydrophobicContact CD2-CD1 4.33Å; L636-Y659 PolarHBondContact N-O 3.1Å; L636-K660 CarbonylContact O-C 3.55Å; L636-K660 WeakPolarHBondContact O-CA 3.3Å; L636-Y661 PolarHBondContact O-N 3.26Å
637	F	98.7	Very high	98.2	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.031	11%	0.109	C	C	.	.			trans	-119.5	60.1	-173	-59	-95.7	0	0	0	112.2	L457 F580 H581 S582 F635 Y661 F664 F673	L457-F637 HydrophobicContact CD1-CD1 4.32Å; L457-F637 HydrophobicContact CD1-CE1 3.79Å; L457-F637 HydrophobicContact CD1-CZ 3.98Å; L457-F637 HydrophobicContact CD2-CB 4.23Å; L457-F637 HydrophobicContact CD2-CD1 3.61Å; L457-F637 HydrophobicContact CD2-CD2 3.48Å; L457-F637 VanDerWaalsContact CD2-CD2 3.48Å; L457-F637 HydrophobicContact CD2-CE1 3.72Å; L457-F637 HydrophobicContact CD2-CE2 3.62Å; L457-F637 HydrophobicContact CD2-CG 3.49Å; L457-F637 VanDerWaalsContact CD2-CG 3.49Å; L457-F637 HydrophobicContact CD2-CZ 3.73Å; L457-F637 HydrophobicContact CG-CE1 4.43Å; L457-F637 HydrophobicContact CG-CZ 4.45Å; F580-F637 HydrophobicContact CB-CE2 4.42Å; F580-F637 HydrophobicContact CD1-CE2 4.44Å; H581-F637 PolarHBondContact O-N 2.85Å; S582-F637 CarbonylContact O-C 3.38Å; F635-F637 HydrophobicContact CB-CE2 3.63Å; F635-F637 HydrophobicContact CB-CZ 3.98Å; F635-F637 WeakPolarHBondContact O-CD2 3.48Å; F635-F637 VanDerWaalsContact O-CE2 3.31Å; F635-F637 WeakPolarHBondContact O-CE2 3.16Å; F637-Y661 AromaticContact CD1-CD2 3.59Å; F637-Y661 HydrophobicContact CD1-CD2 3.59Å; F637-Y661 HydrophobicContact CD1-CG 4.1Å; F637-Y661 AromaticContact CE1-CD2 3.3Å; F637-Y661 HydrophobicContact CE1-CD2 3.3Å; F637-Y661 AromaticContact CE1-CE2 3.83Å; F637-Y661 HydrophobicContact CE1-CE2 3.83Å; F637-Y661 HydrophobicContact CE1-CG 4.02Å; F637-Y661 HydrophobicContact CE2-CD2 4.4Å; F637-Y661 HydrophobicContact CG-CD2 4.27Å; F637-Y661 AromaticContact CZ-CD2 3.76Å; F637-Y661 HydrophobicContact CZ-CD2 3.76Å; F637-Y661 AromaticContact CZ-CE2 3.89Å; F637-Y661 HydrophobicContact CZ-CE2 3.89Å; F637-F664 HydrophobicContact CB-CB 4.47Å; F637-F664 HydrophobicContact CD1-CB 3.99Å; F637-F664 HydrophobicContact CD1-CD1 4.43Å; F637-F664 AromaticContact CD1-CD2 3.8Å; F637-F664 HydrophobicContact CD1-CD2 3.8Å; F637-F664 HydrophobicContact CD1-CE2 4.42Å; F637-F664 AromaticContact CD1-CG 3.81Å; F637-F664 HydrophobicContact CD1-CG 3.81Å; F637-F664 AromaticContact CE1-CD2 3.99Å; F637-F664 HydrophobicContact CE1-CD2 3.99Å; F637-F664 HydrophobicContact CE1-CE2 4.22Å; F637-F664 HydrophobicContact CE1-CG 4.41Å; F637-F673 HydrophobicContact CE1-CB 4.36Å; F637-F673 HydrophobicContact CE1-CD1 4.41Å; F637-F673 AromaticContact CE1-CD2 3.96Å; F637-F673 HydrophobicContact CE1-CD2 3.96Å; F637-F673 HydrophobicContact CE1-CE2 4.43Å; F637-F673 AromaticContact CE1-CG 3.95Å; F637-F673 HydrophobicContact CE1-CG 3.95Å; F637-F673 HydrophobicContact CZ-CD1 4.44Å; F637-F673 AromaticContact CZ-CD2 3.58Å; F637-F673 HydrophobicContact CZ-CD2 3.58Å; F637-F673 AromaticContact CZ-CE2 3.67Å; F637-F673 HydrophobicContact CZ-CE2 3.67Å; F637-F673 HydrophobicContact CZ-CG 4.01Å; F637-F673 HydrophobicContact CZ-CZ 4.14Å
638	P	97.9	Very high	98.2	Very high	7 Å²	7	17.3 Å²	17.3	5%	0.045	9%	0.091	C	C	.	.			trans	-76.9	131.5	-167.6	32.2	-35.5	0	0	0	112.8	S582 L636 V642 K660 N663	S582-P638 WeakPolarHBondContact O-CA 3.15Å; L636-P638 WeakPolarHBondContact O-CD 3.25Å; P638-V642 HydrophobicContact CB-CB 4.32Å; P638-V642 HydrophobicContact CB-CG1 3.62Å; P638-V642 HydrophobicContact CB-CG2 3.72Å; P638-V642 HydrophobicContact CG-CG2 4.37Å; P638-K660 HydrophobicContact CG-CD 4.33Å; P638-K660 HydrophobicContact CG-CG 3.79Å; P638-N663 PolarHBondContact O-N 3.16Å
639	S	96.4	Very high	98.2	Very high	76 Å²	76	15.1 Å²	15.1	53%	0.531	8%	0.081	S	C	.	.	S	Bend	trans	-103	-9.7	167.9	59.1	0	0	0	0	113.6	N663	S639-N663 WeakPolarHBondContact CA-OD1 3.41Å; S639-N663 PolarHBondContact O-OD1 2.96Å
640	Q	95.8	Very high	98.3	Very high	159 Å²	159	15 Å²	15	74%	0.743	8%	0.081	S	C	*	.	S	Bend	trans	-146.5	-168.9	178.6	-62.5	-167.5	5.9	0	0	109.9	V642	Q640-V642 PolarHBondContact O-N 3.23Å
641	Y	96.7	Very high	98.3	Very high	32 Å²	32	15 Å²	15	13%	0.125	8%	0.081	C	C	.	.			trans	-61.2	129.7	172.5	174.3	-102.4	0	0	0	111.5	L584 N595 R596 D597 D643 D864	L584-Y641 HydrophobicContact CD1-CE1 4.41Å; N595-Y641 HydrophobicContact CB-CD1 4.24Å; N595-Y641 WeakPolarHBondContact OD1-CD1 3.29Å; R596-Y641 HydrophobicContact CG-CE1 4.47Å; R596-Y641 WeakPolarHBondContact CG-OH 3.49Å; D597-Y641 HydrophobicContact CB-CD2 4.09Å; D597-Y641 HydrophobicContact CB-CE2 4.03Å; D597-Y641 HydrophobicContact CB-CG 4.5Å; Y641-D643 HydrophobicContact CE1-CB 3.82Å; Y641-D643 HydrophobicContact CE2-CB 4.27Å; Y641-D643 VanDerWaalsContact OH-CB 3.26Å; Y641-D643 WeakPolarHBondContact OH-CB 3.41Å; Y641-D643 PolarHBondContact OH-OD1 3.44Å; Y641-D864 WeakPolarHBondContact CA-OD2 3.38Å; Y641-D864 WeakPolarHBondContact CD2-OD2 3.46Å
642	V	98.1	Very high	98.3	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.012	8%	0.083	C	C	.	.			trans	-128	-0.4	-177.2	-67.7	0	0	0	0	114.2	L584 L636 P638 Q640 V644 L647 D864	L584-V642 VanDerWaalsContact CD1-C 3.49Å; L584-V642 WeakPolarHBondContact CD1-O 3.29Å; L636-V642 HydrophobicContact CD2-CG2 3.9Å; L636-V642 HydrophobicContact CG-CG2 4.47Å; P638-V642 HydrophobicContact CB-CB 4.32Å; P638-V642 HydrophobicContact CB-CG1 3.62Å; P638-V642 HydrophobicContact CB-CG2 3.72Å; P638-V642 HydrophobicContact CG-CG2 4.37Å; Q640-V642 PolarHBondContact O-N 3.23Å; V642-V644 HydrophobicContact CG2-CG2 3.97Å; V642-L647 HydrophobicContact CB-CD1 4.14Å; V642-L647 WeakPolarHBondContact O-CD1 3.32Å; V642-D864 PolarHBondContact N-OD2 3.37Å
643	D	98.1	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.			trans	56.8	61.2	179.6	-164.2	33.6	0	0	0	113.8	L584 L593 R596 Q614 Y641 A645 S646 L647 D864	L584-D643 HydrophobicContact CD1-CB 3.81Å; L593-D643 HydrophobicContact CD1-CB 4.19Å; R596-D643 IonicContact CZ-OD1 3.5Å; R596-D643 IonicContact CZ-OD2 3.57Å; R596-D643 IonicContact NE-OD1 2.74Å; R596-D643 PolarHBondContact NE-OD1 3.04Å; R596-D643 VanDerWaalsContact NE-OD1 3.16Å; R596-D643 IonicContact NE-OD2 3.61Å; R596-D643 PolarHBondContact NE-OD2 3.12Å; R596-D643 VanDerWaalsContact NH2-CG 3.29Å; R596-D643 IonicContact NH2-OD1 3.42Å; R596-D643 PolarHBondContact NH2-OD1 3.35Å; R596-D643 IonicContact NH2-OD2 2.71Å; R596-D643 PolarHBondContact NH2-OD2 2.99Å; Q614-D643 WeakPolarHBondContact CG-OD2 3.44Å; Q614-D643 PolarHBondContact NE2-OD2 3.17Å; Y641-D643 HydrophobicContact CE1-CB 3.82Å; Y641-D643 HydrophobicContact CE2-CB 4.27Å; Y641-D643 VanDerWaalsContact OH-CB 3.26Å; Y641-D643 WeakPolarHBondContact OH-CB 3.41Å; Y641-D643 PolarHBondContact OH-OD1 3.44Å; D643-A645 PolarHBondContact O-N 3.25Å; D643-S646 PolarHBondContact O-N 3.33Å; D643-S646 VanDerWaalsContact OD2-CB 3.32Å; D643-S646 WeakPolarHBondContact OD2-CB 3.36Å; D643-S646 PolarHBondContact OD2-OG 3.47Å; D643-L647 PolarHBondContact O-N 3.31Å; D643-L647 VanDerWaalsContact O-N 3.12Å; D643-D864 WeakPolarHBondContact CA-OD1 3.22Å; D643-D864 PolarHBondContact N-OD1 2.77Å
644	V	98.6	Very high	98.2	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-52.9	-29.8	178.5	172.7	0	0	0	0	112.2	L636 V642 S646 G648 L658 K660 D864 A867	L636-V644 HydrophobicContact CD2-CG2 4.2Å; V642-V644 HydrophobicContact CG2-CG2 3.97Å; V644-S646 PolarHBondContact O-N 2.99Å; V644-G648 WeakPolarHBondContact O-CA 3.42Å; V644-G648 PolarHBondContact O-N 3.19Å; V644-L658 HydrophobicContact CG1-CD2 3.76Å; V644-K660 HydrophobicContact CG2-CD 3.8Å; V644-D864 HydrophobicContact CB-CB 4.29Å; V644-D864 HydrophobicContact CG2-CB 3.7Å; V644-D864 PolarHBondContact N-OD1 3.17Å; V644-A867 HydrophobicContact CB-CB 4Å; V644-A867 HydrophobicContact CG1-CB 3.95Å
645	A	98	Very high	98.2	Very high	10 Å²	10	17.1 Å²	17.1	8%	0.083	9%	0.092	C	C	.	.	H	α-helix	trans	-62.5	-26	175.1	0	0	0	0	0	114.1	L610 D643 A867	L610-A645 WeakPolarHBondContact O-CB 3.34Å; D643-A645 PolarHBondContact O-N 3.25Å; A645-A867 HydrophobicContact CB-CB 4.23Å
646	S	98.6	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-91.9	-54.3	171.2	-61.8	0	0	0	0	111.3	P613 Q614 D643 V644 G648 L649	P613-S646 WeakPolarHBondContact CA-OG 3.42Å; Q614-S646 PolarHBondContact N-OG 3.28Å; D643-S646 PolarHBondContact O-N 3.33Å; D643-S646 VanDerWaalsContact OD2-CB 3.32Å; D643-S646 WeakPolarHBondContact OD2-CB 3.36Å; D643-S646 PolarHBondContact OD2-OG 3.47Å; V644-S646 PolarHBondContact O-N 2.99Å; S646-G648 VanDerWaalsContact C-N 3.33Å; S646-G648 PolarHBondContact O-N 2.99Å; S646-L649 PolarHBondContact O-N 2.84Å
647	L	98.7	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-35.4	-173.6	-61.7	-177.1	0	0	0	113.3	F557 P585 L593 L634 L636 V642 D643 L649 P651	F557-L647 HydrophobicContact CB-CD2 4.37Å; F557-L647 HydrophobicContact CD1-CD2 3.39Å; F557-L647 HydrophobicContact CD2-CD2 4.39Å; F557-L647 HydrophobicContact CE1-CB 4.33Å; F557-L647 HydrophobicContact CE1-CD2 3.67Å; F557-L647 HydrophobicContact CG-CD2 3.8Å; F557-L647 HydrophobicContact CZ-CD2 4.29Å; P585-L647 HydrophobicContact CG-CD2 3.92Å; L593-L647 HydrophobicContact CD1-CD2 3.76Å; L593-L647 HydrophobicContact CD1-CG 4.09Å; L634-L647 HydrophobicContact CD2-CB 4.06Å; L636-L647 HydrophobicContact CD1-CD1 3.91Å; L636-L647 HydrophobicContact CD2-CD1 4.15Å; V642-L647 HydrophobicContact CB-CD1 4.14Å; V642-L647 WeakPolarHBondContact O-CD1 3.32Å; D643-L647 PolarHBondContact O-N 3.31Å; D643-L647 VanDerWaalsContact O-N 3.12Å; L647-L649 VanDerWaalsContact C-N 3.35Å; L647-P651 WeakPolarHBondContact O-CD 3.5Å
648	G	98.4	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.8	-178.5	0	0	0	0	0	114.6	V644 S646 P651 Q652 Q871	V644-G648 WeakPolarHBondContact O-CA 3.42Å; V644-G648 PolarHBondContact O-N 3.19Å; S646-G648 VanDerWaalsContact C-N 3.33Å; S646-G648 PolarHBondContact O-N 2.99Å; G648-P651 WeakPolarHBondContact O-CD 3.41Å; G648-Q652 WeakPolarHBondContact O-CB 3.1Å; G648-Q652 PolarHBondContact O-N 3.01Å; G648-Q871 VanDerWaalsContact CA-OE1 3.31Å; G648-Q871 PolarHBondContact O-NE2 2.82Å; G648-Q871 PolarHBondContact O-OE1 2.85Å
649	L	98.8	Very high	98.2	Very high	21 Å²	21	17.3 Å²	17.3	11%	0.11	9%	0.094	C	C	.	.	H	α-helix	trans	-65.5	-48.7	-170.6	-176.3	63.5	0	0	0	113.1	P613 S646 L647 Q652 L653	P613-L649 HydrophobicContact CB-CD2 3.97Å; P613-L649 HydrophobicContact CG-CD2 3.61Å; S646-L649 PolarHBondContact O-N 2.84Å; L647-L649 VanDerWaalsContact C-N 3.35Å; L649-Q652 WeakPolarHBondContact O-CB 3.36Å; L649-Q652 PolarHBondContact O-N 3.46Å; L649-Q652 VanDerWaalsContact O-N 3.13Å; L649-L653 HydrophobicContact CD1-CD1 3.78Å; L649-L653 HydrophobicContact CD1-CG 3.98Å; L649-L653 HydrophobicContact CG-CD1 3.93Å; L649-L653 HydrophobicContact CG-CG 4.39Å; L649-L653 WeakPolarHBondContact O-CG 3.26Å; L649-L653 PolarHBondContact O-N 2.77Å
650	V	98.9	Very high	98.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-65.1	-44.9	179.6	-176.5	0	0	0	0	111	I561 Y618 A622 V632 Q652 L653 T654	I561-V650 HydrophobicContact CD1-CB 4.15Å; I561-V650 HydrophobicContact CD1-CG1 4.25Å; I561-V650 HydrophobicContact CD1-CG2 4.39Å; I561-V650 HydrophobicContact CG2-CG1 4.22Å; Y618-V650 HydrophobicContact CD1-CG2 4.01Å; Y618-V650 WeakPolarHBondContact O-CG2 3.41Å; A622-V650 HydrophobicContact CB-CG1 4.44Å; A622-V650 HydrophobicContact CB-CG2 4.26Å; V632-V650 HydrophobicContact CB-CG1 4.35Å; V632-V650 HydrophobicContact CG2-CG1 3.79Å; V650-Q652 VanDerWaalsContact C-N 3.3Å; V650-Q652 PolarHBondContact O-N 3.14Å; V650-L653 PolarHBondContact O-N 3.27Å; V650-T654 HydrophobicContact CG1-CG2 3.83Å; V650-T654 WeakPolarHBondContact O-CB 3.17Å; V650-T654 VanDerWaalsContact O-CG2 3.25Å; V650-T654 WeakPolarHBondContact O-CG2 3.48Å; V650-T654 PolarHBondContact O-N 2.6Å; V650-T654 PolarHBondContact O-OG1 3.43Å
651	P	98.8	Very high	98.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-54.7	-38.9	167.8	-28.7	35	0	0	0	114.8	V632 L634 L647 G648 G656	V632-P651 HydrophobicContact CB-CG 4.39Å; V632-P651 HydrophobicContact CG1-CG 4.13Å; V632-P651 VanDerWaalsContact O-CA 3.24Å; V632-P651 WeakPolarHBondContact O-CA 3.5Å; V632-P651 VanDerWaalsContact O-CB 3.32Å; V632-P651 WeakPolarHBondContact O-CB 3.37Å; L634-P651 HydrophobicContact CB-CG 3.86Å; L647-P651 WeakPolarHBondContact O-CD 3.5Å; G648-P651 WeakPolarHBondContact O-CD 3.41Å; P651-G656 PolarHBondContact O-N 3.41Å
652	Q	98.6	Very high	98.4	Very high	13 Å²	13	8.8 Å²	8.8	6%	0.061	5%	0.049	C	C	.	.	H	α-helix	trans	-65.2	-52.7	177	-171.7	177.9	-12.2	0	0	111.5	G648 L649 V650 T654 G655 G707 I708 Q871	G648-Q652 WeakPolarHBondContact O-CB 3.1Å; G648-Q652 PolarHBondContact O-N 3.01Å; L649-Q652 WeakPolarHBondContact O-CB 3.36Å; L649-Q652 PolarHBondContact O-N 3.46Å; L649-Q652 VanDerWaalsContact O-N 3.13Å; V650-Q652 VanDerWaalsContact C-N 3.3Å; V650-Q652 PolarHBondContact O-N 3.14Å; Q652-T654 PolarHBondContact O-N 3.02Å; Q652-G655 PolarHBondContact O-N 3.46Å; Q652-G707 CarbonylContact O-C 3.47Å; Q652-G707 WeakPolarHBondContact O-CA 3.42Å; Q652-I708 PolarHBondContact O-N 2.93Å; Q652-Q871 HydrophobicContact CB-CG 4.16Å; Q652-Q871 HydrophobicContact CG-CG 4.24Å
653	L	98.6	Very high	98.3	Very high	29 Å²	29	13.4 Å²	13.4	15%	0.152	7%	0.074	C	C	.	.	H	α-helix	trans	-74.1	-26.1	-172.3	-64.2	178.7	0	0	0	113.1	A622 L649 V650 G655 I708 L709	A622-L653 HydrophobicContact CB-CB 3.88Å; A622-L653 HydrophobicContact CB-CD1 3.65Å; A622-L653 HydrophobicContact CB-CG 4.39Å; L649-L653 HydrophobicContact CD1-CD1 3.78Å; L649-L653 HydrophobicContact CD1-CG 3.98Å; L649-L653 HydrophobicContact CG-CD1 3.93Å; L649-L653 HydrophobicContact CG-CG 4.39Å; L649-L653 WeakPolarHBondContact O-CG 3.26Å; L649-L653 PolarHBondContact O-N 2.77Å; V650-L653 PolarHBondContact O-N 3.27Å; L653-G655 VanDerWaalsContact C-N 3.32Å; L653-I708 VanDerWaalsContact CD2-O 3.27Å; L653-I708 WeakPolarHBondContact CD2-O 3.19Å; L653-I708 CarbonylContact O-C 3.55Å; L653-L709 HydrophobicContact CD1-CD1 4.46Å; L653-L709 PolarHBondContact O-N 3.21Å
654	T	98.8	Very high	98.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	6.8	178	64.6	0	0	0	0	114.1	C625 V626 S631 V632 V650 Q652 G656 A719 A720	C625-T654 HydrophobicContact CB-CG2 3.54Å; V626-T654 HydrophobicContact CG2-CG2 4.04Å; S631-T654 PolarHBondContact OG-O 2.98Å; V632-T654 HydrophobicContact CG2-CG2 4.44Å; V632-T654 PolarHBondContact N-OG1 3.49Å; V650-T654 HydrophobicContact CG1-CG2 3.83Å; V650-T654 WeakPolarHBondContact O-CB 3.17Å; V650-T654 VanDerWaalsContact O-CG2 3.25Å; V650-T654 WeakPolarHBondContact O-CG2 3.48Å; V650-T654 PolarHBondContact O-N 2.6Å; V650-T654 PolarHBondContact O-OG1 3.43Å; Q652-T654 PolarHBondContact O-N 3.02Å; T654-G656 VanDerWaalsContact C-N 3.28Å; T654-G656 PolarHBondContact O-N 3.08Å; T654-A719 WeakPolarHBondContact O-CB 3.43Å; T654-A720 PolarHBondContact O-N 3.37Å
655	G	98	Very high	98	Very high	3 Å²	3	18.6 Å²	18.6	3%	0.031	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	3.4	177.3	0	0	0	0	0	115.8	Q652 L653 G707 K725	Q652-G655 PolarHBondContact O-N 3.46Å; L653-G655 VanDerWaalsContact C-N 3.32Å; G655-G707 WeakPolarHBondContact CA-O 3.31Å; G655-K725 WeakPolarHBondContact O-CE 3.12Å
656	G	98.1	Very high	97.8	Very high	8 Å²	8	21.1 Å²	21.1	8%	0.082	11%	0.109	C	C	.	.			trans	-77.3	-162	-179	0	0	0	0	0	114.1	S631 V632 P651 T654 K725	S631-G656 PolarHBondContact OG-N 3.01Å; V632-G656 WeakPolarHBondContact O-CA 3.14Å; P651-G656 PolarHBondContact O-N 3.41Å; T654-G656 VanDerWaalsContact C-N 3.28Å; T654-G656 PolarHBondContact O-N 3.08Å; G656-K725 PolarHBondContact O-NZ 2.88Å
657	T	98.6	Very high	97.4	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	14%	0.138	C	C	.	.			trans	-122.2	149.2	-176.7	-43	0	0	0	0	111.6	T633 L634 Y659 D680 K725 Y983	T633-T657 CarbonylContact C-O 3.58Å; T633-T657 VanDerWaalsContact CA-O 3.32Å; T633-T657 WeakPolarHBondContact CA-O 3.48Å; T633-T657 PolarHBondContact OG1-N 3.47Å; L634-T657 PolarHBondContact N-O 3.5Å; T657-Y659 HydrophobicContact CG2-CD2 3.83Å; T657-Y659 HydrophobicContact CG2-CE1 4.22Å; T657-Y659 HydrophobicContact CG2-CE2 3.3Å; T657-Y659 HydrophobicContact CG2-CG 4.47Å; T657-D680 PolarHBondContact OG1-OD1 3.06Å; T657-K725 PolarHBondContact OG1-NZ 2.93Å; T657-Y983 HydrophobicContact CG2-CE1 3.77Å
658	L	98.7	Very high	97	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.2	167.5	174.5	61.6	0	0	0	108.6	L634 L636 V644 Y868	L634-L658 HydrophobicContact CB-CD1 3.98Å; L634-L658 HydrophobicContact CD2-CD1 3.83Å; L634-L658 HydrophobicContact CG-CD1 3.91Å; L634-L658 WeakPolarHBondContact O-CA 3.42Å; L636-L658 HydrophobicContact CB-CD1 4.22Å; L636-L658 HydrophobicContact CD2-CD1 4.33Å; V644-L658 HydrophobicContact CG1-CD2 3.76Å; L658-Y868 HydrophobicContact CD2-CD2 3.82Å; L658-Y868 HydrophobicContact CD2-CE2 4.31Å; L658-Y868 HydrophobicContact CG-CD2 4.08Å; L658-Y868 HydrophobicContact CG-CE2 4.05Å
659	Y	98.8	Very high	96.8	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.008	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.1	171.8	-64.4	-87.9	0	0	0	108.5	T633 L634 F635 L636 T657 Y661 D676 D680 Y983	T633-Y659 HydrophobicContact CG2-CD2 4.08Å; T633-Y659 HydrophobicContact CG2-CE2 4.08Å; L634-Y659 PolarHBondContact O-N 3.46Å; F635-Y659 AromaticContact CD1-CD2 3.77Å; F635-Y659 HydrophobicContact CD1-CD2 3.77Å; F635-Y659 AromaticContact CD1-CG 3.91Å; F635-Y659 HydrophobicContact CD1-CG 3.91Å; F635-Y659 HydrophobicContact CE1-CD1 4.45Å; F635-Y659 AromaticContact CE1-CD2 3.4Å; F635-Y659 HydrophobicContact CE1-CD2 3.4Å; F635-Y659 AromaticContact CE1-CE2 3.81Å; F635-Y659 HydrophobicContact CE1-CE2 3.81Å; F635-Y659 AromaticContact CE1-CG 3.78Å; F635-Y659 HydrophobicContact CE1-CG 3.78Å; F635-Y659 HydrophobicContact CE2-CD2 4.31Å; F635-Y659 HydrophobicContact CG-CD2 4.37Å; F635-Y659 AromaticContact CZ-CD2 3.69Å; F635-Y659 HydrophobicContact CZ-CD2 3.69Å; F635-Y659 AromaticContact CZ-CE2 3.79Å; F635-Y659 HydrophobicContact CZ-CE2 3.79Å; L636-Y659 PolarHBondContact N-O 3.1Å; T657-Y659 HydrophobicContact CG2-CD2 3.83Å; T657-Y659 HydrophobicContact CG2-CE1 4.22Å; T657-Y659 HydrophobicContact CG2-CE2 3.3Å; T657-Y659 HydrophobicContact CG2-CG 4.47Å; Y659-Y661 WeakPolarHBondContact CB-OH 3.23Å; Y659-D676 HydrophobicContact CD1-CB 3.7Å; Y659-D676 WeakPolarHBondContact CD1-OD2 3.24Å; Y659-D676 HydrophobicContact CE1-CB 3.62Å; Y659-D676 HydrophobicContact CG-CB 4.48Å; Y659-D680 HydrophobicContact CE2-CB 4.01Å; Y659-D680 PolarHBondContact OH-OD1 3.3Å; Y659-Y983 AromaticContact CD1-CD1 3.69Å; Y659-Y983 HydrophobicContact CD1-CD1 3.69Å; Y659-Y983 AromaticContact CD1-CE1 3.94Å; Y659-Y983 HydrophobicContact CD1-CE1 3.94Å; Y659-Y983 AromaticContact CE1-CD1 3.44Å; Y659-Y983 HydrophobicContact CE1-CD1 3.44Å; Y659-Y983 VanDerWaalsContact CE1-CD1 3.44Å; Y659-Y983 AromaticContact CE1-CE1 3.68Å; Y659-Y983 HydrophobicContact CE1-CE1 3.68Å
660	K	98.6	Very high	96.7	Very high	16 Å²	16	34.2 Å²	34.2	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	103.5	-172.8	-168.3	178.7	96.4	-50	0	113.3	L636 P638 V644 N662 E865 Y868	L636-K660 CarbonylContact O-C 3.55Å; L636-K660 WeakPolarHBondContact O-CA 3.3Å; P638-K660 HydrophobicContact CG-CD 4.33Å; P638-K660 HydrophobicContact CG-CG 3.79Å; V644-K660 HydrophobicContact CG2-CD 3.8Å; K660-N662 WeakPolarHBondContact CE-OD1 3.29Å; K660-N662 PolarHBondContact NZ-OD1 3.48Å; K660-N662 VanDerWaalsContact NZ-OD1 3.16Å; K660-N662 PolarHBondContact O-N 3.04Å; K660-E865 WeakPolarHBondContact CE-OE2 3.48Å; K660-E865 IonicContact NZ-OE2 3.73Å; K660-E865 PolarHBondContact NZ-OE2 3.45Å; K660-Y868 HydrophobicContact CB-CD2 3.8Å; K660-Y868 HydrophobicContact CB-CE1 4.18Å; K660-Y868 HydrophobicContact CB-CE2 3.43Å; K660-Y868 VanDerWaalsContact CB-CE2 3.43Å; K660-Y868 HydrophobicContact CB-CG 4.32Å; K660-Y868 HydrophobicContact CD-CD1 4.47Å; K660-Y868 HydrophobicContact CD-CD2 4.04Å; K660-Y868 HydrophobicContact CD-CG 3.99Å; K660-Y868 PolarHBondContact N-OH 3.44Å
661	Y	98.1	Very high	96.4	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.024	19%	0.186	C	C	.	.			trans	-96.9	80.6	-177	-49.9	-78.1	0	0	0	111.3	F635 L636 F637 Y659 N663 F664 Q672 F673 D676	F635-Y661 HydrophobicContact CD1-CE2 4.11Å; L636-Y661 PolarHBondContact O-N 3.26Å; F637-Y661 AromaticContact CD1-CD2 3.59Å; F637-Y661 HydrophobicContact CD1-CD2 3.59Å; F637-Y661 HydrophobicContact CD1-CG 4.1Å; F637-Y661 AromaticContact CE1-CD2 3.3Å; F637-Y661 HydrophobicContact CE1-CD2 3.3Å; F637-Y661 AromaticContact CE1-CE2 3.83Å; F637-Y661 HydrophobicContact CE1-CE2 3.83Å; F637-Y661 HydrophobicContact CE1-CG 4.02Å; F637-Y661 HydrophobicContact CE2-CD2 4.4Å; F637-Y661 HydrophobicContact CG-CD2 4.27Å; F637-Y661 AromaticContact CZ-CD2 3.76Å; F637-Y661 HydrophobicContact CZ-CD2 3.76Å; F637-Y661 AromaticContact CZ-CE2 3.89Å; F637-Y661 HydrophobicContact CZ-CE2 3.89Å; Y659-Y661 WeakPolarHBondContact CB-OH 3.23Å; Y661-N663 PolarHBondContact O-N 3.16Å; Y661-F664 PolarHBondContact O-N 3.01Å; Y661-Q672 HydrophobicContact CE1-CG 4.18Å; Y661-F673 HydrophobicContact CE1-CB 4.14Å; Y661-F673 HydrophobicContact CE2-CB 4.33Å; Y661-F673 AromaticContact CE2-CD2 3.91Å; Y661-F673 HydrophobicContact CE2-CD2 3.91Å; Y661-D676 WeakPolarHBondContact CE1-OD2 3.35Å; Y661-D676 WeakPolarHBondContact OH-CB 3.44Å; Y661-D676 PolarHBondContact OH-OD2 3.4Å
662	N	96.4	Very high	96.2	Very high	66 Å²	66	40.4 Å²	40.4	35%	0.353	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	120	179.1	-66.2	-12.4	0	0	0	111	K660 E865	K660-N662 WeakPolarHBondContact CE-OD1 3.29Å; K660-N662 PolarHBondContact NZ-OD1 3.48Å; K660-N662 VanDerWaalsContact NZ-OD1 3.16Å; K660-N662 PolarHBondContact O-N 3.04Å; N662-E865 PolarHBondContact ND2-OE2 2.82Å
663	N	95.9	Very high	96.2	Very high	99 Å²	99	39.8 Å²	39.8	53%	0.529	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	48.8	-178.6	-58.7	-65.1	0	0	0	113.5	P638 S639 Y661 Q665	P638-N663 PolarHBondContact O-N 3.16Å; S639-N663 WeakPolarHBondContact CA-OD1 3.41Å; S639-N663 PolarHBondContact O-OD1 2.96Å; Y661-N663 PolarHBondContact O-N 3.16Å; N663-Q665 PolarHBondContact O-N 3.11Å
664	F	96.8	Very high	96.2	Very high	16 Å²	16	38.5 Å²	38.5	7%	0.07	18%	0.184	C	C	.	.			trans	-46.9	124.4	-179.5	176.4	-91.7	0	0	0	113.4	L457 L460 F637 Y661 M666 D669 F673	L457-F664 HydrophobicContact CD1-CE1 4.14Å; L457-F664 HydrophobicContact CD1-CZ 4.06Å; L460-F664 HydrophobicContact CD2-CZ 4.12Å; F637-F664 HydrophobicContact CB-CB 4.47Å; F637-F664 HydrophobicContact CD1-CB 3.99Å; F637-F664 HydrophobicContact CD1-CD1 4.43Å; F637-F664 AromaticContact CD1-CD2 3.8Å; F637-F664 HydrophobicContact CD1-CD2 3.8Å; F637-F664 HydrophobicContact CD1-CE2 4.42Å; F637-F664 AromaticContact CD1-CG 3.81Å; F637-F664 HydrophobicContact CD1-CG 3.81Å; F637-F664 AromaticContact CE1-CD2 3.99Å; F637-F664 HydrophobicContact CE1-CD2 3.99Å; F637-F664 HydrophobicContact CE1-CE2 4.22Å; F637-F664 HydrophobicContact CE1-CG 4.41Å; Y661-F664 PolarHBondContact O-N 3.01Å; F664-M666 HydrophobicContact CE1-CE 4.17Å; F664-M666 HydrophobicContact CZ-CE 4.45Å; F664-D669 WeakPolarHBondContact CA-OD2 3.49Å; F664-D669 HydrophobicContact CD2-CB 3.42Å; F664-D669 VanDerWaalsContact CD2-CB 3.42Å; F664-D669 HydrophobicContact CE2-CB 3.66Å; F664-D669 HydrophobicContact CG-CB 4.27Å; F664-F673 HydrophobicContact CE2-CB 4.12Å
665	Q	94.5	Very high	96.1	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.444	20%	0.201	S	C	.	.			trans	-121.4	126	173.1	-70.3	-178.4	72.5	0	0	111.4	N663 H667 L668 D669	N663-Q665 PolarHBondContact O-N 3.11Å; Q665-H667 PolarHBondContact O-N 2.95Å; Q665-H667 PolarHBondContact OE1-CE1 2.83Å; Q665-H667 VanDerWaalsContact OE1-CE1 3.28Å; Q665-L668 HydrophobicContact CB-CB 4.46Å; Q665-L668 HydrophobicContact CB-CD1 4.36Å; Q665-L668 HydrophobicContact CB-CG 4.43Å; Q665-L668 PolarHBondContact O-N 2.88Å; Q665-D669 PolarHBondContact N-OD2 3.23Å; Q665-D669 PolarHBondContact O-N 3.48Å
666	M	93.5	Very high	96.1	Very high	63 Å²	63	41.6 Å²	41.6	31%	0.31	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.1	-175.4	-175.9	58.4	67.8	0	0	114.8	N455 G456 L460 F664 R670	N455-M666 VanDerWaalsContact O-CE 3.3Å; N455-M666 WeakPolarHBondContact O-CE 3.36Å; G456-M666 VanDerWaalsContact C-CE 3.45Å; G456-M666 WeakPolarHBondContact O-CE 3.2Å; L460-M666 HydrophobicContact CB-CE 3.89Å; L460-M666 HydrophobicContact CB-SD 4.44Å; L460-M666 HydrophobicContact CD1-SD 4.39Å; L460-M666 HydrophobicContact CD2-CE 3.93Å; L460-M666 HydrophobicContact CD2-SD 3.84Å; L460-M666 HydrophobicContact CG-CE 4.43Å; L460-M666 HydrophobicContact CG-SD 4.45Å; F664-M666 HydrophobicContact CE1-CE 4.17Å; F664-M666 HydrophobicContact CZ-CE 4.45Å; M666-R670 WeakPolarHBondContact O-CB 3.43Å; M666-R670 HydrophobicContact SD-CB 4.3Å; M666-R670 HydrophobicContact SD-CG 4.47Å
667	H	90.4	Very high	96.1	Very high	133 Å²	133	41.2 Å²	41.2	62%	0.616	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.7	-178.7	69.9	-88.4	0	0	0	114.3	Q665	Q665-H667 PolarHBondContact O-N 2.95Å; Q665-H667 PolarHBondContact OE1-CE1 2.83Å; Q665-H667 VanDerWaalsContact OE1-CE1 3.28Å
668	L	90.4	Very high	96.1	Very high	38 Å²	38	43.4 Å²	43.4	20%	0.199	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-57.3	178.9	-57.8	178	0	0	0	111.1	Q665	Q665-L668 HydrophobicContact CB-CB 4.46Å; Q665-L668 HydrophobicContact CB-CD1 4.36Å; Q665-L668 HydrophobicContact CB-CG 4.43Å; Q665-L668 PolarHBondContact O-N 2.88Å
669	D	94.2	Very high	96	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.027	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10.5	-166.1	-62.2	-57.5	0	0	0	113.7	F664 Q665 Q671 Q672 F673 K986	F664-D669 WeakPolarHBondContact CA-OD2 3.49Å; F664-D669 HydrophobicContact CD2-CB 3.42Å; F664-D669 VanDerWaalsContact CD2-CB 3.42Å; F664-D669 HydrophobicContact CE2-CB 3.66Å; F664-D669 HydrophobicContact CG-CB 4.27Å; Q665-D669 PolarHBondContact N-OD2 3.23Å; Q665-D669 PolarHBondContact O-N 3.48Å; D669-Q671 VanDerWaalsContact C-N 3.34Å; D669-Q671 PolarHBondContact O-N 3.01Å; D669-Q672 WeakPolarHBondContact O-CB 3.47Å; D669-Q672 PolarHBondContact O-N 2.62Å; D669-Q672 VanDerWaalsContact O-N 3.11Å; D669-F673 PolarHBondContact O-N 3.41Å; D669-K986 VanDerWaalsContact OD1-CE 3.27Å; D669-K986 WeakPolarHBondContact OD1-CE 3.49Å; D669-K986 IonicContact OD1-NZ 3.91Å; D669-K986 PolarHBondContact OD1-NZ 3.39Å; D669-K986 IonicContact OD2-NZ 3.3Å; D669-K986 PolarHBondContact OD2-NZ 2.79Å
670	R	95.4	Very high	96	Very high	120 Å²	120	46.2 Å²	46.2	45%	0.453	22%	0.22	S	C	.	.	H	α-helix	trans	-49.8	-52.2	-179.8	168.9	175.9	-179.5	-174.1	4.2	111.7	L460 M666 Q672 F673 L674	L460-R670 HydrophobicContact CD1-CG 4.03Å; L460-R670 HydrophobicContact CD2-CB 4.38Å; L460-R670 HydrophobicContact CD2-CG 3.98Å; M666-R670 WeakPolarHBondContact O-CB 3.43Å; M666-R670 HydrophobicContact SD-CB 4.3Å; M666-R670 HydrophobicContact SD-CG 4.47Å; R670-Q672 VanDerWaalsContact C-N 3.3Å; R670-Q672 PolarHBondContact O-N 2.72Å; R670-F673 PolarHBondContact O-N 3.36Å; R670-L674 HydrophobicContact CG-CD1 3.61Å; R670-L674 HydrophobicContact CG-CG 4.19Å; R670-L674 WeakPolarHBondContact O-CB 3.43Å; R670-L674 WeakPolarHBondContact O-CG 3.21Å; R670-L674 PolarHBondContact O-N 2.85Å
671	Q	93.4	Very high	95.9	Very high	96 Å²	96	45.6 Å²	45.6	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-68.6	-30.6	-175.5	-165.4	65	36.8	0	0	112.3	D669 N675 R678	D669-Q671 VanDerWaalsContact C-N 3.34Å; D669-Q671 PolarHBondContact O-N 3.01Å; Q671-N675 PolarHBondContact NE2-OD1 3.48Å; Q671-N675 VanDerWaalsContact O-CB 3.24Å; Q671-N675 WeakPolarHBondContact O-CB 3.28Å; Q671-N675 PolarHBondContact O-N 3.46Å; Q671-N675 PolarHBondContact O-ND2 3.23Å; Q671-N675 PolarHBondContact O-OD1 3.11Å; Q671-R678 VanDerWaalsContact NE2-NH1 3.12Å
672	Q	95.3	Very high	95.9	Very high	34 Å²	34	49.1 Å²	49.1	16%	0.159	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-56.3	174.1	-166	-170.3	4.8	0	0	110	Y661 D669 R670 L674 N675 D676 S984	Y661-Q672 HydrophobicContact CE1-CG 4.18Å; D669-Q672 WeakPolarHBondContact O-CB 3.47Å; D669-Q672 PolarHBondContact O-N 2.62Å; D669-Q672 VanDerWaalsContact O-N 3.11Å; R670-Q672 VanDerWaalsContact C-N 3.3Å; R670-Q672 PolarHBondContact O-N 2.72Å; Q672-L674 PolarHBondContact O-N 3.05Å; Q672-N675 PolarHBondContact O-N 2.85Å; Q672-N675 VanDerWaalsContact O-N 3.17Å; Q672-D676 PolarHBondContact O-N 2.99Å; Q672-S984 WeakPolarHBondContact CA-OG 3.44Å; Q672-S984 WeakPolarHBondContact CG-O 3.27Å; Q672-S984 WeakPolarHBondContact CG-OG 3.33Å; Q672-S984 PolarHBondContact NE2-O 2.93Å; Q672-S984 PolarHBondContact O-OG 3.49Å
673	F	97.9	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.6	-47.6	178.2	164	-120.9	0	0	0	112.7	L457 L460 I461 F580 F635 F637 Y661 F664 D669 R670 N675 D676 L677	L457-F673 HydrophobicContact CD1-CD1 4.01Å; L457-F673 HydrophobicContact CD1-CE1 3.83Å; L457-F673 HydrophobicContact CD1-CZ 4.49Å; L460-F673 HydrophobicContact CD2-CD1 3.81Å; L460-F673 HydrophobicContact CD2-CE1 4.09Å; L460-F673 HydrophobicContact CG-CE1 4.42Å; I461-F673 HydrophobicContact CG1-CE1 3.99Å; I461-F673 HydrophobicContact CG1-CZ 3.83Å; F580-F673 HydrophobicContact CD1-CE2 4.04Å; F580-F673 AromaticContact CD1-CZ 3.99Å; F580-F673 HydrophobicContact CD1-CZ 3.99Å; F580-F673 AromaticContact CE1-CE2 3.84Å; F580-F673 HydrophobicContact CE1-CE2 3.84Å; F580-F673 AromaticContact CE1-CZ 3.78Å; F580-F673 HydrophobicContact CE1-CZ 3.78Å; F635-F673 HydrophobicContact CB-CE2 4.46Å; F635-F673 AromaticContact CD1-CD2 3.98Å; F635-F673 HydrophobicContact CD1-CD2 3.98Å; F635-F673 AromaticContact CD1-CE2 3.79Å; F635-F673 HydrophobicContact CD1-CE2 3.79Å; F635-F673 HydrophobicContact CE1-CE2 4.34Å; F635-F673 HydrophobicContact CG-CE2 4.21Å; F637-F673 HydrophobicContact CE1-CB 4.36Å; F637-F673 HydrophobicContact CE1-CD1 4.41Å; F637-F673 AromaticContact CE1-CD2 3.96Å; F637-F673 HydrophobicContact CE1-CD2 3.96Å; F637-F673 HydrophobicContact CE1-CE2 4.43Å; F637-F673 AromaticContact CE1-CG 3.95Å; F637-F673 HydrophobicContact CE1-CG 3.95Å; F637-F673 HydrophobicContact CZ-CD1 4.44Å; F637-F673 AromaticContact CZ-CD2 3.58Å; F637-F673 HydrophobicContact CZ-CD2 3.58Å; F637-F673 AromaticContact CZ-CE2 3.67Å; F637-F673 HydrophobicContact CZ-CE2 3.67Å; F637-F673 HydrophobicContact CZ-CG 4.01Å; F637-F673 HydrophobicContact CZ-CZ 4.14Å; Y661-F673 HydrophobicContact CE1-CB 4.14Å; Y661-F673 HydrophobicContact CE2-CB 4.33Å; Y661-F673 AromaticContact CE2-CD2 3.91Å; Y661-F673 HydrophobicContact CE2-CD2 3.91Å; F664-F673 HydrophobicContact CE2-CB 4.12Å; D669-F673 PolarHBondContact O-N 3.41Å; R670-F673 PolarHBondContact O-N 3.36Å; F673-N675 VanDerWaalsContact C-N 3.34Å; F673-N675 PolarHBondContact O-N 2.69Å; F673-D676 PolarHBondContact O-N 2.84Å; F673-L677 HydrophobicContact CE2-CB 4.07Å; F673-L677 HydrophobicContact CE2-CD2 4.11Å; F673-L677 HydrophobicContact CZ-CB 4.48Å; F673-L677 HydrophobicContact CZ-CD2 3.77Å; F673-L677 WeakPolarHBondContact O-CB 3.25Å; F673-L677 PolarHBondContact O-N 3.27Å
674	L	97.8	Very high	95.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-34.8	-179.6	-63.1	176.7	0	0	0	112.5	L460 E464 R670 Q672 R678	L460-L674 HydrophobicContact CD1-CD1 4.17Å; L460-L674 HydrophobicContact CD1-CD2 4.06Å; L460-L674 HydrophobicContact CD1-CG 4.47Å; L460-L674 HydrophobicContact CD2-CD2 4.33Å; L460-L674 HydrophobicContact CG-CD2 4.06Å; E464-L674 HydrophobicContact CB-CD2 3.83Å; E464-L674 HydrophobicContact CG-CD2 3.69Å; E464-L674 WeakPolarHBondContact OE2-CD1 3.19Å; R670-L674 HydrophobicContact CG-CD1 3.61Å; R670-L674 HydrophobicContact CG-CG 4.19Å; R670-L674 WeakPolarHBondContact O-CB 3.43Å; R670-L674 WeakPolarHBondContact O-CG 3.21Å; R670-L674 PolarHBondContact O-N 2.85Å; Q672-L674 PolarHBondContact O-N 3.05Å; L674-R678 WeakPolarHBondContact O-CB 3.4Å; L674-R678 WeakPolarHBondContact O-CD 3.49Å; L674-R678 WeakPolarHBondContact O-CG 3.25Å; L674-R678 PolarHBondContact O-N 3.42Å
675	N	96.6	Very high	95.9	Very high	65 Å²	65	48.1 Å²	48.1	35%	0.348	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-44.1	175	-74.2	-7.5	0	0	0	111.6	Q671 Q672 F673 R678 N679	Q671-N675 PolarHBondContact NE2-OD1 3.48Å; Q671-N675 VanDerWaalsContact O-CB 3.24Å; Q671-N675 WeakPolarHBondContact O-CB 3.28Å; Q671-N675 PolarHBondContact O-N 3.46Å; Q671-N675 PolarHBondContact O-ND2 3.23Å; Q671-N675 PolarHBondContact O-OD1 3.11Å; Q672-N675 PolarHBondContact O-N 2.85Å; Q672-N675 VanDerWaalsContact O-N 3.17Å; F673-N675 VanDerWaalsContact C-N 3.34Å; F673-N675 PolarHBondContact O-N 2.69Å; N675-R678 PolarHBondContact O-N 3.19Å; N675-R678 PolarHBondContact OD1-NH1 3.37Å; N675-R678 VanDerWaalsContact OD1-NH1 3.14Å; N675-N679 WeakPolarHBondContact O-CB 3.36Å; N675-N679 PolarHBondContact O-N 2.57Å
676	D	98.4	Very high	96.1	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-45.1	177	-72	-17.9	0	0	0	111.9	F635 Y659 Y661 Q672 F673 N679 D680 S984	F635-D676 HydrophobicContact CE1-CB 4.33Å; Y659-D676 HydrophobicContact CD1-CB 3.7Å; Y659-D676 WeakPolarHBondContact CD1-OD2 3.24Å; Y659-D676 HydrophobicContact CE1-CB 3.62Å; Y659-D676 HydrophobicContact CG-CB 4.48Å; Y661-D676 WeakPolarHBondContact CE1-OD2 3.35Å; Y661-D676 WeakPolarHBondContact OH-CB 3.44Å; Y661-D676 PolarHBondContact OH-OD2 3.4Å; Q672-D676 PolarHBondContact O-N 2.99Å; F673-D676 PolarHBondContact O-N 2.84Å; D676-N679 PolarHBondContact O-N 2.71Å; D676-D680 WeakPolarHBondContact O-CB 3.29Å; D676-D680 PolarHBondContact O-N 3.22Å; D676-S984 VanDerWaalsContact CG-OG 3.24Å; D676-S984 WeakPolarHBondContact OD1-CB 3.39Å; D676-S984 PolarHBondContact OD1-N 3.01Å; D676-S984 PolarHBondContact OD1-OG 3.14Å
677	L	98.4	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-39.2	178.6	-174.7	62.5	0	0	0	111.7	M468 F578 F580 F635 F673 D680 I681	M468-L677 HydrophobicContact CE-CB 3.95Å; M468-L677 HydrophobicContact CE-CD2 3.95Å; M468-L677 HydrophobicContact CE-CG 3.51Å; M468-L677 WeakPolarHBondContact CE-O 3.49Å; M468-L677 HydrophobicContact SD-CD2 3.67Å; M468-L677 HydrophobicContact SD-CG 3.94Å; F578-L677 HydrophobicContact CD1-CD1 4.2Å; F580-L677 HydrophobicContact CE1-CD1 3.78Å; F580-L677 HydrophobicContact CE1-CD2 3.91Å; F580-L677 HydrophobicContact CE1-CG 4.45Å; F580-L677 HydrophobicContact CZ-CD1 3.76Å; F580-L677 HydrophobicContact CZ-CD2 4.04Å; F635-L677 HydrophobicContact CD2-CD1 4.38Å; F635-L677 HydrophobicContact CE1-CB 4.12Å; F635-L677 HydrophobicContact CE1-CD1 4.08Å; F635-L677 HydrophobicContact CE2-CD1 3.63Å; F635-L677 HydrophobicContact CZ-CB 4.25Å; F635-L677 HydrophobicContact CZ-CD1 3.46Å; F635-L677 VanDerWaalsContact CZ-CD1 3.46Å; F635-L677 HydrophobicContact CZ-CG 4.46Å; F673-L677 HydrophobicContact CE2-CB 4.07Å; F673-L677 HydrophobicContact CE2-CD2 4.11Å; F673-L677 HydrophobicContact CZ-CB 4.48Å; F673-L677 HydrophobicContact CZ-CD2 3.77Å; F673-L677 WeakPolarHBondContact O-CB 3.25Å; F673-L677 PolarHBondContact O-N 3.27Å; L677-D680 PolarHBondContact O-N 3.17Å; L677-I681 HydrophobicContact CD1-CD1 4.4Å; L677-I681 HydrophobicContact CD1-CG1 4.45Å; L677-I681 WeakPolarHBondContact O-CG1 3.5Å; L677-I681 PolarHBondContact O-N 2.77Å; L677-I681 VanDerWaalsContact O-N 3.09Å
678	R	97.8	Very high	96.8	Very high	48 Å²	48	34.8 Å²	34.8	18%	0.181	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-47.8	176	-72.4	166.6	-163.7	136.1	-4.4	110.3	E464 M468 Q671 L674 N675 D680 I681 E682	E464-R678 IonicContact OE1-CZ 3.16Å; E464-R678 IonicContact OE1-NE 2.71Å; E464-R678 PolarHBondContact OE1-NE 3.07Å; E464-R678 IonicContact OE1-NH2 2.77Å; E464-R678 PolarHBondContact OE1-NH2 3.21Å; E464-R678 IonicContact OE2-CZ 2.71Å; E464-R678 IonicContact OE2-NH2 3.29Å; E464-R678 PolarHBondContact OE2-NH2 3.14Å; M468-R678 HydrophobicContact CE-CB 3.95Å; M468-R678 HydrophobicContact CE-CG 3.43Å; M468-R678 VanDerWaalsContact CE-CG 3.43Å; M468-R678 HydrophobicContact SD-CG 4.45Å; Q671-R678 VanDerWaalsContact NE2-NH1 3.12Å; L674-R678 WeakPolarHBondContact O-CB 3.4Å; L674-R678 WeakPolarHBondContact O-CD 3.49Å; L674-R678 WeakPolarHBondContact O-CG 3.25Å; L674-R678 PolarHBondContact O-N 3.42Å; N675-R678 PolarHBondContact O-N 3.19Å; N675-R678 PolarHBondContact OD1-NH1 3.37Å; N675-R678 VanDerWaalsContact OD1-NH1 3.14Å; R678-D680 PolarHBondContact O-N 3.47Å; R678-I681 PolarHBondContact O-N 3.35Å; R678-E682 VanDerWaalsContact O-CB 3.32Å; R678-E682 WeakPolarHBondContact O-CB 3.43Å; R678-E682 VanDerWaalsContact O-CG 3.26Å; R678-E682 WeakPolarHBondContact O-CG 3.36Å; R678-E682 PolarHBondContact O-N 3.13Å
679	N	96.9	Very high	97.1	Very high	66 Å²	66	33 Å²	33	35%	0.353	15%	0.151	S	C	.	.	H	α-helix	trans	-58.4	-48.2	175.4	-167.1	42.7	0	0	0	111.5	N675 D676 I681 E682 K683 P982	N675-N679 WeakPolarHBondContact O-CB 3.36Å; N675-N679 PolarHBondContact O-N 2.57Å; D676-N679 PolarHBondContact O-N 2.71Å; N679-I681 VanDerWaalsContact C-N 3.32Å; N679-I681 PolarHBondContact O-N 3.27Å; N679-E682 PolarHBondContact O-N 2.73Å; N679-K683 VanDerWaalsContact O-CG 3.29Å; N679-K683 WeakPolarHBondContact O-CG 3.26Å; N679-K683 PolarHBondContact O-N 2.68Å; N679-P982 PolarHBondContact ND2-O 3.37Å
680	D	98.4	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-73.1	-17.8	-174.3	-156.8	67	0	0	0	114.8	K576 T633 F635 T657 Y659 D676 L677 R678 K683	K576-D680 VanDerWaalsContact CE-OD2 3.24Å; K576-D680 WeakPolarHBondContact CE-OD2 3.38Å; K576-D680 PolarHBondContact NZ-O 3.3Å; K576-D680 IonicContact NZ-OD1 2.72Å; K576-D680 IonicContact NZ-OD2 3.16Å; K576-D680 PolarHBondContact NZ-OD2 2.99Å; T633-D680 WeakPolarHBondContact CG2-OD2 3.34Å; T633-D680 PolarHBondContact OG1-OD2 2.93Å; F635-D680 HydrophobicContact CZ-CB 4.15Å; T657-D680 PolarHBondContact OG1-OD1 3.06Å; Y659-D680 HydrophobicContact CE2-CB 4.01Å; Y659-D680 PolarHBondContact OH-OD1 3.3Å; D676-D680 WeakPolarHBondContact O-CB 3.29Å; D676-D680 PolarHBondContact O-N 3.22Å; L677-D680 PolarHBondContact O-N 3.17Å; R678-D680 PolarHBondContact O-N 3.47Å; D680-K683 WeakPolarHBondContact OD1-CE 3.48Å; D680-K683 IonicContact OD1-NZ 3.18Å; D680-K683 PolarHBondContact OD1-NZ 3.01Å
681	I	98	Very high	97.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-83	-46.6	166.2	-67.2	-173.9	0	0	0	111.4	F442 F444 L465 M468 L472 P473 F578 L677 R678 N679 K683	F442-I681 HydrophobicContact CE2-CG2 4.39Å; F444-I681 HydrophobicContact CE1-CD1 3.79Å; F444-I681 HydrophobicContact CZ-CD1 4.02Å; L465-I681 HydrophobicContact CD2-CD1 4.31Å; M468-I681 HydrophobicContact CB-CD1 4.26Å; M468-I681 HydrophobicContact CE-CD1 3.91Å; M468-I681 HydrophobicContact CE-CG1 4.47Å; M468-I681 HydrophobicContact SD-CD1 4.46Å; L472-I681 HydrophobicContact CD2-CG2 4.36Å; P473-I681 WeakPolarHBondContact CD-O 3.26Å; P473-I681 WeakPolarHBondContact CG-O 3.45Å; F578-I681 HydrophobicContact CD1-CG1 4.37Å; F578-I681 HydrophobicContact CE1-CG1 3.6Å; F578-I681 HydrophobicContact CZ-CG1 3.86Å; L677-I681 HydrophobicContact CD1-CD1 4.4Å; L677-I681 HydrophobicContact CD1-CG1 4.45Å; L677-I681 WeakPolarHBondContact O-CG1 3.5Å; L677-I681 PolarHBondContact O-N 2.77Å; L677-I681 VanDerWaalsContact O-N 3.09Å; R678-I681 PolarHBondContact O-N 3.35Å; N679-I681 VanDerWaalsContact C-N 3.32Å; N679-I681 PolarHBondContact O-N 3.27Å; I681-K683 VanDerWaalsContact C-N 3.27Å; I681-K683 PolarHBondContact O-N 3.22Å
682	E	97.1	Very high	97.8	Very high	81 Å²	81	28.8 Å²	28.8	38%	0.379	13%	0.134	S	C	.	.	H	α-helix	trans	-74.4	-13.6	-173.6	-67.2	175.3	-143.6	0	0	113.8	K471 R678 N679	K471-E682 HydrophobicContact CB-CG 4.23Å; K471-E682 HydrophobicContact CD-CG 4.22Å; K471-E682 WeakPolarHBondContact CD-OE1 3.4Å; K471-E682 WeakPolarHBondContact CE-OE1 3.27Å; K471-E682 IonicContact NZ-OE1 3.06Å; K471-E682 PolarHBondContact NZ-OE1 2.57Å; K471-E682 IonicContact NZ-OE2 2.8Å; R678-E682 VanDerWaalsContact O-CB 3.32Å; R678-E682 WeakPolarHBondContact O-CB 3.43Å; R678-E682 VanDerWaalsContact O-CG 3.26Å; R678-E682 WeakPolarHBondContact O-CG 3.36Å; R678-E682 PolarHBondContact O-N 3.13Å; N679-E682 PolarHBondContact O-N 2.73Å
683	K	96.3	Very high	97.9	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.039	13%	0.129	C	C	.	.	S	Bend	trans	-47.1	146.9	177.3	-93.9	172	-171	-172.9	0	114.7	N679 D680 I681 I685 D722 D724	N679-K683 VanDerWaalsContact O-CG 3.29Å; N679-K683 WeakPolarHBondContact O-CG 3.26Å; N679-K683 PolarHBondContact O-N 2.68Å; D680-K683 WeakPolarHBondContact OD1-CE 3.48Å; D680-K683 IonicContact OD1-NZ 3.18Å; D680-K683 PolarHBondContact OD1-NZ 3.01Å; I681-K683 VanDerWaalsContact C-N 3.27Å; I681-K683 PolarHBondContact O-N 3.22Å; K683-I685 HydrophobicContact CB-CD1 4.1Å; K683-I685 HydrophobicContact CB-CG1 3.82Å; K683-I685 PolarHBondContact O-N 3.34Å; K683-D722 HydrophobicContact CD-CB 3.9Å; K683-D722 WeakPolarHBondContact CD-OD2 3.39Å; K683-D722 WeakPolarHBondContact CE-OD2 3.26Å; K683-D722 HydrophobicContact CG-CB 4.48Å; K683-D722 IonicContact NZ-OD2 2.69Å; K683-D722 PolarHBondContact NZ-OD2 2.79Å; K683-D724 WeakPolarHBondContact CE-OD2 3.42Å; K683-D724 IonicContact NZ-OD2 3.68Å; K683-D724 PolarHBondContact NZ-OD2 2.69Å
684	K	96.2	Very high	98	Very high	134 Å²	134	29.4 Å²	29.4	58%	0.583	14%	0.136	S	C	*	.			trans	-80.2	114.7	164.5	-56.6	-51.1	-176.1	-172.4	0	109	D722 C723	K684-D722 WeakPolarHBondContact O-CA 3.35Å; K684-C723 PolarHBondContact O-N 3.38Å
685	I	97.9	Very high	98	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.082	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.1	-172.8	-55.3	174.8	0	0	0	109.9	K576 K683 F687 A720 I721 D722	K576-I685 HydrophobicContact CD-CD1 3.96Å; K683-I685 HydrophobicContact CB-CD1 4.1Å; K683-I685 HydrophobicContact CB-CG1 3.82Å; K683-I685 PolarHBondContact O-N 3.34Å; I685-F687 HydrophobicContact CB-CE2 4.03Å; I685-F687 HydrophobicContact CB-CZ 4.39Å; I685-F687 HydrophobicContact CG2-CD2 4.08Å; I685-F687 HydrophobicContact CG2-CE1 4.24Å; I685-F687 HydrophobicContact CG2-CE2 3.55Å; I685-F687 HydrophobicContact CG2-CZ 3.63Å; I685-A720 HydrophobicContact CG2-CB 3.79Å; I685-I721 CarbonylContact C-O 3.43Å; I685-I721 WeakPolarHBondContact CA-O 3.44Å; I685-D722 HydrophobicContact CG1-CB 4.16Å
686	G	98.3	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.3	163.4	0	0	0	0	0	111	A720 I721	G686-A720 CarbonylContact O-C 3.45Å; G686-A720 WeakPolarHBondContact O-CA 3.48Å; G686-I721 PolarHBondContact N-O 3.03Å; G686-I721 PolarHBondContact O-N 3.43Å
687	F	98.9	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	158.6	-175.6	-76.3	-82	0	0	0	113	P440 F442 P574 G575 K576 I685 A689 A720 T752 I754	P440-F687 HydrophobicContact CB-CD1 4.34Å; P440-F687 HydrophobicContact CB-CD2 3.84Å; P440-F687 HydrophobicContact CB-CE1 4.43Å; P440-F687 HydrophobicContact CB-CE2 3.93Å; P440-F687 HydrophobicContact CB-CG 4.06Å; P440-F687 HydrophobicContact CB-CZ 4.23Å; P440-F687 HydrophobicContact CG-CD2 3.71Å; P440-F687 HydrophobicContact CG-CE2 3.77Å; P440-F687 HydrophobicContact CG-CG 4.38Å; F442-F687 HydrophobicContact CE1-CE2 4.34Å; F442-F687 AromaticContact CE1-CZ 3.88Å; F442-F687 HydrophobicContact CE1-CZ 3.88Å; P574-F687 HydrophobicContact CB-CB 3.93Å; P574-F687 HydrophobicContact CB-CD1 4.35Å; P574-F687 HydrophobicContact CB-CG 4.41Å; P574-F687 HydrophobicContact CG-CB 4.04Å; G575-F687 WeakPolarHBondContact O-CE1 3.14Å; K576-F687 HydrophobicContact CB-CE1 3.95Å; K576-F687 HydrophobicContact CB-CZ 4.04Å; I685-F687 HydrophobicContact CB-CE2 4.03Å; I685-F687 HydrophobicContact CB-CZ 4.39Å; I685-F687 HydrophobicContact CG2-CD2 4.08Å; I685-F687 HydrophobicContact CG2-CE1 4.24Å; I685-F687 HydrophobicContact CG2-CE2 3.55Å; I685-F687 HydrophobicContact CG2-CZ 3.63Å; F687-A689 VanDerWaalsContact C-N 3.25Å; F687-A689 PolarHBondContact O-N 3.27Å; F687-A720 HydrophobicContact CD1-CB 3.94Å; F687-A720 HydrophobicContact CE1-CB 3.87Å; F687-T752 PolarHBondContact N-O 3.21Å; F687-T752 PolarHBondContact O-N 2.87Å; F687-I754 HydrophobicContact CE2-CG2 4.42Å
688	D	98.4	Very high	98.1	Very high	11 Å²	11	32 Å²	32	6%	0.059	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.8	49	178.1	-177.8	42.7	0	0	0	112	R432 P574 A719 R758	R432-D688 VanDerWaalsContact CD-OD2 3.32Å; R432-D688 WeakPolarHBondContact CD-OD2 3.44Å; R432-D688 IonicContact CZ-OD1 3.59Å; R432-D688 IonicContact CZ-OD2 3.95Å; R432-D688 IonicContact NE-OD1 3.47Å; R432-D688 PolarHBondContact NE-OD1 3.1Å; R432-D688 IonicContact NE-OD2 2.63Å; R432-D688 PolarHBondContact NE-OD2 3.39Å; R432-D688 IonicContact NH2-OD1 2.68Å; R432-D688 PolarHBondContact NH2-OD1 3.1Å; P574-D688 HydrophobicContact CB-CB 4.43Å; D688-A719 PolarHBondContact N-O 3.42Å; D688-R758 PolarHBondContact O-NH1 2.86Å; D688-R758 PolarHBondContact O-NH2 3.06Å; D688-R758 IonicContact OD2-CZ 2.81Å; D688-R758 IonicContact OD2-NH1 2.61Å; D688-R758 PolarHBondContact OD2-NH1 3.32Å; D688-R758 IonicContact OD2-NH2 2.69Å; D688-R758 PolarHBondContact OD2-NH2 2.99Å
689	A	98.6	Very high	98.1	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.4	-166.1	0	0	0	0	0	112	F687 M718 I721 V749 L750	F687-A689 VanDerWaalsContact C-N 3.25Å; F687-A689 PolarHBondContact O-N 3.27Å; A689-M718 WeakPolarHBondContact CA-O 3.45Å; A689-M718 HydrophobicContact CB-CB 4.26Å; A689-M718 HydrophobicContact CB-CE 4.44Å; A689-M718 WeakPolarHBondContact CB-O 3.41Å; A689-M718 PolarHBondContact N-O 3.1Å; A689-M718 PolarHBondContact O-N 3.47Å; A689-I721 HydrophobicContact CB-CG2 3.87Å; A689-V749 HydrophobicContact CB-CG1 4.25Å; A689-L750 CarbonylContact C-O 3.6Å; A689-L750 WeakPolarHBondContact CA-O 3.36Å
690	I	98.6	Very high	98.2	Very high	59 Å²	59	33 Å²	33	30%	0.303	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	114.1	173.5	-54.8	179	0	0	0	108.2	D715 V716 L750	I690-D715 HydrophobicContact CG2-CB 3.91Å; I690-V716 WeakPolarHBondContact CA-O 3.32Å; I690-L750 PolarHBondContact N-O 2.82Å; I690-L750 PolarHBondContact O-N 2.92Å
691	M	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.5	172.8	177.6	-177.7	74.7	0	0	110.5	P339 V693 V716 M718 V727 V729 A748 V749	P339-M691 HydrophobicContact CG-SD 4.45Å; M691-V693 HydrophobicContact CE-CG2 4.38Å; M691-V693 HydrophobicContact SD-CG2 4.46Å; M691-V716 HydrophobicContact CB-CB 4.18Å; M691-V716 HydrophobicContact CE-CB 4.02Å; M691-V716 HydrophobicContact CE-CG1 4.06Å; M691-V716 HydrophobicContact CE-CG2 3.93Å; M691-V716 PolarHBondContact N-O 3.05Å; M691-V716 WeakPolarHBondContact O-CB 3.4Å; M691-V716 PolarHBondContact O-N 2.87Å; M691-M718 HydrophobicContact CB-CE 3.6Å; M691-V727 HydrophobicContact CE-CB 3.8Å; M691-V727 HydrophobicContact CE-CG1 3.71Å; M691-V727 HydrophobicContact CE-CG2 4.09Å; M691-V729 HydrophobicContact CE-CG2 4.4Å; M691-A748 CarbonylContact C-O 3.47Å; M691-A748 WeakPolarHBondContact CA-O 3.12Å; M691-V749 HydrophobicContact CB-CG1 4.42Å; M691-V749 HydrophobicContact CB-CG2 4.03Å; M691-V749 HydrophobicContact CG-CG2 3.98Å; M691-V749 HydrophobicContact SD-CG2 4.49Å
692	R	98.7	Very high	98.2	Very high	72 Å²	72	35.9 Å²	35.9	27%	0.272	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	112.8	173.3	179.8	54.8	170.1	-101	14.2	110.3	T714 D715 A748	R692-T714 WeakPolarHBondContact CD-O 3.16Å; R692-T714 PolarHBondContact NH1-OG1 2.95Å; R692-T714 VanDerWaalsContact NH2-CB 3.26Å; R692-T714 PolarHBondContact NH2-OG1 2.87Å; R692-D715 WeakPolarHBondContact CD-OD1 3.16Å; R692-D715 IonicContact CZ-OD1 3.57Å; R692-D715 IonicContact NE-OD1 3.89Å; R692-D715 IonicContact NH1-OD1 2.69Å; R692-D715 PolarHBondContact NH1-OD1 3.07Å; R692-D715 IonicContact NH1-OD2 2.92Å; R692-D715 PolarHBondContact NH1-OD2 3.01Å; R692-A748 PolarHBondContact N-O 3.23Å; R692-A748 PolarHBondContact O-N 3.37Å
693	V	98.8	Very high	98.3	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.6	172.4	-176.9	0	0	0	0	109.6	I337 M691 F704 V729 F731 I745	I337-V693 HydrophobicContact CD1-CG2 3.91Å; M691-V693 HydrophobicContact CE-CG2 4.38Å; M691-V693 HydrophobicContact SD-CG2 4.46Å; V693-F704 HydrophobicContact CG2-CE1 4.45Å; V693-V729 HydrophobicContact CG2-CG2 4.26Å; V693-F731 HydrophobicContact CG1-CE1 4.1Å; V693-F731 HydrophobicContact CG1-CZ 4.38Å; V693-I745 HydrophobicContact CG1-CG2 3.94Å
694	R	98.8	Very high	98.4	Very high	37 Å²	37	34.9 Å²	34.9	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.6	173.3	-67.1	176.6	-179.5	73	8.3	109.5	K367 I745 Q746	K367-R694 PolarHBondContact O-NE 3.24Å; R694-I745 WeakPolarHBondContact O-CA 3.33Å; R694-Q746 HydrophobicContact CB-CB 4.44Å; R694-Q746 PolarHBondContact N-O 3.19Å; R694-Q746 PolarHBondContact O-N 3.29Å
695	T	98.8	Very high	98.5	Very high	28 Å²	28	28.7 Å²	28.7	17%	0.172	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	161.9	-174.3	48	0	0	0	0	110.4	F699 R700 F731 L744	T695-F699 VanDerWaalsContact CB-O 3.26Å; T695-F699 WeakPolarHBondContact CB-O 3.43Å; T695-F699 HydrophobicContact CG2-CD1 4.45Å; T695-F699 HydrophobicContact CG2-CD2 3.83Å; T695-F699 HydrophobicContact CG2-CE1 4.09Å; T695-F699 HydrophobicContact CG2-CE2 3.41Å; T695-F699 VanDerWaalsContact CG2-CE2 3.41Å; T695-F699 HydrophobicContact CG2-CG 4.34Å; T695-F699 HydrophobicContact CG2-CZ 3.57Å; T695-F699 PolarHBondContact OG1-O 2.69Å; T695-R700 WeakPolarHBondContact OG1-CA 3.42Å; T695-F731 HydrophobicContact CG2-CD1 3.96Å; T695-F731 HydrophobicContact CG2-CE1 3.77Å; T695-L744 CarbonylContact C-O 3.58Å; T695-L744 VanDerWaalsContact CA-O 3.24Å; T695-L744 WeakPolarHBondContact CA-O 3.34Å
696	S	98.6	Very high	98.5	Very high	8 Å²	8	28.1 Å²	28.1	6%	0.056	14%	0.142	C	C	.	.			trans	-75.8	159.3	167.3	59.5	0	0	0	0	112.1	F387 G698 F699 L744	F387-S696 CarbonylContact O-C 3.17Å; F387-S696 VanDerWaalsContact O-CA 3.24Å; F387-S696 WeakPolarHBondContact O-CA 3Å; S696-G698 PolarHBondContact O-N 3.17Å; S696-F699 VanDerWaalsContact O-CD1 3.29Å; S696-F699 WeakPolarHBondContact O-CD1 3.11Å; S696-F699 PolarHBondContact O-N 2.89Å; S696-F699 WeakPolarHBondContact OG-CE1 3.31Å; S696-L744 PolarHBondContact N-O 2.97Å; S696-L744 PolarHBondContact OG-N 2.93Å
697	T	98.1	Very high	98.5	Very high	84 Å²	84	28.6 Å²	28.6	52%	0.515	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	136.9	171.1	-59.5	0	0	0	0	111.5	F387 L737	F387-T697 PolarHBondContact O-N 3.42Å; F387-T697 PolarHBondContact O-OG1 3.44Å; T697-L737 WeakPolarHBondContact O-CD2 3.22Å
698	G	97.5	Very high	98.4	Very high	4 Å²	4	29.4 Å²	29.4	4%	0.041	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	-23.7	-177.9	0	0	0	0	0	114.2	S696 H733 D734 D735 K736	S696-G698 PolarHBondContact O-N 3.17Å; G698-H733 CarbonylContact O-C 3.58Å; G698-H733 WeakPolarHBondContact O-CA 3.38Å; G698-D734 PolarHBondContact O-N 2.87Å; G698-D735 PolarHBondContact O-N 3.13Å; G698-D735 VanDerWaalsContact O-N 3.08Å; G698-K736 WeakPolarHBondContact CA-O 3.44Å
699	F	98.7	Very high	98.4	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.022	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.8	178.6	80.1	-63.3	0	0	0	113.3	F319 T695 S696 F731 K732 L737 A743 L744 I745	F319-F699 HydrophobicContact CD2-CD2 4.3Å; F319-F699 HydrophobicContact CD2-CE2 4.36Å; F319-F699 AromaticContact CE2-CD2 3.79Å; F319-F699 HydrophobicContact CE2-CD2 3.79Å; F319-F699 AromaticContact CE2-CE2 3.7Å; F319-F699 HydrophobicContact CE2-CE2 3.7Å; F319-F699 HydrophobicContact CE2-CZ 4.5Å; F319-F699 HydrophobicContact CZ-CE2 4.47Å; T695-F699 VanDerWaalsContact CB-O 3.26Å; T695-F699 WeakPolarHBondContact CB-O 3.43Å; T695-F699 HydrophobicContact CG2-CD1 4.45Å; T695-F699 HydrophobicContact CG2-CD2 3.83Å; T695-F699 HydrophobicContact CG2-CE1 4.09Å; T695-F699 HydrophobicContact CG2-CE2 3.41Å; T695-F699 VanDerWaalsContact CG2-CE2 3.41Å; T695-F699 HydrophobicContact CG2-CG 4.34Å; T695-F699 HydrophobicContact CG2-CZ 3.57Å; T695-F699 PolarHBondContact OG1-O 2.69Å; S696-F699 VanDerWaalsContact O-CD1 3.29Å; S696-F699 WeakPolarHBondContact O-CD1 3.11Å; S696-F699 PolarHBondContact O-N 2.89Å; S696-F699 WeakPolarHBondContact OG-CE1 3.31Å; F699-F731 HydrophobicContact CD2-CB 3.97Å; F699-F731 AromaticContact CD2-CD1 3.83Å; F699-F731 HydrophobicContact CD2-CD1 3.83Å; F699-F731 HydrophobicContact CD2-CG 4.02Å; F699-F731 HydrophobicContact CE2-CB 4.47Å; F699-F731 AromaticContact CE2-CD1 3.74Å; F699-F731 HydrophobicContact CE2-CD1 3.74Å; F699-F731 HydrophobicContact CE2-CE1 4.11Å; F699-F731 HydrophobicContact CE2-CG 4.04Å; F699-K732 VanDerWaalsContact CA-O 3.31Å; F699-K732 WeakPolarHBondContact CA-O 3.37Å; F699-K732 WeakPolarHBondContact CB-O 3.31Å; F699-L737 HydrophobicContact CB-CD2 4.43Å; F699-L737 HydrophobicContact CD1-CD2 3.73Å; F699-L737 HydrophobicContact CE1-CD2 4.45Å; F699-L737 HydrophobicContact CG-CD2 4.41Å; F699-A743 HydrophobicContact CD1-CB 4.36Å; F699-A743 HydrophobicContact CE1-CB 3.72Å; F699-A743 HydrophobicContact CZ-CB 3.93Å; F699-L744 VanDerWaalsContact CZ-O 3.31Å; F699-L744 WeakPolarHBondContact CZ-O 3.5Å; F699-I745 HydrophobicContact CE2-CG1 4.16Å; F699-I745 HydrophobicContact CZ-CG1 3.86Å
700	R	98.5	Very high	98.4	Very high	131 Å²	131	32.2 Å²	32.2	49%	0.494	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.4	171.6	68.6	174.5	171.3	-117.2	-1.5	112.7	T695 T702 F731 K732 D734	T695-R700 WeakPolarHBondContact OG1-CA 3.42Å; R700-T702 HydrophobicContact CG-CG2 3.99Å; R700-F731 VanDerWaalsContact O-CA 3.25Å; R700-F731 WeakPolarHBondContact O-CA 3.15Å; R700-K732 PolarHBondContact N-O 3.24Å; R700-K732 PolarHBondContact O-N 3.29Å; R700-D734 VanDerWaalsContact CD-OD2 3.23Å; R700-D734 WeakPolarHBondContact CD-OD2 3.32Å; R700-D734 WeakPolarHBondContact CG-OD1 3.48Å; R700-D734 WeakPolarHBondContact CG-OD2 3.43Å; R700-D734 IonicContact CZ-OD1 3.83Å; R700-D734 IonicContact CZ-OD2 3.23Å; R700-D734 IonicContact NE-OD1 2.7Å; R700-D734 PolarHBondContact NE-OD1 3.07Å; R700-D734 IonicContact NE-OD2 3.95Å; R700-D734 IonicContact NH1-OD1 2.62Å; R700-D734 PolarHBondContact NH1-OD1 2.71Å; R700-D734 IonicContact NH1-OD2 2.69Å; R700-D734 PolarHBondContact NH1-OD2 3.24Å; R700-D734 IonicContact NH2-OD1 2.69Å; R700-D734 PolarHBondContact NH2-OD1 3.4Å
701	A	98.6	Very high	98.2	Very high	14 Å²	14	34.2 Å²	34.2	12%	0.116	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	135.9	162.6	0	0	0	0	0	109.3	F704 V729 E730 F731	A701-F704 HydrophobicContact CB-CE1 4.35Å; A701-F704 HydrophobicContact CB-CE2 4.32Å; A701-F704 HydrophobicContact CB-CZ 3.72Å; A701-V729 HydrophobicContact CB-CG1 3.58Å; A701-E730 WeakPolarHBondContact CA-O 3.37Å; A701-F731 HydrophobicContact CB-CD1 4.09Å; A701-F731 HydrophobicContact CB-CE1 4.02Å
702	T	98.3	Very high	98	Very high	49 Å²	49	37.5 Å²	37.5	30%	0.301	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-28.3	-179.7	58.9	0	0	0	0	113.5	R700 E730 K732	R700-T702 HydrophobicContact CG-CG2 3.99Å; T702-E730 PolarHBondContact N-O 3.31Å; T702-K732 HydrophobicContact CG2-CB 3.83Å; T702-K732 HydrophobicContact CG2-CG 3.66Å; T702-K732 WeakPolarHBondContact OG1-CG 3.36Å
703	D	98.6	Very high	97.8	Very high	59 Å²	59	39.6 Å²	39.6	32%	0.316	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146.5	-172.8	-128.5	-57.1	0	0	0	111.1	F705 V729 E730 K795	D703-F705 HydrophobicContact CB-CE2 3.98Å; D703-F705 HydrophobicContact CB-CZ 4.11Å; D703-V729 WeakPolarHBondContact O-CA 2.97Å; D703-E730 HydrophobicContact CB-CB 4.01Å; D703-E730 PolarHBondContact N-O 2.99Å; D703-E730 PolarHBondContact O-N 3.08Å; D703-K795 IonicContact OD1-NZ 3.47Å; D703-K795 PolarHBondContact OD1-NZ 2.77Å
704	F	98.8	Very high	97.7	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.039	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	143.2	-170.1	-61.9	-98	0	0	0	111.1	V693 A701 I708 M710 V716 V729 K795	V693-F704 HydrophobicContact CG2-CE1 4.45Å; A701-F704 HydrophobicContact CB-CE1 4.35Å; A701-F704 HydrophobicContact CB-CE2 4.32Å; A701-F704 HydrophobicContact CB-CZ 3.72Å; F704-I708 HydrophobicContact CB-CD1 3.72Å; F704-M710 HydrophobicContact CB-SD 3.69Å; F704-M710 HydrophobicContact CD2-CE 3.51Å; F704-M710 HydrophobicContact CD2-SD 3.57Å; F704-M710 VanDerWaalsContact CD2-SD 3.57Å; F704-M710 HydrophobicContact CE2-CE 3.67Å; F704-M710 HydrophobicContact CE2-SD 4.36Å; F704-M710 HydrophobicContact CG-CE 4.06Å; F704-M710 HydrophobicContact CG-SD 3.74Å; F704-M710 HydrophobicContact CZ-CE 4.33Å; F704-V716 HydrophobicContact CB-CG2 4.48Å; F704-V716 HydrophobicContact CD1-CG2 3.36Å; F704-V716 HydrophobicContact CE1-CG2 3.54Å; F704-V716 HydrophobicContact CG-CG2 3.89Å; F704-V716 HydrophobicContact CZ-CG2 4.21Å; F704-V729 HydrophobicContact CD1-CB 4.31Å; F704-V729 HydrophobicContact CD1-CG1 3.9Å; F704-V729 HydrophobicContact CD1-CG2 3.75Å; F704-V729 HydrophobicContact CE1-CB 4.38Å; F704-V729 HydrophobicContact CE1-CG1 3.6Å; F704-V729 HydrophobicContact CE1-CG2 3.94Å; F704-V729 HydrophobicContact CZ-CG1 4.15Å; F704-K795 PolarHBondContact O-NZ 3.47Å
705	F	98.8	Very high	97.7	Very high	5 Å²	5	41.3 Å²	41.3	2%	0.022	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	107.1	-172.6	-48.7	-98.7	0	0	0	110.5	D703 V727 T728 E730 F788 K791 K795 M874	D703-F705 HydrophobicContact CB-CE2 3.98Å; D703-F705 HydrophobicContact CB-CZ 4.11Å; F705-V727 WeakPolarHBondContact O-CA 3.32Å; F705-T728 WeakPolarHBondContact CD2-O 3.46Å; F705-T728 PolarHBondContact N-O 3.13Å; F705-T728 PolarHBondContact O-N 2.93Å; F705-E730 HydrophobicContact CE2-CB 4.04Å; F705-F788 HydrophobicContact CE2-CE2 4.14Å; F705-F788 HydrophobicContact CZ-CE2 4.33Å; F705-K791 HydrophobicContact CB-CB 3.84Å; F705-K791 HydrophobicContact CB-CD 3.97Å; F705-K791 HydrophobicContact CD1-CB 4.28Å; F705-K791 HydrophobicContact CG-CB 4.24Å; F705-K795 HydrophobicContact CD1-CB 4.01Å; F705-K795 HydrophobicContact CD1-CD 3.51Å; F705-K795 HydrophobicContact CD1-CG 4.41Å; F705-K795 HydrophobicContact CE1-CB 4.11Å; F705-K795 HydrophobicContact CE1-CD 3.41Å; F705-K795 VanDerWaalsContact CE1-CD 3.41Å; F705-K795 HydrophobicContact CE1-CG 4.39Å; F705-K795 HydrophobicContact CZ-CD 4.41Å; F705-M874 HydrophobicContact CB-CE 3.85Å; F705-M874 HydrophobicContact CD1-CE 4.49Å
706	G	98.2	Very high	97.6	Very high	4 Å²	4	40 Å²	40	4%	0.041	22%	0.219	C	C	.	.	S	Bend	trans	-165.1	-169.1	-178.8	0	0	0	0	0	113.2	I708 M874	G706-I708 PolarHBondContact O-N 3.48Å; G706-M874 WeakPolarHBondContact CA-O 3.49Å
707	G	97	Very high	97.6	Very high	9 Å²	9	41.1 Å²	41.1	9%	0.093	22%	0.224	C	C	.	.	S	Bend	trans	-87.1	84.4	155.2	0	0	0	0	0	108.6	Q652 G655	Q652-G707 CarbonylContact O-C 3.47Å; Q652-G707 WeakPolarHBondContact O-CA 3.42Å; G655-G707 WeakPolarHBondContact CA-O 3.31Å
708	I	98.3	Very high	97.7	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.087	20%	0.2	C	C	.	.			trans	-148	157.6	-164.6	58.8	167.7	0	0	0	111	Q652 L653 F704 G706 M710 V716 M718 V727	Q652-I708 PolarHBondContact O-N 2.93Å; L653-I708 VanDerWaalsContact CD2-O 3.27Å; L653-I708 WeakPolarHBondContact CD2-O 3.19Å; L653-I708 CarbonylContact O-C 3.55Å; F704-I708 HydrophobicContact CB-CD1 3.72Å; G706-I708 PolarHBondContact O-N 3.48Å; I708-M710 HydrophobicContact CD1-CG 4.46Å; I708-M710 HydrophobicContact CD1-SD 4.39Å; I708-V716 HydrophobicContact CB-CG1 3.72Å; I708-V716 HydrophobicContact CD1-CG1 3.84Å; I708-V716 HydrophobicContact CG1-CG1 4.37Å; I708-V716 HydrophobicContact CG2-CG1 3.49Å; I708-V716 VanDerWaalsContact CG2-CG1 3.49Å; I708-M718 HydrophobicContact CB-CG 4.46Å; I708-M718 HydrophobicContact CG2-CG 3.81Å; I708-M718 HydrophobicContact CG2-SD 3.92Å; I708-V727 HydrophobicContact CD1-CG1 4.23Å; I708-V727 HydrophobicContact CG2-CG1 4.37Å; I708-V727 HydrophobicContact CG2-CG2 3.65Å
709	L	98.3	Very high	97.7	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.089	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-118.7	155.3	163.9	-171.8	66.3	0	0	0	109.8	K623 V626 L653 E717	K623-L709 HydrophobicContact CB-CD2 4.29Å; K623-L709 HydrophobicContact CG-CD1 4.42Å; K623-L709 HydrophobicContact CG-CD2 3.88Å; V626-L709 HydrophobicContact CB-CD2 3.73Å; V626-L709 HydrophobicContact CG1-CB 4.39Å; V626-L709 HydrophobicContact CG1-CD2 4Å; V626-L709 HydrophobicContact CG2-CB 4.06Å; V626-L709 HydrophobicContact CG2-CD2 3.83Å; L653-L709 HydrophobicContact CD1-CD1 4.46Å; L653-L709 PolarHBondContact O-N 3.21Å; L709-E717 PolarHBondContact N-O 2.87Å; L709-E717 PolarHBondContact O-N 3.41Å
710	M	97.7	Very high	97.7	Very high	55 Å²	55	37.2 Å²	37.2	27%	0.271	20%	0.2	S	C	.	.			trans	-145.3	110.8	176	-66.1	-170	79.5	0	0	110.1	F704 I708 N712 D715 V716	F704-M710 HydrophobicContact CB-SD 3.69Å; F704-M710 HydrophobicContact CD2-CE 3.51Å; F704-M710 HydrophobicContact CD2-SD 3.57Å; F704-M710 VanDerWaalsContact CD2-SD 3.57Å; F704-M710 HydrophobicContact CE2-CE 3.67Å; F704-M710 HydrophobicContact CE2-SD 4.36Å; F704-M710 HydrophobicContact CG-CE 4.06Å; F704-M710 HydrophobicContact CG-SD 3.74Å; F704-M710 HydrophobicContact CZ-CE 4.33Å; I708-M710 HydrophobicContact CD1-CG 4.46Å; I708-M710 HydrophobicContact CD1-SD 4.39Å; M710-N712 WeakPolarHBondContact CE-O 3.42Å; M710-D715 WeakPolarHBondContact CE-O 3.35Å; M710-V716 HydrophobicContact CE-CG2 3.79Å; M710-V716 HydrophobicContact CG-CG2 4.43Å; M710-V716 HydrophobicContact SD-CG2 4.05Å
711	N	94.1	Very high	97.7	Very high	102 Å²	102	31.1 Å²	31.1	55%	0.545	18%	0.177	S	C	.	.	S	Bend	trans	-86.4	-14.4	172.5	-66.4	-67.8	0	0	0	112.9	E717	N711-E717 VanDerWaalsContact CB-OE1 3.3Å; N711-E717 WeakPolarHBondContact CB-OE1 3.42Å; N711-E717 PolarHBondContact N-OE1 3.23Å; N711-E717 VanDerWaalsContact ND2-CD 3.25Å; N711-E717 PolarHBondContact ND2-OE1 3.01Å; N711-E717 PolarHBondContact ND2-OE2 2.84Å
712	N	95.7	Very high	97.7	Very high	68 Å²	68	30.7 Å²	30.7	36%	0.364	17%	0.173	S	C	.	.	S	Bend	trans	-131.4	170.3	170.4	81.3	64.2	0	0	0	110.7	M710 T714 D715	M710-N712 WeakPolarHBondContact CE-O 3.42Å; N712-T714 PolarHBondContact O-N 3.3Å; N712-T714 VanDerWaalsContact O-N 3.15Å; N712-T714 WeakPolarHBondContact OD1-CA 3.49Å; N712-T714 PolarHBondContact OD1-N 2.89Å; N712-T714 PolarHBondContact OD1-OG1 2.92Å; N712-D715 PolarHBondContact ND2-OD2 2.81Å; N712-D715 PolarHBondContact OD1-N 2.93Å; N712-D715 PolarHBondContact OD1-OD2 2.83Å
713	T	94.6	Very high	97.7	Very high	117 Å²	117	29 Å²	29	72%	0.718	16%	0.163	S	C	*	.	S	Bend	trans	-76.4	5.3	-173.5	50	0	0	0	0	115.4
714	T	95.9	Very high	97.6	Very high	42 Å²	42	27.6 Å²	27.6	26%	0.258	16%	0.155	S	C	.	.	S	Bend	trans	-142.2	-27.6	-164.4	65.5	0	0	0	0	116.7	R692 N712	R692-T714 WeakPolarHBondContact CD-O 3.16Å; R692-T714 PolarHBondContact NH1-OG1 2.95Å; R692-T714 VanDerWaalsContact NH2-CB 3.26Å; R692-T714 PolarHBondContact NH2-OG1 2.87Å; N712-T714 PolarHBondContact O-N 3.3Å; N712-T714 VanDerWaalsContact O-N 3.15Å; N712-T714 WeakPolarHBondContact OD1-CA 3.49Å; N712-T714 PolarHBondContact OD1-N 2.89Å; N712-T714 PolarHBondContact OD1-OG1 2.92Å
715	D	97.8	Very high	97.6	Very high	40 Å²	40	27.9 Å²	27.9	21%	0.214	16%	0.156	C	C	.	.			trans	-101.3	131.4	174.9	-58.6	-63.8	0	0	0	109.9	I690 R692 M710 N712	I690-D715 HydrophobicContact CG2-CB 3.91Å; R692-D715 WeakPolarHBondContact CD-OD1 3.16Å; R692-D715 IonicContact CZ-OD1 3.57Å; R692-D715 IonicContact NE-OD1 3.89Å; R692-D715 IonicContact NH1-OD1 2.69Å; R692-D715 PolarHBondContact NH1-OD1 3.07Å; R692-D715 IonicContact NH1-OD2 2.92Å; R692-D715 PolarHBondContact NH1-OD2 3.01Å; M710-D715 WeakPolarHBondContact CE-O 3.35Å; N712-D715 PolarHBondContact ND2-OD2 2.81Å; N712-D715 PolarHBondContact OD1-N 2.93Å; N712-D715 PolarHBondContact OD1-OD2 2.83Å
716	V	98.6	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107.5	-175.7	-179.9	0	0	0	0	108.5	I690 M691 F704 I708 M710 M718	I690-V716 WeakPolarHBondContact CA-O 3.32Å; M691-V716 HydrophobicContact CB-CB 4.18Å; M691-V716 HydrophobicContact CE-CB 4.02Å; M691-V716 HydrophobicContact CE-CG1 4.06Å; M691-V716 HydrophobicContact CE-CG2 3.93Å; M691-V716 PolarHBondContact N-O 3.05Å; M691-V716 WeakPolarHBondContact O-CB 3.4Å; M691-V716 PolarHBondContact O-N 2.87Å; F704-V716 HydrophobicContact CB-CG2 4.48Å; F704-V716 HydrophobicContact CD1-CG2 3.36Å; F704-V716 HydrophobicContact CE1-CG2 3.54Å; F704-V716 HydrophobicContact CG-CG2 3.89Å; F704-V716 HydrophobicContact CZ-CG2 4.21Å; I708-V716 HydrophobicContact CB-CG1 3.72Å; I708-V716 HydrophobicContact CD1-CG1 3.84Å; I708-V716 HydrophobicContact CG1-CG1 4.37Å; I708-V716 HydrophobicContact CG2-CG1 3.49Å; I708-V716 VanDerWaalsContact CG2-CG1 3.49Å; M710-V716 HydrophobicContact CE-CG2 3.79Å; M710-V716 HydrophobicContact CG-CG2 4.43Å; M710-V716 HydrophobicContact SD-CG2 4.05Å; V716-M718 HydrophobicContact CG1-CG 4.42Å; V716-M718 HydrophobicContact CG1-SD 4.4Å
717	E	98.6	Very high	97.7	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.154	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	132.6	-173.8	-59.5	166.1	-117.3	0	0	110.3	V626 L709 N711	V626-E717 HydrophobicContact CG1-CB 3.62Å; L709-E717 PolarHBondContact N-O 2.87Å; L709-E717 PolarHBondContact O-N 3.41Å; N711-E717 VanDerWaalsContact CB-OE1 3.3Å; N711-E717 WeakPolarHBondContact CB-OE1 3.42Å; N711-E717 PolarHBondContact N-OE1 3.23Å; N711-E717 VanDerWaalsContact ND2-CD 3.25Å; N711-E717 PolarHBondContact ND2-OE1 3.01Å; N711-E717 PolarHBondContact ND2-OE2 2.84Å
718	M	98.4	Very high	97.8	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	107.6	-174.8	-66.3	172.7	-64.8	0	0	108.4	A689 M691 I708 V716 A720 I721 V727 V749	A689-M718 WeakPolarHBondContact CA-O 3.45Å; A689-M718 HydrophobicContact CB-CB 4.26Å; A689-M718 HydrophobicContact CB-CE 4.44Å; A689-M718 WeakPolarHBondContact CB-O 3.41Å; A689-M718 PolarHBondContact N-O 3.1Å; A689-M718 PolarHBondContact O-N 3.47Å; M691-M718 HydrophobicContact CB-CE 3.6Å; I708-M718 HydrophobicContact CB-CG 4.46Å; I708-M718 HydrophobicContact CG2-CG 3.81Å; I708-M718 HydrophobicContact CG2-SD 3.92Å; V716-M718 HydrophobicContact CG1-CG 4.42Å; V716-M718 HydrophobicContact CG1-SD 4.4Å; M718-A720 PolarHBondContact O-N 3.31Å; M718-I721 HydrophobicContact CE-CD1 3.98Å; M718-I721 HydrophobicContact SD-CB 4.45Å; M718-I721 HydrophobicContact SD-CD1 3.88Å; M718-V727 HydrophobicContact SD-CG2 4.08Å; M718-V749 HydrophobicContact CE-CG1 4.4Å
719	A	98.6	Very high	97.8	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-33.8	-177.6	0	0	0	0	0	112.5	V626 C630 T654 D688	V626-A719 HydrophobicContact CG2-CB 4.25Å; C630-A719 VanDerWaalsContact C-CB 3.43Å; C630-A719 WeakPolarHBondContact O-CB 3.4Å; T654-A719 WeakPolarHBondContact O-CB 3.43Å; D688-A719 PolarHBondContact N-O 3.42Å
720	A	98.8	Very high	97.8	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	160.9	158.9	0	0	0	0	0	111.1	S631 T654 I685 G686 F687 M718	S631-A720 VanDerWaalsContact CB-CB 3.42Å; T654-A720 PolarHBondContact O-N 3.37Å; I685-A720 HydrophobicContact CG2-CB 3.79Å; G686-A720 CarbonylContact O-C 3.45Å; G686-A720 WeakPolarHBondContact O-CA 3.48Å; F687-A720 HydrophobicContact CD1-CB 3.94Å; F687-A720 HydrophobicContact CE1-CB 3.87Å; M718-A720 PolarHBondContact O-N 3.31Å
721	I	98.8	Very high	97.9	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	134.2	171.5	-177.7	169.2	0	0	0	109.1	P339 F340 I685 G686 A689 M718 K725	P339-I721 HydrophobicContact CG-CD1 4.05Å; F340-I721 HydrophobicContact CD2-CB 4.46Å; F340-I721 HydrophobicContact CD2-CD1 3.8Å; F340-I721 HydrophobicContact CD2-CG1 3.88Å; F340-I721 HydrophobicContact CD2-CG2 3.78Å; F340-I721 HydrophobicContact CE2-CD1 4.14Å; F340-I721 HydrophobicContact CE2-CG1 4.4Å; F340-I721 HydrophobicContact CE2-CG2 3.54Å; F340-I721 HydrophobicContact CZ-CG2 4.35Å; I685-I721 CarbonylContact C-O 3.43Å; I685-I721 WeakPolarHBondContact CA-O 3.44Å; G686-I721 PolarHBondContact N-O 3.03Å; G686-I721 PolarHBondContact O-N 3.43Å; A689-I721 HydrophobicContact CB-CG2 3.87Å; M718-I721 HydrophobicContact CE-CD1 3.98Å; M718-I721 HydrophobicContact SD-CB 4.45Å; M718-I721 HydrophobicContact SD-CD1 3.88Å; I721-K725 HydrophobicContact CG1-CB 4.41Å
722	D	98.4	Very high	98.1	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.032	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	176.9	177.5	72.4	28.1	0	0	0	112.6	K683 K684 I685 D724 K725	K683-D722 HydrophobicContact CD-CB 3.9Å; K683-D722 WeakPolarHBondContact CD-OD2 3.39Å; K683-D722 WeakPolarHBondContact CE-OD2 3.26Å; K683-D722 HydrophobicContact CG-CB 4.48Å; K683-D722 IonicContact NZ-OD2 2.69Å; K683-D722 PolarHBondContact NZ-OD2 2.79Å; K684-D722 WeakPolarHBondContact O-CA 3.35Å; I685-D722 HydrophobicContact CG1-CB 4.16Å; D722-D724 PolarHBondContact O-N 3Å; D722-D724 VanDerWaalsContact O-N 3.17Å; D722-D724 WeakPolarHBondContact OD1-CA 3.35Å; D722-D724 WeakPolarHBondContact OD1-CB 3.36Å; D722-D724 PolarHBondContact OD1-N 2.72Å; D722-K725 VanDerWaalsContact CG-CE 3.43Å; D722-K725 WeakPolarHBondContact OD1-CE 3.4Å; D722-K725 WeakPolarHBondContact OD1-CG 3.42Å; D722-K725 PolarHBondContact OD1-N 2.98Å; D722-K725 WeakPolarHBondContact OD2-CE 3.27Å; D722-K725 IonicContact OD2-NZ 2.65Å
723	C	97.4	Very high	98.2	Very high	13 Å²	13	21.8 Å²	21.8	9%	0.088	12%	0.116	C	C	.	.	S	Bend	trans	-63.1	-14.9	-179.7	55.5	0	0	0	0	115.3	K338 F340 K684	K338-C723 WeakPolarHBondContact CD-O 3.48Å; F340-C723 VanDerWaalsContact O-CA 3.22Å; F340-C723 WeakPolarHBondContact O-CA 3.43Å; F340-C723 WeakPolarHBondContact O-CB 3.47Å; K684-C723 PolarHBondContact O-N 3.38Å
724	D	97.8	Very high	98.1	Very high	30 Å²	30	20 Å²	20	16%	0.16	10%	0.103	C	C	.	.	S	Bend	trans	-99	-34.3	-173.5	-52.1	-36.1	0	0	0	112	K338 K683 D722 A726 P982	K338-D724 VanDerWaalsContact CE-O 3.23Å; K338-D724 WeakPolarHBondContact CE-O 3.4Å; K338-D724 PolarHBondContact NZ-O 2.83Å; K683-D724 WeakPolarHBondContact CE-OD2 3.42Å; K683-D724 IonicContact NZ-OD2 3.68Å; K683-D724 PolarHBondContact NZ-OD2 2.69Å; D722-D724 PolarHBondContact O-N 3Å; D722-D724 VanDerWaalsContact O-N 3.17Å; D722-D724 WeakPolarHBondContact OD1-CA 3.35Å; D722-D724 WeakPolarHBondContact OD1-CB 3.36Å; D722-D724 PolarHBondContact OD1-N 2.72Å; D724-A726 PolarHBondContact O-N 2.85Å; D724-P982 HydrophobicContact CB-CB 3.94Å; D724-P982 HydrophobicContact CB-CG 4.36Å; D724-P982 VanDerWaalsContact CG-CB 3.4Å; D724-P982 WeakPolarHBondContact OD2-CB 3.39Å
725	K	98.6	Very high	98.1	Very high	14 Å²	14	23.1 Å²	23.1	6%	0.061	12%	0.117	C	C	.	.			trans	-62.7	131.4	-177.2	-48.3	-53.1	163.2	170.5	0	111.8	K338 G655 G656 T657 I721 D722 T875	K338-K725 WeakPolarHBondContact CG-O 3.44Å; G655-K725 WeakPolarHBondContact O-CE 3.12Å; G656-K725 PolarHBondContact O-NZ 2.88Å; T657-K725 PolarHBondContact OG1-NZ 2.93Å; I721-K725 HydrophobicContact CG1-CB 4.41Å; D722-K725 VanDerWaalsContact CG-CE 3.43Å; D722-K725 WeakPolarHBondContact OD1-CE 3.4Å; D722-K725 WeakPolarHBondContact OD1-CG 3.42Å; D722-K725 PolarHBondContact OD1-N 2.98Å; D722-K725 WeakPolarHBondContact OD2-CE 3.27Å; D722-K725 IonicContact OD2-NZ 2.65Å; K725-T875 HydrophobicContact CD-CG2 4.36Å
726	A	98.8	Very high	98.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	14%	0.138	C	C	.	.			trans	-122.9	132.2	168	0	0	0	0	0	112.3	V336 I337 K338 D724 K791 T875	V336-A726 HydrophobicContact CG1-CB 4.13Å; I337-A726 CarbonylContact O-C 3.5Å; I337-A726 WeakPolarHBondContact O-CA 3.36Å; I337-A726 WeakPolarHBondContact O-CB 3.39Å; K338-A726 HydrophobicContact CB-CB 3.92Å; K338-A726 HydrophobicContact CG-CB 4.34Å; D724-A726 PolarHBondContact O-N 2.85Å; A726-K791 PolarHBondContact O-NZ 3.5Å; A726-T875 PolarHBondContact N-O 2.94Å
727	V	98.9	Very high	98	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.4	170.9	-173.4	0	0	0	0	108.3	I337 M691 F705 I708 M718 V729	I337-V727 PolarHBondContact N-O 3.43Å; I337-V727 PolarHBondContact O-N 3.46Å; M691-V727 HydrophobicContact CE-CB 3.8Å; M691-V727 HydrophobicContact CE-CG1 3.71Å; M691-V727 HydrophobicContact CE-CG2 4.09Å; F705-V727 WeakPolarHBondContact O-CA 3.32Å; I708-V727 HydrophobicContact CD1-CG1 4.23Å; I708-V727 HydrophobicContact CG2-CG1 4.37Å; I708-V727 HydrophobicContact CG2-CG2 3.65Å; M718-V727 HydrophobicContact SD-CG2 4.08Å; V727-V729 HydrophobicContact CG1-CG2 4.28Å
728	T	98.9	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.2	172.3	-52.1	0	0	0	0	108.7	A335 V336 F705 N787 F788 K791	A335-T728 CarbonylContact O-C 3.57Å; A335-T728 WeakPolarHBondContact O-CA 3.29Å; V336-T728 HydrophobicContact CG2-CG2 3.84Å; F705-T728 WeakPolarHBondContact CD2-O 3.46Å; F705-T728 PolarHBondContact N-O 3.13Å; F705-T728 PolarHBondContact O-N 2.93Å; T728-N787 PolarHBondContact OG1-OD1 2.89Å; T728-F788 HydrophobicContact CG2-CB 4.38Å; T728-F788 HydrophobicContact CG2-CD2 4.47Å; T728-K791 WeakPolarHBondContact OG1-CD 3.37Å; T728-K791 WeakPolarHBondContact OG1-CE 3.33Å; T728-K791 PolarHBondContact OG1-NZ 2.58Å
729	V	98.9	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.9	-171	-175.2	0	0	0	0	108.6	A334 A335 I337 M691 V693 A701 D703 F704 V727 F731	A334-V729 CarbonylContact C-O 3.55Å; A334-V729 WeakPolarHBondContact CA-O 3.35Å; A334-V729 VanDerWaalsContact CB-O 3.26Å; A334-V729 WeakPolarHBondContact CB-O 3.4Å; A335-V729 PolarHBondContact N-O 3.39Å; A335-V729 PolarHBondContact O-N 3Å; I337-V729 HydrophobicContact CD1-CG2 3.88Å; I337-V729 HydrophobicContact CG1-CG2 4.44Å; M691-V729 HydrophobicContact CE-CG2 4.4Å; V693-V729 HydrophobicContact CG2-CG2 4.26Å; A701-V729 HydrophobicContact CB-CG1 3.58Å; D703-V729 WeakPolarHBondContact O-CA 2.97Å; F704-V729 HydrophobicContact CD1-CB 4.31Å; F704-V729 HydrophobicContact CD1-CG1 3.9Å; F704-V729 HydrophobicContact CD1-CG2 3.75Å; F704-V729 HydrophobicContact CE1-CB 4.38Å; F704-V729 HydrophobicContact CE1-CG1 3.6Å; F704-V729 HydrophobicContact CE1-CG2 3.94Å; F704-V729 HydrophobicContact CZ-CG1 4.15Å; V727-V729 HydrophobicContact CG1-CG2 4.28Å; V729-F731 HydrophobicContact CB-CZ 4.49Å; V729-F731 HydrophobicContact CG1-CE1 4.19Å; V729-F731 HydrophobicContact CG1-CZ 4.16Å
730	E	98.9	Very high	97.6	Very high	21 Å²	21	40.2 Å²	40.2	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	141.7	176.7	-173.1	173.4	-164.1	0	0	111.2	A701 T702 D703 F705 K732 F788	A701-E730 WeakPolarHBondContact CA-O 3.37Å; T702-E730 PolarHBondContact N-O 3.31Å; D703-E730 HydrophobicContact CB-CB 4.01Å; D703-E730 PolarHBondContact N-O 2.99Å; D703-E730 PolarHBondContact O-N 3.08Å; F705-E730 HydrophobicContact CE2-CB 4.04Å; E730-K732 WeakPolarHBondContact OE1-CE 3.25Å; E730-K732 IonicContact OE1-NZ 3.38Å; E730-K732 PolarHBondContact OE1-NZ 2.96Å; E730-F788 HydrophobicContact CB-CE2 3.97Å; E730-F788 VanDerWaalsContact CD-CE2 3.5Å; E730-F788 HydrophobicContact CG-CE2 3.9Å; E730-F788 HydrophobicContact CG-CZ 4.37Å; E730-F788 WeakPolarHBondContact OE1-CZ 3.4Å
731	F	98.9	Very high	97.4	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.1	-178.6	-56.6	-77.1	0	0	0	112.1	F319 L333 A335 V693 T695 F699 R700 A701 V729 I745	F319-F731 HydrophobicContact CE2-CB 4.32Å; F319-F731 HydrophobicContact CE2-CD2 4.3Å; F319-F731 HydrophobicContact CE2-CG 4.43Å; F319-F731 AromaticContact CZ-CD2 3.98Å; F319-F731 HydrophobicContact CZ-CD2 3.98Å; L333-F731 HydrophobicContact CB-CB 4.26Å; L333-F731 PolarHBondContact O-N 3.01Å; A335-F731 HydrophobicContact CB-CE2 3.74Å; A335-F731 HydrophobicContact CB-CZ 4.16Å; V693-F731 HydrophobicContact CG1-CE1 4.1Å; V693-F731 HydrophobicContact CG1-CZ 4.38Å; T695-F731 HydrophobicContact CG2-CD1 3.96Å; T695-F731 HydrophobicContact CG2-CE1 3.77Å; F699-F731 HydrophobicContact CD2-CB 3.97Å; F699-F731 AromaticContact CD2-CD1 3.83Å; F699-F731 HydrophobicContact CD2-CD1 3.83Å; F699-F731 HydrophobicContact CD2-CG 4.02Å; F699-F731 HydrophobicContact CE2-CB 4.47Å; F699-F731 AromaticContact CE2-CD1 3.74Å; F699-F731 HydrophobicContact CE2-CD1 3.74Å; F699-F731 HydrophobicContact CE2-CE1 4.11Å; F699-F731 HydrophobicContact CE2-CG 4.04Å; R700-F731 VanDerWaalsContact O-CA 3.25Å; R700-F731 WeakPolarHBondContact O-CA 3.15Å; A701-F731 HydrophobicContact CB-CD1 4.09Å; A701-F731 HydrophobicContact CB-CE1 4.02Å; V729-F731 HydrophobicContact CB-CZ 4.49Å; V729-F731 HydrophobicContact CG1-CE1 4.19Å; V729-F731 HydrophobicContact CG1-CZ 4.16Å; F731-I745 HydrophobicContact CE2-CD1 3.96Å; F731-I745 HydrophobicContact CZ-CD1 3.76Å; F731-I745 HydrophobicContact CZ-CG1 4.3Å; F731-I745 HydrophobicContact CZ-CG2 4.49Å
732	K	98.6	Very high	97.3	Very high	95 Å²	95	43.5 Å²	43.5	41%	0.413	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.1	169.1	-53.9	-67.7	165.5	-171.5	0	110	F699 R700 T702 E730	F699-K732 VanDerWaalsContact CA-O 3.31Å; F699-K732 WeakPolarHBondContact CA-O 3.37Å; F699-K732 WeakPolarHBondContact CB-O 3.31Å; R700-K732 PolarHBondContact N-O 3.24Å; R700-K732 PolarHBondContact O-N 3.29Å; T702-K732 HydrophobicContact CG2-CB 3.83Å; T702-K732 HydrophobicContact CG2-CG 3.66Å; T702-K732 WeakPolarHBondContact OG1-CG 3.36Å; E730-K732 WeakPolarHBondContact OE1-CE 3.25Å; E730-K732 IonicContact OE1-NZ 3.38Å; E730-K732 PolarHBondContact OE1-NZ 2.96Å
733	H	98.6	Very high	97.3	Very high	27 Å²	27	43.2 Å²	43.2	13%	0.125	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.8	170.2	-64.9	78.7	0	0	0	111.3	P320 G698	P320-H733 PolarHBondContact O-CE1 3.33Å; P320-H733 PolarHBondContact O-NE2 2.98Å; G698-H733 CarbonylContact O-C 3.58Å; G698-H733 WeakPolarHBondContact O-CA 3.38Å
734	D	92.3	Very high	97.4	Very high	81 Å²	81	43.3 Å²	43.3	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	-99.9	-28.5	164.6	-82.2	-4.8	0	0	0	111.3	G698 R700	G698-D734 PolarHBondContact O-N 2.87Å; R700-D734 VanDerWaalsContact CD-OD2 3.23Å; R700-D734 WeakPolarHBondContact CD-OD2 3.32Å; R700-D734 WeakPolarHBondContact CG-OD1 3.48Å; R700-D734 WeakPolarHBondContact CG-OD2 3.43Å; R700-D734 IonicContact CZ-OD1 3.83Å; R700-D734 IonicContact CZ-OD2 3.23Å; R700-D734 IonicContact NE-OD1 2.7Å; R700-D734 PolarHBondContact NE-OD1 3.07Å; R700-D734 IonicContact NE-OD2 3.95Å; R700-D734 IonicContact NH1-OD1 2.62Å; R700-D734 PolarHBondContact NH1-OD1 2.71Å; R700-D734 IonicContact NH1-OD2 2.69Å; R700-D734 PolarHBondContact NH1-OD2 3.24Å; R700-D734 IonicContact NH2-OD1 2.69Å; R700-D734 PolarHBondContact NH2-OD1 3.4Å
735	D	96.2	Very high	97.5	Very high	106 Å²	106	41.9 Å²	41.9	57%	0.567	21%	0.214	S	C	*	.	S	Bend	trans	-154.9	-164.5	176.4	-162.5	-8.4	0	0	0	108.4	G698	G698-D735 PolarHBondContact O-N 3.13Å; G698-D735 VanDerWaalsContact O-N 3.08Å
736	K	96.9	Very high	97.5	Very high	149 Å²	149	41.2 Å²	41.2	65%	0.648	21%	0.211	S	C	*	.	P	Polyproline II helix	trans	-75.5	151.8	169.5	-60.2	-178.1	-176.7	177.4	0	111.4	C321 T322 G698	C321-K736 WeakPolarHBondContact O-CA 3.45Å; T322-K736 HydrophobicContact CG2-CG 4.36Å; G698-K736 WeakPolarHBondContact CA-O 3.44Å
737	L	97.4	Very high	97.5	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.089	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-101.4	160	168.4	-62.4	165.3	0	0	0	109.4	F319 C321 T697 F699 A743 C769	F319-L737 HydrophobicContact CB-CD1 4.07Å; F319-L737 HydrophobicContact CD2-CD1 4.4Å; C321-L737 HydrophobicContact CB-CB 4.29Å; C321-L737 PolarHBondContact O-N 3.35Å; T697-L737 WeakPolarHBondContact O-CD2 3.22Å; F699-L737 HydrophobicContact CB-CD2 4.43Å; F699-L737 HydrophobicContact CD1-CD2 3.73Å; F699-L737 HydrophobicContact CE1-CD2 4.45Å; F699-L737 HydrophobicContact CG-CD2 4.41Å; L737-A743 HydrophobicContact CD1-CB 4.35Å; L737-A743 HydrophobicContact CD2-CB 4.4Å; L737-C769 HydrophobicContact CB-CB 4.44Å; L737-C769 WeakPolarHBondContact CB-SG 3.48Å
738	S	96.5	Very high	97.5	Very high	44 Å²	44	41.2 Å²	41.2	31%	0.308	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-103.4	140	171.1	175	0	0	0	0	111.2	D740 T741 G742 C769	S738-D740 VanDerWaalsContact C-N 3.29Å; S738-D740 PolarHBondContact OG-N 3.25Å; S738-D740 VanDerWaalsContact OG-N 3.15Å; S738-T741 PolarHBondContact O-OG1 3.39Å; S738-G742 WeakPolarHBondContact O-CA 3.49Å; S738-G742 PolarHBondContact O-N 2.72Å; S738-C769 WeakPolarHBondContact O-CB 3.37Å
739	E	96	Very high	97.5	Very high	88 Å²	88	41.2 Å²	41.2	41%	0.411	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-37.8	171.1	-60.1	-175.4	164.1	0	0	111.1	R288 T741 S771	R288-E739 PolarHBondContact NH2-O 2.94Å; E739-T741 PolarHBondContact O-N 3.46Å; E739-S771 WeakPolarHBondContact OE1-CB 3.38Å; E739-S771 PolarHBondContact OE1-N 3.26Å; E739-S771 PolarHBondContact OE1-OG 2.88Å
740	D	95.1	Very high	97.5	Very high	141 Å²	141	42.5 Å²	42.5	75%	0.754	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-43.2	-179.8	-59.7	-48.2	0	0	0	112.1	R288 S738	R288-D740 PolarHBondContact NH1-O 2.85Å; R288-D740 PolarHBondContact NH2-O 2.89Å; S738-D740 VanDerWaalsContact C-N 3.29Å; S738-D740 PolarHBondContact OG-N 3.25Å; S738-D740 VanDerWaalsContact OG-N 3.15Å
741	T	93.9	Very high	97.5	Very high	75 Å²	75	42 Å²	42	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-29.5	-179.2	61	0	0	0	0	112.8	R288 S738 E739	R288-T741 PolarHBondContact NH1-O 3.48Å; S738-T741 PolarHBondContact O-OG1 3.39Å; E739-T741 PolarHBondContact O-N 3.46Å
742	G	97.1	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	68.1	-156.6	-166.4	0	0	0	0	0	111.9	S738 L767	S738-G742 WeakPolarHBondContact O-CA 3.49Å; S738-G742 PolarHBondContact O-N 2.72Å; G742-L767 VanDerWaalsContact CA-O 3.31Å; G742-L767 WeakPolarHBondContact CA-O 3.4Å
743	A	98.6	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.9	178.4	0	0	0	0	0	110.2	F319 F699 L737 L767	F319-A743 HydrophobicContact CB-CB 4.4Å; F319-A743 HydrophobicContact CD2-CB 4.25Å; F319-A743 HydrophobicContact CG-CB 4.37Å; F699-A743 HydrophobicContact CD1-CB 4.36Å; F699-A743 HydrophobicContact CE1-CB 3.72Å; F699-A743 HydrophobicContact CZ-CB 3.93Å; L737-A743 HydrophobicContact CD1-CB 4.35Å; L737-A743 HydrophobicContact CD2-CB 4.4Å; A743-L767 HydrophobicContact CB-CB 4.43Å; A743-L767 PolarHBondContact N-O 2.77Å; A743-L767 WeakPolarHBondContact O-CB 3.34Å; A743-L767 PolarHBondContact O-N 3.26Å
744	L	98.9	Very high	97.5	Very high	16 Å²	16	37 Å²	37	8%	0.084	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.3	-178.1	-51.7	178.5	0	0	0	111.4	F373 F387 T695 S696 F699	F373-L744 HydrophobicContact CB-CD1 3.82Å; F373-L744 HydrophobicContact CD1-CD2 4.43Å; F373-L744 HydrophobicContact CD2-CB 4.25Å; F373-L744 HydrophobicContact CD2-CD1 4Å; F373-L744 HydrophobicContact CD2-CD2 3.94Å; F373-L744 HydrophobicContact CD2-CG 4.29Å; F373-L744 HydrophobicContact CE2-CD2 4.1Å; F373-L744 HydrophobicContact CG-CD1 4.04Å; F373-L744 HydrophobicContact CG-CD2 4.13Å; F373-L744 HydrophobicContact CZ-CD2 4.45Å; F387-L744 HydrophobicContact CD1-CB 3.88Å; F387-L744 HydrophobicContact CD1-CD1 4.45Å; F387-L744 HydrophobicContact CE1-CB 3.63Å; F387-L744 HydrophobicContact CE1-CD1 4.46Å; F387-L744 HydrophobicContact CZ-CB 4.44Å; T695-L744 CarbonylContact C-O 3.58Å; T695-L744 VanDerWaalsContact CA-O 3.24Å; T695-L744 WeakPolarHBondContact CA-O 3.34Å; S696-L744 PolarHBondContact N-O 2.97Å; S696-L744 PolarHBondContact OG-N 2.93Å; F699-L744 VanDerWaalsContact CZ-O 3.31Å; F699-L744 WeakPolarHBondContact CZ-O 3.5Å
745	I	98.9	Very high	97.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.1	174	-58.6	172.2	0	0	0	108.6	I312 V693 R694 F699 F731 N764 L765 L767	I312-I745 HydrophobicContact CD1-CG2 4.25Å; V693-I745 HydrophobicContact CG1-CG2 3.94Å; R694-I745 WeakPolarHBondContact O-CA 3.33Å; F699-I745 HydrophobicContact CE2-CG1 4.16Å; F699-I745 HydrophobicContact CZ-CG1 3.86Å; F731-I745 HydrophobicContact CE2-CD1 3.96Å; F731-I745 HydrophobicContact CZ-CD1 3.76Å; F731-I745 HydrophobicContact CZ-CG1 4.3Å; F731-I745 HydrophobicContact CZ-CG2 4.49Å; I745-N764 CarbonylContact O-C 3.54Å; I745-N764 WeakPolarHBondContact O-CA 3.22Å; I745-L765 PolarHBondContact N-O 2.76Å; I745-L765 PolarHBondContact O-N 3.06Å; I745-L767 HydrophobicContact CD1-CD1 3.94Å
746	Q	98.9	Very high	97.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	108	166.6	178.3	177.6	91.2	0	0	109	A368 Y369 F387 R694 I762 H763 N764	A368-Q746 VanDerWaalsContact CA-OE1 3.3Å; Y369-Q746 PolarHBondContact O-NE2 2.92Å; F387-Q746 HydrophobicContact CE1-CB 3.81Å; F387-Q746 HydrophobicContact CE2-CB 4.5Å; F387-Q746 HydrophobicContact CZ-CB 3.61Å; R694-Q746 HydrophobicContact CB-CB 4.44Å; R694-Q746 PolarHBondContact N-O 3.19Å; R694-Q746 PolarHBondContact O-N 3.29Å; Q746-I762 HydrophobicContact CG-CG2 3.99Å; Q746-H763 CarbonylContact C-O 3.59Å; Q746-H763 WeakPolarHBondContact CA-O 3.41Å; Q746-N764 WeakPolarHBondContact CG-OD1 3.37Å; Q746-N764 PolarHBondContact NE2-OD1 3.1Å
747	C	98.9	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.6	164.1	-176.3	0	0	0	0	108.8	I337 I762 H763	I337-C747 HydrophobicContact CD1-CB 4.29Å; I337-C747 HydrophobicContact CG2-CB 4.47Å; C747-I762 WeakPolarHBondContact O-CA 3.45Å; C747-H763 HydrophobicContact CB-CB 4.31Å; C747-H763 PolarHBondContact N-O 3.25Å; C747-H763 PolarHBondContact O-N 2.97Å
748	A	98.9	Very high	97.8	Very high	3 Å²	3	26 Å²	26	3%	0.025	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.7	170.4	0	0	0	0	0	109.6	Y369 M691 R692 R761 I762	Y369-A748 HydrophobicContact CD2-CB 3.89Å; Y369-A748 HydrophobicContact CE2-CB 3.48Å; Y369-A748 VanDerWaalsContact CE2-CB 3.48Å; M691-A748 CarbonylContact C-O 3.47Å; M691-A748 WeakPolarHBondContact CA-O 3.12Å; R692-A748 PolarHBondContact N-O 3.23Å; R692-A748 PolarHBondContact O-N 3.37Å; A748-R761 CarbonylContact C-O 3.57Å; A748-R761 WeakPolarHBondContact CA-O 3.35Å; A748-I762 HydrophobicContact CB-CD1 3.6Å
749	V	98.9	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.1	175.6	-166.7	0	0	0	0	109	P339 F340 A689 M691 M718 L760 R761	P339-V749 HydrophobicContact CB-CG2 3.84Å; P339-V749 HydrophobicContact CG-CG2 3.94Å; F340-V749 HydrophobicContact CE2-CG1 4.21Å; A689-V749 HydrophobicContact CB-CG1 4.25Å; M691-V749 HydrophobicContact CB-CG1 4.42Å; M691-V749 HydrophobicContact CB-CG2 4.03Å; M691-V749 HydrophobicContact CG-CG2 3.98Å; M691-V749 HydrophobicContact SD-CG2 4.49Å; M718-V749 HydrophobicContact CE-CG1 4.4Å; V749-L760 CarbonylContact O-C 3.6Å; V749-L760 WeakPolarHBondContact O-CA 3.41Å; V749-R761 PolarHBondContact N-O 3.44Å; V749-R761 PolarHBondContact O-N 2.91Å
750	L	98.9	Very high	98.1	Very high	27 Å²	27	21 Å²	21	14%	0.141	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	129.8	168.2	175.1	64.4	0	0	0	108.2	A426 Y430 A689 I690 R758 L760	A426-L750 HydrophobicContact CB-CD1 4.1Å; Y430-L750 HydrophobicContact CD1-CD1 4.12Å; Y430-L750 HydrophobicContact CD1-CD2 4.26Å; Y430-L750 HydrophobicContact CG-CD1 4.35Å; A689-L750 CarbonylContact C-O 3.6Å; A689-L750 WeakPolarHBondContact CA-O 3.36Å; I690-L750 PolarHBondContact N-O 2.82Å; I690-L750 PolarHBondContact O-N 2.92Å; L750-R758 HydrophobicContact CD1-CG 3.83Å; L750-L760 HydrophobicContact CB-CD2 3.77Å; L750-L760 HydrophobicContact CB-CG 4.48Å; L750-L760 HydrophobicContact CD1-CD2 4.02Å; L750-L760 HydrophobicContact CD1-CG 3.83Å; L750-L760 HydrophobicContact CG-CD2 4.49Å
751	Y	98.8	Very high	98.3	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.039	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	169.1	-178.2	74.7	-75.2	0	0	0	112.7	F340 E423 T753 R758 R759 R761	F340-Y751 HydrophobicContact CE1-CD2 4.47Å; F340-Y751 HydrophobicContact CE1-CE1 4.04Å; F340-Y751 HydrophobicContact CE1-CE2 4.01Å; F340-Y751 AromaticContact CE1-CZ 3.78Å; F340-Y751 AromaticContact CZ-CD1 3.8Å; F340-Y751 HydrophobicContact CZ-CD1 3.8Å; F340-Y751 HydrophobicContact CZ-CD2 4.17Å; F340-Y751 AromaticContact CZ-CE1 3.75Å; F340-Y751 HydrophobicContact CZ-CE1 3.75Å; F340-Y751 HydrophobicContact CZ-CE2 4.12Å; F340-Y751 HydrophobicContact CZ-CG 4.02Å; F340-Y751 AromaticContact CZ-CZ 3.92Å; E423-Y751 PolarHBondContact OE1-OH 2.79Å; E423-Y751 PolarHBondContact OE2-OH 2.84Å; Y751-T753 HydrophobicContact CE2-CG2 3.86Å; Y751-R758 WeakPolarHBondContact O-CA 3.42Å; Y751-R758 WeakPolarHBondContact O-CD 3.34Å; Y751-R759 HydrophobicContact CD1-CB 4.32Å; Y751-R759 WeakPolarHBondContact CD1-O 3.19Å; Y751-R759 HydrophobicContact CE1-CB 3.65Å; Y751-R759 PolarHBondContact N-O 2.77Å; Y751-R759 PolarHBondContact O-N 2.94Å; Y751-R761 HydrophobicContact CE1-CB 4.28Å
752	T	98.8	Very high	98.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.006	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.4	172.4	-61	0	0	0	0	109.8	P437 F687 Q757 R758	P437-T752 HydrophobicContact CB-CG2 4Å; P437-T752 HydrophobicContact CG-CG2 3.68Å; F687-T752 PolarHBondContact N-O 3.21Å; F687-T752 PolarHBondContact O-N 2.87Å; T752-Q757 CarbonylContact C-O 3.53Å; T752-Q757 WeakPolarHBondContact CA-O 3.43Å; T752-R758 VanDerWaalsContact N-NH1 3.18Å; T752-R758 WeakPolarHBondContact OG1-CD 3.18Å; T752-R758 PolarHBondContact OG1-NH1 2.98Å
753	T	98.6	Very high	98.6	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.031	6%	0.061	C	C	.	.			trans	-78.8	170.8	176.3	60.1	0	0	0	0	112.6	E475 Y751 S755 G756 Q757 R759	E475-T753 VanDerWaalsContact OE1-CB 3.3Å; E475-T753 WeakPolarHBondContact OE1-CB 3.49Å; E475-T753 PolarHBondContact OE1-OG1 2.89Å; Y751-T753 HydrophobicContact CE2-CG2 3.86Å; T753-S755 PolarHBondContact O-N 3.1Å; T753-S755 PolarHBondContact OG1-N 2.76Å; T753-S755 PolarHBondContact OG1-OG 3.39Å; T753-G756 PolarHBondContact O-N 2.95Å; T753-G756 VanDerWaalsContact O-N 3.1Å; T753-G756 PolarHBondContact OG1-N 3.45Å; T753-Q757 HydrophobicContact CG2-CB 4.32Å; T753-Q757 PolarHBondContact N-O 3.15Å; T753-Q757 WeakPolarHBondContact OG1-CB 3.4Å; T753-Q757 PolarHBondContact OG1-N 3.05Å; T753-Q757 PolarHBondContact OG1-O 3.1Å; T753-R759 HydrophobicContact CG2-CG 4.03Å
754	I	98.3	Very high	98.6	Very high	15 Å²	15	12.3 Å²	12.3	8%	0.077	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.7	169.6	58.7	-179.8	0	0	0	113.4	P440 P473 E475 I483 F687	P440-I754 WeakPolarHBondContact CD-O 3.37Å; P473-I754 HydrophobicContact CB-CD1 3.71Å; E475-I754 HydrophobicContact CG-CD1 4.03Å; E475-I754 HydrophobicContact CG-CG1 3.89Å; I483-I754 HydrophobicContact CD1-CB 4.1Å; I483-I754 HydrophobicContact CD1-CG2 3.96Å; I483-I754 HydrophobicContact CG1-CB 4.25Å; F687-I754 HydrophobicContact CE2-CG2 4.42Å
755	S	97.5	Very high	98.6	Very high	19 Å²	19	12.2 Å²	12.2	13%	0.133	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.1	173.4	56.3	0	0	0	0	114.6	E475 E478 T753 Q757	E475-S755 WeakPolarHBondContact OE1-CB 3.39Å; E475-S755 PolarHBondContact OE1-OG 2.94Å; E478-S755 WeakPolarHBondContact OE1-CB 3.34Å; T753-S755 PolarHBondContact O-N 3.1Å; T753-S755 PolarHBondContact OG1-N 2.76Å; T753-S755 PolarHBondContact OG1-OG 3.39Å; S755-Q757 WeakPolarHBondContact OG-CG 3.1Å; S755-Q757 PolarHBondContact OG-NE2 2.62Å
756	G	97.3	Very high	98.6	Very high	11 Å²	11	12.3 Å²	12.3	11%	0.113	6%	0.062	C	C	.	.	S	Bend	trans	76.8	17.3	-176	0	0	0	0	0	114.7	P437 T753	P437-G756 WeakPolarHBondContact CD-O 3.34Å; P437-G756 WeakPolarHBondContact CG-O 3.5Å; P437-G756 VanDerWaalsContact O-O 3.05Å; T753-G756 PolarHBondContact O-N 2.95Å; T753-G756 VanDerWaalsContact O-N 3.1Å; T753-G756 PolarHBondContact OG1-N 3.45Å
757	Q	97.8	Very high	98.6	Very high	75 Å²	75	12.3 Å²	12.3	35%	0.35	6%	0.062	S	C	.	.			trans	-88.7	139	174.7	-57.2	175.2	17.6	0	0	110.7	T752 T753 S755	T752-Q757 CarbonylContact C-O 3.53Å; T752-Q757 WeakPolarHBondContact CA-O 3.43Å; T753-Q757 HydrophobicContact CG2-CB 4.32Å; T753-Q757 PolarHBondContact N-O 3.15Å; T753-Q757 WeakPolarHBondContact OG1-CB 3.4Å; T753-Q757 PolarHBondContact OG1-N 3.05Å; T753-Q757 PolarHBondContact OG1-O 3.1Å; S755-Q757 WeakPolarHBondContact OG-CG 3.1Å; S755-Q757 PolarHBondContact OG-NE2 2.62Å
758	R	98.3	Very high	98.6	Very high	16 Å²	16	14.5 Å²	14.5	6%	0.06	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.4	171.1	-156.5	77.1	172.1	147.5	-1.1	109.5	A426 Y430 C431 D688 L750 Y751 T752	A426-R758 HydrophobicContact CB-CB 4.12Å; A426-R758 HydrophobicContact CB-CG 4Å; A426-R758 WeakPolarHBondContact CB-O 3.21Å; A426-R758 PolarHBondContact N-O 3.27Å; A426-R758 VanDerWaalsContact N-O 3.13Å; Y430-R758 PolarHBondContact O-NE 3.02Å; C431-R758 WeakPolarHBondContact SG-CB 3.43Å; D688-R758 PolarHBondContact O-NH1 2.86Å; D688-R758 PolarHBondContact O-NH2 3.06Å; D688-R758 IonicContact OD2-CZ 2.81Å; D688-R758 IonicContact OD2-NH1 2.61Å; D688-R758 PolarHBondContact OD2-NH1 3.32Å; D688-R758 IonicContact OD2-NH2 2.69Å; D688-R758 PolarHBondContact OD2-NH2 2.99Å; L750-R758 HydrophobicContact CD1-CG 3.83Å; Y751-R758 WeakPolarHBondContact O-CA 3.42Å; Y751-R758 WeakPolarHBondContact O-CD 3.34Å; T752-R758 VanDerWaalsContact N-NH1 3.18Å; T752-R758 WeakPolarHBondContact OG1-CD 3.18Å; T752-R758 PolarHBondContact OG1-NH1 2.98Å
759	R	98.4	Very high	98.5	Very high	27 Å²	27	14.9 Å²	14.9	10%	0.102	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.6	-179	-66.3	-168.9	-169.3	155.2	12.1	111.8	E423 Y424 E475 Y751 T753	E423-R759 IonicContact OE2-NH1 2.69Å; Y424-R759 WeakPolarHBondContact O-CA 3.43Å; E475-R759 IonicContact OE1-NH2 2.6Å; E475-R759 IonicContact OE2-CZ 3.47Å; E475-R759 IonicContact OE2-NH1 3.29Å; E475-R759 PolarHBondContact OE2-NH1 2.97Å; E475-R759 IonicContact OE2-NH2 3.24Å; E475-R759 PolarHBondContact OE2-NH2 2.85Å; Y751-R759 HydrophobicContact CD1-CB 4.32Å; Y751-R759 WeakPolarHBondContact CD1-O 3.19Å; Y751-R759 HydrophobicContact CE1-CB 3.65Å; Y751-R759 PolarHBondContact N-O 2.77Å; Y751-R759 PolarHBondContact O-N 2.94Å; T753-R759 HydrophobicContact CG2-CG 4.03Å
760	L	98.8	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	100.9	-178.1	-93.4	165.3	0	0	0	109.9	P360 Y369 E423 Y424 A426 Y430 V749 L750 I762	P360-L760 HydrophobicContact CG-CD1 3.92Å; Y369-L760 HydrophobicContact CE1-CD1 3.84Å; Y369-L760 HydrophobicContact CE1-CD2 4.46Å; Y369-L760 HydrophobicContact CE2-CD2 4.44Å; Y369-L760 WeakPolarHBondContact OH-CD2 3.43Å; E423-L760 CarbonylContact C-O 3.59Å; E423-L760 VanDerWaalsContact CA-O 3.29Å; E423-L760 WeakPolarHBondContact CA-O 3.3Å; Y424-L760 PolarHBondContact N-O 3.34Å; Y424-L760 PolarHBondContact O-N 3.4Å; A426-L760 HydrophobicContact CB-CD1 4.06Å; A426-L760 HydrophobicContact CB-CG 4.23Å; Y430-L760 HydrophobicContact CD1-CD1 3.88Å; Y430-L760 HydrophobicContact CE1-CD1 3.72Å; Y430-L760 HydrophobicContact CG-CD1 4.44Å; V749-L760 CarbonylContact O-C 3.6Å; V749-L760 WeakPolarHBondContact O-CA 3.41Å; L750-L760 HydrophobicContact CB-CD2 3.77Å; L750-L760 HydrophobicContact CB-CG 4.48Å; L750-L760 HydrophobicContact CD1-CD2 4.02Å; L750-L760 HydrophobicContact CD1-CG 3.83Å; L750-L760 HydrophobicContact CG-CD2 4.49Å; L760-I762 HydrophobicContact CB-CD1 4.49Å
761	R	98.9	Very high	98.4	Very high	32 Å²	32	17 Å²	17	12%	0.121	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	128.4	174.1	-176.3	171.5	-67.1	-151	-3.5	110.6	P339 F340 L350 E423 A748 V749 Y751 H763	P339-R761 WeakPolarHBondContact O-CD 3.24Å; P339-R761 PolarHBondContact O-NH1 2.77Å; F340-R761 VanDerWaalsContact CD1-CZ 3.48Å; L350-R761 HydrophobicContact CD1-CG 4.23Å; L350-R761 VanDerWaalsContact CD1-CZ 3.44Å; E423-R761 HydrophobicContact CG-CB 4.27Å; E423-R761 HydrophobicContact CG-CG 4.33Å; E423-R761 IonicContact OE1-CZ 3.4Å; E423-R761 IonicContact OE1-NE 3.65Å; E423-R761 PolarHBondContact OE1-NE 3.44Å; E423-R761 IonicContact OE1-NH2 2.89Å; E423-R761 PolarHBondContact OE1-NH2 3.09Å; A748-R761 CarbonylContact C-O 3.57Å; A748-R761 WeakPolarHBondContact CA-O 3.35Å; V749-R761 PolarHBondContact N-O 3.44Å; V749-R761 PolarHBondContact O-N 2.91Å; Y751-R761 HydrophobicContact CE1-CB 4.28Å; R761-H763 WeakPolarHBondContact CD-NE2 3.2Å
762	I	98.9	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.6	-177.7	-46.9	-60.6	0	0	0	109.9	Y369 S421 Y422 Y424 Q746 C747 A748 L760	Y369-I762 HydrophobicContact CD2-CD1 3.64Å; Y369-I762 HydrophobicContact CE2-CD1 4.02Å; Y369-I762 HydrophobicContact CG-CD1 3.99Å; S421-I762 WeakPolarHBondContact CA-O 3.2Å; Y422-I762 HydrophobicContact CD2-CB 4.24Å; Y422-I762 HydrophobicContact CD2-CG1 4.32Å; Y422-I762 HydrophobicContact CE2-CB 3.81Å; Y422-I762 HydrophobicContact CE2-CG1 3.87Å; Y422-I762 HydrophobicContact CE2-CG2 4.18Å; Y422-I762 PolarHBondContact N-O 2.94Å; Y422-I762 PolarHBondContact O-N 3.28Å; Y424-I762 HydrophobicContact CD2-CD1 4.26Å; Y424-I762 HydrophobicContact CD2-CG1 3.75Å; Y424-I762 HydrophobicContact CE2-CG1 4.01Å; Q746-I762 HydrophobicContact CG-CG2 3.99Å; C747-I762 WeakPolarHBondContact O-CA 3.45Å; A748-I762 HydrophobicContact CB-CD1 3.6Å; L760-I762 HydrophobicContact CB-CD1 4.49Å
763	H	98.9	Very high	98.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.9	167.9	-56.2	-73.6	0	0	0	110	A307 F311 P339 G420 S421 Q746 C747 R761	A307-H763 HydrophobicContact CB-CB 3.87Å; F311-H763 AromaticContact CD1-CE1 3.5Å; F311-H763 AromaticContact CD2-CE1 3.54Å; F311-H763 AromaticContact CD2-ND1 3.56Å; F311-H763 AromaticContact CE1-CE1 3.91Å; F311-H763 AromaticContact CE2-CE1 3.93Å; F311-H763 AromaticContact CG-CE1 3.31Å; F311-H763 WeakPolarHBondContact CG-CE1 3.31Å; F311-H763 AromaticContact CG-ND1 3.6Å; P339-H763 PolarHBondContact O-NE2 2.72Å; G420-H763 CarbonylContact O-C 3.54Å; G420-H763 WeakPolarHBondContact O-CA 3.44Å; S421-H763 PolarHBondContact OG-ND1 2.97Å; Q746-H763 CarbonylContact C-O 3.59Å; Q746-H763 WeakPolarHBondContact CA-O 3.41Å; C747-H763 HydrophobicContact CB-CB 4.31Å; C747-H763 PolarHBondContact N-O 3.25Å; C747-H763 PolarHBondContact O-N 2.97Å; R761-H763 WeakPolarHBondContact CD-NE2 3.2Å
764	N	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.5	-179.3	-53.1	-81.6	0	0	0	109.7	A307 C371 F373 G420 Y422 I745 Q746	A307-N764 WeakPolarHBondContact CB-O 3.19Å; A307-N764 PolarHBondContact N-O 3Å; C371-N764 WeakPolarHBondContact CB-OD1 3.31Å; F373-N764 HydrophobicContact CD2-CB 4.37Å; F373-N764 HydrophobicContact CE2-CB 3.75Å; F373-N764 HydrophobicContact CZ-CB 4.22Å; G420-N764 PolarHBondContact O-N 3.49Å; G420-N764 PolarHBondContact O-ND2 3.48Å; Y422-N764 VanDerWaalsContact CE1-ND2 3.32Å; Y422-N764 WeakPolarHBondContact CE1-ND2 3.28Å; Y422-N764 PolarHBondContact OH-ND2 2.9Å; I745-N764 CarbonylContact O-C 3.54Å; I745-N764 WeakPolarHBondContact O-CA 3.22Å; Q746-N764 WeakPolarHBondContact CG-OD1 3.37Å; Q746-N764 PolarHBondContact NE2-OD1 3.1Å
765	L	98.9	Very high	98.2	Very high	14 Å²	14	25.8 Å²	25.8	7%	0.073	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	123.2	179.1	178.3	60.6	0	0	0	110.6	N306 I312 I745 L767	N306-L765 HydrophobicContact CB-CD1 4.08Å; I312-L765 HydrophobicContact CD1-CB 4.47Å; I312-L765 HydrophobicContact CD1-CD2 3.84Å; I312-L765 HydrophobicContact CG1-CD2 3.87Å; I312-L765 HydrophobicContact CG2-CB 4.47Å; I312-L765 HydrophobicContact CG2-CD2 4.01Å; I745-L765 PolarHBondContact N-O 2.76Å; I745-L765 PolarHBondContact O-N 3.06Å; L765-L767 HydrophobicContact CD1-CD2 4.14Å; L765-L767 HydrophobicContact CD2-CD2 3.87Å; L765-L767 HydrophobicContact CG-CD2 3.75Å; L765-L767 HydrophobicContact CG-CG 4.38Å
766	G	98.7	Very high	98.3	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.9	174.1	0	0	0	0	0	111.2	R288 G289 N306	R288-G766 WeakPolarHBondContact CG-O 3.33Å; G289-G766 PolarHBondContact N-O 3.1Å; N306-G766 PolarHBondContact OD1-N 3.39Å
767	L	98.8	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	155.7	176.1	-54.6	-175.5	0	0	0	110.5	C314 Y317 F319 G742 A743 I745 L765	C314-L767 HydrophobicContact CB-CD1 4.45Å; Y317-L767 HydrophobicContact CD1-CD2 3.88Å; F319-L767 HydrophobicContact CD1-CD1 3.78Å; F319-L767 HydrophobicContact CE1-CD1 3.38Å; F319-L767 HydrophobicContact CZ-CD1 3.95Å; G742-L767 VanDerWaalsContact CA-O 3.31Å; G742-L767 WeakPolarHBondContact CA-O 3.4Å; A743-L767 HydrophobicContact CB-CB 4.43Å; A743-L767 PolarHBondContact N-O 2.77Å; A743-L767 WeakPolarHBondContact O-CB 3.34Å; A743-L767 PolarHBondContact O-N 3.26Å; I745-L767 HydrophobicContact CD1-CD1 3.94Å; L765-L767 HydrophobicContact CD1-CD2 4.14Å; L765-L767 HydrophobicContact CD2-CD2 3.87Å; L765-L767 HydrophobicContact CG-CD2 3.75Å; L765-L767 HydrophobicContact CG-CG 4.38Å
768	N	98.7	Very high	98.3	Very high	47 Å²	47	27 Å²	27	25%	0.251	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	166.7	171.4	-74.3	-36.6	0	0	0	110.9	R288 G289 Y317 C318 F319	R288-N768 PolarHBondContact NE-OD1 2.82Å; R288-N768 PolarHBondContact NH2-OD1 2.58Å; R288-N768 PolarHBondContact O-ND2 3.33Å; R288-N768 PolarHBondContact O-OD1 3.21Å; G289-N768 WeakPolarHBondContact CA-ND2 3.41Å; Y317-N768 PolarHBondContact O-N 2.9Å; C318-N768 CarbonylContact C-O 3.5Å; C318-N768 WeakPolarHBondContact CA-O 3.47Å; C318-N768 HydrophobicContact CB-CB 4.22Å; F319-N768 PolarHBondContact N-O 2.78Å
769	C	97.9	Very high	98.3	Very high	10 Å²	10	27 Å²	27	7%	0.068	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.4	167.3	-165.4	0	0	0	0	109	F319 C321 L737 S738	F319-C769 VanDerWaalsContact O-CA 3.27Å; F319-C769 WeakPolarHBondContact O-CA 3.48Å; F319-C769 PolarHBondContact O-SG 2.86Å; C321-C769 WeakPolarHBondContact CA-SG 3.33Å; C321-C769 WeakPolarHBondContact CB-SG 3.48Å; C321-C769 WeakPolarHBondContact SG-CB 3.23Å; C321-C769 CovalentContact SG-SG 2.04Å; C321-C769 PolarHBondContact SG-SG 3.03Å; L737-C769 HydrophobicContact CB-CB 4.44Å; L737-C769 WeakPolarHBondContact CB-SG 3.48Å; S738-C769 WeakPolarHBondContact O-CB 3.37Å
770	S	98.2	Very high	98.3	Very high	8 Å²	8	26 Å²	26	6%	0.056	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.5	172.8	-176.6	0	0	0	0	110.9	F319 P320 C321 M325 Q772 D775	F319-S770 PolarHBondContact O-N 3.47Å; P320-S770 WeakPolarHBondContact CA-O 3.49Å; C321-S770 PolarHBondContact N-O 2.97Å; C321-S770 PolarHBondContact SG-N 3.01Å; M325-S770 VanDerWaalsContact CE-O 3.32Å; M325-S770 WeakPolarHBondContact CE-O 3.08Å; S770-Q772 VanDerWaalsContact C-N 3.32Å; S770-Q772 WeakPolarHBondContact OG-CB 3.39Å; S770-Q772 PolarHBondContact OG-N 3.33Å; S770-D775 PolarHBondContact OG-OD2 3.26Å
771	S	97.5	Very high	98.3	Very high	63 Å²	63	26.4 Å²	26.4	44%	0.441	14%	0.141	S	C	.	.	S	Bend	trans	-80.8	-12.3	164.6	57.8	0	0	0	0	112.7	E739	E739-S771 WeakPolarHBondContact OE1-CB 3.38Å; E739-S771 PolarHBondContact OE1-N 3.26Å; E739-S771 PolarHBondContact OE1-OG 2.88Å
772	Q	97.7	Very high	98.3	Very high	114 Å²	114	25.2 Å²	25.2	53%	0.533	14%	0.138	S	C	.	.			trans	-94.4	121.1	-177.5	-53.5	-55.3	-52.8	0	0	111	M325 S770 A774 D775	M325-Q772 WeakPolarHBondContact CE-O 3.39Å; S770-Q772 VanDerWaalsContact C-N 3.32Å; S770-Q772 WeakPolarHBondContact OG-CB 3.39Å; S770-Q772 PolarHBondContact OG-N 3.33Å; Q772-A774 PolarHBondContact O-N 3.02Å; Q772-A774 VanDerWaalsContact O-N 3.16Å; Q772-D775 PolarHBondContact O-N 3.06Å; Q772-D775 VanDerWaalsContact O-N 3.14Å
773	L	97.8	Very high	98.3	Very high	19 Å²	19	25.6 Å²	25.6	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-57.1	-33.4	178.6	-74.1	171.5	0	0	0	112.1	M325 Q328 A329 D775 L776 Y777 N823	M325-L773 HydrophobicContact CE-CD2 3.97Å; M325-L773 HydrophobicContact CE-CG 4.28Å; M325-L773 HydrophobicContact CG-CD2 3.79Å; M325-L773 HydrophobicContact CG-CG 4.46Å; Q328-L773 HydrophobicContact CG-CD1 4.39Å; A329-L773 HydrophobicContact CB-CD2 3.99Å; L773-D775 PolarHBondContact O-N 2.98Å; L773-L776 HydrophobicContact CD2-CD2 4.36Å; L773-L776 WeakPolarHBondContact O-CB 3.48Å; L773-L776 PolarHBondContact O-N 2.83Å; L773-Y777 HydrophobicContact CB-CE2 4.39Å; L773-Y777 WeakPolarHBondContact O-CD2 3.19Å; L773-Y777 PolarHBondContact O-N 2.9Å; L773-Y777 VanDerWaalsContact O-N 3.1Å; L773-N823 HydrophobicContact CD1-CB 3.74Å
774	A	97.5	Very high	98.3	Very high	35 Å²	35	25.6 Å²	25.6	29%	0.289	14%	0.14	S	C	.	.	H	α-helix	trans	-56	-36.8	179.5	0	0	0	0	0	112.9	Q772 K778	Q772-A774 PolarHBondContact O-N 3.02Å; Q772-A774 VanDerWaalsContact O-N 3.16Å; A774-K778 WeakPolarHBondContact O-CE 3.4Å; A774-K778 WeakPolarHBondContact O-CG 3.46Å; A774-K778 PolarHBondContact O-N 3.31Å
775	D	97.9	Very high	98.3	Very high	48 Å²	48	25.6 Å²	25.6	26%	0.257	14%	0.14	S	C	.	.	H	α-helix	trans	-78.7	-36.1	-177.9	-55.2	-35.4	0	0	0	112	S770 Q772 L773 Y777 K778 S779	S770-D775 PolarHBondContact OG-OD2 3.26Å; Q772-D775 PolarHBondContact O-N 3.06Å; Q772-D775 VanDerWaalsContact O-N 3.14Å; L773-D775 PolarHBondContact O-N 2.98Å; D775-Y777 VanDerWaalsContact C-N 3.35Å; D775-Y777 PolarHBondContact O-N 3.36Å; D775-K778 PolarHBondContact O-N 2.76Å; D775-K778 IonicContact OD1-NZ 3.68Å; D775-K778 PolarHBondContact OD1-NZ 3.2Å; D775-S779 WeakPolarHBondContact O-CB 3.35Å; D775-S779 PolarHBondContact O-N 3.13Å; D775-S779 PolarHBondContact O-OG 2.9Å
776	L	97.8	Very high	98.3	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-55.6	-49.5	170.4	171.4	60	0	0	0	110.8	T316 C318 P320 M325 A329 I331 L773 S779 C780	T316-L776 HydrophobicContact CG2-CD1 3.7Å; C318-L776 WeakPolarHBondContact O-CD1 3.48Å; P320-L776 HydrophobicContact CB-CD2 4.18Å; P320-L776 HydrophobicContact CG-CD2 4.26Å; M325-L776 HydrophobicContact CE-CB 4.41Å; A329-L776 HydrophobicContact CB-CD2 3.55Å; I331-L776 HydrophobicContact CD1-CD1 4.15Å; I331-L776 HydrophobicContact CD1-CD2 3.87Å; I331-L776 HydrophobicContact CD1-CG 3.66Å; I331-L776 HydrophobicContact CG2-CD1 4.3Å; L773-L776 HydrophobicContact CD2-CD2 4.36Å; L773-L776 WeakPolarHBondContact O-CB 3.48Å; L773-L776 PolarHBondContact O-N 2.83Å; L776-S779 PolarHBondContact O-N 3.04Å; L776-C780 PolarHBondContact O-SG 3.08Å
777	Y	98.3	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-39.7	177.6	-73.6	-78.8	0	0	0	112.8	I331 L773 D775 S779 C780 M816 C819 Y820 P836 S838 M839	I331-Y777 HydrophobicContact CD1-CD1 3.77Å; I331-Y777 HydrophobicContact CD1-CE1 3.58Å; I331-Y777 HydrophobicContact CD1-CE2 4.46Å; I331-Y777 HydrophobicContact CD1-CG 4.31Å; I331-Y777 HydrophobicContact CG1-CE1 4.36Å; L773-Y777 HydrophobicContact CB-CE2 4.39Å; L773-Y777 WeakPolarHBondContact O-CD2 3.19Å; L773-Y777 PolarHBondContact O-N 2.9Å; L773-Y777 VanDerWaalsContact O-N 3.1Å; D775-Y777 VanDerWaalsContact C-N 3.35Å; D775-Y777 PolarHBondContact O-N 3.36Å; Y777-S779 VanDerWaalsContact C-N 3.25Å; Y777-S779 PolarHBondContact O-N 3.34Å; Y777-C780 PolarHBondContact O-N 2.76Å; Y777-M816 WeakPolarHBondContact CE1-O 3.49Å; Y777-M816 PolarHBondContact OH-O 3.39Å; Y777-C819 WeakPolarHBondContact OH-CB 3.04Å; Y777-Y820 AromaticContact CD1-CD2 3.95Å; Y777-Y820 HydrophobicContact CD1-CD2 3.95Å; Y777-Y820 HydrophobicContact CD1-CG 4.35Å; Y777-Y820 AromaticContact CD2-CD2 3.67Å; Y777-Y820 HydrophobicContact CD2-CD2 3.67Å; Y777-Y820 HydrophobicContact CE1-CD2 4.4Å; Y777-Y820 HydrophobicContact CE1-CG 4.47Å; Y777-Y820 HydrophobicContact CE2-CD2 4.18Å; Y777-Y820 AromaticContact CG-CD2 3.57Å; Y777-Y820 HydrophobicContact CG-CD2 3.57Å; Y777-Y820 HydrophobicContact CG-CE2 4.28Å; Y777-Y820 HydrophobicContact CG-CG 4.39Å; Y777-Y820 PolarHBondContact OH-N 2.95Å; Y777-P836 HydrophobicContact CD1-CG 3.94Å; Y777-S838 WeakPolarHBondContact O-CB 3.41Å; Y777-S838 PolarHBondContact O-OG 3.29Å; Y777-M839 HydrophobicContact CD1-CE 3.85Å; Y777-M839 HydrophobicContact CD1-SD 4.09Å; Y777-M839 HydrophobicContact CE1-CE 4.04Å; Y777-M839 HydrophobicContact CE1-SD 4.22Å
778	K	98.1	Very high	98.3	Very high	131 Å²	131	25.3 Å²	25.3	57%	0.57	14%	0.138	S	C	*	.	H	α-helix	trans	-58.4	-36.5	175.4	-73.2	165.9	-150.7	163.4	0	112.5	A774 D775	A774-K778 WeakPolarHBondContact O-CE 3.4Å; A774-K778 WeakPolarHBondContact O-CG 3.46Å; A774-K778 PolarHBondContact O-N 3.31Å; D775-K778 PolarHBondContact O-N 2.76Å; D775-K778 IonicContact OD1-NZ 3.68Å; D775-K778 PolarHBondContact OD1-NZ 3.2Å
779	S	98.4	Very high	98.4	Very high	14 Å²	14	23.2 Å²	23.2	10%	0.098	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	6	-173.3	-64.8	0	0	0	0	115.6	T316 Y317 C318 D775 L776 Y777	T316-S779 CarbonylContact C-O 3.59Å; T316-S779 VanDerWaalsContact CA-O 3.29Å; T316-S779 WeakPolarHBondContact CA-O 3.46Å; T316-S779 PolarHBondContact OG1-O 3.24Å; Y317-S779 WeakPolarHBondContact CD2-O 3.4Å; Y317-S779 PolarHBondContact N-O 3.39Å; C318-S779 WeakPolarHBondContact CB-OG 3.46Å; D775-S779 WeakPolarHBondContact O-CB 3.35Å; D775-S779 PolarHBondContact O-N 3.13Å; D775-S779 PolarHBondContact O-OG 2.9Å; L776-S779 PolarHBondContact O-N 3.04Å; Y777-S779 VanDerWaalsContact C-N 3.25Å; Y777-S779 PolarHBondContact O-N 3.34Å
780	C	98.8	Very high	98.4	Very high	7 Å²	7	22.8 Å²	22.8	5%	0.047	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-74.1	149.3	179.1	-77.3	0	0	0	0	114.7	T315 L776 Y777 L785 S838 M839	T315-C780 VanDerWaalsContact O-CA 3.28Å; T315-C780 WeakPolarHBondContact O-CA 3.35Å; L776-C780 PolarHBondContact O-SG 3.08Å; Y777-C780 PolarHBondContact O-N 2.76Å; C780-L785 HydrophobicContact CB-CD1 4.2Å; C780-S838 WeakPolarHBondContact O-CB 3.23Å; C780-M839 HydrophobicContact CB-CE 4.06Å
781	E	98.8	Very high	98.4	Very high	8 Å²	8	22.4 Å²	22.4	4%	0.037	12%	0.121	C	C	.	.			trans	-120.6	112.5	171.7	-177	179.2	154.9	0	0	110.3	R313 T315 Y317 D783 A784 L785	R313-E781 WeakPolarHBondContact CD-OE1 3.32Å; R313-E781 IonicContact CZ-OE1 3.79Å; R313-E781 IonicContact NE-OE1 3.32Å; R313-E781 VanDerWaalsContact NH1-CD 3.32Å; R313-E781 IonicContact NH1-OE1 3.5Å; R313-E781 PolarHBondContact NH1-OE1 3.21Å; R313-E781 IonicContact NH1-OE2 2.7Å; R313-E781 PolarHBondContact NH1-OE2 3.02Å; T315-E781 PolarHBondContact O-N 2.94Å; Y317-E781 HydrophobicContact CE2-CB 4.07Å; Y317-E781 VanDerWaalsContact CE2-OE2 3.29Å; Y317-E781 WeakPolarHBondContact CE2-OE2 3.48Å; Y317-E781 PolarHBondContact OH-OE2 3.13Å; E781-D783 PolarHBondContact O-N 2.87Å; E781-A784 HydrophobicContact CB-CB 4.15Å; E781-A784 HydrophobicContact CG-CB 4.12Å; E781-A784 PolarHBondContact O-N 2.85Å; E781-L785 WeakPolarHBondContact O-CG 3.47Å; E781-L785 PolarHBondContact O-N 3.31Å
782	T	98.8	Very high	98.5	Very high	8 Å²	8	21.3 Å²	21.3	5%	0.049	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-40.3	-176.9	-78.8	0	0	0	0	112.9	A784 L785 I786 S838 V841 L842 Y845	T782-A784 VanDerWaalsContact C-N 3.34Å; T782-A784 PolarHBondContact O-N 3.47Å; T782-L785 WeakPolarHBondContact O-CB 3.32Å; T782-L785 PolarHBondContact O-N 3.29Å; T782-I786 HydrophobicContact CG2-CG1 4.32Å; T782-I786 WeakPolarHBondContact O-CG1 3.16Å; T782-I786 PolarHBondContact O-N 3.38Å; T782-S838 PolarHBondContact OG1-O 3.35Å; T782-V841 HydrophobicContact CG2-CG2 4.13Å; T782-L842 HydrophobicContact CG2-CB 4.13Å; T782-L842 HydrophobicContact CG2-CD1 4.12Å; T782-Y845 HydrophobicContact CG2-CD2 3.67Å; T782-Y845 HydrophobicContact CG2-CE2 4.13Å
783	D	98.8	Very high	98.5	Very high	8 Å²	8	16 Å²	16	4%	0.043	9%	0.089	C	C	.	.	H	α-helix	trans	-64.1	-40.4	-178.9	-59.8	-43.5	0	0	0	111.7	V295 E781 I786 N787 Y845 V878 Q882	V295-D783 HydrophobicContact CG2-CB 4.18Å; E781-D783 PolarHBondContact O-N 2.87Å; D783-I786 PolarHBondContact O-N 3.28Å; D783-N787 PolarHBondContact O-N 2.92Å; D783-Y845 WeakPolarHBondContact OD1-CE2 2.8Å; D783-V878 HydrophobicContact CB-CG1 3.36Å; D783-Q882 WeakPolarHBondContact OD1-CG 3.49Å
784	A	98.9	Very high	98.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.8	-39	176.1	0	0	0	0	0	112.2	C314 E781 T782 N787 F788 V878	C314-A784 WeakPolarHBondContact O-CB 3.4Å; E781-A784 HydrophobicContact CB-CB 4.15Å; E781-A784 HydrophobicContact CG-CB 4.12Å; E781-A784 PolarHBondContact O-N 2.85Å; T782-A784 VanDerWaalsContact C-N 3.34Å; T782-A784 PolarHBondContact O-N 3.47Å; A784-N787 PolarHBondContact O-N 3.47Å; A784-F788 PolarHBondContact O-N 3.24Å; A784-V878 HydrophobicContact CB-CG2 4.4Å
785	L	98.9	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-46.3	172	-77.6	165.1	0	0	0	111.4	T315 I331 P332 C780 E781 T782 F788 F789 M839 L842	T315-L785 HydrophobicContact CG2-CD2 3.94Å; T315-L785 HydrophobicContact CG2-CG 4.26Å; I331-L785 HydrophobicContact CG2-CD2 4.33Å; P332-L785 HydrophobicContact CG-CD2 3.76Å; C780-L785 HydrophobicContact CB-CD1 4.2Å; E781-L785 WeakPolarHBondContact O-CG 3.47Å; E781-L785 PolarHBondContact O-N 3.31Å; T782-L785 WeakPolarHBondContact O-CB 3.32Å; T782-L785 PolarHBondContact O-N 3.29Å; L785-F788 PolarHBondContact O-N 2.97Å; L785-F789 HydrophobicContact CB-CD2 4.4Å; L785-F789 HydrophobicContact CB-CE2 4.3Å; L785-F789 HydrophobicContact CD2-CE2 4.22Å; L785-F789 WeakPolarHBondContact O-CD2 3.48Å; L785-F789 PolarHBondContact O-N 3.35Å; L785-M839 HydrophobicContact CD1-CE 4.09Å; L785-L842 HydrophobicContact CB-CD1 4.13Å; L785-L842 HydrophobicContact CD1-CD1 4.45Å
786	I	98.9	Very high	98.6	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-38	179.4	-68.8	-69.7	0	0	0	111.9	T782 D783 F788 F789 A790 L842 Y845 M846 F885	T782-I786 HydrophobicContact CG2-CG1 4.32Å; T782-I786 WeakPolarHBondContact O-CG1 3.16Å; T782-I786 PolarHBondContact O-N 3.38Å; D783-I786 PolarHBondContact O-N 3.28Å; I786-F788 VanDerWaalsContact C-N 3.35Å; I786-F788 PolarHBondContact O-N 2.94Å; I786-F789 PolarHBondContact O-N 3.14Å; I786-A790 VanDerWaalsContact O-CB 3.23Å; I786-A790 WeakPolarHBondContact O-CB 3.44Å; I786-A790 PolarHBondContact O-N 3.44Å; I786-L842 HydrophobicContact CD1-CD1 3.89Å; I786-L842 HydrophobicContact CG1-CD1 4.02Å; I786-Y845 HydrophobicContact CG1-CD2 4.2Å; I786-Y845 HydrophobicContact CG1-CG 4.46Å; I786-M846 HydrophobicContact CD1-CB 4.42Å; I786-M846 HydrophobicContact CD1-CE 4.27Å; I786-F885 HydrophobicContact CG2-CD2 4Å
787	N	98.9	Very high	98.6	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-45.2	172.4	-172.3	-77.9	0	0	0	111.6	V336 T728 D783 A784 K791 M876 G877 S881	V336-N787 HydrophobicContact CG2-CB 3.94Å; V336-N787 WeakPolarHBondContact CG2-OD1 3.35Å; T728-N787 PolarHBondContact OG1-OD1 2.89Å; D783-N787 PolarHBondContact O-N 2.92Å; A784-N787 PolarHBondContact O-N 3.47Å; N787-K791 WeakPolarHBondContact O-CG 3.3Å; N787-K791 PolarHBondContact O-N 2.53Å; N787-K791 VanDerWaalsContact O-N 3.15Å; N787-K791 WeakPolarHBondContact OD1-CE 3.47Å; N787-M876 PolarHBondContact ND2-O 3.43Å; N787-G877 PolarHBondContact ND2-O 3.31Å; N787-S881 PolarHBondContact ND2-OG 3.4Å
788	F	98.9	Very high	98.5	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-53.5	173.9	168.4	-94.1	0	0	0	112	T315 P332 A334 F705 T728 E730 A784 L785 I786 A790 K791 S792	T315-F788 HydrophobicContact CG2-CB 4.2Å; P332-F788 HydrophobicContact CB-CD1 3.56Å; P332-F788 HydrophobicContact CB-CE1 3.25Å; P332-F788 HydrophobicContact CB-CE2 4.47Å; P332-F788 HydrophobicContact CB-CG 4.3Å; P332-F788 HydrophobicContact CB-CZ 3.76Å; P332-F788 HydrophobicContact CG-CD1 3.44Å; P332-F788 VanDerWaalsContact CG-CD1 3.44Å; P332-F788 HydrophobicContact CG-CE1 3.56Å; P332-F788 HydrophobicContact CG-CG 4.33Å; A334-F788 HydrophobicContact CB-CB 4.3Å; A334-F788 HydrophobicContact CB-CD2 3.68Å; A334-F788 HydrophobicContact CB-CE2 4.37Å; A334-F788 HydrophobicContact CB-CG 4.12Å; F705-F788 HydrophobicContact CE2-CE2 4.14Å; F705-F788 HydrophobicContact CZ-CE2 4.33Å; T728-F788 HydrophobicContact CG2-CB 4.38Å; T728-F788 HydrophobicContact CG2-CD2 4.47Å; E730-F788 HydrophobicContact CB-CE2 3.97Å; E730-F788 VanDerWaalsContact CD-CE2 3.5Å; E730-F788 HydrophobicContact CG-CE2 3.9Å; E730-F788 HydrophobicContact CG-CZ 4.37Å; E730-F788 WeakPolarHBondContact OE1-CZ 3.4Å; A784-F788 PolarHBondContact O-N 3.24Å; L785-F788 PolarHBondContact O-N 2.97Å; I786-F788 VanDerWaalsContact C-N 3.35Å; I786-F788 PolarHBondContact O-N 2.94Å; F788-A790 VanDerWaalsContact C-N 3.3Å; F788-A790 PolarHBondContact O-N 3.1Å; F788-K791 PolarHBondContact O-N 2.67Å; F788-S792 VanDerWaalsContact O-CB 3.22Å; F788-S792 WeakPolarHBondContact O-CB 3.39Å; F788-S792 PolarHBondContact O-N 3.39Å
789	F	98.9	Very high	98.4	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.013	9%	0.087	C	C	.	.	H	α-helix	trans	-60.2	-40.2	-176.8	-77	-57.8	0	0	0	112.3	P332 L785 I786 A793 L809 Q812 M816 M846 L849	P332-F789 HydrophobicContact CG-CE1 4.09Å; P332-F789 HydrophobicContact CG-CE2 4.17Å; P332-F789 HydrophobicContact CG-CZ 3.71Å; L785-F789 HydrophobicContact CB-CD2 4.4Å; L785-F789 HydrophobicContact CB-CE2 4.3Å; L785-F789 HydrophobicContact CD2-CE2 4.22Å; L785-F789 WeakPolarHBondContact O-CD2 3.48Å; L785-F789 PolarHBondContact O-N 3.35Å; I786-F789 PolarHBondContact O-N 3.14Å; F789-A793 VanDerWaalsContact O-CB 3.24Å; F789-A793 WeakPolarHBondContact O-CB 3.49Å; F789-A793 PolarHBondContact O-N 2.84Å; F789-L809 HydrophobicContact CB-CD2 3.98Å; F789-L809 HydrophobicContact CD1-CD2 3.75Å; F789-L809 HydrophobicContact CG-CD2 4.16Å; F789-Q812 HydrophobicContact CE1-CG 4.43Å; F789-M816 HydrophobicContact CE2-CE 3.89Å; F789-M816 HydrophobicContact CZ-CE 3.64Å; F789-M816 HydrophobicContact CZ-SD 4.19Å; F789-M846 HydrophobicContact CB-CE 3.99Å; F789-M846 HydrophobicContact CD1-CE 4.32Å; F789-M846 HydrophobicContact CD2-CE 3.59Å; F789-M846 HydrophobicContact CE2-CE 4.12Å; F789-M846 HydrophobicContact CG-CE 3.73Å; F789-L849 HydrophobicContact CB-CD2 4.04Å
790	A	98.9	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.4	-53.3	176.4	0	0	0	0	0	112	I786 F788 S792 A793 F794 L849 V873 F885	I786-A790 VanDerWaalsContact O-CB 3.23Å; I786-A790 WeakPolarHBondContact O-CB 3.44Å; I786-A790 PolarHBondContact O-N 3.44Å; F788-A790 VanDerWaalsContact C-N 3.3Å; F788-A790 PolarHBondContact O-N 3.1Å; A790-S792 PolarHBondContact O-N 3.08Å; A790-A793 PolarHBondContact O-N 2.87Å; A790-F794 VanDerWaalsContact O-CB 3.26Å; A790-F794 WeakPolarHBondContact O-CB 3.34Å; A790-F794 VanDerWaalsContact O-CD1 3.22Å; A790-F794 WeakPolarHBondContact O-CD1 3.45Å; A790-F794 WeakPolarHBondContact O-CG 3.44Å; A790-F794 PolarHBondContact O-N 3.2Å; A790-L849 HydrophobicContact CB-CD1 3.87Å; A790-L849 HydrophobicContact CB-CD2 4.26Å; A790-V873 HydrophobicContact CB-CG1 3.95Å; A790-F885 HydrophobicContact CB-CE2 3.45Å; A790-F885 VanDerWaalsContact CB-CE2 3.45Å; A790-F885 HydrophobicContact CB-CZ 3.56Å
791	K	98.9	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.3	-36.4	-179.7	-66.3	-170.4	-170.2	179.3	0	112.7	F705 A726 T728 N787 F788 F794 K795 V873 M874 M876	F705-K791 HydrophobicContact CB-CB 3.84Å; F705-K791 HydrophobicContact CB-CD 3.97Å; F705-K791 HydrophobicContact CD1-CB 4.28Å; F705-K791 HydrophobicContact CG-CB 4.24Å; A726-K791 PolarHBondContact O-NZ 3.5Å; T728-K791 WeakPolarHBondContact OG1-CD 3.37Å; T728-K791 WeakPolarHBondContact OG1-CE 3.33Å; T728-K791 PolarHBondContact OG1-NZ 2.58Å; N787-K791 WeakPolarHBondContact O-CG 3.3Å; N787-K791 PolarHBondContact O-N 2.53Å; N787-K791 VanDerWaalsContact O-N 3.15Å; N787-K791 WeakPolarHBondContact OD1-CE 3.47Å; F788-K791 PolarHBondContact O-N 2.67Å; K791-F794 PolarHBondContact O-N 3.4Å; K791-K795 WeakPolarHBondContact O-CB 3.39Å; K791-K795 PolarHBondContact O-N 3.27Å; K791-V873 WeakPolarHBondContact CE-O 3.31Å; K791-V873 HydrophobicContact CG-CG1 4.49Å; K791-M874 HydrophobicContact CB-SD 3.96Å; K791-M874 WeakPolarHBondContact CD-O 3.28Å; K791-M874 WeakPolarHBondContact CE-O 3.46Å; K791-M874 HydrophobicContact CG-SD 4.23Å; K791-M874 PolarHBondContact NZ-O 3.18Å; K791-M874 VanDerWaalsContact NZ-O 3.15Å; K791-M876 WeakPolarHBondContact CE-O 3.41Å; K791-M876 PolarHBondContact NZ-O 2.89Å
792	S	98.8	Very high	97.7	Very high	40 Å²	40	20.6 Å²	20.6	28%	0.28	11%	0.109	S	C	.	.	H	α-helix	trans	-63.1	-50.6	175.7	-175.5	0	0	0	0	111.4	F788 A790 F794 K795 A796	F788-S792 VanDerWaalsContact O-CB 3.22Å; F788-S792 WeakPolarHBondContact O-CB 3.39Å; F788-S792 PolarHBondContact O-N 3.39Å; A790-S792 PolarHBondContact O-N 3.08Å; S792-F794 VanDerWaalsContact C-N 3.34Å; S792-F794 PolarHBondContact O-N 2.87Å; S792-K795 PolarHBondContact O-N 2.89Å; S792-A796 PolarHBondContact O-N 2.76Å
793	A	98.7	Very high	97.4	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.033	14%	0.136	C	C	.	.	H	α-helix	trans	-58	-44.8	173.4	0	0	0	0	0	112	F789 A790 K795 A796 V797 I805 L809 L855	F789-A793 VanDerWaalsContact O-CB 3.24Å; F789-A793 WeakPolarHBondContact O-CB 3.49Å; F789-A793 PolarHBondContact O-N 2.84Å; A790-A793 PolarHBondContact O-N 2.87Å; A793-K795 VanDerWaalsContact C-N 3.32Å; A793-K795 PolarHBondContact O-N 2.91Å; A793-A796 CarbonylContact O-C 3.37Å; A793-A796 WeakPolarHBondContact O-CA 3.47Å; A793-A796 WeakPolarHBondContact O-CB 3.47Å; A793-A796 PolarHBondContact O-N 3.24Å; A793-V797 WeakPolarHBondContact O-CG2 3.45Å; A793-V797 PolarHBondContact O-N 3.29Å; A793-I805 HydrophobicContact CB-CG2 3.65Å; A793-L809 HydrophobicContact CB-CD1 4.04Å; A793-L855 HydrophobicContact CB-CD1 4.3Å
794	F	98.6	Very high	97.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-72.2	-22.3	-176.1	-73.8	18.7	0	0	0	113.5	A790 K791 S792 L849 V854 L855 R870 V873 M874 F885	A790-F794 VanDerWaalsContact O-CB 3.26Å; A790-F794 WeakPolarHBondContact O-CB 3.34Å; A790-F794 VanDerWaalsContact O-CD1 3.22Å; A790-F794 WeakPolarHBondContact O-CD1 3.45Å; A790-F794 WeakPolarHBondContact O-CG 3.44Å; A790-F794 PolarHBondContact O-N 3.2Å; K791-F794 PolarHBondContact O-N 3.4Å; S792-F794 VanDerWaalsContact C-N 3.34Å; S792-F794 PolarHBondContact O-N 2.87Å; F794-L849 HydrophobicContact CE1-CD1 3.79Å; F794-L849 HydrophobicContact CZ-CD1 4.23Å; F794-V854 HydrophobicContact CD1-CB 4.32Å; F794-V854 HydrophobicContact CD1-CG1 3.69Å; F794-V854 HydrophobicContact CD2-CG1 4.26Å; F794-V854 HydrophobicContact CE1-CB 3.7Å; F794-V854 HydrophobicContact CE1-CG1 3.6Å; F794-V854 HydrophobicContact CE1-CG2 4.36Å; F794-V854 HydrophobicContact CE2-CB 4.12Å; F794-V854 HydrophobicContact CE2-CG1 4.14Å; F794-V854 HydrophobicContact CE2-CG2 3.87Å; F794-V854 HydrophobicContact CG-CG1 4.04Å; F794-V854 HydrophobicContact CZ-CB 3.59Å; F794-V854 HydrophobicContact CZ-CG1 3.84Å; F794-V854 HydrophobicContact CZ-CG2 3.76Å; F794-L855 HydrophobicContact CE1-CD1 4.43Å; F794-L855 HydrophobicContact CE1-CG 4.15Å; F794-R870 HydrophobicContact CB-CG 3.86Å; F794-R870 HydrophobicContact CD2-CB 4.29Å; F794-R870 HydrophobicContact CD2-CG 4.02Å; F794-R870 HydrophobicContact CG-CG 4.1Å; F794-R870 PolarHBondContact O-NE 2.81Å; F794-R870 VanDerWaalsContact O-NE 3.1Å; F794-V873 HydrophobicContact CD2-CB 3.75Å; F794-V873 HydrophobicContact CD2-CG1 3.79Å; F794-V873 HydrophobicContact CD2-CG2 4.43Å; F794-V873 HydrophobicContact CE2-CB 3.6Å; F794-V873 HydrophobicContact CE2-CG1 3.75Å; F794-V873 HydrophobicContact CE2-CG2 3.77Å; F794-M874 HydrophobicContact CB-SD 4.21Å; F794-F885 HydrophobicContact CZ-CE1 4.49Å; F794-F885 HydrophobicContact CZ-CZ 4.25Å
795	K	98.4	Very high	97.2	Very high	69 Å²	69	29.7 Å²	29.7	30%	0.3	15%	0.152	S	C	.	.	H	α-helix	trans	-76.9	-35.8	165.1	-170.7	179.9	-176.6	175.7	0	111.5	D703 F704 F705 K791 S792 A793 V797 L798 H799	D703-K795 IonicContact OD1-NZ 3.47Å; D703-K795 PolarHBondContact OD1-NZ 2.77Å; F704-K795 PolarHBondContact O-NZ 3.47Å; F705-K795 HydrophobicContact CD1-CB 4.01Å; F705-K795 HydrophobicContact CD1-CD 3.51Å; F705-K795 HydrophobicContact CD1-CG 4.41Å; F705-K795 HydrophobicContact CE1-CB 4.11Å; F705-K795 HydrophobicContact CE1-CD 3.41Å; F705-K795 VanDerWaalsContact CE1-CD 3.41Å; F705-K795 HydrophobicContact CE1-CG 4.39Å; F705-K795 HydrophobicContact CZ-CD 4.41Å; K791-K795 WeakPolarHBondContact O-CB 3.39Å; K791-K795 PolarHBondContact O-N 3.27Å; S792-K795 PolarHBondContact O-N 2.89Å; A793-K795 VanDerWaalsContact C-N 3.32Å; A793-K795 PolarHBondContact O-N 2.91Å; K795-V797 VanDerWaalsContact C-N 3.31Å; K795-V797 PolarHBondContact O-N 2.95Å; K795-L798 VanDerWaalsContact O-CD1 3.28Å; K795-L798 WeakPolarHBondContact O-CD1 3.15Å; K795-H799 PolarHBondContact O-CE1 2.72Å; K795-H799 PolarHBondContact O-ND1 2.86Å
796	A	98.1	Very high	97.1	Very high	20 Å²	20	34 Å²	34	17%	0.165	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-26.3	175.9	0	0	0	0	0	113.6	S792 A793 L798 H799 Q800 I805	S792-A796 PolarHBondContact O-N 2.76Å; A793-A796 CarbonylContact O-C 3.37Å; A793-A796 WeakPolarHBondContact O-CA 3.47Å; A793-A796 WeakPolarHBondContact O-CB 3.47Å; A793-A796 PolarHBondContact O-N 3.24Å; A796-L798 PolarHBondContact O-N 3.42Å; A796-L798 VanDerWaalsContact O-N 3.15Å; A796-H799 WeakPolarHBondContact O-CA 3.21Å; A796-H799 PolarHBondContact O-N 2.74Å; A796-Q800 PolarHBondContact O-N 2.84Å; A796-I805 VanDerWaalsContact C-CD1 3.49Å; A796-I805 HydrophobicContact CB-CD1 3.75Å; A796-I805 HydrophobicContact CB-CG1 3.9Å
797	V	97.4	Very high	96.9	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.7	178.2	171.2	0	0	0	0	113.7	K608 F611 A793 K795 H799 L802 I805 V854 L855	K608-V797 VanDerWaalsContact CB-O 3.24Å; K608-V797 WeakPolarHBondContact CB-O 3.49Å; F611-V797 HydrophobicContact CB-CG1 4.03Å; F611-V797 HydrophobicContact CD1-CG1 3.92Å; F611-V797 HydrophobicContact CD2-CG1 3.39Å; F611-V797 HydrophobicContact CE1-CG1 4.14Å; F611-V797 HydrophobicContact CE2-CG1 3.65Å; F611-V797 HydrophobicContact CG-CG1 3.52Å; F611-V797 HydrophobicContact CZ-CG1 4.01Å; A793-V797 WeakPolarHBondContact O-CG2 3.45Å; A793-V797 PolarHBondContact O-N 3.29Å; K795-V797 VanDerWaalsContact C-N 3.31Å; K795-V797 PolarHBondContact O-N 2.95Å; V797-H799 PolarHBondContact O-N 2.71Å; V797-L802 HydrophobicContact CB-CD2 4.29Å; V797-L802 HydrophobicContact CG1-CD2 4.06Å; V797-L802 HydrophobicContact CG2-CD2 3.69Å; V797-I805 HydrophobicContact CG2-CD1 4.13Å; V797-V854 HydrophobicContact CG2-CG1 4.1Å; V797-L855 HydrophobicContact CG2-CD2 4.1Å
798	L	96.3	Very high	96.9	Very high	31 Å²	31	41.8 Å²	41.8	16%	0.162	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3	179.6	-47.7	92.1	0	0	0	113.3	F611 Q612 K795 A796	F611-L798 WeakPolarHBondContact O-CD2 3.03Å; Q612-L798 HydrophobicContact CG-CB 4.29Å; Q612-L798 HydrophobicContact CG-CD2 4.37Å; Q612-L798 PolarHBondContact NE2-O 3.34Å; K795-L798 VanDerWaalsContact O-CD1 3.28Å; K795-L798 WeakPolarHBondContact O-CD1 3.15Å; A796-L798 PolarHBondContact O-N 3.42Å; A796-L798 VanDerWaalsContact O-N 3.15Å
799	H	95.1	Very high	96.8	Very high	118 Å²	118	41.9 Å²	41.9	55%	0.546	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-37.1	-166.9	-56.5	99.7	0	0	0	112.9	K795 A796 V797	K795-H799 PolarHBondContact O-CE1 2.72Å; K795-H799 PolarHBondContact O-ND1 2.86Å; A796-H799 WeakPolarHBondContact O-CA 3.21Å; A796-H799 PolarHBondContact O-N 2.74Å; V797-H799 PolarHBondContact O-N 2.71Å
800	Q	94.6	Very high	96.8	Very high	75 Å²	75	42.9 Å²	42.9	35%	0.35	21%	0.213	S	C	.	.	S	Bend	trans	-126	153.3	-170.2	-58.9	-179.7	16.2	0	0	112.2	A796 I805	A796-Q800 PolarHBondContact O-N 2.84Å; Q800-I805 HydrophobicContact CB-CD1 4.24Å; Q800-I805 HydrophobicContact CB-CG1 3.98Å
801	P	94	Very high	96.7	Very high	39 Å²	39	46.8 Å²	46.8	25%	0.253	23%	0.234	S	C	.	.			trans	-61	140	171.8	-18.6	29.2	0	0	0	112.1	D605 K803 V804 I805	D605-P801 HydrophobicContact CB-CG 4.26Å; D605-P801 WeakPolarHBondContact OD1-CG 3.29Å; P801-K803 PolarHBondContact O-N 2.86Å; P801-K803 VanDerWaalsContact O-N 3.09Å; P801-V804 HydrophobicContact CB-CG2 4.22Å; P801-V804 HydrophobicContact CG-CG2 4.14Å; P801-V804 PolarHBondContact O-N 2.86Å; P801-I805 PolarHBondContact O-N 3.23Å
802	L	93.4	Very high	96.7	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-31	-178.9	-61.3	-171	0	0	0	113.4	E607 V797 I805 R806 V854 L855 S857	E607-L802 HydrophobicContact CG-CD1 4.47Å; V797-L802 HydrophobicContact CB-CD2 4.29Å; V797-L802 HydrophobicContact CG1-CD2 4.06Å; V797-L802 HydrophobicContact CG2-CD2 3.69Å; L802-I805 HydrophobicContact CD2-CD1 4.13Å; L802-R806 WeakPolarHBondContact O-CD 3.44Å; L802-R806 VanDerWaalsContact O-CG 3.23Å; L802-R806 WeakPolarHBondContact O-CG 3.29Å; L802-R806 PolarHBondContact O-N 3.42Å; L802-R806 VanDerWaalsContact O-N 3.12Å; L802-V854 WeakPolarHBondContact CD1-O 3.44Å; L802-L855 HydrophobicContact CD2-CD2 4.2Å; L802-S857 WeakPolarHBondContact CD1-OG 3.45Å
803	K	92.9	Very high	96.7	Very high	144 Å²	144	46.8 Å²	46.8	63%	0.626	23%	0.23	S	C	*	.	H	α-helix	trans	-60.6	-46.4	173.6	-179.5	177	167.7	-179.1	0	112.4	P801 R806 E807	P801-K803 PolarHBondContact O-N 2.86Å; P801-K803 VanDerWaalsContact O-N 3.09Å; K803-R806 PolarHBondContact O-N 2.86Å; K803-E807 WeakPolarHBondContact CE-OE1 3.43Å; K803-E807 IonicContact NZ-OE1 2.87Å; K803-E807 WeakPolarHBondContact O-CG 3.45Å; K803-E807 PolarHBondContact O-N 2.99Å
804	V	95.6	Very high	96.6	Very high	57 Å²	57	46.6 Å²	46.6	35%	0.345	23%	0.228	S	C	.	.	H	α-helix	trans	-65.1	-43.2	-178.6	178.1	0	0	0	0	110.6	P801 R806 E807 I808	P801-V804 HydrophobicContact CB-CG2 4.22Å; P801-V804 HydrophobicContact CG-CG2 4.14Å; P801-V804 PolarHBondContact O-N 2.86Å; V804-R806 VanDerWaalsContact C-N 3.29Å; V804-R806 PolarHBondContact O-N 3.02Å; V804-E807 PolarHBondContact O-N 2.86Å; V804-I808 HydrophobicContact CG1-CD1 4Å; V804-I808 WeakPolarHBondContact O-CG1 3.45Å; V804-I808 PolarHBondContact O-N 3.46Å
805	I	97.1	Very high	96.6	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-42.1	176.8	-58.7	170.8	0	0	0	110.7	A793 A796 V797 Q800 P801 L802 I808 L809 L855	A793-I805 HydrophobicContact CB-CG2 3.65Å; A796-I805 VanDerWaalsContact C-CD1 3.49Å; A796-I805 HydrophobicContact CB-CD1 3.75Å; A796-I805 HydrophobicContact CB-CG1 3.9Å; V797-I805 HydrophobicContact CG2-CD1 4.13Å; Q800-I805 HydrophobicContact CB-CD1 4.24Å; Q800-I805 HydrophobicContact CB-CG1 3.98Å; P801-I805 PolarHBondContact O-N 3.23Å; L802-I805 HydrophobicContact CD2-CD1 4.13Å; I805-I808 PolarHBondContact O-N 3.07Å; I805-L809 HydrophobicContact CG2-CD1 4.49Å; I805-L809 WeakPolarHBondContact O-CG 3.48Å; I805-L809 PolarHBondContact O-N 3.26Å; I805-L809 VanDerWaalsContact O-N 3.08Å; I805-L855 HydrophobicContact CG2-CD2 4.23Å
806	R	95.6	Very high	96.6	Very high	90 Å²	90	45.8 Å²	45.8	34%	0.34	23%	0.226	S	C	.	.	H	α-helix	trans	-69.2	-39.9	178	-70.1	169.9	59.5	179.8	-4	112.6	L802 K803 V804 L809 V810 L850 L855	L802-R806 WeakPolarHBondContact O-CD 3.44Å; L802-R806 VanDerWaalsContact O-CG 3.23Å; L802-R806 WeakPolarHBondContact O-CG 3.29Å; L802-R806 PolarHBondContact O-N 3.42Å; L802-R806 VanDerWaalsContact O-N 3.12Å; K803-R806 PolarHBondContact O-N 2.86Å; V804-R806 VanDerWaalsContact C-N 3.29Å; V804-R806 PolarHBondContact O-N 3.02Å; R806-L809 PolarHBondContact O-N 3.31Å; R806-V810 WeakPolarHBondContact O-CG2 3.5Å; R806-V810 PolarHBondContact O-N 3.25Å; R806-L850 HydrophobicContact CB-CD2 3.96Å; R806-L850 HydrophobicContact CG-CD2 3.73Å; R806-L855 WeakPolarHBondContact CD-O 3.49Å; R806-L855 HydrophobicContact CG-CB 4.32Å; R806-L855 PolarHBondContact NH1-O 2.95Å
807	E	96.1	Very high	96.5	Very high	88 Å²	88	44.9 Å²	44.9	41%	0.411	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-42.7	174	-73.8	169.7	163.7	0	0	111.2	K803 V804 V810 N811	K803-E807 WeakPolarHBondContact CE-OE1 3.43Å; K803-E807 IonicContact NZ-OE1 2.87Å; K803-E807 WeakPolarHBondContact O-CG 3.45Å; K803-E807 PolarHBondContact O-N 2.99Å; V804-E807 PolarHBondContact O-N 2.86Å; E807-V810 PolarHBondContact O-N 3.13Å; E807-N811 WeakPolarHBondContact O-CB 3.41Å; E807-N811 PolarHBondContact O-N 3.14Å; E807-N811 PolarHBondContact O-ND2 3.17Å; E807-N811 PolarHBondContact O-OD1 2.86Å
808	I	98	Very high	96.5	Very high	81 Å²	81	45.1 Å²	45.1	42%	0.415	22%	0.22	S	C	.	.	H	α-helix	trans	-58.1	-50.7	173.5	-68.4	164.3	0	0	0	111.1	V804 I805 V810 N811 Q812	V804-I808 HydrophobicContact CG1-CD1 4Å; V804-I808 WeakPolarHBondContact O-CG1 3.45Å; V804-I808 PolarHBondContact O-N 3.46Å; I805-I808 PolarHBondContact O-N 3.07Å; I808-V810 PolarHBondContact O-N 2.91Å; I808-N811 PolarHBondContact O-N 3.4Å; I808-Q812 VanDerWaalsContact O-CB 3.28Å; I808-Q812 WeakPolarHBondContact O-CB 3.24Å; I808-Q812 PolarHBondContact O-N 2.86Å
809	L	98.4	Very high	96.6	Very high	8 Å²	8	44 Å²	44	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-44.5	-179.7	-74	173.3	0	0	0	112.8	F789 A793 I805 R806 T813 M846 L849 L850 L855	F789-L809 HydrophobicContact CB-CD2 3.98Å; F789-L809 HydrophobicContact CD1-CD2 3.75Å; F789-L809 HydrophobicContact CG-CD2 4.16Å; A793-L809 HydrophobicContact CB-CD1 4.04Å; I805-L809 HydrophobicContact CG2-CD1 4.49Å; I805-L809 WeakPolarHBondContact O-CG 3.48Å; I805-L809 PolarHBondContact O-N 3.26Å; I805-L809 VanDerWaalsContact O-N 3.08Å; R806-L809 PolarHBondContact O-N 3.31Å; L809-T813 WeakPolarHBondContact O-CB 3.35Å; L809-T813 PolarHBondContact O-N 3.27Å; L809-T813 VanDerWaalsContact O-N 3.09Å; L809-T813 PolarHBondContact O-OG1 2.88Å; L809-M846 HydrophobicContact CB-SD 3.99Å; L809-M846 HydrophobicContact CD1-SD 4.43Å; L809-M846 HydrophobicContact CD2-CE 4.21Å; L809-M846 HydrophobicContact CD2-SD 4.1Å; L809-M846 HydrophobicContact CG-SD 4.41Å; L809-L849 HydrophobicContact CD1-CD2 4.09Å; L809-L849 HydrophobicContact CD1-CG 4.46Å; L809-L849 HydrophobicContact CD2-CD2 4.43Å; L809-L850 HydrophobicContact CB-CD2 4.13Å; L809-L850 HydrophobicContact CD1-CD2 3.81Å; L809-L855 HydrophobicContact CD1-CD1 3.91Å
810	V	97.8	Very high	96.7	Very high	24 Å²	24	40.3 Å²	40.3	15%	0.145	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-47.9	178.9	174.3	0	0	0	0	110.9	R806 E807 I808 Q812 T813 A814 L850 F1019	R806-V810 WeakPolarHBondContact O-CG2 3.5Å; R806-V810 PolarHBondContact O-N 3.25Å; E807-V810 PolarHBondContact O-N 3.13Å; I808-V810 PolarHBondContact O-N 2.91Å; V810-Q812 PolarHBondContact O-N 2.86Å; V810-T813 WeakPolarHBondContact O-CB 3.44Å; V810-T813 PolarHBondContact O-N 2.85Å; V810-A814 PolarHBondContact O-N 3.15Å; V810-L850 HydrophobicContact CG2-CD1 3.69Å; V810-F1019 HydrophobicContact CG2-CE2 4.03Å; V810-F1019 HydrophobicContact CG2-CZ 4.48Å
811	N	97.7	Very high	96.7	Very high	82 Å²	82	38.3 Å²	38.3	44%	0.439	19%	0.185	S	C	.	.	H	α-helix	trans	-66.3	-41.1	-176.3	-65.5	-7.2	0	0	0	111.6	E807 I808 A814 H815	E807-N811 WeakPolarHBondContact O-CB 3.41Å; E807-N811 PolarHBondContact O-N 3.14Å; E807-N811 PolarHBondContact O-ND2 3.17Å; E807-N811 PolarHBondContact O-OD1 2.86Å; I808-N811 PolarHBondContact O-N 3.4Å; N811-A814 PolarHBondContact O-N 3.31Å; N811-H815 WeakPolarHBondContact O-CB 3.28Å; N811-H815 PolarHBondContact O-N 3.03Å
812	Q	98.1	Very high	96.7	Very high	40 Å²	40	43.6 Å²	43.6	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-37.6	175	-169.8	173.5	-0.8	0	0	111.7	Q330 F789 I808 V810 H815 M816	Q330-Q812 HydrophobicContact CB-CG 4.15Å; Q330-Q812 PolarHBondContact O-NE2 2.84Å; F789-Q812 HydrophobicContact CE1-CG 4.43Å; I808-Q812 VanDerWaalsContact O-CB 3.28Å; I808-Q812 WeakPolarHBondContact O-CB 3.24Å; I808-Q812 PolarHBondContact O-N 2.86Å; V810-Q812 PolarHBondContact O-N 2.86Å; Q812-H815 PolarHBondContact O-N 2.8Å; Q812-M816 WeakPolarHBondContact O-CG 3.22Å; Q812-M816 PolarHBondContact O-N 2.81Å
813	T	98.2	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-45.6	174.2	-59.3	0	0	0	0	111.7	L809 V810 L817 M846 V1023	L809-T813 WeakPolarHBondContact O-CB 3.35Å; L809-T813 PolarHBondContact O-N 3.27Å; L809-T813 VanDerWaalsContact O-N 3.09Å; L809-T813 PolarHBondContact O-OG1 2.88Å; V810-T813 WeakPolarHBondContact O-CB 3.44Å; V810-T813 PolarHBondContact O-N 2.85Å; T813-L817 HydrophobicContact CG2-CD1 4.4Å; T813-L817 WeakPolarHBondContact O-CG 3.26Å; T813-L817 PolarHBondContact O-N 2.85Å; T813-M846 HydrophobicContact CG2-CG 4.43Å; T813-V1023 HydrophobicContact CG2-CG2 4.47Å
814	A	97.4	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-41.3	174.3	0	0	0	0	0	111.8	V810 N811 L817 A818 E1026 I1027 L1030	V810-A814 PolarHBondContact O-N 3.15Å; N811-A814 PolarHBondContact O-N 3.31Å; A814-L817 PolarHBondContact O-N 3.28Å; A814-A818 VanDerWaalsContact O-CB 3.27Å; A814-A818 WeakPolarHBondContact O-CB 3.37Å; A814-A818 PolarHBondContact O-N 3.39Å; A814-E1026 HydrophobicContact CB-CB 3.48Å; A814-E1026 VanDerWaalsContact CB-CB 3.48Å; A814-E1026 HydrophobicContact CB-CG 4.43Å; A814-I1027 HydrophobicContact CB-CG1 4.3Å; A814-I1027 WeakPolarHBondContact O-CG1 3.34Å; A814-L1030 HydrophobicContact CB-CD1 4.39Å
815	H	98.1	Very high	96.6	Very high	53 Å²	53	40.2 Å²	40.2	25%	0.245	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-45.4	-179.5	-162.5	98.9	0	0	0	112.8	Q328 Q330 N811 Q812 L817 A818 C819 L1030	Q328-H815 PolarHBondContact O-NE2 3.42Å; Q330-H815 VanDerWaalsContact CG-CD2 3.46Å; Q330-H815 WeakPolarHBondContact CG-CD2 3.25Å; Q330-H815 PolarHBondContact NE2-CD2 3.03Å; Q330-H815 PolarHBondContact NE2-CE1 3.18Å; Q330-H815 PolarHBondContact NE2-NE2 2.99Å; N811-H815 WeakPolarHBondContact O-CB 3.28Å; N811-H815 PolarHBondContact O-N 3.03Å; Q812-H815 PolarHBondContact O-N 2.8Å; H815-L817 PolarHBondContact O-N 3.47Å; H815-A818 PolarHBondContact O-N 3.13Å; H815-C819 VanDerWaalsContact O-CB 3.29Å; H815-C819 WeakPolarHBondContact O-CB 3.44Å; H815-C819 PolarHBondContact O-N 2.78Å; H815-L1030 HydrophobicContact CB-CD1 4.32Å
816	M	98.2	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-55.4	-42	175.5	-74.3	-175.4	-66.5	0	0	111.6	A329 Q330 I331 Y777 F789 Q812 Y820 L842	A329-M816 WeakPolarHBondContact O-CA 3.47Å; A329-M816 WeakPolarHBondContact O-CG 3.31Å; Q330-M816 HydrophobicContact CB-CG 4.42Å; I331-M816 HydrophobicContact CG1-CG 4.11Å; I331-M816 HydrophobicContact CG1-SD 3.95Å; Y777-M816 WeakPolarHBondContact CE1-O 3.49Å; Y777-M816 PolarHBondContact OH-O 3.39Å; F789-M816 HydrophobicContact CE2-CE 3.89Å; F789-M816 HydrophobicContact CZ-CE 3.64Å; F789-M816 HydrophobicContact CZ-SD 4.19Å; Q812-M816 WeakPolarHBondContact O-CG 3.22Å; Q812-M816 PolarHBondContact O-N 2.81Å; M816-Y820 PolarHBondContact O-N 3.07Å; M816-L842 HydrophobicContact CE-CD2 4.02Å
817	L	97.3	Very high	96	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-80.4	-35.6	-177.7	-63.9	175.6	0	0	0	113	T813 A814 H815 Y820 R821 L835 M839 P843 V1023 I1027	T813-L817 HydrophobicContact CG2-CD1 4.4Å; T813-L817 WeakPolarHBondContact O-CG 3.26Å; T813-L817 PolarHBondContact O-N 2.85Å; A814-L817 PolarHBondContact O-N 3.28Å; H815-L817 PolarHBondContact O-N 3.47Å; L817-Y820 PolarHBondContact O-N 2.85Å; L817-R821 WeakPolarHBondContact O-CB 3.22Å; L817-R821 PolarHBondContact O-N 2.82Å; L817-L835 HydrophobicContact CD1-CD2 3.69Å; L817-L835 HydrophobicContact CD2-CD2 3.65Å; L817-L835 HydrophobicContact CG-CD2 4.22Å; L817-M839 HydrophobicContact CD2-SD 4.27Å; L817-P843 HydrophobicContact CD1-CG 4.27Å; L817-V1023 HydrophobicContact CD1-CG1 3.91Å; L817-I1027 HydrophobicContact CB-CD1 3.59Å; L817-I1027 HydrophobicContact CB-CG1 4.24Å; L817-I1027 HydrophobicContact CD1-CD1 4.24Å
818	A	96.8	Very high	95.7	Very high	5 Å²	5	44.4 Å²	44.4	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-41.1	171.9	0	0	0	0	0	111.4	A814 H815 R821 K822 I1027 L1030	A814-A818 VanDerWaalsContact O-CB 3.27Å; A814-A818 WeakPolarHBondContact O-CB 3.37Å; A814-A818 PolarHBondContact O-N 3.39Å; H815-A818 PolarHBondContact O-N 3.13Å; A818-R821 PolarHBondContact O-N 3.3Å; A818-K822 WeakPolarHBondContact O-CB 3.38Å; A818-K822 PolarHBondContact O-N 2.96Å; A818-I1027 HydrophobicContact CB-CB 4.41Å; A818-I1027 HydrophobicContact CB-CG1 4.2Å; A818-I1027 HydrophobicContact CB-CG2 4.15Å; A818-L1030 HydrophobicContact CB-CB 3.95Å; A818-L1030 HydrophobicContact CB-CD1 4.12Å
819	C	97.4	Very high	95.3	Very high	8 Å²	8	43 Å²	43	5%	0.054	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-44.6	175.3	-179.1	0	0	0	0	111.8	Q328 Y777 H815 R821 K822 N823	Q328-C819 WeakPolarHBondContact O-CB 3.42Å; Q328-C819 PolarHBondContact O-SG 2.88Å; Y777-C819 WeakPolarHBondContact OH-CB 3.04Å; H815-C819 VanDerWaalsContact O-CB 3.29Å; H815-C819 WeakPolarHBondContact O-CB 3.44Å; H815-C819 PolarHBondContact O-N 2.78Å; C819-R821 PolarHBondContact O-N 3.15Å; C819-K822 PolarHBondContact O-N 3.45Å; C819-N823 WeakPolarHBondContact O-CB 3.43Å; C819-N823 PolarHBondContact O-N 3.39Å; C819-N823 PolarHBondContact O-ND2 3.03Å; C819-N823 PolarHBondContact SG-ND2 3.33Å; C819-N823 VanDerWaalsContact SG-ND2 3.38Å
820	Y	97.3	Very high	94.6	Very high	41 Å²	41	46.4 Å²	46.4	16%	0.161	28%	0.276	C	S	.	.	H	α-helix	trans	-58.7	-46.9	172.2	-178.4	-106.3	0	0	0	111.9	Y777 M816 L817 K822 N823 C824 A825 I834 P836	Y777-Y820 AromaticContact CD1-CD2 3.95Å; Y777-Y820 HydrophobicContact CD1-CD2 3.95Å; Y777-Y820 HydrophobicContact CD1-CG 4.35Å; Y777-Y820 AromaticContact CD2-CD2 3.67Å; Y777-Y820 HydrophobicContact CD2-CD2 3.67Å; Y777-Y820 HydrophobicContact CE1-CD2 4.4Å; Y777-Y820 HydrophobicContact CE1-CG 4.47Å; Y777-Y820 HydrophobicContact CE2-CD2 4.18Å; Y777-Y820 AromaticContact CG-CD2 3.57Å; Y777-Y820 HydrophobicContact CG-CD2 3.57Å; Y777-Y820 HydrophobicContact CG-CE2 4.28Å; Y777-Y820 HydrophobicContact CG-CG 4.39Å; Y777-Y820 PolarHBondContact OH-N 2.95Å; M816-Y820 PolarHBondContact O-N 3.07Å; L817-Y820 PolarHBondContact O-N 2.85Å; Y820-K822 VanDerWaalsContact C-N 3.31Å; Y820-K822 PolarHBondContact O-N 2.93Å; Y820-N823 PolarHBondContact O-N 2.9Å; Y820-C824 HydrophobicContact CD2-CB 3.52Å; Y820-C824 HydrophobicContact CE2-CB 3.48Å; Y820-C824 VanDerWaalsContact CE2-CB 3.48Å; Y820-C824 HydrophobicContact CG-CB 4.38Å; Y820-C824 PolarHBondContact O-N 3.31Å; Y820-A825 HydrophobicContact CD1-CB 4.48Å; Y820-A825 HydrophobicContact CE1-CB 4.25Å; Y820-A825 PolarHBondContact O-N 3.39Å; Y820-I834 HydrophobicContact CE1-CG2 4.18Å; Y820-P836 HydrophobicContact CD1-CB 4.28Å; Y820-P836 HydrophobicContact CD1-CG 4.13Å; Y820-P836 HydrophobicContact CD2-CB 4.08Å; Y820-P836 HydrophobicContact CD2-CG 4.15Å; Y820-P836 HydrophobicContact CE1-CB 3.92Å; Y820-P836 HydrophobicContact CE1-CG 4.27Å; Y820-P836 HydrophobicContact CE2-CB 3.73Å; Y820-P836 HydrophobicContact CE2-CG 4.31Å; Y820-P836 HydrophobicContact CG-CB 4.35Å; Y820-P836 HydrophobicContact CG-CG 4.07Å
821	R	94.3	Very high	94	Very high	32 Å²	32	50 Å²	50	12%	0.121	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-36.8	179.8	-179.3	56.3	177	-78.1	12.9	112.9	L817 A818 C819 S828 A829 Q832 L1031	L817-R821 WeakPolarHBondContact O-CB 3.22Å; L817-R821 PolarHBondContact O-N 2.82Å; A818-R821 PolarHBondContact O-N 3.3Å; C819-R821 PolarHBondContact O-N 3.15Å; R821-S828 PolarHBondContact NE-OG 3.43Å; R821-S828 PolarHBondContact NH2-O 2.72Å; R821-S828 PolarHBondContact NH2-OG 2.98Å; R821-S828 VanDerWaalsContact NH2-OG 3.12Å; R821-A829 PolarHBondContact NH2-O 3.44Å; R821-Q832 PolarHBondContact NH1-O 3.2Å; R821-L1031 HydrophobicContact CB-CD1 4.38Å; R821-L1031 HydrophobicContact CG-CD1 3.81Å
822	K	94.6	Very high	93.5	Very high	150 Å²	150	50.6 Å²	50.6	65%	0.652	30%	0.303	S	S	*	.	H	α-helix	trans	-78.4	-35.6	-178.6	-174.2	168.1	-177.6	167.7	0	113.7	A818 C819 Y820 L1031	A818-K822 WeakPolarHBondContact O-CB 3.38Å; A818-K822 PolarHBondContact O-N 2.96Å; C819-K822 PolarHBondContact O-N 3.45Å; Y820-K822 VanDerWaalsContact C-N 3.31Å; Y820-K822 PolarHBondContact O-N 2.93Å; K822-L1031 HydrophobicContact CB-CD2 3.81Å; K822-L1031 HydrophobicContact CD-CD2 4.36Å; K822-L1031 HydrophobicContact CG-CD2 4.4Å
823	N	94.9	Very high	93.1	Very high	75 Å²	75	51.1 Å²	51.1	40%	0.401	31%	0.307	S	S	.	.	H	α-helix	trans	-116	-13.7	-165.9	-54.4	-78.1	0	0	0	114.9	Q328 L773 C819 Y820	Q328-N823 PolarHBondContact NE2-OD1 3.4Å; L773-N823 HydrophobicContact CD1-CB 3.74Å; C819-N823 WeakPolarHBondContact O-CB 3.43Å; C819-N823 PolarHBondContact O-N 3.39Å; C819-N823 PolarHBondContact O-ND2 3.03Å; C819-N823 PolarHBondContact SG-ND2 3.33Å; C819-N823 VanDerWaalsContact SG-ND2 3.38Å; Y820-N823 PolarHBondContact O-N 2.9Å
824	C	94.6	Very high	92.8	Very high	38 Å²	38	53.2 Å²	53.2	26%	0.257	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.1	-29.1	-172.8	-57.5	0	0	0	0	114.7	Y820	Y820-C824 HydrophobicContact CD2-CB 3.52Å; Y820-C824 HydrophobicContact CE2-CB 3.48Å; Y820-C824 VanDerWaalsContact CE2-CB 3.48Å; Y820-C824 HydrophobicContact CG-CB 4.38Å; Y820-C824 PolarHBondContact O-N 3.31Å
825	A	91.4	Very high	92.6	Very high	23 Å²	23	54.8 Å²	54.8	19%	0.19	33%	0.326	C	S	.	.	S	Bend	trans	-71.3	146.3	177.8	0	0	0	0	0	112.2	Y820 I834	Y820-A825 HydrophobicContact CD1-CB 4.48Å; Y820-A825 HydrophobicContact CE1-CB 4.25Å; Y820-A825 PolarHBondContact O-N 3.39Å; A825-I834 HydrophobicContact CB-CB 4.46Å; A825-I834 HydrophobicContact CB-CG2 4.01Å
826	S	90.7	Very high	92.5	Very high	89 Å²	89	52.4 Å²	52.4	62%	0.622	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-68	153.2	171.1	50.8	0	0	0	0	111.9	S828	S826-S828 WeakPolarHBondContact O-CB 3.18Å; S826-S828 PolarHBondContact O-N 3.02Å; S826-S828 PolarHBondContact O-OG 3.44Å
827	P	88.9	Confident	92.2	Very high	141 Å²	141	57.9 Å²	57.9	92%	0.916	34%	0.344	S	S	*	.	S	Bend	trans	-52	123.1	174.8	-28.6	36.5	0	0	0	112
828	S	90.6	Very high	92.2	Very high	41 Å²	41	59 Å²	59	29%	0.287	35%	0.352	S	S	.	.			trans	-155.6	151.5	-164.4	41.9	0	0	0	0	109.3	R821 S826	R821-S828 PolarHBondContact NE-OG 3.43Å; R821-S828 PolarHBondContact NH2-O 2.72Å; R821-S828 PolarHBondContact NH2-OG 2.98Å; R821-S828 VanDerWaalsContact NH2-OG 3.12Å; S826-S828 WeakPolarHBondContact O-CB 3.18Å; S826-S828 PolarHBondContact O-N 3.02Å; S826-S828 PolarHBondContact O-OG 3.44Å
829	A	87.9	Confident	92.2	Very high	51 Å²	51	58.8 Å²	58.8	42%	0.421	35%	0.35	S	S	.	.			trans	-64	141.6	-170.8	0	0	0	0	0	112.2	R821 S831 Q832	R821-A829 PolarHBondContact NH2-O 3.44Å; A829-S831 PolarHBondContact O-N 2.68Å; A829-S831 VanDerWaalsContact O-N 3.11Å; A829-Q832 HydrophobicContact CB-CG 4.23Å; A829-Q832 WeakPolarHBondContact O-CB 3.33Å; A829-Q832 PolarHBondContact O-N 3.12Å
830	A	85.1	Confident	92	Very high	80 Å²	80	62.4 Å²	62.4	66%	0.661	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.4	-177.4	0	0	0	0	0	113.5	Q832 H1024	A830-Q832 VanDerWaalsContact C-N 3.27Å; A830-Q832 PolarHBondContact O-N 3.38Å; A830-H1024 PolarHBondContact O-CE1 2.92Å
831	S	85.1	Confident	92	Very high	101 Å²	101	60.8 Å²	60.8	71%	0.706	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.9	174.5	51.9	0	0	0	0	115.2	A829	A829-S831 PolarHBondContact O-N 2.68Å; A829-S831 VanDerWaalsContact O-N 3.11Å
832	Q	87.1	Confident	92.2	Very high	94 Å²	94	59.3 Å²	59.3	44%	0.439	35%	0.354	S	S	.	.	S	Bend	trans	-98	136.2	175.8	-62	175.6	-64	0	0	110.1	R821 A829 A830 I834	R821-Q832 PolarHBondContact NH1-O 3.2Å; A829-Q832 HydrophobicContact CB-CG 4.23Å; A829-Q832 WeakPolarHBondContact O-CB 3.33Å; A829-Q832 PolarHBondContact O-N 3.12Å; A830-Q832 VanDerWaalsContact C-N 3.27Å; A830-Q832 PolarHBondContact O-N 3.38Å; Q832-I834 HydrophobicContact CB-CD1 3.95Å
833	L	88.4	Confident	92.3	Very high	51 Å²	51	52.1 Å²	52.1	27%	0.267	32%	0.323	S	S	.	.			trans	-89.8	118.8	164.9	178.3	61.7	0	0	0	108.7	L835 L1020 I1027	L833-L835 HydrophobicContact CD1-CD2 4.16Å; L833-L835 HydrophobicContact CD2-CD2 4.26Å; L833-L835 HydrophobicContact CG-CD2 4Å; L833-L835 HydrophobicContact CG-CG 4.4Å; L833-L1020 HydrophobicContact CD2-CD2 3.85Å; L833-I1027 HydrophobicContact CD1-CD1 3.47Å; L833-I1027 VanDerWaalsContact CD1-CD1 3.47Å
834	I	92.1	Very high	92.4	Very high	44 Å²	44	48.6 Å²	48.6	23%	0.226	30%	0.304	C	S	.	.			trans	-105.7	127.7	178.5	-47.7	-60.5	0	0	0	108.7	Y820 A825 Q832	Y820-I834 HydrophobicContact CE1-CG2 4.18Å; A825-I834 HydrophobicContact CB-CB 4.46Å; A825-I834 HydrophobicContact CB-CG2 4.01Å; Q832-I834 HydrophobicContact CB-CD1 3.95Å
835	L	93.7	Very high	92.6	Very high	32 Å²	32	47 Å²	47	17%	0.168	29%	0.293	C	S	.	.			trans	-120	144.9	178.2	-52.7	177.8	0	0	0	109	L817 L833 P843	L817-L835 HydrophobicContact CD1-CD2 3.69Å; L817-L835 HydrophobicContact CD2-CD2 3.65Å; L817-L835 HydrophobicContact CG-CD2 4.22Å; L833-L835 HydrophobicContact CD1-CD2 4.16Å; L833-L835 HydrophobicContact CD2-CD2 4.26Å; L833-L835 HydrophobicContact CG-CD2 4Å; L833-L835 HydrophobicContact CG-CG 4.4Å; L835-P843 HydrophobicContact CD1-CG 4.23Å; L835-P843 HydrophobicContact CD2-CG 4.44Å
836	P	95.5	Very high	93	Very high	4 Å²	4	46 Å²	46	3%	0.026	28%	0.284	C	S	.	.			trans	-71.3	151.6	166.7	27	-26.4	0	0	0	110.4	Y777 Y820 S838 M839 K840	Y777-P836 HydrophobicContact CD1-CG 3.94Å; Y820-P836 HydrophobicContact CD1-CB 4.28Å; Y820-P836 HydrophobicContact CD1-CG 4.13Å; Y820-P836 HydrophobicContact CD2-CB 4.08Å; Y820-P836 HydrophobicContact CD2-CG 4.15Å; Y820-P836 HydrophobicContact CE1-CB 3.92Å; Y820-P836 HydrophobicContact CE1-CG 4.27Å; Y820-P836 HydrophobicContact CE2-CB 3.73Å; Y820-P836 HydrophobicContact CE2-CG 4.31Å; Y820-P836 HydrophobicContact CG-CB 4.35Å; Y820-P836 HydrophobicContact CG-CG 4.07Å; P836-S838 VanDerWaalsContact C-N 3.28Å; P836-S838 PolarHBondContact O-N 3Å; P836-M839 HydrophobicContact CG-CB 3.87Å; P836-M839 HydrophobicContact CG-CG 3.92Å; P836-M839 HydrophobicContact CG-SD 3.96Å; P836-M839 CarbonylContact O-C 3.49Å; P836-M839 PolarHBondContact O-N 3.01Å; P836-K840 PolarHBondContact O-N 3.33Å; P836-K840 VanDerWaalsContact O-N 3.15Å
837	D	93.4	Very high	93.3	Very high	114 Å²	114	41.7 Å²	41.7	61%	0.61	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-53.2	-43.7	-177.5	-69.3	-76.7	0	0	0	113.4	M839 K840	D837-M839 PolarHBondContact O-N 3.06Å; D837-K840 WeakPolarHBondContact O-CB 3.43Å; D837-K840 PolarHBondContact O-N 3.5Å; D837-K840 WeakPolarHBondContact OD1-CE 3.38Å; D837-K840 IonicContact OD1-NZ 3.62Å; D837-K840 PolarHBondContact OD1-NZ 2.59Å
838	S	96.1	Very high	93.7	Very high	25 Å²	25	35.2 Å²	35.2	18%	0.175	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-59.2	-21.7	176.6	54.7	0	0	0	0	114.9	Y777 C780 T782 P836	Y777-S838 WeakPolarHBondContact O-CB 3.41Å; Y777-S838 PolarHBondContact O-OG 3.29Å; C780-S838 WeakPolarHBondContact O-CB 3.23Å; T782-S838 PolarHBondContact OG1-O 3.35Å; P836-S838 VanDerWaalsContact C-N 3.28Å; P836-S838 PolarHBondContact O-N 3Å
839	M	97.3	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-118.3	11.3	-178.7	-57.2	-177	174.6	0	0	113.4	I331 Y777 C780 L785 L817 P836 D837 V841 L842 P843	I331-M839 HydrophobicContact CD1-CE 3.74Å; I331-M839 HydrophobicContact CG1-CE 3.89Å; Y777-M839 HydrophobicContact CD1-CE 3.85Å; Y777-M839 HydrophobicContact CD1-SD 4.09Å; Y777-M839 HydrophobicContact CE1-CE 4.04Å; Y777-M839 HydrophobicContact CE1-SD 4.22Å; C780-M839 HydrophobicContact CB-CE 4.06Å; L785-M839 HydrophobicContact CD1-CE 4.09Å; L817-M839 HydrophobicContact CD2-SD 4.27Å; P836-M839 HydrophobicContact CG-CB 3.87Å; P836-M839 HydrophobicContact CG-CG 3.92Å; P836-M839 HydrophobicContact CG-SD 3.96Å; P836-M839 CarbonylContact O-C 3.49Å; P836-M839 PolarHBondContact O-N 3.01Å; D837-M839 PolarHBondContact O-N 3.06Å; M839-V841 PolarHBondContact O-N 3.38Å; M839-L842 HydrophobicContact CB-CB 3.94Å; M839-L842 HydrophobicContact CB-CD2 4.14Å; M839-L842 HydrophobicContact CG-CD2 4.03Å; M839-L842 WeakPolarHBondContact O-CB 3.2Å; M839-L842 PolarHBondContact O-N 3.43Å; M839-L842 HydrophobicContact SD-CD2 3.88Å; M839-P843 WeakPolarHBondContact O-CD 3.49Å
840	K	92.5	Very high	94.5	Very high	84 Å²	84	31.3 Å²	31.3	37%	0.365	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-38.5	178.6	-90.7	169.7	166.4	166.6	0	113.7	P265 V270 P836 D837	P265-K840 HydrophobicContact CB-CB 4.34Å; P265-K840 WeakPolarHBondContact CB-O 3.29Å; V270-K840 HydrophobicContact CG2-CB 4.46Å; P836-K840 PolarHBondContact O-N 3.33Å; P836-K840 VanDerWaalsContact O-N 3.15Å; D837-K840 WeakPolarHBondContact O-CB 3.43Å; D837-K840 PolarHBondContact O-N 3.5Å; D837-K840 WeakPolarHBondContact OD1-CE 3.38Å; D837-K840 IonicContact OD1-NZ 3.62Å; D837-K840 PolarHBondContact OD1-NZ 2.59Å
841	V	97.1	Very high	94.9	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.048	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	4.8	-176.7	-64	0	0	0	0	113.9	P265 P267 V270 T782 M839 V844 Y845	P265-V841 HydrophobicContact CB-CG1 4.39Å; P267-V841 HydrophobicContact CG-CB 4.48Å; P267-V841 HydrophobicContact CG-CG1 4.22Å; V270-V841 HydrophobicContact CB-CG1 4.32Å; V270-V841 HydrophobicContact CG1-CG2 4.46Å; V270-V841 HydrophobicContact CG2-CG1 3.74Å; T782-V841 HydrophobicContact CG2-CG2 4.13Å; M839-V841 PolarHBondContact O-N 3.38Å; V841-V844 HydrophobicContact CB-CG1 3.84Å; V841-V844 HydrophobicContact CG1-CG1 4.32Å; V841-V844 WeakPolarHBondContact O-CG1 3.49Å; V841-V844 PolarHBondContact O-N 3.38Å; V841-Y845 HydrophobicContact CG2-CE2 4.25Å; V841-Y845 PolarHBondContact O-N 3.32Å
842	L	98.3	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.1	-41.7	173.5	-175.5	69	0	0	0	112.5	T782 L785 I786 M816 M839 V844 M846	T782-L842 HydrophobicContact CG2-CB 4.13Å; T782-L842 HydrophobicContact CG2-CD1 4.12Å; L785-L842 HydrophobicContact CB-CD1 4.13Å; L785-L842 HydrophobicContact CD1-CD1 4.45Å; I786-L842 HydrophobicContact CD1-CD1 3.89Å; I786-L842 HydrophobicContact CG1-CD1 4.02Å; M816-L842 HydrophobicContact CE-CD2 4.02Å; M839-L842 HydrophobicContact CB-CB 3.94Å; M839-L842 HydrophobicContact CB-CD2 4.14Å; M839-L842 HydrophobicContact CG-CD2 4.03Å; M839-L842 WeakPolarHBondContact O-CB 3.2Å; M839-L842 PolarHBondContact O-N 3.43Å; M839-L842 HydrophobicContact SD-CD2 3.88Å; L842-V844 PolarHBondContact O-N 2.9Å; L842-M846 VanDerWaalsContact O-CB 3.27Å; L842-M846 WeakPolarHBondContact O-CB 3.46Å; L842-M846 PolarHBondContact O-N 3.47Å
843	P	97.9	Very high	95.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.3	-34.2	-179.8	-21.8	34.4	0	0	0	114.1	L817 L835 M839 N847 Y1016 F1019 L1020	L817-P843 HydrophobicContact CD1-CG 4.27Å; L835-P843 HydrophobicContact CD1-CG 4.23Å; L835-P843 HydrophobicContact CD2-CG 4.44Å; M839-P843 WeakPolarHBondContact O-CD 3.49Å; P843-N847 PolarHBondContact O-N 3.04Å; P843-Y1016 HydrophobicContact CB-CE2 4.34Å; P843-F1019 HydrophobicContact CB-CD1 4.4Å; P843-F1019 HydrophobicContact CB-CE1 4.36Å; P843-F1019 WeakPolarHBondContact O-CD1 3.48Å; P843-F1019 VanDerWaalsContact O-CE1 3.28Å; P843-F1019 WeakPolarHBondContact O-CE1 3.29Å; P843-L1020 HydrophobicContact CB-CD2 3.76Å; P843-L1020 HydrophobicContact CG-CD2 4.2Å
844	V	97.6	Very high	96	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-69.8	-48.1	176.6	47.6	0	0	0	0	110.4	P267 V841 L842 M846 N847 C848 Y886 E1006 Y1016	P267-V844 HydrophobicContact CG-CG1 3.66Å; P267-V844 HydrophobicContact CG-CG2 4.24Å; V841-V844 HydrophobicContact CB-CG1 3.84Å; V841-V844 HydrophobicContact CG1-CG1 4.32Å; V841-V844 WeakPolarHBondContact O-CG1 3.49Å; V841-V844 PolarHBondContact O-N 3.38Å; L842-V844 PolarHBondContact O-N 2.9Å; V844-M846 VanDerWaalsContact C-N 3.31Å; V844-M846 PolarHBondContact O-N 3.31Å; V844-N847 WeakPolarHBondContact O-CB 3.23Å; V844-N847 PolarHBondContact O-N 2.91Å; V844-N847 VanDerWaalsContact O-N 3.13Å; V844-C848 PolarHBondContact O-N 2.96Å; V844-C848 PolarHBondContact O-SG 3.36Å; V844-Y886 HydrophobicContact CG2-CD2 4.45Å; V844-Y886 HydrophobicContact CG2-CE2 4.29Å; V844-E1006 HydrophobicContact CG2-CG 4.14Å; V844-Y1016 HydrophobicContact CB-CD1 4.06Å; V844-Y1016 HydrophobicContact CB-CD2 3.62Å; V844-Y1016 HydrophobicContact CB-CE1 4Å; V844-Y1016 HydrophobicContact CB-CE2 3.55Å; V844-Y1016 HydrophobicContact CB-CG 3.9Å; V844-Y1016 HydrophobicContact CG1-CE1 4.43Å; V844-Y1016 HydrophobicContact CG1-CE2 4.28Å; V844-Y1016 HydrophobicContact CG2-CD1 4.18Å; V844-Y1016 HydrophobicContact CG2-CD2 4.27Å; V844-Y1016 HydrophobicContact CG2-CE1 4.49Å; V844-Y1016 HydrophobicContact CG2-CG 4.09Å
845	Y	98.5	Very high	96.1	Very high	6 Å²	6	16.4 Å²	16.4	2%	0.024	9%	0.085	C	C	.	.	H	α-helix	trans	-65.1	-33.4	177.9	-65.1	-9	0	0	0	112.7	P267 T782 D783 I786 V841 C848 L849 Y886	P267-Y845 HydrophobicContact CB-CE1 3.88Å; P267-Y845 HydrophobicContact CG-CE1 3.89Å; T782-Y845 HydrophobicContact CG2-CD2 3.67Å; T782-Y845 HydrophobicContact CG2-CE2 4.13Å; D783-Y845 WeakPolarHBondContact OD1-CE2 2.8Å; I786-Y845 HydrophobicContact CG1-CD2 4.2Å; I786-Y845 HydrophobicContact CG1-CG 4.46Å; V841-Y845 HydrophobicContact CG2-CE2 4.25Å; V841-Y845 PolarHBondContact O-N 3.32Å; Y845-C848 WeakPolarHBondContact O-CB 3.07Å; Y845-C848 PolarHBondContact O-N 3.01Å; Y845-L849 PolarHBondContact O-N 3.24Å; Y845-Y886 HydrophobicContact CD1-CD2 4.09Å; Y845-Y886 HydrophobicContact CD1-CG 4.24Å; Y845-Y886 VanDerWaalsContact CE1-CB 3.47Å; Y845-Y886 HydrophobicContact CE1-CD1 4.36Å; Y845-Y886 AromaticContact CE1-CD2 3.75Å; Y845-Y886 HydrophobicContact CE1-CD2 3.75Å; Y845-Y886 AromaticContact CE1-CG 3.59Å; Y845-Y886 HydrophobicContact CE1-CG 3.59Å
846	M	98.6	Very high	95.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-64.3	-42	171.6	-175.2	58	66.1	0	0	111.8	I786 F789 L809 T813 L842 V844 C848 L849 L850 F1019	I786-M846 HydrophobicContact CD1-CB 4.42Å; I786-M846 HydrophobicContact CD1-CE 4.27Å; F789-M846 HydrophobicContact CB-CE 3.99Å; F789-M846 HydrophobicContact CD1-CE 4.32Å; F789-M846 HydrophobicContact CD2-CE 3.59Å; F789-M846 HydrophobicContact CE2-CE 4.12Å; F789-M846 HydrophobicContact CG-CE 3.73Å; L809-M846 HydrophobicContact CB-SD 3.99Å; L809-M846 HydrophobicContact CD1-SD 4.43Å; L809-M846 HydrophobicContact CD2-CE 4.21Å; L809-M846 HydrophobicContact CD2-SD 4.1Å; L809-M846 HydrophobicContact CG-SD 4.41Å; T813-M846 HydrophobicContact CG2-CG 4.43Å; L842-M846 VanDerWaalsContact O-CB 3.27Å; L842-M846 WeakPolarHBondContact O-CB 3.46Å; L842-M846 PolarHBondContact O-N 3.47Å; V844-M846 VanDerWaalsContact C-N 3.31Å; V844-M846 PolarHBondContact O-N 3.31Å; M846-C848 VanDerWaalsContact C-N 3.28Å; M846-C848 PolarHBondContact O-N 2.82Å; M846-L849 PolarHBondContact O-N 3.02Å; M846-L849 HydrophobicContact SD-CD2 4.17Å; M846-L850 HydrophobicContact CG-CD1 4.08Å; M846-L850 WeakPolarHBondContact O-CB 3.24Å; M846-L850 VanDerWaalsContact O-CG 3.27Å; M846-L850 WeakPolarHBondContact O-CG 3.35Å; M846-L850 PolarHBondContact O-N 2.98Å; M846-L850 HydrophobicContact SD-CD1 4.47Å; M846-L850 HydrophobicContact SD-CG 4.47Å; M846-F1019 HydrophobicContact CB-CE1 4.18Å; M846-F1019 HydrophobicContact CB-CZ 4.36Å; M846-F1019 HydrophobicContact CG-CE1 4.21Å; M846-F1019 HydrophobicContact CG-CZ 3.89Å
847	N	97.6	Very high	94.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-35.7	172.1	-170.2	62.3	0	0	0	111.9	P843 V844 L850 K851 S1014 F1019	P843-N847 PolarHBondContact O-N 3.04Å; V844-N847 WeakPolarHBondContact O-CB 3.23Å; V844-N847 PolarHBondContact O-N 2.91Å; V844-N847 VanDerWaalsContact O-N 3.13Å; N847-L850 PolarHBondContact O-N 3.03Å; N847-K851 WeakPolarHBondContact O-CB 3.12Å; N847-K851 WeakPolarHBondContact O-CG 3.34Å; N847-K851 PolarHBondContact O-N 2.95Å; N847-S1014 PolarHBondContact ND2-O 2.94Å; N847-S1014 PolarHBondContact OD1-O 3.41Å; N847-S1014 PolarHBondContact OD1-OG 3.38Å; N847-F1019 HydrophobicContact CB-CB 3.94Å; N847-F1019 HydrophobicContact CB-CD1 3.75Å; N847-F1019 HydrophobicContact CB-CD2 4.27Å; N847-F1019 HydrophobicContact CB-CE1 4.33Å; N847-F1019 HydrophobicContact CB-CG 3.71Å; N847-F1019 WeakPolarHBondContact OD1-CB 3.45Å
848	C	97.7	Very high	93.5	Very high	4 Å²	4	16.3 Å²	16.3	3%	0.027	8%	0.077	C	C	.	.	H	α-helix	trans	-64.7	-43.2	175.6	-58.9	0	0	0	0	111.9	V844 Y845 M846 K851 N852 F885 V1005	V844-C848 PolarHBondContact O-N 2.96Å; V844-C848 PolarHBondContact O-SG 3.36Å; Y845-C848 WeakPolarHBondContact O-CB 3.07Å; Y845-C848 PolarHBondContact O-N 3.01Å; M846-C848 VanDerWaalsContact C-N 3.28Å; M846-C848 PolarHBondContact O-N 2.82Å; C848-K851 CarbonylContact O-C 3.53Å; C848-K851 PolarHBondContact O-N 3.18Å; C848-N852 PolarHBondContact O-N 3.05Å; C848-F885 HydrophobicContact CB-CB 4.4Å; C848-F885 VanDerWaalsContact CB-O 3.25Å; C848-F885 WeakPolarHBondContact CB-O 3.27Å; C848-V1005 HydrophobicContact CB-CB 4.36Å; C848-V1005 VanDerWaalsContact SG-CG2 3.54Å
849	L	98.1	Very high	91.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.7	-45.1	172.3	173.3	59.2	0	0	0	111.6	F789 A790 F794 L809 Y845 M846 K851 N852 L855 F885	F789-L849 HydrophobicContact CB-CD2 4.04Å; A790-L849 HydrophobicContact CB-CD1 3.87Å; A790-L849 HydrophobicContact CB-CD2 4.26Å; F794-L849 HydrophobicContact CE1-CD1 3.79Å; F794-L849 HydrophobicContact CZ-CD1 4.23Å; L809-L849 HydrophobicContact CD1-CD2 4.09Å; L809-L849 HydrophobicContact CD1-CG 4.46Å; L809-L849 HydrophobicContact CD2-CD2 4.43Å; Y845-L849 PolarHBondContact O-N 3.24Å; M846-L849 PolarHBondContact O-N 3.02Å; M846-L849 HydrophobicContact SD-CD2 4.17Å; L849-K851 PolarHBondContact O-N 2.68Å; L849-N852 WeakPolarHBondContact O-CB 3.34Å; L849-N852 PolarHBondContact O-N 2.73Å; L849-N852 VanDerWaalsContact O-N 3.13Å; L849-L855 HydrophobicContact CD1-CD1 4.12Å; L849-L855 HydrophobicContact CG-CD1 4.17Å; L849-F885 HydrophobicContact CB-CD1 4.47Å; L849-F885 HydrophobicContact CB-CE1 4.41Å; L849-F885 HydrophobicContact CD1-CE1 3.7Å; L849-F885 HydrophobicContact CD1-CZ 3.76Å
850	L	96.3	Very high	91	Very high	11 Å²	11	23.1 Å²	23.1	6%	0.058	11%	0.111	C	C	.	.	H	α-helix	trans	-69.2	-19.2	177.9	-66.7	168.5	0	0	0	113.6	R806 L809 V810 M846 N847 F1019	R806-L850 HydrophobicContact CB-CD2 3.96Å; R806-L850 HydrophobicContact CG-CD2 3.73Å; L809-L850 HydrophobicContact CB-CD2 4.13Å; L809-L850 HydrophobicContact CD1-CD2 3.81Å; V810-L850 HydrophobicContact CG2-CD1 3.69Å; M846-L850 HydrophobicContact CG-CD1 4.08Å; M846-L850 WeakPolarHBondContact O-CB 3.24Å; M846-L850 VanDerWaalsContact O-CG 3.27Å; M846-L850 WeakPolarHBondContact O-CG 3.35Å; M846-L850 PolarHBondContact O-N 2.98Å; M846-L850 HydrophobicContact SD-CD1 4.47Å; M846-L850 HydrophobicContact SD-CG 4.47Å; N847-L850 PolarHBondContact O-N 3.03Å; L850-F1019 HydrophobicContact CD1-CD2 4.38Å; L850-F1019 HydrophobicContact CD1-CE2 3.43Å; L850-F1019 VanDerWaalsContact CD1-CE2 3.43Å; L850-F1019 HydrophobicContact CD1-CZ 3.72Å
851	K	94.6	Very high	90.6	Very high	24 Å²	24	20.5 Å²	20.5	10%	0.104	10%	0.1	C	C	.	.	H	α-helix	trans	-89.5	-13	170.8	-81.7	180	61.1	177.8	0	113.9	N847 C848 L849 L856 L1004 V1005 D1007	N847-K851 WeakPolarHBondContact O-CB 3.12Å; N847-K851 WeakPolarHBondContact O-CG 3.34Å; N847-K851 PolarHBondContact O-N 2.95Å; C848-K851 CarbonylContact O-C 3.53Å; C848-K851 PolarHBondContact O-N 3.18Å; L849-K851 PolarHBondContact O-N 2.68Å; K851-L856 WeakPolarHBondContact O-CD1 3.39Å; K851-L1004 PolarHBondContact NZ-O 2.91Å; K851-V1005 VanDerWaalsContact NZ-C 3.26Å; K851-V1005 PolarHBondContact NZ-O 3.46Å; K851-D1007 PolarHBondContact NZ-O 3.37Å
852	N	95.3	Very high	90.2	Very high	21 Å²	21	22.8 Å²	22.8	11%	0.112	12%	0.117	C	C	.	.	S	Bend	trans	-67	145	180	176.6	-91.5	0	0	0	111	C848 L849 V854 L855 L856 Q869 F885	C848-N852 PolarHBondContact O-N 3.05Å; L849-N852 WeakPolarHBondContact O-CB 3.34Å; L849-N852 PolarHBondContact O-N 2.73Å; L849-N852 VanDerWaalsContact O-N 3.13Å; N852-V854 PolarHBondContact O-N 2.62Å; N852-V854 WeakPolarHBondContact OD1-CB 3.37Å; N852-V854 VanDerWaalsContact OD1-CG2 3.24Å; N852-V854 WeakPolarHBondContact OD1-CG2 3.27Å; N852-V854 PolarHBondContact OD1-N 3.37Å; N852-L855 PolarHBondContact O-N 3.25Å; N852-L856 PolarHBondContact O-N 3.35Å; N852-Q869 PolarHBondContact ND2-OE1 3Å; N852-F885 HydrophobicContact CB-CE1 4.08Å
853	C	92.7	Very high	90	Very high	11 Å²	11	23 Å²	23	7%	0.074	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.6	-173.3	67	0	0	0	0	114.1	L855 L856 I861 R866 Q869	C853-L855 VanDerWaalsContact C-N 3.25Å; C853-L855 PolarHBondContact O-N 3.15Å; C853-L856 PolarHBondContact O-N 2.96Å; C853-L856 VanDerWaalsContact O-O 3.06Å; C853-I861 HydrophobicContact CB-CD1 3.55Å; C853-I861 HydrophobicContact CB-CG2 4.12Å; C853-R866 HydrophobicContact CB-CG 4.36Å; C853-R866 WeakPolarHBondContact O-CD 3.49Å; C853-Q869 VanDerWaalsContact SG-CD 3.54Å; C853-Q869 PolarHBondContact SG-OE1 2.81Å
854	V	95.7	Very high	89.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.9	177.3	179	0	0	0	0	112.4	F794 V797 L802 N852 R866 Q869 R870	F794-V854 HydrophobicContact CD1-CB 4.32Å; F794-V854 HydrophobicContact CD1-CG1 3.69Å; F794-V854 HydrophobicContact CD2-CG1 4.26Å; F794-V854 HydrophobicContact CE1-CB 3.7Å; F794-V854 HydrophobicContact CE1-CG1 3.6Å; F794-V854 HydrophobicContact CE1-CG2 4.36Å; F794-V854 HydrophobicContact CE2-CB 4.12Å; F794-V854 HydrophobicContact CE2-CG1 4.14Å; F794-V854 HydrophobicContact CE2-CG2 3.87Å; F794-V854 HydrophobicContact CG-CG1 4.04Å; F794-V854 HydrophobicContact CZ-CB 3.59Å; F794-V854 HydrophobicContact CZ-CG1 3.84Å; F794-V854 HydrophobicContact CZ-CG2 3.76Å; V797-V854 HydrophobicContact CG2-CG1 4.1Å; L802-V854 WeakPolarHBondContact CD1-O 3.44Å; N852-V854 PolarHBondContact O-N 2.62Å; N852-V854 WeakPolarHBondContact OD1-CB 3.37Å; N852-V854 VanDerWaalsContact OD1-CG2 3.24Å; N852-V854 WeakPolarHBondContact OD1-CG2 3.27Å; N852-V854 PolarHBondContact OD1-N 3.37Å; V854-R866 WeakPolarHBondContact CG2-O 3.37Å; V854-Q869 HydrophobicContact CG2-CB 4.01Å; V854-R870 HydrophobicContact CG1-CB 4Å; V854-R870 HydrophobicContact CG1-CG 4.09Å; V854-R870 HydrophobicContact CG2-CB 4.03Å
855	L	94.2	Very high	89.7	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-1.4	177.9	-58.7	-178	0	0	0	113.2	A793 F794 V797 L802 I805 R806 L809 L849 N852 C853	A793-L855 HydrophobicContact CB-CD1 4.3Å; F794-L855 HydrophobicContact CE1-CD1 4.43Å; F794-L855 HydrophobicContact CE1-CG 4.15Å; V797-L855 HydrophobicContact CG2-CD2 4.1Å; L802-L855 HydrophobicContact CD2-CD2 4.2Å; I805-L855 HydrophobicContact CG2-CD2 4.23Å; R806-L855 WeakPolarHBondContact CD-O 3.49Å; R806-L855 HydrophobicContact CG-CB 4.32Å; R806-L855 PolarHBondContact NH1-O 2.95Å; L809-L855 HydrophobicContact CD1-CD1 3.91Å; L849-L855 HydrophobicContact CD1-CD1 4.12Å; L849-L855 HydrophobicContact CG-CD1 4.17Å; N852-L855 PolarHBondContact O-N 3.25Å; C853-L855 VanDerWaalsContact C-N 3.25Å; C853-L855 PolarHBondContact O-N 3.15Å
856	L	87.3	Confident	89.6	Confident	19 Å²	19	24.6 Å²	24.6	10%	0.099	13%	0.126	C	C	.	.			trans	-92.1	125.4	169.3	-66.7	-178.8	0	0	0	110.9	K851 N852 C853 R858 R866	K851-L856 WeakPolarHBondContact O-CD1 3.39Å; N852-L856 PolarHBondContact O-N 3.35Å; C853-L856 PolarHBondContact O-N 2.96Å; C853-L856 VanDerWaalsContact O-O 3.06Å; L856-R858 PolarHBondContact O-N 3.14Å; L856-R866 PolarHBondContact O-NH1 2.8Å
857	S	69.3	Low	89.5	Confident	14 Å²	14	24.7 Å²	24.7	10%	0.098	13%	0.127	C	C	.	.			trans	-95.1	76.3	176.9	-59.6	0	0	0	0	110.3	V602 N603 E607 L802	V602-S857 VanDerWaalsContact CG1-C 3.48Å; N603-S857 VanDerWaalsContact ND2-CB 3.34Å; N603-S857 WeakPolarHBondContact ND2-CB 3.4Å; N603-S857 PolarHBondContact ND2-O 2.86Å; N603-S857 WeakPolarHBondContact OD1-CB 3.27Å; E607-S857 PolarHBondContact OE2-OG 3.44Å; L802-S857 WeakPolarHBondContact CD1-OG 3.45Å
858	R	70.9	Confident	89.5	Confident	116 Å²	116	25.8 Å²	25.8	44%	0.438	13%	0.131	S	C	.	.			trans	-129.7	125	-172.7	-83.4	-67.2	-170.2	-161.2	2.1	112.8	L856 E860 Y1011	L856-R858 PolarHBondContact O-N 3.14Å; R858-E860 WeakPolarHBondContact CB-OE2 3.28Å; R858-E860 WeakPolarHBondContact CD-OE2 3.22Å; R858-E860 PolarHBondContact O-N 3.11Å; R858-E860 VanDerWaalsContact O-N 3.16Å; R858-Y1011 WeakPolarHBondContact CG-O 3.08Å; R858-Y1011 PolarHBondContact NE-O 3.21Å
859	P	63.6	Low	89.6	Confident	52 Å²	52	26.7 Å²	26.7	34%	0.338	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-9	-174.6	-20.8	33.7	0	0	0	116.4	K599	K599-P859 HydrophobicContact CD-CB 4.18Å; K599-P859 PolarHBondContact NZ-O 3.19Å
860	E	77.2	Confident	89.6	Confident	115 Å²	115	27.6 Å²	27.6	54%	0.537	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.9	-178.1	-60.4	73.9	-160.3	0	0	113	R858 Y1011	R858-E860 WeakPolarHBondContact CB-OE2 3.28Å; R858-E860 WeakPolarHBondContact CD-OE2 3.22Å; R858-E860 PolarHBondContact O-N 3.11Å; R858-E860 VanDerWaalsContact O-N 3.16Å; E860-Y1011 HydrophobicContact CB-CD1 3.93Å; E860-Y1011 HydrophobicContact CB-CE1 3.81Å; E860-Y1011 HydrophobicContact CG-CD1 4.07Å; E860-Y1011 HydrophobicContact CG-CE1 4.07Å
861	I	83.4	Confident	89.7	Confident	29 Å²	29	27.7 Å²	27.7	15%	0.149	14%	0.138	C	C	.	.	S	Bend	trans	-98.2	131.2	177.1	-55.5	178.8	0	0	0	108.5	C853 E865 R866	C853-I861 HydrophobicContact CB-CD1 3.55Å; C853-I861 HydrophobicContact CB-CG2 4.12Å; I861-E865 HydrophobicContact CG2-CB 4.3Å; I861-R866 HydrophobicContact CG2-CG 4.02Å
862	S	90.3	Very high	89.9	Confident	56 Å²	56	26.8 Å²	26.8	39%	0.392	13%	0.134	S	C	.	.			trans	-68.3	146.6	-177.3	64.7	0	0	0	0	112.4	D864 E865 R866	S862-D864 PolarHBondContact O-N 3.1Å; S862-E865 PolarHBondContact O-N 3.01Å; S862-E865 VanDerWaalsContact O-N 3.14Å; S862-E865 WeakPolarHBondContact OG-CB 3.43Å; S862-E865 PolarHBondContact OG-N 3.18Å; S862-R866 PolarHBondContact O-N 3.03Å
863	T	92.4	Very high	90.1	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-55.3	-38.1	173.9	-63.9	0	0	0	0	111.7	D597 L610 E865 R866 A867	D597-T863 WeakPolarHBondContact OD1-CB 3.39Å; D597-T863 PolarHBondContact OD1-OG1 2.9Å; L610-T863 HydrophobicContact CB-CG2 3.88Å; L610-T863 WeakPolarHBondContact O-CG2 3.16Å; T863-E865 PolarHBondContact O-N 3.06Å; T863-R866 PolarHBondContact O-N 3.41Å; T863-A867 WeakPolarHBondContact O-CB 3.35Å; T863-A867 PolarHBondContact O-N 3.44Å
864	D	95.7	Very high	90.3	Very high	11 Å²	11	25.7 Å²	25.7	6%	0.059	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-38.3	177.5	-73.7	-27	0	0	0	113.5	Y641 V642 D643 V644 S862 Y868	Y641-D864 WeakPolarHBondContact CA-OD2 3.38Å; Y641-D864 WeakPolarHBondContact CD2-OD2 3.46Å; V642-D864 PolarHBondContact N-OD2 3.37Å; D643-D864 WeakPolarHBondContact CA-OD1 3.22Å; D643-D864 PolarHBondContact N-OD1 2.77Å; V644-D864 HydrophobicContact CB-CB 4.29Å; V644-D864 HydrophobicContact CG2-CB 3.7Å; V644-D864 PolarHBondContact N-OD1 3.17Å; S862-D864 PolarHBondContact O-N 3.1Å; D864-Y868 WeakPolarHBondContact O-CB 3.46Å; D864-Y868 PolarHBondContact O-N 3.08Å
865	E	94.9	Very high	90.5	Very high	26 Å²	26	26.4 Å²	26.4	12%	0.121	13%	0.132	C	C	.	.	H	α-helix	trans	-72.7	-37.4	177.6	-170.9	53.9	-137.5	0	0	111.4	K660 N662 I861 S862 T863 Y868 Q869	K660-E865 WeakPolarHBondContact CE-OE2 3.48Å; K660-E865 IonicContact NZ-OE2 3.73Å; K660-E865 PolarHBondContact NZ-OE2 3.45Å; N662-E865 PolarHBondContact ND2-OE2 2.82Å; I861-E865 HydrophobicContact CG2-CB 4.3Å; S862-E865 PolarHBondContact O-N 3.01Å; S862-E865 VanDerWaalsContact O-N 3.14Å; S862-E865 WeakPolarHBondContact OG-CB 3.43Å; S862-E865 PolarHBondContact OG-N 3.18Å; T863-E865 PolarHBondContact O-N 3.06Å; E865-Y868 PolarHBondContact O-N 3.31Å; E865-Q869 PolarHBondContact O-N 2.7Å; E865-Q869 WeakPolarHBondContact OE1-CG 3.21Å; E865-Q869 PolarHBondContact OE1-NE2 2.87Å
866	R	95.3	Very high	90.7	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-44.5	172.3	-58.4	-161.7	-60.9	162.1	5	111.7	E607 F611 C853 V854 L856 I861 S862 T863 Y868 R870	E607-R866 IonicContact OE1-CZ 2.77Å; E607-R866 IonicContact OE1-NH1 2.74Å; E607-R866 PolarHBondContact OE1-NH1 3.03Å; E607-R866 IonicContact OE1-NH2 2.7Å; E607-R866 PolarHBondContact OE1-NH2 3.02Å; F611-R866 HydrophobicContact CE1-CB 3.83Å; F611-R866 HydrophobicContact CZ-CB 3.92Å; C853-R866 HydrophobicContact CB-CG 4.36Å; C853-R866 WeakPolarHBondContact O-CD 3.49Å; V854-R866 WeakPolarHBondContact CG2-O 3.37Å; L856-R866 PolarHBondContact O-NH1 2.8Å; I861-R866 HydrophobicContact CG2-CG 4.02Å; S862-R866 PolarHBondContact O-N 3.03Å; T863-R866 PolarHBondContact O-N 3.41Å; R866-Y868 VanDerWaalsContact C-N 3.34Å; R866-Y868 PolarHBondContact O-N 2.97Å; R866-R870 VanDerWaalsContact O-CB 3.28Å; R866-R870 WeakPolarHBondContact O-CB 3.15Å; R866-R870 PolarHBondContact O-N 3.15Å
867	A	97.3	Very high	91.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-41.2	177.2	0	0	0	0	0	111.7	V644 A645 T863 R870 Q871	V644-A867 HydrophobicContact CB-CB 4Å; V644-A867 HydrophobicContact CG1-CB 3.95Å; A645-A867 HydrophobicContact CB-CB 4.23Å; T863-A867 WeakPolarHBondContact O-CB 3.35Å; T863-A867 PolarHBondContact O-N 3.44Å; A867-R870 PolarHBondContact O-N 2.9Å; A867-Q871 WeakPolarHBondContact O-CB 3.02Å; A867-Q871 PolarHBondContact O-N 3.45Å
868	Y	98.5	Very high	92.6	Very high	23 Å²	23	26 Å²	26	9%	0.09	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-55.8	175.3	-177.9	-121.2	0	0	0	112.2	L658 K660 D864 E865 R866 R870 Q871 L872	L658-Y868 HydrophobicContact CD2-CD2 3.82Å; L658-Y868 HydrophobicContact CD2-CE2 4.31Å; L658-Y868 HydrophobicContact CG-CD2 4.08Å; L658-Y868 HydrophobicContact CG-CE2 4.05Å; K660-Y868 HydrophobicContact CB-CD2 3.8Å; K660-Y868 HydrophobicContact CB-CE1 4.18Å; K660-Y868 HydrophobicContact CB-CE2 3.43Å; K660-Y868 VanDerWaalsContact CB-CE2 3.43Å; K660-Y868 HydrophobicContact CB-CG 4.32Å; K660-Y868 HydrophobicContact CD-CD1 4.47Å; K660-Y868 HydrophobicContact CD-CD2 4.04Å; K660-Y868 HydrophobicContact CD-CG 3.99Å; K660-Y868 PolarHBondContact N-OH 3.44Å; D864-Y868 WeakPolarHBondContact O-CB 3.46Å; D864-Y868 PolarHBondContact O-N 3.08Å; E865-Y868 PolarHBondContact O-N 3.31Å; R866-Y868 VanDerWaalsContact C-N 3.34Å; R866-Y868 PolarHBondContact O-N 2.97Å; Y868-R870 VanDerWaalsContact C-N 3.29Å; Y868-R870 PolarHBondContact O-N 2.76Å; Y868-Q871 PolarHBondContact O-N 3.16Å; Y868-Q871 VanDerWaalsContact O-N 3.1Å; Y868-L872 HydrophobicContact CD1-CD1 3.98Å; Y868-L872 HydrophobicContact CD2-CD1 4.48Å; Y868-L872 HydrophobicContact CD2-CG 4.37Å; Y868-L872 HydrophobicContact CE1-CD1 3.63Å; Y868-L872 HydrophobicContact CE1-CG 4.48Å; Y868-L872 HydrophobicContact CE2-CD1 4.14Å; Y868-L872 HydrophobicContact CE2-CD2 4.18Å; Y868-L872 HydrophobicContact CE2-CG 4.17Å; Y868-L872 HydrophobicContact CG-CD1 4.42Å; Y868-L872 WeakPolarHBondContact O-CG 3.35Å; Y868-L872 PolarHBondContact O-N 2.83Å
869	Q	98.3	Very high	93.9	Very high	24 Å²	24	22.1 Å²	22.1	11%	0.112	12%	0.122	C	C	.	.	H	α-helix	trans	-62.8	-35.8	179.5	-69.2	-173.9	30.5	0	0	112.5	N852 C853 V854 E865 Q871 L872 V873 F884	N852-Q869 PolarHBondContact ND2-OE1 3Å; C853-Q869 VanDerWaalsContact SG-CD 3.54Å; C853-Q869 PolarHBondContact SG-OE1 2.81Å; V854-Q869 HydrophobicContact CG2-CB 4.01Å; E865-Q869 PolarHBondContact O-N 2.7Å; E865-Q869 WeakPolarHBondContact OE1-CG 3.21Å; E865-Q869 PolarHBondContact OE1-NE2 2.87Å; Q869-Q871 PolarHBondContact O-N 3.33Å; Q869-L872 PolarHBondContact O-N 2.89Å; Q869-V873 WeakPolarHBondContact O-CG2 3.41Å; Q869-V873 PolarHBondContact O-N 3.01Å; Q869-F884 HydrophobicContact CB-CZ 4.25Å; Q869-F884 HydrophobicContact CG-CZ 4.28Å
870	R	98.5	Very high	95.6	Very high	19 Å²	19	20.6 Å²	20.6	7%	0.072	11%	0.111	C	C	.	.	H	α-helix	trans	-58	-48.2	172.4	-171.5	-159.5	131.3	-83.9	-5.1	111.2	F794 V854 R866 A867 Y868 M874	F794-R870 HydrophobicContact CB-CG 3.86Å; F794-R870 HydrophobicContact CD2-CB 4.29Å; F794-R870 HydrophobicContact CD2-CG 4.02Å; F794-R870 HydrophobicContact CG-CG 4.1Å; F794-R870 PolarHBondContact O-NE 2.81Å; F794-R870 VanDerWaalsContact O-NE 3.1Å; V854-R870 HydrophobicContact CG1-CB 4Å; V854-R870 HydrophobicContact CG1-CG 4.09Å; V854-R870 HydrophobicContact CG2-CB 4.03Å; R866-R870 VanDerWaalsContact O-CB 3.28Å; R866-R870 WeakPolarHBondContact O-CB 3.15Å; R866-R870 PolarHBondContact O-N 3.15Å; A867-R870 PolarHBondContact O-N 2.9Å; Y868-R870 VanDerWaalsContact C-N 3.29Å; Y868-R870 PolarHBondContact O-N 2.76Å; R870-M874 WeakPolarHBondContact O-CG 3.44Å; R870-M874 PolarHBondContact O-N 2.85Å
871	Q	98.4	Very high	96.6	Very high	13 Å²	13	15.2 Å²	15.2	6%	0.061	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-43.1	-179.4	176.5	168.6	-9.7	0	0	112.6	G648 Q652 A867 Y868 Q869 M874	G648-Q871 VanDerWaalsContact CA-OE1 3.31Å; G648-Q871 PolarHBondContact O-NE2 2.82Å; G648-Q871 PolarHBondContact O-OE1 2.85Å; Q652-Q871 HydrophobicContact CB-CG 4.16Å; Q652-Q871 HydrophobicContact CG-CG 4.24Å; A867-Q871 WeakPolarHBondContact O-CB 3.02Å; A867-Q871 PolarHBondContact O-N 3.45Å; Y868-Q871 PolarHBondContact O-N 3.16Å; Y868-Q871 VanDerWaalsContact O-N 3.1Å; Q869-Q871 PolarHBondContact O-N 3.33Å; Q871-M874 PolarHBondContact O-N 3Å
872	L	98.5	Very high	97.3	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-56.8	-52.9	178.2	-72.1	-179.8	0	0	0	111.6	Y868 Q869 M874 T875 M876 L925 Y983	Y868-L872 HydrophobicContact CD1-CD1 3.98Å; Y868-L872 HydrophobicContact CD2-CD1 4.48Å; Y868-L872 HydrophobicContact CD2-CG 4.37Å; Y868-L872 HydrophobicContact CE1-CD1 3.63Å; Y868-L872 HydrophobicContact CE1-CG 4.48Å; Y868-L872 HydrophobicContact CE2-CD1 4.14Å; Y868-L872 HydrophobicContact CE2-CD2 4.18Å; Y868-L872 HydrophobicContact CE2-CG 4.17Å; Y868-L872 HydrophobicContact CG-CD1 4.42Å; Y868-L872 WeakPolarHBondContact O-CG 3.35Å; Y868-L872 PolarHBondContact O-N 2.83Å; Q869-L872 PolarHBondContact O-N 2.89Å; L872-M874 VanDerWaalsContact C-N 3.26Å; L872-M874 PolarHBondContact O-N 3.3Å; L872-T875 PolarHBondContact O-N 2.84Å; L872-T875 PolarHBondContact O-OG1 2.63Å; L872-M876 HydrophobicContact CB-CE 4.4Å; L872-M876 PolarHBondContact O-N 3.44Å; L872-L925 HydrophobicContact CD1-CD1 3.47Å; L872-L925 VanDerWaalsContact CD1-CD1 3.47Å; L872-L925 HydrophobicContact CD1-CD2 3.88Å; L872-L925 HydrophobicContact CD1-CG 4.34Å; L872-Y983 HydrophobicContact CD2-CE1 4.01Å; L872-Y983 HydrophobicContact CD2-CE2 4.03Å; L872-Y983 WeakPolarHBondContact CD2-OH 3.4Å
873	V	98.8	Very high	97.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.065	C	C	.	.	H	α-helix	trans	-61.3	-31.9	-176.8	169.8	0	0	0	0	112.5	A790 K791 F794 Q869 T875 M876 F884 F885	A790-V873 HydrophobicContact CB-CG1 3.95Å; K791-V873 WeakPolarHBondContact CE-O 3.31Å; K791-V873 HydrophobicContact CG-CG1 4.49Å; F794-V873 HydrophobicContact CD2-CB 3.75Å; F794-V873 HydrophobicContact CD2-CG1 3.79Å; F794-V873 HydrophobicContact CD2-CG2 4.43Å; F794-V873 HydrophobicContact CE2-CB 3.6Å; F794-V873 HydrophobicContact CE2-CG1 3.75Å; F794-V873 HydrophobicContact CE2-CG2 3.77Å; Q869-V873 WeakPolarHBondContact O-CG2 3.41Å; Q869-V873 PolarHBondContact O-N 3.01Å; V873-T875 PolarHBondContact O-N 2.83Å; V873-M876 HydrophobicContact CB-SD 4.41Å; V873-M876 HydrophobicContact CG2-CE 4.26Å; V873-M876 HydrophobicContact CG2-SD 3.92Å; V873-M876 PolarHBondContact O-N 2.86Å; V873-M876 VanDerWaalsContact O-N 3.17Å; V873-F884 HydrophobicContact CG2-CD1 3.67Å; V873-F884 HydrophobicContact CG2-CE1 3.41Å; V873-F884 VanDerWaalsContact CG2-CE1 3.41Å; V873-F884 HydrophobicContact CG2-CG 4.42Å; V873-F884 HydrophobicContact CG2-CZ 3.97Å; V873-F885 HydrophobicContact CG1-CE2 4.2Å; V873-F885 HydrophobicContact CG1-CZ 4.09Å; V873-F885 HydrophobicContact CG2-CZ 4.19Å
874	M	98.6	Very high	98	Very high	8 Å²	8	12.4 Å²	12.4	4%	0.039	7%	0.066	C	C	.	.	H	α-helix	trans	-58.2	-31.3	174.1	-70.9	-62.9	-60.2	0	0	112.9	F705 G706 K791 F794 R870 Q871 L872	F705-M874 HydrophobicContact CB-CE 3.85Å; F705-M874 HydrophobicContact CD1-CE 4.49Å; G706-M874 WeakPolarHBondContact CA-O 3.49Å; K791-M874 HydrophobicContact CB-SD 3.96Å; K791-M874 WeakPolarHBondContact CD-O 3.28Å; K791-M874 WeakPolarHBondContact CE-O 3.46Å; K791-M874 HydrophobicContact CG-SD 4.23Å; K791-M874 PolarHBondContact NZ-O 3.18Å; K791-M874 VanDerWaalsContact NZ-O 3.15Å; F794-M874 HydrophobicContact CB-SD 4.21Å; R870-M874 WeakPolarHBondContact O-CG 3.44Å; R870-M874 PolarHBondContact O-N 2.85Å; Q871-M874 PolarHBondContact O-N 3Å; L872-M874 VanDerWaalsContact C-N 3.26Å; L872-M874 PolarHBondContact O-N 3.3Å
875	T	98.2	Very high	98.2	Very high	15 Å²	15	12.2 Å²	12.2	9%	0.092	7%	0.065	C	C	.	.	H	α-helix	trans	-89.2	-12.5	179.4	68.5	0	0	0	0	114.7	K725 A726 L872 V873	K725-T875 HydrophobicContact CD-CG2 4.36Å; A726-T875 PolarHBondContact N-O 2.94Å; L872-T875 PolarHBondContact O-N 2.84Å; L872-T875 PolarHBondContact O-OG1 2.63Å; V873-T875 PolarHBondContact O-N 2.83Å
876	M	98.8	Very high	98.3	Very high	15 Å²	15	11.2 Å²	11.2	7%	0.074	6%	0.06	C	C	.	.			trans	-69.7	139.5	-170.5	-77	-177.9	179.6	0	0	114.3	N787 K791 L872 V873 D880 F884	N787-M876 PolarHBondContact ND2-O 3.43Å; K791-M876 WeakPolarHBondContact CE-O 3.41Å; K791-M876 PolarHBondContact NZ-O 2.89Å; L872-M876 HydrophobicContact CB-CE 4.4Å; L872-M876 PolarHBondContact O-N 3.44Å; V873-M876 HydrophobicContact CB-SD 4.41Å; V873-M876 HydrophobicContact CG2-CE 4.26Å; V873-M876 HydrophobicContact CG2-SD 3.92Å; V873-M876 PolarHBondContact O-N 2.86Å; V873-M876 VanDerWaalsContact O-N 3.17Å; M876-D880 HydrophobicContact CB-CB 3.95Å; M876-D880 HydrophobicContact CG-CB 3.86Å; M876-D880 HydrophobicContact SD-CB 4.3Å; M876-F884 HydrophobicContact CE-CB 3.92Å; M876-F884 HydrophobicContact CE-CD2 3.85Å; M876-F884 HydrophobicContact CE-CG 3.83Å; M876-F884 HydrophobicContact SD-CB 3.93Å; M876-F884 HydrophobicContact SD-CD1 4.48Å; M876-F884 HydrophobicContact SD-CG 4.14Å
877	G	98.7	Very high	98.5	Very high	2 Å²	2	11.1 Å²	11.1	2%	0.021	6%	0.06	C	C	.	.			trans	-79.8	173	162.1	0	0	0	0	0	112.1	N787 A879 D880 S881	N787-G877 PolarHBondContact ND2-O 3.31Å; G877-A879 VanDerWaalsContact C-N 3.34Å; G877-A879 PolarHBondContact O-N 2.82Å; G877-D880 PolarHBondContact N-OD2 2.85Å; G877-D880 WeakPolarHBondContact O-CB 3.48Å; G877-D880 PolarHBondContact O-N 2.86Å; G877-S881 PolarHBondContact O-N 2.88Å; G877-S881 PolarHBondContact O-OG 3.3Å; G877-S881 VanDerWaalsContact O-OG 3.12Å
878	V	98.8	Very high	98.5	Very high	8 Å²	8	12.9 Å²	12.9	5%	0.048	7%	0.068	C	C	.	.	H	α-helix	trans	-57.2	-45.8	-175.9	-175.8	0	0	0	0	112	V295 R313 V336 D783 A784 D880 S881 Q882	V295-V878 HydrophobicContact CB-CG1 4.47Å; V295-V878 HydrophobicContact CG1-CB 3.8Å; V295-V878 HydrophobicContact CG1-CG1 3.57Å; V295-V878 HydrophobicContact CG2-CG1 4.09Å; R313-V878 HydrophobicContact CB-CG2 4.09Å; V336-V878 HydrophobicContact CB-CG2 3.58Å; V336-V878 HydrophobicContact CG1-CG2 3.67Å; V336-V878 HydrophobicContact CG2-CG2 3.76Å; D783-V878 HydrophobicContact CB-CG1 3.36Å; A784-V878 HydrophobicContact CB-CG2 4.4Å; V878-D880 PolarHBondContact O-N 2.9Å; V878-S881 WeakPolarHBondContact CA-OG 3.46Å; V878-S881 PolarHBondContact O-N 2.92Å; V878-S881 PolarHBondContact O-OG 3.01Å; V878-Q882 WeakPolarHBondContact O-CB 3.47Å; V878-Q882 PolarHBondContact O-N 2.98Å
879	A	98.3	Very high	98.5	Very high	35 Å²	35	11.8 Å²	11.8	29%	0.289	6%	0.064	S	C	.	.	H	α-helix	trans	-63.3	-21.6	178.3	0	0	0	0	0	114.2	V295 G877 R981	V295-A879 HydrophobicContact CB-CB 3.92Å; V295-A879 HydrophobicContact CG1-CB 4.24Å; V295-A879 HydrophobicContact CG2-CB 4.46Å; G877-A879 VanDerWaalsContact C-N 3.34Å; G877-A879 PolarHBondContact O-N 2.82Å; A879-R981 PolarHBondContact O-NH1 2.72Å; A879-R981 PolarHBondContact O-NH2 3.49Å
880	D	98.4	Very high	98.4	Very high	20 Å²	20	10.7 Å²	10.7	11%	0.107	6%	0.058	C	C	.	.	H	α-helix	trans	-91.4	-45.1	-178.7	-51.3	-57.1	0	0	0	110.1	K338 M876 G877 V878 Q882 L883 F884 R981	K338-D880 IonicContact NZ-OD2 2.72Å; K338-D880 PolarHBondContact NZ-OD2 3.5Å; M876-D880 HydrophobicContact CB-CB 3.95Å; M876-D880 HydrophobicContact CG-CB 3.86Å; M876-D880 HydrophobicContact SD-CB 4.3Å; G877-D880 PolarHBondContact N-OD2 2.85Å; G877-D880 WeakPolarHBondContact O-CB 3.48Å; G877-D880 PolarHBondContact O-N 2.86Å; V878-D880 PolarHBondContact O-N 2.9Å; D880-Q882 VanDerWaalsContact C-N 3.31Å; D880-Q882 PolarHBondContact O-N 3.09Å; D880-L883 PolarHBondContact O-N 3.14Å; D880-F884 WeakPolarHBondContact O-CB 3.1Å; D880-F884 PolarHBondContact O-N 2.96Å; D880-R981 IonicContact OD1-NH1 2.77Å; D880-R981 PolarHBondContact OD1-NH1 3.1Å; D880-R981 VanDerWaalsContact OD1-NH1 3.13Å
881	S	98.7	Very high	98.3	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-63.4	-34.5	173.9	48.7	0	0	0	0	113.1	N787 G877 V878 F884 F885	N787-S881 PolarHBondContact ND2-OG 3.4Å; G877-S881 PolarHBondContact O-N 2.88Å; G877-S881 PolarHBondContact O-OG 3.3Å; G877-S881 VanDerWaalsContact O-OG 3.12Å; V878-S881 WeakPolarHBondContact CA-OG 3.46Å; V878-S881 PolarHBondContact O-N 2.92Å; V878-S881 PolarHBondContact O-OG 3.01Å; S881-F884 PolarHBondContact O-N 2.61Å; S881-F885 VanDerWaalsContact O-CD2 3.24Å; S881-F885 WeakPolarHBondContact O-CD2 3.5Å; S881-F885 PolarHBondContact O-N 3.39Å; S881-F885 VanDerWaalsContact O-N 3.08Å
882	Q	98.6	Very high	98.1	Very high	17 Å²	17	10.3 Å²	10.3	8%	0.079	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-53.2	177.2	-175.5	-73.2	-52.7	0	0	110.6	V295 T296 D783 V878 D880 Y886	V295-Q882 HydrophobicContact CG2-CB 4Å; V295-Q882 HydrophobicContact CG2-CG 4.13Å; T296-Q882 HydrophobicContact CG2-CG 4.11Å; D783-Q882 WeakPolarHBondContact OD1-CG 3.49Å; V878-Q882 WeakPolarHBondContact O-CB 3.47Å; V878-Q882 PolarHBondContact O-N 2.98Å; D880-Q882 VanDerWaalsContact C-N 3.31Å; D880-Q882 PolarHBondContact O-N 3.09Å; Q882-Y886 PolarHBondContact O-N 3.04Å
883	L	98.5	Very high	97.8	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-69.1	-33.7	-179.8	-175.2	66.6	0	0	0	112.7	D880 Y886 P887 Q888 A922 R981	D880-L883 PolarHBondContact O-N 3.14Å; L883-Y886 CarbonylContact O-C 3.57Å; L883-P887 WeakPolarHBondContact O-CA 3.01Å; L883-Q888 HydrophobicContact CD1-CB 3.67Å; L883-A922 WeakPolarHBondContact CD1-O 3.5Å; L883-R981 VanDerWaalsContact CD2-NE 3.34Å
884	F	98.7	Very high	97.3	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.048	10%	0.099	C	C	.	.	H	α-helix	trans	-66.5	-42.8	179.2	177.5	-98.4	0	0	0	112.6	Q869 V873 M876 D880 S881 L925	Q869-F884 HydrophobicContact CB-CZ 4.25Å; Q869-F884 HydrophobicContact CG-CZ 4.28Å; V873-F884 HydrophobicContact CG2-CD1 3.67Å; V873-F884 HydrophobicContact CG2-CE1 3.41Å; V873-F884 VanDerWaalsContact CG2-CE1 3.41Å; V873-F884 HydrophobicContact CG2-CG 4.42Å; V873-F884 HydrophobicContact CG2-CZ 3.97Å; M876-F884 HydrophobicContact CE-CB 3.92Å; M876-F884 HydrophobicContact CE-CD2 3.85Å; M876-F884 HydrophobicContact CE-CG 3.83Å; M876-F884 HydrophobicContact SD-CB 3.93Å; M876-F884 HydrophobicContact SD-CD1 4.48Å; M876-F884 HydrophobicContact SD-CG 4.14Å; D880-F884 WeakPolarHBondContact O-CB 3.1Å; D880-F884 PolarHBondContact O-N 2.96Å; S881-F884 PolarHBondContact O-N 2.61Å; F884-L925 HydrophobicContact CD2-CD1 3.91Å; F884-L925 HydrophobicContact CE2-CD1 3.69Å
885	F	98.5	Very high	96.7	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.031	10%	0.103	C	C	.	.	H	α-helix	trans	-85.7	-28.9	179.6	-70.4	-63.1	0	0	0	113.8	I786 A790 F794 C848 L849 N852 V873 S881	I786-F885 HydrophobicContact CG2-CD2 4Å; A790-F885 HydrophobicContact CB-CE2 3.45Å; A790-F885 VanDerWaalsContact CB-CE2 3.45Å; A790-F885 HydrophobicContact CB-CZ 3.56Å; F794-F885 HydrophobicContact CZ-CE1 4.49Å; F794-F885 HydrophobicContact CZ-CZ 4.25Å; C848-F885 HydrophobicContact CB-CB 4.4Å; C848-F885 VanDerWaalsContact CB-O 3.25Å; C848-F885 WeakPolarHBondContact CB-O 3.27Å; L849-F885 HydrophobicContact CB-CD1 4.47Å; L849-F885 HydrophobicContact CB-CE1 4.41Å; L849-F885 HydrophobicContact CD1-CE1 3.7Å; L849-F885 HydrophobicContact CD1-CZ 3.76Å; N852-F885 HydrophobicContact CB-CE1 4.08Å; V873-F885 HydrophobicContact CG1-CE2 4.2Å; V873-F885 HydrophobicContact CG1-CZ 4.09Å; V873-F885 HydrophobicContact CG2-CZ 4.19Å; S881-F885 VanDerWaalsContact O-CD2 3.24Å; S881-F885 WeakPolarHBondContact O-CD2 3.5Å; S881-F885 PolarHBondContact O-N 3.39Å; S881-F885 VanDerWaalsContact O-N 3.08Å
886	Y	98.4	Very high	96.1	Very high	4 Å²	4	22 Å²	22	2%	0.016	12%	0.123	C	C	.	.	S	Bend	trans	-127.7	95.3	171.4	-165.2	-85.9	0	0	0	110	P267 I268 V844 Y845 Q882 L883 R907 C908 V1005 E1006	P267-Y886 HydrophobicContact CB-CD1 4.21Å; P267-Y886 HydrophobicContact CB-CD2 4.43Å; P267-Y886 HydrophobicContact CB-CE1 3.84Å; P267-Y886 HydrophobicContact CB-CE2 4.07Å; P267-Y886 HydrophobicContact CB-CG 4.49Å; P267-Y886 HydrophobicContact CG-CD2 4.14Å; P267-Y886 HydrophobicContact CG-CE1 4.34Å; P267-Y886 HydrophobicContact CG-CE2 3.65Å; I268-Y886 HydrophobicContact CD1-CE1 3.88Å; V844-Y886 HydrophobicContact CG2-CD2 4.45Å; V844-Y886 HydrophobicContact CG2-CE2 4.29Å; Y845-Y886 HydrophobicContact CD1-CD2 4.09Å; Y845-Y886 HydrophobicContact CD1-CG 4.24Å; Y845-Y886 VanDerWaalsContact CE1-CB 3.47Å; Y845-Y886 HydrophobicContact CE1-CD1 4.36Å; Y845-Y886 AromaticContact CE1-CD2 3.75Å; Y845-Y886 HydrophobicContact CE1-CD2 3.75Å; Y845-Y886 AromaticContact CE1-CG 3.59Å; Y845-Y886 HydrophobicContact CE1-CG 3.59Å; Q882-Y886 PolarHBondContact O-N 3.04Å; L883-Y886 CarbonylContact O-C 3.57Å; Y886-R907 WeakPolarHBondContact OH-CA 3.28Å; Y886-C908 HydrophobicContact CE2-CB 4.31Å; Y886-C908 PolarHBondContact OH-N 3.47Å; Y886-V1005 HydrophobicContact CD2-CG2 3.59Å; Y886-V1005 HydrophobicContact CE2-CG2 3.94Å; Y886-V1005 HydrophobicContact CG-CG2 4.33Å; Y886-E1006 HydrophobicContact CE2-CG 3.92Å; Y886-E1006 WeakPolarHBondContact CE2-OE1 3.39Å; Y886-E1006 PolarHBondContact OH-OE1 3.46Å
887	P	98.3	Very high	95.3	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.013	13%	0.131	C	C	.	.			trans	-58.3	159	-178.6	-26.5	36.2	0	0	0	113.7	L883 C908 L921 A922 N923 F1003 V1005	L883-P887 WeakPolarHBondContact O-CA 3.01Å; P887-C908 PolarHBondContact O-SG 3.08Å; P887-L921 HydrophobicContact CB-CD1 4.39Å; P887-L921 HydrophobicContact CB-CD2 3.78Å; P887-L921 HydrophobicContact CB-CG 4.01Å; P887-L921 HydrophobicContact CG-CD2 4.36Å; P887-A922 WeakPolarHBondContact CA-O 3.35Å; P887-A922 WeakPolarHBondContact CB-O 3.5Å; P887-N923 HydrophobicContact CB-CB 4.19Å; P887-N923 HydrophobicContact CG-CB 3.99Å; P887-F1003 HydrophobicContact CG-CB 4.24Å; P887-F1003 HydrophobicContact CG-CD1 4.43Å; P887-V1005 HydrophobicContact CG-CG1 4.47Å
888	Q	97.7	Very high	94.4	Very high	38 Å²	38	32.5 Å²	32.5	18%	0.178	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	113.2	171.6	-174.5	176.2	8.8	0	0	109	L883 L890 L921 A922	L883-Q888 HydrophobicContact CD1-CB 3.67Å; Q888-L890 HydrophobicContact CG-CD2 3.89Å; Q888-L890 HydrophobicContact CG-CG 4.1Å; Q888-L921 CarbonylContact O-C 3.49Å; Q888-L921 WeakPolarHBondContact O-CA 3.39Å; Q888-A922 PolarHBondContact N-O 2.97Å; Q888-A922 PolarHBondContact O-N 3.31Å
889	L	98.1	Very high	93.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124	173.5	-180	63.4	0	0	0	109.4	A905 V906 L913 F919 L920 L921 L1004	L889-A905 WeakPolarHBondContact O-CA 3.26Å; L889-V906 HydrophobicContact CB-CG2 4.11Å; L889-V906 HydrophobicContact CD2-CG2 3.77Å; L889-V906 HydrophobicContact CG-CG2 3.61Å; L889-V906 PolarHBondContact O-N 3.12Å; L889-L913 HydrophobicContact CD2-CD2 4.28Å; L889-F919 HydrophobicContact CD1-CB 3.91Å; L889-F919 HydrophobicContact CD1-CD1 4.19Å; L889-F919 HydrophobicContact CD1-CG 4.42Å; L889-F919 HydrophobicContact CG-CD1 4.38Å; L889-L920 WeakPolarHBondContact CA-O 3.47Å; L889-L921 HydrophobicContact CD1-CB 3.88Å; L889-L921 HydrophobicContact CD1-CD1 4.22Å; L889-L921 HydrophobicContact CD1-CG 4.44Å; L889-L1004 HydrophobicContact CD2-CD2 4.25Å
890	L	97	Very high	92.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.7	-175.7	-62.1	-175.2	0	0	0	111.4	Q888 I892 P903 A905 F919 L920 I973 I977	Q888-L890 HydrophobicContact CG-CD2 3.89Å; Q888-L890 HydrophobicContact CG-CG 4.1Å; L890-I892 HydrophobicContact CB-CD1 4.33Å; L890-P903 HydrophobicContact CB-CG 4.11Å; L890-P903 HydrophobicContact CD1-CG 4.14Å; L890-P903 HydrophobicContact CD2-CG 4.33Å; L890-P903 WeakPolarHBondContact CD2-O 3.38Å; L890-P903 HydrophobicContact CG-CG 4.42Å; L890-A905 HydrophobicContact CD2-CB 4.09Å; L890-F919 CarbonylContact O-C 3.48Å; L890-F919 VanDerWaalsContact O-CA 3.27Å; L890-F919 WeakPolarHBondContact O-CA 3.11Å; L890-L920 HydrophobicContact CB-CB 4.46Å; L890-L920 PolarHBondContact N-O 3.36Å; L890-L920 PolarHBondContact O-N 3.08Å; L890-I973 HydrophobicContact CD1-CG2 3.99Å; L890-I977 HydrophobicContact CD1-CD1 3.87Å
891	P	96.4	Very high	91.3	Very high	16 Å²	16	43.1 Å²	43.1	10%	0.104	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123.8	169.8	32.3	-31.3	0	0	0	110.4	A904 V906 F919	P891-A904 VanDerWaalsContact CD-O 3.27Å; P891-A904 WeakPolarHBondContact CD-O 3.34Å; P891-V906 HydrophobicContact CG-CG1 4.45Å; P891-F919 HydrophobicContact CB-CD1 4.19Å; P891-F919 HydrophobicContact CB-CE1 4Å
892	I	94.1	Very high	90.7	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	24%	0.243	C	C	.	.	S	Bend	trans	-100.4	-23.1	-179.8	-55	-56.1	0	0	0	111.6	L890 L895 I918 L920 L970	L890-I892 HydrophobicContact CB-CD1 4.33Å; I892-L895 HydrophobicContact CD1-CD1 4.43Å; I892-L895 HydrophobicContact CG2-CD1 4.33Å; I892-L895 WeakPolarHBondContact O-CB 3.47Å; I892-L895 PolarHBondContact O-N 3.26Å; I892-I918 HydrophobicContact CB-CB 4.27Å; I892-I918 HydrophobicContact CB-CG2 3.99Å; I892-I918 HydrophobicContact CG2-CG2 4.22Å; I892-I918 PolarHBondContact N-O 3.36Å; I892-L920 HydrophobicContact CD1-CB 3.88Å; I892-L920 HydrophobicContact CG1-CB 3.85Å; I892-L970 HydrophobicContact CD1-CD1 4.03Å; I892-L970 HydrophobicContact CG1-CD1 4.2Å; I892-L970 HydrophobicContact CG2-CD1 4.1Å
893	H	91.6	Very high	90.3	Very high	57 Å²	57	46.7 Å²	46.7	26%	0.264	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-24.3	178	59.2	-71.7	0	0	0	114.1	I918 F919 L939	H893-I918 HydrophobicContact CB-CB 4.39Å; H893-I918 PolarHBondContact N-O 3.4Å; H893-I918 PolarHBondContact ND1-N 2.94Å; H893-I918 PolarHBondContact ND1-O 3.41Å; H893-F919 AromaticContact CE1-CE1 3.86Å; H893-F919 AromaticContact CE1-CE2 3.64Å; H893-F919 AromaticContact CE1-CZ 3.4Å; H893-F919 WeakPolarHBondContact CE1-CZ 3.47Å; H893-L939 HydrophobicContact CB-CD1 4.01Å
894	T	89.8	Confident	90	Very high	100 Å²	100	49.6 Å²	49.6	61%	0.613	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	22.2	175.6	60.4	0	0	0	0	112.9
895	L	85.7	Confident	89.9	Confident	23 Å²	23	49.9 Å²	49.9	12%	0.12	28%	0.277	C	S	.	.			trans	-81.2	130	-169.6	-175.7	156.5	0	0	0	111.6	I892 V897 Q969 I973	I892-L895 HydrophobicContact CD1-CD1 4.43Å; I892-L895 HydrophobicContact CG2-CD1 4.33Å; I892-L895 WeakPolarHBondContact O-CB 3.47Å; I892-L895 PolarHBondContact O-N 3.26Å; L895-V897 HydrophobicContact CD2-CG2 4.5Å; L895-V897 PolarHBondContact O-N 3.28Å; L895-Q969 HydrophobicContact CD1-CG 4.15Å; L895-Q969 HydrophobicContact CD2-CB 4.41Å; L895-Q969 HydrophobicContact CD2-CG 3.33Å; L895-Q969 HydrophobicContact CG-CG 4.33Å; L895-I973 HydrophobicContact CD1-CD1 3.38Å; L895-I973 HydrophobicContact CG-CD1 4.46Å
896	D	85.6	Confident	89.8	Confident	95 Å²	95	51.2 Å²	51.2	51%	0.508	29%	0.285	S	S	.	.			trans	-78.3	111.4	167.5	178.5	12.2	0	0	0	110.4	K898 S899	D896-K898 PolarHBondContact O-N 2.95Å; D896-K898 VanDerWaalsContact O-N 3.16Å; D896-K898 WeakPolarHBondContact OD1-CB 3.3Å; D896-K898 PolarHBondContact OD1-N 3.09Å; D896-S899 PolarHBondContact O-N 3.27Å; D896-S899 VanDerWaalsContact O-N 3.12Å
897	V	80.9	Confident	89.7	Confident	41 Å²	41	52 Å²	52	25%	0.248	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	179.9	-173.3	0	0	0	0	112.8	L895 P965 Y966	L895-V897 HydrophobicContact CD2-CG2 4.5Å; L895-V897 PolarHBondContact O-N 3.28Å; V897-P965 HydrophobicContact CG1-CB 3.61Å; V897-P965 HydrophobicContact CG1-CG 4.06Å; V897-Y966 HydrophobicContact CG2-CD1 3.64Å; V897-Y966 HydrophobicContact CG2-CE1 3.2Å; V897-Y966 HydrophobicContact CG2-CE2 4.4Å; V897-Y966 HydrophobicContact CG2-CG 4.4Å
898	K	79.4	Confident	89.7	Confident	195 Å²	195	51.9 Å²	51.9	85%	0.848	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-11.1	179.1	-62	177.5	-177.9	174.2	0	113.8	D896	D896-K898 PolarHBondContact O-N 2.95Å; D896-K898 VanDerWaalsContact O-N 3.16Å; D896-K898 WeakPolarHBondContact OD1-CB 3.3Å; D896-K898 PolarHBondContact OD1-N 3.09Å
899	S	80.9	Confident	89.6	Confident	39 Å²	39	50.5 Å²	50.5	27%	0.273	28%	0.282	S	S	.	.			trans	-85.1	131.1	-178.3	-179.3	0	0	0	0	111.2	D896 M901 Q969	D896-S899 PolarHBondContact O-N 3.27Å; D896-S899 VanDerWaalsContact O-N 3.12Å; S899-M901 VanDerWaalsContact C-N 3.28Å; S899-M901 PolarHBondContact OG-N 3.02Å; S899-Q969 PolarHBondContact O-NE2 3.49Å
900	T	71.8	Confident	89.5	Confident	109 Å²	109	55.1 Å²	55.1	67%	0.669	30%	0.304	S	S	*	.			trans	-83.9	-4	170.9	51.1	0	0	0	0	113.3
901	M	79.1	Confident	89.4	Confident	139 Å²	139	59.2 Å²	59.2	69%	0.685	33%	0.332	S	S	*	.	S	Bend	trans	-85.4	146.1	-178.6	-63.1	-64.6	-72.4	0	0	111.7	S899	S899-M901 VanDerWaalsContact C-N 3.28Å; S899-M901 PolarHBondContact OG-N 3.02Å
902	L	85.8	Confident	89.3	Confident	66 Å²	66	63.1 Å²	63.1	35%	0.346	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-58.6	139.7	167.7	-65.2	177.8	0	0	0	110.2	I973 I976	L902-I973 HydrophobicContact CD2-CB 4.29Å; L902-I973 HydrophobicContact CD2-CG1 4.08Å; L902-I973 HydrophobicContact CD2-CG2 3.95Å; L902-I976 HydrophobicContact CD1-CG2 3.99Å; L902-I976 HydrophobicContact CD2-CB 4.16Å; L902-I976 HydrophobicContact CD2-CD1 4.28Å; L902-I976 HydrophobicContact CD2-CG2 3.92Å; L902-I976 HydrophobicContact CG-CG2 4.14Å
903	P	90.1	Very high	89.4	Confident	27 Å²	27	64.5 Å²	64.5	18%	0.175	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.6	153.9	170.9	27.6	-34.6	0	0	0	110.9	L890 I973	L890-P903 HydrophobicContact CB-CG 4.11Å; L890-P903 HydrophobicContact CD1-CG 4.14Å; L890-P903 HydrophobicContact CD2-CG 4.33Å; L890-P903 WeakPolarHBondContact CD2-O 3.38Å; L890-P903 HydrophobicContact CG-CG 4.42Å; P903-I973 HydrophobicContact CG-CD1 4.35Å
904	A	92.4	Very high	89.6	Confident	65 Å²	65	64 Å²	64	54%	0.537	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-57.5	143.6	172.9	0	0	0	0	0	110.6	P891	P891-A904 VanDerWaalsContact CD-O 3.27Å; P891-A904 WeakPolarHBondContact CD-O 3.34Å
905	A	95.6	Very high	89.9	Confident	17 Å²	17	62.9 Å²	62.9	14%	0.14	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-80.6	154.6	179.9	0	0	0	0	0	110.7	I268 L889 L890	I268-A905 HydrophobicContact CD1-CB 3.81Å; I268-A905 HydrophobicContact CG2-CB 4.38Å; I268-A905 WeakPolarHBondContact CG2-O 3.29Å; L889-A905 WeakPolarHBondContact O-CA 3.26Å; L890-A905 HydrophobicContact CD2-CB 4.09Å
906	V	96.9	Very high	90.4	Very high	34 Å²	34	67.8 Å²	67.8	21%	0.206	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-117.8	159.8	172.7	-65.7	0	0	0	0	110.4	L889 P891 R912 F919	L889-V906 HydrophobicContact CB-CG2 4.11Å; L889-V906 HydrophobicContact CD2-CG2 3.77Å; L889-V906 HydrophobicContact CG-CG2 3.61Å; L889-V906 PolarHBondContact O-N 3.12Å; P891-V906 HydrophobicContact CG-CG1 4.45Å; V906-R912 HydrophobicContact CB-CB 4.42Å; V906-R912 HydrophobicContact CG2-CB 4.49Å; V906-F919 HydrophobicContact CG2-CD1 4.48Å; V906-F919 HydrophobicContact CG2-CE1 4.3Å
907	R	97.2	Very high	90.9	Very high	20 Å²	20	63.3 Å²	63.3	8%	0.075	34%	0.341	C	S	.	.			trans	-64	141.4	-178.8	-72.9	172.9	72.1	175.5	6.5	111.4	P261 D262 I268 Y886 S909 R912 E1006	P261-R907 PolarHBondContact O-NH1 3.38Å; P261-R907 PolarHBondContact O-NH2 3.29Å; D262-R907 IonicContact OD1-NH1 3.51Å; D262-R907 PolarHBondContact OD1-NH1 3.33Å; D262-R907 VanDerWaalsContact OD1-NH1 3.13Å; I268-R907 HydrophobicContact CG1-CG 4.07Å; Y886-R907 WeakPolarHBondContact OH-CA 3.28Å; R907-S909 PolarHBondContact O-N 2.7Å; R907-R912 HydrophobicContact CB-CG 4.27Å; R907-E1006 WeakPolarHBondContact CB-OE1 3.4Å; R907-E1006 IonicContact CZ-OE2 3.03Å; R907-E1006 VanDerWaalsContact CZ-OE2 3.29Å; R907-E1006 IonicContact NE-OE1 2.7Å; R907-E1006 PolarHBondContact NE-OE1 3.34Å; R907-E1006 IonicContact NE-OE2 3.69Å; R907-E1006 PolarHBondContact NE-OE2 3.13Å; R907-E1006 IonicContact NH2-OE2 2.62Å; R907-E1006 PolarHBondContact NH2-OE2 3.14Å
908	C	97.1	Very high	91.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-74.5	71.4	178.9	-77.2	0	0	0	0	112.3	Y886 P887 L1004 V1005 E1006	Y886-C908 HydrophobicContact CE2-CB 4.31Å; Y886-C908 PolarHBondContact OH-N 3.47Å; P887-C908 PolarHBondContact O-SG 3.08Å; C908-L1004 CarbonylContact O-C 3.59Å; C908-L1004 WeakPolarHBondContact O-CA 3.37Å; C908-V1005 HydrophobicContact CB-CG2 3.8Å; C908-V1005 PolarHBondContact O-N 2.88Å; C908-E1006 WeakPolarHBondContact O-CB 3.23Å; C908-E1006 PolarHBondContact O-N 3.5Å
909	S	96.3	Very high	92.5	Very high	10 Å²	10	52.3 Å²	52.3	7%	0.07	29%	0.29	C	S	.	.	S	Bend	trans	-144.8	144	176.8	173.1	0	0	0	0	110.9	R907 S911 R912 D1007	R907-S909 PolarHBondContact O-N 2.7Å; S909-S911 WeakPolarHBondContact CB-OG 3.44Å; S909-S911 PolarHBondContact O-N 3.09Å; S909-S911 VanDerWaalsContact O-N 3.15Å; S909-S911 WeakPolarHBondContact OG-CB 3.34Å; S909-S911 PolarHBondContact OG-N 3Å; S909-S911 PolarHBondContact OG-OG 3.45Å; S909-R912 PolarHBondContact O-N 3.46Å; S909-D1007 VanDerWaalsContact CA-OD2 3.23Å; S909-D1007 WeakPolarHBondContact CA-OD2 3.23Å; S909-D1007 VanDerWaalsContact CB-OD1 3.26Å; S909-D1007 WeakPolarHBondContact CB-OD1 3.46Å; S909-D1007 PolarHBondContact OG-OD1 2.73Å
910	E	95.4	Very high	93.3	Very high	97 Å²	97	50.5 Å²	50.5	45%	0.453	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-60.2	-21.9	173.5	66.9	-177.6	-162.1	0	0	112.6	R912 L913 R1001 L1004 D1007	E910-R912 PolarHBondContact O-N 3.36Å; E910-R912 VanDerWaalsContact O-N 3.09Å; E910-L913 HydrophobicContact CB-CD1 4.39Å; E910-L913 PolarHBondContact O-N 3.05Å; E910-L913 VanDerWaalsContact O-N 3.09Å; E910-R1001 IonicContact OE2-CZ 3.99Å; E910-R1001 IonicContact OE2-NH1 2.7Å; E910-R1001 PolarHBondContact OE2-NH1 3.32Å; E910-L1004 HydrophobicContact CB-CD1 3.89Å; E910-D1007 PolarHBondContact N-OD2 2.8Å
911	S	94.9	Very high	94.5	Very high	87 Å²	87	45.3 Å²	45.3	61%	0.608	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-62.6	-10.9	172	66.2	0	0	0	0	114.9	S909	S909-S911 WeakPolarHBondContact CB-OG 3.44Å; S909-S911 PolarHBondContact O-N 3.09Å; S909-S911 VanDerWaalsContact O-N 3.15Å; S909-S911 WeakPolarHBondContact OG-CB 3.34Å; S909-S911 PolarHBondContact OG-N 3Å; S909-S911 PolarHBondContact OG-OG 3.45Å
912	R	95.6	Very high	95.4	Very high	98 Å²	98	38.7 Å²	38.7	37%	0.37	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-106.3	3.8	176.3	-60.1	-55.2	-173.2	145.5	-6.7	113.8	D262 V906 R907 S909 E910 F919	D262-R912 IonicContact OD1-CZ 3.46Å; D262-R912 IonicContact OD1-NH2 3.78Å; D262-R912 PolarHBondContact OD1-NH2 2.95Å; D262-R912 IonicContact OD2-CZ 3.59Å; D262-R912 IonicContact OD2-NH2 2.75Å; D262-R912 PolarHBondContact OD2-NH2 2.59Å; V906-R912 HydrophobicContact CB-CB 4.42Å; V906-R912 HydrophobicContact CG2-CB 4.49Å; R907-R912 HydrophobicContact CB-CG 4.27Å; S909-R912 PolarHBondContact O-N 3.46Å; E910-R912 PolarHBondContact O-N 3.36Å; E910-R912 VanDerWaalsContact O-N 3.09Å; R912-F919 WeakPolarHBondContact O-CE1 3.33Å; R912-F919 WeakPolarHBondContact O-CZ 3.49Å
913	L	96.2	Very high	96	Very high	35 Å²	35	35.9 Å²	35.9	18%	0.183	20%	0.199	C	C	.	.			trans	-93.2	132	175.4	-57.7	175.5	0	0	0	110.4	L889 E910 F919 W930 F1000 L1004	L889-L913 HydrophobicContact CD2-CD2 4.28Å; E910-L913 HydrophobicContact CB-CD1 4.39Å; E910-L913 PolarHBondContact O-N 3.05Å; E910-L913 VanDerWaalsContact O-N 3.09Å; L913-F919 HydrophobicContact CB-CE2 4.36Å; L913-F919 HydrophobicContact CD2-CB 4.32Å; L913-F919 HydrophobicContact CD2-CD1 4.01Å; L913-F919 HydrophobicContact CD2-CD2 3.67Å; L913-F919 HydrophobicContact CD2-CE1 4.16Å; L913-F919 HydrophobicContact CD2-CE2 3.82Å; L913-F919 HydrophobicContact CD2-CG 3.75Å; L913-F919 HydrophobicContact CD2-CZ 4.06Å; L913-W930 HydrophobicContact CB-CH2 3.91Å; L913-W930 HydrophobicContact CB-CZ2 4.23Å; L913-W930 HydrophobicContact CB-CZ3 4.31Å; L913-W930 HydrophobicContact CD1-CH2 4.49Å; L913-W930 HydrophobicContact CD1-CZ2 4.04Å; L913-W930 HydrophobicContact CD2-CE3 4.44Å; L913-F1000 HydrophobicContact CD1-CE1 3.79Å; L913-F1000 HydrophobicContact CD1-CZ 4.17Å; L913-F1000 HydrophobicContact CD2-CZ 4.47Å; L913-L1004 HydrophobicContact CD1-CD1 4.1Å
914	S	96.1	Very high	96.3	Very high	47 Å²	47	35 Å²	35	33%	0.329	20%	0.195	S	C	.	.			trans	-100.3	144.6	169.7	178.6	0	0	0	0	109.9	E916 G917 W930	S914-E916 PolarHBondContact O-N 2.88Å; S914-E916 PolarHBondContact OG-N 3.48Å; S914-G917 WeakPolarHBondContact O-CA 3.35Å; S914-G917 PolarHBondContact O-N 3.05Å; S914-W930 WeakPolarHBondContact O-CH2 3.38Å; S914-W930 VanDerWaalsContact O-CZ3 3.3Å; S914-W930 WeakPolarHBondContact O-CZ3 3.44Å
915	E	96	Very high	96.5	Very high	77 Å²	77	32.7 Å²	32.7	36%	0.36	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.4	172.7	-53.8	-145.5	126.5	0	0	112.2	G917 G932 V933 S934 S935 Q992 R993	E915-G917 VanDerWaalsContact C-N 3.27Å; E915-G932 CarbonylContact O-C 3.47Å; E915-G932 WeakPolarHBondContact O-CA 3.32Å; E915-V933 HydrophobicContact CB-CG2 4.21Å; E915-V933 PolarHBondContact O-N 3.23Å; E915-S934 CarbonylContact O-C 3.59Å; E915-S934 VanDerWaalsContact O-CA 3.29Å; E915-S934 WeakPolarHBondContact O-CA 3.28Å; E915-S934 WeakPolarHBondContact O-CB 3.32Å; E915-S934 PolarHBondContact O-N 3.34Å; E915-S935 PolarHBondContact O-N 2.87Å; E915-Q992 PolarHBondContact OE1-NE2 2.96Å; E915-R993 IonicContact OE1-CZ 2.87Å; E915-R993 IonicContact OE1-NE 2.85Å; E915-R993 IonicContact OE1-NH2 2.68Å; E915-R993 PolarHBondContact OE1-NH2 3.36Å; E915-R993 IonicContact OE2-NH2 3.88Å; E915-R993 PolarHBondContact OE2-NH2 2.74Å
916	E	95.7	Very high	96.5	Very high	126 Å²	126	34.2 Å²	34.2	59%	0.589	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-0.8	171.6	-60.6	173.3	177.8	0	0	112.3	S914 P936	S914-E916 PolarHBondContact O-N 2.88Å; S914-E916 PolarHBondContact OG-N 3.48Å; E916-P936 WeakPolarHBondContact O-CD 3.45Å
917	G	94.9	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.			trans	-95.4	143.3	-168.1	0	0	0	0	0	115	S914 E915 W930 G932 S935	S914-G917 WeakPolarHBondContact O-CA 3.35Å; S914-G917 PolarHBondContact O-N 3.05Å; E915-G917 VanDerWaalsContact C-N 3.27Å; G917-W930 VanDerWaalsContact O-CZ3 3.26Å; G917-W930 WeakPolarHBondContact O-CZ3 3.45Å; G917-G932 PolarHBondContact O-N 3.29Å; G917-S935 PolarHBondContact O-OG 3.38Å
918	I	96.8	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134	160.1	-54.1	-174.5	0	0	0	107.7	I892 H893 L929 W930 L931 L939 I943	I892-I918 HydrophobicContact CB-CB 4.27Å; I892-I918 HydrophobicContact CB-CG2 3.99Å; I892-I918 HydrophobicContact CG2-CG2 4.22Å; I892-I918 PolarHBondContact N-O 3.36Å; H893-I918 HydrophobicContact CB-CB 4.39Å; H893-I918 PolarHBondContact N-O 3.4Å; H893-I918 PolarHBondContact ND1-N 2.94Å; H893-I918 PolarHBondContact ND1-O 3.41Å; I918-L929 HydrophobicContact CG2-CD1 3.75Å; I918-W930 WeakPolarHBondContact CA-O 3.42Å; I918-L931 HydrophobicContact CB-CD2 4.45Å; I918-L931 HydrophobicContact CD1-CD2 3.95Å; I918-L931 HydrophobicContact CG1-CD2 3.94Å; I918-L931 HydrophobicContact CG2-CD2 3.9Å; I918-L939 HydrophobicContact CD1-CB 3.72Å; I918-L939 HydrophobicContact CD1-CD1 4.08Å; I918-I943 HydrophobicContact CD1-CD1 4.2Å
919	F	97.6	Very high	96.5	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.022	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.9	-177.7	-66.8	-98.7	0	0	0	112	L889 L890 P891 H893 V906 R912 L913 W930	L889-F919 HydrophobicContact CD1-CB 3.91Å; L889-F919 HydrophobicContact CD1-CD1 4.19Å; L889-F919 HydrophobicContact CD1-CG 4.42Å; L889-F919 HydrophobicContact CG-CD1 4.38Å; L890-F919 CarbonylContact O-C 3.48Å; L890-F919 VanDerWaalsContact O-CA 3.27Å; L890-F919 WeakPolarHBondContact O-CA 3.11Å; P891-F919 HydrophobicContact CB-CD1 4.19Å; P891-F919 HydrophobicContact CB-CE1 4Å; H893-F919 AromaticContact CE1-CE1 3.86Å; H893-F919 AromaticContact CE1-CE2 3.64Å; H893-F919 AromaticContact CE1-CZ 3.4Å; H893-F919 WeakPolarHBondContact CE1-CZ 3.47Å; V906-F919 HydrophobicContact CG2-CD1 4.48Å; V906-F919 HydrophobicContact CG2-CE1 4.3Å; R912-F919 WeakPolarHBondContact O-CE1 3.33Å; R912-F919 WeakPolarHBondContact O-CZ 3.49Å; L913-F919 HydrophobicContact CB-CE2 4.36Å; L913-F919 HydrophobicContact CD2-CB 4.32Å; L913-F919 HydrophobicContact CD2-CD1 4.01Å; L913-F919 HydrophobicContact CD2-CD2 3.67Å; L913-F919 HydrophobicContact CD2-CE1 4.16Å; L913-F919 HydrophobicContact CD2-CE2 3.82Å; L913-F919 HydrophobicContact CD2-CG 3.75Å; L913-F919 HydrophobicContact CD2-CZ 4.06Å; F919-W930 AromaticContact CD2-CE3 3.67Å; F919-W930 HydrophobicContact CD2-CE3 3.67Å; F919-W930 AromaticContact CD2-CZ3 3.75Å; F919-W930 HydrophobicContact CD2-CZ3 3.75Å; F919-W930 HydrophobicContact CE2-CE3 4.36Å; F919-W930 AromaticContact CE2-CZ3 3.99Å; F919-W930 HydrophobicContact CE2-CZ3 3.99Å; F919-W930 PolarHBondContact N-O 3.38Å; F919-W930 PolarHBondContact O-N 3.46Å
920	L	97.5	Very high	96.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.4	173.2	-169.2	74.8	0	0	0	109.1	L889 L890 I892 M927 F928 L929 L970 I973 M974 I977	L889-L920 WeakPolarHBondContact CA-O 3.47Å; L890-L920 HydrophobicContact CB-CB 4.46Å; L890-L920 PolarHBondContact N-O 3.36Å; L890-L920 PolarHBondContact O-N 3.08Å; I892-L920 HydrophobicContact CD1-CB 3.88Å; I892-L920 HydrophobicContact CG1-CB 3.85Å; L920-M927 HydrophobicContact CD1-CG 3.73Å; L920-M927 HydrophobicContact CD1-SD 4.06Å; L920-M927 HydrophobicContact CD2-SD 4.41Å; L920-M927 HydrophobicContact CG-CG 4.27Å; L920-F928 CarbonylContact C-O 3.09Å; L920-F928 WeakPolarHBondContact CA-O 3.33Å; L920-L929 HydrophobicContact CD1-CB 4.35Å; L920-L929 HydrophobicContact CD1-CD1 4.24Å; L920-L970 HydrophobicContact CD2-CD1 4.36Å; L920-I973 HydrophobicContact CD2-CG2 4.03Å; L920-M974 HydrophobicContact CD1-CG 4.33Å; L920-M974 HydrophobicContact CD2-CG 3.9Å; L920-I977 HydrophobicContact CD2-CD1 3.69Å
921	L	98.3	Very high	96.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.3	174.1	-174	151.6	0	0	0	109.9	P887 Q888 L889 M927 F928 F1000 F1003 L1004	P887-L921 HydrophobicContact CB-CD1 4.39Å; P887-L921 HydrophobicContact CB-CD2 3.78Å; P887-L921 HydrophobicContact CB-CG 4.01Å; P887-L921 HydrophobicContact CG-CD2 4.36Å; Q888-L921 CarbonylContact O-C 3.49Å; Q888-L921 WeakPolarHBondContact O-CA 3.39Å; L889-L921 HydrophobicContact CD1-CB 3.88Å; L889-L921 HydrophobicContact CD1-CD1 4.22Å; L889-L921 HydrophobicContact CD1-CG 4.44Å; L921-M927 CarbonylContact O-C 3.43Å; L921-M927 WeakPolarHBondContact O-CA 3.28Å; L921-F928 HydrophobicContact CB-CB 4.37Å; L921-F928 HydrophobicContact CD2-CD2 3.82Å; L921-F928 HydrophobicContact CD2-CE2 4.39Å; L921-F928 PolarHBondContact N-O 3.18Å; L921-F928 PolarHBondContact O-N 2.87Å; L921-F1000 HydrophobicContact CB-CD2 4.5Å; L921-F1000 HydrophobicContact CB-CE2 3.84Å; L921-F1000 HydrophobicContact CD1-CD2 4.47Å; L921-F1000 HydrophobicContact CD1-CE2 3.9Å; L921-F1000 HydrophobicContact CG-CE2 4.44Å; L921-F1003 HydrophobicContact CD1-CB 3.94Å; L921-F1003 HydrophobicContact CD2-CB 3.61Å; L921-F1003 HydrophobicContact CD2-CG 4.15Å; L921-F1003 HydrophobicContact CG-CB 4.48Å; L921-L1004 HydrophobicContact CD1-CD2 4.02Å
922	A	98	Very high	96.7	Very high	1 Å²	1	23 Å²	23	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.8	175.9	0	0	0	0	0	112.1	L883 P887 Q888 H926 M927 I977 M985	L883-A922 WeakPolarHBondContact CD1-O 3.5Å; P887-A922 WeakPolarHBondContact CA-O 3.35Å; P887-A922 WeakPolarHBondContact CB-O 3.5Å; Q888-A922 PolarHBondContact N-O 2.97Å; Q888-A922 PolarHBondContact O-N 3.31Å; A922-H926 WeakPolarHBondContact CA-O 3.46Å; A922-M927 HydrophobicContact CB-CE 4.23Å; A922-I977 HydrophobicContact CB-CG2 3.86Å; A922-M985 HydrophobicContact CB-SD 4.05Å
923	N	97.7	Very high	96.7	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	11%	0.108	C	C	.	.			trans	-116.3	4.8	174	88.2	-37	0	0	0	113.9	P887 L925 H926 F1003	P887-N923 HydrophobicContact CB-CB 4.19Å; P887-N923 HydrophobicContact CG-CB 3.99Å; N923-L925 PolarHBondContact OD1-N 2.88Å; N923-H926 PolarHBondContact N-O 3.5Å; N923-H926 PolarHBondContact OD1-N 2.86Å; N923-H926 PolarHBondContact OD1-O 2.8Å; N923-F1003 HydrophobicContact CB-CD1 4.3Å
924	G	96.3	Very high	96.7	Very high	9 Å²	9	22 Å²	22	9%	0.093	12%	0.121	C	C	.	.	S	Bend	trans	89.4	-2.6	-176.3	0	0	0	0	0	115.4
925	L	95.9	Very high	96.7	Very high	15 Å²	15	20.1 Å²	20.1	8%	0.079	11%	0.108	C	C	.	.	S	Bend	trans	-129	-37.2	172.3	-58.7	172	0	0	0	112.1	L872 F884 N923 Y983 M985 K986	L872-L925 HydrophobicContact CD1-CD1 3.47Å; L872-L925 VanDerWaalsContact CD1-CD1 3.47Å; L872-L925 HydrophobicContact CD1-CD2 3.88Å; L872-L925 HydrophobicContact CD1-CG 4.34Å; F884-L925 HydrophobicContact CD2-CD1 3.91Å; F884-L925 HydrophobicContact CE2-CD1 3.69Å; N923-L925 PolarHBondContact OD1-N 2.88Å; L925-Y983 HydrophobicContact CD2-CD2 3.65Å; L925-Y983 HydrophobicContact CD2-CE2 4.34Å; L925-Y983 HydrophobicContact CD2-CG 3.85Å; L925-M985 VanDerWaalsContact O-CA 3.29Å; L925-M985 WeakPolarHBondContact O-CA 3.41Å; L925-K986 PolarHBondContact O-N 3.11Å
926	H	95.9	Very high	96.6	Very high	50 Å²	50	18.6 Å²	18.6	23%	0.231	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.1	173.7	-62.2	-78	0	0	0	110.3	A922 N923 F928	A922-H926 WeakPolarHBondContact CA-O 3.46Å; N923-H926 PolarHBondContact N-O 3.5Å; N923-H926 PolarHBondContact OD1-N 2.86Å; N923-H926 PolarHBondContact OD1-O 2.8Å; H926-F928 HydrophobicContact CB-CD2 4.26Å; H926-F928 HydrophobicContact CB-CE2 3.53Å; H926-F928 HydrophobicContact CB-CZ 3.91Å
927	M	96.8	Very high	96.5	Very high	8 Å²	8	16.5 Å²	16.5	4%	0.039	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	113.8	171.7	-179.5	174.5	-79	0	0	108.3	L920 L921 A922 M974 I977 M985 K986 L987 T988	L920-M927 HydrophobicContact CD1-CG 3.73Å; L920-M927 HydrophobicContact CD1-SD 4.06Å; L920-M927 HydrophobicContact CD2-SD 4.41Å; L920-M927 HydrophobicContact CG-CG 4.27Å; L921-M927 CarbonylContact O-C 3.43Å; L921-M927 WeakPolarHBondContact O-CA 3.28Å; A922-M927 HydrophobicContact CB-CE 4.23Å; M927-M974 HydrophobicContact CE-CB 4.28Å; M927-M974 HydrophobicContact CE-CG 4.42Å; M927-M974 HydrophobicContact SD-CB 3.94Å; M927-M974 HydrophobicContact SD-CE 3.66Å; M927-M974 HydrophobicContact SD-CG 3.67Å; M927-M974 HydrophobicContact SD-SD 4.44Å; M927-I977 HydrophobicContact CE-CB 4.14Å; M927-I977 HydrophobicContact CE-CD1 4.32Å; M927-I977 HydrophobicContact CE-CG2 4.11Å; M927-M985 HydrophobicContact CB-CB 3.97Å; M927-M985 HydrophobicContact CB-SD 4.42Å; M927-M985 HydrophobicContact CE-CE 3.57Å; M927-M985 HydrophobicContact CE-SD 4.14Å; M927-K986 PolarHBondContact N-O 3.32Å; M927-L987 HydrophobicContact CG-CD1 4.19Å; M927-L987 CarbonylContact O-C 3.54Å; M927-L987 VanDerWaalsContact O-CA 3.25Å; M927-L987 WeakPolarHBondContact O-CA 3.45Å; M927-L987 WeakPolarHBondContact O-CD1 3.48Å; M927-T988 PolarHBondContact O-N 2.92Å
928	F	97	Very high	96.4	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	179.5	-59.9	-90	0	0	0	110.3	L920 L921 H926 T988 V990 V999 F1000 F1003	L920-F928 CarbonylContact C-O 3.09Å; L920-F928 WeakPolarHBondContact CA-O 3.33Å; L921-F928 HydrophobicContact CB-CB 4.37Å; L921-F928 HydrophobicContact CD2-CD2 3.82Å; L921-F928 HydrophobicContact CD2-CE2 4.39Å; L921-F928 PolarHBondContact N-O 3.18Å; L921-F928 PolarHBondContact O-N 2.87Å; H926-F928 HydrophobicContact CB-CD2 4.26Å; H926-F928 HydrophobicContact CB-CE2 3.53Å; H926-F928 HydrophobicContact CB-CZ 3.91Å; F928-T988 CarbonylContact C-O 3.36Å; F928-T988 VanDerWaalsContact CA-O 3.28Å; F928-T988 WeakPolarHBondContact CA-O 3.45Å; F928-T988 HydrophobicContact CD1-CG2 3.79Å; F928-T988 HydrophobicContact CE1-CG2 3.89Å; F928-V990 HydrophobicContact CB-CG2 4.47Å; F928-V990 HydrophobicContact CD1-CG2 3.83Å; F928-V999 HydrophobicContact CE1-CG1 4.16Å; F928-V999 HydrophobicContact CZ-CG1 4.15Å; F928-F1000 HydrophobicContact CB-CD2 3.65Å; F928-F1000 HydrophobicContact CB-CE2 4.17Å; F928-F1000 HydrophobicContact CD1-CB 4.16Å; F928-F1000 HydrophobicContact CD1-CD2 4.31Å; F928-F1000 HydrophobicContact CD2-CD2 4.33Å; F928-F1000 HydrophobicContact CE1-CB 4.48Å; F928-F1000 AromaticContact CG-CD2 3.86Å; F928-F1000 HydrophobicContact CG-CD2 3.86Å; F928-F1003 HydrophobicContact CD2-CD2 4.4Å; F928-F1003 HydrophobicContact CE2-CD1 4.41Å; F928-F1003 AromaticContact CE2-CD2 3.48Å; F928-F1003 HydrophobicContact CE2-CD2 3.48Å; F928-F1003 VanDerWaalsContact CE2-CD2 3.48Å; F928-F1003 HydrophobicContact CE2-CE1 4.4Å; F928-F1003 AromaticContact CE2-CE2 3.49Å; F928-F1003 HydrophobicContact CE2-CE2 3.49Å; F928-F1003 VanDerWaalsContact CE2-CE2 3.49Å; F928-F1003 AromaticContact CE2-CG 3.98Å; F928-F1003 HydrophobicContact CE2-CG 3.98Å; F928-F1003 AromaticContact CE2-CZ 3.96Å; F928-F1003 HydrophobicContact CE2-CZ 3.96Å; F928-F1003 AromaticContact CZ-CD2 3.74Å; F928-F1003 HydrophobicContact CZ-CD2 3.74Å; F928-F1003 AromaticContact CZ-CE2 3.4Å; F928-F1003 HydrophobicContact CZ-CE2 3.4Å; F928-F1003 VanDerWaalsContact CZ-CE2 3.4Å; F928-F1003 HydrophobicContact CZ-CZ 4.06Å
929	L	96.9	Very high	96.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	97.9	168.8	-178.6	58.8	0	0	0	108	I918 L920 F944 L959 L970 L987 T988 V990	I918-L929 HydrophobicContact CG2-CD1 3.75Å; L920-L929 HydrophobicContact CD1-CB 4.35Å; L920-L929 HydrophobicContact CD1-CD1 4.24Å; L929-F944 HydrophobicContact CD2-CE1 4.11Å; L929-F944 HydrophobicContact CD2-CE2 4.5Å; L929-F944 HydrophobicContact CD2-CZ 3.56Å; L929-F944 HydrophobicContact CG-CZ 4.31Å; L929-L959 HydrophobicContact CD2-CD2 3.87Å; L929-L970 HydrophobicContact CD1-CD2 4.27Å; L929-L970 HydrophobicContact CD2-CD2 4.06Å; L929-L987 HydrophobicContact CB-CD1 4.41Å; L929-T988 PolarHBondContact N-O 2.84Å; L929-V990 PolarHBondContact O-N 2.75Å
930	W	97.4	Very high	96	Very high	3 Å²	3	23 Å²	23	1%	0.011	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	140.7	-177.4	-177.7	100	0	0	0	111.2	L913 S914 G917 I918 F919 G932 V990 Q992 E997 F1000	L913-W930 HydrophobicContact CB-CH2 3.91Å; L913-W930 HydrophobicContact CB-CZ2 4.23Å; L913-W930 HydrophobicContact CB-CZ3 4.31Å; L913-W930 HydrophobicContact CD1-CH2 4.49Å; L913-W930 HydrophobicContact CD1-CZ2 4.04Å; L913-W930 HydrophobicContact CD2-CE3 4.44Å; S914-W930 WeakPolarHBondContact O-CH2 3.38Å; S914-W930 VanDerWaalsContact O-CZ3 3.3Å; S914-W930 WeakPolarHBondContact O-CZ3 3.44Å; G917-W930 VanDerWaalsContact O-CZ3 3.26Å; G917-W930 WeakPolarHBondContact O-CZ3 3.45Å; I918-W930 WeakPolarHBondContact CA-O 3.42Å; F919-W930 AromaticContact CD2-CE3 3.67Å; F919-W930 HydrophobicContact CD2-CE3 3.67Å; F919-W930 AromaticContact CD2-CZ3 3.75Å; F919-W930 HydrophobicContact CD2-CZ3 3.75Å; F919-W930 HydrophobicContact CE2-CE3 4.36Å; F919-W930 AromaticContact CE2-CZ3 3.99Å; F919-W930 HydrophobicContact CE2-CZ3 3.99Å; F919-W930 PolarHBondContact N-O 3.38Å; F919-W930 PolarHBondContact O-N 3.46Å; W930-G932 VanDerWaalsContact CZ3-N 3.3Å; W930-V990 CarbonylContact C-O 3.52Å; W930-V990 WeakPolarHBondContact CA-O 3.4Å; W930-V990 HydrophobicContact CB-CB 4.44Å; W930-Q992 HydrophobicContact CH2-CB 4.39Å; W930-Q992 HydrophobicContact CH2-CG 4.27Å; W930-Q992 HydrophobicContact CZ2-CB 3.73Å; W930-Q992 HydrophobicContact CZ2-CG 3.54Å; W930-E997 PolarHBondContact NE1-OE1 3.04Å; W930-F1000 HydrophobicContact CB-CE1 4.22Å; W930-F1000 HydrophobicContact CB-CE2 3.98Å; W930-F1000 HydrophobicContact CB-CZ 3.81Å; W930-F1000 AromaticContact CD1-CD1 3.5Å; W930-F1000 AromaticContact CD1-CE1 3.27Å; W930-F1000 AromaticContact CD1-CZ 3.79Å; W930-F1000 HydrophobicContact CD2-CE1 4.5Å; W930-F1000 HydrophobicContact CG-CD1 4.33Å; W930-F1000 AromaticContact CG-CE1 3.78Å; W930-F1000 HydrophobicContact CG-CE1 3.78Å; W930-F1000 HydrophobicContact CG-CE2 4.43Å; W930-F1000 AromaticContact CG-CZ 3.83Å; W930-F1000 HydrophobicContact CG-CZ 3.83Å; W930-F1000 AromaticContact NE1-CE1 3.73Å
931	L	96.8	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115	-172.3	-58.9	161.8	0	0	0	109.1	I918 F944 F949 I952 I989 V990 K991 Q992	I918-L931 HydrophobicContact CB-CD2 4.45Å; I918-L931 HydrophobicContact CD1-CD2 3.95Å; I918-L931 HydrophobicContact CG1-CD2 3.94Å; I918-L931 HydrophobicContact CG2-CD2 3.9Å; L931-F944 HydrophobicContact CD1-CE2 4.12Å; L931-F944 HydrophobicContact CD1-CZ 3.9Å; L931-F944 HydrophobicContact CD2-CE2 3.76Å; L931-F944 HydrophobicContact CD2-CZ 4.05Å; L931-F944 HydrophobicContact CG-CZ 4.5Å; L931-F949 HydrophobicContact CB-CD2 4.28Å; L931-F949 HydrophobicContact CB-CE2 3.89Å; L931-F949 WeakPolarHBondContact O-CE2 3.25Å; L931-I952 HydrophobicContact CD1-CD1 3.69Å; L931-I952 HydrophobicContact CD1-CG2 4.12Å; L931-I989 HydrophobicContact CD1-CG2 3.81Å; L931-V990 PolarHBondContact N-O 3.46Å; L931-K991 HydrophobicContact CD1-CG 4.09Å; L931-Q992 VanDerWaalsContact O-CB 3.3Å; L931-Q992 WeakPolarHBondContact O-CB 3.27Å; L931-Q992 PolarHBondContact O-N 3.39Å
932	G	97.1	Very high	95.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.			trans	-69.4	153.4	173	0	0	0	0	0	112.4	E915 G917 W930 S934 S935 F949	E915-G932 CarbonylContact O-C 3.47Å; E915-G932 WeakPolarHBondContact O-CA 3.32Å; G917-G932 PolarHBondContact O-N 3.29Å; W930-G932 VanDerWaalsContact CZ3-N 3.3Å; G932-S934 PolarHBondContact O-N 2.94Å; G932-S934 VanDerWaalsContact O-N 3.15Å; G932-S935 PolarHBondContact N-OG 2.88Å; G932-S935 VanDerWaalsContact N-OG 3.08Å; G932-S935 VanDerWaalsContact O-CB 3.26Å; G932-S935 WeakPolarHBondContact O-CB 3.23Å; G932-S935 PolarHBondContact O-N 3.44Å; G932-S935 PolarHBondContact O-OG 3.23Å; G932-F949 WeakPolarHBondContact O-CE2 3.4Å
933	V	96	Very high	95.1	Very high	45 Å²	45	28.5 Å²	28.5	27%	0.273	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.8	-176	-63.3	0	0	0	0	114.2	E915 F949 Q992 R993	E915-V933 HydrophobicContact CB-CG2 4.21Å; E915-V933 PolarHBondContact O-N 3.23Å; V933-F949 HydrophobicContact CG1-CE1 4.34Å; V933-F949 HydrophobicContact CG1-CZ 4.21Å; V933-Q992 HydrophobicContact CG1-CB 4.03Å; V933-Q992 HydrophobicContact CG1-CG 4.36Å; V933-R993 HydrophobicContact CG1-CG 4.12Å
934	S	96	Very high	94.9	Very high	67 Å²	67	29 Å²	29	47%	0.469	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	16.2	178.3	-53.9	0	0	0	0	112.4	E915 G932	E915-S934 CarbonylContact O-C 3.59Å; E915-S934 VanDerWaalsContact O-CA 3.29Å; E915-S934 WeakPolarHBondContact O-CA 3.28Å; E915-S934 WeakPolarHBondContact O-CB 3.32Å; E915-S934 PolarHBondContact O-N 3.34Å; G932-S934 PolarHBondContact O-N 2.94Å; G932-S934 VanDerWaalsContact O-N 3.15Å
935	S	95.6	Very high	94.7	Very high	7 Å²	7	34 Å²	34	5%	0.049	19%	0.185	C	C	.	.			trans	-52.3	131.8	179.6	-70.7	0	0	0	0	112.1	E915 G917 G932 I940	E915-S935 PolarHBondContact O-N 2.87Å; G917-S935 PolarHBondContact O-OG 3.38Å; G932-S935 PolarHBondContact N-OG 2.88Å; G932-S935 VanDerWaalsContact N-OG 3.08Å; G932-S935 VanDerWaalsContact O-CB 3.26Å; G932-S935 WeakPolarHBondContact O-CB 3.23Å; G932-S935 PolarHBondContact O-N 3.44Å; G932-S935 PolarHBondContact O-OG 3.23Å; S935-I940 WeakPolarHBondContact O-CD1 3.24Å
936	P	94.3	Very high	94.6	Very high	46 Å²	46	34.9 Å²	34.9	30%	0.299	19%	0.192	S	C	.	.			trans	-53.4	128.4	-177.5	-31.2	34.5	0	0	0	113.8	E916 E938 L939 I940	E916-P936 WeakPolarHBondContact O-CD 3.45Å; P936-E938 PolarHBondContact O-N 2.99Å; P936-L939 HydrophobicContact CB-CB 4.5Å; P936-L939 HydrophobicContact CB-CD1 4.22Å; P936-L939 HydrophobicContact CB-CG 4.19Å; P936-L939 HydrophobicContact CG-CD1 4.16Å; P936-L939 PolarHBondContact O-N 3.04Å; P936-L939 VanDerWaalsContact O-N 3.15Å; P936-I940 WeakPolarHBondContact O-CG1 3.44Å; P936-I940 PolarHBondContact O-N 2.78Å; P936-I940 VanDerWaalsContact O-N 3.15Å
937	P	93.6	Very high	94.4	Very high	81 Å²	81	36.4 Å²	36.4	53%	0.526	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-27.6	-178	25.8	-34.1	0	0	0	112.7	I940 Q941	P937-I940 PolarHBondContact O-N 2.97Å; P937-Q941 WeakPolarHBondContact O-CB 3.48Å; P937-Q941 PolarHBondContact O-N 3.46Å
938	E	92.3	Very high	94.3	Very high	128 Å²	128	38 Å²	38	60%	0.598	22%	0.218	S	C	*	.	H	α-helix	trans	-59.5	-47.1	172.9	178.8	175.1	-158.1	0	0	112.2	P936 Q941 G942	P936-E938 PolarHBondContact O-N 2.99Å; E938-Q941 PolarHBondContact O-N 3.18Å; E938-G942 PolarHBondContact O-N 2.97Å
939	L	92.4	Very high	94.1	Very high	13 Å²	13	39.7 Å²	39.7	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-38.3	177	-63.4	178.7	0	0	0	111.3	H893 I918 P936 G942 I943 Y966	H893-L939 HydrophobicContact CB-CD1 4.01Å; I918-L939 HydrophobicContact CD1-CB 3.72Å; I918-L939 HydrophobicContact CD1-CD1 4.08Å; P936-L939 HydrophobicContact CB-CB 4.5Å; P936-L939 HydrophobicContact CB-CD1 4.22Å; P936-L939 HydrophobicContact CB-CG 4.19Å; P936-L939 HydrophobicContact CG-CD1 4.16Å; P936-L939 PolarHBondContact O-N 3.04Å; P936-L939 VanDerWaalsContact O-N 3.15Å; L939-G942 PolarHBondContact O-N 2.97Å; L939-I943 HydrophobicContact CB-CD1 4.49Å; L939-I943 WeakPolarHBondContact O-CB 3.48Å; L939-I943 VanDerWaalsContact O-CG1 3.28Å; L939-I943 WeakPolarHBondContact O-CG1 3.31Å; L939-I943 PolarHBondContact O-N 2.66Å; L939-Y966 HydrophobicContact CD2-CD1 3.45Å; L939-Y966 VanDerWaalsContact CD2-CD1 3.45Å; L939-Y966 HydrophobicContact CD2-CD2 4.19Å; L939-Y966 HydrophobicContact CD2-CE1 3.41Å; L939-Y966 VanDerWaalsContact CD2-CE1 3.41Å; L939-Y966 HydrophobicContact CD2-CE2 4.16Å; L939-Y966 HydrophobicContact CD2-CG 3.86Å
940	I	93.8	Very high	94	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-46.3	177	-65.8	171.3	0	0	0	110.8	S935 P936 P937 F944 V946 F949 I952	S935-I940 WeakPolarHBondContact O-CD1 3.24Å; P936-I940 WeakPolarHBondContact O-CG1 3.44Å; P936-I940 PolarHBondContact O-N 2.78Å; P936-I940 VanDerWaalsContact O-N 3.15Å; P937-I940 PolarHBondContact O-N 2.97Å; I940-F944 HydrophobicContact CG2-CD2 4.4Å; I940-F944 WeakPolarHBondContact O-CA 3.24Å; I940-F944 WeakPolarHBondContact O-CB 3.46Å; I940-F944 PolarHBondContact O-N 2.98Å; I940-V946 HydrophobicContact CG2-CG2 3.78Å; I940-F949 HydrophobicContact CD1-CB 3.86Å; I940-I952 HydrophobicContact CD1-CD1 4.29Å; I940-I952 HydrophobicContact CG1-CD1 4.18Å; I940-I952 HydrophobicContact CG2-CD1 3.71Å; I940-I952 HydrophobicContact CG2-CG1 3.97Å
941	Q	92.8	Very high	93.8	Very high	115 Å²	115	48.8 Å²	48.8	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-65.9	-40.3	176.5	-169.8	176.6	9.8	0	0	111.2	P937 E938 N945 V946	P937-Q941 WeakPolarHBondContact O-CB 3.48Å; P937-Q941 PolarHBondContact O-N 3.46Å; E938-Q941 PolarHBondContact O-N 3.18Å; Q941-N945 VanDerWaalsContact O-CA 3.24Å; Q941-N945 WeakPolarHBondContact O-CA 3.29Å; Q941-N945 PolarHBondContact O-N 3.02Å; Q941-V946 VanDerWaalsContact CA-O 3.29Å; Q941-V946 WeakPolarHBondContact CA-O 3.45Å; Q941-V946 PolarHBondContact N-O 2.83Å
942	G	91.4	Very high	93.5	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-65.6	-38.2	177.6	0	0	0	0	0	114.3	E938 L939 N964 S967	E938-G942 PolarHBondContact O-N 2.97Å; L939-G942 PolarHBondContact O-N 2.97Å; G942-N964 VanDerWaalsContact CA-CG 3.42Å; G942-N964 WeakPolarHBondContact CA-ND2 3.39Å; G942-N964 WeakPolarHBondContact O-CB 3.27Å; G942-S967 WeakPolarHBondContact O-CB 3.44Å
943	I	91.9	Very high	93.1	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-90	-44.9	-176.2	-64.9	164.5	0	0	0	112.2	I918 L939 L959 L970	I918-I943 HydrophobicContact CD1-CD1 4.2Å; L939-I943 HydrophobicContact CB-CD1 4.49Å; L939-I943 WeakPolarHBondContact O-CB 3.48Å; L939-I943 VanDerWaalsContact O-CG1 3.28Å; L939-I943 WeakPolarHBondContact O-CG1 3.31Å; L939-I943 PolarHBondContact O-N 2.66Å; I943-L959 HydrophobicContact CG2-CD2 4.2Å; I943-L970 HydrophobicContact CD1-CD2 4.09Å; I943-L970 HydrophobicContact CG1-CD2 4.3Å; I943-L970 HydrophobicContact CG2-CD2 3.8Å
944	F	92.3	Very high	92.6	Very high	16 Å²	16	52.2 Å²	52.2	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-109.2	-5.5	-170.5	-58.9	-84	0	0	0	114.4	L929 L931 I940 V946 I952 L959 I989	L929-F944 HydrophobicContact CD2-CE1 4.11Å; L929-F944 HydrophobicContact CD2-CE2 4.5Å; L929-F944 HydrophobicContact CD2-CZ 3.56Å; L929-F944 HydrophobicContact CG-CZ 4.31Å; L931-F944 HydrophobicContact CD1-CE2 4.12Å; L931-F944 HydrophobicContact CD1-CZ 3.9Å; L931-F944 HydrophobicContact CD2-CE2 3.76Å; L931-F944 HydrophobicContact CD2-CZ 4.05Å; L931-F944 HydrophobicContact CG-CZ 4.5Å; I940-F944 HydrophobicContact CG2-CD2 4.4Å; I940-F944 WeakPolarHBondContact O-CA 3.24Å; I940-F944 WeakPolarHBondContact O-CB 3.46Å; I940-F944 PolarHBondContact O-N 2.98Å; F944-V946 HydrophobicContact CB-CG2 4.01Å; F944-V946 PolarHBondContact O-N 2.99Å; F944-I952 HydrophobicContact CD1-CG2 4.43Å; F944-I952 HydrophobicContact CD2-CD1 4.05Å; F944-I952 HydrophobicContact CE1-CG2 4.45Å; F944-I952 HydrophobicContact CE2-CD1 4.17Å; F944-L959 HydrophobicContact CD1-CD2 4.19Å; F944-L959 HydrophobicContact CE1-CD2 3.72Å; F944-L959 HydrophobicContact CZ-CD2 4.4Å; F944-I989 HydrophobicContact CE1-CD1 3.93Å; F944-I989 HydrophobicContact CE1-CG1 4.36Å; F944-I989 HydrophobicContact CE1-CG2 4.38Å
945	N	93.4	Very high	92	Very high	114 Å²	114	54.8 Å²	54.8	61%	0.61	31%	0.307	S	S	*	.	S	Bend	trans	56.2	32.1	-176.4	-163.1	41.3	0	0	0	114.4	Q941 V962	Q941-N945 VanDerWaalsContact O-CA 3.24Å; Q941-N945 WeakPolarHBondContact O-CA 3.29Å; Q941-N945 PolarHBondContact O-N 3.02Å; N945-V962 HydrophobicContact CB-CG2 3.98Å
946	V	93.2	Very high	91.2	Very high	35 Å²	35	59.5 Å²	59.5	21%	0.212	33%	0.33	C	S	.	.	S	Bend	trans	-125.4	151.6	174.4	-59.2	0	0	0	0	110.6	I940 Q941 F944 S948 H951 I952	I940-V946 HydrophobicContact CG2-CG2 3.78Å; Q941-V946 VanDerWaalsContact CA-O 3.29Å; Q941-V946 WeakPolarHBondContact CA-O 3.45Å; Q941-V946 PolarHBondContact N-O 2.83Å; F944-V946 HydrophobicContact CB-CG2 4.01Å; F944-V946 PolarHBondContact O-N 2.99Å; V946-S948 PolarHBondContact O-N 3Å; V946-H951 HydrophobicContact CB-CB 3.8Å; V946-H951 HydrophobicContact CG1-CB 4.39Å; V946-H951 HydrophobicContact CG2-CB 4.01Å; V946-I952 HydrophobicContact CG2-CG1 3.78Å
947	P	92.2	Very high	90.4	Very high	81 Å²	81	58.5 Å²	58.5	53%	0.526	32%	0.323	S	S	.	.	S	Bend	trans	-81	-13.6	-166.8	30.7	-36.1	0	0	0	115.3
948	S	93.8	Very high	89.7	Confident	42 Å²	42	59.9 Å²	59.9	29%	0.294	33%	0.325	S	S	.	.	S	Bend	trans	-162.3	165.1	177	73.7	0	0	0	0	113.3	V946 A950 H951	V946-S948 PolarHBondContact O-N 3Å; S948-A950 PolarHBondContact O-N 2.88Å; S948-A950 VanDerWaalsContact O-N 3.14Å; S948-H951 WeakPolarHBondContact O-CB 3.4Å; S948-H951 PolarHBondContact O-N 3.47Å; S948-H951 PolarHBondContact OG-CE1 2.94Å; S948-H951 PolarHBondContact OG-ND1 2.72Å
949	F	93.6	Very high	89	Confident	36 Å²	36	54.4 Å²	54.4	16%	0.158	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-49.1	-38.3	178.9	178.3	-95.7	0	0	0	114.1	L931 G932 V933 I940 H951 I952 K991	L931-F949 HydrophobicContact CB-CD2 4.28Å; L931-F949 HydrophobicContact CB-CE2 3.89Å; L931-F949 WeakPolarHBondContact O-CE2 3.25Å; G932-F949 WeakPolarHBondContact O-CE2 3.4Å; V933-F949 HydrophobicContact CG1-CE1 4.34Å; V933-F949 HydrophobicContact CG1-CZ 4.21Å; I940-F949 HydrophobicContact CD1-CB 3.86Å; F949-H951 PolarHBondContact O-N 2.81Å; F949-I952 PolarHBondContact O-N 2.94Å; F949-K991 HydrophobicContact CE1-CB 4.46Å; F949-K991 HydrophobicContact CE2-CB 3.92Å; F949-K991 HydrophobicContact CE2-CG 3.83Å; F949-K991 HydrophobicContact CZ-CB 3.61Å; F949-K991 HydrophobicContact CZ-CG 3.93Å; F949-K991 VanDerWaalsContact O-CE 3.22Å; F949-K991 WeakPolarHBondContact O-CE 3.26Å
950	A	93.3	Very high	88.3	Confident	79 Å²	79	55.5 Å²	55.5	65%	0.653	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62	-27.9	179.5	0	0	0	0	0	113.5	S948	S948-A950 PolarHBondContact O-N 2.88Å; S948-A950 VanDerWaalsContact O-N 3.14Å
951	H	93.2	Very high	87.7	Confident	115 Å²	115	63.4 Å²	63.4	53%	0.532	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-85.3	-7.3	-178.7	-61.3	89.1	0	0	0	113.5	V946 S948 F949 N953	V946-H951 HydrophobicContact CB-CB 3.8Å; V946-H951 HydrophobicContact CG1-CB 4.39Å; V946-H951 HydrophobicContact CG2-CB 4.01Å; S948-H951 WeakPolarHBondContact O-CB 3.4Å; S948-H951 PolarHBondContact O-N 3.47Å; S948-H951 PolarHBondContact OG-CE1 2.94Å; S948-H951 PolarHBondContact OG-ND1 2.72Å; F949-H951 PolarHBondContact O-N 2.81Å; H951-N953 PolarHBondContact O-N 2.69Å
952	I	91.6	Very high	87.2	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.036	33%	0.327	C	S	.	.			trans	-76.7	119	177.1	-54.3	173.7	0	0	0	108.6	L931 I940 F944 V946 F949 I989 K991	L931-I952 HydrophobicContact CD1-CD1 3.69Å; L931-I952 HydrophobicContact CD1-CG2 4.12Å; I940-I952 HydrophobicContact CD1-CD1 4.29Å; I940-I952 HydrophobicContact CG1-CD1 4.18Å; I940-I952 HydrophobicContact CG2-CD1 3.71Å; I940-I952 HydrophobicContact CG2-CG1 3.97Å; F944-I952 HydrophobicContact CD1-CG2 4.43Å; F944-I952 HydrophobicContact CD2-CD1 4.05Å; F944-I952 HydrophobicContact CE1-CG2 4.45Å; F944-I952 HydrophobicContact CE2-CD1 4.17Å; V946-I952 HydrophobicContact CG2-CG1 3.78Å; F949-I952 PolarHBondContact O-N 2.94Å; I952-I989 HydrophobicContact CG2-CG2 4.1Å; I952-K991 HydrophobicContact CB-CD 4.06Å; I952-K991 HydrophobicContact CG2-CD 4.18Å; I952-K991 WeakPolarHBondContact O-CD 3.31Å; I952-K991 WeakPolarHBondContact O-CE 3.45Å; I952-K991 PolarHBondContact O-NZ 2.92Å
953	N	88.3	Confident	86.5	Confident	85 Å²	85	62.8 Å²	62.8	46%	0.455	36%	0.364	S	S	.	.			trans	-89.8	123.6	171.4	-174	-0.5	0	0	0	110.2	H951 D955 M956	H951-N953 PolarHBondContact O-N 2.69Å; N953-D955 WeakPolarHBondContact OD1-CB 3.4Å; N953-D955 PolarHBondContact OD1-N 2.81Å; N953-M956 HydrophobicContact CB-CB 4.33Å
954	T	85.1	Confident	86.3	Confident	25 Å²	25	65 Å²	65	15%	0.153	38%	0.376	C	S	.	.	S	Bend	trans	-74.5	-22.8	178.1	28.9	0	0	0	0	113.4	I989 K991 E994	T954-I989 HydrophobicContact CG2-CG2 4.26Å; T954-K991 HydrophobicContact CG2-CB 4.19Å; T954-K991 HydrophobicContact CG2-CD 3.69Å; T954-K991 HydrophobicContact CG2-CG 3.84Å; T954-E994 PolarHBondContact OG1-OE2 3.23Å
955	D	83.4	Confident	86	Confident	121 Å²	121	67.3 Å²	67.3	65%	0.647	39%	0.392	S	S	*	.	S	Bend	trans	-73	-26.7	174.3	-62.2	-35.9	0	0	0	112.7	N953 T957	N953-D955 WeakPolarHBondContact OD1-CB 3.4Å; N953-D955 PolarHBondContact OD1-N 2.81Å; D955-T957 VanDerWaalsContact C-N 3.33Å; D955-T957 PolarHBondContact O-N 2.61Å; D955-T957 PolarHBondContact O-OG1 3.06Å
956	M	80.3	Confident	85.8	Confident	106 Å²	106	65 Å²	65	52%	0.522	38%	0.376	S	S	.	.			trans	-86.2	71.9	-177.8	-165.4	-171.7	78.2	0	0	110.9	N953 L958 I989	N953-M956 HydrophobicContact CB-CB 4.33Å; M956-L958 PolarHBondContact O-N 3.42Å; M956-I989 WeakPolarHBondContact O-CD1 3.38Å
957	T	77.4	Confident	85.7	Confident	26 Å²	26	63.3 Å²	63.3	16%	0.16	37%	0.366	C	S	.	.			trans	-77	27.8	-166.9	-19.2	0	0	0	0	115.7	D955 L987 I989	D955-T957 VanDerWaalsContact C-N 3.33Å; D955-T957 PolarHBondContact O-N 2.61Å; D955-T957 PolarHBondContact O-OG1 3.06Å; T957-L987 HydrophobicContact CG2-CG 4.41Å; T957-L987 VanDerWaalsContact CG2-O 3.22Å; T957-L987 WeakPolarHBondContact CG2-O 3.23Å; T957-I989 HydrophobicContact CG2-CG1 4.36Å
958	L	78.1	Confident	85.6	Confident	109 Å²	109	65 Å²	65	57%	0.571	37%	0.366	S	S	*	.	S	Bend	trans	-119.3	125.2	179	-172.5	71.5	0	0	0	109.9	M956	M956-L958 PolarHBondContact O-N 3.42Å
959	L	77.2	Confident	85.4	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.068	36%	0.357	C	S	.	.			trans	-73.3	124.8	177.5	-67.8	-179.5	0	0	0	110.9	L929 I943 F944 L970 R971 M974 L987	L929-L959 HydrophobicContact CD2-CD2 3.87Å; I943-L959 HydrophobicContact CG2-CD2 4.2Å; F944-L959 HydrophobicContact CD1-CD2 4.19Å; F944-L959 HydrophobicContact CE1-CD2 3.72Å; F944-L959 HydrophobicContact CZ-CD2 4.4Å; L959-L970 HydrophobicContact CD1-CD2 4.3Å; L959-R971 PolarHBondContact O-NH2 3.38Å; L959-M974 HydrophobicContact CD1-CE 3.79Å; L959-M974 HydrophobicContact CD1-SD 3.51Å; L959-M974 VanDerWaalsContact CD1-SD 3.51Å; L959-L987 HydrophobicContact CD1-CD2 4.45Å; L959-L987 HydrophobicContact CG-CD2 3.97Å
960	P	78.8	Confident	85.3	Confident	37 Å²	37	62.2 Å²	62.2	24%	0.24	35%	0.349	C	S	.	.			trans	-62.7	151.9	-179.7	23.3	-30.6	0	0	0	112.7	V962 R971	P960-V962 VanDerWaalsContact C-N 3.28Å; P960-V962 HydrophobicContact CB-CG2 3.98Å; P960-V962 HydrophobicContact CG-CG2 3.82Å; P960-V962 PolarHBondContact O-N 3.46Å; P960-R971 PolarHBondContact O-NH2 2.81Å; P960-R971 VanDerWaalsContact O-NH2 3.13Å
961	E	80.5	Confident	85.2	Confident	167 Å²	167	62.2 Å²	62.2	78%	0.78	33%	0.332	S	S	*	.			trans	-74.2	75.5	174.7	-64.1	-81	115.5	0	0	109.8	R971	E961-R971 IonicContact OE1-CZ 3.32Å; E961-R971 IonicContact OE1-NH1 3.06Å; E961-R971 PolarHBondContact OE1-NH1 2.88Å; E961-R971 IonicContact OE1-NH2 3.36Å; E961-R971 PolarHBondContact OE1-NH2 2.74Å; E961-R971 IonicContact OE2-NH1 3.51Å
962	V	81.6	Confident	85.1	Confident	27 Å²	27	59.7 Å²	59.7	16%	0.164	32%	0.322	C	S	.	.			trans	-94.8	127.1	-179.1	-162.6	0	0	0	0	110.6	N945 P960 N964	N945-V962 HydrophobicContact CB-CG2 3.98Å; P960-V962 VanDerWaalsContact C-N 3.28Å; P960-V962 HydrophobicContact CB-CG2 3.98Å; P960-V962 HydrophobicContact CG-CG2 3.82Å; P960-V962 PolarHBondContact O-N 3.46Å; V962-N964 HydrophobicContact CB-CB 4.4Å; V962-N964 HydrophobicContact CG1-CB 3.69Å; V962-N964 PolarHBondContact O-N 2.82Å
963	G	76.9	Confident	85.1	Confident	76 Å²	76	59.4 Å²	59.4	78%	0.784	32%	0.32	S	S	*	.			trans	-69.9	23.7	172.6	0	0	0	0	0	115.1
964	N	87.5	Confident	85.4	Confident	48 Å²	48	56.7 Å²	56.7	26%	0.257	31%	0.305	S	S	.	.	S	Bend	trans	-96.3	138.2	-179.6	179.1	-67.9	0	0	0	109.5	G942 V962 Y966 S967 Q968	G942-N964 VanDerWaalsContact CA-CG 3.42Å; G942-N964 WeakPolarHBondContact CA-ND2 3.39Å; G942-N964 WeakPolarHBondContact O-CB 3.27Å; V962-N964 HydrophobicContact CB-CB 4.4Å; V962-N964 HydrophobicContact CG1-CB 3.69Å; V962-N964 PolarHBondContact O-N 2.82Å; N964-Y966 VanDerWaalsContact C-N 3.3Å; N964-Y966 PolarHBondContact O-N 3.25Å; N964-Y966 WeakPolarHBondContact OD1-CB 3.37Å; N964-Y966 WeakPolarHBondContact OD1-CD2 3.43Å; N964-Y966 PolarHBondContact OD1-N 3.47Å; N964-S967 PolarHBondContact O-N 2.94Å; N964-S967 VanDerWaalsContact O-N 3.11Å; N964-Q968 PolarHBondContact O-N 3.23Å; N964-Q968 VanDerWaalsContact O-N 3.15Å
965	P	87.7	Confident	85.7	Confident	65 Å²	65	57.4 Å²	57.4	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-66	-28.3	-172.7	28.9	-37.8	0	0	0	113.4	V897 Q969	V897-P965 HydrophobicContact CG1-CB 3.61Å; V897-P965 HydrophobicContact CG1-CG 4.06Å; P965-Q969 WeakPolarHBondContact O-CB 3.45Å; P965-Q969 PolarHBondContact O-N 3.22Å
966	Y	88.1	Confident	86.1	Confident	65 Å²	65	54.4 Å²	54.4	26%	0.255	30%	0.301	S	S	.	.	H	α-helix	trans	-64.2	-39.7	173.3	-68.5	-77.4	0	0	0	112.2	V897 L939 N964 L970	V897-Y966 HydrophobicContact CG2-CD1 3.64Å; V897-Y966 HydrophobicContact CG2-CE1 3.2Å; V897-Y966 HydrophobicContact CG2-CE2 4.4Å; V897-Y966 HydrophobicContact CG2-CG 4.4Å; L939-Y966 HydrophobicContact CD2-CD1 3.45Å; L939-Y966 VanDerWaalsContact CD2-CD1 3.45Å; L939-Y966 HydrophobicContact CD2-CD2 4.19Å; L939-Y966 HydrophobicContact CD2-CE1 3.41Å; L939-Y966 VanDerWaalsContact CD2-CE1 3.41Å; L939-Y966 HydrophobicContact CD2-CE2 4.16Å; L939-Y966 HydrophobicContact CD2-CG 3.86Å; N964-Y966 VanDerWaalsContact C-N 3.3Å; N964-Y966 PolarHBondContact O-N 3.25Å; N964-Y966 WeakPolarHBondContact OD1-CB 3.37Å; N964-Y966 WeakPolarHBondContact OD1-CD2 3.43Å; N964-Y966 PolarHBondContact OD1-N 3.47Å; Y966-L970 WeakPolarHBondContact O-CB 3.32Å; Y966-L970 PolarHBondContact O-N 3.3Å
967	S	90.8	Very high	86.8	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-47	177	-170.3	0	0	0	0	111.3	G942 N964 Q969 L970 R971	G942-S967 WeakPolarHBondContact O-CB 3.44Å; N964-S967 PolarHBondContact O-N 2.94Å; N964-S967 VanDerWaalsContact O-N 3.11Å; S967-Q969 VanDerWaalsContact C-N 3.31Å; S967-Q969 PolarHBondContact O-N 2.92Å; S967-L970 PolarHBondContact O-N 3.11Å; S967-R971 VanDerWaalsContact O-CB 3.31Å; S967-R971 WeakPolarHBondContact O-CB 3.36Å; S967-R971 VanDerWaalsContact O-CD 3.27Å; S967-R971 WeakPolarHBondContact O-CD 3.21Å; S967-R971 WeakPolarHBondContact O-CG 3.28Å; S967-R971 PolarHBondContact O-N 2.92Å
968	Q	90.2	Very high	87.5	Confident	116 Å²	116	51.1 Å²	51.1	54%	0.542	28%	0.283	S	S	.	.	H	α-helix	trans	-57.1	-44.8	176.6	-67.4	177	-2.1	0	0	111.9	N964 R971 M972	N964-Q968 PolarHBondContact O-N 3.23Å; N964-Q968 VanDerWaalsContact O-N 3.15Å; Q968-R971 PolarHBondContact O-N 2.95Å; Q968-M972 PolarHBondContact O-N 3.32Å
969	Q	89.9	Confident	88	Confident	19 Å²	19	53.5 Å²	53.5	9%	0.089	29%	0.291	C	S	.	.	H	α-helix	trans	-70.6	-39.8	-178.7	-179.2	61.1	7.7	0	0	112.8	L895 S899 P965 S967 M972 I973	L895-Q969 HydrophobicContact CD1-CG 4.15Å; L895-Q969 HydrophobicContact CD2-CB 4.41Å; L895-Q969 HydrophobicContact CD2-CG 3.33Å; L895-Q969 HydrophobicContact CG-CG 4.33Å; S899-Q969 PolarHBondContact O-NE2 3.49Å; P965-Q969 WeakPolarHBondContact O-CB 3.45Å; P965-Q969 PolarHBondContact O-N 3.22Å; S967-Q969 VanDerWaalsContact C-N 3.31Å; S967-Q969 PolarHBondContact O-N 2.92Å; Q969-M972 PolarHBondContact O-N 2.68Å; Q969-I973 WeakPolarHBondContact O-CG1 3.39Å; Q969-I973 PolarHBondContact O-N 2.72Å
970	L	91.6	Very high	88.1	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-45.6	171	175.5	58.3	0	0	0	111.2	I892 L920 L929 I943 L959 Y966 S967 M972 I973 M974	I892-L970 HydrophobicContact CD1-CD1 4.03Å; I892-L970 HydrophobicContact CG1-CD1 4.2Å; I892-L970 HydrophobicContact CG2-CD1 4.1Å; L920-L970 HydrophobicContact CD2-CD1 4.36Å; L929-L970 HydrophobicContact CD1-CD2 4.27Å; L929-L970 HydrophobicContact CD2-CD2 4.06Å; I943-L970 HydrophobicContact CD1-CD2 4.09Å; I943-L970 HydrophobicContact CG1-CD2 4.3Å; I943-L970 HydrophobicContact CG2-CD2 3.8Å; L959-L970 HydrophobicContact CD1-CD2 4.3Å; Y966-L970 WeakPolarHBondContact O-CB 3.32Å; Y966-L970 PolarHBondContact O-N 3.3Å; S967-L970 PolarHBondContact O-N 3.11Å; L970-M972 VanDerWaalsContact C-N 3.32Å; L970-M972 PolarHBondContact O-N 3.21Å; L970-I973 PolarHBondContact O-N 3.34Å; L970-M974 HydrophobicContact CD1-CG 4.25Å; L970-M974 HydrophobicContact CD1-SD 4.18Å; L970-M974 HydrophobicContact CG-SD 3.93Å; L970-M974 VanDerWaalsContact O-CG 3.27Å; L970-M974 WeakPolarHBondContact O-CG 3.18Å; L970-M974 PolarHBondContact O-N 3.43Å
971	R	91.5	Very high	88.8	Confident	78 Å²	78	59.1 Å²	59.1	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-39.8	176.5	-74.1	159.9	152.8	-112	-7.9	112	L959 P960 E961 S967 Q968 M974 G975	L959-R971 PolarHBondContact O-NH2 3.38Å; P960-R971 PolarHBondContact O-NH2 2.81Å; P960-R971 VanDerWaalsContact O-NH2 3.13Å; E961-R971 IonicContact OE1-CZ 3.32Å; E961-R971 IonicContact OE1-NH1 3.06Å; E961-R971 PolarHBondContact OE1-NH1 2.88Å; E961-R971 IonicContact OE1-NH2 3.36Å; E961-R971 PolarHBondContact OE1-NH2 2.74Å; E961-R971 IonicContact OE2-NH1 3.51Å; S967-R971 VanDerWaalsContact O-CB 3.31Å; S967-R971 WeakPolarHBondContact O-CB 3.36Å; S967-R971 VanDerWaalsContact O-CD 3.27Å; S967-R971 WeakPolarHBondContact O-CD 3.21Å; S967-R971 WeakPolarHBondContact O-CG 3.28Å; S967-R971 PolarHBondContact O-N 2.92Å; Q968-R971 PolarHBondContact O-N 2.95Å; R971-M974 PolarHBondContact O-N 3.31Å; R971-G975 PolarHBondContact O-N 3.29Å
972	M	91.4	Very high	89.3	Confident	63 Å²	63	52.1 Å²	52.1	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-48.4	173.1	-174.8	-169.6	74.7	0	0	111.6	Q968 Q969 L970 M974 G975 I976	Q968-M972 PolarHBondContact O-N 3.32Å; Q969-M972 PolarHBondContact O-N 2.68Å; L970-M972 VanDerWaalsContact C-N 3.32Å; L970-M972 PolarHBondContact O-N 3.21Å; M972-M974 PolarHBondContact O-N 3.1Å; M972-G975 PolarHBondContact O-N 3.2Å; M972-I976 HydrophobicContact CE-CD1 4.2Å; M972-I976 HydrophobicContact CG-CD1 3.99Å; M972-I976 WeakPolarHBondContact O-CG1 2.76Å; M972-I976 PolarHBondContact O-N 3.39Å
973	I	91.8	Very high	90	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.8	-46.5	177.1	-72.7	171.8	0	0	0	111.2	L890 L895 L902 P903 L920 Q969 L970 G975 I976 I977	L890-I973 HydrophobicContact CD1-CG2 3.99Å; L895-I973 HydrophobicContact CD1-CD1 3.38Å; L895-I973 HydrophobicContact CG-CD1 4.46Å; L902-I973 HydrophobicContact CD2-CB 4.29Å; L902-I973 HydrophobicContact CD2-CG1 4.08Å; L902-I973 HydrophobicContact CD2-CG2 3.95Å; P903-I973 HydrophobicContact CG-CD1 4.35Å; L920-I973 HydrophobicContact CD2-CG2 4.03Å; Q969-I973 WeakPolarHBondContact O-CG1 3.39Å; Q969-I973 PolarHBondContact O-N 2.72Å; L970-I973 PolarHBondContact O-N 3.34Å; I973-G975 VanDerWaalsContact C-N 3.3Å; I973-G975 PolarHBondContact O-N 2.82Å; I973-I976 PolarHBondContact O-N 3.4Å; I973-I977 HydrophobicContact CG2-CD1 3.82Å; I973-I977 VanDerWaalsContact O-CG1 3.29Å; I973-I977 WeakPolarHBondContact O-CG1 3.45Å; I973-I977 PolarHBondContact O-N 2.9Å
974	M	93	Very high	90.9	Very high	29 Å²	29	48.9 Å²	48.9	14%	0.143	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-42.3	176.6	-65.8	167.6	68.5	0	0	111.4	L920 M927 L959 L970 R971 M972 I977 Q978 L987	L920-M974 HydrophobicContact CD1-CG 4.33Å; L920-M974 HydrophobicContact CD2-CG 3.9Å; M927-M974 HydrophobicContact CE-CB 4.28Å; M927-M974 HydrophobicContact CE-CG 4.42Å; M927-M974 HydrophobicContact SD-CB 3.94Å; M927-M974 HydrophobicContact SD-CE 3.66Å; M927-M974 HydrophobicContact SD-CG 3.67Å; M927-M974 HydrophobicContact SD-SD 4.44Å; L959-M974 HydrophobicContact CD1-CE 3.79Å; L959-M974 HydrophobicContact CD1-SD 3.51Å; L959-M974 VanDerWaalsContact CD1-SD 3.51Å; L970-M974 HydrophobicContact CD1-CG 4.25Å; L970-M974 HydrophobicContact CD1-SD 4.18Å; L970-M974 HydrophobicContact CG-SD 3.93Å; L970-M974 VanDerWaalsContact O-CG 3.27Å; L970-M974 WeakPolarHBondContact O-CG 3.18Å; L970-M974 PolarHBondContact O-N 3.43Å; R971-M974 PolarHBondContact O-N 3.31Å; M972-M974 PolarHBondContact O-N 3.1Å; M974-I977 PolarHBondContact O-N 3.39Å; M974-Q978 WeakPolarHBondContact O-CB 3.4Å; M974-Q978 PolarHBondContact O-N 2.92Å; M974-L987 HydrophobicContact CE-CD1 3.93Å; M974-L987 HydrophobicContact CE-CD2 4.05Å
975	G	92.6	Very high	91.3	Very high	40 Å²	40	47.5 Å²	47.5	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-61	-45	174.4	0	0	0	0	0	113.4	R971 M972 I973 I977 Q978 Q979	R971-G975 PolarHBondContact O-N 3.29Å; M972-G975 PolarHBondContact O-N 3.2Å; I973-G975 VanDerWaalsContact C-N 3.3Å; I973-G975 PolarHBondContact O-N 2.82Å; G975-I977 PolarHBondContact O-N 2.86Å; G975-Q978 PolarHBondContact O-N 2.95Å; G975-Q979 WeakPolarHBondContact O-CB 3.4Å; G975-Q979 PolarHBondContact O-N 3.44Å
976	I	92.1	Very high	91.5	Very high	58 Å²	58	46.9 Å²	46.9	30%	0.297	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-43.2	177.8	-66.9	163.5	0	0	0	111.1	L902 M972 I973 Q978 Q979	L902-I976 HydrophobicContact CD1-CG2 3.99Å; L902-I976 HydrophobicContact CD2-CB 4.16Å; L902-I976 HydrophobicContact CD2-CD1 4.28Å; L902-I976 HydrophobicContact CD2-CG2 3.92Å; L902-I976 HydrophobicContact CG-CG2 4.14Å; M972-I976 HydrophobicContact CE-CD1 4.2Å; M972-I976 HydrophobicContact CG-CD1 3.99Å; M972-I976 WeakPolarHBondContact O-CG1 2.76Å; M972-I976 PolarHBondContact O-N 3.39Å; I973-I976 PolarHBondContact O-N 3.4Å; I976-Q978 VanDerWaalsContact C-N 3.3Å; I976-Q978 PolarHBondContact O-N 3.5Å; I976-Q979 PolarHBondContact O-N 2.91Å
977	I	93.3	Very high	91.8	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-64.8	-37.6	177.1	-59.5	162.5	0	0	0	110.4	L890 L920 A922 M927 I973 M974 G975 R981 M985	L890-I977 HydrophobicContact CD1-CD1 3.87Å; L920-I977 HydrophobicContact CD2-CD1 3.69Å; A922-I977 HydrophobicContact CB-CG2 3.86Å; M927-I977 HydrophobicContact CE-CB 4.14Å; M927-I977 HydrophobicContact CE-CD1 4.32Å; M927-I977 HydrophobicContact CE-CG2 4.11Å; I973-I977 HydrophobicContact CG2-CD1 3.82Å; I973-I977 VanDerWaalsContact O-CG1 3.29Å; I973-I977 WeakPolarHBondContact O-CG1 3.45Å; I973-I977 PolarHBondContact O-N 2.9Å; M974-I977 PolarHBondContact O-N 3.39Å; G975-I977 PolarHBondContact O-N 2.86Å; I977-R981 VanDerWaalsContact O-CG 3.27Å; I977-R981 WeakPolarHBondContact O-CG 3.2Å; I977-M985 HydrophobicContact CG2-CE 4.03Å
978	Q	93.9	Very high	92	Very high	51 Å²	51	46.7 Å²	46.7	24%	0.238	23%	0.229	C	C	.	.	H	α-helix	trans	-72.7	-32.5	179	-174.4	59.8	76.2	0	0	113.7	M974 G975 I976 K980 R981 Y983 M985	M974-Q978 WeakPolarHBondContact O-CB 3.4Å; M974-Q978 PolarHBondContact O-N 2.92Å; G975-Q978 PolarHBondContact O-N 2.95Å; I976-Q978 VanDerWaalsContact C-N 3.3Å; I976-Q978 PolarHBondContact O-N 3.5Å; Q978-K980 PolarHBondContact O-N 3.33Å; Q978-K980 VanDerWaalsContact O-N 3.1Å; Q978-R981 PolarHBondContact NE2-O 3.11Å; Q978-R981 PolarHBondContact O-N 3.24Å; Q978-Y983 PolarHBondContact NE2-O 3.33Å; Q978-M985 HydrophobicContact CB-CE 4.02Å; Q978-M985 HydrophobicContact CG-CE 4.49Å; Q978-M985 VanDerWaalsContact OE1-CE 3.23Å
979	Q	87.2	Confident	92.2	Very high	159 Å²	159	41.4 Å²	41.4	74%	0.743	20%	0.204	S	C	*	.	H	α-helix	trans	-57.5	-30.5	-171.6	-169.1	-177.1	19.4	0	0	114.2	G975 I976	G975-Q979 WeakPolarHBondContact O-CB 3.4Å; G975-Q979 PolarHBondContact O-N 3.44Å; I976-Q979 PolarHBondContact O-N 2.91Å
980	K	79.9	Confident	92.5	Very high	119 Å²	119	40.5 Å²	40.5	52%	0.517	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	18.6	179.8	-62.5	-176.9	-177.6	176.5	0	113.2	D298 Q978	D298-K980 IonicContact OD1-NZ 2.93Å; D298-K980 PolarHBondContact OD1-NZ 3.46Å; D298-K980 IonicContact OD2-NZ 3.93Å; D298-K980 PolarHBondContact OD2-NZ 3.41Å; Q978-K980 PolarHBondContact O-N 3.33Å; Q978-K980 VanDerWaalsContact O-N 3.1Å
981	R	93.4	Very high	92.7	Very high	49 Å²	49	41 Å²	41	19%	0.185	20%	0.202	C	C	.	.			trans	-127.9	131.4	-171.8	-57.5	-62.5	165.9	-167.8	7.2	112.6	A879 D880 L883 I977 Q978	A879-R981 PolarHBondContact O-NH1 2.72Å; A879-R981 PolarHBondContact O-NH2 3.49Å; D880-R981 IonicContact OD1-NH1 2.77Å; D880-R981 PolarHBondContact OD1-NH1 3.1Å; D880-R981 VanDerWaalsContact OD1-NH1 3.13Å; L883-R981 VanDerWaalsContact CD2-NE 3.34Å; I977-R981 VanDerWaalsContact O-CG 3.27Å; I977-R981 WeakPolarHBondContact O-CG 3.2Å; Q978-R981 PolarHBondContact NE2-O 3.11Å; Q978-R981 PolarHBondContact O-N 3.24Å
982	P	91.6	Very high	92.8	Very high	20 Å²	20	38.4 Å²	38.4	13%	0.13	19%	0.194	C	C	.	.	S	Bend	trans	-82.2	-15.4	-169.1	33.3	-37.7	0	0	0	114.8	N679 D724	N679-P982 PolarHBondContact ND2-O 3.37Å; D724-P982 HydrophobicContact CB-CB 3.94Å; D724-P982 HydrophobicContact CB-CG 4.36Å; D724-P982 VanDerWaalsContact CG-CB 3.4Å; D724-P982 WeakPolarHBondContact OD2-CB 3.39Å
983	Y	95.8	Very high	92.6	Very high	23 Å²	23	43.4 Å²	43.4	9%	0.09	21%	0.209	C	C	.	.	S	Bend	trans	-107.9	133.8	171.5	-57.1	-82.6	0	0	0	108.3	T657 Y659 L872 L925 Q978 M985	T657-Y983 HydrophobicContact CG2-CE1 3.77Å; Y659-Y983 AromaticContact CD1-CD1 3.69Å; Y659-Y983 HydrophobicContact CD1-CD1 3.69Å; Y659-Y983 AromaticContact CD1-CE1 3.94Å; Y659-Y983 HydrophobicContact CD1-CE1 3.94Å; Y659-Y983 AromaticContact CE1-CD1 3.44Å; Y659-Y983 HydrophobicContact CE1-CD1 3.44Å; Y659-Y983 VanDerWaalsContact CE1-CD1 3.44Å; Y659-Y983 AromaticContact CE1-CE1 3.68Å; Y659-Y983 HydrophobicContact CE1-CE1 3.68Å; L872-Y983 HydrophobicContact CD2-CE1 4.01Å; L872-Y983 HydrophobicContact CD2-CE2 4.03Å; L872-Y983 WeakPolarHBondContact CD2-OH 3.4Å; L925-Y983 HydrophobicContact CD2-CD2 3.65Å; L925-Y983 HydrophobicContact CD2-CE2 4.34Å; L925-Y983 HydrophobicContact CD2-CG 3.85Å; Q978-Y983 PolarHBondContact NE2-O 3.33Å; Y983-M985 PolarHBondContact O-N 3.42Å
984	S	95.1	Very high	92.4	Very high	12 Å²	12	46.2 Å²	46.2	8%	0.084	22%	0.222	C	C	.	.			trans	-70.8	127.4	167.8	64.4	0	0	0	0	109.4	Q672 D676	Q672-S984 WeakPolarHBondContact CA-OG 3.44Å; Q672-S984 WeakPolarHBondContact CG-O 3.27Å; Q672-S984 WeakPolarHBondContact CG-OG 3.33Å; Q672-S984 PolarHBondContact NE2-O 2.93Å; Q672-S984 PolarHBondContact O-OG 3.49Å; D676-S984 VanDerWaalsContact CG-OG 3.24Å; D676-S984 WeakPolarHBondContact OD1-CB 3.39Å; D676-S984 PolarHBondContact OD1-N 3.01Å; D676-S984 PolarHBondContact OD1-OG 3.14Å
985	M	95.9	Very high	91.8	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.089	25%	0.251	C	S	.	.			trans	-78.4	133.5	-170.7	-71.7	172.9	-79.7	0	0	111.3	A922 L925 M927 I977 Q978 Y983 L987	A922-M985 HydrophobicContact CB-SD 4.05Å; L925-M985 VanDerWaalsContact O-CA 3.29Å; L925-M985 WeakPolarHBondContact O-CA 3.41Å; M927-M985 HydrophobicContact CB-CB 3.97Å; M927-M985 HydrophobicContact CB-SD 4.42Å; M927-M985 HydrophobicContact CE-CE 3.57Å; M927-M985 HydrophobicContact CE-SD 4.14Å; I977-M985 HydrophobicContact CG2-CE 4.03Å; Q978-M985 HydrophobicContact CB-CE 4.02Å; Q978-M985 HydrophobicContact CG-CE 4.49Å; Q978-M985 VanDerWaalsContact OE1-CE 3.23Å; Y983-M985 PolarHBondContact O-N 3.42Å; M985-L987 PolarHBondContact O-N 2.79Å; M985-L987 VanDerWaalsContact O-N 3.14Å
986	K	93.5	Very high	91.5	Very high	52 Å²	52	52.5 Å²	52.5	23%	0.226	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	113.4	170.2	-177.9	150.1	179.2	158.7	0	108.6	D669 L925 M927	D669-K986 VanDerWaalsContact OD1-CE 3.27Å; D669-K986 WeakPolarHBondContact OD1-CE 3.49Å; D669-K986 IonicContact OD1-NZ 3.91Å; D669-K986 PolarHBondContact OD1-NZ 3.39Å; D669-K986 IonicContact OD2-NZ 3.3Å; D669-K986 PolarHBondContact OD2-NZ 2.79Å; L925-K986 PolarHBondContact O-N 3.11Å; M927-K986 PolarHBondContact N-O 3.32Å
987	L	93.9	Very high	91.5	Very high	28 Å²	28	50 Å²	50	15%	0.147	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	146.7	170	-175.6	58.3	0	0	0	109.2	M927 L929 T957 L959 M974 M985	M927-L987 HydrophobicContact CG-CD1 4.19Å; M927-L987 CarbonylContact O-C 3.54Å; M927-L987 VanDerWaalsContact O-CA 3.25Å; M927-L987 WeakPolarHBondContact O-CA 3.45Å; M927-L987 WeakPolarHBondContact O-CD1 3.48Å; L929-L987 HydrophobicContact CB-CD1 4.41Å; T957-L987 HydrophobicContact CG2-CG 4.41Å; T957-L987 VanDerWaalsContact CG2-O 3.22Å; T957-L987 WeakPolarHBondContact CG2-O 3.23Å; L959-L987 HydrophobicContact CD1-CD2 4.45Å; L959-L987 HydrophobicContact CG-CD2 3.97Å; M974-L987 HydrophobicContact CE-CD1 3.93Å; M974-L987 HydrophobicContact CE-CD2 4.05Å; M985-L987 PolarHBondContact O-N 2.79Å; M985-L987 VanDerWaalsContact O-N 3.14Å
988	T	94.1	Very high	91.3	Very high	33 Å²	33	52.9 Å²	52.9	20%	0.202	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	114.9	172.4	-60.6	0	0	0	0	108.8	M927 F928 L929 V990	M927-T988 PolarHBondContact O-N 2.92Å; F928-T988 CarbonylContact C-O 3.36Å; F928-T988 VanDerWaalsContact CA-O 3.28Å; F928-T988 WeakPolarHBondContact CA-O 3.45Å; F928-T988 HydrophobicContact CD1-CG2 3.79Å; F928-T988 HydrophobicContact CE1-CG2 3.89Å; L929-T988 PolarHBondContact N-O 2.84Å; T988-V990 HydrophobicContact CG2-CG2 3.98Å
989	I	95	Very high	91.2	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.7	174.2	-59.9	167.4	0	0	0	107.2	L931 F944 I952 T954 M956 T957	L931-I989 HydrophobicContact CD1-CG2 3.81Å; F944-I989 HydrophobicContact CE1-CD1 3.93Å; F944-I989 HydrophobicContact CE1-CG1 4.36Å; F944-I989 HydrophobicContact CE1-CG2 4.38Å; I952-I989 HydrophobicContact CG2-CG2 4.1Å; T954-I989 HydrophobicContact CG2-CG2 4.26Å; M956-I989 WeakPolarHBondContact O-CD1 3.38Å; T957-I989 HydrophobicContact CG2-CG1 4.36Å
990	V	95.9	Very high	91.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.8	-177	-178.2	0	0	0	0	109.4	F928 L929 W930 L931 T988 P996 E997 F1000	F928-V990 HydrophobicContact CB-CG2 4.47Å; F928-V990 HydrophobicContact CD1-CG2 3.83Å; L929-V990 PolarHBondContact O-N 2.75Å; W930-V990 CarbonylContact C-O 3.52Å; W930-V990 WeakPolarHBondContact CA-O 3.4Å; W930-V990 HydrophobicContact CB-CB 4.44Å; L931-V990 PolarHBondContact N-O 3.46Å; T988-V990 HydrophobicContact CG2-CG2 3.98Å; V990-P996 HydrophobicContact CG2-CB 4.48Å; V990-E997 HydrophobicContact CG1-CB 3.92Å; V990-E997 HydrophobicContact CG1-CG 4.31Å; V990-F1000 HydrophobicContact CG1-CB 4.18Å; V990-F1000 HydrophobicContact CG1-CG 4.49Å; V990-F1000 HydrophobicContact CG2-CB 4.16Å
991	K	95.2	Very high	92.2	Very high	13 Å²	13	44.1 Å²	44.1	6%	0.057	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.3	173.1	-72.4	166.6	73.9	-161	0	108.8	L931 F949 I952 T954 E994	L931-K991 HydrophobicContact CD1-CG 4.09Å; F949-K991 HydrophobicContact CE1-CB 4.46Å; F949-K991 HydrophobicContact CE2-CB 3.92Å; F949-K991 HydrophobicContact CE2-CG 3.83Å; F949-K991 HydrophobicContact CZ-CB 3.61Å; F949-K991 HydrophobicContact CZ-CG 3.93Å; F949-K991 VanDerWaalsContact O-CE 3.22Å; F949-K991 WeakPolarHBondContact O-CE 3.26Å; I952-K991 HydrophobicContact CB-CD 4.06Å; I952-K991 HydrophobicContact CG2-CD 4.18Å; I952-K991 WeakPolarHBondContact O-CD 3.31Å; I952-K991 WeakPolarHBondContact O-CE 3.45Å; I952-K991 PolarHBondContact O-NZ 2.92Å; T954-K991 HydrophobicContact CG2-CB 4.19Å; T954-K991 HydrophobicContact CG2-CD 3.69Å; T954-K991 HydrophobicContact CG2-CG 3.84Å; K991-E994 HydrophobicContact CB-CB 4.39Å; K991-E994 VanDerWaalsContact CB-CD 3.5Å; K991-E994 HydrophobicContact CB-CG 3.98Å; K991-E994 WeakPolarHBondContact CD-OE1 3.41Å; K991-E994 WeakPolarHBondContact CE-OE1 3.43Å; K991-E994 IonicContact NZ-OE1 3.13Å; K991-E994 PolarHBondContact NZ-OE1 2.87Å; K991-E994 WeakPolarHBondContact O-CB 3.24Å; K991-E994 PolarHBondContact O-N 2.91Å; K991-E994 VanDerWaalsContact O-N 3.16Å
992	Q	93.6	Very high	92.1	Very high	23 Å²	23	45 Å²	45	11%	0.107	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	140.2	-178.8	-172.5	-165.2	7.5	0	0	110.7	E915 W930 L931 V933 E994 E997	E915-Q992 PolarHBondContact OE1-NE2 2.96Å; W930-Q992 HydrophobicContact CH2-CB 4.39Å; W930-Q992 HydrophobicContact CH2-CG 4.27Å; W930-Q992 HydrophobicContact CZ2-CB 3.73Å; W930-Q992 HydrophobicContact CZ2-CG 3.54Å; L931-Q992 VanDerWaalsContact O-CB 3.3Å; L931-Q992 WeakPolarHBondContact O-CB 3.27Å; L931-Q992 PolarHBondContact O-N 3.39Å; V933-Q992 HydrophobicContact CG1-CB 4.03Å; V933-Q992 HydrophobicContact CG1-CG 4.36Å; Q992-E994 PolarHBondContact O-N 2.87Å; Q992-E997 WeakPolarHBondContact CA-OE1 3.43Å; Q992-E997 WeakPolarHBondContact CG-OE1 3.47Å
993	R	88.8	Confident	92.3	Very high	167 Å²	167	45.4 Å²	45.4	63%	0.63	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.6	2	-176.6	-37.6	-174.5	-175	168.3	0.9	115.7	E915 V933 E997	E915-R993 IonicContact OE1-CZ 2.87Å; E915-R993 IonicContact OE1-NE 2.85Å; E915-R993 IonicContact OE1-NH2 2.68Å; E915-R993 PolarHBondContact OE1-NH2 3.36Å; E915-R993 IonicContact OE2-NH2 3.88Å; E915-R993 PolarHBondContact OE2-NH2 2.74Å; V933-R993 HydrophobicContact CG1-CG 4.12Å; R993-E997 PolarHBondContact N-OE2 2.9Å
994	E	87.3	Confident	92.4	Very high	60 Å²	60	44.4 Å²	44.4	28%	0.28	21%	0.21	S	C	.	.	S	Bend	trans	-91	160.4	168.5	-65.3	-175.3	-172.3	0	0	112.3	T954 K991 Q992 P996 E997	T954-E994 PolarHBondContact OG1-OE2 3.23Å; K991-E994 HydrophobicContact CB-CB 4.39Å; K991-E994 VanDerWaalsContact CB-CD 3.5Å; K991-E994 HydrophobicContact CB-CG 3.98Å; K991-E994 WeakPolarHBondContact CD-OE1 3.41Å; K991-E994 WeakPolarHBondContact CE-OE1 3.43Å; K991-E994 IonicContact NZ-OE1 3.13Å; K991-E994 PolarHBondContact NZ-OE1 2.87Å; K991-E994 WeakPolarHBondContact O-CB 3.24Å; K991-E994 PolarHBondContact O-N 2.91Å; K991-E994 VanDerWaalsContact O-N 3.16Å; Q992-E994 PolarHBondContact O-N 2.87Å; E994-P996 VanDerWaalsContact C-CD 3.4Å; E994-E997 WeakPolarHBondContact O-CB 3.23Å; E994-E997 PolarHBondContact O-N 3.47Å; E994-E997 VanDerWaalsContact O-N 3.09Å
995	Q	80.5	Confident	92.4	Very high	158 Å²	158	44.5 Å²	44.5	74%	0.738	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.7	-176.5	-67.3	-72.7	12.2	0	0	115.8	E997 M998	Q995-E997 PolarHBondContact O-N 3.45Å; Q995-E997 VanDerWaalsContact O-N 3.08Å; Q995-M998 WeakPolarHBondContact O-CB 3.44Å; Q995-M998 PolarHBondContact O-N 3.08Å; Q995-M998 VanDerWaalsContact O-N 3.07Å
996	P	86.4	Confident	92.5	Very high	43 Å²	43	44.2 Å²	44.2	28%	0.279	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.8	177.7	-26	36.4	0	0	0	114.2	V990 E994 M998 V999 F1000	V990-P996 HydrophobicContact CG2-CB 4.48Å; E994-P996 VanDerWaalsContact C-CD 3.4Å; P996-M998 PolarHBondContact O-N 3.45Å; P996-V999 PolarHBondContact O-N 3.49Å; P996-F1000 PolarHBondContact O-N 3.48Å
997	E	91.8	Very high	92.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-27	176.5	-167.6	176.7	-119.3	0	0	112.5	W930 V990 Q992 R993 E994 Q995 V999 F1000 R1001	W930-E997 PolarHBondContact NE1-OE1 3.04Å; V990-E997 HydrophobicContact CG1-CB 3.92Å; V990-E997 HydrophobicContact CG1-CG 4.31Å; Q992-E997 WeakPolarHBondContact CA-OE1 3.43Å; Q992-E997 WeakPolarHBondContact CG-OE1 3.47Å; R993-E997 PolarHBondContact N-OE2 2.9Å; E994-E997 WeakPolarHBondContact O-CB 3.23Å; E994-E997 PolarHBondContact O-N 3.47Å; E994-E997 VanDerWaalsContact O-N 3.09Å; Q995-E997 PolarHBondContact O-N 3.45Å; Q995-E997 VanDerWaalsContact O-N 3.08Å; E997-V999 PolarHBondContact O-N 3.48Å; E997-F1000 HydrophobicContact CG-CD1 4.27Å; E997-F1000 PolarHBondContact O-N 3.21Å; E997-R1001 HydrophobicContact CG-CG 4.16Å; E997-R1001 WeakPolarHBondContact O-CG 3.37Å; E997-R1001 PolarHBondContact O-N 2.85Å; E997-R1001 IonicContact OE2-CZ 2.72Å; E997-R1001 IonicContact OE2-NE 2.72Å; E997-R1001 PolarHBondContact OE2-NE 2.04Å; E997-R1001 IonicContact OE2-NH2 3.34Å; E997-R1001 PolarHBondContact OE2-NH2 3.04Å
998	M	89.6	Confident	92.5	Very high	73 Å²	73	48.3 Å²	48.3	36%	0.36	23%	0.226	S	C	.	.	H	α-helix	trans	-70	-17.7	176.3	-57.8	-59.9	156.4	0	0	113.2	Q995 P996 Q1002 L1010	Q995-M998 WeakPolarHBondContact O-CB 3.44Å; Q995-M998 PolarHBondContact O-N 3.08Å; Q995-M998 VanDerWaalsContact O-N 3.07Å; P996-M998 PolarHBondContact O-N 3.45Å; M998-Q1002 PolarHBondContact O-NE2 3.16Å; M998-L1010 HydrophobicContact CB-CD1 4.32Å; M998-L1010 VanDerWaalsContact O-CD1 3.24Å; M998-L1010 WeakPolarHBondContact O-CD1 3.43Å; M998-L1010 HydrophobicContact SD-CD1 4.19Å
999	V	90.6	Very high	91.7	Very high	72 Å²	72	47.6 Å²	47.6	44%	0.436	23%	0.226	S	C	.	.	H	α-helix	trans	-83.7	-48.7	168.5	-177.5	0	0	0	0	109.7	F928 P996 E997 R1001 Q1002 F1003	F928-V999 HydrophobicContact CE1-CG1 4.16Å; F928-V999 HydrophobicContact CZ-CG1 4.15Å; P996-V999 PolarHBondContact O-N 3.49Å; E997-V999 PolarHBondContact O-N 3.48Å; V999-R1001 PolarHBondContact O-N 3.44Å; V999-Q1002 VanDerWaalsContact O-CB 3.29Å; V999-Q1002 WeakPolarHBondContact O-CB 3.43Å; V999-Q1002 WeakPolarHBondContact O-CG 3.31Å; V999-Q1002 PolarHBondContact O-N 2.8Å; V999-Q1002 VanDerWaalsContact O-N 3.13Å; V999-F1003 HydrophobicContact CG1-CE2 4.32Å; V999-F1003 WeakPolarHBondContact O-CD2 3.47Å
1000	F	94.4	Very high	90.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.9	-45	178.7	166.9	-103.6	0	0	0	113.7	L913 L921 F928 W930 V990 P996 E997 Q1002 F1003 L1004	L913-F1000 HydrophobicContact CD1-CE1 3.79Å; L913-F1000 HydrophobicContact CD1-CZ 4.17Å; L913-F1000 HydrophobicContact CD2-CZ 4.47Å; L921-F1000 HydrophobicContact CB-CD2 4.5Å; L921-F1000 HydrophobicContact CB-CE2 3.84Å; L921-F1000 HydrophobicContact CD1-CD2 4.47Å; L921-F1000 HydrophobicContact CD1-CE2 3.9Å; L921-F1000 HydrophobicContact CG-CE2 4.44Å; F928-F1000 HydrophobicContact CB-CD2 3.65Å; F928-F1000 HydrophobicContact CB-CE2 4.17Å; F928-F1000 HydrophobicContact CD1-CB 4.16Å; F928-F1000 HydrophobicContact CD1-CD2 4.31Å; F928-F1000 HydrophobicContact CD2-CD2 4.33Å; F928-F1000 HydrophobicContact CE1-CB 4.48Å; F928-F1000 AromaticContact CG-CD2 3.86Å; F928-F1000 HydrophobicContact CG-CD2 3.86Å; W930-F1000 HydrophobicContact CB-CE1 4.22Å; W930-F1000 HydrophobicContact CB-CE2 3.98Å; W930-F1000 HydrophobicContact CB-CZ 3.81Å; W930-F1000 AromaticContact CD1-CD1 3.5Å; W930-F1000 AromaticContact CD1-CE1 3.27Å; W930-F1000 AromaticContact CD1-CZ 3.79Å; W930-F1000 HydrophobicContact CD2-CE1 4.5Å; W930-F1000 HydrophobicContact CG-CD1 4.33Å; W930-F1000 AromaticContact CG-CE1 3.78Å; W930-F1000 HydrophobicContact CG-CE1 3.78Å; W930-F1000 HydrophobicContact CG-CE2 4.43Å; W930-F1000 AromaticContact CG-CZ 3.83Å; W930-F1000 HydrophobicContact CG-CZ 3.83Å; W930-F1000 AromaticContact NE1-CE1 3.73Å; V990-F1000 HydrophobicContact CG1-CB 4.18Å; V990-F1000 HydrophobicContact CG1-CG 4.49Å; V990-F1000 HydrophobicContact CG2-CB 4.16Å; P996-F1000 PolarHBondContact O-N 3.48Å; E997-F1000 HydrophobicContact CG-CD1 4.27Å; E997-F1000 PolarHBondContact O-N 3.21Å; F1000-Q1002 PolarHBondContact O-N 3.04Å; F1000-F1003 WeakPolarHBondContact O-CB 3.34Å; F1000-F1003 PolarHBondContact O-N 3.29Å; F1000-L1004 HydrophobicContact CE1-CD1 4.01Å; F1000-L1004 HydrophobicContact CE1-CD2 4.42Å; F1000-L1004 HydrophobicContact CE1-CG 4.44Å; F1000-L1004 HydrophobicContact CZ-CD2 4.2Å
1001	R	93.3	Very high	89.7	Confident	73 Å²	73	54.6 Å²	54.6	28%	0.275	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-60.7	-17.8	179.2	-73.6	-179	-164.7	-129	11.6	113.9	E910 E997 V999 F1003 L1004 L1010	E910-R1001 IonicContact OE2-CZ 3.99Å; E910-R1001 IonicContact OE2-NH1 2.7Å; E910-R1001 PolarHBondContact OE2-NH1 3.32Å; E997-R1001 HydrophobicContact CG-CG 4.16Å; E997-R1001 WeakPolarHBondContact O-CG 3.37Å; E997-R1001 PolarHBondContact O-N 2.85Å; E997-R1001 IonicContact OE2-CZ 2.72Å; E997-R1001 IonicContact OE2-NE 2.72Å; E997-R1001 PolarHBondContact OE2-NE 2.04Å; E997-R1001 IonicContact OE2-NH2 3.34Å; E997-R1001 PolarHBondContact OE2-NH2 3.04Å; V999-R1001 PolarHBondContact O-N 3.44Å; R1001-F1003 PolarHBondContact O-N 2.95Å; R1001-L1004 HydrophobicContact CG-CD1 4.18Å; R1001-L1004 PolarHBondContact O-N 3.41Å; R1001-L1010 HydrophobicContact CB-CD1 3.83Å; R1001-L1010 HydrophobicContact CB-CG 4.32Å
1002	Q	92.3	Very high	88.7	Confident	67 Å²	67	55.2 Å²	55.2	31%	0.313	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-65.4	-28.3	173.3	-57.1	179.1	39.7	0	0	112.1	M998 V999 F1000 Y1011	M998-Q1002 PolarHBondContact O-NE2 3.16Å; V999-Q1002 VanDerWaalsContact O-CB 3.29Å; V999-Q1002 WeakPolarHBondContact O-CB 3.43Å; V999-Q1002 WeakPolarHBondContact O-CG 3.31Å; V999-Q1002 PolarHBondContact O-N 2.8Å; V999-Q1002 VanDerWaalsContact O-N 3.13Å; F1000-Q1002 PolarHBondContact O-N 3.04Å; Q1002-Y1011 HydrophobicContact CG-CD2 4.45Å; Q1002-Y1011 HydrophobicContact CG-CE2 3.93Å
1003	F	96	Very high	88.2	Confident	30 Å²	30	55.7 Å²	55.7	13%	0.132	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-89.2	-2.9	-179.6	-58.1	-90.9	0	0	0	113.1	P887 L921 N923 F928 V999 F1000 R1001 V1005	P887-F1003 HydrophobicContact CG-CB 4.24Å; P887-F1003 HydrophobicContact CG-CD1 4.43Å; L921-F1003 HydrophobicContact CD1-CB 3.94Å; L921-F1003 HydrophobicContact CD2-CB 3.61Å; L921-F1003 HydrophobicContact CD2-CG 4.15Å; L921-F1003 HydrophobicContact CG-CB 4.48Å; N923-F1003 HydrophobicContact CB-CD1 4.3Å; F928-F1003 HydrophobicContact CD2-CD2 4.4Å; F928-F1003 HydrophobicContact CE2-CD1 4.41Å; F928-F1003 AromaticContact CE2-CD2 3.48Å; F928-F1003 HydrophobicContact CE2-CD2 3.48Å; F928-F1003 VanDerWaalsContact CE2-CD2 3.48Å; F928-F1003 HydrophobicContact CE2-CE1 4.4Å; F928-F1003 AromaticContact CE2-CE2 3.49Å; F928-F1003 HydrophobicContact CE2-CE2 3.49Å; F928-F1003 VanDerWaalsContact CE2-CE2 3.49Å; F928-F1003 AromaticContact CE2-CG 3.98Å; F928-F1003 HydrophobicContact CE2-CG 3.98Å; F928-F1003 AromaticContact CE2-CZ 3.96Å; F928-F1003 HydrophobicContact CE2-CZ 3.96Å; F928-F1003 AromaticContact CZ-CD2 3.74Å; F928-F1003 HydrophobicContact CZ-CD2 3.74Å; F928-F1003 AromaticContact CZ-CE2 3.4Å; F928-F1003 HydrophobicContact CZ-CE2 3.4Å; F928-F1003 VanDerWaalsContact CZ-CE2 3.4Å; F928-F1003 HydrophobicContact CZ-CZ 4.06Å; V999-F1003 HydrophobicContact CG1-CE2 4.32Å; V999-F1003 WeakPolarHBondContact O-CD2 3.47Å; F1000-F1003 WeakPolarHBondContact O-CB 3.34Å; F1000-F1003 PolarHBondContact O-N 3.29Å; R1001-F1003 PolarHBondContact O-N 2.95Å; F1003-V1005 PolarHBondContact O-N 3.48Å
1004	L	96.9	Very high	88.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.262	C	S	.	.			trans	-81	73.9	167.4	-56.6	178.2	0	0	0	108.4	K851 L889 C908 E910 L913 L921 F1000 R1001 E1006 D1007	K851-L1004 PolarHBondContact NZ-O 2.91Å; L889-L1004 HydrophobicContact CD2-CD2 4.25Å; C908-L1004 CarbonylContact O-C 3.59Å; C908-L1004 WeakPolarHBondContact O-CA 3.37Å; E910-L1004 HydrophobicContact CB-CD1 3.89Å; L913-L1004 HydrophobicContact CD1-CD1 4.1Å; L921-L1004 HydrophobicContact CD1-CD2 4.02Å; F1000-L1004 HydrophobicContact CE1-CD1 4.01Å; F1000-L1004 HydrophobicContact CE1-CD2 4.42Å; F1000-L1004 HydrophobicContact CE1-CG 4.44Å; F1000-L1004 HydrophobicContact CZ-CD2 4.2Å; R1001-L1004 HydrophobicContact CG-CD1 4.18Å; R1001-L1004 PolarHBondContact O-N 3.41Å; L1004-E1006 VanDerWaalsContact C-N 3.28Å; L1004-E1006 PolarHBondContact O-N 3.48Å; L1004-D1007 WeakPolarHBondContact CB-OD2 3.07Å; L1004-D1007 PolarHBondContact O-N 3.16Å
1005	V	96.4	Very high	88.7	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.085	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.8	-163.2	-65.2	0	0	0	0	114.9	C848 K851 Y886 P887 C908 F1003	C848-V1005 HydrophobicContact CB-CB 4.36Å; C848-V1005 VanDerWaalsContact SG-CG2 3.54Å; K851-V1005 VanDerWaalsContact NZ-C 3.26Å; K851-V1005 PolarHBondContact NZ-O 3.46Å; Y886-V1005 HydrophobicContact CD2-CG2 3.59Å; Y886-V1005 HydrophobicContact CE2-CG2 3.94Å; Y886-V1005 HydrophobicContact CG-CG2 4.33Å; P887-V1005 HydrophobicContact CG-CG1 4.47Å; C908-V1005 HydrophobicContact CB-CG2 3.8Å; C908-V1005 PolarHBondContact O-N 2.88Å; F1003-V1005 PolarHBondContact O-N 3.48Å
1006	E	96.6	Very high	89.5	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.056	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-23.3	176.2	-63.8	-168.4	-132.7	0	0	113.8	V844 Y886 R907 C908 L1004 S1015 Y1016	V844-E1006 HydrophobicContact CG2-CG 4.14Å; Y886-E1006 HydrophobicContact CE2-CG 3.92Å; Y886-E1006 WeakPolarHBondContact CE2-OE1 3.39Å; Y886-E1006 PolarHBondContact OH-OE1 3.46Å; R907-E1006 WeakPolarHBondContact CB-OE1 3.4Å; R907-E1006 IonicContact CZ-OE2 3.03Å; R907-E1006 VanDerWaalsContact CZ-OE2 3.29Å; R907-E1006 IonicContact NE-OE1 2.7Å; R907-E1006 PolarHBondContact NE-OE1 3.34Å; R907-E1006 IonicContact NE-OE2 3.69Å; R907-E1006 PolarHBondContact NE-OE2 3.13Å; R907-E1006 IonicContact NH2-OE2 2.62Å; R907-E1006 PolarHBondContact NH2-OE2 3.14Å; C908-E1006 WeakPolarHBondContact O-CB 3.23Å; C908-E1006 PolarHBondContact O-N 3.5Å; L1004-E1006 VanDerWaalsContact C-N 3.28Å; L1004-E1006 PolarHBondContact O-N 3.48Å; E1006-S1015 CarbonylContact O-C 3.51Å; E1006-S1015 WeakPolarHBondContact O-CA 3.44Å; E1006-S1015 WeakPolarHBondContact O-CB 3.32Å; E1006-Y1016 PolarHBondContact O-N 3.45Å
1007	D	95.1	Very high	89.8	Confident	29 Å²	29	40.1 Å²	40.1	16%	0.155	22%	0.219	C	C	.	.	S	Bend	trans	-76.5	179.7	-175.6	-63.1	-33.5	0	0	0	113.4	K851 S909 E910 L1004 G1009 S1015	K851-D1007 PolarHBondContact NZ-O 3.37Å; S909-D1007 VanDerWaalsContact CA-OD2 3.23Å; S909-D1007 WeakPolarHBondContact CA-OD2 3.23Å; S909-D1007 VanDerWaalsContact CB-OD1 3.26Å; S909-D1007 WeakPolarHBondContact CB-OD1 3.46Å; S909-D1007 PolarHBondContact OG-OD1 2.73Å; E910-D1007 PolarHBondContact N-OD2 2.8Å; L1004-D1007 WeakPolarHBondContact CB-OD2 3.07Å; L1004-D1007 PolarHBondContact O-N 3.16Å; D1007-G1009 PolarHBondContact O-N 2.96Å; D1007-S1015 WeakPolarHBondContact O-CA 3.45Å
1008	K	92.6	Very high	90	Very high	138 Å²	138	42.7 Å²	42.7	60%	0.6	23%	0.233	S	C	*	.			trans	-70.3	127.1	166.9	-67.1	-170.8	167	-177.1	0	109.1	D1018	K1008-D1018 VanDerWaalsContact CE-CG 3.45Å; K1008-D1018 VanDerWaalsContact CE-OD1 3.32Å; K1008-D1018 WeakPolarHBondContact CE-OD1 3.09Å; K1008-D1018 WeakPolarHBondContact CE-OD2 3.43Å; K1008-D1018 IonicContact NZ-OD1 2.72Å; K1008-D1018 PolarHBondContact NZ-OD1 3.02Å; K1008-D1018 IonicContact NZ-OD2 3.7Å; K1008-D1018 PolarHBondContact NZ-OD2 3.09Å
1009	G	77.6	Confident	90.2	Very high	18 Å²	18	39.5 Å²	39.5	19%	0.186	22%	0.217	C	C	.	.			trans	-68.3	135.1	-178.8	0	0	0	0	0	111.6	D1007 Y1011 G1012 G1013	D1007-G1009 PolarHBondContact O-N 2.96Å; G1009-Y1011 PolarHBondContact O-N 3.32Å; G1009-G1012 WeakPolarHBondContact CA-O 3.48Å; G1009-G1012 CarbonylContact O-C 3.49Å; G1009-G1012 WeakPolarHBondContact O-CA 3.49Å; G1009-G1012 PolarHBondContact O-N 3.48Å; G1009-G1013 PolarHBondContact N-O 3.43Å
1010	L	75.3	Confident	90.4	Very high	82 Å²	82	37 Å²	37	43%	0.429	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-41.6	-180	-71.9	176.5	0	0	0	112.9	M998 R1001 G1012	M998-L1010 HydrophobicContact CB-CD1 4.32Å; M998-L1010 VanDerWaalsContact O-CD1 3.24Å; M998-L1010 WeakPolarHBondContact O-CD1 3.43Å; M998-L1010 HydrophobicContact SD-CD1 4.19Å; R1001-L1010 HydrophobicContact CB-CD1 3.83Å; R1001-L1010 HydrophobicContact CB-CG 4.32Å; L1010-G1012 VanDerWaalsContact C-N 3.28Å; L1010-G1012 PolarHBondContact O-N 3.38Å
1011	Y	72.6	Confident	90.4	Very high	69 Å²	69	39.6 Å²	39.6	27%	0.271	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	11.8	178.7	-51.5	-83.1	0	0	0	112.5	R858 E860 Q1002 G1009	R858-Y1011 WeakPolarHBondContact CG-O 3.08Å; R858-Y1011 PolarHBondContact NE-O 3.21Å; E860-Y1011 HydrophobicContact CB-CD1 3.93Å; E860-Y1011 HydrophobicContact CB-CE1 3.81Å; E860-Y1011 HydrophobicContact CG-CD1 4.07Å; E860-Y1011 HydrophobicContact CG-CE1 4.07Å; Q1002-Y1011 HydrophobicContact CG-CD2 4.45Å; Q1002-Y1011 HydrophobicContact CG-CE2 3.93Å; G1009-Y1011 PolarHBondContact O-N 3.32Å
1012	G	75.1	Confident	90.4	Very high	27 Å²	27	38.6 Å²	38.6	28%	0.278	22%	0.222	S	C	.	.	S	Bend	trans	105.3	174.2	-174.4	0	0	0	0	0	113.6	G1009 L1010	G1009-G1012 WeakPolarHBondContact CA-O 3.48Å; G1009-G1012 CarbonylContact O-C 3.49Å; G1009-G1012 WeakPolarHBondContact O-CA 3.49Å; G1009-G1012 PolarHBondContact O-N 3.48Å; L1010-G1012 VanDerWaalsContact C-N 3.28Å; L1010-G1012 PolarHBondContact O-N 3.38Å
1013	G	83.5	Confident	90.4	Very high	32 Å²	32	35.4 Å²	35.4	33%	0.33	21%	0.207	S	C	.	.			trans	107.7	143.5	-171.5	0	0	0	0	0	112.1	G1009	G1009-G1013 PolarHBondContact N-O 3.43Å
1014	S	91.9	Very high	90.3	Very high	40 Å²	40	36.2 Å²	36.2	28%	0.28	21%	0.211	S	C	.	.			trans	-63.7	145.5	176.3	28.1	0	0	0	0	112	N847	N847-S1014 PolarHBondContact ND2-O 2.94Å; N847-S1014 PolarHBondContact OD1-O 3.41Å; N847-S1014 PolarHBondContact OD1-OG 3.38Å
1015	S	95.3	Very high	90.2	Very high	17 Å²	17	43.2 Å²	43.2	12%	0.119	24%	0.241	C	C	.	.			trans	-68	165.8	157.8	71.6	0	0	0	0	109.7	E1006 D1007 V1017 D1018 F1019	E1006-S1015 CarbonylContact O-C 3.51Å; E1006-S1015 WeakPolarHBondContact O-CA 3.44Å; E1006-S1015 WeakPolarHBondContact O-CB 3.32Å; D1007-S1015 WeakPolarHBondContact O-CA 3.45Å; S1015-V1017 PolarHBondContact O-N 3.38Å; S1015-V1017 PolarHBondContact OG-N 3.36Å; S1015-D1018 WeakPolarHBondContact CA-OD2 3.43Å; S1015-D1018 VanDerWaalsContact CB-OD2 3.23Å; S1015-D1018 WeakPolarHBondContact CB-OD2 3.47Å; S1015-D1018 PolarHBondContact N-OD2 3.42Å; S1015-D1018 PolarHBondContact O-N 2.89Å; S1015-D1018 VanDerWaalsContact O-N 3.14Å; S1015-D1018 PolarHBondContact OG-N 3.02Å; S1015-D1018 PolarHBondContact OG-OD2 2.93Å; S1015-F1019 PolarHBondContact O-N 3.47Å
1016	Y	95.4	Very high	90	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-53.5	-38.9	174.4	177	-151.7	0	0	0	111.9	I264 P265 P843 V844 E1006 F1019 L1020	I264-Y1016 HydrophobicContact CB-CE1 4.46Å; I264-Y1016 HydrophobicContact CD1-CD1 3.58Å; I264-Y1016 HydrophobicContact CD1-CE1 3.52Å; I264-Y1016 HydrophobicContact CD1-CG 4.33Å; I264-Y1016 HydrophobicContact CG1-CD1 4.43Å; I264-Y1016 HydrophobicContact CG1-CE1 3.96Å; P265-Y1016 WeakPolarHBondContact O-CE1 3.36Å; P265-Y1016 PolarHBondContact O-OH 3.13Å; P843-Y1016 HydrophobicContact CB-CE2 4.34Å; V844-Y1016 HydrophobicContact CB-CD1 4.06Å; V844-Y1016 HydrophobicContact CB-CD2 3.62Å; V844-Y1016 HydrophobicContact CB-CE1 4Å; V844-Y1016 HydrophobicContact CB-CE2 3.55Å; V844-Y1016 HydrophobicContact CB-CG 3.9Å; V844-Y1016 HydrophobicContact CG1-CE1 4.43Å; V844-Y1016 HydrophobicContact CG1-CE2 4.28Å; V844-Y1016 HydrophobicContact CG2-CD1 4.18Å; V844-Y1016 HydrophobicContact CG2-CD2 4.27Å; V844-Y1016 HydrophobicContact CG2-CE1 4.49Å; V844-Y1016 HydrophobicContact CG2-CG 4.09Å; E1006-Y1016 PolarHBondContact O-N 3.45Å; Y1016-F1019 PolarHBondContact O-N 3.03Å; Y1016-L1020 HydrophobicContact CD2-CD1 4.06Å; Y1016-L1020 HydrophobicContact CD2-CG 3.87Å; Y1016-L1020 HydrophobicContact CE1-CD1 4.41Å; Y1016-L1020 HydrophobicContact CE2-CD1 3.53Å; Y1016-L1020 HydrophobicContact CE2-CD2 3.72Å; Y1016-L1020 HydrophobicContact CE2-CG 3.47Å; Y1016-L1020 VanDerWaalsContact CE2-CG 3.47Å; Y1016-L1020 WeakPolarHBondContact O-CG 3.46Å; Y1016-L1020 PolarHBondContact O-N 2.98Å
1017	V	94.4	Very high	89.8	Confident	41 Å²	41	44.8 Å²	44.8	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-67.9	-42.7	177.8	-174.3	0	0	0	0	112.3	L259 I264 S1015 F1019 C1021	L259-V1017 HydrophobicContact CB-CG1 4.46Å; I264-V1017 HydrophobicContact CD1-CG2 3.9Å; S1015-V1017 PolarHBondContact O-N 3.38Å; S1015-V1017 PolarHBondContact OG-N 3.36Å; V1017-F1019 VanDerWaalsContact C-N 3.27Å; V1017-F1019 PolarHBondContact O-N 3.3Å; V1017-C1021 PolarHBondContact O-N 3.36Å; V1017-C1021 VanDerWaalsContact O-N 3.11Å; V1017-C1021 PolarHBondContact O-SG 3.34Å
1018	D	94.4	Very high	89.6	Confident	59 Å²	59	45.3 Å²	45.3	32%	0.316	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-35.2	176.5	-45.5	-86	0	0	0	110.5	K1008 S1015 C1021 C1022	K1008-D1018 VanDerWaalsContact CE-CG 3.45Å; K1008-D1018 VanDerWaalsContact CE-OD1 3.32Å; K1008-D1018 WeakPolarHBondContact CE-OD1 3.09Å; K1008-D1018 WeakPolarHBondContact CE-OD2 3.43Å; K1008-D1018 IonicContact NZ-OD1 2.72Å; K1008-D1018 PolarHBondContact NZ-OD1 3.02Å; K1008-D1018 IonicContact NZ-OD2 3.7Å; K1008-D1018 PolarHBondContact NZ-OD2 3.09Å; S1015-D1018 WeakPolarHBondContact CA-OD2 3.43Å; S1015-D1018 VanDerWaalsContact CB-OD2 3.23Å; S1015-D1018 WeakPolarHBondContact CB-OD2 3.47Å; S1015-D1018 PolarHBondContact N-OD2 3.42Å; S1015-D1018 PolarHBondContact O-N 2.89Å; S1015-D1018 VanDerWaalsContact O-N 3.14Å; S1015-D1018 PolarHBondContact OG-N 3.02Å; S1015-D1018 PolarHBondContact OG-OD2 2.93Å; D1018-C1021 WeakPolarHBondContact O-CB 3.16Å; D1018-C1021 PolarHBondContact O-N 2.91Å; D1018-C1022 PolarHBondContact O-N 3Å
1019	F	95.4	Very high	89.6	Confident	5 Å²	5	45.4 Å²	45.4	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-42.9	179.3	-170.9	-105.5	0	0	0	112.8	V810 P843 M846 N847 L850 S1015 Y1016 V1017 C1021 C1022 V1023	V810-F1019 HydrophobicContact CG2-CE2 4.03Å; V810-F1019 HydrophobicContact CG2-CZ 4.48Å; P843-F1019 HydrophobicContact CB-CD1 4.4Å; P843-F1019 HydrophobicContact CB-CE1 4.36Å; P843-F1019 WeakPolarHBondContact O-CD1 3.48Å; P843-F1019 VanDerWaalsContact O-CE1 3.28Å; P843-F1019 WeakPolarHBondContact O-CE1 3.29Å; M846-F1019 HydrophobicContact CB-CE1 4.18Å; M846-F1019 HydrophobicContact CB-CZ 4.36Å; M846-F1019 HydrophobicContact CG-CE1 4.21Å; M846-F1019 HydrophobicContact CG-CZ 3.89Å; N847-F1019 HydrophobicContact CB-CB 3.94Å; N847-F1019 HydrophobicContact CB-CD1 3.75Å; N847-F1019 HydrophobicContact CB-CD2 4.27Å; N847-F1019 HydrophobicContact CB-CE1 4.33Å; N847-F1019 HydrophobicContact CB-CG 3.71Å; N847-F1019 WeakPolarHBondContact OD1-CB 3.45Å; L850-F1019 HydrophobicContact CD1-CD2 4.38Å; L850-F1019 HydrophobicContact CD1-CE2 3.43Å; L850-F1019 VanDerWaalsContact CD1-CE2 3.43Å; L850-F1019 HydrophobicContact CD1-CZ 3.72Å; S1015-F1019 PolarHBondContact O-N 3.47Å; Y1016-F1019 PolarHBondContact O-N 3.03Å; V1017-F1019 VanDerWaalsContact C-N 3.27Å; V1017-F1019 PolarHBondContact O-N 3.3Å; F1019-C1021 VanDerWaalsContact C-N 3.28Å; F1019-C1021 PolarHBondContact O-N 3.16Å; F1019-C1022 WeakPolarHBondContact O-CA 3.25Å; F1019-C1022 WeakPolarHBondContact O-CB 3.36Å; F1019-C1022 PolarHBondContact O-N 3.13Å; F1019-V1023 HydrophobicContact CD1-CG2 4Å; F1019-V1023 HydrophobicContact CE1-CG2 3.54Å; F1019-V1023 HydrophobicContact CE2-CG2 4.16Å; F1019-V1023 HydrophobicContact CZ-CG2 3.62Å; F1019-V1023 WeakPolarHBondContact O-CG2 3.15Å; F1019-V1023 PolarHBondContact O-N 3.14Å
1020	L	93.9	Very high	90.2	Very high	20 Å²	20	48.1 Å²	48.1	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-43.4	170.5	-74.6	176	0	0	0	111.3	I264 L833 P843 Y1016 C1022 V1023 H1024	I264-L1020 HydrophobicContact CB-CD1 4.22Å; I264-L1020 HydrophobicContact CD1-CD1 4.04Å; I264-L1020 HydrophobicContact CG2-CD1 4.06Å; L833-L1020 HydrophobicContact CD2-CD2 3.85Å; P843-L1020 HydrophobicContact CB-CD2 3.76Å; P843-L1020 HydrophobicContact CG-CD2 4.2Å; Y1016-L1020 HydrophobicContact CD2-CD1 4.06Å; Y1016-L1020 HydrophobicContact CD2-CG 3.87Å; Y1016-L1020 HydrophobicContact CE1-CD1 4.41Å; Y1016-L1020 HydrophobicContact CE2-CD1 3.53Å; Y1016-L1020 HydrophobicContact CE2-CD2 3.72Å; Y1016-L1020 HydrophobicContact CE2-CG 3.47Å; Y1016-L1020 VanDerWaalsContact CE2-CG 3.47Å; Y1016-L1020 WeakPolarHBondContact O-CG 3.46Å; Y1016-L1020 PolarHBondContact O-N 2.98Å; L1020-C1022 VanDerWaalsContact C-N 3.28Å; L1020-C1022 PolarHBondContact O-N 3.13Å; L1020-V1023 PolarHBondContact O-N 2.9Å; L1020-H1024 VanDerWaalsContact O-CB 3.28Å; L1020-H1024 WeakPolarHBondContact O-CB 3.36Å; L1020-H1024 PolarHBondContact O-N 3.42Å
1021	C	93.7	Very high	90.6	Very high	54 Å²	54	47.3 Å²	47.3	37%	0.365	26%	0.262	S	S	.	.	H	α-helix	trans	-63.1	-31.9	174.5	-67.4	0	0	0	0	113.1	V1017 D1018 F1019 K1025	V1017-C1021 PolarHBondContact O-N 3.36Å; V1017-C1021 VanDerWaalsContact O-N 3.11Å; V1017-C1021 PolarHBondContact O-SG 3.34Å; D1018-C1021 WeakPolarHBondContact O-CB 3.16Å; D1018-C1021 PolarHBondContact O-N 2.91Å; F1019-C1021 VanDerWaalsContact C-N 3.28Å; F1019-C1021 PolarHBondContact O-N 3.16Å; C1021-K1025 WeakPolarHBondContact O-CG 3.48Å; C1021-K1025 PolarHBondContact O-N 3.44Å
1022	C	93.5	Very high	90.2	Very high	53 Å²	53	53.2 Å²	53.2	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-71.1	-53.9	175	-163.9	0	0	0	0	111.2	D1018 F1019 L1020 H1024 K1025 E1026	D1018-C1022 PolarHBondContact O-N 3Å; F1019-C1022 WeakPolarHBondContact O-CA 3.25Å; F1019-C1022 WeakPolarHBondContact O-CB 3.36Å; F1019-C1022 PolarHBondContact O-N 3.13Å; L1020-C1022 VanDerWaalsContact C-N 3.28Å; L1020-C1022 PolarHBondContact O-N 3.13Å; C1022-H1024 VanDerWaalsContact C-N 3.29Å; C1022-H1024 PolarHBondContact O-N 2.77Å; C1022-K1025 WeakPolarHBondContact O-CB 3.49Å; C1022-K1025 PolarHBondContact O-N 3.41Å; C1022-K1025 VanDerWaalsContact O-N 3.11Å; C1022-E1026 PolarHBondContact O-N 3.39Å
1023	V	93.4	Very high	90.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-38.3	179.7	170.8	0	0	0	0	111.5	T813 L817 F1019 L1020 K1025 E1026 I1027	T813-V1023 HydrophobicContact CG2-CG2 4.47Å; L817-V1023 HydrophobicContact CD1-CG1 3.91Å; F1019-V1023 HydrophobicContact CD1-CG2 4Å; F1019-V1023 HydrophobicContact CE1-CG2 3.54Å; F1019-V1023 HydrophobicContact CE2-CG2 4.16Å; F1019-V1023 HydrophobicContact CZ-CG2 3.62Å; F1019-V1023 WeakPolarHBondContact O-CG2 3.15Å; F1019-V1023 PolarHBondContact O-N 3.14Å; L1020-V1023 PolarHBondContact O-N 2.9Å; V1023-K1025 PolarHBondContact O-N 3.25Å; V1023-E1026 PolarHBondContact O-N 2.8Å; V1023-I1027 HydrophobicContact CG1-CD1 3.69Å; V1023-I1027 HydrophobicContact CG1-CG1 4.37Å; V1023-I1027 WeakPolarHBondContact O-CB 3.32Å; V1023-I1027 WeakPolarHBondContact O-CD1 3.28Å; V1023-I1027 VanDerWaalsContact O-CG1 3.23Å; V1023-I1027 WeakPolarHBondContact O-CG1 3.33Å; V1023-I1027 PolarHBondContact O-N 3.15Å
1024	H	93.4	Very high	91.3	Very high	46 Å²	46	55.7 Å²	55.7	21%	0.213	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-34.9	176.6	-175.2	33	0	0	0	113.1	A830 L1020 C1022 I1027 C1028	A830-H1024 PolarHBondContact O-CE1 2.92Å; L1020-H1024 VanDerWaalsContact O-CB 3.28Å; L1020-H1024 WeakPolarHBondContact O-CB 3.36Å; L1020-H1024 PolarHBondContact O-N 3.42Å; C1022-H1024 VanDerWaalsContact C-N 3.29Å; C1022-H1024 PolarHBondContact O-N 2.77Å; H1024-I1027 PolarHBondContact O-N 3.04Å; H1024-C1028 PolarHBondContact CE1-SG 3.19Å; H1024-C1028 PolarHBondContact O-N 3.39Å; H1024-C1028 PolarHBondContact O-SG 3.12Å; H1024-C1028 VanDerWaalsContact O-SG 3.33Å
1025	K	93.8	Very high	91.3	Very high	148 Å²	148	56.6 Å²	56.6	64%	0.643	30%	0.299	S	S	*	.	H	α-helix	trans	-64.6	-48.7	174.3	-73.3	169.5	-178.7	-178.9	0	111.5	C1021 C1022 V1023 I1027 C1028 Q1029	C1021-K1025 WeakPolarHBondContact O-CG 3.48Å; C1021-K1025 PolarHBondContact O-N 3.44Å; C1022-K1025 WeakPolarHBondContact O-CB 3.49Å; C1022-K1025 PolarHBondContact O-N 3.41Å; C1022-K1025 VanDerWaalsContact O-N 3.11Å; V1023-K1025 PolarHBondContact O-N 3.25Å; K1025-I1027 VanDerWaalsContact C-N 3.32Å; K1025-I1027 PolarHBondContact O-N 3.34Å; K1025-C1028 PolarHBondContact O-N 3.33Å; K1025-C1028 VanDerWaalsContact O-N 3.13Å; K1025-Q1029 PolarHBondContact O-N 2.82Å
1026	E	93.1	Very high	91.1	Very high	57 Å²	57	58.9 Å²	58.9	27%	0.266	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-41.1	177.2	-63	-58.8	154.2	0	0	111.5	A814 C1022 V1023 C1028 Q1029 L1030	A814-E1026 HydrophobicContact CB-CB 3.48Å; A814-E1026 VanDerWaalsContact CB-CB 3.48Å; A814-E1026 HydrophobicContact CB-CG 4.43Å; C1022-E1026 PolarHBondContact O-N 3.39Å; V1023-E1026 PolarHBondContact O-N 2.8Å; E1026-C1028 PolarHBondContact O-N 2.85Å; E1026-Q1029 PolarHBondContact O-N 3.43Å; E1026-Q1029 VanDerWaalsContact O-N 3.14Å; E1026-L1030 WeakPolarHBondContact O-CG 3.13Å; E1026-L1030 PolarHBondContact O-N 2.7Å
1027	I	92.4	Very high	90.8	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-58.2	-46.5	172.7	-71.8	163.7	0	0	0	111.1	A814 L817 A818 L833 V1023 H1024 K1025 Q1029 L1030 L1031	A814-I1027 HydrophobicContact CB-CG1 4.3Å; A814-I1027 WeakPolarHBondContact O-CG1 3.34Å; L817-I1027 HydrophobicContact CB-CD1 3.59Å; L817-I1027 HydrophobicContact CB-CG1 4.24Å; L817-I1027 HydrophobicContact CD1-CD1 4.24Å; A818-I1027 HydrophobicContact CB-CB 4.41Å; A818-I1027 HydrophobicContact CB-CG1 4.2Å; A818-I1027 HydrophobicContact CB-CG2 4.15Å; L833-I1027 HydrophobicContact CD1-CD1 3.47Å; L833-I1027 VanDerWaalsContact CD1-CD1 3.47Å; V1023-I1027 HydrophobicContact CG1-CD1 3.69Å; V1023-I1027 HydrophobicContact CG1-CG1 4.37Å; V1023-I1027 WeakPolarHBondContact O-CB 3.32Å; V1023-I1027 WeakPolarHBondContact O-CD1 3.28Å; V1023-I1027 VanDerWaalsContact O-CG1 3.23Å; V1023-I1027 WeakPolarHBondContact O-CG1 3.33Å; V1023-I1027 PolarHBondContact O-N 3.15Å; H1024-I1027 PolarHBondContact O-N 3.04Å; K1025-I1027 VanDerWaalsContact C-N 3.32Å; K1025-I1027 PolarHBondContact O-N 3.34Å; I1027-Q1029 VanDerWaalsContact C-N 3.28Å; I1027-Q1029 PolarHBondContact O-N 2.69Å; I1027-L1030 PolarHBondContact O-N 2.72Å; I1027-L1030 VanDerWaalsContact O-N 3.16Å; I1027-L1031 HydrophobicContact CG2-CD1 3.66Å; I1027-L1031 HydrophobicContact CG2-CG 4.36Å; I1027-L1031 VanDerWaalsContact O-CG 3.25Å; I1027-L1031 WeakPolarHBondContact O-CG 3.39Å; I1027-L1031 PolarHBondContact O-N 3.16Å; I1027-L1031 VanDerWaalsContact O-N 3.13Å
1028	C	91.6	Very high	90.5	Very high	41 Å²	41	63.9 Å²	63.9	28%	0.277	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-29	177.1	-70.4	0	0	0	0	112.8	H1024 K1025 E1026 L1030 N1032	H1024-C1028 PolarHBondContact CE1-SG 3.19Å; H1024-C1028 PolarHBondContact O-N 3.39Å; H1024-C1028 PolarHBondContact O-SG 3.12Å; H1024-C1028 VanDerWaalsContact O-SG 3.33Å; K1025-C1028 PolarHBondContact O-N 3.33Å; K1025-C1028 VanDerWaalsContact O-N 3.13Å; E1026-C1028 PolarHBondContact O-N 2.85Å; C1028-L1030 VanDerWaalsContact C-N 3.35Å; C1028-N1032 PolarHBondContact O-N 2.61Å; C1028-N1032 PolarHBondContact O-ND2 3.49Å
1029	Q	92.4	Very high	90.3	Very high	139 Å²	139	64.2 Å²	64.2	65%	0.65	33%	0.334	S	S	*	.	H	α-helix	trans	-73.9	-23.6	172.9	-173.9	171	-41.6	0	0	113.1	K1025 E1026 I1027	K1025-Q1029 PolarHBondContact O-N 2.82Å; E1026-Q1029 PolarHBondContact O-N 3.43Å; E1026-Q1029 VanDerWaalsContact O-N 3.14Å; I1027-Q1029 VanDerWaalsContact C-N 3.28Å; I1027-Q1029 PolarHBondContact O-N 2.69Å
1030	L	89.8	Confident	89.9	Confident	76 Å²	76	68.8 Å²	68.8	40%	0.398	36%	0.358	S	S	.	.	H	α-helix	trans	-91.3	-6.8	175.2	-67.8	172.5	0	0	0	114.2	A814 H815 A818 E1026 I1027 C1028	A814-L1030 HydrophobicContact CB-CD1 4.39Å; H815-L1030 HydrophobicContact CB-CD1 4.32Å; A818-L1030 HydrophobicContact CB-CB 3.95Å; A818-L1030 HydrophobicContact CB-CD1 4.12Å; E1026-L1030 WeakPolarHBondContact O-CG 3.13Å; E1026-L1030 PolarHBondContact O-N 2.7Å; I1027-L1030 PolarHBondContact O-N 2.72Å; I1027-L1030 VanDerWaalsContact O-N 3.16Å; C1028-L1030 VanDerWaalsContact C-N 3.35Å
1031	L	84.1	Confident	89.5	Confident	64 Å²	64	72.8 Å²	72.8	34%	0.335	38%	0.379	S	S	.	.	H	α-helix	trans	-104.6	-16.5	179.1	-70.6	173.6	0	0	0	113.7	R821 K822 I1027	R821-L1031 HydrophobicContact CB-CD1 4.38Å; R821-L1031 HydrophobicContact CG-CD1 3.81Å; K822-L1031 HydrophobicContact CB-CD2 3.81Å; K822-L1031 HydrophobicContact CD-CD2 4.36Å; K822-L1031 HydrophobicContact CG-CD2 4.4Å; I1027-L1031 HydrophobicContact CG2-CD1 3.66Å; I1027-L1031 HydrophobicContact CG2-CG 4.36Å; I1027-L1031 VanDerWaalsContact O-CG 3.25Å; I1027-L1031 WeakPolarHBondContact O-CG 3.39Å; I1027-L1031 PolarHBondContact O-N 3.16Å; I1027-L1031 VanDerWaalsContact O-N 3.13Å
1032	N	63.3	Low	89.2	Confident	194 Å²	194	74.5 Å²	74.5	100%	1.037	38%	0.381	S	S	*	.			trans	-88.4	0	167.2	-66.8	-60.3	0	0	0	111	C1028	C1028-N1032 PolarHBondContact O-N 2.61Å; C1028-N1032 PolarHBondContact O-ND2 3.49Å

Retrieved 1,032 of 1,032 residues in 287.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).