A0A060X7M4_ONCMY Loading...

ATP-dependent helicase RENT1

AlphaFold DB , UniProt , Accession A0A060X7M4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110508900, Length 1,101 aa.

						>A0A060X7M4_ONCMY|A0A060X7M4|LOC110508900
MSVEAYGPSSQTLTFLDTEEAELLGADTQGSEYEFTDFTLPSQTQTGQTQSQLENQVNGPDGVQQNGDDPVVKASQLLAELNFEEDEEDSYYTKDLPVHACSYCGIHDPACVVYCNTSKKWFCNGRGNTSGSHIVNHLVRAKSKEVTLHKDGPLGETVLECYNCGCRNVFLLGFIPAKADSVVVLLCRQPCASQSSLKDINWDSSQWQPLIQDRCFLSWLVKIPSEQEQLRARQITAQQINKLEELWKENPTATLEDLEKPGVDEEPQHVLLRYEDAYQYQNIFGPLVKLEADYDKKLKESQTQDNITVRWDLGLNKKRIAYFSLPKTDSGDMRLMQGDEICLRYKGDLAPLWKGIGHVIKVPDNYGDEIAIELRSSAGAPVEVPHNFQVDFVWKSTSFDRMQSALKTFAVDETSVSGYIYHKLLGHEVEDVVIKCQLPKRFTAQGLPDLNHSQVYAVKTVLQRPLSLIQGPPGTGKTVTSATVVYHLARQGNGPVLVCAPSNIAVDQLTEKIHMSGLKVVRLSAKSREAIDSPVSFLALHNQIRNMDSIPELQKLQQLKDETGELSSSDEKRYRALKRTAERELLMNADVICCTCVGAGDPRLAKMQFRSILIDESTQATEPECMVPVILGAKQLILVGDHCQLGPVVMCKKAAKAGLSQSLFERLVVLGIRPIRLQVQYRMHPALSAFPSNIFYEGSLQNGVTAADRIKKGFDFQWPQPDKPMFFYVTLGQEEIASSGTSYLNRTEASNVEKITTRLLKAGAKPDQIGIITPYEGQRSYLVQYMQFSGSLHTKLYQEVEIASVDAFQGREKDFIILSCVRANEHQGIGFLNDPRRLNVALTRARYGVIIVGNPKALSKQPLWNHLLNYYKEQKVLVEGPLNNLRESLMQFSKPRKLVNAINPGGRFMSTAMYDAREALIPGSVYDRSSTGRSSNMYFQTHDQIGMIGPGPMASMNIPFNLVMPPMPPPGYLGQVHCPPAGRGGGMKGKAGGGGVRGGRQRSRGMGNHGGGSGQHGLMSGSQASQDLGSQPFSQGPLTQGYITMSQPSQMSQPGLSQPELSQDSYLGDEFKSQIDVALSQDSTYQGERAYQHGVTGLSQY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.3	Very low	31.9	Very low	232 Å²	232	137.5 Å²	137.5	100%	1.143	79%	0.791	S	S	*	*				0	119.3	0	-66	-179.4	-88.3	0	0	106.4
2	S	27.7	Very low	31.6	Very low	105 Å²	105	135.7 Å²	135.7	73%	0.734	79%	0.785	S	S	*	*			cis	76.9	131.3	42.7	81	0	0	0	0	111.6
3	V	29.4	Very low	31.2	Very low	109 Å²	109	136.8 Å²	136.8	66%	0.661	79%	0.785	S	S	*	*			cis	-164.6	153.5	-3.8	88.2	0	0	0	0	110.9
4	E	32.2	Very low	30.9	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	78%	0.778	S	S	*	*			trans	57.1	170.5	154.4	-69	161.5	-158.1	0	0	120.5
5	A	32	Very low	30.5	Very low	79 Å²	79	138.1 Å²	138.1	65%	0.653	78%	0.779	S	S	*	*			cis	-170.9	167.7	-38.8	0	0	0	0	0	109.4
6	Y	30.5	Very low	30.3	Very low	236 Å²	236	139.8 Å²	139.8	93%	0.925	79%	0.785	S	S	*	*				179.1	143.7	129.6	-108.1	-78.2	0	0	0	111.2
7	G	28.2	Very low	30.4	Very low	63 Å²	63	140.2 Å²	140.2	65%	0.649	79%	0.785	S	S	*	*			trans	-113	-136.9	170.6	0	0	0	0	0	110.8
8	P	49.4	Very low	30.3	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	79%	0.79	S	S	*	*			cis	-143.7	174.3	-9.4	42.2	-24.9	0	0	0	116.1
9	S	28.6	Very low	30.2	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	80%	0.798	S	S	*	*			trans	175.6	115.8	142.8	29.2	0	0	0	0	108.8
10	S	30.9	Very low	30.3	Very low	107 Å²	107	145.8 Å²	145.8	75%	0.748	80%	0.802	S	S	*	*				71.1	123	63	75	0	0	0	0	112.8
11	Q	30	Very low	30.3	Very low	174 Å²	174	142.9 Å²	142.9	81%	0.813	80%	0.797	S	S	*	*			cis	-143.8	138.8	21	-67.4	169.6	-16	0	0	109
12	T	27.6	Very low	30	Very low	116 Å²	116	141 Å²	141	71%	0.712	79%	0.785	S	S	*	*				64	102.9	64.8	60.8	0	0	0	0	115.8
13	L	27.2	Very low	30.3	Very low	151 Å²	151	142.7 Å²	142.7	79%	0.791	79%	0.786	S	S	*	*				80.2	154.8	98.5	-69.9	170.7	0	0	0	113.9
14	T	26.1	Very low	30.3	Very low	112 Å²	112	145.7 Å²	145.7	69%	0.687	80%	0.797	S	S	*	*			cis	-161.8	156.2	18.4	5.2	0	0	0	0	112
15	F	26.2	Very low	30.1	Very low	181 Å²	181	140.9 Å²	140.9	79%	0.794	79%	0.794	S	S	*	*			trans	22.2	142	148.1	-74.2	-105.4	0	0	0	124.1
16	L	25.9	Very low	30	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	80%	0.796	S	S	*	*				-172.4	153.7	114.1	-103.7	166.7	0	0	0	113.6
17	D	32.2	Very low	29.9	Very low	147 Å²	147	137 Å²	137	79%	0.786	79%	0.79	S	S	*	*			trans	-110.2	150.2	167.5	-76	-58.3	0	0	0	109.9
18	T	28.8	Very low	30.1	Very low	144 Å²	144	140.3 Å²	140.3	88%	0.883	80%	0.798	S	S	*	*			trans	-153.7	162.9	165.6	28.9	0	0	0	0	111.4
19	E	28.8	Very low	29.1	Very low	200 Å²	200	144 Å²	144	94%	0.935	80%	0.804	S	S	*	*			trans	-99.2	-155.6	-155.3	-59.7	172.2	126.7	0	0	115.7
20	E	32.7	Very low	29.1	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	81%	0.807	S	S	*	*			trans	-92.9	172.4	-153.9	-52.4	-179.9	114.8	0	0	117.8
21	A	29.1	Very low	29.2	Very low	85 Å²	85	142.6 Å²	142.6	70%	0.702	81%	0.807	S	S	*	*			trans	90.7	114.3	138	0	0	0	0	0	122.6
22	E	27.6	Very low	29.1	Very low	191 Å²	191	142.3 Å²	142.3	89%	0.893	81%	0.806	S	S	*	*			trans	-177.8	106.7	133.8	-101.9	178.3	-177.6	0	0	107
23	L	32.3	Very low	29.1	Very low	142 Å²	142	146.1 Å²	146.1	74%	0.743	81%	0.808	S	S	*	*				78.9	114.9	69.9	-91	93.4	0	0	0	117.6
24	L	29.7	Very low	29.1	Very low	172 Å²	172	147.1 Å²	147.1	90%	0.901	81%	0.809	S	S	*	*			trans	66.1	146.1	156.1	-55.3	168.7	0	0	0	117.6
25	G	28.5	Very low	29.2	Very low	73 Å²	73	150.7 Å²	150.7	75%	0.753	82%	0.815	S	S	*	*			cis	178.6	-176.4	-0.5	0	0	0	0	0	109
26	A	30.2	Very low	29.3	Very low	84 Å²	84	147.9 Å²	147.9	69%	0.694	81%	0.813	S	S	*	*			cis	-166.8	-175.2	-8.8	0	0	0	0	0	109.4
27	D	28.9	Very low	29.4	Very low	151 Å²	151	146.4 Å²	146.4	81%	0.807	81%	0.806	S	S	*	*			trans	69.6	143.4	153.3	-65.6	-15.7	0	0	0	121.7
28	T	32.1	Very low	29.1	Very low	132 Å²	132	147.5 Å²	147.5	81%	0.81	80%	0.804	S	S	*	*			cis	-145	168.8	-0.7	19.5	0	0	0	0	112.6
29	Q	28.1	Very low	29.1	Very low	200 Å²	200	145.3 Å²	145.3	94%	0.935	79%	0.791	S	S	*	*			trans	-117	160.4	172.4	-71.5	-174.1	-23.2	0	0	112.9
30	G	28.9	Very low	29.1	Very low	79 Å²	79	143.3 Å²	143.3	81%	0.814	79%	0.786	S	S	*	*			trans	121.7	146.1	165.5	0	0	0	0	0	114.3
31	S	31.8	Very low	29.5	Very low	107 Å²	107	140 Å²	140	75%	0.748	78%	0.78	S	S	*	*			cis	-162.5	132.3	2.5	55.5	0	0	0	0	114.3
32	E	28.2	Very low	29.5	Very low	169 Å²	169	141.3 Å²	141.3	79%	0.79	78%	0.784	S	S	*	*			trans	56.6	170.5	140.2	-57.8	-170	143.6	0	0	123.4
33	Y	28.9	Very low	29.6	Very low	196 Å²	196	141.5 Å²	141.5	77%	0.769	79%	0.785	S	S	*	*			trans	72.7	141.3	178.1	-66.6	-94.6	0	0	0	118.4
34	E	25.3	Very low	29.5	Very low	172 Å²	172	140.1 Å²	140.1	80%	0.804	78%	0.783	S	S	*	*			cis	-159.9	-178.5	-30.9	-139.2	178.2	-175.2	0	0	110.4
35	F	28.3	Very low	29.5	Very low	186 Å²	186	140.6 Å²	140.6	82%	0.816	78%	0.78	S	S	*	*			trans	-93.8	146.6	-179.5	-127	-103.4	0	0	0	111.6
36	T	28	Very low	29.6	Very low	123 Å²	123	143.7 Å²	143.7	76%	0.755	79%	0.785	S	S	*	*				169.3	129.9	129.8	31.5	0	0	0	0	115.6
37	D	28.6	Very low	29.4	Very low	133 Å²	133	142.7 Å²	142.7	71%	0.711	78%	0.783	S	S	*	*			trans	52	134.6	130.2	-70.3	-26.3	0	0	0	127.1
38	F	26.3	Very low	29.5	Very low	170 Å²	170	144.6 Å²	144.6	75%	0.746	79%	0.787	S	S	*	*				95.4	105.5	129.5	-91.9	-129	0	0	0	123.8
39	T	28.6	Very low	29.3	Very low	99 Å²	99	144.6 Å²	144.6	61%	0.607	79%	0.787	S	S	*	*				92.6	129.6	120.1	50.8	0	0	0	0	125.3
40	L	29.5	Very low	29.4	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	78%	0.783	S	S	*	*			trans	72.2	165.1	133.9	-72.3	170	0	0	0	120
41	P	39.8	Very low	29.4	Very low	118 Å²	118	145.4 Å²	145.4	77%	0.766	78%	0.781	S	S	*	*			cis	-125	174.9	-13.7	30	-11.1	0	0	0	114.4
42	S	29.1	Very low	29.3	Very low	112 Å²	112	149.1 Å²	149.1	78%	0.783	79%	0.787	S	S	*	*			trans	-111.7	141.4	158.8	53.2	0	0	0	0	110.9
43	Q	31	Very low	29.3	Very low	196 Å²	196	148.7 Å²	148.7	92%	0.916	79%	0.789	S	S	*	*			trans	-154.9	172.4	165.3	-115.6	175.2	47.9	0	0	111.1
44	T	29.6	Very low	29.2	Very low	112 Å²	112	146.4 Å²	146.4	69%	0.687	79%	0.785	S	S	*	*			trans	-133.3	160.2	-146	58.2	0	0	0	0	115.7
45	Q	29.4	Very low	29.4	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	78%	0.776	S	S	*	*			trans	73.3	149.3	168.4	-50.3	167.8	23.4	0	0	113.9
46	T	30.3	Very low	29.4	Very low	139 Å²	139	142.1 Å²	142.1	85%	0.853	77%	0.772	S	S	*	*			cis	-127.3	-177.9	-3.6	48.8	0	0	0	0	108.6
47	G	27.5	Very low	29.4	Very low	62 Å²	62	141.7 Å²	141.7	64%	0.639	77%	0.769	S	S	*	*			cis	142.5	106.1	-8	0	0	0	0	0	112.7
48	Q	30.2	Very low	29.3	Very low	191 Å²	191	143 Å²	143	89%	0.893	78%	0.775	S	S	*	*			trans	68.5	160.5	175.9	-51.6	178.5	-27.7	0	0	114.8
49	T	28.3	Very low	29.3	Very low	132 Å²	132	138 Å²	138	81%	0.81	77%	0.772	S	S	*	*			cis	-146.8	-179.2	9.9	-28.4	0	0	0	0	111.6
50	Q	29.8	Very low	30.1	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	78%	0.777	S	S	*	*			trans	-93.8	141.7	-177.2	-54.1	158.3	-76.2	0	0	114.7
51	S	29.8	Very low	30.1	Very low	110 Å²	110	138.7 Å²	138.7	77%	0.769	78%	0.779	S	S	*	*			trans	176.5	123.1	139.6	52.5	0	0	0	0	108.1
52	Q	28.5	Very low	29.6	Very low	186 Å²	186	136.7 Å²	136.7	87%	0.869	78%	0.78	S	S	*	*				63.3	138.3	61.3	-83.4	-163.8	-21.1	0	0	115.9
53	L	27.9	Very low	29.6	Very low	160 Å²	160	137.5 Å²	137.5	84%	0.838	78%	0.78	S	S	*	*			trans	70.7	155	-179.2	-57	162.6	0	0	0	115.8
54	E	27.5	Very low	29.6	Very low	147 Å²	147	135.7 Å²	135.7	69%	0.687	77%	0.771	S	S	*	*			cis	176.3	153.4	-44.9	-122.3	-171.2	-145	0	0	107.8
55	N	28.8	Very low	29.7	Very low	115 Å²	115	139.6 Å²	139.6	62%	0.615	78%	0.782	S	S	*	*			trans	64.3	158.9	163.1	-59.2	-48	0	0	0	117
56	Q	28.5	Very low	29.8	Very low	154 Å²	154	137.8 Å²	137.8	72%	0.72	78%	0.778	S	S	*	*			cis	-156.1	140.9	-20.1	-115.3	165.9	41.4	0	0	111.1
57	V	27.5	Very low	29.8	Very low	114 Å²	114	134.7 Å²	134.7	69%	0.691	77%	0.773	S	S	*	*			trans	33.2	108.8	130.3	-178	0	0	0	0	119.3
58	N	28.2	Very low	30.1	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	78%	0.78	S	S	*	*				177.3	158.2	114.6	-98.6	-46.5	0	0	0	114
59	G	25.2	Very low	30.3	Very low	65 Å²	65	136.9 Å²	136.9	67%	0.67	78%	0.776	S	S	*	*			trans	-95.2	-148.1	164.6	0	0	0	0	0	112
60	P	45.1	Very low	30.8	Very low	110 Å²	110	135.8 Å²	135.8	71%	0.714	77%	0.772	S	S	*	*			cis	-140.3	-171.6	11	45.2	-27.2	0	0	0	116.1
61	D	29.6	Very low	31.4	Very low	163 Å²	163	132.7 Å²	132.7	87%	0.872	77%	0.765	S	S	*	*			trans	54.9	135.7	151.2	-56.9	-33.8	0	0	0	122.9
62	G	29.2	Very low	32	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	76%	0.757	S	S	*	*			trans	171.3	37.4	174.5	0	0	0	0	0	121.2
63	V	30.2	Very low	32.5	Very low	128 Å²	128	132 Å²	132	78%	0.776	75%	0.754	S	S	*	*			trans	-5.7	137.7	147.1	165.8	0	0	0	0	116.4
64	Q	30	Very low	33.1	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.743	75%	0.747	S	S	*	*			cis	-172.1	157.4	-0	-110.1	174.2	-2.3	0	0	108.7
65	Q	31.8	Very low	33.7	Very low	193 Å²	193	125.5 Å²	125.5	90%	0.902	74%	0.743	S	S	*	*				178.5	159.6	120.3	-98.8	-178.8	10	0	0	112.8
66	N	31.9	Very low	34.1	Very low	145 Å²	145	127.2 Å²	127.2	78%	0.775	75%	0.747	S	S	*	*			trans	-106.5	163.8	-162.7	-60.4	-7.5	0	0	0	114
67	G	30	Very low	34.6	Very low	73 Å²	73	127.6 Å²	127.6	75%	0.753	75%	0.753	S	S	*	*			trans	-135.2	136.6	149.2	0	0	0	0	0	108.9
68	D	33.7	Very low	35.1	Very low	148 Å²	148	130.1 Å²	130.1	79%	0.791	76%	0.762	S	S	*	*			trans	-88.4	152.5	-168.9	-55.1	-81.9	0	0	0	114.4
69	D	34.7	Very low	35.5	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	76%	0.755	S	S	*	*			trans	-165.9	163.7	140	-113	-13.7	0	0	0	111.1
70	P	39	Very low	36.1	Very low	109 Å²	109	132.3 Å²	132.3	71%	0.708	76%	0.764	S	S	*	*			trans	-119.7	58	-130.5	37.5	-21.5	0	0	0	114.6
71	V	41.6	Very low	35.6	Very low	122 Å²	122	135.4 Å²	135.4	74%	0.739	77%	0.774	S	S	*	*			trans	-84.4	-24.5	177.7	-177.1	0	0	0	0	113	K73	V71-K73 VanDerWaalsContact C-N 3.31Å; V71-K73 PolarHBondContact O-N 2.82Å
72	V	43.7	Very low	35.8	Very low	99 Å²	99	134.7 Å²	134.7	60%	0.6	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-71	-18	-167.1	-176	0	0	0	0	114.5	A74 S75	V72-A74 VanDerWaalsContact C-N 3.34Å; V72-A74 PolarHBondContact O-N 3.31Å; V72-S75 PolarHBondContact O-N 2.92Å
73	K	39.2	Very low	35.8	Very low	183 Å²	183	140.7 Å²	140.7	80%	0.796	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-78.4	-8.7	-176.5	-81.3	-175.6	174.8	176.5	0	115.5	V71	V71-K73 VanDerWaalsContact C-N 3.31Å; V71-K73 PolarHBondContact O-N 2.82Å
74	A	39.8	Very low	36	Very low	84 Å²	84	142.6 Å²	142.6	69%	0.694	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-80.9	-25.1	171.4	0	0	0	0	0	112.7	V72	V72-A74 VanDerWaalsContact C-N 3.34Å; V72-A74 PolarHBondContact O-N 3.31Å
75	S	40.7	Very low	36.1	Very low	86 Å²	86	144.6 Å²	144.6	60%	0.601	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-10.5	-167.1	-34.2	0	0	0	0	115	V72	V72-S75 PolarHBondContact O-N 2.92Å
76	Q	37.6	Very low	36.1	Very low	150 Å²	150	141.5 Å²	141.5	70%	0.701	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	11.9	-169.2	-67.5	-172.7	-45.7	0	0	114.6
77	L	38.6	Very low	36.4	Very low	163 Å²	163	143.2 Å²	143.2	85%	0.853	78%	0.778	S	S	*	*	S	Bend	trans	-117.4	12.2	178.1	-78.6	169.6	0	0	0	114.3
78	L	37.6	Very low	36.8	Very low	166 Å²	166	148 Å²	148	87%	0.869	78%	0.78	S	S	*	*	S	Bend	trans	-112.4	2.1	172	-80.7	167.2	0	0	0	113.4
79	A	36.1	Very low	36.6	Very low	85 Å²	85	149.5 Å²	149.5	70%	0.702	79%	0.788	S	S	*	*	S	Bend	trans	-105.7	47.5	-171.3	0	0	0	0	0	113.3
80	E	38.9	Very low	36.4	Very low	186 Å²	186	147 Å²	147	87%	0.869	78%	0.783	S	S	*	*			trans	-160.6	51.7	170.2	-130.3	171.7	-130.1	0	0	115
81	L	34.1	Very low	36.2	Very low	174 Å²	174	148.5 Å²	148.5	91%	0.911	78%	0.775	S	S	*	*			trans	-143.3	113.9	159.1	-79.4	-176.7	0	0	0	110.6
82	N	32.8	Very low	35.9	Very low	148 Å²	148	153.3 Å²	153.3	79%	0.791	78%	0.782	S	S	*	*			trans	-71.6	145	-179.7	-64.5	1.3	0	0	0	112.8
83	F	30.8	Very low	35.5	Very low	202 Å²	202	155.1 Å²	155.1	89%	0.886	79%	0.793	S	S	*	*				-140.9	161.2	126.2	-85.9	-70	0	0	0	108.9
84	E	33.2	Very low	35.7	Very low	169 Å²	169	153.1 Å²	153.1	79%	0.79	78%	0.784	S	S	*	*			trans	-79.2	126.2	-169.8	-68.2	138.8	140.8	0	0	112.1	D86	E84-D86 PolarHBondContact O-N 3.28Å
85	E	32.4	Very low	36.6	Very low	200 Å²	200	156.5 Å²	156.5	94%	0.935	79%	0.791	S	S	*	*			trans	-91.6	88.2	170.7	-72.4	-172.3	149.4	0	0	109.9
86	D	31.6	Very low	38.4	Very low	128 Å²	128	157.7 Å²	157.7	68%	0.684	79%	0.79	S	S	*	*			trans	-76.6	119.6	177.9	-79.1	-33.7	0	0	0	113	E84 E88	E84-D86 PolarHBondContact O-N 3.28Å; D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.45Å
87	E	38.8	Very low	40.5	Very low	181 Å²	181	153 Å²	153	85%	0.846	77%	0.773	S	S	*	*	S	Bend	trans	43.7	-0.8	144.4	-56.8	-159.3	137.6	0	0	123.8	D89 S90	E87-D89 PolarHBondContact O-N 3.5Å; E87-S90 PolarHBondContact O-OG 3.29Å
88	E	37.1	Very low	42.7	Very low	174 Å²	174	151.9 Å²	151.9	81%	0.813	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-78.8	-19.7	-171.1	-70.6	-143.7	131.9	0	0	116.7	D86 S90 Y91	D86-E88 VanDerWaalsContact C-N 3.33Å; D86-E88 PolarHBondContact O-N 3.45Å; E88-S90 PolarHBondContact O-N 3.46Å; E88-Y91 PolarHBondContact O-N 3.22Å
89	D	31	Very low	45.1	Very low	179 Å²	179	146 Å²	146	96%	0.957	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-74.7	14.6	-172.8	-122	4.7	0	0	0	115	E87	E87-D89 PolarHBondContact O-N 3.5Å
90	S	28.7	Very low	47.5	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-102.2	-2.2	178.9	65.1	0	0	0	0	114.5	E87 E88	E87-S90 PolarHBondContact O-OG 3.29Å; E88-S90 PolarHBondContact O-N 3.46Å
91	Y	36.8	Very low	49.9	Very low	140 Å²	140	133.8 Å²	133.8	55%	0.549	67%	0.671	S	S	.	*			trans	-88.3	-15.8	-162.2	-146	-94	0	0	0	116.7	E88 T93 K94	E88-Y91 PolarHBondContact O-N 3.22Å; Y91-T93 PolarHBondContact O-N 2.92Å; Y91-K94 HydrophobicContact CE1-CD 4.22Å; Y91-K94 HydrophobicContact CE2-CD 4.36Å; Y91-K94 PolarHBondContact OH-NZ 3.13Å
92	Y	34.9	Very low	52.4	Low	223 Å²	223	127.6 Å²	127.6	88%	0.875	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	27.4	-167.1	-83.7	-75.1	0	0	0	117.3
93	T	35.6	Very low	54.9	Low	137 Å²	137	120.7 Å²	120.7	84%	0.84	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.7	37.8	166.1	-1.1	0	0	0	0	114.3	Y91 D95	Y91-T93 PolarHBondContact O-N 2.92Å; T93-D95 PolarHBondContact O-N 2.77Å
94	K	42.8	Very low	57.4	Low	141 Å²	141	111.3 Å²	111.3	61%	0.613	56%	0.564	S	S	*	*			trans	-74.3	111.3	161.6	-70.6	-175.3	-178.3	-178.8	0	109.5	Y91 L96	Y91-K94 HydrophobicContact CE1-CD 4.22Å; Y91-K94 HydrophobicContact CE2-CD 4.36Å; Y91-K94 PolarHBondContact OH-NZ 3.13Å; K94-L96 PolarHBondContact O-N 3.1Å
95	D	58.3	Low	59.7	Low	156 Å²	156	104.1 Å²	104.1	83%	0.834	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-50.9	136.3	169.8	-82	-47.3	0	0	0	110.6	T93	T93-D95 PolarHBondContact O-N 2.77Å
96	L	78.2	Confident	62.3	Low	111 Å²	111	95.2 Å²	95.2	58%	0.581	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-59.5	141	176.9	-78.6	169.6	0	0	0	110	K94 A100	K94-L96 PolarHBondContact O-N 3.1Å; L96-A100 HydrophobicContact CB-CB 3.92Å
97	P	81.6	Confident	65	Low	52 Å²	52	93.4 Å²	93.4	34%	0.338	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-52	145.4	176.9	-27.5	35	0	0	0	111.9	H99 A100 H107	P97-H99 WeakPolarHBondContact CB-NE2 3.37Å; P97-H99 PolarHBondContact O-N 3.08Å; P97-A100 WeakPolarHBondContact O-CB 3.39Å; P97-A100 PolarHBondContact O-N 2.69Å; P97-H107 HydrophobicContact CB-CB 4.42Å; P97-H107 HydrophobicContact CG-CB 4.18Å
98	V	84.7	Confident	67.4	Low	139 Å²	139	87 Å²	87	84%	0.842	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-23.2	-176.8	-176.7	0	0	0	0	112.8
99	H	88.4	Confident	69.9	Low	41 Å²	41	80.4 Å²	80.4	19%	0.19	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	6	174.7	55.7	-117.5	0	0	0	115.5	P97 H107 V112 W121 H149	P97-H99 WeakPolarHBondContact CB-NE2 3.37Å; P97-H99 PolarHBondContact O-N 3.08Å; H99-H107 PolarHBondContact CD2-O 2.71Å; H99-H107 PolarHBondContact NE2-O 3.41Å; H99-V112 HydrophobicContact CB-CG2 4.28Å; H99-W121 HydrophobicContact CB-CD2 3.81Å; H99-W121 HydrophobicContact CB-CE3 4.13Å; H99-W121 HydrophobicContact CB-CG 4.15Å; H99-W121 HydrophobicContact CB-CZ2 4.33Å; H99-W121 WeakPolarHBondContact O-CB 3.47Å; H99-H149 AromaticContact CE1-NE2 3.84Å; H99-H149 AromaticContact CG-CD2 3.96Å; H99-H149 AromaticContact CG-NE2 3.54Å; H99-H149 AromaticContact ND1-CD2 3.91Å; H99-H149 AromaticContact ND1-CE1 3.74Å; H99-H149 AromaticContact ND1-NE2 3.03Å; H99-H149 PolarHBondContact ND1-NE2 3.44Å
100	A	87.3	Confident	72.7	Confident	12 Å²	12	72.4 Å²	72.4	10%	0.099	38%	0.384	C	S	.	.	S	Bend	trans	-67.5	142	180	0	0	0	0	0	112.5	L96 P97 S102 H107	L96-A100 HydrophobicContact CB-CB 3.92Å; P97-A100 WeakPolarHBondContact O-CB 3.39Å; P97-A100 PolarHBondContact O-N 2.69Å; A100-S102 PolarHBondContact O-N 3.25Å; A100-S102 VanDerWaalsContact O-N 3.16Å; A100-H107 HydrophobicContact CB-CB 3.82Å
101	C	88.3	Confident	75.8	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.027	35%	0.352	C	S	.	.			trans	-63.7	115.7	-179	174.9	0	0	0	0	111.8	Y103 C104 G105 I106 W121 C123	C101-Y103 PolarHBondContact O-N 2.88Å; C101-C104 PolarHBondContact O-N 3.48Å; C101-G105 PolarHBondContact O-N 3.41Å; C101-I106 HydrophobicContact CB-CB 4.44Å; C101-I106 VanDerWaalsContact CB-O 3.3Å; C101-I106 WeakPolarHBondContact CB-O 3.27Å; C101-I106 PolarHBondContact N-O 3.13Å; C101-W121 CarbonylContact C-O 3.6Å; C101-W121 WeakPolarHBondContact CA-O 3.38Å; C101-C123 HydrophobicContact CB-CB 3.99Å; C101-C123 PolarHBondContact SG-N 3.15Å; C101-C123 VanDerWaalsContact SG-N 3.41Å
102	S	87.1	Confident	78.5	Confident	43 Å²	43	61.2 Å²	61.2	30%	0.301	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	4.8	-175.5	-48.4	0	0	0	0	115.8	A100 W121 W247	A100-S102 PolarHBondContact O-N 3.25Å; A100-S102 VanDerWaalsContact O-N 3.16Å; S102-W121 PolarHBondContact N-O 3.48Å; S102-W121 PolarHBondContact OG-O 3Å; S102-W247 WeakPolarHBondContact O-CH2 3.42Å
103	Y	85.5	Confident	81.3	Confident	3 Å²	3	50.6 Å²	50.6	1%	0.012	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-40.7	168.9	-69	-24.4	0	0	0	113.3	C101 F122 H133 H137 I235 I240 L243 E244 W247	C101-Y103 PolarHBondContact O-N 2.88Å; Y103-F122 HydrophobicContact CD1-CD1 4.44Å; Y103-F122 AromaticContact CD1-CE1 3.99Å; Y103-F122 HydrophobicContact CD1-CE1 3.99Å; Y103-F122 HydrophobicContact CD2-CD1 4Å; Y103-F122 HydrophobicContact CD2-CE1 4.3Å; Y103-F122 HydrophobicContact CE1-CD1 4.47Å; Y103-F122 AromaticContact CE1-CE1 3.84Å; Y103-F122 HydrophobicContact CE1-CE1 3.84Å; Y103-F122 AromaticContact CE2-CD1 3.99Å; Y103-F122 HydrophobicContact CE2-CD1 3.99Å; Y103-F122 HydrophobicContact CE2-CE1 4.13Å; Y103-F122 HydrophobicContact CG-CD1 4.22Å; Y103-F122 HydrophobicContact CG-CE1 4.23Å; Y103-F122 AromaticContact CZ-CE1 3.91Å; Y103-H133 HydrophobicContact CD2-CB 3.7Å; Y103-H133 AromaticContact CD2-CD2 3.8Å; Y103-H133 AromaticContact CD2-CG 3.78Å; Y103-H133 HydrophobicContact CE2-CB 4.25Å; Y103-H133 WeakPolarHBondContact CE2-O 3.43Å; Y103-H137 HydrophobicContact CE2-CB 4.22Å; Y103-H137 WeakPolarHBondContact OH-CA 3.25Å; Y103-I235 HydrophobicContact CD1-CD1 4.47Å; Y103-I235 HydrophobicContact CG-CD1 4.5Å; Y103-I235 WeakPolarHBondContact O-CD1 3.39Å; Y103-I240 HydrophobicContact CD1-CG1 4.19Å; Y103-I240 HydrophobicContact CD2-CD1 3.89Å; Y103-I240 HydrophobicContact CD2-CG1 4.22Å; Y103-I240 HydrophobicContact CE1-CG1 4.26Å; Y103-I240 HydrophobicContact CE1-CG2 3.94Å; Y103-I240 HydrophobicContact CE2-CD1 4.12Å; Y103-I240 HydrophobicContact CE2-CG1 4.34Å; Y103-I240 HydrophobicContact CE2-CG2 4.06Å; Y103-I240 HydrophobicContact CG-CD1 4.23Å; Y103-I240 HydrophobicContact CG-CG1 4.16Å; Y103-L243 HydrophobicContact CD1-CD2 4.18Å; Y103-E244 HydrophobicContact CE1-CG 4.2Å; Y103-E244 WeakPolarHBondContact OH-CG 3.32Å; Y103-E244 PolarHBondContact OH-OE1 2.59Å; Y103-E244 VanDerWaalsContact OH-OE1 3.06Å; Y103-W247 AromaticContact CD1-CH2 3.99Å; Y103-W247 HydrophobicContact CD1-CH2 3.99Å; Y103-W247 HydrophobicContact CD1-CZ3 4.21Å; Y103-W247 AromaticContact CE1-CH2 3.97Å; Y103-W247 HydrophobicContact CE1-CH2 3.97Å; Y103-W247 AromaticContact CE1-CZ3 3.7Å; Y103-W247 HydrophobicContact CE1-CZ3 3.7Å
104	C	83.4	Confident	84.1	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.034	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-6.2	-163.9	69.5	0	0	0	0	115.4	C101 I106 C123 H133 A232 R233 I235	C101-C104 PolarHBondContact O-N 3.48Å; C104-I106 PolarHBondContact O-N 3.35Å; C104-C123 VanDerWaalsContact SG-SG 3.69Å; C104-H133 VanDerWaalsContact SG-CE1 3.51Å; C104-H133 PolarHBondContact SG-ND1 2.96Å; C104-A232 HydrophobicContact CB-CB 4.2Å; C104-A232 WeakPolarHBondContact O-CB 3.45Å; C104-R233 PolarHBondContact O-N 3.44Å; C104-I235 HydrophobicContact CB-CG2 4.32Å
105	G	80.8	Confident	86.4	Confident	18 Å²	18	40 Å²	40	19%	0.186	23%	0.226	C	C	.	.			trans	84.8	-10.3	178.7	0	0	0	0	0	116.3	C101 H107	C101-G105 PolarHBondContact O-N 3.41Å; G105-H107 PolarHBondContact O-CD2 2.95Å; G105-H107 PolarHBondContact O-N 3.16Å
106	I	86.6	Confident	87.8	Confident	14 Å²	14	33.8 Å²	33.8	7%	0.072	19%	0.192	C	C	.	.			trans	-56.1	126.9	178.3	-66.8	177	0	0	0	110.8	C101 C104 C123 P224 Q229 A232	C101-I106 HydrophobicContact CB-CB 4.44Å; C101-I106 VanDerWaalsContact CB-O 3.3Å; C101-I106 WeakPolarHBondContact CB-O 3.27Å; C101-I106 PolarHBondContact N-O 3.13Å; C104-I106 PolarHBondContact O-N 3.35Å; I106-C123 HydrophobicContact CB-CB 4.1Å; I106-C123 HydrophobicContact CG2-CB 3.89Å; I106-P224 HydrophobicContact CD1-CB 4.13Å; I106-P224 HydrophobicContact CD1-CG 4.03Å; I106-P224 HydrophobicContact CG2-CB 4.25Å; I106-P224 HydrophobicContact CG2-CG 3.84Å; I106-Q229 HydrophobicContact CD1-CG 4.01Å; I106-A232 HydrophobicContact CD1-CB 3.88Å; I106-A232 HydrophobicContact CG1-CB 3.62Å
107	H	89.4	Confident	87.9	Confident	90 Å²	90	32.8 Å²	32.8	42%	0.417	19%	0.191	S	C	.	.			trans	-135.7	24.3	-168.8	66	69.8	0	0	0	113.9	P97 H99 A100 G105 P109	P97-H107 HydrophobicContact CB-CB 4.42Å; P97-H107 HydrophobicContact CG-CB 4.18Å; H99-H107 PolarHBondContact CD2-O 2.71Å; H99-H107 PolarHBondContact NE2-O 3.41Å; A100-H107 HydrophobicContact CB-CB 3.82Å; G105-H107 PolarHBondContact O-CD2 2.95Å; G105-H107 PolarHBondContact O-N 3.16Å; H107-P109 VanDerWaalsContact O-CD 3.29Å; H107-P109 WeakPolarHBondContact O-CD 3.49Å
108	D	88.9	Confident	87.9	Confident	47 Å²	47	32 Å²	32	25%	0.251	19%	0.187	S	C	.	.			trans	-67.9	119.7	167.3	165.3	26.1	0	0	0	109.7	A110 C111 V112	D108-A110 PolarHBondContact O-N 3.1Å; D108-A110 VanDerWaalsContact O-N 3.1Å; D108-A110 PolarHBondContact OD1-N 3.03Å; D108-C111 HydrophobicContact CB-CB 4.08Å; D108-C111 PolarHBondContact O-N 3.42Å; D108-C111 PolarHBondContact OD2-N 3.5Å; D108-C111 PolarHBondContact OD2-SG 3Å; D108-V112 WeakPolarHBondContact O-CG2 3.28Å; D108-V112 PolarHBondContact O-N 3.08Å
109	P	89.5	Confident	88.1	Confident	35 Å²	35	31.9 Å²	31.9	23%	0.227	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-38.4	172.5	-35.8	41.2	0	0	0	115.9	H107 C111 H149 D151	H107-P109 VanDerWaalsContact O-CD 3.29Å; H107-P109 WeakPolarHBondContact O-CD 3.49Å; P109-C111 VanDerWaalsContact C-N 3.31Å; P109-C111 PolarHBondContact O-N 2.94Å; P109-H149 WeakPolarHBondContact CB-ND1 3.43Å; P109-H149 WeakPolarHBondContact O-CB 3.47Å; P109-D151 HydrophobicContact CB-CB 4.04Å
110	A	90.8	Very high	88.2	Confident	10 Å²	10	31.9 Å²	31.9	8%	0.083	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-12	-177.1	0	0	0	0	0	113.6	D108 K222	D108-A110 PolarHBondContact O-N 3.1Å; D108-A110 VanDerWaalsContact O-N 3.1Å; D108-A110 PolarHBondContact OD1-N 3.03Å; A110-K222 HydrophobicContact CB-CB 4.44Å; A110-K222 HydrophobicContact CB-CD 3.7Å; A110-K222 HydrophobicContact CB-CG 4.11Å; A110-K222 WeakPolarHBondContact O-CB 3.21Å; A110-K222 PolarHBondContact O-N 3.1Å
111	C	92.5	Very high	88.5	Confident	2 Å²	2	33.2 Å²	33.2	1%	0.014	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-7.5	-179.2	-73.5	0	0	0	0	114.6	D108 P109 C123 N124 K222 P224	D108-C111 HydrophobicContact CB-CB 4.08Å; D108-C111 PolarHBondContact O-N 3.42Å; D108-C111 PolarHBondContact OD2-N 3.5Å; D108-C111 PolarHBondContact OD2-SG 3Å; P109-C111 VanDerWaalsContact C-N 3.31Å; P109-C111 PolarHBondContact O-N 2.94Å; C111-C123 CarbonylContact O-C 3.48Å; C111-C123 WeakPolarHBondContact O-CA 3.43Å; C111-N124 PolarHBondContact O-N 3.49Å; C111-K222 WeakPolarHBondContact CA-O 3.34Å; C111-K222 VanDerWaalsContact SG-C 3.57Å; C111-K222 VanDerWaalsContact SG-CB 3.57Å; C111-K222 PolarHBondContact SG-O 2.71Å; C111-K222 VanDerWaalsContact SG-O 3.32Å; C111-P224 HydrophobicContact CB-CG 3.76Å; C111-P224 VanDerWaalsContact SG-N 3.38Å
112	V	92.8	Very high	88.8	Confident	2 Å²	2	33 Å²	33	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	148.9	-174.9	-63.4	0	0	0	0	113.7	H99 D108 W121 C123 H149	H99-V112 HydrophobicContact CB-CG2 4.28Å; D108-V112 WeakPolarHBondContact O-CG2 3.28Å; D108-V112 PolarHBondContact O-N 3.08Å; V112-W121 HydrophobicContact CB-CE3 4.06Å; V112-W121 HydrophobicContact CG2-CE3 3.85Å; V112-W121 HydrophobicContact CG2-CZ3 4.09Å; V112-C123 HydrophobicContact CG1-CB 4.22Å; V112-H149 HydrophobicContact CG2-CB 4.29Å
113	V	94.5	Very high	89.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.2	-177	-176.8	0	0	0	0	109	W121 F122 I134 V146 V221	V113-W121 VanDerWaalsContact C-CE3 3.48Å; V113-W121 WeakPolarHBondContact O-CA 3.41Å; V113-F122 PolarHBondContact N-O 3.5Å; V113-F122 PolarHBondContact O-N 2.65Å; V113-I134 HydrophobicContact CB-CB 4.36Å; V113-I134 HydrophobicContact CB-CD1 4Å; V113-I134 HydrophobicContact CB-CG1 3.85Å; V113-I134 HydrophobicContact CG1-CD1 3.92Å; V113-I134 HydrophobicContact CG1-CG1 3.9Å; V113-I134 HydrophobicContact CG2-CG1 4.38Å; V113-I134 HydrophobicContact CG2-CG2 4.42Å; V113-V146 HydrophobicContact CG1-CB 3.53Å; V113-V146 HydrophobicContact CG1-CG1 3.82Å; V113-V146 HydrophobicContact CG1-CG2 3.93Å; V113-V221 HydrophobicContact CG2-CB 4.31Å; V113-V221 HydrophobicContact CG2-CG1 3.71Å; V113-V221 HydrophobicContact CG2-CG2 3.74Å
114	Y	94.9	Very high	89.5	Confident	57 Å²	57	30.8 Å²	30.8	22%	0.224	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	130.8	176	-169.5	-124.7	0	0	0	111	N116 K119 W121 V146 T147	Y114-N116 WeakPolarHBondContact CD1-OD1 3.21Å; Y114-K119 HydrophobicContact CE1-CD 4.34Å; Y114-K119 VanDerWaalsContact CE2-C 3.41Å; Y114-K119 WeakPolarHBondContact CE2-O 3.47Å; Y114-K119 WeakPolarHBondContact OH-CA 3.36Å; Y114-K119 WeakPolarHBondContact OH-CB 3.22Å; Y114-K119 VanDerWaalsContact OH-CD 3.26Å; Y114-K119 WeakPolarHBondContact OH-CD 3.31Å; Y114-W121 AromaticContact CD2-CD1 3.61Å; Y114-W121 AromaticContact CD2-CD2 3.75Å; Y114-W121 HydrophobicContact CD2-CD2 3.75Å; Y114-W121 AromaticContact CD2-CE2 3.41Å; Y114-W121 VanDerWaalsContact CD2-CE2 3.41Å; Y114-W121 AromaticContact CD2-CG 3.87Å; Y114-W121 HydrophobicContact CD2-CG 3.87Å; Y114-W121 AromaticContact CD2-CZ2 3.91Å; Y114-W121 HydrophobicContact CD2-CZ2 3.91Å; Y114-W121 AromaticContact CD2-NE1 3.33Å; Y114-W121 VanDerWaalsContact CD2-NE1 3.33Å; Y114-W121 AromaticContact CE2-CD1 3.95Å; Y114-W121 AromaticContact CE2-NE1 3.65Å; Y114-W121 HydrophobicContact CG-CD2 4.31Å; Y114-W121 AromaticContact CG-CE2 3.97Å; Y114-W121 HydrophobicContact CG-CH2 4.4Å; Y114-W121 HydrophobicContact CG-CZ2 4.04Å; Y114-V146 WeakPolarHBondContact O-CA 3.38Å; Y114-V146 WeakPolarHBondContact O-CB 3.17Å; Y114-T147 WeakPolarHBondContact CB-O 3.27Å; Y114-T147 PolarHBondContact N-O 2.78Å; Y114-T147 PolarHBondContact O-N 3.14Å; Y114-T147 VanDerWaalsContact O-N 3.08Å
115	C	91.3	Very high	89.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	110.7	171.2	-178.5	0	0	0	0	109.8	T117 S118 K119 K120 F122 H137 S143	C115-T117 PolarHBondContact O-N 3.11Å; C115-T117 VanDerWaalsContact O-N 3.15Å; C115-S118 VanDerWaalsContact CB-OG 3.31Å; C115-S118 WeakPolarHBondContact CB-OG 3.43Å; C115-S118 PolarHBondContact SG-OG 2.96Å; C115-K119 WeakPolarHBondContact O-CA 3.47Å; C115-K119 PolarHBondContact O-N 3.12Å; C115-K120 PolarHBondContact N-O 3.45Å; C115-F122 HydrophobicContact CB-CD2 4.33Å; C115-F122 HydrophobicContact CB-CE2 4.21Å; C115-H137 PolarHBondContact SG-NE2 3.21Å; C115-H137 VanDerWaalsContact SG-NE2 3.39Å; C115-S143 WeakPolarHBondContact SG-CB 3.3Å
116	N	87.3	Confident	89.9	Confident	24 Å²	24	34.6 Å²	34.6	13%	0.128	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.9	-172.8	-68.7	-7.6	0	0	0	113.2	Y114 K119 E145 T147	Y114-N116 WeakPolarHBondContact CD1-OD1 3.21Å; N116-K119 WeakPolarHBondContact O-CD 3.47Å; N116-K119 WeakPolarHBondContact O-CE 3.4Å; N116-K119 PolarHBondContact O-NZ 3.13Å; N116-E145 HydrophobicContact CB-CB 3.99Å; N116-E145 PolarHBondContact N-O 3.08Å; N116-E145 VanDerWaalsContact N-O 3.17Å; N116-T147 PolarHBondContact ND2-OG1 3.34Å; N116-T147 PolarHBondContact OD1-OG1 3.42Å
117	T	79.9	Confident	89.7	Confident	91 Å²	91	35.6 Å²	35.6	56%	0.558	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-52	-179.3	-47.5	0	0	0	0	112.1	C115 K119 S143	C115-T117 PolarHBondContact O-N 3.11Å; C115-T117 VanDerWaalsContact O-N 3.15Å; T117-K119 VanDerWaalsContact C-N 3.34Å; T117-S143 WeakPolarHBondContact CB-OG 3.2Å
118	S	81.8	Confident	89.1	Confident	36 Å²	36	35.7 Å²	35.7	25%	0.252	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.2	-177.7	66.2	0	0	0	0	114.1	C115 K120 H137	C115-S118 VanDerWaalsContact CB-OG 3.31Å; C115-S118 WeakPolarHBondContact CB-OG 3.43Å; C115-S118 PolarHBondContact SG-OG 2.96Å; S118-K120 PolarHBondContact O-N 3.14Å; S118-H137 WeakPolarHBondContact CB-NE2 3.46Å; S118-H137 PolarHBondContact OG-CE1 3.46Å; S118-H137 PolarHBondContact OG-NE2 2.84Å
119	K	89.3	Confident	88.6	Confident	135 Å²	135	34.5 Å²	34.5	59%	0.587	18%	0.18	S	C	*	.			trans	58.6	24.3	-176.8	-54.1	-60.8	-178.6	-165.8	0	113.9	Y114 C115 N116 T117	Y114-K119 HydrophobicContact CE1-CD 4.34Å; Y114-K119 VanDerWaalsContact CE2-C 3.41Å; Y114-K119 WeakPolarHBondContact CE2-O 3.47Å; Y114-K119 WeakPolarHBondContact OH-CA 3.36Å; Y114-K119 WeakPolarHBondContact OH-CB 3.22Å; Y114-K119 VanDerWaalsContact OH-CD 3.26Å; Y114-K119 WeakPolarHBondContact OH-CD 3.31Å; C115-K119 WeakPolarHBondContact O-CA 3.47Å; C115-K119 PolarHBondContact O-N 3.12Å; N116-K119 WeakPolarHBondContact O-CD 3.47Å; N116-K119 WeakPolarHBondContact O-CE 3.4Å; N116-K119 PolarHBondContact O-NZ 3.13Å; T117-K119 VanDerWaalsContact C-N 3.34Å
120	K	90.9	Very high	88	Confident	42 Å²	42	36.7 Å²	36.7	18%	0.183	20%	0.196	C	C	.	.			trans	-116.6	155.3	-179	-72.5	176.8	-176.2	-178.1	0	111.8	C115 S118 F122 W247 P251	C115-K120 PolarHBondContact N-O 3.45Å; S118-K120 PolarHBondContact O-N 3.14Å; K120-F122 HydrophobicContact CB-CE2 3.52Å; K120-F122 HydrophobicContact CB-CZ 3.74Å; K120-F122 HydrophobicContact CD-CZ 4.44Å; K120-W247 HydrophobicContact CD-CH2 4.21Å; K120-W247 HydrophobicContact CD-CZ2 4.38Å; K120-W247 HydrophobicContact CD-CZ3 4.27Å; K120-W247 VanDerWaalsContact NZ-CD2 3.27Å; K120-P251 PolarHBondContact NZ-O 2.72Å
121	W	93.6	Very high	87.7	Confident	39 Å²	39	36.5 Å²	36.5	15%	0.148	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	144.1	178.8	-69.8	87.6	0	0	0	111.7	H99 C101 S102 V112 V113 Y114 H149	H99-W121 HydrophobicContact CB-CD2 3.81Å; H99-W121 HydrophobicContact CB-CE3 4.13Å; H99-W121 HydrophobicContact CB-CG 4.15Å; H99-W121 HydrophobicContact CB-CZ2 4.33Å; H99-W121 WeakPolarHBondContact O-CB 3.47Å; C101-W121 CarbonylContact C-O 3.6Å; C101-W121 WeakPolarHBondContact CA-O 3.38Å; S102-W121 PolarHBondContact N-O 3.48Å; S102-W121 PolarHBondContact OG-O 3Å; V112-W121 HydrophobicContact CB-CE3 4.06Å; V112-W121 HydrophobicContact CG2-CE3 3.85Å; V112-W121 HydrophobicContact CG2-CZ3 4.09Å; V113-W121 VanDerWaalsContact C-CE3 3.48Å; V113-W121 WeakPolarHBondContact O-CA 3.41Å; Y114-W121 AromaticContact CD2-CD1 3.61Å; Y114-W121 AromaticContact CD2-CD2 3.75Å; Y114-W121 HydrophobicContact CD2-CD2 3.75Å; Y114-W121 AromaticContact CD2-CE2 3.41Å; Y114-W121 VanDerWaalsContact CD2-CE2 3.41Å; Y114-W121 AromaticContact CD2-CG 3.87Å; Y114-W121 HydrophobicContact CD2-CG 3.87Å; Y114-W121 AromaticContact CD2-CZ2 3.91Å; Y114-W121 HydrophobicContact CD2-CZ2 3.91Å; Y114-W121 AromaticContact CD2-NE1 3.33Å; Y114-W121 VanDerWaalsContact CD2-NE1 3.33Å; Y114-W121 AromaticContact CE2-CD1 3.95Å; Y114-W121 AromaticContact CE2-NE1 3.65Å; Y114-W121 HydrophobicContact CG-CD2 4.31Å; Y114-W121 AromaticContact CG-CE2 3.97Å; Y114-W121 HydrophobicContact CG-CH2 4.4Å; Y114-W121 HydrophobicContact CG-CZ2 4.04Å; W121-H149 HydrophobicContact CH2-CB 4.05Å; W121-H149 AromaticContact CH2-CD2 3.48Å; W121-H149 VanDerWaalsContact CH2-CD2 3.48Å; W121-H149 WeakPolarHBondContact CH2-CD2 3.27Å; W121-H149 HydrophobicContact CZ3-CB 3.86Å; W121-H149 AromaticContact CZ3-CD2 3.76Å
122	F	94.3	Very high	87.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.6	178.9	-57.5	-91.8	0	0	0	111.1	Y103 V113 C115 K120 I134 H137 W247	Y103-F122 HydrophobicContact CD1-CD1 4.44Å; Y103-F122 AromaticContact CD1-CE1 3.99Å; Y103-F122 HydrophobicContact CD1-CE1 3.99Å; Y103-F122 HydrophobicContact CD2-CD1 4Å; Y103-F122 HydrophobicContact CD2-CE1 4.3Å; Y103-F122 HydrophobicContact CE1-CD1 4.47Å; Y103-F122 AromaticContact CE1-CE1 3.84Å; Y103-F122 HydrophobicContact CE1-CE1 3.84Å; Y103-F122 AromaticContact CE2-CD1 3.99Å; Y103-F122 HydrophobicContact CE2-CD1 3.99Å; Y103-F122 HydrophobicContact CE2-CE1 4.13Å; Y103-F122 HydrophobicContact CG-CD1 4.22Å; Y103-F122 HydrophobicContact CG-CE1 4.23Å; Y103-F122 AromaticContact CZ-CE1 3.91Å; V113-F122 PolarHBondContact N-O 3.5Å; V113-F122 PolarHBondContact O-N 2.65Å; C115-F122 HydrophobicContact CB-CD2 4.33Å; C115-F122 HydrophobicContact CB-CE2 4.21Å; K120-F122 HydrophobicContact CB-CE2 3.52Å; K120-F122 HydrophobicContact CB-CZ 3.74Å; K120-F122 HydrophobicContact CD-CZ 4.44Å; F122-I134 HydrophobicContact CB-CB 3.78Å; F122-I134 HydrophobicContact CB-CD1 3.95Å; F122-I134 HydrophobicContact CB-CG1 4.46Å; F122-I134 HydrophobicContact CD2-CD1 4.13Å; F122-I134 HydrophobicContact CG-CD1 4.41Å; F122-H137 HydrophobicContact CD1-CB 3.85Å; F122-H137 HydrophobicContact CD2-CB 4.16Å; F122-H137 AromaticContact CD2-CD2 3.61Å; F122-H137 AromaticContact CD2-CG 3.87Å; F122-H137 HydrophobicContact CE1-CB 3.8Å; F122-H137 AromaticContact CE1-CG 3.7Å; F122-H137 AromaticContact CE1-ND1 3.84Å; F122-H137 HydrophobicContact CE2-CB 4.13Å; F122-H137 AromaticContact CE2-CD2 3.16Å; F122-H137 WeakPolarHBondContact CE2-CD2 3.47Å; F122-H137 AromaticContact CE2-CE1 3.76Å; F122-H137 AromaticContact CE2-CG 3.41Å; F122-H137 VanDerWaalsContact CE2-CG 3.41Å; F122-H137 AromaticContact CE2-ND1 3.78Å; F122-H137 AromaticContact CE2-NE2 3.41Å; F122-H137 WeakPolarHBondContact CE2-NE2 3.42Å; F122-H137 HydrophobicContact CG-CB 4.04Å; F122-H137 HydrophobicContact CZ-CB 3.96Å; F122-H137 AromaticContact CZ-CD2 3.58Å; F122-H137 AromaticContact CZ-CE1 3.56Å; F122-H137 AromaticContact CZ-CG 3.32Å; F122-H137 AromaticContact CZ-ND1 3.32Å; F122-H137 VanDerWaalsContact CZ-ND1 3.32Å; F122-H137 WeakPolarHBondContact CZ-ND1 3.4Å; F122-H137 AromaticContact CZ-NE2 3.73Å; F122-W247 HydrophobicContact CE1-CH2 4.32Å; F122-W247 HydrophobicContact CE1-CZ3 4.07Å; F122-W247 HydrophobicContact CZ-CH2 4.45Å; F122-W247 HydrophobicContact CZ-CZ3 4.02Å
123	C	93.4	Very high	87.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	161.5	179.8	69	0	0	0	0	113	C101 C104 I106 C111 V112 G125 H133 I134 P224	C101-C123 HydrophobicContact CB-CB 3.99Å; C101-C123 PolarHBondContact SG-N 3.15Å; C101-C123 VanDerWaalsContact SG-N 3.41Å; C104-C123 VanDerWaalsContact SG-SG 3.69Å; I106-C123 HydrophobicContact CB-CB 4.1Å; I106-C123 HydrophobicContact CG2-CB 3.89Å; C111-C123 CarbonylContact O-C 3.48Å; C111-C123 WeakPolarHBondContact O-CA 3.43Å; V112-C123 HydrophobicContact CG1-CB 4.22Å; C123-G125 VanDerWaalsContact C-N 3.26Å; C123-H133 WeakPolarHBondContact O-CB 3.44Å; C123-H133 PolarHBondContact O-N 3.37Å; C123-H133 PolarHBondContact SG-ND1 3.36Å; C123-I134 PolarHBondContact O-N 3.03Å; C123-P224 HydrophobicContact CB-CG 4.47Å
124	N	94.2	Very high	87.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-84.7	5.4	172.2	-158.2	30.5	0	0	0	113.4	C111 S132 C215 F216 V221 K222	C111-N124 PolarHBondContact O-N 3.49Å; N124-S132 VanDerWaalsContact C-CB 3.42Å; N124-S132 WeakPolarHBondContact O-CB 3.35Å; N124-S132 WeakPolarHBondContact OD1-CB 3.39Å; N124-S132 PolarHBondContact OD1-OG 3.41Å; N124-C215 VanDerWaalsContact OD1-CB 3.3Å; N124-C215 WeakPolarHBondContact OD1-CB 3.49Å; N124-F216 PolarHBondContact ND2-O 2.61Å; N124-F216 PolarHBondContact OD1-N 3.28Å; N124-V221 HydrophobicContact CB-CB 4.25Å; N124-V221 HydrophobicContact CB-CG1 3.71Å; N124-V221 PolarHBondContact ND2-O 3.24Å; N124-K222 WeakPolarHBondContact CB-O 3.47Å
125	G	87.9	Confident	87.1	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.			trans	-69.3	152.2	169.7	0	0	0	0	0	112.4	C123 S132 H133	C123-G125 VanDerWaalsContact C-N 3.26Å; G125-S132 CarbonylContact O-C 3.52Å; G125-S132 WeakPolarHBondContact O-CA 3.27Å; G125-S132 WeakPolarHBondContact O-CB 2.98Å; G125-H133 PolarHBondContact O-N 3.04Å
126	R	84.6	Confident	86.9	Confident	103 Å²	103	35.3 Å²	35.3	39%	0.389	19%	0.193	S	C	.	.			trans	-95.7	-31.9	-177.1	-63.9	-176.1	176.3	173.7	-1.8	113.1	T129 G131 D213 C215	R126-T129 PolarHBondContact O-N 2.88Å; R126-T129 VanDerWaalsContact O-N 3.09Å; R126-T129 PolarHBondContact O-OG1 3.17Å; R126-G131 WeakPolarHBondContact CA-O 3.38Å; R126-D213 PolarHBondContact NH2-O 3.26Å; R126-D213 VanDerWaalsContact NH2-O 3.13Å; R126-C215 PolarHBondContact NH2-SG 3.13Å
127	G	82.3	Confident	86.9	Confident	34 Å²	34	34.3 Å²	34.3	35%	0.351	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	-139	-175.5	0	0	0	0	0	112.1	T129	G127-T129 PolarHBondContact O-N 3.37Å
128	N	76.6	Confident	87	Confident	93 Å²	93	30 Å²	30	50%	0.497	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	32.7	177.5	-60.1	-46.4	0	0	0	113.3	Q234	N128-Q234 PolarHBondContact ND2-OE1 3.3Å
129	T	79.4	Confident	86.9	Confident	21 Å²	21	30.5 Å²	30.5	13%	0.129	16%	0.162	C	C	.	.	S	Bend	trans	-134.8	158.6	-174.6	84.3	0	0	0	0	114.2	R126 G127 G131 A237 I240	R126-T129 PolarHBondContact O-N 2.88Å; R126-T129 VanDerWaalsContact O-N 3.09Å; R126-T129 PolarHBondContact O-OG1 3.17Å; G127-T129 PolarHBondContact O-N 3.37Å; T129-G131 PolarHBondContact O-N 3.12Å; T129-G131 VanDerWaalsContact O-N 3.13Å; T129-G131 PolarHBondContact OG1-O 3.35Å; T129-A237 HydrophobicContact CG2-CB 4.31Å; T129-I240 HydrophobicContact CG2-CD1 3.71Å
130	S	76	Confident	86.3	Confident	82 Å²	82	28 Å²	28	57%	0.573	15%	0.149	S	C	*	.	S	Bend	trans	-83.3	26	-171.8	68.7	0	0	0	0	115.8	R214 Q827	S130-R214 VanDerWaalsContact O-CD 3.23Å; S130-R214 WeakPolarHBondContact O-CD 3.3Å; S130-R214 PolarHBondContact O-NH1 3.14Å; S130-R214 VanDerWaalsContact O-NH1 3.1Å; S130-R214 PolarHBondContact OG-NH1 3.5Å; S130-Q827 PolarHBondContact O-NE2 3.09Å
131	G	83.8	Confident	85.6	Confident	5 Å²	5	27.8 Å²	27.8	5%	0.052	16%	0.155	C	C	.	.	S	Bend	trans	177.5	175.5	-176.7	0	0	0	0	0	109.3	R126 T129	R126-G131 WeakPolarHBondContact CA-O 3.38Å; T129-G131 PolarHBondContact O-N 3.12Å; T129-G131 VanDerWaalsContact O-N 3.13Å; T129-G131 PolarHBondContact OG1-O 3.35Å
132	S	91.3	Very high	84.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.			trans	-76	155.1	179	67.8	0	0	0	0	113.2	N124 G125 I134 V135 N136 R214 C215	N124-S132 VanDerWaalsContact C-CB 3.42Å; N124-S132 WeakPolarHBondContact O-CB 3.35Å; N124-S132 WeakPolarHBondContact OD1-CB 3.39Å; N124-S132 PolarHBondContact OD1-OG 3.41Å; G125-S132 CarbonylContact O-C 3.52Å; G125-S132 WeakPolarHBondContact O-CA 3.27Å; G125-S132 WeakPolarHBondContact O-CB 2.98Å; S132-I134 VanDerWaalsContact C-N 3.32Å; S132-I134 PolarHBondContact O-N 3.15Å; S132-I134 WeakPolarHBondContact OG-CG2 3.36Å; S132-V135 PolarHBondContact O-N 3.35Å; S132-V135 VanDerWaalsContact O-N 3.15Å; S132-N136 VanDerWaalsContact O-CB 3.29Å; S132-N136 WeakPolarHBondContact O-CB 3.4Å; S132-N136 PolarHBondContact O-N 3.42Å; S132-R214 PolarHBondContact N-O 3.49Å; S132-C215 WeakPolarHBondContact OG-CA 3.39Å
133	H	90.9	Very high	83.8	Confident	4 Å²	4	29.8 Å²	29.8	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-56.5	-43.1	-179.1	-71.8	155	0	0	0	112.7	Y103 C104 C123 G125 N136 H137	Y103-H133 HydrophobicContact CD2-CB 3.7Å; Y103-H133 AromaticContact CD2-CD2 3.8Å; Y103-H133 AromaticContact CD2-CG 3.78Å; Y103-H133 HydrophobicContact CE2-CB 4.25Å; Y103-H133 WeakPolarHBondContact CE2-O 3.43Å; C104-H133 VanDerWaalsContact SG-CE1 3.51Å; C104-H133 PolarHBondContact SG-ND1 2.96Å; C123-H133 WeakPolarHBondContact O-CB 3.44Å; C123-H133 PolarHBondContact O-N 3.37Å; C123-H133 PolarHBondContact SG-ND1 3.36Å; G125-H133 PolarHBondContact O-N 3.04Å; H133-N136 PolarHBondContact O-N 3.35Å; H133-H137 WeakPolarHBondContact O-CB 3.44Å; H133-H137 PolarHBondContact O-N 3.26Å
134	I	92.7	Very high	83.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-49.9	173.2	-179.2	65.1	0	0	0	112.1	V113 F122 C123 S132 N136 H137 L138 V146 F216	V113-I134 HydrophobicContact CB-CB 4.36Å; V113-I134 HydrophobicContact CB-CD1 4Å; V113-I134 HydrophobicContact CB-CG1 3.85Å; V113-I134 HydrophobicContact CG1-CD1 3.92Å; V113-I134 HydrophobicContact CG1-CG1 3.9Å; V113-I134 HydrophobicContact CG2-CG1 4.38Å; V113-I134 HydrophobicContact CG2-CG2 4.42Å; F122-I134 HydrophobicContact CB-CB 3.78Å; F122-I134 HydrophobicContact CB-CD1 3.95Å; F122-I134 HydrophobicContact CB-CG1 4.46Å; F122-I134 HydrophobicContact CD2-CD1 4.13Å; F122-I134 HydrophobicContact CG-CD1 4.41Å; C123-I134 PolarHBondContact O-N 3.03Å; S132-I134 VanDerWaalsContact C-N 3.32Å; S132-I134 PolarHBondContact O-N 3.15Å; S132-I134 WeakPolarHBondContact OG-CG2 3.36Å; I134-N136 VanDerWaalsContact C-N 3.33Å; I134-N136 PolarHBondContact O-N 2.92Å; I134-H137 PolarHBondContact O-N 2.9Å; I134-L138 HydrophobicContact CD1-CD1 4.14Å; I134-L138 HydrophobicContact CD1-CD2 4.23Å; I134-L138 HydrophobicContact CD1-CG 3.95Å; I134-L138 HydrophobicContact CG1-CD1 3.9Å; I134-L138 HydrophobicContact CG1-CG 4.16Å; I134-L138 VanDerWaalsContact O-CG 3.28Å; I134-L138 WeakPolarHBondContact O-CG 3.45Å; I134-L138 PolarHBondContact O-N 2.9Å; I134-V146 HydrophobicContact CD1-CG1 4.41Å; I134-F216 HydrophobicContact CB-CE2 4.44Å; I134-F216 HydrophobicContact CG1-CE2 3.78Å; I134-F216 HydrophobicContact CG2-CD2 3.67Å; I134-F216 HydrophobicContact CG2-CE2 3.76Å
135	V	88.4	Confident	82.8	Confident	5 Å²	5	35.6 Å²	35.6	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-38.6	-179.2	175.5	0	0	0	0	111.2	S132 L138 V139 I211 R214 F216 I736	S132-V135 PolarHBondContact O-N 3.35Å; S132-V135 VanDerWaalsContact O-N 3.15Å; V135-L138 PolarHBondContact O-N 3.32Å; V135-V139 HydrophobicContact CG1-CG2 4.39Å; V135-V139 WeakPolarHBondContact O-CB 3.4Å; V135-V139 VanDerWaalsContact O-CG2 3.24Å; V135-V139 WeakPolarHBondContact O-CG2 3.42Å; V135-V139 PolarHBondContact O-N 2.85Å; V135-V139 VanDerWaalsContact O-N 3.1Å; V135-I211 HydrophobicContact CG1-CG2 4.47Å; V135-I211 HydrophobicContact CG2-CD1 4.26Å; V135-I211 HydrophobicContact CG2-CG1 4.48Å; V135-I211 HydrophobicContact CG2-CG2 4.06Å; V135-R214 WeakPolarHBondContact CB-O 3.38Å; V135-R214 HydrophobicContact CG1-CB 4.2Å; V135-R214 WeakPolarHBondContact CG2-O 3.34Å; V135-F216 HydrophobicContact CG2-CD2 4.16Å; V135-F216 HydrophobicContact CG2-CE2 4.13Å; V135-I736 HydrophobicContact CG1-CD1 4.4Å
136	N	85.9	Confident	83	Confident	28 Å²	28	35.6 Å²	35.6	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-38.1	176.1	-168.9	27.8	0	0	0	111.7	S132 H133 I134 R140	S132-N136 VanDerWaalsContact O-CB 3.29Å; S132-N136 WeakPolarHBondContact O-CB 3.4Å; S132-N136 PolarHBondContact O-N 3.42Å; H133-N136 PolarHBondContact O-N 3.35Å; I134-N136 VanDerWaalsContact C-N 3.33Å; I134-N136 PolarHBondContact O-N 2.92Å; N136-R140 WeakPolarHBondContact O-CD 3.49Å; N136-R140 WeakPolarHBondContact O-CG 3.41Å; N136-R140 PolarHBondContact O-N 3.07Å; N136-R140 PolarHBondContact OD1-NE 3.11Å; N136-R140 PolarHBondContact OD1-NH2 2.54Å
137	H	87.1	Confident	83.4	Confident	2 Å²	2	31.3 Å²	31.3	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-53.4	171.4	174	67.3	0	0	0	112.5	Y103 C115 S118 F122 H133 I134 V139 R140 A141 E244	Y103-H137 HydrophobicContact CE2-CB 4.22Å; Y103-H137 WeakPolarHBondContact OH-CA 3.25Å; C115-H137 PolarHBondContact SG-NE2 3.21Å; C115-H137 VanDerWaalsContact SG-NE2 3.39Å; S118-H137 WeakPolarHBondContact CB-NE2 3.46Å; S118-H137 PolarHBondContact OG-CE1 3.46Å; S118-H137 PolarHBondContact OG-NE2 2.84Å; F122-H137 HydrophobicContact CD1-CB 3.85Å; F122-H137 HydrophobicContact CD2-CB 4.16Å; F122-H137 AromaticContact CD2-CD2 3.61Å; F122-H137 AromaticContact CD2-CG 3.87Å; F122-H137 HydrophobicContact CE1-CB 3.8Å; F122-H137 AromaticContact CE1-CG 3.7Å; F122-H137 AromaticContact CE1-ND1 3.84Å; F122-H137 HydrophobicContact CE2-CB 4.13Å; F122-H137 AromaticContact CE2-CD2 3.16Å; F122-H137 WeakPolarHBondContact CE2-CD2 3.47Å; F122-H137 AromaticContact CE2-CE1 3.76Å; F122-H137 AromaticContact CE2-CG 3.41Å; F122-H137 VanDerWaalsContact CE2-CG 3.41Å; F122-H137 AromaticContact CE2-ND1 3.78Å; F122-H137 AromaticContact CE2-NE2 3.41Å; F122-H137 WeakPolarHBondContact CE2-NE2 3.42Å; F122-H137 HydrophobicContact CG-CB 4.04Å; F122-H137 HydrophobicContact CZ-CB 3.96Å; F122-H137 AromaticContact CZ-CD2 3.58Å; F122-H137 AromaticContact CZ-CE1 3.56Å; F122-H137 AromaticContact CZ-CG 3.32Å; F122-H137 AromaticContact CZ-ND1 3.32Å; F122-H137 VanDerWaalsContact CZ-ND1 3.32Å; F122-H137 WeakPolarHBondContact CZ-ND1 3.4Å; F122-H137 AromaticContact CZ-NE2 3.73Å; H133-H137 WeakPolarHBondContact O-CB 3.44Å; H133-H137 PolarHBondContact O-N 3.26Å; I134-H137 PolarHBondContact O-N 2.9Å; H137-V139 PolarHBondContact O-N 2.95Å; H137-R140 PolarHBondContact O-N 3.23Å; H137-A141 WeakPolarHBondContact CE1-CB 3.41Å; H137-A141 PolarHBondContact O-N 3.47Å; H137-E244 IonicContact CE1-OE1 2.93Å; H137-E244 IonicContact CG-OE1 3.07Å; H137-E244 IonicContact ND1-OE1 3.55Å; H137-E244 PolarHBondContact ND1-OE1 3.23Å; H137-E244 IonicContact ND1-OE2 2.65Å
138	L	83.9	Confident	84	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-53.1	-42.2	-178.4	-69.2	174.3	0	0	0	111.9	I134 V135 R140 K142 S143 V146 V169 F170 F216	I134-L138 HydrophobicContact CD1-CD1 4.14Å; I134-L138 HydrophobicContact CD1-CD2 4.23Å; I134-L138 HydrophobicContact CD1-CG 3.95Å; I134-L138 HydrophobicContact CG1-CD1 3.9Å; I134-L138 HydrophobicContact CG1-CG 4.16Å; I134-L138 VanDerWaalsContact O-CG 3.28Å; I134-L138 WeakPolarHBondContact O-CG 3.45Å; I134-L138 PolarHBondContact O-N 2.9Å; V135-L138 PolarHBondContact O-N 3.32Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.47Å; L138-K142 CarbonylContact O-C 3.46Å; L138-K142 VanDerWaalsContact O-CA 3.31Å; L138-K142 WeakPolarHBondContact O-CA 3.11Å; L138-K142 PolarHBondContact O-N 3.19Å; L138-K142 VanDerWaalsContact O-N 3.12Å; L138-S143 WeakPolarHBondContact CB-O 3.34Å; L138-S143 WeakPolarHBondContact CD2-O 3.17Å; L138-S143 PolarHBondContact O-N 3.3Å; L138-V146 HydrophobicContact CD1-CG1 4Å; L138-V146 HydrophobicContact CD2-CG1 3.93Å; L138-V169 HydrophobicContact CD1-CG2 3.89Å; L138-F170 HydrophobicContact CB-CE2 4.29Å; L138-F170 HydrophobicContact CB-CZ 3.8Å; L138-F216 HydrophobicContact CD1-CE2 4.16Å; L138-F216 HydrophobicContact CD1-CZ 4.17Å
139	V	77.7	Confident	84.8	Confident	46 Å²	46	26 Å²	26	28%	0.279	14%	0.14	S	C	.	.	H	α-helix	trans	-68.4	-25.4	177.8	172.8	0	0	0	0	113.4	V135 H137 F170 G740 T741	V135-V139 HydrophobicContact CG1-CG2 4.39Å; V135-V139 WeakPolarHBondContact O-CB 3.4Å; V135-V139 VanDerWaalsContact O-CG2 3.24Å; V135-V139 WeakPolarHBondContact O-CG2 3.42Å; V135-V139 PolarHBondContact O-N 2.85Å; V135-V139 VanDerWaalsContact O-N 3.1Å; H137-V139 PolarHBondContact O-N 2.95Å; V139-F170 HydrophobicContact CG2-CE1 4.02Å; V139-F170 HydrophobicContact CG2-CZ 3.83Å; V139-G740 WeakPolarHBondContact CG2-O 3.37Å; V139-T741 HydrophobicContact CG1-CG2 4.17Å
140	R	77.6	Confident	85.3	Confident	82 Å²	82	31 Å²	31	31%	0.309	16%	0.16	S	C	.	.	H	α-helix	trans	-95.3	-47.9	-176.1	-71.5	170.3	-177.6	-91.9	3.8	113.1	N136 H137 L138 K142 N241 E244	N136-R140 WeakPolarHBondContact O-CD 3.49Å; N136-R140 WeakPolarHBondContact O-CG 3.41Å; N136-R140 PolarHBondContact O-N 3.07Å; N136-R140 PolarHBondContact OD1-NE 3.11Å; N136-R140 PolarHBondContact OD1-NH2 2.54Å; H137-R140 PolarHBondContact O-N 3.23Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 3.47Å; R140-K142 PolarHBondContact O-N 2.76Å; R140-N241 PolarHBondContact NH1-OD1 2.88Å; R140-N241 PolarHBondContact NH2-OD1 3.45Å; R140-E244 HydrophobicContact CB-CB 4.44Å; R140-E244 HydrophobicContact CB-CG 4.19Å; R140-E244 WeakPolarHBondContact CB-OE2 3.49Å
141	A	76.8	Confident	85.9	Confident	38 Å²	38	31.8 Å²	31.8	31%	0.314	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	6.1	172	0	0	0	0	0	113	H137 S143 E244	H137-A141 WeakPolarHBondContact CE1-CB 3.41Å; H137-A141 PolarHBondContact O-N 3.47Å; A141-S143 PolarHBondContact O-N 2.78Å; A141-S143 PolarHBondContact O-OG 3.19Å; A141-S143 VanDerWaalsContact O-OG 3.06Å; A141-E244 PolarHBondContact N-OE2 2.97Å
142	K	69.4	Low	86	Confident	80 Å²	80	32.1 Å²	32.1	35%	0.348	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	28.9	-177.4	-59.2	-174.9	179.3	-177.3	0	113.9	L138 R140	L138-K142 CarbonylContact O-C 3.46Å; L138-K142 VanDerWaalsContact O-CA 3.31Å; L138-K142 WeakPolarHBondContact O-CA 3.11Å; L138-K142 PolarHBondContact O-N 3.19Å; L138-K142 VanDerWaalsContact O-N 3.12Å; R140-K142 PolarHBondContact O-N 2.76Å
143	S	79.5	Confident	85.6	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	18%	0.181	C	C	.	.			trans	-89.1	145.7	-174.7	-60	0	0	0	0	110.1	C115 T117 L138 A141	C115-S143 WeakPolarHBondContact SG-CB 3.3Å; T117-S143 WeakPolarHBondContact CB-OG 3.2Å; L138-S143 WeakPolarHBondContact CB-O 3.34Å; L138-S143 WeakPolarHBondContact CD2-O 3.17Å; L138-S143 PolarHBondContact O-N 3.3Å; A141-S143 PolarHBondContact O-N 2.78Å; A141-S143 PolarHBondContact O-OG 3.19Å; A141-S143 VanDerWaalsContact O-OG 3.06Å
144	K	80.4	Confident	85.2	Confident	48 Å²	48	39.1 Å²	39.1	21%	0.209	20%	0.202	C	C	.	.			trans	-130.5	-23.5	-169.1	-46	-175.1	-160	-166.3	0	114.3	N168 V169 D329	K144-N168 HydrophobicContact CB-CB 4.38Å; K144-V169 PolarHBondContact O-N 2.92Å; K144-V169 VanDerWaalsContact O-N 3.14Å; K144-D329 VanDerWaalsContact CE-CG 3.42Å; K144-D329 WeakPolarHBondContact CE-OD1 3.14Å; K144-D329 VanDerWaalsContact CE-OD2 3.26Å; K144-D329 WeakPolarHBondContact CE-OD2 3.38Å; K144-D329 IonicContact NZ-OD1 2.65Å; K144-D329 PolarHBondContact NZ-OD1 2.95Å; K144-D329 IonicContact NZ-OD2 2.75Å; K144-D329 PolarHBondContact NZ-OD2 3.45Å
145	E	87.3	Confident	84.9	Confident	73 Å²	73	40.1 Å²	40.1	34%	0.341	21%	0.212	S	C	.	.			trans	-101.2	135.5	-176.2	-52.7	-163	160.6	0	0	110.5	N116 R167	N116-E145 HydrophobicContact CB-CB 3.99Å; N116-E145 PolarHBondContact N-O 3.08Å; N116-E145 VanDerWaalsContact N-O 3.17Å; E145-R167 HydrophobicContact CB-CB 4.22Å; E145-R167 HydrophobicContact CG-CB 3.65Å; E145-R167 WeakPolarHBondContact OE1-CD 3.41Å
146	V	92.3	Very high	85	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	155.7	177.7	-54.6	0	0	0	0	112.1	V113 Y114 I134 L138 L159 V169 F216	V113-V146 HydrophobicContact CG1-CB 3.53Å; V113-V146 HydrophobicContact CG1-CG1 3.82Å; V113-V146 HydrophobicContact CG1-CG2 3.93Å; Y114-V146 WeakPolarHBondContact O-CA 3.38Å; Y114-V146 WeakPolarHBondContact O-CB 3.17Å; I134-V146 HydrophobicContact CD1-CG1 4.41Å; L138-V146 HydrophobicContact CD1-CG1 4Å; L138-V146 HydrophobicContact CD2-CG1 3.93Å; V146-L159 HydrophobicContact CG2-CB 4.17Å; V146-L159 HydrophobicContact CG2-CD1 3.6Å; V146-L159 HydrophobicContact CG2-CG 3.95Å; V146-L159 PolarHBondContact O-N 3.46Å; V146-V169 HydrophobicContact CG1-CG1 4.31Å; V146-V169 HydrophobicContact CG2-CG1 3.61Å; V146-F216 HydrophobicContact CG1-CZ 4.44Å; V146-F216 HydrophobicContact CG2-CE1 4.47Å; V146-F216 HydrophobicContact CG2-CZ 4.3Å
147	T	93.4	Very high	85.1	Confident	13 Å²	13	48.5 Å²	48.5	8%	0.08	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.9	171.3	-48.5	0	0	0	0	108.8	Y114 N116 E156 T157 V158	Y114-T147 WeakPolarHBondContact CB-O 3.27Å; Y114-T147 PolarHBondContact N-O 2.78Å; Y114-T147 PolarHBondContact O-N 3.14Å; Y114-T147 VanDerWaalsContact O-N 3.08Å; N116-T147 PolarHBondContact ND2-OG1 3.34Å; N116-T147 PolarHBondContact OD1-OG1 3.42Å; T147-E156 HydrophobicContact CG2-CG 3.97Å; T147-T157 WeakPolarHBondContact CA-O 3.31Å; T147-V158 HydrophobicContact CG2-CG2 4.09Å
148	L	93.2	Very high	85.2	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	158.1	175	-63.7	-176.9	0	0	0	111.2	L154 G155 T157 L159 L220 V221	L148-L154 HydrophobicContact CD1-CB 4.03Å; L148-L154 HydrophobicContact CD1-CD1 4.27Å; L148-G155 WeakPolarHBondContact CB-O 3.22Å; L148-T157 PolarHBondContact N-O 3.25Å; L148-L159 HydrophobicContact CD1-CD2 3.96Å; L148-L159 HydrophobicContact CD2-CD1 4.27Å; L148-L159 HydrophobicContact CG-CD1 4.39Å; L148-L159 HydrophobicContact CG-CD2 4.11Å; L148-L159 HydrophobicContact CG-CG 4.36Å; L148-L220 HydrophobicContact CD1-CD1 4.46Å; L148-L220 HydrophobicContact CD1-CG 4.5Å; L148-V221 HydrophobicContact CD2-CG2 3.65Å
149	H	93.6	Very high	85.6	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.056	27%	0.268	C	S	.	.			trans	-70.3	145.3	176.6	-165.3	-100.5	0	0	0	111.6	H99 P109 V112 W121 D151 G152 G155	H99-H149 AromaticContact CE1-NE2 3.84Å; H99-H149 AromaticContact CG-CD2 3.96Å; H99-H149 AromaticContact CG-NE2 3.54Å; H99-H149 AromaticContact ND1-CD2 3.91Å; H99-H149 AromaticContact ND1-CE1 3.74Å; H99-H149 AromaticContact ND1-NE2 3.03Å; H99-H149 PolarHBondContact ND1-NE2 3.44Å; P109-H149 WeakPolarHBondContact CB-ND1 3.43Å; P109-H149 WeakPolarHBondContact O-CB 3.47Å; V112-H149 HydrophobicContact CG2-CB 4.29Å; W121-H149 HydrophobicContact CH2-CB 4.05Å; W121-H149 AromaticContact CH2-CD2 3.48Å; W121-H149 VanDerWaalsContact CH2-CD2 3.48Å; W121-H149 WeakPolarHBondContact CH2-CD2 3.27Å; W121-H149 HydrophobicContact CZ3-CB 3.86Å; W121-H149 AromaticContact CZ3-CD2 3.76Å; H149-D151 IonicContact CE1-OD2 2.79Å; H149-D151 PolarHBondContact CE1-OD2 3.38Å; H149-D151 PolarHBondContact ND1-N 2.86Å; H149-D151 IonicContact ND1-OD2 3.91Å; H149-D151 PolarHBondContact ND1-OD2 2.93Å; H149-D151 PolarHBondContact O-N 3.19Å; H149-D151 VanDerWaalsContact O-N 3.14Å; H149-G152 WeakPolarHBondContact O-CA 3.41Å; H149-G152 PolarHBondContact O-N 3.47Å; H149-G155 CarbonylContact O-C 3.27Å; H149-G155 VanDerWaalsContact O-C 3.27Å
150	K	90.7	Very high	86.1	Confident	127 Å²	127	52.1 Å²	52.1	55%	0.552	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.7	178.7	57.3	159.1	-162	164.8	0	114.9	G155 E156	K150-G155 WeakPolarHBondContact O-CA 3.49Å; K150-E156 HydrophobicContact CB-CB 4.1Å
151	D	89.2	Confident	86.5	Confident	97 Å²	97	48.3 Å²	48.3	52%	0.519	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	13.8	177.9	-37.7	-56.4	0	0	0	112.1	P109 H149	P109-D151 HydrophobicContact CB-CB 4.04Å; H149-D151 IonicContact CE1-OD2 2.79Å; H149-D151 PolarHBondContact CE1-OD2 3.38Å; H149-D151 PolarHBondContact ND1-N 2.86Å; H149-D151 IonicContact ND1-OD2 3.91Å; H149-D151 PolarHBondContact ND1-OD2 2.93Å; H149-D151 PolarHBondContact O-N 3.19Å; H149-D151 VanDerWaalsContact O-N 3.14Å
152	G	84.5	Confident	86.9	Confident	13 Å²	13	55.9 Å²	55.9	13%	0.134	28%	0.279	C	S	.	.	S	Bend	trans	-83.3	174.2	175.3	0	0	0	0	0	113.1	H149 L154 G155	H149-G152 WeakPolarHBondContact O-CA 3.41Å; H149-G152 PolarHBondContact O-N 3.47Å; G152-L154 PolarHBondContact O-N 3.2Å; G152-G155 PolarHBondContact O-N 2.97Å
153	P	83	Confident	87.4	Confident	63 Å²	63	56.3 Å²	56.3	41%	0.409	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21	-169.7	-26.9	35.8	0	0	0	116.7
154	L	83.3	Confident	87.3	Confident	87 Å²	87	59.5 Å²	59.5	46%	0.455	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	18.9	179	-60	176.6	0	0	0	112.5	L148 G152 T157 L220	L148-L154 HydrophobicContact CD1-CB 4.03Å; L148-L154 HydrophobicContact CD1-CD1 4.27Å; G152-L154 PolarHBondContact O-N 3.2Å; L154-T157 PolarHBondContact O-OG1 2.97Å; L154-L220 HydrophobicContact CD1-CD1 3.66Å
155	G	85.9	Confident	87.4	Confident	22 Å²	22	59 Å²	59	23%	0.227	32%	0.316	C	S	.	.			trans	60.9	-163	-175.7	0	0	0	0	0	114.6	L148 H149 K150 G152 T157	L148-G155 WeakPolarHBondContact CB-O 3.22Å; H149-G155 CarbonylContact O-C 3.27Å; H149-G155 VanDerWaalsContact O-C 3.27Å; K150-G155 WeakPolarHBondContact O-CA 3.49Å; G152-G155 PolarHBondContact O-N 2.97Å; G155-T157 VanDerWaalsContact C-N 3.26Å; G155-T157 PolarHBondContact O-N 3.45Å
156	E	89.8	Confident	87	Confident	148 Å²	148	57.5 Å²	57.5	69%	0.692	31%	0.312	S	S	*	.	S	Bend	trans	-76.5	74.8	-179.4	-165.3	172.1	163.4	0	0	111.4	T147 K150	T147-E156 HydrophobicContact CG2-CG 3.97Å; K150-E156 HydrophobicContact CB-CB 4.1Å
157	T	87.9	Confident	86.7	Confident	61 Å²	61	62.1 Å²	62.1	37%	0.374	33%	0.33	S	S	.	.			trans	-110.1	127.6	-177.2	-64.1	0	0	0	0	110.8	T147 L148 L154 G155 L159	T147-T157 WeakPolarHBondContact CA-O 3.31Å; L148-T157 PolarHBondContact N-O 3.25Å; L154-T157 PolarHBondContact O-OG1 2.97Å; G155-T157 VanDerWaalsContact C-N 3.26Å; G155-T157 PolarHBondContact O-N 3.45Å; T157-L159 HydrophobicContact CG2-CD2 4.36Å
158	V	90.6	Very high	86.2	Confident	48 Å²	48	62.5 Å²	62.5	29%	0.291	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-76	128.6	166.6	-176.7	0	0	0	0	108.3	T147 E160 R167	T147-V158 HydrophobicContact CG2-CG2 4.09Å; V158-E160 PolarHBondContact O-N 3.18Å; V158-R167 HydrophobicContact CG1-CG 4.14Å
159	L	91	Very high	85.9	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	33%	0.331	C	S	.	.			trans	-83.2	108.1	-175.1	-59.2	-174.1	0	0	0	111.3	V146 L148 T157 R167 L172 L185 L210 F216 L220	V146-L159 HydrophobicContact CG2-CB 4.17Å; V146-L159 HydrophobicContact CG2-CD1 3.6Å; V146-L159 HydrophobicContact CG2-CG 3.95Å; V146-L159 PolarHBondContact O-N 3.46Å; L148-L159 HydrophobicContact CD1-CD2 3.96Å; L148-L159 HydrophobicContact CD2-CD1 4.27Å; L148-L159 HydrophobicContact CG-CD1 4.39Å; L148-L159 HydrophobicContact CG-CD2 4.11Å; L148-L159 HydrophobicContact CG-CG 4.36Å; T157-L159 HydrophobicContact CG2-CD2 4.36Å; L159-R167 WeakPolarHBondContact O-CA 3.3Å; L159-L172 HydrophobicContact CB-CD1 4.25Å; L159-L172 WeakPolarHBondContact O-CD1 3.38Å; L159-L185 HydrophobicContact CD2-CD1 4.3Å; L159-L210 HydrophobicContact CD1-CD2 4.04Å; L159-F216 HydrophobicContact CD1-CE1 4.35Å; L159-L220 HydrophobicContact CD1-CD2 3.95Å
160	E	89.8	Confident	85.4	Confident	75 Å²	75	62.6 Å²	62.6	35%	0.35	33%	0.332	S	S	.	.			trans	-138.1	161.4	-179	62.4	-172.9	-146.7	0	0	114.1	V158 C166 R167	V158-E160 PolarHBondContact O-N 3.18Å; E160-C166 WeakPolarHBondContact CA-O 3.31Å; E160-R167 HydrophobicContact CB-CG 3.71Å; E160-R167 IonicContact OE2-CZ 3.15Å; E160-R167 IonicContact OE2-NE 2.69Å; E160-R167 PolarHBondContact OE2-NE 3Å; E160-R167 IonicContact OE2-NH2 2.69Å; E160-R167 PolarHBondContact OE2-NH2 2.95Å
161	C	85.4	Confident	85	Confident	2 Å²	2	58.1 Å²	58.1	1%	0.014	31%	0.314	C	S	.	.			trans	-76.5	123.1	179.1	176.2	0	0	0	0	111.4	N163 C164 G165 C166 L172 C187	C161-N163 PolarHBondContact O-N 3.43Å; C161-N163 VanDerWaalsContact O-N 3.09Å; C161-C164 PolarHBondContact O-N 2.98Å; C161-C164 PolarHBondContact SG-SG 3.29Å; C161-G165 WeakPolarHBondContact O-CA 3.44Å; C161-G165 PolarHBondContact O-N 3.48Å; C161-C166 HydrophobicContact CB-CB 4.31Å; C161-C166 PolarHBondContact N-O 2.94Å; C161-L172 HydrophobicContact CB-CD2 3.72Å; C161-C187 WeakPolarHBondContact CB-SG 3.39Å; C161-C187 PolarHBondContact SG-N 3.02Å
162	Y	84.2	Confident	85	Confident	197 Å²	197	53.6 Å²	53.6	77%	0.773	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.9	-179.9	-173.4	-97.1	0	0	0	114.1	V184 L185	Y162-V184 HydrophobicContact CD1-CG1 4.21Å; Y162-V184 HydrophobicContact CG-CG1 4.06Å; Y162-L185 PolarHBondContact N-O 3.41Å
163	N	81.1	Confident	85.1	Confident	89 Å²	89	53 Å²	53	48%	0.476	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-34.1	-177.6	-175.4	-52.2	0	0	0	113	C161 L186 C191	C161-N163 PolarHBondContact O-N 3.43Å; C161-N163 VanDerWaalsContact O-N 3.09Å; N163-L186 HydrophobicContact CB-CD2 3.79Å; N163-C191 HydrophobicContact CB-CB 4.07Å
164	C	77.2	Confident	85.3	Confident	69 Å²	69	51 Å²	51	47%	0.466	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	8.5	-169.5	72	0	0	0	0	116.4	C161 C166	C161-C164 PolarHBondContact O-N 2.98Å; C161-C164 PolarHBondContact SG-SG 3.29Å; C164-C166 PolarHBondContact O-N 3.41Å
165	G	81.9	Confident	85.3	Confident	38 Å²	38	46.9 Å²	46.9	39%	0.392	25%	0.246	S	C	.	.			trans	65.7	5.8	177.7	0	0	0	0	0	115.7	C161 R167	C161-G165 WeakPolarHBondContact O-CA 3.44Å; C161-G165 PolarHBondContact O-N 3.48Å; G165-R167 PolarHBondContact O-N 3.48Å
166	C	79.5	Confident	84.6	Confident	41 Å²	41	48 Å²	48	28%	0.277	25%	0.25	S	S	.	.			trans	-70.1	124	-176.7	-176.4	0	0	0	0	111.8	E160 C161 C164 C187	E160-C166 WeakPolarHBondContact CA-O 3.31Å; C161-C166 HydrophobicContact CB-CB 4.31Å; C161-C166 PolarHBondContact N-O 2.94Å; C164-C166 PolarHBondContact O-N 3.41Å; C166-C187 VanDerWaalsContact CB-SG 3.56Å
167	R	86.5	Confident	83.4	Confident	98 Å²	98	42 Å²	42	37%	0.37	23%	0.225	S	C	.	.			trans	-91.8	5.7	-175.1	-72.8	165.7	-177	-177.2	-0.6	115.8	E145 V158 L159 E160 G165 V169	E145-R167 HydrophobicContact CB-CB 4.22Å; E145-R167 HydrophobicContact CG-CB 3.65Å; E145-R167 WeakPolarHBondContact OE1-CD 3.41Å; V158-R167 HydrophobicContact CG1-CG 4.14Å; L159-R167 WeakPolarHBondContact O-CA 3.3Å; E160-R167 HydrophobicContact CB-CG 3.71Å; E160-R167 IonicContact OE2-CZ 3.15Å; E160-R167 IonicContact OE2-NE 2.69Å; E160-R167 PolarHBondContact OE2-NE 3Å; E160-R167 IonicContact OE2-NH2 2.69Å; E160-R167 PolarHBondContact OE2-NH2 2.95Å; G165-R167 PolarHBondContact O-N 3.48Å; R167-V169 PolarHBondContact O-N 3.35Å
168	N	81.3	Confident	82	Confident	20 Å²	20	47.4 Å²	47.4	11%	0.107	24%	0.243	C	C	.	.			trans	-78.5	102.4	-175.4	-177.9	-7.5	0	0	0	111.3	K144 F170 L171 L172 S738	K144-N168 HydrophobicContact CB-CB 4.38Å; N168-F170 PolarHBondContact O-N 3.24Å; N168-F170 VanDerWaalsContact O-N 3.09Å; N168-F170 WeakPolarHBondContact OD1-CB 3.15Å; N168-F170 WeakPolarHBondContact OD1-CD2 3.49Å; N168-F170 PolarHBondContact OD1-N 3.06Å; N168-L171 HydrophobicContact CB-CB 4.19Å; N168-L171 WeakPolarHBondContact O-CA 3.14Å; N168-L171 PolarHBondContact O-N 3.18Å; N168-L172 WeakPolarHBondContact O-CG 3.12Å; N168-L172 PolarHBondContact O-N 3.46Å; N168-L172 VanDerWaalsContact O-N 3.1Å; N168-S738 PolarHBondContact ND2-O 3.4Å
169	V	86.8	Confident	80.4	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-24	-179.1	-62.5	0	0	0	0	114.8	L138 K144 V146 R167 L171 L210 I211 F216	L138-V169 HydrophobicContact CD1-CG2 3.89Å; K144-V169 PolarHBondContact O-N 2.92Å; K144-V169 VanDerWaalsContact O-N 3.14Å; V146-V169 HydrophobicContact CG1-CG1 4.31Å; V146-V169 HydrophobicContact CG2-CG1 3.61Å; R167-V169 PolarHBondContact O-N 3.35Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L210 HydrophobicContact CB-CD2 4.48Å; V169-L210 HydrophobicContact CG1-CD2 4.43Å; V169-I211 HydrophobicContact CB-CD1 4.15Å; V169-I211 HydrophobicContact CG2-CD1 3.78Å; V169-F216 HydrophobicContact CB-CE1 4.07Å; V169-F216 HydrophobicContact CB-CZ 4.09Å; V169-F216 HydrophobicContact CG1-CE1 4Å; V169-F216 HydrophobicContact CG1-CZ 4.07Å; V169-F216 HydrophobicContact CG2-CZ 4.07Å
170	F	83.6	Confident	78.5	Confident	17 Å²	17	56 Å²	56	8%	0.075	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.9	174.9	-54.6	-71.9	0	0	0	113.3	L138 V139 N168 I211 I736 A737	L138-F170 HydrophobicContact CB-CE2 4.29Å; L138-F170 HydrophobicContact CB-CZ 3.8Å; V139-F170 HydrophobicContact CG2-CE1 4.02Å; V139-F170 HydrophobicContact CG2-CZ 3.83Å; N168-F170 PolarHBondContact O-N 3.24Å; N168-F170 VanDerWaalsContact O-N 3.09Å; N168-F170 WeakPolarHBondContact OD1-CB 3.15Å; N168-F170 WeakPolarHBondContact OD1-CD2 3.49Å; N168-F170 PolarHBondContact OD1-N 3.06Å; F170-I211 HydrophobicContact CD1-CD1 3.79Å; F170-I211 HydrophobicContact CE1-CD1 3.89Å; F170-I736 HydrophobicContact CD1-CB 4.38Å; F170-I736 HydrophobicContact CD1-CD1 4.47Å; F170-I736 HydrophobicContact CD1-CG2 3.79Å; F170-I736 HydrophobicContact CE1-CD1 4.45Å; F170-I736 HydrophobicContact CE1-CG2 4.28Å; F170-A737 WeakPolarHBondContact CB-O 3.25Å
171	L	83.6	Confident	77.1	Confident	34 Å²	34	57.7 Å²	57.7	18%	0.178	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-20.5	174.3	-171.8	67.2	0	0	0	112.2	N168 V169 C187 R188	N168-L171 HydrophobicContact CB-CB 4.19Å; N168-L171 WeakPolarHBondContact O-CA 3.14Å; N168-L171 PolarHBondContact O-N 3.18Å; V169-L171 VanDerWaalsContact C-N 3.29Å; L171-C187 HydrophobicContact CD2-CB 4.02Å; L171-C187 HydrophobicContact CG-CB 3.98Å; L171-C187 WeakPolarHBondContact O-CA 3.46Å; L171-R188 HydrophobicContact CD1-CB 3.9Å; L171-R188 WeakPolarHBondContact O-CB 3.47Å; L171-R188 PolarHBondContact O-N 2.9Å
172	L	87.8	Confident	76.3	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	150.6	178.6	-68.4	177	0	0	0	112.9	L159 C161 N168 L210	L159-L172 HydrophobicContact CB-CD1 4.25Å; L159-L172 WeakPolarHBondContact O-CD1 3.38Å; C161-L172 HydrophobicContact CB-CD2 3.72Å; N168-L172 WeakPolarHBondContact O-CG 3.12Å; N168-L172 PolarHBondContact O-N 3.46Å; N168-L172 VanDerWaalsContact O-N 3.1Å; L172-L210 HydrophobicContact CB-CB 4.32Å; L172-L210 HydrophobicContact CB-CD2 3.95Å; L172-L210 HydrophobicContact CD1-CD2 4.3Å; L172-L210 WeakPolarHBondContact O-CB 3.31Å; L172-L210 PolarHBondContact O-N 2.84Å; L172-L210 VanDerWaalsContact O-N 3.11Å
173	G	86.2	Confident	75.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	175.9	170.9	0	0	0	0	0	108.8	L185 L186 W207 Q208	G173-L185 WeakPolarHBondContact O-CA 3.44Å; G173-L186 PolarHBondContact N-O 2.89Å; G173-L186 PolarHBondContact O-N 3.45Å; G173-L186 VanDerWaalsContact O-O 3.12Å; G173-W207 VanDerWaalsContact N-CZ2 3.32Å; G173-Q208 CarbonylContact C-O 3.37Å; G173-Q208 WeakPolarHBondContact CA-O 3.39Å
174	F	87.3	Confident	76	Confident	21 Å²	21	52 Å²	52	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.4	-170.3	77.9	-85.2	0	0	0	112.2	V183 V184 L185 W207 Q208 L217 W219	F174-V183 HydrophobicContact CB-CG1 3.54Å; F174-V183 HydrophobicContact CD2-CG1 3.69Å; F174-V183 HydrophobicContact CG-CG1 3.94Å; F174-V184 WeakPolarHBondContact CA-O 3.3Å; F174-L185 HydrophobicContact CB-CD2 4.23Å; F174-W207 WeakPolarHBondContact O-CA 3.35Å; F174-Q208 HydrophobicContact CD1-CB 3.99Å; F174-Q208 HydrophobicContact CE1-CB 3.48Å; F174-Q208 VanDerWaalsContact CE1-CB 3.48Å; F174-Q208 HydrophobicContact CE1-CG 4.4Å; F174-Q208 HydrophobicContact CZ-CB 3.91Å; F174-Q208 HydrophobicContact CZ-CG 4.38Å; F174-Q208 PolarHBondContact N-O 2.85Å; F174-Q208 PolarHBondContact O-N 2.88Å; F174-L217 HydrophobicContact CD1-CD1 3.65Å; F174-L217 HydrophobicContact CE1-CD1 3.42Å; F174-L217 VanDerWaalsContact CE1-CD1 3.42Å; F174-W219 AromaticContact CD1-CZ2 3.85Å; F174-W219 HydrophobicContact CD1-CZ2 3.85Å; F174-W219 HydrophobicContact CD2-CZ2 4.38Å; F174-W219 HydrophobicContact CE1-CZ2 4.05Å; F174-W219 HydrophobicContact CG-CZ2 4.02Å; F174-W219 HydrophobicContact CZ-CZ2 4.4Å
175	I	83.8	Confident	76.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.5	164.2	-52.8	-173.5	0	0	0	107.6	V184 L186 W202 D203 W207	I175-V184 PolarHBondContact N-O 3.13Å; I175-V184 VanDerWaalsContact N-O 3.11Å; I175-V184 PolarHBondContact O-N 2.9Å; I175-L186 HydrophobicContact CD1-CD1 3.84Å; I175-L186 HydrophobicContact CG1-CD1 4.37Å; I175-W202 HydrophobicContact CG2-CE3 4.38Å; I175-D203 WeakPolarHBondContact CG2-O 3.44Å; I175-W207 HydrophobicContact CD1-CB 4.38Å; I175-W207 HydrophobicContact CG1-CB 4.04Å; I175-W207 HydrophobicContact CG1-CG 4.32Å
176	P	71.7	Confident	76.6	Confident	47 Å²	47	48.5 Å²	48.5	31%	0.305	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.5	172.8	30.6	-34.6	0	0	0	111.2	Q206	P176-Q206 HydrophobicContact CG-CB 4.28Å
177	A	64.7	Low	76.7	Confident	20 Å²	20	46.7 Å²	46.7	17%	0.165	26%	0.26	C	S	.	.			trans	-75.1	160	168.7	0	0	0	0	0	111.9	A179 V182 W202	A177-A179 PolarHBondContact O-N 3.47Å; A177-A179 VanDerWaalsContact O-N 3.09Å; A177-V182 HydrophobicContact CB-CB 3.93Å; A177-V182 WeakPolarHBondContact CB-O 3.44Å; A177-V182 PolarHBondContact N-O 3.05Å; A177-W202 HydrophobicContact CB-CH2 4.05Å; A177-W202 HydrophobicContact CB-CZ3 3.65Å
178	K	59.1	Low	76.3	Confident	175 Å²	175	42.8 Å²	42.8	76%	0.761	25%	0.245	S	C	*	.	S	Bend	trans	-72	11.1	167.7	-66.7	176.9	178.3	166.2	0	113.6
179	A	55.8	Low	75.6	Confident	58 Å²	58	43.9 Å²	43.9	48%	0.479	25%	0.249	S	C	.	.	S	Bend	trans	-132.6	121.7	171.4	0	0	0	0	0	106.7	A177 S181 V182	A177-A179 PolarHBondContact O-N 3.47Å; A177-A179 VanDerWaalsContact O-N 3.09Å; A179-S181 PolarHBondContact O-N 3.08Å; A179-V182 PolarHBondContact O-N 2.96Å
180	D	51.7	Low	74.8	Confident	173 Å²	173	47.4 Å²	47.4	93%	0.925	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	24.9	-152.5	-53.9	-69.9	0	0	0	116.7
181	S	60.4	Low	74.4	Confident	110 Å²	110	46.7 Å²	46.7	77%	0.769	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	-5.1	-178.1	61.2	0	0	0	0	115.2	A179	A179-S181 PolarHBondContact O-N 3.08Å
182	V	67.3	Low	73.9	Confident	80 Å²	80	45.4 Å²	45.4	49%	0.485	26%	0.264	S	S	.	.			trans	-113.5	130.7	-179	-177.4	0	0	0	0	111.1	A177 A179	A177-V182 HydrophobicContact CB-CB 3.93Å; A177-V182 WeakPolarHBondContact CB-O 3.44Å; A177-V182 PolarHBondContact N-O 3.05Å; A179-V182 PolarHBondContact O-N 2.96Å
183	V	75.2	Confident	73	Confident	71 Å²	71	46.1 Å²	46.1	43%	0.43	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.7	-177.4	177	0	0	0	0	108.9	F174 W219	F174-V183 HydrophobicContact CB-CG1 3.54Å; F174-V183 HydrophobicContact CD2-CG1 3.69Å; F174-V183 HydrophobicContact CG-CG1 3.94Å; V183-W219 HydrophobicContact CG1-CH2 4.02Å; V183-W219 HydrophobicContact CG1-CZ2 4.5Å
184	V	84.4	Confident	71.6	Confident	16 Å²	16	53.1 Å²	53.1	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.6	-178.1	-173.5	0	0	0	0	110.7	Y162 F174 I175 L186 W202	Y162-V184 HydrophobicContact CD1-CG1 4.21Å; Y162-V184 HydrophobicContact CG-CG1 4.06Å; F174-V184 WeakPolarHBondContact CA-O 3.3Å; I175-V184 PolarHBondContact N-O 3.13Å; I175-V184 VanDerWaalsContact N-O 3.11Å; I175-V184 PolarHBondContact O-N 2.9Å; V184-L186 HydrophobicContact CG1-CD2 4.12Å; V184-L186 HydrophobicContact CG1-CG 4.03Å; V184-W202 HydrophobicContact CG2-CE3 4.47Å; V184-W202 HydrophobicContact CG2-CH2 3.34Å; V184-W202 HydrophobicContact CG2-CZ2 3.61Å; V184-W202 HydrophobicContact CG2-CZ3 3.77Å
185	L	86.5	Confident	70.1	Confident	31 Å²	31	56.1 Å²	56.1	16%	0.162	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119.8	172.7	-65.1	179.4	0	0	0	110.6	L159 Y162 G173 F174 L210	L159-L185 HydrophobicContact CD2-CD1 4.3Å; Y162-L185 PolarHBondContact N-O 3.41Å; G173-L185 WeakPolarHBondContact O-CA 3.44Å; F174-L185 HydrophobicContact CB-CD2 4.23Å; L185-L210 HydrophobicContact CD2-CD1 3.76Å
186	L	86.4	Confident	68.7	Low	4 Å²	4	58.6 Å²	58.6	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.3	178.6	-66.7	177.5	0	0	0	111.3	N163 G173 I175 V184 R188 C191 L197 W207	N163-L186 HydrophobicContact CB-CD2 3.79Å; G173-L186 PolarHBondContact N-O 2.89Å; G173-L186 PolarHBondContact O-N 3.45Å; G173-L186 VanDerWaalsContact O-O 3.12Å; I175-L186 HydrophobicContact CD1-CD1 3.84Å; I175-L186 HydrophobicContact CG1-CD1 4.37Å; V184-L186 HydrophobicContact CG1-CD2 4.12Å; V184-L186 HydrophobicContact CG1-CG 4.03Å; L186-R188 PolarHBondContact O-N 3.21Å; L186-C191 HydrophobicContact CB-CB 4.39Å; L186-C191 HydrophobicContact CD2-CB 4.32Å; L186-L197 HydrophobicContact CD1-CD2 4.21Å; L186-W207 PolarHBondContact O-NE1 2.87Å
187	C	81.2	Confident	68.1	Low	2 Å²	2	57.2 Å²	57.2	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	130.4	167	-71.4	0	0	0	0	111	C161 C166 L171 Q189 C191 A192	C161-C187 WeakPolarHBondContact CB-SG 3.39Å; C161-C187 PolarHBondContact SG-N 3.02Å; C166-C187 VanDerWaalsContact CB-SG 3.56Å; L171-C187 HydrophobicContact CD2-CB 4.02Å; L171-C187 HydrophobicContact CG-CB 3.98Å; L171-C187 WeakPolarHBondContact O-CA 3.46Å; C187-Q189 PolarHBondContact O-N 3.44Å; C187-C191 HydrophobicContact CB-CB 4.13Å; C187-A192 WeakPolarHBondContact O-CB 3.38Å; C187-A192 PolarHBondContact O-N 3.29Å
188	R	77.1	Confident	67.6	Low	17 Å²	17	64.7 Å²	64.7	6%	0.064	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-35.1	-46.7	170.2	173.8	-160.9	-179.8	83.8	7.9	113.9	L171 L186 W207 E735 Y781	L171-R188 HydrophobicContact CD1-CB 3.9Å; L171-R188 WeakPolarHBondContact O-CB 3.47Å; L171-R188 PolarHBondContact O-N 2.9Å; L186-R188 PolarHBondContact O-N 3.21Å; R188-W207 HydrophobicContact CB-CH2 4Å; R188-W207 HydrophobicContact CB-CZ2 3.67Å; R188-E735 IonicContact CZ-OE1 2.72Å; R188-E735 IonicContact NH1-OE1 3.8Å; R188-E735 PolarHBondContact NH1-OE1 2.91Å; R188-E735 IonicContact NH1-OE2 2.75Å; R188-E735 PolarHBondContact NH1-OE2 2.8Å; R188-E735 IonicContact NH2-OE1 2.65Å; R188-Y781 VanDerWaalsContact NH2-CE2 3.33Å; R188-Y781 VanDerWaalsContact NH2-CZ 3.31Å
189	Q	68.1	Low	67.1	Low	42 Å²	42	64 Å²	64	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-149.8	146.2	174.9	-72.7	-61.9	-71.4	0	0	108.5	C187 C191 Y781	C187-Q189 PolarHBondContact O-N 3.44Å; Q189-C191 VanDerWaalsContact C-N 3.35Å; Q189-Y781 HydrophobicContact CG-CE2 4.39Å
190	P	68.9	Low	67.2	Low	75 Å²	75	65.9 Å²	65.9	49%	0.487	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	cis	-76.1	-17.5	-8.7	32.5	-35.3	0	0	0	113	A192 S193 S196	P190-A192 VanDerWaalsContact C-N 3.35Å; P190-A192 PolarHBondContact O-N 3.15Å; P190-A192 VanDerWaalsContact O-N 3.17Å; P190-S193 WeakPolarHBondContact O-CB 3.3Å; P190-S193 PolarHBondContact O-N 3.29Å; P190-S193 PolarHBondContact O-OG 2.95Å; P190-S196 PolarHBondContact O-OG 3.16Å
191	C	75.3	Confident	67.6	Low	2 Å²	2	64.2 Å²	64.2	1%	0.014	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.8	-163.7	-53	0	0	0	0	115.5	N163 L186 C187 Q189 S193 L197	N163-C191 HydrophobicContact CB-CB 4.07Å; L186-C191 HydrophobicContact CB-CB 4.39Å; L186-C191 HydrophobicContact CD2-CB 4.32Å; C187-C191 HydrophobicContact CB-CB 4.13Å; Q189-C191 VanDerWaalsContact C-N 3.35Å; C191-S193 VanDerWaalsContact C-N 3.32Å; C191-L197 WeakPolarHBondContact O-CD2 3.38Å; C191-L197 WeakPolarHBondContact O-CG 3.48Å
192	A	73.4	Confident	68	Low	7 Å²	7	62.2 Å²	62.2	6%	0.058	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	9	174.9	0	0	0	0	0	114.4	C187 P190 S204 W207	C187-A192 WeakPolarHBondContact O-CB 3.38Å; C187-A192 PolarHBondContact O-N 3.29Å; P190-A192 VanDerWaalsContact C-N 3.35Å; P190-A192 PolarHBondContact O-N 3.15Å; P190-A192 VanDerWaalsContact O-N 3.17Å; A192-S204 WeakPolarHBondContact O-CB 3.28Å; A192-W207 HydrophobicContact CB-CB 4.5Å; A192-W207 HydrophobicContact CB-CG 3.98Å
193	S	67.9	Low	68	Low	17 Å²	17	61.2 Å²	61.2	12%	0.119	33%	0.326	C	S	.	.	S	Bend	trans	-85.5	144.5	173.7	75.4	0	0	0	0	111.8	P190 C191 S195 S196	P190-S193 WeakPolarHBondContact O-CB 3.3Å; P190-S193 PolarHBondContact O-N 3.29Å; P190-S193 PolarHBondContact O-OG 2.95Å; C191-S193 VanDerWaalsContact C-N 3.32Å; S193-S195 PolarHBondContact O-N 2.74Å; S193-S195 PolarHBondContact OG-OG 3.07Å; S193-S195 VanDerWaalsContact OG-OG 3.12Å; S193-S196 PolarHBondContact O-N 2.81Å; S193-S196 PolarHBondContact OG-OG 3.28Å
194	Q	58.3	Low	67.6	Low	146 Å²	146	59 Å²	59	68%	0.682	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.6	-27.9	-178.1	-66.8	-178.8	-13.1	0	0	113.3	S196 S204	Q194-S196 PolarHBondContact O-N 3.35Å; Q194-S204 WeakPolarHBondContact CG-OG 3.31Å; Q194-S204 PolarHBondContact NE2-OG 2.65Å
195	S	54.8	Low	66.8	Low	84 Å²	84	62.7 Å²	62.7	59%	0.587	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.8	-24.1	174.8	27.7	0	0	0	0	113.6	S193	S193-S195 PolarHBondContact O-N 2.74Å; S193-S195 PolarHBondContact OG-OG 3.07Å; S193-S195 VanDerWaalsContact OG-OG 3.12Å
196	S	55.5	Low	66.5	Low	53 Å²	53	65.6 Å²	65.6	37%	0.371	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-99.5	-5.1	-177.5	-58.3	0	0	0	0	114.8	P190 S193 Q194	P190-S196 PolarHBondContact O-OG 3.16Å; S193-S196 PolarHBondContact O-N 2.81Å; S193-S196 PolarHBondContact OG-OG 3.28Å; Q194-S196 PolarHBondContact O-N 3.35Å
197	L	58.7	Low	66.4	Low	18 Å²	18	66.3 Å²	66.3	9%	0.094	36%	0.355	C	S	.	.			trans	-117.1	13.4	-169.2	-67.9	171.1	0	0	0	113.8	L186 C191 D199 I200	L186-L197 HydrophobicContact CD1-CD2 4.21Å; C191-L197 WeakPolarHBondContact O-CD2 3.38Å; C191-L197 WeakPolarHBondContact O-CG 3.48Å; L197-D199 PolarHBondContact O-N 3.05Å; L197-I200 PolarHBondContact O-N 3.37Å
198	K	53.2	Low	66.4	Low	177 Å²	177	70.7 Å²	70.7	77%	0.77	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-31.3	-169.6	-71.5	-173.1	174.6	-176.5	0	115.2
199	D	49.9	Very low	66.8	Low	160 Å²	160	71.4 Å²	71.4	86%	0.856	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-3.1	-175.6	-51.5	-57.4	0	0	0	113.7	L197	L197-D199 PolarHBondContact O-N 3.05Å
200	I	57.3	Low	67.8	Low	99 Å²	99	69.4 Å²	69.4	51%	0.508	37%	0.373	S	S	.	.	S	Bend	trans	-140.4	133.6	-175.5	-29.9	174.2	0	0	0	112.4	L197 W202	L197-I200 PolarHBondContact O-N 3.37Å; I200-W202 PolarHBondContact O-N 3.43Å
201	N	59.6	Low	68.7	Low	138 Å²	138	66.6 Å²	66.6	74%	0.738	35%	0.354	S	S	*	.			trans	-77.5	36.3	-159.8	-136.5	-30.7	0	0	0	115.8
202	W	68.4	Low	69	Low	67 Å²	67	69.7 Å²	69.7	25%	0.254	37%	0.368	S	S	.	.			trans	-85.2	138.4	-176.1	-56.9	106.9	0	0	0	113.2	I175 A177 V184 I200 S204	I175-W202 HydrophobicContact CG2-CE3 4.38Å; A177-W202 HydrophobicContact CB-CH2 4.05Å; A177-W202 HydrophobicContact CB-CZ3 3.65Å; V184-W202 HydrophobicContact CG2-CE3 4.47Å; V184-W202 HydrophobicContact CG2-CH2 3.34Å; V184-W202 HydrophobicContact CG2-CZ2 3.61Å; V184-W202 HydrophobicContact CG2-CZ3 3.77Å; I200-W202 PolarHBondContact O-N 3.43Å; W202-S204 PolarHBondContact O-N 2.95Å
203	D	67.4	Low	69.2	Low	59 Å²	59	74.5 Å²	74.5	32%	0.316	39%	0.392	S	S	.	.			trans	-87.1	98.5	174.8	-172.7	-6.8	0	0	0	111.9	I175 S205 Q206	I175-D203 WeakPolarHBondContact CG2-O 3.44Å; D203-S205 PolarHBondContact O-N 2.94Å; D203-S205 VanDerWaalsContact OD1-CB 3.27Å; D203-S205 WeakPolarHBondContact OD1-CB 3.25Å; D203-S205 PolarHBondContact OD1-N 2.74Å; D203-S205 PolarHBondContact OD1-OG 3.38Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; D203-S205 VanDerWaalsContact OD2-OG 3.12Å; D203-Q206 HydrophobicContact CB-CG 4.14Å; D203-Q206 PolarHBondContact O-N 3.39Å; D203-Q206 VanDerWaalsContact O-N 3.07Å; D203-Q206 PolarHBondContact OD2-NE2 2.67Å
204	S	67.3	Low	69.8	Low	24 Å²	24	76.4 Å²	76.4	17%	0.168	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-51	-24.4	172.8	58.3	0	0	0	0	115.5	A192 Q194 W202 Q206	A192-S204 WeakPolarHBondContact O-CB 3.28Å; Q194-S204 WeakPolarHBondContact CG-OG 3.31Å; Q194-S204 PolarHBondContact NE2-OG 2.65Å; W202-S204 PolarHBondContact O-N 2.95Å; S204-Q206 VanDerWaalsContact C-N 3.28Å; S204-Q206 PolarHBondContact O-N 3.18Å
205	S	68.5	Low	71.3	Confident	95 Å²	95	69.9 Å²	69.9	66%	0.664	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-75.8	-18.8	-179	75.4	0	0	0	0	113	D203	D203-S205 PolarHBondContact O-N 2.94Å; D203-S205 VanDerWaalsContact OD1-CB 3.27Å; D203-S205 WeakPolarHBondContact OD1-CB 3.25Å; D203-S205 PolarHBondContact OD1-N 2.74Å; D203-S205 PolarHBondContact OD1-OG 3.38Å; D203-S205 PolarHBondContact OD2-OG 3.3Å; D203-S205 VanDerWaalsContact OD2-OG 3.12Å
206	Q	78.3	Confident	73	Confident	92 Å²	92	66 Å²	66	43%	0.43	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-93.9	6.6	-178.6	-59.2	-177.6	38.6	0	0	113.4	P176 D203 S204 Q208	P176-Q206 HydrophobicContact CG-CB 4.28Å; D203-Q206 HydrophobicContact CB-CG 4.14Å; D203-Q206 PolarHBondContact O-N 3.39Å; D203-Q206 VanDerWaalsContact O-N 3.07Å; D203-Q206 PolarHBondContact OD2-NE2 2.67Å; S204-Q206 VanDerWaalsContact C-N 3.28Å; S204-Q206 PolarHBondContact O-N 3.18Å; Q206-Q208 PolarHBondContact O-N 3.2Å
207	W	84.8	Confident	74.6	Confident	19 Å²	19	64.4 Å²	64.4	7%	0.072	33%	0.328	C	S	.	.			trans	-62.3	127.8	175.7	-172.5	100.8	0	0	0	111.1	G173 F174 I175 L186 R188 A192 P209	G173-W207 VanDerWaalsContact N-CZ2 3.32Å; F174-W207 WeakPolarHBondContact O-CA 3.35Å; I175-W207 HydrophobicContact CD1-CB 4.38Å; I175-W207 HydrophobicContact CG1-CB 4.04Å; I175-W207 HydrophobicContact CG1-CG 4.32Å; L186-W207 PolarHBondContact O-NE1 2.87Å; R188-W207 HydrophobicContact CB-CH2 4Å; R188-W207 HydrophobicContact CB-CZ2 3.67Å; A192-W207 HydrophobicContact CB-CB 4.5Å; A192-W207 HydrophobicContact CB-CG 3.98Å; W207-P209 HydrophobicContact CH2-CB 3.92Å; W207-P209 HydrophobicContact CZ3-CB 3.67Å; W207-P209 HydrophobicContact CZ3-CG 4.32Å
208	Q	82	Confident	75.9	Confident	94 Å²	94	67.3 Å²	67.3	44%	0.439	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143	176	-68.6	-175.5	11.3	0	0	111.6	G173 F174 Q206	G173-Q208 CarbonylContact C-O 3.37Å; G173-Q208 WeakPolarHBondContact CA-O 3.39Å; F174-Q208 HydrophobicContact CD1-CB 3.99Å; F174-Q208 HydrophobicContact CE1-CB 3.48Å; F174-Q208 VanDerWaalsContact CE1-CB 3.48Å; F174-Q208 HydrophobicContact CE1-CG 4.4Å; F174-Q208 HydrophobicContact CZ-CB 3.91Å; F174-Q208 HydrophobicContact CZ-CG 4.38Å; F174-Q208 PolarHBondContact N-O 2.85Å; F174-Q208 PolarHBondContact O-N 2.88Å; Q206-Q208 PolarHBondContact O-N 3.2Å
209	P	85.9	Confident	77.5	Confident	32 Å²	32	64 Å²	64	21%	0.208	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	145.2	-175.8	29.5	-34.7	0	0	0	112.2	W207 I211 L217	W207-P209 HydrophobicContact CH2-CB 3.92Å; W207-P209 HydrophobicContact CZ3-CB 3.67Å; W207-P209 HydrophobicContact CZ3-CG 4.32Å; P209-I211 PolarHBondContact O-N 2.8Å; P209-L217 WeakPolarHBondContact O-CD1 3.42Å
210	L	89.1	Confident	79.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-68.9	-24.3	178.8	-161.9	69.3	0	0	0	113.1	L159 V169 L172 L185 F216 L217 L220	L159-L210 HydrophobicContact CD1-CD2 4.04Å; V169-L210 HydrophobicContact CB-CD2 4.48Å; V169-L210 HydrophobicContact CG1-CD2 4.43Å; L172-L210 HydrophobicContact CB-CB 4.32Å; L172-L210 HydrophobicContact CB-CD2 3.95Å; L172-L210 HydrophobicContact CD1-CD2 4.3Å; L172-L210 WeakPolarHBondContact O-CB 3.31Å; L172-L210 PolarHBondContact O-N 2.84Å; L172-L210 VanDerWaalsContact O-N 3.11Å; L185-L210 HydrophobicContact CD2-CD1 3.76Å; L210-F216 HydrophobicContact CD2-CD1 4.42Å; L210-F216 HydrophobicContact CD2-CE1 4.16Å; L210-F216 HydrophobicContact CG-CD1 4.23Å; L210-F216 HydrophobicContact CG-CE1 4.43Å; L210-L217 PolarHBondContact O-N 2.94Å; L210-L220 HydrophobicContact CD1-CD1 4.36Å; L210-L220 HydrophobicContact CD1-CD2 3.63Å; L210-L220 HydrophobicContact CD2-CD2 4.28Å; L210-L220 HydrophobicContact CG-CD2 3.9Å
211	I	86.3	Confident	80.9	Confident	16 Å²	16	51.8 Å²	51.8	8%	0.082	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.8	175	-64	170.3	0	0	0	108.3	V135 V169 F170 P209 C215 F216 I736	V135-I211 HydrophobicContact CG1-CG2 4.47Å; V135-I211 HydrophobicContact CG2-CD1 4.26Å; V135-I211 HydrophobicContact CG2-CG1 4.48Å; V135-I211 HydrophobicContact CG2-CG2 4.06Å; V169-I211 HydrophobicContact CB-CD1 4.15Å; V169-I211 HydrophobicContact CG2-CD1 3.78Å; F170-I211 HydrophobicContact CD1-CD1 3.79Å; F170-I211 HydrophobicContact CE1-CD1 3.89Å; P209-I211 PolarHBondContact O-N 2.8Å; I211-C215 CarbonylContact C-O 3.55Å; I211-C215 VanDerWaalsContact CA-O 3.31Å; I211-C215 WeakPolarHBondContact CA-O 3.27Å; I211-F216 HydrophobicContact CD1-CE1 4.35Å; I211-F216 HydrophobicContact CD1-CE2 4.38Å; I211-F216 HydrophobicContact CD1-CZ 4.1Å; I211-F216 HydrophobicContact CG1-CD1 4.14Å; I211-F216 HydrophobicContact CG1-CE1 4.08Å; I211-F216 HydrophobicContact CG1-CE2 4.42Å; I211-F216 HydrophobicContact CG1-CG 4.38Å; I211-F216 HydrophobicContact CG1-CZ 4.22Å; I211-I736 HydrophobicContact CG2-CD1 3.98Å
212	Q	81.4	Confident	82.4	Confident	67 Å²	67	50.6 Å²	50.6	31%	0.313	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.4	177.9	-175.7	175.4	-19.6	0	0	109.2	R214 C215 L217	Q212-R214 PolarHBondContact O-N 2.94Å; Q212-C215 PolarHBondContact N-O 3.07Å; Q212-C215 PolarHBondContact O-N 3.09Å; Q212-C215 PolarHBondContact O-SG 3.35Å; Q212-L217 HydrophobicContact CB-CD2 4.21Å
213	D	79	Confident	83.5	Confident	107 Å²	107	51 Å²	51	57%	0.572	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	34.7	-177	-64	-54.3	0	0	0	114.5	R126 C215	R126-D213 PolarHBondContact NH2-O 3.26Å; R126-D213 VanDerWaalsContact NH2-O 3.13Å; D213-C215 VanDerWaalsContact C-N 3.31Å; D213-C215 PolarHBondContact O-N 2.92Å
214	R	80.4	Confident	84.5	Confident	57 Å²	57	48.5 Å²	48.5	22%	0.215	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	31.2	-176.4	-55.4	174.6	173.6	176.9	-6.3	115	S130 S132 V135 Q212 I736 Y743 Q827	S130-R214 VanDerWaalsContact O-CD 3.23Å; S130-R214 WeakPolarHBondContact O-CD 3.3Å; S130-R214 PolarHBondContact O-NH1 3.14Å; S130-R214 VanDerWaalsContact O-NH1 3.1Å; S130-R214 PolarHBondContact OG-NH1 3.5Å; S132-R214 PolarHBondContact N-O 3.49Å; V135-R214 WeakPolarHBondContact CB-O 3.38Å; V135-R214 HydrophobicContact CG1-CB 4.2Å; V135-R214 WeakPolarHBondContact CG2-O 3.34Å; Q212-R214 PolarHBondContact O-N 2.94Å; R214-I736 HydrophobicContact CG-CD1 4.29Å; R214-Y743 PolarHBondContact NE-OH 3.07Å; R214-Y743 PolarHBondContact NH2-OH 3.38Å; R214-Q827 VanDerWaalsContact CZ-CD 3.49Å
215	C	88.9	Confident	85.4	Confident	10 Å²	10	49.9 Å²	49.9	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.7	164	46.5	0	0	0	0	110.1	N124 R126 S132 I211 Q212 D213	N124-C215 VanDerWaalsContact OD1-CB 3.3Å; N124-C215 WeakPolarHBondContact OD1-CB 3.49Å; R126-C215 PolarHBondContact NH2-SG 3.13Å; S132-C215 WeakPolarHBondContact OG-CA 3.39Å; I211-C215 CarbonylContact C-O 3.55Å; I211-C215 VanDerWaalsContact CA-O 3.31Å; I211-C215 WeakPolarHBondContact CA-O 3.27Å; Q212-C215 PolarHBondContact N-O 3.07Å; Q212-C215 PolarHBondContact O-N 3.09Å; Q212-C215 PolarHBondContact O-SG 3.35Å; D213-C215 VanDerWaalsContact C-N 3.31Å; D213-C215 PolarHBondContact O-N 2.92Å
216	F	90.9	Very high	85.9	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	153.1	167.8	-75.1	-95	0	0	0	110	N124 I134 V135 L138 V146 L159 V169 L210 I211 S218 L220 V221	N124-F216 PolarHBondContact ND2-O 2.61Å; N124-F216 PolarHBondContact OD1-N 3.28Å; I134-F216 HydrophobicContact CB-CE2 4.44Å; I134-F216 HydrophobicContact CG1-CE2 3.78Å; I134-F216 HydrophobicContact CG2-CD2 3.67Å; I134-F216 HydrophobicContact CG2-CE2 3.76Å; V135-F216 HydrophobicContact CG2-CD2 4.16Å; V135-F216 HydrophobicContact CG2-CE2 4.13Å; L138-F216 HydrophobicContact CD1-CE2 4.16Å; L138-F216 HydrophobicContact CD1-CZ 4.17Å; V146-F216 HydrophobicContact CG1-CZ 4.44Å; V146-F216 HydrophobicContact CG2-CE1 4.47Å; V146-F216 HydrophobicContact CG2-CZ 4.3Å; L159-F216 HydrophobicContact CD1-CE1 4.35Å; V169-F216 HydrophobicContact CB-CE1 4.07Å; V169-F216 HydrophobicContact CB-CZ 4.09Å; V169-F216 HydrophobicContact CG1-CE1 4Å; V169-F216 HydrophobicContact CG1-CZ 4.07Å; V169-F216 HydrophobicContact CG2-CZ 4.07Å; L210-F216 HydrophobicContact CD2-CD1 4.42Å; L210-F216 HydrophobicContact CD2-CE1 4.16Å; L210-F216 HydrophobicContact CG-CD1 4.23Å; L210-F216 HydrophobicContact CG-CE1 4.43Å; I211-F216 HydrophobicContact CD1-CE1 4.35Å; I211-F216 HydrophobicContact CD1-CE2 4.38Å; I211-F216 HydrophobicContact CD1-CZ 4.1Å; I211-F216 HydrophobicContact CG1-CD1 4.14Å; I211-F216 HydrophobicContact CG1-CE1 4.08Å; I211-F216 HydrophobicContact CG1-CE2 4.42Å; I211-F216 HydrophobicContact CG1-CG 4.38Å; I211-F216 HydrophobicContact CG1-CZ 4.22Å; F216-S218 PolarHBondContact O-N 2.81Å; F216-L220 HydrophobicContact CD1-CD2 3.79Å; F216-V221 HydrophobicContact CB-CB 4.18Å; F216-V221 HydrophobicContact CB-CG2 4.1Å; F216-V221 HydrophobicContact CG-CG2 4.4Å
217	L	89.1	Confident	85.7	Confident	20 Å²	20	55.1 Å²	55.1	11%	0.105	27%	0.273	C	S	.	.			trans	-56.7	135.2	175.3	-65.8	165.5	0	0	0	111.3	F174 P209 L210 Q212 W219 L220 V221	F174-L217 HydrophobicContact CD1-CD1 3.65Å; F174-L217 HydrophobicContact CE1-CD1 3.42Å; F174-L217 VanDerWaalsContact CE1-CD1 3.42Å; P209-L217 WeakPolarHBondContact O-CD1 3.42Å; L210-L217 PolarHBondContact O-N 2.94Å; Q212-L217 HydrophobicContact CB-CD2 4.21Å; L217-W219 HydrophobicContact CD1-CZ2 3.82Å; L217-W219 PolarHBondContact O-N 3.38Å; L217-L220 HydrophobicContact CB-CB 4.44Å; L217-L220 WeakPolarHBondContact O-CB 3.39Å; L217-L220 PolarHBondContact O-N 2.84Å; L217-V221 PolarHBondContact O-N 3.07Å
218	S	87	Confident	85.3	Confident	79 Å²	79	58 Å²	58	55%	0.552	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.4	-171.6	51.7	0	0	0	0	115.1	F216 V221	F216-S218 PolarHBondContact O-N 2.81Å; S218-V221 WeakPolarHBondContact CA-O 3.45Å
219	W	86.1	Confident	84.9	Confident	107 Å²	107	55.4 Å²	55.4	41%	0.405	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-24.1	173.6	63.1	-103.8	0	0	0	113.1	F174 V183 L217	F174-W219 AromaticContact CD1-CZ2 3.85Å; F174-W219 HydrophobicContact CD1-CZ2 3.85Å; F174-W219 HydrophobicContact CD2-CZ2 4.38Å; F174-W219 HydrophobicContact CE1-CZ2 4.05Å; F174-W219 HydrophobicContact CG-CZ2 4.02Å; F174-W219 HydrophobicContact CZ-CZ2 4.4Å; V183-W219 HydrophobicContact CG1-CH2 4.02Å; V183-W219 HydrophobicContact CG1-CZ2 4.5Å; L217-W219 HydrophobicContact CD1-CZ2 3.82Å; L217-W219 PolarHBondContact O-N 3.38Å
220	L	87.5	Confident	84.2	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-47.2	178.6	-173.5	87.7	0	0	0	110.7	L148 L154 L159 L210 F216 L217	L148-L220 HydrophobicContact CD1-CD1 4.46Å; L148-L220 HydrophobicContact CD1-CG 4.5Å; L154-L220 HydrophobicContact CD1-CD1 3.66Å; L159-L220 HydrophobicContact CD1-CD2 3.95Å; L210-L220 HydrophobicContact CD1-CD1 4.36Å; L210-L220 HydrophobicContact CD1-CD2 3.63Å; L210-L220 HydrophobicContact CD2-CD2 4.28Å; L210-L220 HydrophobicContact CG-CD2 3.9Å; F216-L220 HydrophobicContact CD1-CD2 3.79Å; L217-L220 HydrophobicContact CB-CB 4.44Å; L217-L220 WeakPolarHBondContact O-CB 3.39Å; L217-L220 PolarHBondContact O-N 2.84Å
221	V	90.9	Very high	83.4	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.012	34%	0.336	C	S	.	.	S	Bend	trans	-137.9	116.2	176	-170.3	0	0	0	0	107.7	V113 N124 L148 F216 L217 S218	V113-V221 HydrophobicContact CG2-CB 4.31Å; V113-V221 HydrophobicContact CG2-CG1 3.71Å; V113-V221 HydrophobicContact CG2-CG2 3.74Å; N124-V221 HydrophobicContact CB-CB 4.25Å; N124-V221 HydrophobicContact CB-CG1 3.71Å; N124-V221 PolarHBondContact ND2-O 3.24Å; L148-V221 HydrophobicContact CD2-CG2 3.65Å; F216-V221 HydrophobicContact CB-CB 4.18Å; F216-V221 HydrophobicContact CB-CG2 4.1Å; F216-V221 HydrophobicContact CG-CG2 4.4Å; L217-V221 PolarHBondContact O-N 3.07Å; S218-V221 WeakPolarHBondContact CA-O 3.45Å
222	K	91.4	Very high	82.8	Confident	112 Å²	112	70.2 Å²	70.2	49%	0.487	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-60.9	153.3	-178.2	-64.9	-174.4	-169.8	169	0	110.6	A110 C111 N124	A110-K222 HydrophobicContact CB-CB 4.44Å; A110-K222 HydrophobicContact CB-CD 3.7Å; A110-K222 HydrophobicContact CB-CG 4.11Å; A110-K222 WeakPolarHBondContact O-CB 3.21Å; A110-K222 PolarHBondContact O-N 3.1Å; C111-K222 WeakPolarHBondContact CA-O 3.34Å; C111-K222 VanDerWaalsContact SG-C 3.57Å; C111-K222 VanDerWaalsContact SG-CB 3.57Å; C111-K222 PolarHBondContact SG-O 2.71Å; C111-K222 VanDerWaalsContact SG-O 3.32Å; N124-K222 WeakPolarHBondContact CB-O 3.47Å
223	I	90.3	Very high	82.5	Confident	76 Å²	76	73.7 Å²	73.7	39%	0.39	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-94.6	126.4	170.3	-59.4	174.5	0	0	0	106.2
224	P	88.8	Confident	82.5	Confident	6 Å²	6	72.8 Å²	72.8	4%	0.039	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-57.9	147.4	178.3	-19.1	26.9	0	0	0	111.5	I106 C111 C123 E228 Q229	I106-P224 HydrophobicContact CD1-CB 4.13Å; I106-P224 HydrophobicContact CD1-CG 4.03Å; I106-P224 HydrophobicContact CG2-CB 4.25Å; I106-P224 HydrophobicContact CG2-CG 3.84Å; C111-P224 HydrophobicContact CB-CG 3.76Å; C111-P224 VanDerWaalsContact SG-N 3.38Å; C123-P224 HydrophobicContact CB-CG 4.47Å; P224-E228 HydrophobicContact CB-CB 4.24Å; P224-Q229 HydrophobicContact CB-CG 4.03Å; P224-Q229 PolarHBondContact O-NE2 3.12Å
225	S	87.4	Confident	82.4	Confident	54 Å²	54	70.4 Å²	70.4	38%	0.378	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-61.1	159.6	177.5	69.6	0	0	0	0	111.9	Q227 E228 Q229	S225-Q227 PolarHBondContact O-N 3.5Å; S225-E228 WeakPolarHBondContact CB-OE2 2.94Å; S225-E228 PolarHBondContact N-OE2 3.48Å; S225-E228 PolarHBondContact O-N 2.95Å; S225-E228 VanDerWaalsContact OG-CD 3.32Å; S225-E228 WeakPolarHBondContact OG-CG 3.46Å; S225-E228 PolarHBondContact OG-N 3.23Å; S225-E228 PolarHBondContact OG-OE2 2.92Å; S225-Q229 PolarHBondContact O-N 3.35Å
226	E	78.8	Confident	82	Confident	163 Å²	163	72.7 Å²	72.7	76%	0.762	35%	0.347	S	S	*	.	H	α-helix	trans	-60.9	-34.2	177	-62	-173.4	154.3	0	0	111.7	E228 Q229 L230	E226-E228 PolarHBondContact O-N 3.26Å; E226-Q229 PolarHBondContact O-N 3.12Å; E226-L230 WeakPolarHBondContact O-CB 3.31Å; E226-L230 WeakPolarHBondContact O-CG 3.45Å; E226-L230 PolarHBondContact O-N 2.97Å
227	Q	74.4	Confident	81.4	Confident	134 Å²	134	74.5 Å²	74.5	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-64.5	-40.3	176.2	-61.8	-174.9	6.2	0	0	112.1	S225 R231	S225-Q227 PolarHBondContact O-N 3.5Å; Q227-R231 WeakPolarHBondContact O-CB 3.19Å; Q227-R231 VanDerWaalsContact O-CG 3.29Å; Q227-R231 WeakPolarHBondContact O-CG 3.37Å; Q227-R231 PolarHBondContact O-N 2.73Å
228	E	74.5	Confident	80.7	Confident	78 Å²	78	80.8 Å²	80.8	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-70.5	-39.8	175	-67.7	161.2	120.3	0	0	111.7	P224 S225 E226 L230 R231 A232	P224-E228 HydrophobicContact CB-CB 4.24Å; S225-E228 WeakPolarHBondContact CB-OE2 2.94Å; S225-E228 PolarHBondContact N-OE2 3.48Å; S225-E228 PolarHBondContact O-N 2.95Å; S225-E228 VanDerWaalsContact OG-CD 3.32Å; S225-E228 WeakPolarHBondContact OG-CG 3.46Å; S225-E228 PolarHBondContact OG-N 3.23Å; S225-E228 PolarHBondContact OG-OE2 2.92Å; E226-E228 PolarHBondContact O-N 3.26Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 PolarHBondContact O-N 3.42Å; E228-R231 PolarHBondContact O-N 2.9Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 2.89Å
229	Q	74.2	Confident	80.3	Confident	40 Å²	40	80.7 Å²	80.7	19%	0.187	38%	0.381	C	S	.	.	H	α-helix	trans	-68.7	-26.3	176.4	-69.1	-173	79.5	0	0	113.1	I106 P224 S225 E226 Q234	I106-Q229 HydrophobicContact CD1-CG 4.01Å; P224-Q229 HydrophobicContact CB-CG 4.03Å; P224-Q229 PolarHBondContact O-NE2 3.12Å; S225-Q229 PolarHBondContact O-N 3.35Å; E226-Q229 PolarHBondContact O-N 3.12Å; Q229-Q234 PolarHBondContact O-NE2 3.2Å
230	L	71.4	Confident	80	Confident	133 Å²	133	75.6 Å²	75.6	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-77.9	-39	172	-73.5	167.3	0	0	0	112.4	E226 E228 A232 Q234	E226-L230 WeakPolarHBondContact O-CB 3.31Å; E226-L230 WeakPolarHBondContact O-CG 3.45Å; E226-L230 PolarHBondContact O-N 2.97Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 PolarHBondContact O-N 3.42Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-Q234 PolarHBondContact O-NE2 2.83Å
231	R	71.8	Confident	79.6	Confident	211 Å²	211	78.9 Å²	78.9	80%	0.796	38%	0.38	S	S	*	.	H	α-helix	trans	-72	-22.3	175.9	-71.9	173.9	-179	-178.9	1.1	113.7	Q227 E228	Q227-R231 WeakPolarHBondContact O-CB 3.19Å; Q227-R231 VanDerWaalsContact O-CG 3.29Å; Q227-R231 WeakPolarHBondContact O-CG 3.37Å; Q227-R231 PolarHBondContact O-N 2.73Å; E228-R231 PolarHBondContact O-N 2.9Å
232	A	75.4	Confident	78.9	Confident	16 Å²	16	83.2 Å²	83.2	13%	0.132	40%	0.399	C	S	.	.	S	Bend	trans	-66.1	158.6	177.6	0	0	0	0	0	113.4	C104 I106 E228 L230 Q234	C104-A232 HydrophobicContact CB-CB 4.2Å; C104-A232 WeakPolarHBondContact O-CB 3.45Å; I106-A232 HydrophobicContact CD1-CB 3.88Å; I106-A232 HydrophobicContact CG1-CB 3.62Å; E228-A232 WeakPolarHBondContact O-CB 3.37Å; E228-A232 PolarHBondContact O-N 2.89Å; L230-A232 VanDerWaalsContact C-N 3.32Å; A232-Q234 PolarHBondContact O-N 2.9Å; A232-Q234 VanDerWaalsContact O-N 3.14Å; A232-Q234 PolarHBondContact O-NE2 2.85Å
233	R	74.8	Confident	78.4	Confident	139 Å²	139	78 Å²	78	53%	0.525	38%	0.376	S	S	.	.			trans	-61.1	117.2	175.5	-177.7	-175.7	-80.9	-153.8	-2.3	109.1	C104 I235 E256	C104-R233 PolarHBondContact O-N 3.44Å; R233-I235 PolarHBondContact O-N 3.23Å; R233-E256 IonicContact CZ-OE1 3.62Å; R233-E256 IonicContact NH1-OE1 3.21Å; R233-E256 PolarHBondContact NH1-OE1 2.98Å; R233-E256 IonicContact NH2-OE1 3.43Å
234	Q	78.3	Confident	78.1	Confident	89 Å²	89	74.8 Å²	74.8	42%	0.416	36%	0.359	S	S	.	.			trans	-75.1	60.1	-172.5	-64.9	-56.9	-38.8	0	0	113.5	N128 Q229 L230 A232	N128-Q234 PolarHBondContact ND2-OE1 3.3Å; Q229-Q234 PolarHBondContact O-NE2 3.2Å; L230-Q234 PolarHBondContact O-NE2 2.83Å; A232-Q234 PolarHBondContact O-N 2.9Å; A232-Q234 VanDerWaalsContact O-N 3.14Å; A232-Q234 PolarHBondContact O-NE2 2.85Å
235	I	78.7	Confident	77.5	Confident	6 Å²	6	79.3 Å²	79.3	3%	0.031	38%	0.38	C	S	.	.			trans	-67.5	131.1	-179.4	-168.1	176.8	0	0	0	111.8	Y103 C104 R233 Q239 I240 L243 L255	Y103-I235 HydrophobicContact CD1-CD1 4.47Å; Y103-I235 HydrophobicContact CG-CD1 4.5Å; Y103-I235 WeakPolarHBondContact O-CD1 3.39Å; C104-I235 HydrophobicContact CB-CG2 4.32Å; R233-I235 PolarHBondContact O-N 3.23Å; I235-Q239 HydrophobicContact CD1-CB 4.47Å; I235-Q239 HydrophobicContact CG1-CB 3.84Å; I235-I240 HydrophobicContact CD1-CD1 4.25Å; I235-I240 HydrophobicContact CD1-CG1 3.44Å; I235-I240 VanDerWaalsContact CD1-CG1 3.44Å; I235-I240 HydrophobicContact CG1-CD1 4.42Å; I235-I240 HydrophobicContact CG1-CG1 3.86Å; I235-I240 HydrophobicContact CG2-CD1 4.11Å; I235-I240 HydrophobicContact CG2-CG1 4.42Å; I235-L243 HydrophobicContact CD1-CD2 4.4Å; I235-L255 HydrophobicContact CD1-CD1 4.11Å; I235-L255 HydrophobicContact CD1-CD2 3.78Å; I235-L255 HydrophobicContact CG1-CD2 4.2Å
236	T	80.6	Confident	77.1	Confident	59 Å²	59	78.9 Å²	78.9	36%	0.362	37%	0.373	S	S	.	.			trans	-82.4	156.4	176.5	65.4	0	0	0	0	112	Q238 Q239 I240	T236-Q238 PolarHBondContact O-N 3.19Å; T236-Q238 VanDerWaalsContact O-N 3.11Å; T236-Q238 PolarHBondContact OG1-N 2.96Å; T236-Q239 PolarHBondContact O-N 3.15Å; T236-Q239 VanDerWaalsContact O-N 3.16Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.44Å; T236-Q239 PolarHBondContact OG1-N 2.95Å; T236-Q239 VanDerWaalsContact OG1-N 3.09Å; T236-Q239 PolarHBondContact OG1-OE1 2.94Å; T236-I240 PolarHBondContact O-N 3.19Å
237	A	77.4	Confident	77.3	Confident	40 Å²	40	72.8 Å²	72.8	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-58.5	-22.2	170.6	0	0	0	0	0	113.6	T129 N241	T129-A237 HydrophobicContact CG2-CB 4.31Å; A237-N241 PolarHBondContact O-N 3.22Å; A237-N241 PolarHBondContact O-ND2 2.87Å; A237-N241 PolarHBondContact O-OD1 2.66Å
238	Q	74.8	Confident	77.2	Confident	152 Å²	152	72.1 Å²	72.1	71%	0.71	34%	0.338	S	S	*	.	H	α-helix	trans	-78.9	-41.6	174.6	-65.9	-168.3	9.6	0	0	112.6	T236 I240 N241 K242	T236-Q238 PolarHBondContact O-N 3.19Å; T236-Q238 VanDerWaalsContact O-N 3.11Å; T236-Q238 PolarHBondContact OG1-N 2.96Å; Q238-I240 VanDerWaalsContact C-N 3.33Å; Q238-N241 VanDerWaalsContact O-CB 3.31Å; Q238-N241 WeakPolarHBondContact O-CB 3.28Å; Q238-N241 PolarHBondContact O-N 2.68Å; Q238-N241 VanDerWaalsContact O-N 3.11Å; Q238-K242 PolarHBondContact O-N 3.01Å; Q238-K242 VanDerWaalsContact O-N 3.11Å
239	Q	78.3	Confident	77	Confident	76 Å²	76	75.4 Å²	75.4	36%	0.355	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-41.2	172.3	-75.5	154	-44.4	0	0	111	I235 T236 N241 K242 L243 L255 L258	I235-Q239 HydrophobicContact CD1-CB 4.47Å; I235-Q239 HydrophobicContact CG1-CB 3.84Å; T236-Q239 PolarHBondContact O-N 3.15Å; T236-Q239 VanDerWaalsContact O-N 3.16Å; T236-Q239 WeakPolarHBondContact OG1-CG 3.44Å; T236-Q239 PolarHBondContact OG1-N 2.95Å; T236-Q239 VanDerWaalsContact OG1-N 3.09Å; T236-Q239 PolarHBondContact OG1-OE1 2.94Å; Q239-N241 VanDerWaalsContact C-N 3.3Å; Q239-N241 PolarHBondContact O-N 2.78Å; Q239-K242 PolarHBondContact O-N 3.47Å; Q239-L243 VanDerWaalsContact O-CB 3.28Å; Q239-L243 WeakPolarHBondContact O-CB 3.5Å; Q239-L243 PolarHBondContact O-N 3.35Å; Q239-L255 HydrophobicContact CB-CD2 4.11Å; Q239-L258 HydrophobicContact CB-CD1 4.35Å; Q239-L258 HydrophobicContact CG-CD1 4.37Å
240	I	81.2	Confident	77.2	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-59.6	-39.5	171.4	-68.3	166.2	0	0	0	111.6	Y103 T129 I235 T236 Q238 K242 E244	Y103-I240 HydrophobicContact CD1-CG1 4.19Å; Y103-I240 HydrophobicContact CD2-CD1 3.89Å; Y103-I240 HydrophobicContact CD2-CG1 4.22Å; Y103-I240 HydrophobicContact CE1-CG1 4.26Å; Y103-I240 HydrophobicContact CE1-CG2 3.94Å; Y103-I240 HydrophobicContact CE2-CD1 4.12Å; Y103-I240 HydrophobicContact CE2-CG1 4.34Å; Y103-I240 HydrophobicContact CE2-CG2 4.06Å; Y103-I240 HydrophobicContact CG-CD1 4.23Å; Y103-I240 HydrophobicContact CG-CG1 4.16Å; T129-I240 HydrophobicContact CG2-CD1 3.71Å; I235-I240 HydrophobicContact CD1-CD1 4.25Å; I235-I240 HydrophobicContact CD1-CG1 3.44Å; I235-I240 VanDerWaalsContact CD1-CG1 3.44Å; I235-I240 HydrophobicContact CG1-CD1 4.42Å; I235-I240 HydrophobicContact CG1-CG1 3.86Å; I235-I240 HydrophobicContact CG2-CD1 4.11Å; I235-I240 HydrophobicContact CG2-CG1 4.42Å; T236-I240 PolarHBondContact O-N 3.19Å; Q238-I240 VanDerWaalsContact C-N 3.33Å; I240-K242 PolarHBondContact O-N 3.12Å; I240-E244 HydrophobicContact CG2-CG 4.19Å; I240-E244 VanDerWaalsContact O-CB 3.29Å; I240-E244 WeakPolarHBondContact O-CB 3.27Å; I240-E244 WeakPolarHBondContact O-CG 3.33Å; I240-E244 PolarHBondContact O-N 3.16Å
241	N	77.3	Confident	77.7	Confident	71 Å²	71	74.2 Å²	74.2	38%	0.38	35%	0.354	S	S	.	.	H	α-helix	trans	-58	-49.8	175.6	-63.9	-33.6	0	0	0	111.4	R140 A237 Q238 Q239 E245	R140-N241 PolarHBondContact NH1-OD1 2.88Å; R140-N241 PolarHBondContact NH2-OD1 3.45Å; A237-N241 PolarHBondContact O-N 3.22Å; A237-N241 PolarHBondContact O-ND2 2.87Å; A237-N241 PolarHBondContact O-OD1 2.66Å; Q238-N241 VanDerWaalsContact O-CB 3.31Å; Q238-N241 WeakPolarHBondContact O-CB 3.28Å; Q238-N241 PolarHBondContact O-N 2.68Å; Q238-N241 VanDerWaalsContact O-N 3.11Å; Q239-N241 VanDerWaalsContact C-N 3.3Å; Q239-N241 PolarHBondContact O-N 2.78Å; N241-E245 WeakPolarHBondContact O-CB 3.4Å; N241-E245 PolarHBondContact O-N 3.32Å; N241-E245 VanDerWaalsContact O-N 3.17Å
242	K	77.1	Confident	78	Confident	93 Å²	93	69.7 Å²	69.7	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-71.3	-39	-177.7	-64.3	-158.9	-179.3	-163.1	0	112.4	Q238 Q239 I240 E245 L246 L258 D264	Q238-K242 PolarHBondContact O-N 3.01Å; Q238-K242 VanDerWaalsContact O-N 3.11Å; Q239-K242 PolarHBondContact O-N 3.47Å; I240-K242 PolarHBondContact O-N 3.12Å; K242-E245 WeakPolarHBondContact O-CA 3.18Å; K242-E245 VanDerWaalsContact O-CB 3.31Å; K242-E245 WeakPolarHBondContact O-CB 3.26Å; K242-E245 PolarHBondContact O-N 2.8Å; K242-E245 VanDerWaalsContact O-N 3.08Å; K242-L246 PolarHBondContact O-N 3.37Å; K242-L258 HydrophobicContact CB-CD1 4.37Å; K242-L258 HydrophobicContact CB-CD2 3.4Å; K242-L258 VanDerWaalsContact CB-CD2 3.4Å; K242-L258 HydrophobicContact CD-CD2 4.24Å; K242-L258 HydrophobicContact CG-CD2 4.47Å; K242-D264 IonicContact NZ-OD2 3.75Å; K242-D264 PolarHBondContact NZ-OD2 3.41Å
243	L	81.3	Confident	78.1	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.01	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-44.4	178.8	-174.8	66.6	0	0	0	111.8	Y103 I235 Q239 E245 L246 W247 T254 L255	Y103-L243 HydrophobicContact CD1-CD2 4.18Å; I235-L243 HydrophobicContact CD1-CD2 4.4Å; Q239-L243 VanDerWaalsContact O-CB 3.28Å; Q239-L243 WeakPolarHBondContact O-CB 3.5Å; Q239-L243 PolarHBondContact O-N 3.35Å; L243-E245 PolarHBondContact O-N 2.64Å; L243-L246 PolarHBondContact O-N 2.88Å; L243-W247 HydrophobicContact CD1-CZ2 4Å; L243-W247 HydrophobicContact CD2-CH2 3.79Å; L243-W247 HydrophobicContact CD2-CZ2 3.57Å; L243-W247 HydrophobicContact CG-CD2 4.14Å; L243-W247 HydrophobicContact CG-CH2 4.14Å; L243-W247 HydrophobicContact CG-CZ2 3.67Å; L243-W247 WeakPolarHBondContact O-CB 3.43Å; L243-W247 VanDerWaalsContact O-CG 3.31Å; L243-W247 PolarHBondContact O-N 3.29Å; L243-T254 WeakPolarHBondContact CD1-O 3.32Å; L243-L255 HydrophobicContact CD1-CG 4.43Å; L243-L255 HydrophobicContact CD2-CD2 4.04Å; L243-L255 HydrophobicContact CD2-CG 4.03Å
244	E	82.6	Confident	78.2	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.037	34%	0.338	C	S	.	.	H	α-helix	trans	-68.1	-19.4	172.2	-76.5	-82	141.9	0	0	113.2	Y103 H137 R140 A141 I240 W247 K248	Y103-E244 HydrophobicContact CE1-CG 4.2Å; Y103-E244 WeakPolarHBondContact OH-CG 3.32Å; Y103-E244 PolarHBondContact OH-OE1 2.59Å; Y103-E244 VanDerWaalsContact OH-OE1 3.06Å; H137-E244 IonicContact CE1-OE1 2.93Å; H137-E244 IonicContact CG-OE1 3.07Å; H137-E244 IonicContact ND1-OE1 3.55Å; H137-E244 PolarHBondContact ND1-OE1 3.23Å; H137-E244 IonicContact ND1-OE2 2.65Å; R140-E244 HydrophobicContact CB-CB 4.44Å; R140-E244 HydrophobicContact CB-CG 4.19Å; R140-E244 WeakPolarHBondContact CB-OE2 3.49Å; A141-E244 PolarHBondContact N-OE2 2.97Å; I240-E244 HydrophobicContact CG2-CG 4.19Å; I240-E244 VanDerWaalsContact O-CB 3.29Å; I240-E244 WeakPolarHBondContact O-CB 3.27Å; I240-E244 WeakPolarHBondContact O-CG 3.33Å; I240-E244 PolarHBondContact O-N 3.16Å; E244-W247 HydrophobicContact CG-CE3 4.46Å; E244-W247 VanDerWaalsContact OE1-CE3 3.24Å; E244-W247 VanDerWaalsContact OE1-CZ3 3.27Å; E244-W247 WeakPolarHBondContact OE1-CZ3 3.28Å; E244-K248 VanDerWaalsContact O-CE 3.25Å; E244-K248 WeakPolarHBondContact O-CE 3.38Å; E244-K248 WeakPolarHBondContact O-CG 3.42Å
245	E	76.9	Confident	77.8	Confident	101 Å²	101	62.4 Å²	62.4	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-77.7	-46.7	171.3	-161.6	108.3	-97.9	0	0	110.8	N241 K242 L243 K248	N241-E245 WeakPolarHBondContact O-CB 3.4Å; N241-E245 PolarHBondContact O-N 3.32Å; N241-E245 VanDerWaalsContact O-N 3.17Å; K242-E245 WeakPolarHBondContact O-CA 3.18Å; K242-E245 VanDerWaalsContact O-CB 3.31Å; K242-E245 WeakPolarHBondContact O-CB 3.26Å; K242-E245 PolarHBondContact O-N 2.8Å; K242-E245 VanDerWaalsContact O-N 3.08Å; L243-E245 PolarHBondContact O-N 2.64Å; E245-K248 WeakPolarHBondContact O-CB 3.3Å; E245-K248 PolarHBondContact O-N 3.49Å; E245-K248 IonicContact OE1-NZ 3.8Å; E245-K248 PolarHBondContact OE1-NZ 3.15Å
246	L	78.9	Confident	77.3	Confident	45 Å²	45	66.9 Å²	66.9	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-43.3	174	-73	-173.2	0	0	0	112	K242 L243 K248 E249 N250 A253 D257 L258	K242-L246 PolarHBondContact O-N 3.37Å; L243-L246 PolarHBondContact O-N 2.88Å; L246-K248 PolarHBondContact O-N 2.89Å; L246-E249 PolarHBondContact O-N 2.88Å; L246-N250 PolarHBondContact O-N 2.93Å; L246-A253 HydrophobicContact CB-CB 4Å; L246-A253 HydrophobicContact CD1-CB 4.15Å; L246-D257 HydrophobicContact CD1-CB 3.91Å; L246-L258 HydrophobicContact CD1-CD2 3.63Å; L246-L258 HydrophobicContact CD1-CG 4.45Å; L246-L258 HydrophobicContact CG-CD2 4.25Å
247	W	82.5	Confident	76.8	Confident	36 Å²	36	66 Å²	66	14%	0.136	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.2	-179.8	-73.4	-12.3	0	0	0	115	S102 Y103 K120 F122 L243 E244 N250 A253	S102-W247 WeakPolarHBondContact O-CH2 3.42Å; Y103-W247 AromaticContact CD1-CH2 3.99Å; Y103-W247 HydrophobicContact CD1-CH2 3.99Å; Y103-W247 HydrophobicContact CD1-CZ3 4.21Å; Y103-W247 AromaticContact CE1-CH2 3.97Å; Y103-W247 HydrophobicContact CE1-CH2 3.97Å; Y103-W247 AromaticContact CE1-CZ3 3.7Å; Y103-W247 HydrophobicContact CE1-CZ3 3.7Å; K120-W247 HydrophobicContact CD-CH2 4.21Å; K120-W247 HydrophobicContact CD-CZ2 4.38Å; K120-W247 HydrophobicContact CD-CZ3 4.27Å; K120-W247 VanDerWaalsContact NZ-CD2 3.27Å; F122-W247 HydrophobicContact CE1-CH2 4.32Å; F122-W247 HydrophobicContact CE1-CZ3 4.07Å; F122-W247 HydrophobicContact CZ-CH2 4.45Å; F122-W247 HydrophobicContact CZ-CZ3 4.02Å; L243-W247 HydrophobicContact CD1-CZ2 4Å; L243-W247 HydrophobicContact CD2-CH2 3.79Å; L243-W247 HydrophobicContact CD2-CZ2 3.57Å; L243-W247 HydrophobicContact CG-CD2 4.14Å; L243-W247 HydrophobicContact CG-CH2 4.14Å; L243-W247 HydrophobicContact CG-CZ2 3.67Å; L243-W247 WeakPolarHBondContact O-CB 3.43Å; L243-W247 VanDerWaalsContact O-CG 3.31Å; L243-W247 PolarHBondContact O-N 3.29Å; E244-W247 HydrophobicContact CG-CE3 4.46Å; E244-W247 VanDerWaalsContact OE1-CE3 3.24Å; E244-W247 VanDerWaalsContact OE1-CZ3 3.27Å; E244-W247 WeakPolarHBondContact OE1-CZ3 3.28Å; W247-N250 WeakPolarHBondContact CA-O 3.38Å; W247-A253 PolarHBondContact NE1-O 2.78Å
248	K	72.6	Confident	76.1	Confident	120 Å²	120	65.9 Å²	65.9	52%	0.522	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.8	172	-61	165.3	-167.6	168	0	113.3	E244 E245 L246	E244-K248 VanDerWaalsContact O-CE 3.25Å; E244-K248 WeakPolarHBondContact O-CE 3.38Å; E244-K248 WeakPolarHBondContact O-CG 3.42Å; E245-K248 WeakPolarHBondContact O-CB 3.3Å; E245-K248 PolarHBondContact O-N 3.49Å; E245-K248 IonicContact OE1-NZ 3.8Å; E245-K248 PolarHBondContact OE1-NZ 3.15Å; L246-K248 PolarHBondContact O-N 2.89Å
249	E	71.8	Confident	75.4	Confident	146 Å²	146	66.5 Å²	66.5	68%	0.682	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-36	-176	-64.7	-176.2	178.3	0	0	111.7	L246 K297	L246-E249 PolarHBondContact O-N 2.88Å; E249-K297 IonicContact OE1-NZ 3.53Å; E249-K297 PolarHBondContact OE1-NZ 3.04Å
250	N	78.2	Confident	74.6	Confident	66 Å²	66	68.8 Å²	68.8	35%	0.353	34%	0.343	S	S	.	.			trans	-129.1	96.6	172.2	-179.4	8.2	0	0	0	110.4	L246 W247 T252 A253	L246-N250 PolarHBondContact O-N 2.93Å; W247-N250 WeakPolarHBondContact CA-O 3.38Å; N250-T252 PolarHBondContact O-N 3.49Å; N250-T252 PolarHBondContact OD1-N 2.95Å; N250-T252 PolarHBondContact OD1-OG1 2.83Å; N250-A253 HydrophobicContact CB-CB 4.19Å; N250-A253 WeakPolarHBondContact O-CB 3.45Å; N250-A253 PolarHBondContact O-N 3.04Å
251	P	80.6	Confident	72.8	Confident	83 Å²	83	75.1 Å²	75.1	54%	0.539	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.8	-176	28.6	-35.4	0	0	0	114.1	K120	K120-P251 PolarHBondContact NZ-O 2.72Å
252	T	78.6	Confident	71.6	Confident	115 Å²	115	75.7 Å²	75.7	71%	0.706	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-0	175.6	57	0	0	0	0	113.7	N250	N250-T252 PolarHBondContact O-N 3.49Å; N250-T252 PolarHBondContact OD1-N 2.95Å; N250-T252 PolarHBondContact OD1-OG1 2.83Å
253	A	77.7	Confident	70.5	Confident	5 Å²	5	75.7 Å²	75.7	4%	0.041	42%	0.415	C	S	.	.			trans	-57.5	141.1	-180	0	0	0	0	0	112.6	L246 W247 N250 D257	L246-A253 HydrophobicContact CB-CB 4Å; L246-A253 HydrophobicContact CD1-CB 4.15Å; W247-A253 PolarHBondContact NE1-O 2.78Å; N250-A253 HydrophobicContact CB-CB 4.19Å; N250-A253 WeakPolarHBondContact O-CB 3.45Å; N250-A253 PolarHBondContact O-N 3.04Å; A253-D257 WeakPolarHBondContact CA-OD2 3.48Å; A253-D257 HydrophobicContact CB-CB 4.36Å
254	T	76.9	Confident	69.1	Low	61 Å²	61	79.4 Å²	79.4	37%	0.374	44%	0.435	S	S	.	.			trans	-101.9	-174.8	177.7	73.6	0	0	0	0	111.5	L243 E256 D257	L243-T254 WeakPolarHBondContact CD1-O 3.32Å; T254-E256 VanDerWaalsContact C-N 3.28Å; T254-E256 WeakPolarHBondContact CB-OE2 3.37Å; T254-E256 PolarHBondContact OG1-N 2.56Å; T254-E256 VanDerWaalsContact OG1-N 3.16Å; T254-E256 PolarHBondContact OG1-OE2 3.44Å; T254-D257 PolarHBondContact N-OD2 2.84Å
255	L	70.3	Confident	67.9	Low	25 Å²	25	88 Å²	88	13%	0.131	48%	0.475	C	S	.	.	S	Bend	trans	-72.9	-24.1	171.6	-77.3	151.5	0	0	0	112	I235 Q239 L243 D257 L258	I235-L255 HydrophobicContact CD1-CD1 4.11Å; I235-L255 HydrophobicContact CD1-CD2 3.78Å; I235-L255 HydrophobicContact CG1-CD2 4.2Å; Q239-L255 HydrophobicContact CB-CD2 4.11Å; L243-L255 HydrophobicContact CD1-CG 4.43Å; L243-L255 HydrophobicContact CD2-CD2 4.04Å; L243-L255 HydrophobicContact CD2-CG 4.03Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-L258 HydrophobicContact CD2-CD1 3.87Å; L255-L258 VanDerWaalsContact O-CB 3.31Å; L255-L258 WeakPolarHBondContact O-CB 3.33Å; L255-L258 WeakPolarHBondContact O-CG 3.46Å; L255-L258 PolarHBondContact O-N 2.9Å
256	E	68.6	Low	67.7	Low	101 Å²	101	89.3 Å²	89.3	47%	0.472	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-73.7	-22.9	178.1	-55.5	82.2	-133.6	0	0	111.9	R233 T254 L258 E259	R233-E256 IonicContact CZ-OE1 3.62Å; R233-E256 IonicContact NH1-OE1 3.21Å; R233-E256 PolarHBondContact NH1-OE1 2.98Å; R233-E256 IonicContact NH2-OE1 3.43Å; T254-E256 VanDerWaalsContact C-N 3.28Å; T254-E256 WeakPolarHBondContact CB-OE2 3.37Å; T254-E256 PolarHBondContact OG1-N 2.56Å; T254-E256 VanDerWaalsContact OG1-N 3.16Å; T254-E256 PolarHBondContact OG1-OE2 3.44Å; E256-L258 PolarHBondContact O-N 3.28Å; E256-E259 PolarHBondContact O-N 3.49Å
257	D	68.3	Low	67.9	Low	39 Å²	39	88.4 Å²	88.4	21%	0.209	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-65.3	-16.4	171.7	-75.5	-54.8	0	0	0	113.9	L246 A253 T254 L255 E259 K260	L246-D257 HydrophobicContact CD1-CB 3.91Å; A253-D257 WeakPolarHBondContact CA-OD2 3.48Å; A253-D257 HydrophobicContact CB-CB 4.36Å; T254-D257 PolarHBondContact N-OD2 2.84Å; L255-D257 VanDerWaalsContact C-N 3.31Å; D257-E259 VanDerWaalsContact C-N 3.25Å; D257-E259 PolarHBondContact O-N 2.83Å; D257-K260 IonicContact OD1-NZ 3.55Å; D257-K260 PolarHBondContact OD1-NZ 2.84Å
258	L	63.5	Low	67.8	Low	38 Å²	38	92.6 Å²	92.6	20%	0.199	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-73.7	-13.5	-179.4	-63.8	179.5	0	0	0	114.3	Q239 K242 L246 L255 E256	Q239-L258 HydrophobicContact CB-CD1 4.35Å; Q239-L258 HydrophobicContact CG-CD1 4.37Å; K242-L258 HydrophobicContact CB-CD1 4.37Å; K242-L258 HydrophobicContact CB-CD2 3.4Å; K242-L258 VanDerWaalsContact CB-CD2 3.4Å; K242-L258 HydrophobicContact CD-CD2 4.24Å; K242-L258 HydrophobicContact CG-CD2 4.47Å; L246-L258 HydrophobicContact CD1-CD2 3.63Å; L246-L258 HydrophobicContact CD1-CG 4.45Å; L246-L258 HydrophobicContact CG-CD2 4.25Å; L255-L258 HydrophobicContact CD2-CD1 3.87Å; L255-L258 VanDerWaalsContact O-CB 3.31Å; L255-L258 WeakPolarHBondContact O-CB 3.33Å; L255-L258 WeakPolarHBondContact O-CG 3.46Å; L255-L258 PolarHBondContact O-N 2.9Å; E256-L258 PolarHBondContact O-N 3.28Å
259	E	60.9	Low	68.7	Low	165 Å²	165	92 Å²	92	77%	0.771	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-103.1	1.4	-170.1	-57.5	-173.8	166.5	0	0	112.8	E256 D257	E256-E259 PolarHBondContact O-N 3.49Å; D257-E259 VanDerWaalsContact C-N 3.25Å; D257-E259 PolarHBondContact O-N 2.83Å
260	K	61	Low	69.8	Low	124 Å²	124	86.1 Å²	86.1	54%	0.539	47%	0.472	S	S	.	.			trans	-76	128.8	-179.3	-69.4	172	179.1	171.4	0	111.5	D257	D257-K260 IonicContact OD1-NZ 3.55Å; D257-K260 PolarHBondContact OD1-NZ 2.84Å
261	P	42.5	Very low	70.3	Confident	133 Å²	133	85.7 Å²	85.7	86%	0.864	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	146.9	-178.8	28	-34.6	0	0	0	112.2
262	G	53.5	Low	70.9	Confident	84 Å²	84	85.5 Å²	85.5	87%	0.866	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.1	0.5	179	0	0	0	0	0	116
263	V	52.4	Low	71.4	Confident	93 Å²	93	86.7 Å²	86.7	56%	0.564	46%	0.455	S	S	*	.	S	Bend	trans	-90.2	-20.1	-175.8	-178.5	0	0	0	0	113.9
264	D	53.3	Low	71.7	Confident	79 Å²	79	86.7 Å²	86.7	42%	0.422	45%	0.454	S	S	.	.			trans	-133.9	86.9	-177.4	-84.1	-52.8	0	0	0	111.9	K242 K653	K242-D264 IonicContact NZ-OD2 3.75Å; K242-D264 PolarHBondContact NZ-OD2 3.41Å; D264-K653 IonicContact OD1-NZ 3.78Å; D264-K653 PolarHBondContact OD1-NZ 3.03Å
265	E	57.9	Low	71.7	Confident	188 Å²	188	91 Å²	91	88%	0.879	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-83.5	122.2	147.3	-73.1	-170.8	156.4	0	0	107.9
266	E	72	Confident	71.8	Confident	129 Å²	129	92.6 Å²	92.6	60%	0.603	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-85.1	135.8	169.8	-70.4	-144.5	129.1	0	0	110.2
267	P	81.9	Confident	72.2	Confident	27 Å²	27	87.8 Å²	87.8	18%	0.175	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-71.6	145.8	-175.7	30.4	-36.7	0	0	0	112.1	H269 L287 L290 A657	P267-H269 PolarHBondContact O-N 3.33Å; P267-L287 HydrophobicContact CB-CD2 3.83Å; P267-L287 HydrophobicContact CG-CD2 3.97Å; P267-L290 HydrophobicContact CB-CD1 3.82Å; P267-L290 HydrophobicContact CG-CD1 3.7Å; P267-A657 HydrophobicContact CG-CB 4.01Å
268	Q	81.6	Confident	72.4	Confident	123 Å²	123	91.3 Å²	91.3	58%	0.575	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-54.3	133.5	176.7	-177.9	58.9	25.9	0	0	111.8	I283	Q268-I283 HydrophobicContact CB-CG1 4.45Å; Q268-I283 HydrophobicContact CG-CD1 4.08Å; Q268-I283 HydrophobicContact CG-CG1 3.87Å
269	H	91.1	Very high	73.2	Confident	108 Å²	108	91.7 Å²	91.7	50%	0.5	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-69.8	147	178.7	-93.7	-97.1	0	0	0	112.8	P267 K656 A657	P267-H269 PolarHBondContact O-N 3.33Å; H269-K656 PolarHBondContact CE1-O 3.42Å; H269-A657 CarbonylContact C-O 3.58Å; H269-A657 WeakPolarHBondContact CA-O 3.44Å; H269-A657 PolarHBondContact ND1-O 2.8Å
270	V	94.3	Very high	74.2	Confident	23 Å²	23	83.9 Å²	83.9	14%	0.139	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-57.8	134.6	169.2	171.8	0	0	0	0	110.1	F284 L287 A657	V270-F284 HydrophobicContact CG1-CE1 4.44Å; V270-F284 HydrophobicContact CG1-CZ 3.86Å; V270-F284 HydrophobicContact CG2-CD1 4.41Å; V270-F284 HydrophobicContact CG2-CE1 3.72Å; V270-F284 HydrophobicContact CG2-CZ 3.94Å; V270-L287 HydrophobicContact CG2-CD1 3.72Å; V270-A657 PolarHBondContact N-O 2.91Å
271	L	90.4	Very high	75.4	Confident	57 Å²	57	80.1 Å²	80.1	30%	0.298	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-102.4	156.7	-179.1	-57.5	177.5	0	0	0	110.5	R273 Y274 I283 R666	L271-R273 WeakPolarHBondContact CB-O 3.24Å; L271-Y274 HydrophobicContact CB-CE1 4.17Å; L271-Y274 HydrophobicContact CB-CE2 4.26Å; L271-Y274 PolarHBondContact N-OH 3.47Å; L271-Y274 WeakPolarHBondContact O-CE2 3.45Å; L271-Y274 PolarHBondContact O-OH 2.82Å; L271-I283 HydrophobicContact CD1-CD1 3.66Å; L271-I283 HydrophobicContact CG-CD1 3.92Å; L271-R666 WeakPolarHBondContact O-CD 3.26Å
272	L	92.1	Very high	77.2	Confident	79 Å²	79	79 Å²	79	41%	0.414	40%	0.403	S	S	.	.	S	Bend	trans	-74.6	-45.1	170.1	-65	-179.8	0	0	0	111	R666 V669 L670	L272-R666 HydrophobicContact CD2-CG 4.21Å; L272-R666 PolarHBondContact O-NH1 3.08Å; L272-V669 HydrophobicContact CD1-CG1 3.86Å; L272-V669 HydrophobicContact CD2-CB 4.17Å; L272-V669 HydrophobicContact CD2-CG1 3.6Å; L272-V669 HydrophobicContact CG-CG1 4.41Å; L272-L670 HydrophobicContact CB-CD2 4.16Å; L272-L670 WeakPolarHBondContact O-CD1 3.29Å
273	R	89.1	Confident	78.9	Confident	139 Å²	139	75.7 Å²	75.7	53%	0.525	37%	0.365	S	S	.	.	S	Bend	trans	-113.8	148.7	177.8	-64.3	-175.2	166.6	139.7	-13.3	110.2	L271 L425 G426 E428 L670	L271-R273 WeakPolarHBondContact CB-O 3.24Å; R273-L425 CarbonylContact C-O 3.56Å; R273-L425 VanDerWaalsContact CA-O 3.31Å; R273-L425 WeakPolarHBondContact CA-O 3.08Å; R273-G426 WeakPolarHBondContact CG-O 3.38Å; R273-G426 PolarHBondContact NE-O 2.89Å; R273-G426 VanDerWaalsContact NE-O 3.08Å; R273-E428 IonicContact CZ-OE1 2.65Å; R273-E428 IonicContact NH2-OE1 2.7Å; R273-E428 PolarHBondContact NH2-OE1 2.87Å; R273-L670 HydrophobicContact CG-CD2 3.96Å
274	Y	84.8	Confident	80.8	Confident	6 Å²	6	71.3 Å²	71.3	2%	0.024	34%	0.338	C	S	.	.			trans	-129.3	149.6	178.1	-65.2	-95.3	0	0	0	108.6	L271 Q279 Y280 I283 F284 L425 H427	L271-Y274 HydrophobicContact CB-CE1 4.17Å; L271-Y274 HydrophobicContact CB-CE2 4.26Å; L271-Y274 PolarHBondContact N-OH 3.47Å; L271-Y274 WeakPolarHBondContact O-CE2 3.45Å; L271-Y274 PolarHBondContact O-OH 2.82Å; Y274-Q279 VanDerWaalsContact CA-OE1 3.27Å; Y274-Q279 HydrophobicContact CD1-CG 4.5Å; Y274-Y280 HydrophobicContact CD1-CD2 4.1Å; Y274-Y280 HydrophobicContact CD1-CG 4.44Å; Y274-Y280 AromaticContact CD2-CD2 3.85Å; Y274-Y280 HydrophobicContact CD2-CD2 3.85Å; Y274-Y280 AromaticContact CE1-CD2 3.99Å; Y274-Y280 HydrophobicContact CE1-CD2 3.99Å; Y274-Y280 HydrophobicContact CE1-CG 4.47Å; Y274-Y280 AromaticContact CE2-CD2 3.77Å; Y274-Y280 HydrophobicContact CE2-CD2 3.77Å; Y274-Y280 HydrophobicContact CE2-CE2 4.27Å; Y274-Y280 HydrophobicContact CG-CD2 4.02Å; Y274-Y280 AromaticContact CZ-CD2 3.84Å; Y274-I283 HydrophobicContact CD1-CD1 4.31Å; Y274-I283 HydrophobicContact CE1-CB 4.3Å; Y274-I283 HydrophobicContact CE1-CD1 3.83Å; Y274-F284 AromaticContact CZ-CE2 3.99Å; Y274-F284 VanDerWaalsContact OH-CE2 3.22Å; Y274-F284 WeakPolarHBondContact OH-CE2 3.33Å; Y274-L425 PolarHBondContact N-O 2.97Å; Y274-H427 PolarHBondContact O-CD2 2.75Å; Y274-H427 PolarHBondContact O-NE2 3.06Å
275	E	75.9	Confident	82.7	Confident	151 Å²	151	68 Å²	68	71%	0.706	32%	0.323	S	S	*	.	S	Bend	trans	-73.2	-45.2	176.5	-72.7	160.8	-136	0	0	111.8	Q279 H427	E275-Q279 PolarHBondContact OE1-NE2 3.18Å; E275-H427 PolarHBondContact O-CE1 3.07Å; E275-H427 PolarHBondContact O-NE2 3.15Å
276	D	71.9	Confident	84.2	Confident	59 Å²	59	62.1 Å²	62.1	32%	0.316	30%	0.301	S	S	.	.	S	Bend	trans	-149.9	178.6	177.9	72.1	12.3	0	0	0	111.9	Y278 Q279 Y280	D276-Y278 VanDerWaalsContact C-N 3.29Å; D276-Y278 PolarHBondContact O-N 3.23Å; D276-Y278 WeakPolarHBondContact OD1-CA 3.48Å; D276-Y278 WeakPolarHBondContact OD1-CB 3.48Å; D276-Y278 PolarHBondContact OD1-N 2.73Å; D276-Q279 PolarHBondContact OD1-N 2.73Å; D276-Y280 PolarHBondContact O-N 3.16Å
277	A	77.8	Confident	85.3	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-73.1	-15.1	176.9	0	0	0	0	0	114.3	Q281 F409 A410 Y421	A277-Q281 WeakPolarHBondContact O-CB 3.13Å; A277-Q281 PolarHBondContact O-N 2.66Å; A277-F409 HydrophobicContact CB-CD1 3.57Å; A277-F409 HydrophobicContact CB-CE1 3.62Å; A277-F409 HydrophobicContact CB-CG 4.19Å; A277-F409 HydrophobicContact CB-CZ 4.26Å; A277-F409 VanDerWaalsContact CB-O 3.3Å; A277-F409 WeakPolarHBondContact CB-O 3.44Å; A277-A410 HydrophobicContact CB-CB 4.24Å; A277-Y421 HydrophobicContact CB-CE2 3.63Å; A277-Y421 PolarHBondContact N-OH 3.12Å
278	Y	73.2	Confident	85.9	Confident	112 Å²	112	54.8 Å²	54.8	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-75.9	-44.5	173.2	-69.2	-85.2	0	0	0	111.1	D276 Y280 Q281 N282 A410 V411	D276-Y278 VanDerWaalsContact C-N 3.29Å; D276-Y278 PolarHBondContact O-N 3.23Å; D276-Y278 WeakPolarHBondContact OD1-CA 3.48Å; D276-Y278 WeakPolarHBondContact OD1-CB 3.48Å; D276-Y278 PolarHBondContact OD1-N 2.73Å; Y278-Y280 VanDerWaalsContact C-N 3.28Å; Y278-Y280 PolarHBondContact O-N 2.82Å; Y278-Q281 PolarHBondContact O-N 2.94Å; Y278-N282 VanDerWaalsContact O-CB 3.31Å; Y278-N282 WeakPolarHBondContact O-CB 3.47Å; Y278-N282 PolarHBondContact O-N 3.16Å; Y278-N282 PolarHBondContact O-ND2 2.83Å; Y278-A410 HydrophobicContact CD1-CB 3.97Å; Y278-A410 HydrophobicContact CE1-CB 4.04Å; Y278-A410 VanDerWaalsContact CE2-O 3.32Å; Y278-A410 WeakPolarHBondContact CE2-O 3.15Å; Y278-A410 HydrophobicContact CG-CB 4.23Å; Y278-A410 VanDerWaalsContact CZ-O 3.28Å; Y278-A410 PolarHBondContact OH-O 3.48Å; Y278-V411 HydrophobicContact CE1-CG1 4.27Å
279	Q	78.8	Confident	86.4	Confident	47 Å²	47	54.8 Å²	54.8	22%	0.22	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-41.6	171.6	-169.5	-173.6	70.9	0	0	110.7	Y274 E275 D276 N282 I283	Y274-Q279 VanDerWaalsContact CA-OE1 3.27Å; Y274-Q279 HydrophobicContact CD1-CG 4.5Å; E275-Q279 PolarHBondContact OE1-NE2 3.18Å; D276-Q279 PolarHBondContact OD1-N 2.73Å; Q279-N282 PolarHBondContact O-N 2.98Å; Q279-I283 HydrophobicContact CG-CD1 4.29Å; Q279-I283 WeakPolarHBondContact O-CG1 3.49Å; Q279-I283 PolarHBondContact O-N 2.93Å; Q279-I283 VanDerWaalsContact O-N 3.07Å
280	Y	83.4	Confident	86.4	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-47.3	172.9	-178.8	-88.7	0	0	0	112.7	Y274 D276 Y278 I283 F284 L406 F409 L425 E622 M626	Y274-Y280 HydrophobicContact CD1-CD2 4.1Å; Y274-Y280 HydrophobicContact CD1-CG 4.44Å; Y274-Y280 AromaticContact CD2-CD2 3.85Å; Y274-Y280 HydrophobicContact CD2-CD2 3.85Å; Y274-Y280 AromaticContact CE1-CD2 3.99Å; Y274-Y280 HydrophobicContact CE1-CD2 3.99Å; Y274-Y280 HydrophobicContact CE1-CG 4.47Å; Y274-Y280 AromaticContact CE2-CD2 3.77Å; Y274-Y280 HydrophobicContact CE2-CD2 3.77Å; Y274-Y280 HydrophobicContact CE2-CE2 4.27Å; Y274-Y280 HydrophobicContact CG-CD2 4.02Å; Y274-Y280 AromaticContact CZ-CD2 3.84Å; D276-Y280 PolarHBondContact O-N 3.16Å; Y278-Y280 VanDerWaalsContact C-N 3.28Å; Y278-Y280 PolarHBondContact O-N 2.82Å; Y280-I283 PolarHBondContact O-N 2.84Å; Y280-F284 HydrophobicContact CD1-CD2 4.24Å; Y280-F284 AromaticContact CD2-CD2 3.95Å; Y280-F284 HydrophobicContact CD2-CD2 3.95Å; Y280-F284 AromaticContact CD2-CE2 3.92Å; Y280-F284 HydrophobicContact CD2-CE2 3.92Å; Y280-F284 HydrophobicContact CE1-CD2 4.04Å; Y280-F284 AromaticContact CE2-CD2 3.73Å; Y280-F284 HydrophobicContact CE2-CD2 3.73Å; Y280-F284 AromaticContact CE2-CE2 3.45Å; Y280-F284 HydrophobicContact CE2-CE2 3.45Å; Y280-F284 VanDerWaalsContact CE2-CE2 3.45Å; Y280-F284 HydrophobicContact CG-CD2 4.21Å; Y280-F284 AromaticContact CZ-CD2 3.77Å; Y280-F284 AromaticContact CZ-CE2 3.8Å; Y280-F284 PolarHBondContact O-N 2.97Å; Y280-L406 HydrophobicContact CD1-CD2 4.09Å; Y280-L406 HydrophobicContact CE1-CD2 3.54Å; Y280-F409 AromaticContact CD1-CD1 3.6Å; Y280-F409 HydrophobicContact CD1-CD1 3.6Å; Y280-F409 AromaticContact CD1-CE1 3.69Å; Y280-F409 HydrophobicContact CD1-CE1 3.69Å; Y280-F409 AromaticContact CE1-CD1 3.78Å; Y280-F409 HydrophobicContact CE1-CD1 3.78Å; Y280-F409 AromaticContact CE1-CE1 3.9Å; Y280-F409 HydrophobicContact CE1-CE1 3.9Å; Y280-F409 HydrophobicContact CG-CD1 4.34Å; Y280-F409 HydrophobicContact CG-CE1 4Å; Y280-L425 HydrophobicContact CD2-CD2 4.4Å; Y280-L425 HydrophobicContact CG-CD2 4.44Å; Y280-E622 WeakPolarHBondContact CE2-OE1 3.01Å; Y280-E622 VanDerWaalsContact OH-CG 3.3Å; Y280-E622 WeakPolarHBondContact OH-CG 3.4Å; Y280-E622 PolarHBondContact OH-OE1 2.89Å; Y280-M626 HydrophobicContact CE1-CG 4.49Å; Y280-M626 WeakPolarHBondContact OH-CG 3.47Å
281	Q	86.1	Confident	86.2	Confident	45 Å²	45	52.2 Å²	52.2	21%	0.21	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-42.4	173.8	179.9	-176.2	-8	0	0	111.8	A277 Y278 I283 G285 L406 A410	A277-Q281 WeakPolarHBondContact O-CB 3.13Å; A277-Q281 PolarHBondContact O-N 2.66Å; Y278-Q281 PolarHBondContact O-N 2.94Å; Q281-I283 VanDerWaalsContact C-N 3.26Å; Q281-I283 PolarHBondContact O-N 3.23Å; Q281-G285 WeakPolarHBondContact O-CA 3.25Å; Q281-G285 PolarHBondContact O-N 3.25Å; Q281-L406 HydrophobicContact CG-CB 4.15Å; Q281-A410 HydrophobicContact CB-CB 4.37Å; Q281-A410 VanDerWaalsContact OE1-CB 3.31Å
282	N	80.4	Confident	86.3	Confident	111 Å²	111	50 Å²	50	59%	0.594	24%	0.241	S	C	*	.	H	α-helix	trans	-67.8	-24.4	-177.1	-71.1	-19.9	0	0	0	112.9	Y278 Q279 P286	Y278-N282 VanDerWaalsContact O-CB 3.31Å; Y278-N282 WeakPolarHBondContact O-CB 3.47Å; Y278-N282 PolarHBondContact O-N 3.16Å; Y278-N282 PolarHBondContact O-ND2 2.83Å; Q279-N282 PolarHBondContact O-N 2.98Å; N282-P286 WeakPolarHBondContact O-CD 3.39Å; N282-P286 VanDerWaalsContact O-CG 3.25Å; N282-P286 WeakPolarHBondContact O-CG 3.37Å
283	I	87.8	Confident	86	Confident	13 Å²	13	50 Å²	50	7%	0.067	24%	0.241	C	C	.	.	H	α-helix	trans	-88	-50.5	174.3	-68.4	169.9	0	0	0	111	Q268 L271 Y274 Q279 Y280 Q281 L287	Q268-I283 HydrophobicContact CB-CG1 4.45Å; Q268-I283 HydrophobicContact CG-CD1 4.08Å; Q268-I283 HydrophobicContact CG-CG1 3.87Å; L271-I283 HydrophobicContact CD1-CD1 3.66Å; L271-I283 HydrophobicContact CG-CD1 3.92Å; Y274-I283 HydrophobicContact CD1-CD1 4.31Å; Y274-I283 HydrophobicContact CE1-CB 4.3Å; Y274-I283 HydrophobicContact CE1-CD1 3.83Å; Q279-I283 HydrophobicContact CG-CD1 4.29Å; Q279-I283 WeakPolarHBondContact O-CG1 3.49Å; Q279-I283 PolarHBondContact O-N 2.93Å; Q279-I283 VanDerWaalsContact O-N 3.07Å; Y280-I283 PolarHBondContact O-N 2.84Å; Q281-I283 VanDerWaalsContact C-N 3.26Å; Q281-I283 PolarHBondContact O-N 3.23Å; I283-L287 WeakPolarHBondContact O-CG 3.3Å
284	F	94	Very high	85.8	Confident	1 Å²	1	48 Å²	48	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-74.5	-29.7	-177.6	-81.7	-68.6	0	0	0	114.1	V270 Y274 Y280 L287 V288 L406 E622 P623 L659	V270-F284 HydrophobicContact CG1-CE1 4.44Å; V270-F284 HydrophobicContact CG1-CZ 3.86Å; V270-F284 HydrophobicContact CG2-CD1 4.41Å; V270-F284 HydrophobicContact CG2-CE1 3.72Å; V270-F284 HydrophobicContact CG2-CZ 3.94Å; Y274-F284 AromaticContact CZ-CE2 3.99Å; Y274-F284 VanDerWaalsContact OH-CE2 3.22Å; Y274-F284 WeakPolarHBondContact OH-CE2 3.33Å; Y280-F284 HydrophobicContact CD1-CD2 4.24Å; Y280-F284 AromaticContact CD2-CD2 3.95Å; Y280-F284 HydrophobicContact CD2-CD2 3.95Å; Y280-F284 AromaticContact CD2-CE2 3.92Å; Y280-F284 HydrophobicContact CD2-CE2 3.92Å; Y280-F284 HydrophobicContact CE1-CD2 4.04Å; Y280-F284 AromaticContact CE2-CD2 3.73Å; Y280-F284 HydrophobicContact CE2-CD2 3.73Å; Y280-F284 AromaticContact CE2-CE2 3.45Å; Y280-F284 HydrophobicContact CE2-CE2 3.45Å; Y280-F284 VanDerWaalsContact CE2-CE2 3.45Å; Y280-F284 HydrophobicContact CG-CD2 4.21Å; Y280-F284 AromaticContact CZ-CD2 3.77Å; Y280-F284 AromaticContact CZ-CE2 3.8Å; Y280-F284 PolarHBondContact O-N 2.97Å; F284-L287 PolarHBondContact O-N 2.91Å; F284-V288 WeakPolarHBondContact O-CG2 3.49Å; F284-V288 PolarHBondContact O-N 3.47Å; F284-L406 HydrophobicContact CB-CD1 3.71Å; F284-L406 HydrophobicContact CB-CD2 3.92Å; F284-L406 HydrophobicContact CB-CG 4.5Å; F284-E622 HydrophobicContact CE1-CB 4.1Å; F284-E622 HydrophobicContact CE1-CG 4.34Å; F284-E622 HydrophobicContact CE2-CG 4.14Å; F284-E622 HydrophobicContact CZ-CB 3.97Å; F284-E622 HydrophobicContact CZ-CG 3.81Å; F284-P623 HydrophobicContact CB-CG 3.99Å; F284-P623 HydrophobicContact CD1-CG 3.55Å; F284-P623 HydrophobicContact CE1-CG 4.24Å; F284-P623 HydrophobicContact CG-CG 3.94Å; F284-L659 HydrophobicContact CD1-CD1 4.36Å
285	G	91.3	Very high	85.7	Confident	9 Å²	9	49.2 Å²	49.2	9%	0.093	24%	0.241	C	C	.	.	H	α-helix	trans	-59.5	-52.5	-178.7	0	0	0	0	0	113.5	Q281 L287 V288 K289 Q403	Q281-G285 WeakPolarHBondContact O-CA 3.25Å; Q281-G285 PolarHBondContact O-N 3.25Å; G285-L287 VanDerWaalsContact C-N 3.31Å; G285-L287 PolarHBondContact O-N 2.85Å; G285-V288 PolarHBondContact O-N 3.17Å; G285-K289 PolarHBondContact O-N 3.42Å; G285-Q403 PolarHBondContact O-NE2 3.17Å
286	P	91.3	Very high	86	Confident	65 Å²	65	45.7 Å²	45.7	42%	0.422	22%	0.224	S	C	.	.	H	α-helix	trans	-58.9	-37.9	173	-27.6	36.9	0	0	0	113.4	N282 K289 L290	N282-P286 WeakPolarHBondContact O-CD 3.39Å; N282-P286 VanDerWaalsContact O-CG 3.25Å; N282-P286 WeakPolarHBondContact O-CG 3.37Å; P286-K289 WeakPolarHBondContact O-CB 3.35Å; P286-K289 PolarHBondContact O-N 3.2Å; P286-L290 WeakPolarHBondContact O-CG 3.4Å; P286-L290 PolarHBondContact O-N 2.82Å
287	L	93.9	Very high	86.3	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-43.8	178.2	-61	178.9	0	0	0	112.2	P267 V270 I283 F284 G285 K289 L290 E291 A654 A657 L659	P267-L287 HydrophobicContact CB-CD2 3.83Å; P267-L287 HydrophobicContact CG-CD2 3.97Å; V270-L287 HydrophobicContact CG2-CD1 3.72Å; I283-L287 WeakPolarHBondContact O-CG 3.3Å; F284-L287 PolarHBondContact O-N 2.91Å; G285-L287 VanDerWaalsContact C-N 3.31Å; G285-L287 PolarHBondContact O-N 2.85Å; L287-K289 VanDerWaalsContact C-N 3.28Å; L287-K289 PolarHBondContact O-N 2.9Å; L287-L290 PolarHBondContact O-N 3.27Å; L287-E291 PolarHBondContact O-N 3.17Å; L287-E291 VanDerWaalsContact O-N 3.08Å; L287-A654 HydrophobicContact CD2-CB 4.42Å; L287-A657 HydrophobicContact CD1-CB 4.33Å; L287-A657 HydrophobicContact CD2-CB 3.5Å; L287-L659 HydrophobicContact CB-CB 4.37Å; L287-L659 HydrophobicContact CB-CD1 4.39Å; L287-L659 HydrophobicContact CB-CD2 4.3Å
288	V	95.4	Very high	86.2	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-35.3	173.6	172.5	0	0	0	0	111.1	F284 G285 A292 F399 M402 Q403 L406 P623 L659	F284-V288 WeakPolarHBondContact O-CG2 3.49Å; F284-V288 PolarHBondContact O-N 3.47Å; G285-V288 PolarHBondContact O-N 3.17Å; V288-A292 WeakPolarHBondContact O-CB 3.37Å; V288-A292 PolarHBondContact O-N 3.35Å; V288-F399 HydrophobicContact CG1-CB 4.3Å; V288-F399 HydrophobicContact CG1-CD1 4.16Å; V288-M402 HydrophobicContact CG1-CB 4.02Å; V288-M402 HydrophobicContact CG1-CE 4.37Å; V288-M402 HydrophobicContact CG2-CB 4.5Å; V288-Q403 HydrophobicContact CG1-CG 3.98Å; V288-L406 HydrophobicContact CG2-CD1 4.29Å; V288-P623 HydrophobicContact CG2-CB 3.65Å; V288-P623 HydrophobicContact CG2-CG 3.61Å; V288-L659 HydrophobicContact CG2-CD1 4.44Å
289	K	91.4	Very high	86.1	Confident	122 Å²	122	44.4 Å²	44.4	53%	0.53	22%	0.219	S	C	.	.	H	α-helix	trans	-67.2	-46	174	-172	-171.4	173	-164.5	0	111.8	G285 P286 L287 E291 A292 D293	G285-K289 PolarHBondContact O-N 3.42Å; P286-K289 WeakPolarHBondContact O-CB 3.35Å; P286-K289 PolarHBondContact O-N 3.2Å; L287-K289 VanDerWaalsContact C-N 3.28Å; L287-K289 PolarHBondContact O-N 2.9Å; K289-E291 VanDerWaalsContact C-N 3.26Å; K289-E291 PolarHBondContact O-N 3.41Å; K289-A292 WeakPolarHBondContact O-CB 3.32Å; K289-A292 PolarHBondContact O-N 2.75Å; K289-A292 VanDerWaalsContact O-N 3.1Å; K289-D293 WeakPolarHBondContact CE-OD2 3.38Å; K289-D293 WeakPolarHBondContact CG-OD2 3.48Å; K289-D293 PolarHBondContact O-N 2.91Å
290	L	90.3	Very high	85.9	Confident	60 Å²	60	47.3 Å²	47.3	31%	0.314	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-32.6	178.1	-76.4	172.4	0	0	0	113	P267 P286 L287 Y294 C651 A654	P267-L290 HydrophobicContact CB-CD1 3.82Å; P267-L290 HydrophobicContact CG-CD1 3.7Å; P286-L290 WeakPolarHBondContact O-CG 3.4Å; P286-L290 PolarHBondContact O-N 2.82Å; L287-L290 PolarHBondContact O-N 3.27Å; L290-Y294 VanDerWaalsContact O-CB 3.26Å; L290-Y294 WeakPolarHBondContact O-CB 3.47Å; L290-Y294 PolarHBondContact O-N 2.93Å; L290-C651 PolarHBondContact O-SG 3.12Å; L290-A654 HydrophobicContact CB-CB 4.21Å
291	E	92	Very high	85.2	Confident	18 Å²	18	51 Å²	51	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-73.7	-42.9	171	-174.1	67.1	-176.4	0	0	111.6	L287 K289 Y294 D295 F399 V649 M650 C651 L659	L287-E291 PolarHBondContact O-N 3.17Å; L287-E291 VanDerWaalsContact O-N 3.08Å; K289-E291 VanDerWaalsContact C-N 3.26Å; K289-E291 PolarHBondContact O-N 3.41Å; E291-Y294 PolarHBondContact O-N 3.36Å; E291-D295 WeakPolarHBondContact O-CB 3.4Å; E291-D295 PolarHBondContact O-N 3.03Å; E291-F399 HydrophobicContact CB-CE1 4.15Å; E291-F399 HydrophobicContact CG-CE1 3.77Å; E291-F399 HydrophobicContact CG-CZ 4.29Å; E291-V649 VanDerWaalsContact OE2-CG1 3.27Å; E291-V649 WeakPolarHBondContact OE2-CG1 3.36Å; E291-M650 WeakPolarHBondContact OE1-CB 3.41Å; E291-M650 PolarHBondContact OE1-N 3.22Å; E291-M650 PolarHBondContact OE2-N 3.39Å; E291-C651 WeakPolarHBondContact OE2-CA 3.23Å; E291-C651 WeakPolarHBondContact OE2-CB 3.39Å; E291-C651 PolarHBondContact OE2-N 2.73Å; E291-L659 HydrophobicContact CB-CD2 3.97Å
292	A	91.1	Very high	84.4	Confident	9 Å²	9	49 Å²	49	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-47.8	179.7	0	0	0	0	0	112.9	V288 K289 Y294 K296 W394 F399	V288-A292 WeakPolarHBondContact O-CB 3.37Å; V288-A292 PolarHBondContact O-N 3.35Å; K289-A292 WeakPolarHBondContact O-CB 3.32Å; K289-A292 PolarHBondContact O-N 2.75Å; K289-A292 VanDerWaalsContact O-N 3.1Å; A292-Y294 VanDerWaalsContact C-N 3.3Å; A292-Y294 PolarHBondContact O-N 2.64Å; A292-K296 VanDerWaalsContact O-CB 3.25Å; A292-K296 WeakPolarHBondContact O-CB 3.28Å; A292-K296 PolarHBondContact O-N 3.07Å; A292-W394 HydrophobicContact CB-CZ2 4.34Å; A292-F399 HydrophobicContact CB-CB 3.77Å; A292-F399 HydrophobicContact CB-CD1 3.63Å; A292-F399 HydrophobicContact CB-CD2 3.78Å; A292-F399 HydrophobicContact CB-CE1 4.15Å; A292-F399 HydrophobicContact CB-CE2 4.27Å; A292-F399 HydrophobicContact CB-CG 3.43Å; A292-F399 VanDerWaalsContact CB-CG 3.43Å; A292-F399 HydrophobicContact CB-CZ 4.43Å
293	D	86.4	Confident	84.3	Confident	80 Å²	80	45.9 Å²	45.9	43%	0.428	23%	0.233	S	C	.	.	H	α-helix	trans	-66.9	-33.3	179.2	-70	-25.7	0	0	0	111.1	K289 K297	K289-D293 WeakPolarHBondContact CE-OD2 3.38Å; K289-D293 WeakPolarHBondContact CG-OD2 3.48Å; K289-D293 PolarHBondContact O-N 2.91Å; D293-K297 WeakPolarHBondContact O-CB 3.41Å; D293-K297 PolarHBondContact O-N 3.35Å
294	Y	85.6	Confident	83.8	Confident	96 Å²	96	47 Å²	47	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-71.5	-47.9	175.6	-168.4	-90.1	0	0	0	112.5	L290 E291 A292 K296 K297 L298 M650 C651	L290-Y294 VanDerWaalsContact O-CB 3.26Å; L290-Y294 WeakPolarHBondContact O-CB 3.47Å; L290-Y294 PolarHBondContact O-N 2.93Å; E291-Y294 PolarHBondContact O-N 3.36Å; A292-Y294 VanDerWaalsContact C-N 3.3Å; A292-Y294 PolarHBondContact O-N 2.64Å; Y294-K296 VanDerWaalsContact C-N 3.32Å; Y294-K296 PolarHBondContact O-N 3.36Å; Y294-K297 PolarHBondContact O-N 2.84Å; Y294-L298 WeakPolarHBondContact O-CB 3.27Å; Y294-L298 PolarHBondContact O-N 3.41Å; Y294-M650 HydrophobicContact CD1-CB 3.79Å; Y294-M650 HydrophobicContact CE1-CB 3.86Å; Y294-C651 HydrophobicContact CD1-CB 4.31Å; Y294-C651 HydrophobicContact CD2-CB 4.39Å; Y294-C651 HydrophobicContact CG-CB 3.93Å
295	D	82.3	Confident	83.2	Confident	32 Å²	32	50.5 Å²	50.5	17%	0.171	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-39.7	175.3	176.2	61	0	0	0	111.4	E291 L298 K299 W394 F399	E291-D295 WeakPolarHBondContact O-CB 3.4Å; E291-D295 PolarHBondContact O-N 3.03Å; D295-L298 PolarHBondContact O-N 3.38Å; D295-K299 WeakPolarHBondContact O-CB 3.18Å; D295-K299 VanDerWaalsContact O-CG 3.29Å; D295-K299 WeakPolarHBondContact O-CG 3.38Å; D295-K299 PolarHBondContact O-N 3.02Å; D295-W394 VanDerWaalsContact OD2-CD1 3.22Å; D295-W394 PolarHBondContact OD2-NE1 3.06Å; D295-F399 HydrophobicContact CB-CE2 4.35Å; D295-F399 HydrophobicContact CB-CZ 4.1Å
296	K	82.5	Confident	82.8	Confident	78 Å²	78	56.3 Å²	56.3	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-57.5	-57	172.3	-175.5	-175	171.9	-164.9	0	111.6	A292 Y294 L298 K299 E300 W394	A292-K296 VanDerWaalsContact O-CB 3.25Å; A292-K296 WeakPolarHBondContact O-CB 3.28Å; A292-K296 PolarHBondContact O-N 3.07Å; Y294-K296 VanDerWaalsContact C-N 3.32Å; Y294-K296 PolarHBondContact O-N 3.36Å; K296-L298 PolarHBondContact O-N 3.25Å; K296-K299 PolarHBondContact O-N 2.86Å; K296-K299 VanDerWaalsContact O-N 3.15Å; K296-E300 WeakPolarHBondContact CE-OE1 3.21Å; K296-E300 WeakPolarHBondContact CE-OE2 3.14Å; K296-E300 HydrophobicContact CG-CG 4.34Å; K296-E300 IonicContact NZ-OE1 2.77Å; K296-E300 WeakPolarHBondContact O-CB 3.45Å; K296-E300 WeakPolarHBondContact O-CG 3.31Å; K296-E300 PolarHBondContact O-N 2.93Å; K296-W394 HydrophobicContact CB-CD2 3.7Å; K296-W394 HydrophobicContact CB-CE3 4.11Å; K296-W394 HydrophobicContact CB-CG 4.09Å; K296-W394 HydrophobicContact CB-CH2 4.26Å; K296-W394 HydrophobicContact CB-CZ2 3.91Å; K296-W394 HydrophobicContact CB-CZ3 4.37Å; K296-W394 HydrophobicContact CD-CD2 4.37Å; K296-W394 HydrophobicContact CD-CE3 3.91Å; K296-W394 HydrophobicContact CD-CH2 4.34Å; K296-W394 HydrophobicContact CD-CZ3 3.9Å; K296-W394 HydrophobicContact CG-CD2 3.72Å; K296-W394 HydrophobicContact CG-CE3 3.74Å; K296-W394 HydrophobicContact CG-CG 4.09Å; K296-W394 HydrophobicContact CG-CZ3 4.16Å
297	K	78.1	Confident	82.6	Confident	89 Å²	89	53.4 Å²	53.4	39%	0.387	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-35.7	-180	-170.9	172.4	179.2	-179.1	0	111.5	E249 D293 Y294 S301	E249-K297 IonicContact OE1-NZ 3.53Å; E249-K297 PolarHBondContact OE1-NZ 3.04Å; D293-K297 WeakPolarHBondContact O-CB 3.41Å; D293-K297 PolarHBondContact O-N 3.35Å; Y294-K297 PolarHBondContact O-N 2.84Å; K297-S301 VanDerWaalsContact O-CB 3.28Å; K297-S301 WeakPolarHBondContact O-CB 3.4Å; K297-S301 PolarHBondContact O-N 2.96Å; K297-S301 VanDerWaalsContact O-N 3.09Å; K297-S301 PolarHBondContact O-OG 2.97Å; K297-S301 VanDerWaalsContact O-OG 3.07Å
298	L	74.8	Confident	82.4	Confident	22 Å²	22	57 Å²	57	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-46.7	174.6	178.6	58.8	0	0	0	112.1	Y294 D295 K296 S301 Q302 D332	Y294-L298 WeakPolarHBondContact O-CB 3.27Å; Y294-L298 PolarHBondContact O-N 3.41Å; D295-L298 PolarHBondContact O-N 3.38Å; K296-L298 PolarHBondContact O-N 3.25Å; L298-S301 PolarHBondContact O-OG 3.46Å; L298-Q302 VanDerWaalsContact O-CD 3.27Å; L298-Q302 VanDerWaalsContact O-CG 3.25Å; L298-Q302 WeakPolarHBondContact O-CG 3.26Å; L298-Q302 PolarHBondContact O-NE2 3.17Å; L298-D332 HydrophobicContact CD2-CB 4.35Å
299	K	72.4	Confident	82.3	Confident	33 Å²	33	57 Å²	57	14%	0.143	29%	0.289	C	S	.	.	H	α-helix	trans	-70.6	-41.3	178.8	-71.2	-77.1	-176	173	0	113	D295 K296 S301 Q302 F392 W394	D295-K299 WeakPolarHBondContact O-CB 3.18Å; D295-K299 VanDerWaalsContact O-CG 3.29Å; D295-K299 WeakPolarHBondContact O-CG 3.38Å; D295-K299 PolarHBondContact O-N 3.02Å; K296-K299 PolarHBondContact O-N 2.86Å; K296-K299 VanDerWaalsContact O-N 3.15Å; K299-S301 VanDerWaalsContact C-N 3.3Å; K299-S301 PolarHBondContact O-N 2.87Å; K299-Q302 WeakPolarHBondContact O-CB 3.48Å; K299-Q302 PolarHBondContact O-N 3.46Å; K299-Q302 VanDerWaalsContact O-N 3.15Å; K299-F392 HydrophobicContact CD-CB 4.48Å; K299-W394 HydrophobicContact CB-CB 4.18Å
300	E	73.6	Confident	82.4	Confident	107 Å²	107	56.1 Å²	56.1	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-67.5	-31.2	177.7	-69.8	177.6	163.8	0	0	111.6	K296 Q302	K296-E300 WeakPolarHBondContact CE-OE1 3.21Å; K296-E300 WeakPolarHBondContact CE-OE2 3.14Å; K296-E300 HydrophobicContact CG-CG 4.34Å; K296-E300 IonicContact NZ-OE1 2.77Å; K296-E300 WeakPolarHBondContact O-CB 3.45Å; K296-E300 WeakPolarHBondContact O-CG 3.31Å; K296-E300 PolarHBondContact O-N 2.93Å; E300-Q302 PolarHBondContact O-N 3.3Å
301	S	69.3	Low	82.6	Confident	78 Å²	78	55 Å²	55	55%	0.545	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3.3	172.3	71.4	0	0	0	0	115.5	K297 L298 K299	K297-S301 VanDerWaalsContact O-CB 3.28Å; K297-S301 WeakPolarHBondContact O-CB 3.4Å; K297-S301 PolarHBondContact O-N 2.96Å; K297-S301 VanDerWaalsContact O-N 3.09Å; K297-S301 PolarHBondContact O-OG 2.97Å; K297-S301 VanDerWaalsContact O-OG 3.07Å; L298-S301 PolarHBondContact O-OG 3.46Å; K299-S301 VanDerWaalsContact C-N 3.3Å; K299-S301 PolarHBondContact O-N 2.87Å
302	Q	69.3	Low	82.6	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.014	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.7	-176.9	-74.5	163.6	10.3	0	0	114.6	L298 K299 E300 Q304 M333 F392	L298-Q302 VanDerWaalsContact O-CD 3.27Å; L298-Q302 VanDerWaalsContact O-CG 3.25Å; L298-Q302 WeakPolarHBondContact O-CG 3.26Å; L298-Q302 PolarHBondContact O-NE2 3.17Å; K299-Q302 WeakPolarHBondContact O-CB 3.48Å; K299-Q302 PolarHBondContact O-N 3.46Å; K299-Q302 VanDerWaalsContact O-N 3.15Å; E300-Q302 PolarHBondContact O-N 3.3Å; Q302-Q304 WeakPolarHBondContact O-CG 3.17Å; Q302-Q304 PolarHBondContact O-N 3.21Å; Q302-Q304 PolarHBondContact O-NE2 3.41Å; Q302-M333 HydrophobicContact CB-SD 4.48Å; Q302-M333 HydrophobicContact CG-SD 4.37Å; Q302-M333 PolarHBondContact OE1-SD 3.2Å; Q302-F392 HydrophobicContact CB-CD2 3.53Å; Q302-F392 HydrophobicContact CB-CE2 3.73Å; Q302-F392 HydrophobicContact CB-CG 4.44Å; Q302-F392 WeakPolarHBondContact O-CE2 3.38Å
303	T	76.9	Confident	82.4	Confident	45 Å²	45	61.1 Å²	61.1	28%	0.276	31%	0.305	S	S	.	.			trans	-46.9	131.1	177	-78.2	0	0	0	0	112.2	Q389 V390 D391	T303-Q389 HydrophobicContact CG2-CG 3.76Å; T303-V390 WeakPolarHBondContact CA-O 3.28Å; T303-D391 WeakPolarHBondContact CG2-OD1 3.39Å; T303-D391 PolarHBondContact OG1-OD1 3.21Å
304	Q	79.2	Confident	82.1	Confident	36 Å²	36	57.9 Å²	57.9	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.5	179	-57.8	-61.7	-74.4	0	0	110.1	Q302 I307 L325 Q389 V390	Q302-Q304 WeakPolarHBondContact O-CG 3.17Å; Q302-Q304 PolarHBondContact O-N 3.21Å; Q302-Q304 PolarHBondContact O-NE2 3.41Å; Q304-I307 HydrophobicContact CB-CD1 3.91Å; Q304-I307 HydrophobicContact CB-CG1 4.09Å; Q304-L325 HydrophobicContact CB-CD2 4.18Å; Q304-L325 HydrophobicContact CG-CD2 4.13Å; Q304-Q389 CarbonylContact O-C 3.55Å; Q304-Q389 VanDerWaalsContact O-CA 3.31Å; Q304-Q389 WeakPolarHBondContact O-CA 3.32Å; Q304-V390 PolarHBondContact N-O 2.96Å; Q304-V390 PolarHBondContact O-N 3.22Å
305	D	81.2	Confident	81.7	Confident	76 Å²	76	62.3 Å²	62.3	41%	0.406	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	169.2	174.3	-77.2	-72.4	0	0	0	111.6	I307 K346 Q389	D305-I307 VanDerWaalsContact C-N 3.27Å; D305-I307 PolarHBondContact O-N 3.11Å; D305-K346 IonicContact OD1-NZ 2.8Å; D305-K346 PolarHBondContact OD1-NZ 2.79Å; D305-K346 IonicContact OD2-NZ 3.17Å; D305-Q389 WeakPolarHBondContact OD1-CB 3.36Å; D305-Q389 VanDerWaalsContact OD1-CG 3.25Å; D305-Q389 WeakPolarHBondContact OD1-CG 3.26Å; D305-Q389 PolarHBondContact OD1-NE2 3.06Å; D305-Q389 VanDerWaalsContact OD1-NE2 3.08Å; D305-Q389 PolarHBondContact OD2-NE2 2.88Å
306	N	82.9	Confident	81.3	Confident	130 Å²	130	64.9 Å²	64.9	70%	0.695	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.2	35.5	178.9	-62	-9.8	0	0	0	114.9	F388	N306-F388 PolarHBondContact N-O 2.96Å; N306-F388 VanDerWaalsContact N-O 3.12Å
307	I	87.4	Confident	81.2	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137.8	174.9	-60.5	-55	0	0	0	110.6	Q304 D305 V309 F323 L325 F388 V390	Q304-I307 HydrophobicContact CB-CD1 3.91Å; Q304-I307 HydrophobicContact CB-CG1 4.09Å; D305-I307 VanDerWaalsContact C-N 3.27Å; D305-I307 PolarHBondContact O-N 3.11Å; I307-V309 HydrophobicContact CG2-CG2 4.37Å; I307-F323 HydrophobicContact CG2-CB 3.58Å; I307-F323 HydrophobicContact CG2-CD2 4.17Å; I307-F323 HydrophobicContact CG2-CG 4.01Å; I307-L325 HydrophobicContact CD1-CD2 3.64Å; I307-L325 HydrophobicContact CG1-CD2 4.01Å; I307-F388 HydrophobicContact CB-CB 4.35Å; I307-F388 PolarHBondContact N-O 3.35Å; I307-F388 WeakPolarHBondContact O-CB 3.32Å; I307-F388 PolarHBondContact O-N 2.85Å; I307-F388 VanDerWaalsContact O-N 3.08Å; I307-V390 HydrophobicContact CB-CG2 4.25Å; I307-V390 HydrophobicContact CG1-CB 4.37Å; I307-V390 HydrophobicContact CG1-CG2 3.94Å; I307-V390 HydrophobicContact CG2-CG2 4.1Å
308	T	88.6	Confident	81.4	Confident	76 Å²	76	67.9 Å²	67.9	47%	0.466	35%	0.347	S	S	.	.			trans	-92.8	130.5	169	-54	0	0	0	0	109.8	F323 P385 H386	T308-F323 WeakPolarHBondContact O-CB 3.43Å; T308-P385 CarbonylContact C-O 3.14Å; T308-P385 VanDerWaalsContact CA-O 3.24Å; T308-P385 WeakPolarHBondContact CA-O 3.46Å; T308-P385 WeakPolarHBondContact CG2-O 3.38Å; T308-H386 PolarHBondContact OG1-CD2 2.86Å
309	V	93.1	Very high	82.1	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.012	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.7	-177.4	176.9	0	0	0	0	110.4	I307 W311 A321 Y322 F323 L343 P385 F388	I307-V309 HydrophobicContact CG2-CG2 4.37Å; V309-W311 HydrophobicContact CG1-CD2 3.96Å; V309-W311 HydrophobicContact CG1-CE3 4.42Å; V309-W311 HydrophobicContact CG1-CG 4.32Å; V309-W311 HydrophobicContact CG1-CZ2 4.19Å; V309-A321 HydrophobicContact CG1-CB 3.74Å; V309-Y322 CarbonylContact C-O 3.49Å; V309-Y322 WeakPolarHBondContact CA-O 3.5Å; V309-F323 HydrophobicContact CG2-CB 4.36Å; V309-L343 HydrophobicContact CG2-CD1 4.01Å; V309-L343 HydrophobicContact CG2-CD2 4.26Å; V309-P385 PolarHBondContact N-O 3.2Å; V309-P385 WeakPolarHBondContact O-CA 3.34Å; V309-P385 WeakPolarHBondContact O-CB 3.38Å; V309-F388 HydrophobicContact CB-CD2 3.85Å; V309-F388 HydrophobicContact CB-CE2 3.95Å; V309-F388 HydrophobicContact CB-CG 4.33Å; V309-F388 HydrophobicContact CB-CZ 4.49Å; V309-F388 HydrophobicContact CG2-CB 3.82Å; V309-F388 HydrophobicContact CG2-CD1 4.09Å; V309-F388 HydrophobicContact CG2-CD2 3.49Å; V309-F388 VanDerWaalsContact CG2-CD2 3.49Å; V309-F388 HydrophobicContact CG2-CE2 4.05Å; V309-F388 HydrophobicContact CG2-CG 3.52Å
310	R	93.4	Very high	83.1	Confident	103 Å²	103	68.7 Å²	68.7	39%	0.389	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.7	166.8	177.9	179.6	67.4	76.4	-8	108.7	D312 Y322 E369	R310-D312 IonicContact NH1-OD2 2.72Å; R310-D312 PolarHBondContact NH1-OD2 3.44Å; R310-Y322 PolarHBondContact N-O 3.11Å; R310-Y322 PolarHBondContact O-N 3.09Å; R310-E369 IonicContact CZ-OE1 2.73Å; R310-E369 IonicContact CZ-OE2 3.93Å; R310-E369 IonicContact NE-OE1 3.36Å; R310-E369 PolarHBondContact NE-OE1 3.19Å; R310-E369 VanDerWaalsContact NE-OE1 3.15Å; R310-E369 IonicContact NE-OE2 3.57Å; R310-E369 IonicContact NH2-OE1 3.88Å; R310-E369 IonicContact NH2-OE2 3.06Å; R310-E369 PolarHBondContact NH2-OE2 2.86Å
311	W	93.9	Very high	84	Confident	38 Å²	38	63.6 Å²	63.6	14%	0.144	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	148.6	177.8	-65.5	105.7	0	0	0	112.2	V309 R319 A321 L343 W353 L374 A380 P381 V382 V384 F388	V309-W311 HydrophobicContact CG1-CD2 3.96Å; V309-W311 HydrophobicContact CG1-CE3 4.42Å; V309-W311 HydrophobicContact CG1-CG 4.32Å; V309-W311 HydrophobicContact CG1-CZ2 4.19Å; W311-R319 HydrophobicContact CE3-CG 3.68Å; W311-R319 HydrophobicContact CZ3-CG 3.66Å; W311-A321 HydrophobicContact CE3-CB 3.91Å; W311-A321 HydrophobicContact CH2-CB 4.29Å; W311-A321 HydrophobicContact CZ3-CB 3.69Å; W311-L343 HydrophobicContact CH2-CD2 3.96Å; W311-L343 HydrophobicContact CZ2-CD2 4.41Å; W311-W353 AromaticContact CH2-CH2 3.95Å; W311-W353 HydrophobicContact CH2-CH2 3.95Å; W311-W353 HydrophobicContact CH2-CZ3 4.24Å; W311-L374 HydrophobicContact CH2-CD1 4.08Å; W311-L374 HydrophobicContact CZ3-CD1 3.76Å; W311-L374 HydrophobicContact CZ3-CG 4.44Å; W311-A380 HydrophobicContact CH2-CB 4.17Å; W311-A380 HydrophobicContact CZ3-CB 4.27Å; W311-P381 HydrophobicContact CZ2-CG 4.2Å; W311-P381 PolarHBondContact NE1-O 2.64Å; W311-P381 VanDerWaalsContact NE1-O 3.11Å; W311-V382 HydrophobicContact CB-CB 4.43Å; W311-V382 HydrophobicContact CB-CG1 4.29Å; W311-V382 VanDerWaalsContact CD1-O 3.28Å; W311-V382 HydrophobicContact CD2-CG1 4.07Å; W311-V382 HydrophobicContact CE3-CG1 4.36Å; W311-V382 HydrophobicContact CG-CB 4.2Å; W311-V382 HydrophobicContact CG-CG1 4.06Å; W311-V384 PolarHBondContact NE1-O 2.81Å; W311-F388 AromaticContact CZ2-CE1 3.82Å; W311-F388 HydrophobicContact CZ2-CE1 3.82Å; W311-F388 AromaticContact CZ2-CZ 3.77Å; W311-F388 HydrophobicContact CZ2-CZ 3.77Å; W311-F388 AromaticContact NE1-CZ 3.93Å
312	D	92	Very high	85.1	Confident	61 Å²	61	62.1 Å²	62.1	33%	0.326	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	173.1	-177.9	-153.4	-20.6	0	0	0	110.5	R310 R319 I320 Y322	R310-D312 IonicContact NH1-OD2 2.72Å; R310-D312 PolarHBondContact NH1-OD2 3.44Å; D312-R319 WeakPolarHBondContact O-CD 3.45Å; D312-R319 PolarHBondContact O-NH1 2.83Å; D312-I320 HydrophobicContact CB-CB 4.27Å; D312-I320 PolarHBondContact N-O 3.14Å; D312-I320 PolarHBondContact O-N 3.24Å; D312-I320 VanDerWaalsContact O-N 3.1Å; D312-Y322 HydrophobicContact CB-CD2 3.9Å; D312-Y322 HydrophobicContact CB-CE2 3.55Å; D312-Y322 VanDerWaalsContact OD2-CE2 3.23Å; D312-Y322 WeakPolarHBondContact OD2-CE2 3.4Å
313	L	87	Confident	86.1	Confident	93 Å²	93	62.1 Å²	62.1	49%	0.487	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.2	176	-165.2	76	0	0	0	110.4
314	G	80.3	Confident	86.3	Confident	12 Å²	12	63.1 Å²	63.1	12%	0.124	32%	0.316	C	S	.	.			trans	-65.3	155.7	176.4	0	0	0	0	0	112.4	N316 K317 K318	G314-N316 PolarHBondContact O-N 3.23Å; G314-N316 VanDerWaalsContact O-N 3.08Å; G314-K317 WeakPolarHBondContact O-CA 3.48Å; G314-K317 PolarHBondContact O-N 2.62Å; G314-K318 PolarHBondContact N-O 3.01Å
315	L	78.4	Confident	86.1	Confident	190 Å²	190	62.3 Å²	62.3	100%	0.995	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.3	174.1	-61.4	176.8	0	0	0	112.7	K317	L315-K317 PolarHBondContact O-N 2.72Å
316	N	74.3	Confident	85.2	Confident	85 Å²	85	61.8 Å²	61.8	46%	0.455	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	14.9	171.1	66.1	0.8	0	0	0	114.1	G314 K318 E373	G314-N316 PolarHBondContact O-N 3.23Å; G314-N316 VanDerWaalsContact O-N 3.08Å; N316-K318 PolarHBondContact O-N 2.89Å; N316-K318 VanDerWaalsContact O-N 3.12Å; N316-K318 WeakPolarHBondContact OD1-CB 3.33Å; N316-K318 PolarHBondContact OD1-N 3.4Å; N316-K318 VanDerWaalsContact OD1-N 3.16Å; N316-E373 PolarHBondContact ND2-OE2 3.13Å
317	K	80.3	Confident	84	Confident	152 Å²	152	59.1 Å²	59.1	66%	0.661	30%	0.296	S	S	*	.	S	Bend	trans	59.7	11.6	-176.8	-55.1	177.7	-176.3	171.6	0	115.7	G314 L315	G314-K317 WeakPolarHBondContact O-CA 3.48Å; G314-K317 PolarHBondContact O-N 2.62Å; L315-K317 PolarHBondContact O-N 2.72Å
318	K	81.6	Confident	82	Confident	79 Å²	79	60.3 Å²	60.3	34%	0.343	30%	0.303	S	S	.	.			trans	-86.7	148	176.9	-68.1	-177.6	179.3	-174.8	0	112.4	G314 N316 I320 E373	G314-K318 PolarHBondContact N-O 3.01Å; N316-K318 PolarHBondContact O-N 2.89Å; N316-K318 VanDerWaalsContact O-N 3.12Å; N316-K318 WeakPolarHBondContact OD1-CB 3.33Å; N316-K318 PolarHBondContact OD1-N 3.4Å; N316-K318 VanDerWaalsContact OD1-N 3.16Å; K318-I320 PolarHBondContact O-N 3.16Å; K318-E373 HydrophobicContact CB-CG 3.97Å; K318-E373 HydrophobicContact CD-CG 3.64Å; K318-E373 WeakPolarHBondContact CD-OE1 3.37Å; K318-E373 IonicContact NZ-OE1 2.72Å; K318-E373 PolarHBondContact NZ-OE1 3.02Å
319	R	89.8	Confident	79.8	Confident	59 Å²	59	57.4 Å²	57.4	22%	0.223	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.5	174.8	-174.5	59	59.1	-156.3	12.3	110.1	W311 D312 L374 S377 A380	W311-R319 HydrophobicContact CE3-CG 3.68Å; W311-R319 HydrophobicContact CZ3-CG 3.66Å; D312-R319 WeakPolarHBondContact O-CD 3.45Å; D312-R319 PolarHBondContact O-NH1 2.83Å; R319-L374 HydrophobicContact CB-CD1 4.25Å; R319-L374 HydrophobicContact CG-CD1 3.95Å; R319-L374 PolarHBondContact O-N 2.95Å; R319-S377 PolarHBondContact N-OG 3.27Å; R319-A380 HydrophobicContact CG-CB 4.01Å
320	I	92.5	Very high	77.2	Confident	13 Å²	13	57.6 Å²	57.6	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	138.5	174	-59.5	170.2	0	0	0	108.5	D312 K318 Y322 I360 A371 I372	D312-I320 HydrophobicContact CB-CB 4.27Å; D312-I320 PolarHBondContact N-O 3.14Å; D312-I320 PolarHBondContact O-N 3.24Å; D312-I320 VanDerWaalsContact O-N 3.1Å; K318-I320 PolarHBondContact O-N 3.16Å; I320-Y322 HydrophobicContact CB-CE2 4.24Å; I320-Y322 HydrophobicContact CG2-CD2 3.75Å; I320-Y322 HydrophobicContact CG2-CE2 3.44Å; I320-Y322 VanDerWaalsContact CG2-CE2 3.44Å; I320-I360 HydrophobicContact CD1-CD1 3.87Å; I320-I360 HydrophobicContact CG1-CD1 4.14Å; I320-I360 HydrophobicContact CG2-CD1 4.07Å; I320-A371 HydrophobicContact CG2-CB 4.19Å; I320-I372 WeakPolarHBondContact CA-O 3.36Å
321	A	93.6	Very high	74.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.9	169.9	0	0	0	0	0	109.1	V309 W311 L343 A371 I372	V309-A321 HydrophobicContact CG1-CB 3.74Å; W311-A321 HydrophobicContact CE3-CB 3.91Å; W311-A321 HydrophobicContact CH2-CB 4.29Å; W311-A321 HydrophobicContact CZ3-CB 3.69Å; A321-L343 HydrophobicContact CB-CD2 3.85Å; A321-A371 WeakPolarHBondContact O-CA 3.1Å; A321-I372 HydrophobicContact CB-CD1 4.48Å; A321-I372 HydrophobicContact CB-CG1 3.92Å; A321-I372 PolarHBondContact N-O 2.92Å; A321-I372 PolarHBondContact O-N 3.13Å
322	Y	92.4	Very high	72.3	Confident	47 Å²	47	56.6 Å²	56.6	18%	0.184	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138	170	-67	-99.8	0	0	0	109.6	V309 R310 D312 I320 E369 I370 A371	V309-Y322 CarbonylContact C-O 3.49Å; V309-Y322 WeakPolarHBondContact CA-O 3.5Å; R310-Y322 PolarHBondContact N-O 3.11Å; R310-Y322 PolarHBondContact O-N 3.09Å; D312-Y322 HydrophobicContact CB-CD2 3.9Å; D312-Y322 HydrophobicContact CB-CE2 3.55Å; D312-Y322 VanDerWaalsContact OD2-CE2 3.23Å; D312-Y322 WeakPolarHBondContact OD2-CE2 3.4Å; I320-Y322 HydrophobicContact CB-CE2 4.24Å; I320-Y322 HydrophobicContact CG2-CD2 3.75Å; I320-Y322 HydrophobicContact CG2-CE2 3.44Å; I320-Y322 VanDerWaalsContact CG2-CE2 3.44Å; Y322-E369 VanDerWaalsContact CD1-OE2 3.31Å; Y322-E369 WeakPolarHBondContact CD1-OE2 3.23Å; Y322-I370 CarbonylContact C-O 3.3Å; Y322-I370 VanDerWaalsContact CA-O 3.31Å; Y322-I370 WeakPolarHBondContact CA-O 3.3Å; Y322-A371 HydrophobicContact CD1-CB 3.46Å; Y322-A371 VanDerWaalsContact CD1-CB 3.46Å; Y322-A371 HydrophobicContact CE1-CB 3.48Å; Y322-A371 VanDerWaalsContact CE1-CB 3.48Å; Y322-A371 HydrophobicContact CG-CB 4.07Å
323	F	89.3	Confident	70.4	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.009	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	149.5	173.8	52.2	-91.3	0	0	0	110.8	I307 T308 V309 L325 I341 I370 I372 V390	I307-F323 HydrophobicContact CG2-CB 3.58Å; I307-F323 HydrophobicContact CG2-CD2 4.17Å; I307-F323 HydrophobicContact CG2-CG 4.01Å; T308-F323 WeakPolarHBondContact O-CB 3.43Å; V309-F323 HydrophobicContact CG2-CB 4.36Å; F323-L325 HydrophobicContact CD2-CD2 3.72Å; F323-L325 HydrophobicContact CD2-CG 3.99Å; F323-L325 HydrophobicContact CE2-CD1 4.35Å; F323-L325 HydrophobicContact CE2-CD2 3.8Å; F323-L325 HydrophobicContact CE2-CG 3.93Å; F323-I341 HydrophobicContact CZ-CD1 4.01Å; F323-I341 HydrophobicContact CZ-CG2 4.3Å; F323-I370 HydrophobicContact CD2-CB 4.27Å; F323-I370 HydrophobicContact CE2-CB 3.97Å; F323-I370 HydrophobicContact CE2-CD1 4.2Å; F323-I370 HydrophobicContact CE2-CG2 4.1Å; F323-I370 HydrophobicContact CZ-CB 4.35Å; F323-I370 HydrophobicContact CZ-CG2 4.08Å; F323-I370 PolarHBondContact N-O 3.03Å; F323-I370 WeakPolarHBondContact O-CB 3.43Å; F323-I370 PolarHBondContact O-N 2.93Å; F323-I372 HydrophobicContact CE1-CD1 3.96Å; F323-I372 HydrophobicContact CE1-CG1 4.02Å; F323-I372 HydrophobicContact CE1-CG2 3.96Å; F323-I372 HydrophobicContact CZ-CG2 4Å; F323-V390 HydrophobicContact CD2-CG2 4.11Å; F323-V390 HydrophobicContact CE1-CG2 4.49Å; F323-V390 HydrophobicContact CE2-CG1 4.08Å; F323-V390 HydrophobicContact CE2-CG2 3.85Å; F323-V390 HydrophobicContact CZ-CG1 4.28Å; F323-V390 HydrophobicContact CZ-CG2 4.06Å
324	S	81.5	Confident	69.1	Low	66 Å²	66	55.4 Å²	55.4	46%	0.462	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-98.6	123.3	169.4	-66.2	0	0	0	0	108.7
325	L	74.9	Confident	68.7	Low	19 Å²	19	55.9 Å²	55.9	10%	0.099	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-81	144.1	168.2	-63.3	-177.4	0	0	0	109.8	Q304 I307 F323 K327 M333 I370 V390 F392	Q304-L325 HydrophobicContact CB-CD2 4.18Å; Q304-L325 HydrophobicContact CG-CD2 4.13Å; I307-L325 HydrophobicContact CD1-CD2 3.64Å; I307-L325 HydrophobicContact CG1-CD2 4.01Å; F323-L325 HydrophobicContact CD2-CD2 3.72Å; F323-L325 HydrophobicContact CD2-CG 3.99Å; F323-L325 HydrophobicContact CE2-CD1 4.35Å; F323-L325 HydrophobicContact CE2-CD2 3.8Å; F323-L325 HydrophobicContact CE2-CG 3.93Å; L325-K327 PolarHBondContact O-N 2.92Å; L325-M333 HydrophobicContact CD1-CE 4.36Å; L325-I370 HydrophobicContact CB-CD1 4.34Å; L325-I370 HydrophobicContact CD1-CD1 3.6Å; L325-I370 HydrophobicContact CG-CD1 3.73Å; L325-V390 HydrophobicContact CD1-CG1 4.46Å; L325-V390 HydrophobicContact CD2-CB 4.1Å; L325-V390 HydrophobicContact CD2-CG1 4.09Å; L325-V390 HydrophobicContact CD2-CG2 4.13Å; L325-F392 HydrophobicContact CD1-CE1 4.41Å; L325-F392 HydrophobicContact CD1-CE2 4.38Å; L325-F392 HydrophobicContact CD1-CZ 3.58Å
326	P	61.8	Low	68.4	Low	65 Å²	65	51.9 Å²	51.9	42%	0.422	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-51.8	128.6	166	-24.2	34.2	0	0	0	109.6	T328	P326-T328 VanDerWaalsContact O-CA 3.27Å; P326-T328 WeakPolarHBondContact O-CA 3.25Å; P326-T328 PolarHBondContact O-N 2.81Å; P326-T328 PolarHBondContact O-OG1 2.92Å
327	K	57	Low	68.4	Low	74 Å²	74	51.4 Å²	51.4	32%	0.322	26%	0.258	S	S	.	.			trans	-51.5	101.1	-169.9	-62.3	-168.4	-180	-158.5	0	110.4	L325 D368 S780	L325-K327 PolarHBondContact O-N 2.92Å; K327-D368 WeakPolarHBondContact CE-OD2 3.35Å; K327-D368 IonicContact NZ-OD2 3.46Å; K327-D368 PolarHBondContact NZ-OD2 3.05Å; K327-S780 PolarHBondContact NZ-OG 2.87Å
328	T	46.6	Very low	68.3	Low	30 Å²	30	44.4 Å²	44.4	18%	0.184	23%	0.229	C	C	.	.			trans	-74.3	142.1	-152	-36.4	0	0	0	0	111.1	P326 S330 M333	P326-T328 VanDerWaalsContact O-CA 3.27Å; P326-T328 WeakPolarHBondContact O-CA 3.25Å; P326-T328 PolarHBondContact O-N 2.81Å; P326-T328 PolarHBondContact O-OG1 2.92Å; T328-S330 PolarHBondContact O-N 3.22Å; T328-M333 HydrophobicContact CG2-CE 4.06Å; T328-M333 HydrophobicContact CG2-SD 3.96Å; T328-M333 VanDerWaalsContact OG1-CE 3.31Å; T328-M333 WeakPolarHBondContact OG1-CE 3.37Å
329	D	42.4	Very low	68.4	Low	15 Å²	15	42.9 Å²	42.9	8%	0.08	22%	0.224	C	C	.	.	S	Bend	trans	-76.2	25.4	-153.4	-56.1	-82.6	0	0	0	116.1	K144 S739 T741	K144-D329 VanDerWaalsContact CE-CG 3.42Å; K144-D329 WeakPolarHBondContact CE-OD1 3.14Å; K144-D329 VanDerWaalsContact CE-OD2 3.26Å; K144-D329 WeakPolarHBondContact CE-OD2 3.38Å; K144-D329 IonicContact NZ-OD1 2.65Å; K144-D329 PolarHBondContact NZ-OD1 2.95Å; K144-D329 IonicContact NZ-OD2 2.75Å; K144-D329 PolarHBondContact NZ-OD2 3.45Å; D329-S739 CarbonylContact C-O 3.53Å; D329-S739 VanDerWaalsContact CA-O 3.31Å; D329-S739 WeakPolarHBondContact CA-O 3.29Å; D329-S739 WeakPolarHBondContact CB-O 3.35Å; D329-S739 WeakPolarHBondContact OD1-CA 3.34Å; D329-T741 VanDerWaalsContact C-OG1 3.3Å; D329-T741 WeakPolarHBondContact O-CB 3.5Å; D329-T741 WeakPolarHBondContact O-CG2 3.38Å; D329-T741 PolarHBondContact O-OG1 2.79Å
330	S	39.2	Very low	68.2	Low	7 Å²	7	41.1 Å²	41.1	5%	0.049	22%	0.219	C	C	.	.			trans	-161.8	124.7	-176.5	45.4	0	0	0	0	110.9	T328 D332 M333	T328-S330 PolarHBondContact O-N 3.22Å; S330-D332 VanDerWaalsContact CB-OD2 3.31Å; S330-D332 WeakPolarHBondContact CB-OD2 3.18Å; S330-D332 PolarHBondContact O-N 3.22Å; S330-M333 PolarHBondContact O-N 2.83Å; S330-M333 VanDerWaalsContact O-N 3.15Å
331	G	43.1	Very low	68	Low	34 Å²	34	40.5 Å²	40.5	35%	0.351	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-0.4	169.7	0	0	0	0	0	114.4	M333	G331-M333 VanDerWaalsContact C-N 3.33Å
332	D	40.8	Very low	67.9	Low	85 Å²	85	40.7 Å²	40.7	46%	0.455	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-25.9	173.4	-43.3	-35.7	0	0	0	111.4	L298 S330 R334	L298-D332 HydrophobicContact CD2-CB 4.35Å; S330-D332 VanDerWaalsContact CB-OD2 3.31Å; S330-D332 WeakPolarHBondContact CB-OD2 3.18Å; S330-D332 PolarHBondContact O-N 3.22Å; D332-R334 PolarHBondContact O-N 2.76Å
333	M	50.9	Low	68	Low	31 Å²	31	38.5 Å²	38.5	15%	0.153	21%	0.208	C	C	.	.			trans	-81.7	77.9	179.3	-165.4	-178.4	83.9	0	0	112.1	Q302 L325 T328 S330 G331 L335 F392	Q302-M333 HydrophobicContact CB-SD 4.48Å; Q302-M333 HydrophobicContact CG-SD 4.37Å; Q302-M333 PolarHBondContact OE1-SD 3.2Å; L325-M333 HydrophobicContact CD1-CE 4.36Å; T328-M333 HydrophobicContact CG2-CE 4.06Å; T328-M333 HydrophobicContact CG2-SD 3.96Å; T328-M333 VanDerWaalsContact OG1-CE 3.31Å; T328-M333 WeakPolarHBondContact OG1-CE 3.37Å; S330-M333 PolarHBondContact O-N 2.83Å; S330-M333 VanDerWaalsContact O-N 3.15Å; G331-M333 VanDerWaalsContact C-N 3.33Å; M333-L335 PolarHBondContact O-N 2.65Å; M333-F392 HydrophobicContact CE-CE1 4.33Å; M333-F392 HydrophobicContact CE-CZ 3.88Å; M333-F392 HydrophobicContact SD-CE1 3.88Å; M333-F392 HydrophobicContact SD-CE2 3.92Å; M333-F392 HydrophobicContact SD-CZ 3.43Å; M333-F392 WeakPolarHBondContact SD-CZ 3.23Å
334	R	61.2	Low	68.1	Low	98 Å²	98	42.6 Å²	42.6	37%	0.37	22%	0.224	S	C	.	.			trans	-84.3	95	169.1	-62.3	179.8	-172.3	-166.3	-2.5	109.7	D332 D806	D332-R334 PolarHBondContact O-N 2.76Å; R334-D806 IonicContact CZ-OD2 3.66Å; R334-D806 VanDerWaalsContact NH1-CB 3.34Å; R334-D806 IonicContact NH1-OD2 2.79Å; R334-D806 PolarHBondContact NH1-OD2 2.89Å; R334-D806 IonicContact NH2-OD2 3.61Å; R334-D806 PolarHBondContact NH2-OD2 3.42Å
335	L	70.6	Confident	68.7	Low	23 Å²	23	39.7 Å²	39.7	12%	0.12	20%	0.203	C	C	.	.			trans	-71.1	131.5	167.9	-165.4	69.2	0	0	0	109.3	M333 D339 I341 V359 V362 I370 F392	M333-L335 PolarHBondContact O-N 2.65Å; L335-D339 HydrophobicContact CD1-CB 3.95Å; L335-I341 HydrophobicContact CD1-CD1 4.3Å; L335-I341 HydrophobicContact CD2-CD1 4.34Å; L335-V359 HydrophobicContact CD1-CG2 3.98Å; L335-V359 HydrophobicContact CD2-CG1 3.89Å; L335-V359 HydrophobicContact CD2-CG2 3.87Å; L335-V359 HydrophobicContact CG-CG1 4.17Å; L335-V359 HydrophobicContact CG-CG2 4.01Å; L335-V362 HydrophobicContact CB-CG1 4.45Å; L335-V362 HydrophobicContact CD2-CG1 4.43Å; L335-V362 HydrophobicContact CG-CG1 4.37Å; L335-I370 HydrophobicContact CD2-CD1 3.89Å; L335-I370 HydrophobicContact CD2-CG1 4.49Å; L335-I370 HydrophobicContact CD2-CG2 3.74Å; L335-F392 HydrophobicContact CD1-CD1 4.25Å; L335-F392 HydrophobicContact CD1-CE1 3.97Å
336	M	71.7	Confident	69.4	Low	106 Å²	106	43.7 Å²	43.7	52%	0.522	22%	0.219	S	C	.	.			trans	-110.9	150.1	174.8	-57.2	-160.9	-164.9	0	0	111	G338 D339	M336-G338 PolarHBondContact O-N 3.46Å; M336-D339 PolarHBondContact N-OD2 3.31Å; M336-D339 VanDerWaalsContact O-CB 3.31Å; M336-D339 WeakPolarHBondContact O-CB 3.38Å; M336-D339 VanDerWaalsContact O-CG 3.27Å; M336-D339 PolarHBondContact O-N 2.99Å
337	Q	75.8	Confident	70.6	Confident	75 Å²	75	40.8 Å²	40.8	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	130.2	166.5	-64.3	173.1	-50.3	0	0	109.4	V359 I360 V362 R528 I531	Q337-V359 CarbonylContact C-O 3.54Å; Q337-V359 WeakPolarHBondContact CA-O 3.38Å; Q337-I360 PolarHBondContact NE2-O 3.34Å; Q337-V362 HydrophobicContact CG-CG1 4.18Å; Q337-R528 PolarHBondContact O-NH1 3.16Å; Q337-I531 HydrophobicContact CB-CD1 3.56Å; Q337-I531 HydrophobicContact CB-CG1 4.08Å; Q337-I531 HydrophobicContact CB-CG2 4.39Å; Q337-I531 VanDerWaalsContact O-CD1 3.25Å; Q337-I531 WeakPolarHBondContact O-CD1 3.49Å
338	G	77.8	Confident	72.1	Confident	4 Å²	4	44.8 Å²	44.8	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	2.7	-173.8	0	0	0	0	0	115.5	M336 V359 S527	M336-G338 PolarHBondContact O-N 3.46Å; G338-V359 PolarHBondContact N-O 2.81Å; G338-S527 WeakPolarHBondContact CA-O 3.31Å; G338-S527 WeakPolarHBondContact O-CB 3.44Å; G338-S527 PolarHBondContact O-OG 3.1Å
339	D	82.8	Confident	74	Confident	47 Å²	47	50.5 Å²	50.5	25%	0.251	26%	0.255	S	S	.	.			trans	-64.6	155.5	164.5	-73	-6.9	0	0	0	110.4	L335 M336 H358 V359	L335-D339 HydrophobicContact CD1-CB 3.95Å; M336-D339 PolarHBondContact N-OD2 3.31Å; M336-D339 VanDerWaalsContact O-CB 3.31Å; M336-D339 WeakPolarHBondContact O-CB 3.38Å; M336-D339 VanDerWaalsContact O-CG 3.27Å; M336-D339 PolarHBondContact O-N 2.99Å; D339-H358 WeakPolarHBondContact O-CA 3.43Å; D339-V359 HydrophobicContact CB-CG2 4.03Å; D339-V359 PolarHBondContact O-N 2.67Å
340	E	86.6	Confident	76.3	Confident	22 Å²	22	51.2 Å²	51.2	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.9	176.9	-86.4	170.5	-138.5	0	0	111.5	I356 G357 H358 R375 V393 K395	E340-I356 HydrophobicContact CG-CG2 4.32Å; E340-G357 WeakPolarHBondContact CA-O 3.29Å; E340-H358 VanDerWaalsContact CG-CE1 3.47Å; E340-H358 WeakPolarHBondContact CG-CE1 3.47Å; E340-H358 WeakPolarHBondContact CG-ND1 3.34Å; E340-H358 IonicContact OE1-CE1 2.73Å; E340-H358 PolarHBondContact OE1-CE1 3.29Å; E340-H358 IonicContact OE1-ND1 3.68Å; E340-H358 IonicContact OE1-NE2 3.14Å; E340-R375 IonicContact OE1-CZ 3.41Å; E340-R375 IonicContact OE1-NH2 2.66Å; E340-R375 PolarHBondContact OE1-NH2 2.81Å; E340-R375 IonicContact OE2-CZ 2.83Å; E340-R375 IonicContact OE2-NH2 3.23Å; E340-R375 PolarHBondContact OE2-NH2 2.96Å; E340-V393 HydrophobicContact CB-CB 3.86Å; E340-V393 HydrophobicContact CB-CG1 4.37Å; E340-V393 HydrophobicContact CB-CG2 4.26Å; E340-V393 WeakPolarHBondContact O-CB 3.46Å; E340-V393 PolarHBondContact O-N 3.42Å; E340-K395 VanDerWaalsContact OE1-CE 3.29Å; E340-K395 WeakPolarHBondContact OE1-CE 3.47Å; E340-K395 IonicContact OE1-NZ 2.75Å; E340-K395 PolarHBondContact OE1-NZ 3.1Å; E340-K395 WeakPolarHBondContact OE2-CE 3.29Å; E340-K395 IonicContact OE2-NZ 2.73Å
341	I	88.9	Confident	78.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.2	176.4	-71.6	-177.8	0	0	0	108.2	F323 L335 I356 G357 V359 I372 V390 F392	F323-I341 HydrophobicContact CZ-CD1 4.01Å; F323-I341 HydrophobicContact CZ-CG2 4.3Å; L335-I341 HydrophobicContact CD1-CD1 4.3Å; L335-I341 HydrophobicContact CD2-CD1 4.34Å; I341-I356 WeakPolarHBondContact O-CA 3.3Å; I341-G357 PolarHBondContact N-O 3.11Å; I341-G357 PolarHBondContact O-N 3.44Å; I341-V359 HydrophobicContact CD1-CG2 3.71Å; I341-V359 HydrophobicContact CG1-CG2 4.06Å; I341-I372 HydrophobicContact CB-CD1 4.37Å; I341-I372 HydrophobicContact CB-CG2 4.21Å; I341-I372 HydrophobicContact CD1-CG2 4Å; I341-I372 HydrophobicContact CG2-CD1 4.05Å; I341-V390 HydrophobicContact CG2-CG1 3.77Å; I341-F392 HydrophobicContact CD1-CE1 4.34Å; I341-F392 HydrophobicContact CG1-CD1 4.44Å
342	C	90.8	Very high	81	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.034	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	105.3	171.8	160.9	0	0	0	0	107.9	K354 G355 I356 D391 V393	C342-K354 WeakPolarHBondContact SG-CE 3.42Å; C342-G355 CarbonylContact C-O 3.53Å; C342-G355 WeakPolarHBondContact CA-O 3.34Å; C342-I356 HydrophobicContact CB-CG1 4.44Å; C342-D391 HydrophobicContact CB-CB 3.98Å; C342-D391 PolarHBondContact N-O 2.86Å; C342-D391 PolarHBondContact O-N 3.5Å; C342-V393 HydrophobicContact CB-CG2 3.68Å
343	L	93.4	Very high	83.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.9	175.5	-174.4	69.2	0	0	0	108.5	V309 W311 A321 W353 K354 G355 I372 F388 Q389 V390	V309-L343 HydrophobicContact CG2-CD1 4.01Å; V309-L343 HydrophobicContact CG2-CD2 4.26Å; W311-L343 HydrophobicContact CH2-CD2 3.96Å; W311-L343 HydrophobicContact CZ2-CD2 4.41Å; A321-L343 HydrophobicContact CB-CD2 3.85Å; L343-W353 HydrophobicContact CB-CZ3 4.18Å; L343-W353 HydrophobicContact CD2-CH2 4.41Å; L343-W353 HydrophobicContact CD2-CZ3 4.03Å; L343-W353 HydrophobicContact CG-CZ3 4.04Å; L343-W353 WeakPolarHBondContact O-CZ3 3.39Å; L343-K354 WeakPolarHBondContact O-CA 3.46Å; L343-G355 PolarHBondContact N-O 2.95Å; L343-G355 PolarHBondContact O-N 3.42Å; L343-I372 HydrophobicContact CB-CD1 4.05Å; L343-I372 HydrophobicContact CD2-CD1 4.4Å; L343-F388 HydrophobicContact CD1-CB 3.94Å; L343-F388 HydrophobicContact CD1-CD1 3.99Å; L343-F388 HydrophobicContact CD1-CG 4.26Å; L343-F388 HydrophobicContact CD2-CD1 4.15Å; L343-F388 HydrophobicContact CD2-CE1 4.41Å; L343-F388 HydrophobicContact CG-CD1 3.86Å; L343-Q389 WeakPolarHBondContact CA-O 3.34Å; L343-V390 HydrophobicContact CD1-CG2 3.73Å
344	R	92.9	Very high	85.5	Confident	89 Å²	89	63.8 Å²	63.8	34%	0.336	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.2	175.8	-48.8	-171.6	-165.5	-142.6	9.6	110.7	W353 K354 F388 Q389 D391	R344-W353 CarbonylContact C-O 3.52Å; R344-W353 VanDerWaalsContact CA-O 3.22Å; R344-W353 WeakPolarHBondContact CA-O 3.45Å; R344-K354 HydrophobicContact CG-CB 4.45Å; R344-K354 HydrophobicContact CG-CG 4.23Å; R344-F388 CarbonylContact O-C 3.53Å; R344-F388 WeakPolarHBondContact O-CA 3.48Å; R344-F388 WeakPolarHBondContact O-CB 3.24Å; R344-F388 VanDerWaalsContact O-CD1 3.29Å; R344-F388 WeakPolarHBondContact O-CD1 3.43Å; R344-Q389 HydrophobicContact CB-CB 4.32Å; R344-Q389 PolarHBondContact N-O 2.91Å; R344-Q389 PolarHBondContact O-N 3.42Å; R344-D391 IonicContact CZ-OD2 3.36Å; R344-D391 IonicContact NE-OD2 2.72Å; R344-D391 PolarHBondContact NE-OD2 2.94Å; R344-D391 IonicContact NH2-OD2 2.83Å; R344-D391 PolarHBondContact NH2-OD2 3.17Å
345	Y	93.6	Very high	86.9	Confident	5 Å²	5	59.7 Å²	59.7	2%	0.02	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.7	165.7	-177.8	-105.1	0	0	0	109.3	G347 L349 A350 W353 V384 H386 F388	Y345-G347 VanDerWaalsContact CE1-C 3.48Å; Y345-G347 WeakPolarHBondContact CE1-O 3.37Å; Y345-G347 WeakPolarHBondContact OH-CA 3.16Å; Y345-L349 WeakPolarHBondContact OH-CB 3.01Å; Y345-L349 PolarHBondContact OH-N 3.38Å; Y345-L349 VanDerWaalsContact OH-N 3.14Å; Y345-A350 HydrophobicContact CD1-CB 4.17Å; Y345-A350 HydrophobicContact CE1-CB 3.69Å; Y345-A350 WeakPolarHBondContact CE1-O 3.15Å; Y345-W353 PolarHBondContact N-O 3.05Å; Y345-V384 HydrophobicContact CD2-CG2 3.83Å; Y345-V384 HydrophobicContact CE2-CB 3.92Å; Y345-V384 HydrophobicContact CE2-CG2 3.53Å; Y345-V384 HydrophobicContact CG-CG2 4.48Å; Y345-H386 VanDerWaalsContact CE2-O 3.26Å; Y345-H386 WeakPolarHBondContact CE2-O 3.49Å; Y345-F388 HydrophobicContact CD2-CD1 4.3Å; Y345-F388 HydrophobicContact CD2-CD2 4.31Å; Y345-F388 AromaticContact CD2-CE1 3.96Å; Y345-F388 HydrophobicContact CD2-CE1 3.96Å; Y345-F388 AromaticContact CD2-CE2 3.96Å; Y345-F388 HydrophobicContact CD2-CE2 3.96Å; Y345-F388 HydrophobicContact CD2-CG 4.47Å; Y345-F388 AromaticContact CD2-CZ 3.77Å; Y345-F388 HydrophobicContact CD2-CZ 3.77Å; Y345-F388 HydrophobicContact CE2-CE2 4.49Å; Y345-F388 HydrophobicContact CG-CE1 4.39Å
346	K	90	Very high	87.8	Confident	102 Å²	102	61 Å²	61	44%	0.443	31%	0.313	S	S	.	.			trans	-123.1	-2.7	-175.9	-92	-170.3	177.5	175.9	0	114.1	D305 N387 Q389	D305-K346 IonicContact OD1-NZ 2.8Å; D305-K346 PolarHBondContact OD1-NZ 2.79Å; D305-K346 IonicContact OD2-NZ 3.17Å; K346-N387 PolarHBondContact N-O 2.87Å; K346-Q389 HydrophobicContact CD-CB 4.14Å; K346-Q389 VanDerWaalsContact CE-CD 3.47Å; K346-Q389 VanDerWaalsContact NZ-CD 3.26Å
347	G	85.8	Confident	88.6	Confident	4 Å²	4	56 Å²	56	4%	0.041	29%	0.289	C	S	.	.	S	Bend	trans	-81	176.2	178	0	0	0	0	0	113.4	Y345	Y345-G347 VanDerWaalsContact CE1-C 3.48Å; Y345-G347 WeakPolarHBondContact CE1-O 3.37Å; Y345-G347 WeakPolarHBondContact OH-CA 3.16Å
348	D	89.3	Confident	89.2	Confident	159 Å²	159	53.9 Å²	53.9	85%	0.85	28%	0.279	S	S	*	.	S	Bend	trans	-97.4	-6	-173.6	-42.7	-74.2	0	0	0	113.8	A350	D348-A350 VanDerWaalsContact C-N 3.3Å; D348-A350 PolarHBondContact O-N 3.47Å
349	L	86.6	Confident	89.6	Confident	149 Å²	149	53.8 Å²	53.8	78%	0.78	28%	0.277	S	S	*	.	S	Bend	trans	-81.2	-6.9	-174.4	-56.1	174.5	0	0	0	113.7	Y345 V384	Y345-L349 WeakPolarHBondContact OH-CB 3.01Å; Y345-L349 PolarHBondContact OH-N 3.38Å; Y345-L349 VanDerWaalsContact OH-N 3.14Å; L349-V384 HydrophobicContact CB-CG1 3.9Å
350	A	89.7	Confident	89.7	Confident	30 Å²	30	53.6 Å²	53.6	25%	0.248	28%	0.276	C	S	.	.	S	Bend	trans	-153.4	165.4	178.7	0	0	0	0	0	110.1	Y345 D348 V384	Y345-A350 HydrophobicContact CD1-CB 4.17Å; Y345-A350 HydrophobicContact CE1-CB 3.69Å; Y345-A350 WeakPolarHBondContact CE1-O 3.15Å; D348-A350 VanDerWaalsContact C-N 3.3Å; D348-A350 PolarHBondContact O-N 3.47Å; A350-V384 HydrophobicContact CB-CG1 4.31Å; A350-V384 HydrophobicContact CB-CG2 4.25Å
351	P	90.3	Very high	89.5	Confident	114 Å²	114	54.7 Å²	54.7	74%	0.74	28%	0.28	S	S	*	.			trans	-59.2	144.3	172.9	-23.5	34.7	0	0	0	112.4	W353	P351-W353 PolarHBondContact O-N 2.83Å
352	L	90.8	Very high	89	Confident	143 Å²	143	56.4 Å²	56.4	75%	0.749	29%	0.291	S	S	*	.			trans	-54.6	123.5	174.2	-67.4	175.8	0	0	0	110.5
353	W	93.4	Very high	88.1	Confident	45 Å²	45	58.2 Å²	58.2	17%	0.17	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.6	-172.6	175.3	90.4	0	0	0	112.1	W311 L343 R344 Y345 P351 G355 L374 G379 A380 P381 F388	W311-W353 AromaticContact CH2-CH2 3.95Å; W311-W353 HydrophobicContact CH2-CH2 3.95Å; W311-W353 HydrophobicContact CH2-CZ3 4.24Å; L343-W353 HydrophobicContact CB-CZ3 4.18Å; L343-W353 HydrophobicContact CD2-CH2 4.41Å; L343-W353 HydrophobicContact CD2-CZ3 4.03Å; L343-W353 HydrophobicContact CG-CZ3 4.04Å; L343-W353 WeakPolarHBondContact O-CZ3 3.39Å; R344-W353 CarbonylContact C-O 3.52Å; R344-W353 VanDerWaalsContact CA-O 3.22Å; R344-W353 WeakPolarHBondContact CA-O 3.45Å; Y345-W353 PolarHBondContact N-O 3.05Å; P351-W353 PolarHBondContact O-N 2.83Å; W353-G355 VanDerWaalsContact CH2-CA 3.47Å; W353-L374 HydrophobicContact CH2-CD1 3.76Å; W353-L374 HydrophobicContact CH2-CD2 4.2Å; W353-L374 HydrophobicContact CZ2-CD1 3.85Å; W353-G379 PolarHBondContact NE1-O 3.41Å; W353-G379 VanDerWaalsContact NE1-O 3.08Å; W353-A380 HydrophobicContact CZ2-CB 4.11Å; W353-P381 HydrophobicContact CB-CG 4.13Å; W353-P381 HydrophobicContact CD2-CG 3.87Å; W353-P381 HydrophobicContact CE3-CG 3.89Å; W353-P381 HydrophobicContact CG-CG 4Å; W353-F388 HydrophobicContact CE3-CE1 4.46Å; W353-F388 HydrophobicContact CZ3-CE1 4.44Å
354	K	93	Very high	87	Confident	120 Å²	120	60.3 Å²	60.3	52%	0.522	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	122.7	175.6	179.6	-175.2	-174.7	-171.3	0	110.3	C342 L343 R344	C342-K354 WeakPolarHBondContact SG-CE 3.42Å; L343-K354 WeakPolarHBondContact O-CA 3.46Å; R344-K354 HydrophobicContact CG-CB 4.45Å; R344-K354 HydrophobicContact CG-CG 4.23Å
355	G	90.6	Very high	85.7	Confident	11 Å²	11	57 Å²	57	11%	0.113	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	147.8	169.9	0	0	0	0	0	111.9	C342 L343 W353	C342-G355 CarbonylContact C-O 3.53Å; C342-G355 WeakPolarHBondContact CA-O 3.34Å; L343-G355 PolarHBondContact N-O 2.95Å; L343-G355 PolarHBondContact O-N 3.42Å; W353-G355 VanDerWaalsContact CH2-CA 3.47Å
356	I	90.8	Very high	84.2	Confident	52 Å²	52	63.1 Å²	63.1	27%	0.267	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.9	168.1	-65.1	169.4	0	0	0	107.8	E340 I341 C342 R375	E340-I356 HydrophobicContact CG-CG2 4.32Å; I341-I356 WeakPolarHBondContact O-CA 3.3Å; C342-I356 HydrophobicContact CB-CG1 4.44Å; I356-R375 WeakPolarHBondContact O-CB 3.46Å; I356-R375 WeakPolarHBondContact O-CG 3.42Å; I356-R375 PolarHBondContact O-N 3.39Å
357	G	88.6	Confident	82.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	164.6	175.3	0	0	0	0	0	112.9	E340 I341 E373	E340-G357 WeakPolarHBondContact CA-O 3.29Å; I341-G357 PolarHBondContact N-O 3.11Å; I341-G357 PolarHBondContact O-N 3.44Å; G357-E373 CarbonylContact C-O 3.58Å; G357-E373 WeakPolarHBondContact CA-O 3.45Å
358	H	87.4	Confident	82.2	Confident	31 Å²	31	61.7 Å²	61.7	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.3	177.2	-67.6	-84.6	0	0	0	110.1	D339 E340 I360 I372 E373 R375 S527	D339-H358 WeakPolarHBondContact O-CA 3.43Å; E340-H358 VanDerWaalsContact CG-CE1 3.47Å; E340-H358 WeakPolarHBondContact CG-CE1 3.47Å; E340-H358 WeakPolarHBondContact CG-ND1 3.34Å; E340-H358 IonicContact OE1-CE1 2.73Å; E340-H358 PolarHBondContact OE1-CE1 3.29Å; E340-H358 IonicContact OE1-ND1 3.68Å; E340-H358 IonicContact OE1-NE2 3.14Å; H358-I360 PolarHBondContact O-N 3.06Å; H358-I372 CarbonylContact O-C 3.37Å; H358-I372 VanDerWaalsContact O-CA 3.25Å; H358-I372 WeakPolarHBondContact O-CA 3.41Å; H358-E373 PolarHBondContact N-O 2.98Å; H358-E373 PolarHBondContact O-N 3.28Å; H358-R375 PolarHBondContact NE2-NE 3.09Å; H358-S527 WeakPolarHBondContact ND1-CB 3.41Å
359	V	86.9	Confident	81.9	Confident	1 Å²	1	57 Å²	57	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	117.2	179.4	179.5	0	0	0	0	110.4	L335 Q337 G338 D339 I341 K361 V362 I370 I372	L335-V359 HydrophobicContact CD1-CG2 3.98Å; L335-V359 HydrophobicContact CD2-CG1 3.89Å; L335-V359 HydrophobicContact CD2-CG2 3.87Å; L335-V359 HydrophobicContact CG-CG1 4.17Å; L335-V359 HydrophobicContact CG-CG2 4.01Å; Q337-V359 CarbonylContact C-O 3.54Å; Q337-V359 WeakPolarHBondContact CA-O 3.38Å; G338-V359 PolarHBondContact N-O 2.81Å; D339-V359 HydrophobicContact CB-CG2 4.03Å; D339-V359 PolarHBondContact O-N 2.67Å; I341-V359 HydrophobicContact CD1-CG2 3.71Å; I341-V359 HydrophobicContact CG1-CG2 4.06Å; V359-K361 WeakPolarHBondContact CG1-O 3.4Å; V359-V362 HydrophobicContact CG1-CG1 3.76Å; V359-I370 HydrophobicContact CG1-CG2 4.47Å; V359-I372 HydrophobicContact CG2-CG2 4.14Å
360	I	85.3	Confident	81.9	Confident	44 Å²	44	50.1 Å²	50.1	23%	0.226	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-33.8	174.4	59.5	171.7	0	0	0	111.7	I320 Q337 H358 A371 E373	I320-I360 HydrophobicContact CD1-CD1 3.87Å; I320-I360 HydrophobicContact CG1-CD1 4.14Å; I320-I360 HydrophobicContact CG2-CD1 4.07Å; Q337-I360 PolarHBondContact NE2-O 3.34Å; H358-I360 PolarHBondContact O-N 3.06Å; I360-A371 HydrophobicContact CD1-CB 4.35Å; I360-A371 HydrophobicContact CG1-CB 3.9Å; I360-A371 WeakPolarHBondContact CG1-O 3.27Å; I360-A371 PolarHBondContact N-O 3.07Å; I360-E373 HydrophobicContact CD1-CB 4.39Å; I360-E373 HydrophobicContact CG2-CB 3.84Å
361	K	81.8	Confident	81.9	Confident	44 Å²	44	48.7 Å²	48.7	19%	0.191	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.8	172.6	-172.1	-173.2	177.8	-58.9	0	110.6	V359 D364 G367 E369 A371	V359-K361 WeakPolarHBondContact CG1-O 3.4Å; K361-D364 WeakPolarHBondContact CE-OD1 3.14Å; K361-D364 WeakPolarHBondContact CE-OD2 3.41Å; K361-D364 IonicContact NZ-OD1 3.86Å; K361-D364 PolarHBondContact NZ-OD1 2.91Å; K361-D364 IonicContact NZ-OD2 2.8Å; K361-D364 PolarHBondContact NZ-OD2 3.15Å; K361-D364 VanDerWaalsContact NZ-OD2 3.17Å; K361-G367 PolarHBondContact NZ-O 3.44Å; K361-E369 PolarHBondContact NZ-O 2.87Å; K361-A371 HydrophobicContact CB-CB 3.64Å; K361-A371 PolarHBondContact N-O 3.45Å; K361-A371 PolarHBondContact O-N 3.35Å
362	V	78.4	Confident	81.9	Confident	37 Å²	37	43.2 Å²	43.2	22%	0.224	22%	0.217	C	C	.	.			trans	-103.5	163.2	169.6	-65.5	0	0	0	0	110.1	L335 Q337 V359 D364	L335-V362 HydrophobicContact CB-CG1 4.45Å; L335-V362 HydrophobicContact CD2-CG1 4.43Å; L335-V362 HydrophobicContact CG-CG1 4.37Å; Q337-V362 HydrophobicContact CG-CG1 4.18Å; V359-V362 HydrophobicContact CG1-CG1 3.76Å; V362-D364 PolarHBondContact O-N 2.88Å
363	P	71.6	Confident	81.9	Confident	42 Å²	42	37 Å²	37	27%	0.273	18%	0.184	S	C	.	.	S	Bend	trans	-59.6	123.6	174.9	-24.4	36.9	0	0	0	110.7	I370	P363-I370 HydrophobicContact CG-CD1 4.26Å; P363-I370 HydrophobicContact CG-CG1 3.81Å
364	D	69.8	Low	81.7	Confident	44 Å²	44	35 Å²	35	24%	0.235	18%	0.177	C	C	.	.			trans	-140.3	-171.8	-169.3	63.4	15.6	0	0	0	111.3	K361 V362 Y366 G367	K361-D364 WeakPolarHBondContact CE-OD1 3.14Å; K361-D364 WeakPolarHBondContact CE-OD2 3.41Å; K361-D364 IonicContact NZ-OD1 3.86Å; K361-D364 PolarHBondContact NZ-OD1 2.91Å; K361-D364 IonicContact NZ-OD2 2.8Å; K361-D364 PolarHBondContact NZ-OD2 3.15Å; K361-D364 VanDerWaalsContact NZ-OD2 3.17Å; V362-D364 PolarHBondContact O-N 2.88Å; D364-Y366 PolarHBondContact O-N 2.91Å; D364-Y366 WeakPolarHBondContact OD1-CA 3.22Å; D364-Y366 WeakPolarHBondContact OD1-CB 3.47Å; D364-Y366 PolarHBondContact OD1-N 2.65Å; D364-G367 PolarHBondContact N-O 3.36Å; D364-G367 VanDerWaalsContact N-O 3.16Å; D364-G367 PolarHBondContact O-N 3.23Å; D364-G367 PolarHBondContact OD1-N 2.85Å
365	N	65.6	Low	81.2	Confident	21 Å²	21	35.7 Å²	35.7	11%	0.112	18%	0.176	C	C	.	.	S	Bend	trans	-66.2	-18.9	178.4	-65.3	-9.7	0	0	0	114.1	Q787 Q798 V800	N365-Q787 PolarHBondContact O-NE2 2.77Å; N365-Q798 WeakPolarHBondContact CB-O 3.31Å; N365-Q798 PolarHBondContact ND2-O 2.98Å; N365-V800 VanDerWaalsContact ND2-C 3.33Å; N365-V800 PolarHBondContact ND2-O 3.22Å
366	Y	62.4	Low	80.9	Confident	132 Å²	132	37.7 Å²	37.7	52%	0.518	19%	0.189	S	C	.	.	S	Bend	trans	-88.7	-29.3	-178.2	-63	-81.4	0	0	0	111.4	D364 Q798	D364-Y366 PolarHBondContact O-N 2.91Å; D364-Y366 WeakPolarHBondContact OD1-CA 3.22Å; D364-Y366 WeakPolarHBondContact OD1-CB 3.47Å; D364-Y366 PolarHBondContact OD1-N 2.65Å; Y366-Q798 HydrophobicContact CD1-CB 3.68Å; Y366-Q798 HydrophobicContact CD1-CG 4.27Å; Y366-Q798 HydrophobicContact CE1-CB 3.57Å; Y366-Q798 HydrophobicContact CG-CB 4.41Å
367	G	63.8	Low	80.2	Confident	20 Å²	20	37.6 Å²	37.6	21%	0.206	19%	0.192	C	C	.	.			trans	177.5	159.2	167.7	0	0	0	0	0	114.2	K361 D364 E369	K361-G367 PolarHBondContact NZ-O 3.44Å; D364-G367 PolarHBondContact N-O 3.36Å; D364-G367 VanDerWaalsContact N-O 3.16Å; D364-G367 PolarHBondContact O-N 3.23Å; D364-G367 PolarHBondContact OD1-N 2.85Å; G367-E369 PolarHBondContact O-N 3Å
368	D	71	Confident	79.8	Confident	56 Å²	56	41.2 Å²	41.2	30%	0.299	22%	0.223	S	C	.	.	S	Bend	trans	-70.5	-5.5	175.5	-74.7	-34.4	0	0	0	113.1	K327 I370	K327-D368 WeakPolarHBondContact CE-OD2 3.35Å; K327-D368 IonicContact NZ-OD2 3.46Å; K327-D368 PolarHBondContact NZ-OD2 3.05Å; D368-I370 PolarHBondContact O-N 3.28Å
369	E	81.4	Confident	79.5	Confident	61 Å²	61	42.9 Å²	42.9	29%	0.285	25%	0.248	S	C	.	.			trans	-61.2	131.5	173.9	-79.1	-165.8	159.7	0	0	112	R310 Y322 K361 G367	R310-E369 IonicContact CZ-OE1 2.73Å; R310-E369 IonicContact CZ-OE2 3.93Å; R310-E369 IonicContact NE-OE1 3.36Å; R310-E369 PolarHBondContact NE-OE1 3.19Å; R310-E369 VanDerWaalsContact NE-OE1 3.15Å; R310-E369 IonicContact NE-OE2 3.57Å; R310-E369 IonicContact NH2-OE1 3.88Å; R310-E369 IonicContact NH2-OE2 3.06Å; R310-E369 PolarHBondContact NH2-OE2 2.86Å; Y322-E369 VanDerWaalsContact CD1-OE2 3.31Å; Y322-E369 WeakPolarHBondContact CD1-OE2 3.23Å; K361-E369 PolarHBondContact NZ-O 2.87Å; G367-E369 PolarHBondContact O-N 3Å
370	I	87.5	Confident	79.7	Confident	4 Å²	4	43.5 Å²	43.5	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141.6	165.4	-52.1	-176.3	0	0	0	107.7	Y322 F323 L325 L335 V359 P363 D368	Y322-I370 CarbonylContact C-O 3.3Å; Y322-I370 VanDerWaalsContact CA-O 3.31Å; Y322-I370 WeakPolarHBondContact CA-O 3.3Å; F323-I370 HydrophobicContact CD2-CB 4.27Å; F323-I370 HydrophobicContact CE2-CB 3.97Å; F323-I370 HydrophobicContact CE2-CD1 4.2Å; F323-I370 HydrophobicContact CE2-CG2 4.1Å; F323-I370 HydrophobicContact CZ-CB 4.35Å; F323-I370 HydrophobicContact CZ-CG2 4.08Å; F323-I370 PolarHBondContact N-O 3.03Å; F323-I370 WeakPolarHBondContact O-CB 3.43Å; F323-I370 PolarHBondContact O-N 2.93Å; L325-I370 HydrophobicContact CB-CD1 4.34Å; L325-I370 HydrophobicContact CD1-CD1 3.6Å; L325-I370 HydrophobicContact CG-CD1 3.73Å; L335-I370 HydrophobicContact CD2-CD1 3.89Å; L335-I370 HydrophobicContact CD2-CG1 4.49Å; L335-I370 HydrophobicContact CD2-CG2 3.74Å; V359-I370 HydrophobicContact CG1-CG2 4.47Å; P363-I370 HydrophobicContact CG-CD1 4.26Å; P363-I370 HydrophobicContact CG-CG1 3.81Å; D368-I370 PolarHBondContact O-N 3.28Å
371	A	89.4	Confident	80	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	173.3	0	0	0	0	0	111	I320 A321 Y322 I360 K361	I320-A371 HydrophobicContact CG2-CB 4.19Å; A321-A371 WeakPolarHBondContact O-CA 3.1Å; Y322-A371 HydrophobicContact CD1-CB 3.46Å; Y322-A371 VanDerWaalsContact CD1-CB 3.46Å; Y322-A371 HydrophobicContact CE1-CB 3.48Å; Y322-A371 VanDerWaalsContact CE1-CB 3.48Å; Y322-A371 HydrophobicContact CG-CB 4.07Å; I360-A371 HydrophobicContact CD1-CB 4.35Å; I360-A371 HydrophobicContact CG1-CB 3.9Å; I360-A371 WeakPolarHBondContact CG1-O 3.27Å; I360-A371 PolarHBondContact N-O 3.07Å; K361-A371 HydrophobicContact CB-CB 3.64Å; K361-A371 PolarHBondContact N-O 3.45Å; K361-A371 PolarHBondContact O-N 3.35Å
372	I	91.6	Very high	80.5	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.9	173.4	72.1	177.4	0	0	0	111.3	I320 A321 F323 I341 L343 H358 V359 L374	I320-I372 WeakPolarHBondContact CA-O 3.36Å; A321-I372 HydrophobicContact CB-CD1 4.48Å; A321-I372 HydrophobicContact CB-CG1 3.92Å; A321-I372 PolarHBondContact N-O 2.92Å; A321-I372 PolarHBondContact O-N 3.13Å; F323-I372 HydrophobicContact CE1-CD1 3.96Å; F323-I372 HydrophobicContact CE1-CG1 4.02Å; F323-I372 HydrophobicContact CE1-CG2 3.96Å; F323-I372 HydrophobicContact CZ-CG2 4Å; I341-I372 HydrophobicContact CB-CD1 4.37Å; I341-I372 HydrophobicContact CB-CG2 4.21Å; I341-I372 HydrophobicContact CD1-CG2 4Å; I341-I372 HydrophobicContact CG2-CD1 4.05Å; L343-I372 HydrophobicContact CB-CD1 4.05Å; L343-I372 HydrophobicContact CD2-CD1 4.4Å; H358-I372 CarbonylContact O-C 3.37Å; H358-I372 VanDerWaalsContact O-CA 3.25Å; H358-I372 WeakPolarHBondContact O-CA 3.41Å; V359-I372 HydrophobicContact CG2-CG2 4.14Å; I372-L374 HydrophobicContact CD1-CD2 4.17Å; I372-L374 HydrophobicContact CG1-CD2 4.44Å
373	E	89.8	Confident	81	Confident	13 Å²	13	49 Å²	49	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	121.3	167.1	-179.4	-177	101	0	0	108.8	N316 K318 G357 H358 I360	N316-E373 PolarHBondContact ND2-OE2 3.13Å; K318-E373 HydrophobicContact CB-CG 3.97Å; K318-E373 HydrophobicContact CD-CG 3.64Å; K318-E373 WeakPolarHBondContact CD-OE1 3.37Å; K318-E373 IonicContact NZ-OE1 2.72Å; K318-E373 PolarHBondContact NZ-OE1 3.02Å; G357-E373 CarbonylContact C-O 3.58Å; G357-E373 WeakPolarHBondContact CA-O 3.45Å; H358-E373 PolarHBondContact N-O 2.98Å; H358-E373 PolarHBondContact O-N 3.28Å; I360-E373 HydrophobicContact CD1-CB 4.39Å; I360-E373 HydrophobicContact CG2-CB 3.84Å
374	L	89	Confident	81.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	143.3	176.8	-65.2	-172.6	0	0	0	111.7	W311 R319 W353 I372 S376 A380	W311-L374 HydrophobicContact CH2-CD1 4.08Å; W311-L374 HydrophobicContact CZ3-CD1 3.76Å; W311-L374 HydrophobicContact CZ3-CG 4.44Å; R319-L374 HydrophobicContact CB-CD1 4.25Å; R319-L374 HydrophobicContact CG-CD1 3.95Å; R319-L374 PolarHBondContact O-N 2.95Å; W353-L374 HydrophobicContact CH2-CD1 3.76Å; W353-L374 HydrophobicContact CH2-CD2 4.2Å; W353-L374 HydrophobicContact CZ2-CD1 3.85Å; I372-L374 HydrophobicContact CD1-CD2 4.17Å; I372-L374 HydrophobicContact CG1-CD2 4.44Å; L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 WeakPolarHBondContact CB-O 3.48Å; L374-S376 PolarHBondContact O-N 2.84Å; L374-A380 HydrophobicContact CD1-CB 3.92Å
375	R	83.7	Confident	82.8	Confident	134 Å²	134	48.1 Å²	48.1	51%	0.506	28%	0.278	S	S	.	.	S	Bend	trans	-64.3	-31.6	174.5	-76.2	-177.4	172.7	171.6	0.3	113.6	E340 I356 H358	E340-R375 IonicContact OE1-CZ 3.41Å; E340-R375 IonicContact OE1-NH2 2.66Å; E340-R375 PolarHBondContact OE1-NH2 2.81Å; E340-R375 IonicContact OE2-CZ 2.83Å; E340-R375 IonicContact OE2-NH2 3.23Å; E340-R375 PolarHBondContact OE2-NH2 2.96Å; I356-R375 WeakPolarHBondContact O-CB 3.46Å; I356-R375 WeakPolarHBondContact O-CG 3.42Å; I356-R375 PolarHBondContact O-N 3.39Å; H358-R375 PolarHBondContact NE2-NE 3.09Å
376	S	82.4	Confident	84	Confident	54 Å²	54	52.2 Å²	52.2	38%	0.378	30%	0.296	S	S	.	.			trans	-134.8	136.8	171.5	-176.8	0	0	0	0	109.1	L374 A378	L374-S376 VanDerWaalsContact C-N 3.29Å; L374-S376 WeakPolarHBondContact CB-O 3.48Å; L374-S376 PolarHBondContact O-N 2.84Å; S376-A378 VanDerWaalsContact C-N 3.33Å; S376-A378 PolarHBondContact OG-N 2.86Å
377	S	77.5	Confident	85.3	Confident	49 Å²	49	49.4 Å²	49.4	34%	0.343	29%	0.29	S	S	.	.			trans	-82.3	-12.2	176	-58.5	0	0	0	0	112.8	R319	R319-S377 PolarHBondContact N-OG 3.27Å
378	A	79.1	Confident	86.6	Confident	77 Å²	77	48.5 Å²	48.5	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	135.9	-173.4	0	0	0	0	0	112	S376 A380	S376-A378 VanDerWaalsContact C-N 3.33Å; S376-A378 PolarHBondContact OG-N 2.86Å; A378-A380 PolarHBondContact O-N 3.45Å; A378-A380 VanDerWaalsContact O-N 3.14Å
379	G	82.3	Confident	87.5	Confident	66 Å²	66	46.8 Å²	46.8	68%	0.68	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	10.5	177	0	0	0	0	0	115.5	W353	W353-G379 PolarHBondContact NE1-O 3.41Å; W353-G379 VanDerWaalsContact NE1-O 3.08Å
380	A	89.9	Confident	87.8	Confident	14 Å²	14	43.9 Å²	43.9	12%	0.116	26%	0.257	C	S	.	.			trans	-64.7	128.9	174.5	0	0	0	0	0	110.2	W311 R319 W353 L374 A378 V382	W311-A380 HydrophobicContact CH2-CB 4.17Å; W311-A380 HydrophobicContact CZ3-CB 4.27Å; R319-A380 HydrophobicContact CG-CB 4.01Å; W353-A380 HydrophobicContact CZ2-CB 4.11Å; L374-A380 HydrophobicContact CD1-CB 3.92Å; A378-A380 PolarHBondContact O-N 3.45Å; A378-A380 VanDerWaalsContact O-N 3.14Å; A380-V382 VanDerWaalsContact C-N 3.28Å; A380-V382 HydrophobicContact CB-CG1 4.41Å; A380-V382 PolarHBondContact O-N 2.89Å
381	P	92.1	Very high	87.7	Confident	19 Å²	19	44.7 Å²	44.7	12%	0.123	26%	0.261	C	S	.	.			trans	-81.2	73.9	-172.2	33.9	-37.4	0	0	0	110.7	W311 W353 E383 V384 F388	W311-P381 HydrophobicContact CZ2-CG 4.2Å; W311-P381 PolarHBondContact NE1-O 2.64Å; W311-P381 VanDerWaalsContact NE1-O 3.11Å; W353-P381 HydrophobicContact CB-CG 4.13Å; W353-P381 HydrophobicContact CD2-CG 3.87Å; W353-P381 HydrophobicContact CE3-CG 3.89Å; W353-P381 HydrophobicContact CG-CG 4Å; P381-E383 VanDerWaalsContact C-N 3.34Å; P381-E383 PolarHBondContact O-N 3.4Å; P381-V384 HydrophobicContact CB-CG2 3.77Å; P381-V384 HydrophobicContact CG-CG2 4.42Å; P381-V384 WeakPolarHBondContact O-CG2 3.41Å; P381-F388 HydrophobicContact CG-CE1 3.94Å; P381-F388 HydrophobicContact CG-CZ 4.05Å
382	V	91.9	Very high	87.3	Confident	47 Å²	47	45.4 Å²	45.4	29%	0.285	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.7	-172.5	-65.8	0	0	0	0	114.6	W311 A380 V384	W311-V382 HydrophobicContact CB-CB 4.43Å; W311-V382 HydrophobicContact CB-CG1 4.29Å; W311-V382 VanDerWaalsContact CD1-O 3.28Å; W311-V382 HydrophobicContact CD2-CG1 4.07Å; W311-V382 HydrophobicContact CE3-CG1 4.36Å; W311-V382 HydrophobicContact CG-CB 4.2Å; W311-V382 HydrophobicContact CG-CG1 4.06Å; A380-V382 VanDerWaalsContact C-N 3.28Å; A380-V382 HydrophobicContact CB-CG1 4.41Å; A380-V382 PolarHBondContact O-N 2.89Å; V382-V384 VanDerWaalsContact C-N 3.27Å; V382-V384 PolarHBondContact O-N 2.94Å
383	E	89.3	Confident	86.9	Confident	173 Å²	173	47.8 Å²	47.8	81%	0.808	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.7	-178.7	-46.6	-54.7	151.4	0	0	113	P381	P381-E383 VanDerWaalsContact C-N 3.34Å; P381-E383 PolarHBondContact O-N 3.4Å
384	V	90.4	Very high	86.6	Confident	13 Å²	13	50 Å²	50	8%	0.079	29%	0.287	C	S	.	.			trans	-110.5	125.4	-177.7	-69.8	0	0	0	0	110.4	W311 Y345 L349 A350 P381 V382 F388	W311-V384 PolarHBondContact NE1-O 2.81Å; Y345-V384 HydrophobicContact CD2-CG2 3.83Å; Y345-V384 HydrophobicContact CE2-CB 3.92Å; Y345-V384 HydrophobicContact CE2-CG2 3.53Å; Y345-V384 HydrophobicContact CG-CG2 4.48Å; L349-V384 HydrophobicContact CB-CG1 3.9Å; A350-V384 HydrophobicContact CB-CG1 4.31Å; A350-V384 HydrophobicContact CB-CG2 4.25Å; P381-V384 HydrophobicContact CB-CG2 3.77Å; P381-V384 HydrophobicContact CG-CG2 4.42Å; P381-V384 WeakPolarHBondContact O-CG2 3.41Å; V382-V384 VanDerWaalsContact C-N 3.27Å; V382-V384 PolarHBondContact O-N 2.94Å; V384-F388 HydrophobicContact CG2-CZ 4.2Å; V384-F388 VanDerWaalsContact O-CE2 3.24Å; V384-F388 WeakPolarHBondContact O-CE2 3.49Å; V384-F388 WeakPolarHBondContact O-CZ 3.22Å
385	P	89.3	Confident	86.3	Confident	56 Å²	56	53.3 Å²	53.3	36%	0.364	30%	0.301	S	S	.	.			trans	-101.8	-11.9	177.7	34.5	-31.4	0	0	0	114.4	T308 V309	T308-P385 CarbonylContact C-O 3.14Å; T308-P385 VanDerWaalsContact CA-O 3.24Å; T308-P385 WeakPolarHBondContact CA-O 3.46Å; T308-P385 WeakPolarHBondContact CG2-O 3.38Å; V309-P385 PolarHBondContact N-O 3.2Å; V309-P385 WeakPolarHBondContact O-CA 3.34Å; V309-P385 WeakPolarHBondContact O-CB 3.38Å
386	H	90.4	Very high	86.6	Confident	107 Å²	107	48.8 Å²	48.8	50%	0.495	29%	0.29	S	S	.	.	S	Bend	trans	-108.6	171.4	-173.9	-61.2	112.5	0	0	0	113.2	T308 Y345 F388	T308-H386 PolarHBondContact OG1-CD2 2.86Å; Y345-H386 VanDerWaalsContact CE2-O 3.26Å; Y345-H386 WeakPolarHBondContact CE2-O 3.49Å; H386-F388 WeakPolarHBondContact O-CD2 3.25Å; H386-F388 PolarHBondContact O-N 2.98Å
387	N	88.9	Confident	87.1	Confident	73 Å²	73	49.2 Å²	49.2	39%	0.39	29%	0.29	S	S	.	.	S	Bend	trans	57.8	40.7	173.6	-60.2	0.4	0	0	0	114.6	K346	K346-N387 PolarHBondContact N-O 2.87Å
388	F	92.5	Very high	87.8	Confident	1 Å²	1	48.8 Å²	48.8	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	153.3	167	-69.6	-94.5	0	0	0	112.2	N306 I307 V309 W311 L343 R344 Y345 W353 P381 V384 H386	N306-F388 PolarHBondContact N-O 2.96Å; N306-F388 VanDerWaalsContact N-O 3.12Å; I307-F388 HydrophobicContact CB-CB 4.35Å; I307-F388 PolarHBondContact N-O 3.35Å; I307-F388 WeakPolarHBondContact O-CB 3.32Å; I307-F388 PolarHBondContact O-N 2.85Å; I307-F388 VanDerWaalsContact O-N 3.08Å; V309-F388 HydrophobicContact CB-CD2 3.85Å; V309-F388 HydrophobicContact CB-CE2 3.95Å; V309-F388 HydrophobicContact CB-CG 4.33Å; V309-F388 HydrophobicContact CB-CZ 4.49Å; V309-F388 HydrophobicContact CG2-CB 3.82Å; V309-F388 HydrophobicContact CG2-CD1 4.09Å; V309-F388 HydrophobicContact CG2-CD2 3.49Å; V309-F388 VanDerWaalsContact CG2-CD2 3.49Å; V309-F388 HydrophobicContact CG2-CE2 4.05Å; V309-F388 HydrophobicContact CG2-CG 3.52Å; W311-F388 AromaticContact CZ2-CE1 3.82Å; W311-F388 HydrophobicContact CZ2-CE1 3.82Å; W311-F388 AromaticContact CZ2-CZ 3.77Å; W311-F388 HydrophobicContact CZ2-CZ 3.77Å; W311-F388 AromaticContact NE1-CZ 3.93Å; L343-F388 HydrophobicContact CD1-CB 3.94Å; L343-F388 HydrophobicContact CD1-CD1 3.99Å; L343-F388 HydrophobicContact CD1-CG 4.26Å; L343-F388 HydrophobicContact CD2-CD1 4.15Å; L343-F388 HydrophobicContact CD2-CE1 4.41Å; L343-F388 HydrophobicContact CG-CD1 3.86Å; R344-F388 CarbonylContact O-C 3.53Å; R344-F388 WeakPolarHBondContact O-CA 3.48Å; R344-F388 WeakPolarHBondContact O-CB 3.24Å; R344-F388 VanDerWaalsContact O-CD1 3.29Å; R344-F388 WeakPolarHBondContact O-CD1 3.43Å; Y345-F388 HydrophobicContact CD2-CD1 4.3Å; Y345-F388 HydrophobicContact CD2-CD2 4.31Å; Y345-F388 AromaticContact CD2-CE1 3.96Å; Y345-F388 HydrophobicContact CD2-CE1 3.96Å; Y345-F388 AromaticContact CD2-CE2 3.96Å; Y345-F388 HydrophobicContact CD2-CE2 3.96Å; Y345-F388 HydrophobicContact CD2-CG 4.47Å; Y345-F388 AromaticContact CD2-CZ 3.77Å; Y345-F388 HydrophobicContact CD2-CZ 3.77Å; Y345-F388 HydrophobicContact CE2-CE2 4.49Å; Y345-F388 HydrophobicContact CG-CE1 4.39Å; W353-F388 HydrophobicContact CE3-CE1 4.46Å; W353-F388 HydrophobicContact CZ3-CE1 4.44Å; P381-F388 HydrophobicContact CG-CE1 3.94Å; P381-F388 HydrophobicContact CG-CZ 4.05Å; V384-F388 HydrophobicContact CG2-CZ 4.2Å; V384-F388 VanDerWaalsContact O-CE2 3.24Å; V384-F388 WeakPolarHBondContact O-CE2 3.49Å; V384-F388 WeakPolarHBondContact O-CZ 3.22Å; H386-F388 WeakPolarHBondContact O-CD2 3.25Å; H386-F388 PolarHBondContact O-N 2.98Å
389	Q	88.4	Confident	88.5	Confident	20 Å²	20	46.1 Å²	46.1	9%	0.093	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.5	167.2	-178.7	-176.8	48.1	0	0	109.3	T303 Q304 D305 L343 R344 K346	T303-Q389 HydrophobicContact CG2-CG 3.76Å; Q304-Q389 CarbonylContact O-C 3.55Å; Q304-Q389 VanDerWaalsContact O-CA 3.31Å; Q304-Q389 WeakPolarHBondContact O-CA 3.32Å; D305-Q389 WeakPolarHBondContact OD1-CB 3.36Å; D305-Q389 VanDerWaalsContact OD1-CG 3.25Å; D305-Q389 WeakPolarHBondContact OD1-CG 3.26Å; D305-Q389 PolarHBondContact OD1-NE2 3.06Å; D305-Q389 VanDerWaalsContact OD1-NE2 3.08Å; D305-Q389 PolarHBondContact OD2-NE2 2.88Å; L343-Q389 WeakPolarHBondContact CA-O 3.34Å; R344-Q389 HydrophobicContact CB-CB 4.32Å; R344-Q389 PolarHBondContact N-O 2.91Å; R344-Q389 PolarHBondContact O-N 3.42Å; K346-Q389 HydrophobicContact CD-CB 4.14Å; K346-Q389 VanDerWaalsContact CE-CD 3.47Å; K346-Q389 VanDerWaalsContact NZ-CD 3.26Å
390	V	88.5	Confident	89.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.5	176.1	170.8	0	0	0	0	108.9	T303 Q304 I307 F323 L325 I341 L343	T303-V390 WeakPolarHBondContact CA-O 3.28Å; Q304-V390 PolarHBondContact N-O 2.96Å; Q304-V390 PolarHBondContact O-N 3.22Å; I307-V390 HydrophobicContact CB-CG2 4.25Å; I307-V390 HydrophobicContact CG1-CB 4.37Å; I307-V390 HydrophobicContact CG1-CG2 3.94Å; I307-V390 HydrophobicContact CG2-CG2 4.1Å; F323-V390 HydrophobicContact CD2-CG2 4.11Å; F323-V390 HydrophobicContact CE1-CG2 4.49Å; F323-V390 HydrophobicContact CE2-CG1 4.08Å; F323-V390 HydrophobicContact CE2-CG2 3.85Å; F323-V390 HydrophobicContact CZ-CG1 4.28Å; F323-V390 HydrophobicContact CZ-CG2 4.06Å; L325-V390 HydrophobicContact CD1-CG1 4.46Å; L325-V390 HydrophobicContact CD2-CB 4.1Å; L325-V390 HydrophobicContact CD2-CG1 4.09Å; L325-V390 HydrophobicContact CD2-CG2 4.13Å; I341-V390 HydrophobicContact CG2-CG1 3.77Å; L343-V390 HydrophobicContact CD1-CG2 3.73Å
391	D	84.5	Confident	89.5	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.112	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.9	170.3	-63.9	-31.8	0	0	0	110.5	T303 C342 R344	T303-D391 WeakPolarHBondContact CG2-OD1 3.39Å; T303-D391 PolarHBondContact OG1-OD1 3.21Å; C342-D391 HydrophobicContact CB-CB 3.98Å; C342-D391 PolarHBondContact N-O 2.86Å; C342-D391 PolarHBondContact O-N 3.5Å; R344-D391 IonicContact CZ-OD2 3.36Å; R344-D391 IonicContact NE-OD2 2.72Å; R344-D391 PolarHBondContact NE-OD2 2.94Å; R344-D391 IonicContact NH2-OD2 2.83Å; R344-D391 PolarHBondContact NH2-OD2 3.17Å
392	F	82.1	Confident	89.7	Confident	14 Å²	14	48.2 Å²	48.2	6%	0.061	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	120	171.1	-65.3	-86.1	0	0	0	110.1	K299 Q302 L325 M333 L335 I341 W394	K299-F392 HydrophobicContact CD-CB 4.48Å; Q302-F392 HydrophobicContact CB-CD2 3.53Å; Q302-F392 HydrophobicContact CB-CE2 3.73Å; Q302-F392 HydrophobicContact CB-CG 4.44Å; Q302-F392 WeakPolarHBondContact O-CE2 3.38Å; L325-F392 HydrophobicContact CD1-CE1 4.41Å; L325-F392 HydrophobicContact CD1-CE2 4.38Å; L325-F392 HydrophobicContact CD1-CZ 3.58Å; M333-F392 HydrophobicContact CE-CE1 4.33Å; M333-F392 HydrophobicContact CE-CZ 3.88Å; M333-F392 HydrophobicContact SD-CE1 3.88Å; M333-F392 HydrophobicContact SD-CE2 3.92Å; M333-F392 HydrophobicContact SD-CZ 3.43Å; M333-F392 WeakPolarHBondContact SD-CZ 3.23Å; L335-F392 HydrophobicContact CD1-CD1 4.25Å; L335-F392 HydrophobicContact CD1-CE1 3.97Å; I341-F392 HydrophobicContact CD1-CE1 4.34Å; I341-F392 HydrophobicContact CG1-CD1 4.44Å; F392-W394 PolarHBondContact O-N 3.46Å; F392-W394 VanDerWaalsContact O-N 3.09Å
393	V	82.2	Confident	89.9	Confident	51 Å²	51	48.7 Å²	48.7	31%	0.309	25%	0.249	S	C	.	.			trans	-82.2	94.9	-179.3	-174.9	0	0	0	0	109.1	E340 C342	E340-V393 HydrophobicContact CB-CB 3.86Å; E340-V393 HydrophobicContact CB-CG1 4.37Å; E340-V393 HydrophobicContact CB-CG2 4.26Å; E340-V393 WeakPolarHBondContact O-CB 3.46Å; E340-V393 PolarHBondContact O-N 3.42Å; C342-V393 HydrophobicContact CB-CG2 3.68Å
394	W	84	Confident	90.2	Very high	60 Å²	60	43.7 Å²	43.7	23%	0.227	23%	0.233	C	C	.	.			trans	-59.1	147.8	170.4	-176.1	75.7	0	0	0	111.3	A292 D295 K296 K299 F392 S396 F399	A292-W394 HydrophobicContact CB-CZ2 4.34Å; D295-W394 VanDerWaalsContact OD2-CD1 3.22Å; D295-W394 PolarHBondContact OD2-NE1 3.06Å; K296-W394 HydrophobicContact CB-CD2 3.7Å; K296-W394 HydrophobicContact CB-CE3 4.11Å; K296-W394 HydrophobicContact CB-CG 4.09Å; K296-W394 HydrophobicContact CB-CH2 4.26Å; K296-W394 HydrophobicContact CB-CZ2 3.91Å; K296-W394 HydrophobicContact CB-CZ3 4.37Å; K296-W394 HydrophobicContact CD-CD2 4.37Å; K296-W394 HydrophobicContact CD-CE3 3.91Å; K296-W394 HydrophobicContact CD-CH2 4.34Å; K296-W394 HydrophobicContact CD-CZ3 3.9Å; K296-W394 HydrophobicContact CG-CD2 3.72Å; K296-W394 HydrophobicContact CG-CE3 3.74Å; K296-W394 HydrophobicContact CG-CG 4.09Å; K296-W394 HydrophobicContact CG-CZ3 4.16Å; K299-W394 HydrophobicContact CB-CB 4.18Å; F392-W394 PolarHBondContact O-N 3.46Å; F392-W394 VanDerWaalsContact O-N 3.09Å; W394-S396 VanDerWaalsContact CH2-CA 3.47Å; W394-F399 AromaticContact CZ2-CD2 3.92Å; W394-F399 HydrophobicContact CZ2-CD2 3.92Å; W394-F399 HydrophobicContact CZ2-CE2 4.17Å
395	K	83.5	Confident	90.4	Very high	71 Å²	71	43.2 Å²	43.2	31%	0.309	23%	0.231	S	C	.	.			trans	-137.9	120.3	178.4	-69	176.8	179.7	171.3	0	110.4	E340 T397	E340-K395 VanDerWaalsContact OE1-CE 3.29Å; E340-K395 WeakPolarHBondContact OE1-CE 3.47Å; E340-K395 IonicContact OE1-NZ 2.75Å; E340-K395 PolarHBondContact OE1-NZ 3.1Å; E340-K395 WeakPolarHBondContact OE2-CE 3.29Å; E340-K395 IonicContact OE2-NZ 2.73Å; K395-T397 PolarHBondContact O-N 2.85Å; K395-T397 VanDerWaalsContact O-N 3.13Å
396	S	89.9	Confident	90.6	Very high	38 Å²	38	40.5 Å²	40.5	27%	0.266	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.8	171	57.7	0	0	0	0	114.1	W394 S398 F399 D400	W394-S396 VanDerWaalsContact CH2-CA 3.47Å; S396-S398 VanDerWaalsContact C-N 3.27Å; S396-S398 PolarHBondContact O-N 2.91Å; S396-F399 CarbonylContact O-C 3.57Å; S396-F399 WeakPolarHBondContact O-CA 3.38Å; S396-F399 WeakPolarHBondContact O-CB 3.31Å; S396-F399 PolarHBondContact O-N 2.82Å; S396-D400 WeakPolarHBondContact CB-OD1 3.47Å; S396-D400 WeakPolarHBondContact CB-OD2 3.47Å; S396-D400 VanDerWaalsContact O-CG 3.27Å; S396-D400 PolarHBondContact O-N 2.84Å; S396-D400 PolarHBondContact OG-OD1 2.77Å; S396-D400 PolarHBondContact OG-OD2 2.66Å
397	T	91.4	Very high	90.5	Very high	64 Å²	64	41.1 Å²	41.1	39%	0.393	21%	0.214	S	C	.	.	H	α-helix	trans	-55.6	-28.8	-163.1	-50.6	0	0	0	0	116.1	K395 D400 R401	K395-T397 PolarHBondContact O-N 2.85Å; K395-T397 VanDerWaalsContact O-N 3.13Å; T397-D400 WeakPolarHBondContact CA-OD2 3.33Å; T397-D400 PolarHBondContact N-OD2 3.08Å; T397-R401 WeakPolarHBondContact O-CD 3.13Å; T397-R401 WeakPolarHBondContact O-CG 3.5Å; T397-R401 PolarHBondContact O-N 3.01Å
398	S	92.8	Very high	90.4	Very high	39 Å²	39	39.2 Å²	39.2	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-69.3	-52.4	171	41.3	0	0	0	0	111.3	S396 R401 M402	S396-S398 VanDerWaalsContact C-N 3.27Å; S396-S398 PolarHBondContact O-N 2.91Å; S398-R401 PolarHBondContact O-N 3.38Å; S398-M402 WeakPolarHBondContact O-CG 2.83Å; S398-M402 PolarHBondContact O-N 3.27Å
399	F	95.1	Very high	90.4	Very high	21 Å²	21	39.3 Å²	39.3	9%	0.092	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-41.5	178.4	-53.1	-75.7	0	0	0	112.1	V288 E291 A292 D295 W394 S396 R401 M402 Q403	V288-F399 HydrophobicContact CG1-CB 4.3Å; V288-F399 HydrophobicContact CG1-CD1 4.16Å; E291-F399 HydrophobicContact CB-CE1 4.15Å; E291-F399 HydrophobicContact CG-CE1 3.77Å; E291-F399 HydrophobicContact CG-CZ 4.29Å; A292-F399 HydrophobicContact CB-CB 3.77Å; A292-F399 HydrophobicContact CB-CD1 3.63Å; A292-F399 HydrophobicContact CB-CD2 3.78Å; A292-F399 HydrophobicContact CB-CE1 4.15Å; A292-F399 HydrophobicContact CB-CE2 4.27Å; A292-F399 HydrophobicContact CB-CG 3.43Å; A292-F399 VanDerWaalsContact CB-CG 3.43Å; A292-F399 HydrophobicContact CB-CZ 4.43Å; D295-F399 HydrophobicContact CB-CE2 4.35Å; D295-F399 HydrophobicContact CB-CZ 4.1Å; W394-F399 AromaticContact CZ2-CD2 3.92Å; W394-F399 HydrophobicContact CZ2-CD2 3.92Å; W394-F399 HydrophobicContact CZ2-CE2 4.17Å; S396-F399 CarbonylContact O-C 3.57Å; S396-F399 WeakPolarHBondContact O-CA 3.38Å; S396-F399 WeakPolarHBondContact O-CB 3.31Å; S396-F399 PolarHBondContact O-N 2.82Å; F399-R401 VanDerWaalsContact C-N 3.29Å; F399-R401 PolarHBondContact O-N 3.23Å; F399-M402 HydrophobicContact CD1-CE 3.61Å; F399-M402 HydrophobicContact CE1-CE 4.06Å; F399-M402 HydrophobicContact CG-CE 4.3Å; F399-M402 PolarHBondContact O-N 3.17Å; F399-Q403 WeakPolarHBondContact O-CB 3.48Å; F399-Q403 VanDerWaalsContact O-CG 3.3Å; F399-Q403 WeakPolarHBondContact O-CG 3.47Å; F399-Q403 PolarHBondContact O-N 3.34Å
400	D	95.1	Very high	89.7	Confident	84 Å²	84	39 Å²	39	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-56.3	-43.2	174.2	-62.4	-31.5	0	0	0	111.7	S396 T397 S404	S396-D400 WeakPolarHBondContact CB-OD1 3.47Å; S396-D400 WeakPolarHBondContact CB-OD2 3.47Å; S396-D400 VanDerWaalsContact O-CG 3.27Å; S396-D400 PolarHBondContact O-N 2.84Å; S396-D400 PolarHBondContact OG-OD1 2.77Å; S396-D400 PolarHBondContact OG-OD2 2.66Å; T397-D400 WeakPolarHBondContact CA-OD2 3.33Å; T397-D400 PolarHBondContact N-OD2 3.08Å; D400-S404 VanDerWaalsContact O-CB 3.26Å; D400-S404 WeakPolarHBondContact O-CB 3.21Å; D400-S404 PolarHBondContact O-N 2.65Å
401	R	96.8	Very high	89.2	Confident	45 Å²	45	42.9 Å²	42.9	17%	0.17	23%	0.23	C	C	.	.	H	α-helix	trans	-70.5	-38.2	178.9	-72.3	174.5	-173.2	-151.9	-2.6	111.6	T397 S398 F399 A405 V597 G600 D601 V627	T397-R401 WeakPolarHBondContact O-CD 3.13Å; T397-R401 WeakPolarHBondContact O-CG 3.5Å; T397-R401 PolarHBondContact O-N 3.01Å; S398-R401 PolarHBondContact O-N 3.38Å; F399-R401 VanDerWaalsContact C-N 3.29Å; F399-R401 PolarHBondContact O-N 3.23Å; R401-A405 VanDerWaalsContact O-CB 3.32Å; R401-A405 WeakPolarHBondContact O-CB 3.42Å; R401-A405 PolarHBondContact O-N 3.02Å; R401-V597 WeakPolarHBondContact CD-O 3.4Å; R401-V597 PolarHBondContact NH1-O 2.81Å; R401-G600 VanDerWaalsContact CZ-C 3.48Å; R401-G600 PolarHBondContact NE-O 2.89Å; R401-G600 VanDerWaalsContact NE-O 3.14Å; R401-G600 VanDerWaalsContact NH1-C 3.32Å; R401-G600 PolarHBondContact NH1-O 3.06Å; R401-D601 IonicContact NH2-OD2 2.9Å; R401-V627 HydrophobicContact CB-CG1 4.32Å; R401-V627 HydrophobicContact CB-CG2 4.49Å
402	M	97.6	Very high	88.9	Confident	15 Å²	15	44.7 Å²	44.7	7%	0.074	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-49.5	173.1	-70.5	-172.3	-76.6	0	0	111.4	V288 S398 F399 S404 A405 L406 P623 E624 V627	V288-M402 HydrophobicContact CG1-CB 4.02Å; V288-M402 HydrophobicContact CG1-CE 4.37Å; V288-M402 HydrophobicContact CG2-CB 4.5Å; S398-M402 WeakPolarHBondContact O-CG 2.83Å; S398-M402 PolarHBondContact O-N 3.27Å; F399-M402 HydrophobicContact CD1-CE 3.61Å; F399-M402 HydrophobicContact CE1-CE 4.06Å; F399-M402 HydrophobicContact CG-CE 4.3Å; F399-M402 PolarHBondContact O-N 3.17Å; M402-S404 VanDerWaalsContact C-N 3.34Å; M402-S404 PolarHBondContact O-N 3.07Å; M402-A405 PolarHBondContact O-N 2.99Å; M402-A405 VanDerWaalsContact O-N 3.12Å; M402-L406 WeakPolarHBondContact O-CG 3.43Å; M402-L406 PolarHBondContact O-N 3.17Å; M402-P623 HydrophobicContact CB-CB 4.08Å; M402-P623 HydrophobicContact CG-CB 4.26Å; M402-P623 HydrophobicContact SD-CB 4.09Å; M402-E624 HydrophobicContact SD-CB 3.84Å; M402-V627 HydrophobicContact CG-CG2 3.98Å
403	Q	94.8	Very high	88.6	Confident	57 Å²	57	52.9 Å²	52.9	27%	0.266	28%	0.278	S	S	.	.	H	α-helix	trans	-59.3	-42.2	175.5	-66.3	-69.1	4.7	0	0	112.1	G285 V288 F399 A405 L406 K407	G285-Q403 PolarHBondContact O-NE2 3.17Å; V288-Q403 HydrophobicContact CG1-CG 3.98Å; F399-Q403 WeakPolarHBondContact O-CB 3.48Å; F399-Q403 VanDerWaalsContact O-CG 3.3Å; F399-Q403 WeakPolarHBondContact O-CG 3.47Å; F399-Q403 PolarHBondContact O-N 3.34Å; Q403-A405 VanDerWaalsContact C-N 3.34Å; Q403-A405 PolarHBondContact O-N 3.32Å; Q403-L406 PolarHBondContact O-N 3.42Å; Q403-K407 WeakPolarHBondContact O-CB 3.31Å; Q403-K407 PolarHBondContact O-N 2.88Å
404	S	95.2	Very high	88.7	Confident	67 Å²	67	55 Å²	55	47%	0.469	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-36.5	175.4	-168.5	0	0	0	0	112.2	D400 M402 K407 T408	D400-S404 VanDerWaalsContact O-CB 3.26Å; D400-S404 WeakPolarHBondContact O-CB 3.21Å; D400-S404 PolarHBondContact O-N 2.65Å; M402-S404 VanDerWaalsContact C-N 3.34Å; M402-S404 PolarHBondContact O-N 3.07Å; S404-K407 PolarHBondContact O-N 3.39Å; S404-T408 WeakPolarHBondContact O-CB 3.38Å; S404-T408 PolarHBondContact O-N 3.32Å; S404-T408 PolarHBondContact O-OG1 3.02Å; S404-T408 VanDerWaalsContact O-OG1 3.08Å
405	A	96.4	Very high	88.9	Confident	3 Å²	3	52.1 Å²	52.1	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-42.9	177.6	0	0	0	0	0	112.1	R401 M402 Q403 K407 T408 F409 V627 I630	R401-A405 VanDerWaalsContact O-CB 3.32Å; R401-A405 WeakPolarHBondContact O-CB 3.42Å; R401-A405 PolarHBondContact O-N 3.02Å; M402-A405 PolarHBondContact O-N 2.99Å; M402-A405 VanDerWaalsContact O-N 3.12Å; Q403-A405 VanDerWaalsContact C-N 3.34Å; Q403-A405 PolarHBondContact O-N 3.32Å; A405-K407 VanDerWaalsContact C-N 3.32Å; A405-K407 PolarHBondContact O-N 3.41Å; A405-T408 PolarHBondContact O-N 2.73Å; A405-F409 WeakPolarHBondContact O-CB 3.29Å; A405-F409 PolarHBondContact O-N 3.21Å; A405-V627 HydrophobicContact CB-CB 4.39Å; A405-V627 HydrophobicContact CB-CG2 4Å; A405-I630 HydrophobicContact CB-CG1 3.87Å
406	L	91.6	Very high	89.4	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.8	-44.9	171.5	-65	175.8	0	0	0	111.1	Y280 Q281 F284 V288 M402 Q403 F409 A410 P623	Y280-L406 HydrophobicContact CD1-CD2 4.09Å; Y280-L406 HydrophobicContact CE1-CD2 3.54Å; Q281-L406 HydrophobicContact CG-CB 4.15Å; F284-L406 HydrophobicContact CB-CD1 3.71Å; F284-L406 HydrophobicContact CB-CD2 3.92Å; F284-L406 HydrophobicContact CB-CG 4.5Å; V288-L406 HydrophobicContact CG2-CD1 4.29Å; M402-L406 WeakPolarHBondContact O-CG 3.43Å; M402-L406 PolarHBondContact O-N 3.17Å; Q403-L406 PolarHBondContact O-N 3.42Å; L406-F409 PolarHBondContact O-N 2.96Å; L406-A410 PolarHBondContact O-N 2.86Å; L406-P623 HydrophobicContact CD1-CB 4.3Å; L406-P623 HydrophobicContact CD1-CG 4.46Å; L406-P623 HydrophobicContact CD2-CB 4.26Å; L406-P623 HydrophobicContact CD2-CG 4.42Å; L406-P623 HydrophobicContact CG-CB 4.38Å
407	K	88.8	Confident	89.6	Confident	119 Å²	119	48.4 Å²	48.4	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-47	175.7	-177.4	176.1	178.7	175.7	0	112.4	Q403 S404 A405 F409 A410 V411	Q403-K407 WeakPolarHBondContact O-CB 3.31Å; Q403-K407 PolarHBondContact O-N 2.88Å; S404-K407 PolarHBondContact O-N 3.39Å; A405-K407 VanDerWaalsContact C-N 3.32Å; A405-K407 PolarHBondContact O-N 3.41Å; K407-F409 VanDerWaalsContact C-N 3.31Å; K407-F409 PolarHBondContact O-N 3.25Å; K407-A410 PolarHBondContact O-N 2.77Å; K407-A410 VanDerWaalsContact O-N 3.13Å; K407-V411 HydrophobicContact CG-CG1 4.4Å; K407-V411 HydrophobicContact CG-CG2 4.49Å; K407-V411 WeakPolarHBondContact O-CG2 3.45Å; K407-V411 PolarHBondContact O-N 3.11Å
408	T	88.2	Confident	89.4	Confident	34 Å²	34	47.4 Å²	47.4	21%	0.209	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-39.6	178.5	-67.1	0	0	0	0	111.4	S404 A405 A410 V411 D412 I630	S404-T408 WeakPolarHBondContact O-CB 3.38Å; S404-T408 PolarHBondContact O-N 3.32Å; S404-T408 PolarHBondContact O-OG1 3.02Å; S404-T408 VanDerWaalsContact O-OG1 3.08Å; A405-T408 PolarHBondContact O-N 2.73Å; T408-A410 PolarHBondContact O-N 3.31Å; T408-V411 PolarHBondContact O-N 3.32Å; T408-D412 HydrophobicContact CG2-CB 4Å; T408-D412 WeakPolarHBondContact O-CB 3.17Å; T408-D412 PolarHBondContact O-N 3.12Å; T408-I630 HydrophobicContact CG2-CB 4.03Å; T408-I630 HydrophobicContact CG2-CD1 4.23Å; T408-I630 HydrophobicContact CG2-CG1 4.31Å
409	F	90.9	Very high	89.4	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.013	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-31.2	174.7	-177.2	-120.4	0	0	0	113.1	A277 Y280 A405 L406 K407 V416 Y421 L424 L425 M626 I630	A277-F409 HydrophobicContact CB-CD1 3.57Å; A277-F409 HydrophobicContact CB-CE1 3.62Å; A277-F409 HydrophobicContact CB-CG 4.19Å; A277-F409 HydrophobicContact CB-CZ 4.26Å; A277-F409 VanDerWaalsContact CB-O 3.3Å; A277-F409 WeakPolarHBondContact CB-O 3.44Å; Y280-F409 AromaticContact CD1-CD1 3.6Å; Y280-F409 HydrophobicContact CD1-CD1 3.6Å; Y280-F409 AromaticContact CD1-CE1 3.69Å; Y280-F409 HydrophobicContact CD1-CE1 3.69Å; Y280-F409 AromaticContact CE1-CD1 3.78Å; Y280-F409 HydrophobicContact CE1-CD1 3.78Å; Y280-F409 AromaticContact CE1-CE1 3.9Å; Y280-F409 HydrophobicContact CE1-CE1 3.9Å; Y280-F409 HydrophobicContact CG-CD1 4.34Å; Y280-F409 HydrophobicContact CG-CE1 4Å; A405-F409 WeakPolarHBondContact O-CB 3.29Å; A405-F409 PolarHBondContact O-N 3.21Å; L406-F409 PolarHBondContact O-N 2.96Å; K407-F409 VanDerWaalsContact C-N 3.31Å; K407-F409 PolarHBondContact O-N 3.25Å; F409-V416 HydrophobicContact CD2-CG2 4.23Å; F409-V416 HydrophobicContact CE2-CG2 4.03Å; F409-Y421 HydrophobicContact CD2-CD2 4.39Å; F409-Y421 AromaticContact CE2-CD2 3.69Å; F409-Y421 HydrophobicContact CE2-CD2 3.69Å; F409-Y421 HydrophobicContact CE2-CE2 4.23Å; F409-Y421 AromaticContact CZ-CD2 4Å; F409-Y421 HydrophobicContact CZ-CD2 4Å; F409-Y421 HydrophobicContact CZ-CE2 4.27Å; F409-L424 HydrophobicContact CE2-CD1 4.06Å; F409-L424 HydrophobicContact CZ-CB 4.27Å; F409-L424 HydrophobicContact CZ-CD1 4.29Å; F409-L425 HydrophobicContact CE1-CD2 3.91Å; F409-L425 HydrophobicContact CZ-CD2 4.09Å; F409-L425 HydrophobicContact CZ-CG 4.38Å; F409-M626 HydrophobicContact CB-CE 4.08Å; F409-M626 HydrophobicContact CD1-CE 3.94Å; F409-M626 HydrophobicContact CD2-CE 3.47Å; F409-M626 VanDerWaalsContact CD2-CE 3.47Å; F409-M626 HydrophobicContact CE1-CE 4.21Å; F409-M626 HydrophobicContact CE2-CE 3.78Å; F409-M626 HydrophobicContact CG-CE 3.56Å; F409-M626 HydrophobicContact CZ-CE 4.15Å; F409-I630 HydrophobicContact CB-CG2 3.86Å
410	A	74.9	Confident	89.4	Confident	12 Å²	12	46.3 Å²	46.3	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-82.3	-36.1	176.8	0	0	0	0	0	114.5	A277 Y278 Q281 L406 K407 T408	A277-A410 HydrophobicContact CB-CB 4.24Å; Y278-A410 HydrophobicContact CD1-CB 3.97Å; Y278-A410 HydrophobicContact CE1-CB 4.04Å; Y278-A410 VanDerWaalsContact CE2-O 3.32Å; Y278-A410 WeakPolarHBondContact CE2-O 3.15Å; Y278-A410 HydrophobicContact CG-CB 4.23Å; Y278-A410 VanDerWaalsContact CZ-O 3.28Å; Y278-A410 PolarHBondContact OH-O 3.48Å; Q281-A410 HydrophobicContact CB-CB 4.37Å; Q281-A410 VanDerWaalsContact OE1-CB 3.31Å; L406-A410 PolarHBondContact O-N 2.86Å; K407-A410 PolarHBondContact O-N 2.77Å; K407-A410 VanDerWaalsContact O-N 3.13Å; T408-A410 PolarHBondContact O-N 3.31Å
411	V	76.5	Confident	89.3	Confident	82 Å²	82	45 Å²	45	50%	0.497	24%	0.244	S	C	.	.	H	α-helix	trans	-105.9	-11.4	-171.8	-49.5	0	0	0	0	115.6	Y278 K407 T408	Y278-V411 HydrophobicContact CE1-CG1 4.27Å; K407-V411 HydrophobicContact CG-CG1 4.4Å; K407-V411 HydrophobicContact CG-CG2 4.49Å; K407-V411 WeakPolarHBondContact O-CG2 3.45Å; K407-V411 PolarHBondContact O-N 3.11Å; T408-V411 PolarHBondContact O-N 3.32Å
412	D	78.8	Confident	88.9	Confident	59 Å²	59	46.3 Å²	46.3	32%	0.316	25%	0.252	S	S	.	.			trans	-122.8	95.3	-178.3	-177.1	-2.1	0	0	0	111	T408 T414 S415	T408-D412 HydrophobicContact CG2-CB 4Å; T408-D412 WeakPolarHBondContact O-CB 3.17Å; T408-D412 PolarHBondContact O-N 3.12Å; D412-T414 PolarHBondContact O-N 3.3Å; D412-T414 VanDerWaalsContact O-N 3.08Å; D412-T414 WeakPolarHBondContact OD1-CA 3.35Å; D412-T414 WeakPolarHBondContact OD1-CB 2.99Å; D412-T414 PolarHBondContact OD1-N 3Å; D412-T414 PolarHBondContact OD1-OG1 2.84Å; D412-S415 WeakPolarHBondContact O-CB 3.4Å; D412-S415 PolarHBondContact O-N 2.87Å; D412-S415 VanDerWaalsContact O-N 3.07Å; D412-S415 PolarHBondContact O-OG 2.93Å; D412-S415 PolarHBondContact OD1-N 3.43Å
413	E	76.3	Confident	88.7	Confident	186 Å²	186	47.1 Å²	47.1	87%	0.869	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.1	175	-61.8	178.1	-168.8	0	0	113.6
414	T	83.8	Confident	88.6	Confident	95 Å²	95	44.4 Å²	44.4	58%	0.583	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-13	179	76.3	0	0	0	0	113.4	D412 V416	D412-T414 PolarHBondContact O-N 3.3Å; D412-T414 VanDerWaalsContact O-N 3.08Å; D412-T414 WeakPolarHBondContact OD1-CA 3.35Å; D412-T414 WeakPolarHBondContact OD1-CB 2.99Å; D412-T414 PolarHBondContact OD1-N 3Å; D412-T414 PolarHBondContact OD1-OG1 2.84Å; T414-V416 PolarHBondContact O-N 3.2Å
415	S	88.4	Confident	88.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.007	22%	0.22	C	C	.	.	S	Bend	trans	-60.1	-26.6	179.8	67.9	0	0	0	0	113.9	D412 I630 G632 A633	D412-S415 WeakPolarHBondContact O-CB 3.4Å; D412-S415 PolarHBondContact O-N 2.87Å; D412-S415 VanDerWaalsContact O-N 3.07Å; D412-S415 PolarHBondContact O-OG 2.93Å; D412-S415 PolarHBondContact OD1-N 3.43Å; S415-I630 WeakPolarHBondContact CA-O 3.26Å; S415-I630 VanDerWaalsContact CB-O 3.31Å; S415-I630 WeakPolarHBondContact CB-O 3.42Å; S415-I630 CarbonylContact O-C 3.59Å; S415-I630 VanDerWaalsContact O-C 3.3Å; S415-G632 CarbonylContact O-C 3.52Å; S415-G632 WeakPolarHBondContact O-CA 3.41Å; S415-G632 PolarHBondContact O-N 3.14Å; S415-A633 PolarHBondContact O-N 3.19Å
416	V	93.4	Very high	88.2	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.03	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-142.3	157.1	174.8	-67.7	0	0	0	0	110.7	F409 T414 I420 Y421 V629 A633	F409-V416 HydrophobicContact CD2-CG2 4.23Å; F409-V416 HydrophobicContact CE2-CG2 4.03Å; T414-V416 PolarHBondContact O-N 3.2Å; V416-I420 HydrophobicContact CB-CG2 4.27Å; V416-I420 HydrophobicContact CG1-CG2 4.32Å; V416-Y421 HydrophobicContact CG2-CD2 4.12Å; V416-Y421 HydrophobicContact CG2-CG 4.5Å; V416-V629 HydrophobicContact CG1-CG1 3.76Å; V416-A633 HydrophobicContact CG1-CB 4.44Å
417	S	94.1	Very high	88	Confident	26 Å²	26	44.3 Å²	44.3	18%	0.182	24%	0.236	C	C	.	.			trans	-67.8	143.5	166.1	67.1	0	0	0	0	111.6	Y419 I420 Y421 A633	S417-Y419 PolarHBondContact O-N 2.91Å; S417-Y419 VanDerWaalsContact O-N 3.13Å; S417-I420 WeakPolarHBondContact O-CA 3.09Å; S417-I420 WeakPolarHBondContact O-CB 3.38Å; S417-I420 PolarHBondContact O-N 3.06Å; S417-I420 WeakPolarHBondContact OG-CG1 3.45Å; S417-Y421 PolarHBondContact O-N 3.17Å; S417-A633 PolarHBondContact N-O 3.41Å
418	G	87.1	Confident	87.9	Confident	43 Å²	43	46.5 Å²	46.5	44%	0.443	25%	0.248	S	C	.	.	H	α-helix	trans	-54.2	-32.9	179.6	0	0	0	0	0	115	Y421 H422	G418-Y421 WeakPolarHBondContact O-CB 3.46Å; G418-Y421 PolarHBondContact O-N 2.82Å; G418-H422 PolarHBondContact O-CD2 2.75Å; G418-H422 PolarHBondContact O-N 2.96Å
419	Y	93.8	Very high	88.1	Confident	36 Å²	36	47 Å²	47	14%	0.141	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-43.7	171.9	176.2	-87.2	0	0	0	112	S417 K423 V429 E430 V432 P465 L466	S417-Y419 PolarHBondContact O-N 2.91Å; S417-Y419 VanDerWaalsContact O-N 3.13Å; Y419-K423 HydrophobicContact CD1-CG 4.29Å; Y419-K423 HydrophobicContact CE1-CG 3.94Å; Y419-K423 HydrophobicContact CE2-CG 4.24Å; Y419-K423 VanDerWaalsContact CZ-CE 3.41Å; Y419-K423 WeakPolarHBondContact O-CB 3.16Å; Y419-K423 VanDerWaalsContact O-CG 3.27Å; Y419-K423 WeakPolarHBondContact O-CG 3.36Å; Y419-K423 PolarHBondContact O-N 2.92Å; Y419-K423 VanDerWaalsContact O-N 3.07Å; Y419-K423 WeakPolarHBondContact OH-CE 3.34Å; Y419-V429 HydrophobicContact CD2-CG1 3.76Å; Y419-V429 HydrophobicContact CE2-CG1 4.1Å; Y419-E430 WeakPolarHBondContact CE2-O 3.43Å; Y419-V432 HydrophobicContact CD2-CB 3.98Å; Y419-V432 HydrophobicContact CD2-CG2 3.59Å; Y419-V432 HydrophobicContact CE2-CB 3.98Å; Y419-V432 HydrophobicContact CE2-CG2 3.89Å; Y419-V432 HydrophobicContact CG-CG2 4.44Å; Y419-P465 HydrophobicContact CD1-CB 3.6Å; Y419-P465 HydrophobicContact CD1-CG 3.82Å; Y419-P465 HydrophobicContact CE1-CB 3.76Å; Y419-P465 HydrophobicContact CE1-CG 3.81Å; Y419-P465 HydrophobicContact CG-CB 4.45Å; Y419-P465 HydrophobicContact CG-CG 4.34Å; Y419-L466 HydrophobicContact CE1-CB 4.09Å
420	I	94.9	Very high	88.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-43.8	176.7	-70.2	174.9	0	0	0	109.9	V416 S417 H422 K423 L424 A633 L636	V416-I420 HydrophobicContact CB-CG2 4.27Å; V416-I420 HydrophobicContact CG1-CG2 4.32Å; S417-I420 WeakPolarHBondContact O-CA 3.09Å; S417-I420 WeakPolarHBondContact O-CB 3.38Å; S417-I420 PolarHBondContact O-N 3.06Å; S417-I420 WeakPolarHBondContact OG-CG1 3.45Å; I420-H422 PolarHBondContact O-N 3.21Å; I420-K423 PolarHBondContact O-N 2.88Å; I420-L424 HydrophobicContact CG2-CD1 3.6Å; I420-L424 HydrophobicContact CG2-CG 4.01Å; I420-L424 WeakPolarHBondContact O-CB 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.46Å; I420-L424 PolarHBondContact O-N 2.95Å; I420-A633 HydrophobicContact CD1-CB 4.24Å; I420-L636 HydrophobicContact CD1-CB 4Å
421	Y	92.6	Very high	88.8	Confident	56 Å²	56	59.9 Å²	59.9	22%	0.22	31%	0.313	C	S	.	.	H	α-helix	trans	-49.9	-58.2	174.3	-177.9	-94.9	0	0	0	111.8	A277 F409 V416 S417 G418 L424 L425	A277-Y421 HydrophobicContact CB-CE2 3.63Å; A277-Y421 PolarHBondContact N-OH 3.12Å; F409-Y421 HydrophobicContact CD2-CD2 4.39Å; F409-Y421 AromaticContact CE2-CD2 3.69Å; F409-Y421 HydrophobicContact CE2-CD2 3.69Å; F409-Y421 HydrophobicContact CE2-CE2 4.23Å; F409-Y421 AromaticContact CZ-CD2 4Å; F409-Y421 HydrophobicContact CZ-CD2 4Å; F409-Y421 HydrophobicContact CZ-CE2 4.27Å; V416-Y421 HydrophobicContact CG2-CD2 4.12Å; V416-Y421 HydrophobicContact CG2-CG 4.5Å; S417-Y421 PolarHBondContact O-N 3.17Å; G418-Y421 WeakPolarHBondContact O-CB 3.46Å; G418-Y421 PolarHBondContact O-N 2.82Å; Y421-L424 PolarHBondContact O-N 2.83Å; Y421-L425 HydrophobicContact CD1-CD1 3.91Å; Y421-L425 HydrophobicContact CE1-CD1 3.39Å; Y421-L425 HydrophobicContact CE2-CD1 4.3Å; Y421-L425 WeakPolarHBondContact O-CG 3.31Å; Y421-L425 PolarHBondContact O-N 2.9Å
422	H	88.7	Confident	89.5	Confident	74 Å²	74	59.5 Å²	59.5	34%	0.343	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-41.3	-178.3	-69.5	-52.6	0	0	0	113.3	G418 I420 L424 L425 G426 H427 V429	G418-H422 PolarHBondContact O-CD2 2.75Å; G418-H422 PolarHBondContact O-N 2.96Å; I420-H422 PolarHBondContact O-N 3.21Å; H422-L424 VanDerWaalsContact C-N 3.32Å; H422-L424 PolarHBondContact O-N 2.82Å; H422-L425 PolarHBondContact O-N 3.07Å; H422-G426 PolarHBondContact O-N 2.8Å; H422-G426 VanDerWaalsContact O-N 3.17Å; H422-H427 HydrophobicContact CB-CB 4.02Å; H422-H427 AromaticContact ND1-CE1 3.79Å; H422-H427 AromaticContact ND1-ND1 3.17Å; H422-H427 PolarHBondContact ND1-ND1 2.91Å; H422-H427 VanDerWaalsContact ND1-ND1 3.17Å; H422-H427 WeakPolarHBondContact O-CB 3.45Å; H422-H427 PolarHBondContact O-N 3.31Å; H422-V429 HydrophobicContact CB-CG2 3.43Å; H422-V429 VanDerWaalsContact CB-CG2 3.43Å
423	K	92.9	Very high	90.2	Very high	31 Å²	31	61.3 Å²	61.3	14%	0.135	32%	0.324	C	S	.	.	H	α-helix	trans	-66.8	-31.2	175.7	-67.9	-71.7	-157	-175	0	112.3	Y419 I420 G426 V429 D431 L466	Y419-K423 HydrophobicContact CD1-CG 4.29Å; Y419-K423 HydrophobicContact CE1-CG 3.94Å; Y419-K423 HydrophobicContact CE2-CG 4.24Å; Y419-K423 VanDerWaalsContact CZ-CE 3.41Å; Y419-K423 WeakPolarHBondContact O-CB 3.16Å; Y419-K423 VanDerWaalsContact O-CG 3.27Å; Y419-K423 WeakPolarHBondContact O-CG 3.36Å; Y419-K423 PolarHBondContact O-N 2.92Å; Y419-K423 VanDerWaalsContact O-N 3.07Å; Y419-K423 WeakPolarHBondContact OH-CE 3.34Å; I420-K423 PolarHBondContact O-N 2.88Å; K423-G426 PolarHBondContact O-N 3.23Å; K423-V429 HydrophobicContact CD-CB 4.1Å; K423-V429 HydrophobicContact CD-CG2 4.24Å; K423-V429 HydrophobicContact CG-CB 4.48Å; K423-V429 HydrophobicContact CG-CG2 4.37Å; K423-V429 PolarHBondContact NZ-O 2.88Å; K423-D431 IonicContact NZ-OD1 3.13Å; K423-D431 PolarHBondContact NZ-OD1 2.95Å; K423-L466 HydrophobicContact CB-CD2 3.98Å
424	L	94.5	Very high	90.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.9	-42.9	173.3	-72.8	173	0	0	0	111.5	F409 I420 Y421 H422 G426 M626 V629 L663 R666 L667	F409-L424 HydrophobicContact CE2-CD1 4.06Å; F409-L424 HydrophobicContact CZ-CB 4.27Å; F409-L424 HydrophobicContact CZ-CD1 4.29Å; I420-L424 HydrophobicContact CG2-CD1 3.6Å; I420-L424 HydrophobicContact CG2-CG 4.01Å; I420-L424 WeakPolarHBondContact O-CB 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.46Å; I420-L424 PolarHBondContact O-N 2.95Å; Y421-L424 PolarHBondContact O-N 2.83Å; H422-L424 VanDerWaalsContact C-N 3.32Å; H422-L424 PolarHBondContact O-N 2.82Å; L424-G426 PolarHBondContact O-N 2.78Å; L424-M626 HydrophobicContact CD1-CE 4.01Å; L424-M626 HydrophobicContact CD1-SD 4.08Å; L424-V629 HydrophobicContact CD1-CG1 4.18Å; L424-L663 HydrophobicContact CD2-CD1 3.69Å; L424-L663 HydrophobicContact CD2-CD2 4.04Å; L424-L663 HydrophobicContact CD2-CG 4.4Å; L424-R666 VanDerWaalsContact O-CZ 3.31Å; L424-R666 PolarHBondContact O-NH1 3.26Å; L424-R666 PolarHBondContact O-NH2 3.01Å; L424-L667 HydrophobicContact CD2-CD1 4.42Å
425	L	90.6	Very high	91.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.6	174.5	-61.4	177.8	0	0	0	113.6	R273 Y274 Y280 F409 Y421 H422 H427	R273-L425 CarbonylContact C-O 3.56Å; R273-L425 VanDerWaalsContact CA-O 3.31Å; R273-L425 WeakPolarHBondContact CA-O 3.08Å; Y274-L425 PolarHBondContact N-O 2.97Å; Y280-L425 HydrophobicContact CD2-CD2 4.4Å; Y280-L425 HydrophobicContact CG-CD2 4.44Å; F409-L425 HydrophobicContact CE1-CD2 3.91Å; F409-L425 HydrophobicContact CZ-CD2 4.09Å; F409-L425 HydrophobicContact CZ-CG 4.38Å; Y421-L425 HydrophobicContact CD1-CD1 3.91Å; Y421-L425 HydrophobicContact CE1-CD1 3.39Å; Y421-L425 HydrophobicContact CE2-CD1 4.3Å; Y421-L425 WeakPolarHBondContact O-CG 3.31Å; Y421-L425 PolarHBondContact O-N 2.9Å; H422-L425 PolarHBondContact O-N 3.07Å; L425-H427 VanDerWaalsContact C-N 3.34Å; L425-H427 VanDerWaalsContact CB-CD2 3.48Å; L425-H427 WeakPolarHBondContact CB-CD2 3.47Å; L425-H427 WeakPolarHBondContact CB-NE2 3.47Å
426	G	90.8	Very high	91.2	Very high	7 Å²	7	60.6 Å²	60.6	7%	0.072	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	17.2	-179.8	0	0	0	0	0	114.3	R273 H422 K423 L424	R273-G426 WeakPolarHBondContact CG-O 3.38Å; R273-G426 PolarHBondContact NE-O 2.89Å; R273-G426 VanDerWaalsContact NE-O 3.08Å; H422-G426 PolarHBondContact O-N 2.8Å; H422-G426 VanDerWaalsContact O-N 3.17Å; K423-G426 PolarHBondContact O-N 3.23Å; L424-G426 PolarHBondContact O-N 2.78Å
427	H	88.1	Confident	91	Very high	61 Å²	61	69.4 Å²	69.4	28%	0.282	36%	0.355	S	S	.	.			trans	-69.1	155.3	173.8	-63	-162.9	0	0	0	110.5	Y274 E275 H422 L425 V429	Y274-H427 PolarHBondContact O-CD2 2.75Å; Y274-H427 PolarHBondContact O-NE2 3.06Å; E275-H427 PolarHBondContact O-CE1 3.07Å; E275-H427 PolarHBondContact O-NE2 3.15Å; H422-H427 HydrophobicContact CB-CB 4.02Å; H422-H427 AromaticContact ND1-CE1 3.79Å; H422-H427 AromaticContact ND1-ND1 3.17Å; H422-H427 PolarHBondContact ND1-ND1 2.91Å; H422-H427 VanDerWaalsContact ND1-ND1 3.17Å; H422-H427 WeakPolarHBondContact O-CB 3.45Å; H422-H427 PolarHBondContact O-N 3.31Å; L425-H427 VanDerWaalsContact C-N 3.34Å; L425-H427 VanDerWaalsContact CB-CD2 3.48Å; L425-H427 WeakPolarHBondContact CB-CD2 3.47Å; L425-H427 WeakPolarHBondContact CB-NE2 3.47Å; H427-V429 HydrophobicContact CB-CG2 4.47Å
428	E	87.9	Confident	90.9	Very high	166 Å²	166	71.4 Å²	71.4	78%	0.776	36%	0.363	S	S	*	.			trans	-82	127.4	173.5	-62.4	-174.1	-173.6	0	0	109.9	R273	R273-E428 IonicContact CZ-OE1 2.65Å; R273-E428 IonicContact NH2-OE1 2.7Å; R273-E428 PolarHBondContact NH2-OE1 2.87Å
429	V	91.2	Very high	91.2	Very high	44 Å²	44	71 Å²	71	27%	0.267	35%	0.353	S	S	.	.			trans	-146	133.4	-173.7	-168.7	0	0	0	0	108.1	Y419 H422 K423 H427	Y419-V429 HydrophobicContact CD2-CG1 3.76Å; Y419-V429 HydrophobicContact CE2-CG1 4.1Å; H422-V429 HydrophobicContact CB-CG2 3.43Å; H422-V429 VanDerWaalsContact CB-CG2 3.43Å; K423-V429 HydrophobicContact CD-CB 4.1Å; K423-V429 HydrophobicContact CD-CG2 4.24Å; K423-V429 HydrophobicContact CG-CB 4.48Å; K423-V429 HydrophobicContact CG-CG2 4.37Å; K423-V429 PolarHBondContact NZ-O 2.88Å; H427-V429 HydrophobicContact CB-CG2 4.47Å
430	E	90.3	Very high	91	Very high	178 Å²	178	80 Å²	80	83%	0.832	39%	0.393	S	S	*	.			trans	-58.6	141	173	-63.1	-172.2	168.6	0	0	111.8	Y419 V432	Y419-E430 WeakPolarHBondContact CE2-O 3.43Å; E430-V432 PolarHBondContact O-N 2.96Å; E430-V432 VanDerWaalsContact O-N 3.15Å
431	D	89.8	Confident	90.9	Very high	108 Å²	108	87.7 Å²	87.7	58%	0.578	42%	0.421	S	S	*	.			trans	-74.2	106.3	-175.6	-89.2	9.2	0	0	0	112	K423	K423-D431 IonicContact NZ-OD1 3.13Å; K423-D431 PolarHBondContact NZ-OD1 2.95Å
432	V	92.6	Very high	91	Very high	74 Å²	74	86.9 Å²	86.9	45%	0.448	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-77.2	131.9	-180	175.4	0	0	0	0	111.3	Y419 E430 P465	Y419-V432 HydrophobicContact CD2-CB 3.98Å; Y419-V432 HydrophobicContact CD2-CG2 3.59Å; Y419-V432 HydrophobicContact CE2-CB 3.98Å; Y419-V432 HydrophobicContact CE2-CG2 3.89Å; Y419-V432 HydrophobicContact CG-CG2 4.44Å; E430-V432 PolarHBondContact O-N 2.96Å; E430-V432 VanDerWaalsContact O-N 3.15Å; V432-P465 HydrophobicContact CB-CG 4.1Å; V432-P465 HydrophobicContact CG1-CG 4.14Å; V432-P465 WeakPolarHBondContact O-CD 3.29Å
433	V	92.4	Very high	91.3	Very high	97 Å²	97	84.6 Å²	84.6	59%	0.588	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-99.9	121.6	173.4	-178.4	0	0	0	0	110.8	K435 Q463	V433-K435 PolarHBondContact O-N 3.41Å; V433-Q463 WeakPolarHBondContact CA-O 3Å; V433-Q463 HydrophobicContact CG1-CB 4.45Å
434	I	91.9	Very high	91.3	Very high	22 Å²	22	83.2 Å²	83.2	11%	0.113	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-73.4	121.5	172.9	-63.7	-177.8	0	0	0	109.4	C436 Q463 P465 Q635	I434-C436 HydrophobicContact CG2-CB 4.38Å; I434-C436 PolarHBondContact O-N 2.87Å; I434-Q463 PolarHBondContact N-O 2.89Å; I434-P465 HydrophobicContact CD1-CB 4.13Å; I434-P465 HydrophobicContact CD1-CG 4.06Å; I434-P465 HydrophobicContact CG1-CG 3.95Å; I434-Q635 HydrophobicContact CD1-CB 4.19Å; I434-Q635 HydrophobicContact CD1-CG 4.07Å
435	K	89.4	Confident	91.2	Very high	212 Å²	212	90.1 Å²	90.1	92%	0.922	44%	0.437	S	S	*	.			trans	-77.2	97.2	171.1	-65.6	-179.5	-178.3	176.4	0	109.6	V433	V433-K435 PolarHBondContact O-N 3.41Å
436	C	88.7	Confident	91.2	Very high	33 Å²	33	92.5 Å²	92.5	22%	0.223	46%	0.461	C	S	.	.			trans	-121.4	158	174.3	62.6	0	0	0	0	111	I434 L438 L462	I434-C436 HydrophobicContact CG2-CB 4.38Å; I434-C436 PolarHBondContact O-N 2.87Å; C436-L438 PolarHBondContact O-N 3.08Å; C436-L462 PolarHBondContact SG-O 3.14Å
437	Q	88.9	Confident	91.3	Very high	190 Å²	190	93 Å²	93	89%	0.888	46%	0.462	S	S	*	.			trans	-82	113	168.8	-67.4	-171.8	6.7	0	0	108.8
438	L	92.9	Very high	91.6	Very high	68 Å²	68	94 Å²	94	36%	0.356	47%	0.474	S	S	.	.			trans	-69.2	141.1	175.9	-68.3	177.2	0	0	0	110.8	C436 F442 K459 L462 Q463	C436-L438 PolarHBondContact O-N 3.08Å; L438-F442 HydrophobicContact CB-CZ 4.42Å; L438-F442 HydrophobicContact CD2-CE1 4.33Å; L438-F442 HydrophobicContact CD2-CZ 4.45Å; L438-K459 HydrophobicContact CD1-CG 4.22Å; L438-L462 HydrophobicContact CD2-CB 4.28Å; L438-L462 HydrophobicContact CD2-CD1 4.39Å; L438-Q463 HydrophobicContact CD2-CG 4.02Å
439	P	92.3	Very high	92	Very high	35 Å²	35	91.4 Å²	91.4	23%	0.227	47%	0.466	C	S	.	.			trans	-72.3	149.6	-178.4	32.7	-38.3	0	0	0	111.8	R441 F442	P439-R441 VanDerWaalsContact C-N 3.27Å; P439-R441 WeakPolarHBondContact CB-O 3.06Å; P439-R441 PolarHBondContact O-N 2.95Å; P439-F442 HydrophobicContact CG-CD1 3.76Å; P439-F442 HydrophobicContact CG-CE1 3.8Å; P439-F442 HydrophobicContact CG-CG 4.44Å; P439-F442 HydrophobicContact CG-CZ 4.5Å
440	K	90.3	Very high	92.2	Very high	225 Å²	225	90.2 Å²	90.2	98%	0.978	46%	0.458	S	S	*	.	S	Bend	trans	-65.7	-26.6	178.1	-67.1	-174.8	178.7	-178	0	113.8
441	R	93.1	Very high	92.5	Very high	160 Å²	160	82.7 Å²	82.7	60%	0.604	42%	0.423	S	S	*	.			trans	-131.7	135.9	169	-76.4	-174.7	67.8	174.7	-0.1	107.9	P439 D449 H487	P439-R441 VanDerWaalsContact C-N 3.27Å; P439-R441 WeakPolarHBondContact CB-O 3.06Å; P439-R441 PolarHBondContact O-N 2.95Å; R441-D449 IonicContact NH2-OD1 3.6Å; R441-D449 PolarHBondContact NH2-OD1 2.9Å; R441-D449 IonicContact NH2-OD2 3.7Å; R441-D449 PolarHBondContact NH2-OD2 3.3Å; R441-H487 PolarHBondContact O-CE1 3.42Å
442	F	94.6	Very high	92.8	Very high	40 Å²	40	83.1 Å²	83.1	18%	0.175	42%	0.422	C	S	.	.	S	Bend	trans	-82.6	-26.9	177.8	-72.1	-78.5	0	0	0	113	L438 P439 A444 V455 V458 K459 L462 T483 H487	L438-F442 HydrophobicContact CB-CZ 4.42Å; L438-F442 HydrophobicContact CD2-CE1 4.33Å; L438-F442 HydrophobicContact CD2-CZ 4.45Å; P439-F442 HydrophobicContact CG-CD1 3.76Å; P439-F442 HydrophobicContact CG-CE1 3.8Å; P439-F442 HydrophobicContact CG-CG 4.44Å; P439-F442 HydrophobicContact CG-CZ 4.5Å; F442-A444 PolarHBondContact O-N 3.28Å; F442-V455 HydrophobicContact CB-CG1 4.14Å; F442-V455 HydrophobicContact CB-CG2 4.25Å; F442-V455 HydrophobicContact CD2-CG1 3.68Å; F442-V455 HydrophobicContact CE2-CG1 4.36Å; F442-V455 HydrophobicContact CG-CG1 4.01Å; F442-V458 HydrophobicContact CD1-CB 4.27Å; F442-V458 HydrophobicContact CD1-CG1 3.81Å; F442-K459 HydrophobicContact CE1-CB 3.83Å; F442-K459 HydrophobicContact CE1-CG 4.31Å; F442-K459 HydrophobicContact CZ-CB 3.85Å; F442-K459 HydrophobicContact CZ-CD 4.41Å; F442-K459 HydrophobicContact CZ-CG 3.96Å; F442-L462 HydrophobicContact CE1-CD1 4.47Å; F442-T483 WeakPolarHBondContact O-CG2 3.19Å; F442-H487 PolarHBondContact O-NE2 3.2Å
443	T	94.3	Very high	93	Very high	25 Å²	25	80 Å²	80	15%	0.153	40%	0.403	C	S	.	.	S	Bend	trans	-59.7	129	169	-49	0	0	0	0	110.9	D449	T443-D449 VanDerWaalsContact CB-OD1 3.25Å; T443-D449 WeakPolarHBondContact CB-OD1 3.4Å; T443-D449 HydrophobicContact CG2-CB 4.37Å; T443-D449 WeakPolarHBondContact CG2-OD1 3.35Å; T443-D449 PolarHBondContact OG1-OD1 2.88Å
444	A	92.9	Very high	93.2	Very high	3 Å²	3	75.8 Å²	75.8	3%	0.025	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-78.9	153.4	170.6	0	0	0	0	0	111.4	F442 L447 T483 Y486	F442-A444 PolarHBondContact O-N 3.28Å; A444-L447 HydrophobicContact CB-CD1 4.21Å; A444-L447 PolarHBondContact O-N 3.26Å; A444-T483 HydrophobicContact CB-CG2 4.02Å; A444-Y486 HydrophobicContact CB-CD1 3.49Å; A444-Y486 VanDerWaalsContact CB-CD1 3.49Å; A444-Y486 HydrophobicContact CB-CD2 4.19Å; A444-Y486 HydrophobicContact CB-CE1 3.9Å; A444-Y486 HydrophobicContact CB-CG 3.65Å
445	Q	91.4	Very high	93.5	Very high	145 Å²	145	76.8 Å²	76.8	68%	0.678	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	145	172.9	-175.1	169	-16.7	0	0	110.1	L447 S516	Q445-L447 PolarHBondContact O-N 2.62Å; Q445-L447 VanDerWaalsContact O-N 3.13Å; Q445-S516 VanDerWaalsContact O-CA 3.27Å; Q445-S516 WeakPolarHBondContact O-CA 3.5Å; Q445-S516 WeakPolarHBondContact O-CB 3.47Å
446	G	91.4	Very high	93.8	Very high	49 Å²	49	73 Å²	73	51%	0.505	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-6.6	178.7	0	0	0	0	0	116.3
447	L	94	Very high	94.3	Very high	17 Å²	17	71.5 Å²	71.5	9%	0.089	35%	0.354	C	S	.	.	S	Bend	trans	-108.2	157.8	177.2	-68.1	-176.3	0	0	0	112.3	A444 Q445 A482 K512 M515	A444-L447 HydrophobicContact CB-CD1 4.21Å; A444-L447 PolarHBondContact O-N 3.26Å; Q445-L447 PolarHBondContact O-N 2.62Å; Q445-L447 VanDerWaalsContact O-N 3.13Å; L447-A482 HydrophobicContact CD1-CB 3.74Å; L447-K512 HydrophobicContact CD2-CB 4.24Å; L447-M515 HydrophobicContact CD2-CB 4.28Å; L447-M515 HydrophobicContact CD2-SD 4.5Å
448	P	93.7	Very high	94.7	Very high	82 Å²	82	62.4 Å²	62.4	53%	0.532	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-58.4	146.7	175.1	-23.7	34.1	0	0	0	113	L450	P448-L450 PolarHBondContact O-N 3.08Å
449	D	95.2	Very high	94.9	Very high	112 Å²	112	63.7 Å²	63.7	60%	0.599	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-61	133.2	173.3	-91.7	-58.8	0	0	0	111.3	R441 T443	R441-D449 IonicContact NH2-OD1 3.6Å; R441-D449 PolarHBondContact NH2-OD1 2.9Å; R441-D449 IonicContact NH2-OD2 3.7Å; R441-D449 PolarHBondContact NH2-OD2 3.3Å; T443-D449 VanDerWaalsContact CB-OD1 3.25Å; T443-D449 WeakPolarHBondContact CB-OD1 3.4Å; T443-D449 HydrophobicContact CG2-CB 4.37Å; T443-D449 WeakPolarHBondContact CG2-OD1 3.35Å; T443-D449 PolarHBondContact OG1-OD1 2.88Å
450	L	95.8	Very high	95.1	Very high	20 Å²	20	62.8 Å²	62.8	11%	0.105	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-81.7	140.4	-173.2	-64.5	-171.6	0	0	0	112.5	P448 Q454 V455 V458 V479 T483	P448-L450 PolarHBondContact O-N 3.08Å; L450-Q454 HydrophobicContact CB-CB 3.96Å; L450-Q454 HydrophobicContact CD1-CB 4.3Å; L450-Q454 HydrophobicContact CD2-CB 4.12Å; L450-Q454 HydrophobicContact CG-CB 4.36Å; L450-V455 HydrophobicContact CB-CG2 3.64Å; L450-V458 HydrophobicContact CD1-CG2 3.73Å; L450-V479 HydrophobicContact CD2-CG1 4.04Å; L450-T483 HydrophobicContact CD1-CG2 3.78Å
451	N	96.1	Very high	95.4	Very high	19 Å²	19	52.1 Å²	52.1	10%	0.102	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-76.2	169.9	171.6	74.5	47.8	0	0	0	112.7	S453 Q454 V455 Y681	N451-S453 VanDerWaalsContact C-N 3.29Å; N451-S453 PolarHBondContact O-N 3.38Å; N451-S453 PolarHBondContact OD1-N 3.42Å; N451-S453 PolarHBondContact OD1-OG 3.2Å; N451-Q454 VanDerWaalsContact ND2-CD 3.31Å; N451-Q454 PolarHBondContact ND2-OE1 2.69Å; N451-Q454 PolarHBondContact O-N 2.78Å; N451-Q454 VanDerWaalsContact O-N 3.1Å; N451-Q454 PolarHBondContact OD1-N 3.16Å; N451-V455 WeakPolarHBondContact O-CG2 3.38Å; N451-V455 PolarHBondContact O-N 2.61Å; N451-Y681 WeakPolarHBondContact CB-OH 3.44Å; N451-Y681 WeakPolarHBondContact ND2-CE2 3.33Å; N451-Y681 PolarHBondContact ND2-OH 3.36Å
452	H	96.3	Very high	95.6	Very high	118 Å²	118	44.6 Å²	44.6	55%	0.546	23%	0.234	S	C	.	.	H	α-helix	trans	-51.8	-41.3	-177.6	67.6	-91.3	0	0	0	114	Y456	H452-Y456 VanDerWaalsContact O-CB 3.3Å; H452-Y456 WeakPolarHBondContact O-CB 3.33Å; H452-Y456 PolarHBondContact O-N 2.86Å
453	S	96.8	Very high	95.7	Very high	7 Å²	7	45.5 Å²	45.5	5%	0.049	24%	0.239	C	C	.	.	H	α-helix	trans	-72.6	-36.4	-178.9	72	0	0	0	0	112.1	N451 A457 Q678	N451-S453 VanDerWaalsContact C-N 3.29Å; N451-S453 PolarHBondContact O-N 3.38Å; N451-S453 PolarHBondContact OD1-N 3.42Å; N451-S453 PolarHBondContact OD1-OG 3.2Å; S453-A457 WeakPolarHBondContact O-CB 3.48Å; S453-A457 PolarHBondContact O-N 3.39Å; S453-Q678 PolarHBondContact OG-N 2.95Å
454	Q	97.4	Very high	95.8	Very high	10 Å²	10	49 Å²	49	5%	0.047	25%	0.249	C	C	.	.	H	α-helix	trans	-71.3	-42.8	175.4	-64.9	165.9	-21.3	0	0	111.3	L450 N451 Y456 A457 V458 T475 T480 L677	L450-Q454 HydrophobicContact CB-CB 3.96Å; L450-Q454 HydrophobicContact CD1-CB 4.3Å; L450-Q454 HydrophobicContact CD2-CB 4.12Å; L450-Q454 HydrophobicContact CG-CB 4.36Å; N451-Q454 VanDerWaalsContact ND2-CD 3.31Å; N451-Q454 PolarHBondContact ND2-OE1 2.69Å; N451-Q454 PolarHBondContact O-N 2.78Å; N451-Q454 VanDerWaalsContact O-N 3.1Å; N451-Q454 PolarHBondContact OD1-N 3.16Å; Q454-Y456 VanDerWaalsContact C-N 3.35Å; Q454-Y456 PolarHBondContact O-N 2.89Å; Q454-A457 WeakPolarHBondContact O-CB 3.17Å; Q454-A457 PolarHBondContact O-N 2.77Å; Q454-V458 WeakPolarHBondContact O-CG2 3.44Å; Q454-V458 PolarHBondContact O-N 3.36Å; Q454-T475 PolarHBondContact NE2-O 3.07Å; Q454-T480 HydrophobicContact CB-CG2 4.49Å; Q454-L677 HydrophobicContact CG-CD2 4Å
455	V	97.4	Very high	96	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.255	25%	0.25	S	S	.	.	H	α-helix	trans	-60.8	-43.6	173.1	171.5	0	0	0	0	111	F442 L450 N451 A457 V458 K459	F442-V455 HydrophobicContact CB-CG1 4.14Å; F442-V455 HydrophobicContact CB-CG2 4.25Å; F442-V455 HydrophobicContact CD2-CG1 3.68Å; F442-V455 HydrophobicContact CE2-CG1 4.36Å; F442-V455 HydrophobicContact CG-CG1 4.01Å; L450-V455 HydrophobicContact CB-CG2 3.64Å; N451-V455 WeakPolarHBondContact O-CG2 3.38Å; N451-V455 PolarHBondContact O-N 2.61Å; V455-A457 VanDerWaalsContact C-N 3.35Å; V455-A457 PolarHBondContact O-N 2.86Å; V455-V458 PolarHBondContact O-N 3.38Å; V455-K459 VanDerWaalsContact O-CB 3.31Å; V455-K459 WeakPolarHBondContact O-CB 3.34Å; V455-K459 PolarHBondContact O-N 2.82Å
456	Y	97.4	Very high	96.3	Very high	134 Å²	134	42.7 Å²	42.7	53%	0.525	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-42.1	174.7	175.7	-100.2	0	0	0	112.1	H452 Q454 T460 I675	H452-Y456 VanDerWaalsContact O-CB 3.3Å; H452-Y456 WeakPolarHBondContact O-CB 3.33Å; H452-Y456 PolarHBondContact O-N 2.86Å; Q454-Y456 VanDerWaalsContact C-N 3.35Å; Q454-Y456 PolarHBondContact O-N 2.89Å; Y456-T460 VanDerWaalsContact O-CB 3.3Å; Y456-T460 WeakPolarHBondContact O-CB 3.42Å; Y456-T460 PolarHBondContact O-N 3.41Å; Y456-T460 PolarHBondContact O-OG1 3.45Å; Y456-I675 HydrophobicContact CD1-CG2 3.84Å; Y456-I675 HydrophobicContact CE1-CG2 3.94Å
457	A	97.7	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-54.7	175.1	0	0	0	0	0	111.8	S453 Q454 V455 K459 T460 V461 T480 I675 L677	S453-A457 WeakPolarHBondContact O-CB 3.48Å; S453-A457 PolarHBondContact O-N 3.39Å; Q454-A457 WeakPolarHBondContact O-CB 3.17Å; Q454-A457 PolarHBondContact O-N 2.77Å; V455-A457 VanDerWaalsContact C-N 3.35Å; V455-A457 PolarHBondContact O-N 2.86Å; A457-K459 VanDerWaalsContact C-N 3.33Å; A457-K459 PolarHBondContact O-N 3.17Å; A457-T460 PolarHBondContact O-N 3.35Å; A457-V461 VanDerWaalsContact O-CB 3.24Å; A457-V461 WeakPolarHBondContact O-CB 3.28Å; A457-V461 WeakPolarHBondContact O-CG2 3.35Å; A457-V461 PolarHBondContact O-N 3.17Å; A457-T480 HydrophobicContact CB-CG2 4.17Å; A457-I675 HydrophobicContact CB-CG2 3.8Å; A457-L677 HydrophobicContact CB-CD2 3.95Å
458	V	97.6	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-56.2	-47.3	178.6	178.7	0	0	0	0	111	F442 L450 Q454 V455 L462 T480 T483 V484	F442-V458 HydrophobicContact CD1-CB 4.27Å; F442-V458 HydrophobicContact CD1-CG1 3.81Å; L450-V458 HydrophobicContact CD1-CG2 3.73Å; Q454-V458 WeakPolarHBondContact O-CG2 3.44Å; Q454-V458 PolarHBondContact O-N 3.36Å; V455-V458 PolarHBondContact O-N 3.38Å; V458-L462 HydrophobicContact CG1-CD1 3.91Å; V458-L462 HydrophobicContact CG1-CG 4.46Å; V458-L462 VanDerWaalsContact O-CG 3.25Å; V458-L462 WeakPolarHBondContact O-CG 3.14Å; V458-L462 PolarHBondContact O-N 2.96Å; V458-L462 VanDerWaalsContact O-N 3.12Å; V458-T480 HydrophobicContact CG2-CG2 4.02Å; V458-T483 HydrophobicContact CG2-CG2 4.14Å; V458-V484 HydrophobicContact CB-CG2 4.36Å; V458-V484 HydrophobicContact CG1-CG2 4.38Å; V458-V484 HydrophobicContact CG2-CG2 3.94Å
459	K	96.9	Very high	97	Very high	94 Å²	94	36.1 Å²	36.1	41%	0.409	17%	0.169	S	C	.	.	H	α-helix	trans	-57.9	-51.7	178.3	-179.1	-174.9	173.8	-172	0	111.9	L438 F442 V455 A457 Q463	L438-K459 HydrophobicContact CD1-CG 4.22Å; F442-K459 HydrophobicContact CE1-CB 3.83Å; F442-K459 HydrophobicContact CE1-CG 4.31Å; F442-K459 HydrophobicContact CZ-CB 3.85Å; F442-K459 HydrophobicContact CZ-CD 4.41Å; F442-K459 HydrophobicContact CZ-CG 3.96Å; V455-K459 VanDerWaalsContact O-CB 3.31Å; V455-K459 WeakPolarHBondContact O-CB 3.34Å; V455-K459 PolarHBondContact O-N 2.82Å; A457-K459 VanDerWaalsContact C-N 3.33Å; A457-K459 PolarHBondContact O-N 3.17Å; K459-Q463 WeakPolarHBondContact O-CG 3.42Å
460	T	96.9	Very high	97.1	Very high	16 Å²	16	30.9 Å²	30.9	10%	0.098	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-40.3	-174.6	-56.9	0	0	0	0	111.7	Y456 A457 Q463 R464 I675	Y456-T460 VanDerWaalsContact O-CB 3.3Å; Y456-T460 WeakPolarHBondContact O-CB 3.42Å; Y456-T460 PolarHBondContact O-N 3.41Å; Y456-T460 PolarHBondContact O-OG1 3.45Å; A457-T460 PolarHBondContact O-N 3.35Å; T460-Q463 PolarHBondContact O-N 3.1Å; T460-R464 PolarHBondContact O-N 3.3Å; T460-I675 HydrophobicContact CG2-CD1 3.77Å
461	V	97.1	Very high	96.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-64.1	-42.8	179.6	167.9	0	0	0	0	111.6	A457 Q463 R464 I469 V484 Q635 I637 I675	A457-V461 VanDerWaalsContact O-CB 3.24Å; A457-V461 WeakPolarHBondContact O-CB 3.28Å; A457-V461 WeakPolarHBondContact O-CG2 3.35Å; A457-V461 PolarHBondContact O-N 3.17Å; V461-Q463 PolarHBondContact O-N 3.49Å; V461-Q463 VanDerWaalsContact O-N 3.12Å; V461-R464 PolarHBondContact O-N 2.88Å; V461-I469 HydrophobicContact CG2-CD1 3.87Å; V461-I469 HydrophobicContact CG2-CG1 4.07Å; V461-V484 HydrophobicContact CG1-CG1 3.79Å; V461-V484 HydrophobicContact CG1-CG2 4.18Å; V461-Q635 PolarHBondContact O-NE2 2.98Å; V461-I637 HydrophobicContact CG1-CB 4.38Å; V461-I637 HydrophobicContact CG1-CD1 4.46Å; V461-I637 HydrophobicContact CG1-CG1 3.44Å; V461-I637 VanDerWaalsContact CG1-CG1 3.44Å; V461-I637 HydrophobicContact CG1-CG2 3.96Å; V461-I675 HydrophobicContact CG2-CD1 3.94Å
462	L	96.7	Very high	96.8	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-22.5	177.3	-73.4	170.7	0	0	0	113.1	C436 L438 F442 V458 H487 L488 Q635	C436-L462 PolarHBondContact SG-O 3.14Å; L438-L462 HydrophobicContact CD2-CB 4.28Å; L438-L462 HydrophobicContact CD2-CD1 4.39Å; F442-L462 HydrophobicContact CE1-CD1 4.47Å; V458-L462 HydrophobicContact CG1-CD1 3.91Å; V458-L462 HydrophobicContact CG1-CG 4.46Å; V458-L462 VanDerWaalsContact O-CG 3.25Å; V458-L462 WeakPolarHBondContact O-CG 3.14Å; V458-L462 PolarHBondContact O-N 2.96Å; V458-L462 VanDerWaalsContact O-N 3.12Å; L462-H487 HydrophobicContact CD1-CB 3.9Å; L462-H487 HydrophobicContact CD2-CB 3.95Å; L462-L488 HydrophobicContact CD2-CD2 3.81Å; L462-L488 HydrophobicContact CD2-CG 3.99Å; L462-Q635 PolarHBondContact O-NE2 2.93Å
463	Q	96.6	Very high	96.5	Very high	60 Å²	60	23.7 Å²	23.7	28%	0.28	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	2.4	-176.5	-60.3	-171.9	-96.5	0	0	114.3	V433 I434 L438 K459 T460 V461	V433-Q463 WeakPolarHBondContact CA-O 3Å; V433-Q463 HydrophobicContact CG1-CB 4.45Å; I434-Q463 PolarHBondContact N-O 2.89Å; L438-Q463 HydrophobicContact CD2-CG 4.02Å; K459-Q463 WeakPolarHBondContact O-CG 3.42Å; T460-Q463 PolarHBondContact O-N 3.1Å; V461-Q463 PolarHBondContact O-N 3.49Å; V461-Q463 VanDerWaalsContact O-N 3.12Å
464	R	96.2	Very high	96.2	Very high	97 Å²	97	24.2 Å²	24.2	37%	0.366	11%	0.113	S	C	.	.			trans	-126.7	143	-175.8	-72.4	-179.3	170.6	-176.1	-7.7	112.7	T460 V461 L466 Q635	T460-R464 PolarHBondContact O-N 3.3Å; V461-R464 PolarHBondContact O-N 2.88Å; R464-L466 WeakPolarHBondContact CB-O 3.43Å; R464-Q635 WeakPolarHBondContact O-CG 3.49Å; R464-Q635 PolarHBondContact O-NE2 3.03Å
465	P	96.9	Very high	96	Very high	8 Å²	8	23.8 Å²	23.8	5%	0.052	11%	0.112	C	C	.	.	S	Bend	trans	-75.1	-22.5	175.1	-10.4	23.8	0	0	0	114.2	Y419 V432 I434 Q635 L636	Y419-P465 HydrophobicContact CD1-CB 3.6Å; Y419-P465 HydrophobicContact CD1-CG 3.82Å; Y419-P465 HydrophobicContact CE1-CB 3.76Å; Y419-P465 HydrophobicContact CE1-CG 3.81Å; Y419-P465 HydrophobicContact CG-CB 4.45Å; Y419-P465 HydrophobicContact CG-CG 4.34Å; V432-P465 HydrophobicContact CB-CG 4.1Å; V432-P465 HydrophobicContact CG1-CG 4.14Å; V432-P465 WeakPolarHBondContact O-CD 3.29Å; I434-P465 HydrophobicContact CD1-CB 4.13Å; I434-P465 HydrophobicContact CD1-CG 4.06Å; I434-P465 HydrophobicContact CG1-CG 3.95Å; P465-Q635 CarbonylContact O-C 3.59Å; P465-Q635 WeakPolarHBondContact O-CA 3.15Å; P465-L636 PolarHBondContact O-N 3.24Å
466	L	98	Very high	95.8	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.047	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.2	172.3	-178.1	60.1	0	0	0	108.5	Y419 K423 R464 L636 L667 I672	Y419-L466 HydrophobicContact CE1-CB 4.09Å; K423-L466 HydrophobicContact CB-CD2 3.98Å; R464-L466 WeakPolarHBondContact CB-O 3.43Å; L466-L636 WeakPolarHBondContact CA-O 3.26Å; L466-L636 HydrophobicContact CD1-CB 4.07Å; L466-L636 HydrophobicContact CD1-CD2 4.01Å; L466-L636 HydrophobicContact CD1-CG 4.08Å; L466-L667 HydrophobicContact CD2-CD1 4.45Å; L466-I672 HydrophobicContact CD2-CD1 3.8Å
467	S	98.3	Very high	95.5	Very high	5 Å²	5	17.3 Å²	17.3	4%	0.035	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	136.5	173.2	-75.8	0	0	0	0	111.9	L636 I637 L638	S467-L636 PolarHBondContact N-O 2.81Å; S467-I637 WeakPolarHBondContact O-CA 3.1Å; S467-L638 PolarHBondContact O-N 3.18Å
468	L	98.4	Very high	95.2	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.6	171	-50.8	-175.9	0	0	0	108.5	L638 F664 L667 V668 I672 P674 I675	L468-L638 CarbonylContact C-O 3.49Å; L468-L638 WeakPolarHBondContact CA-O 3.5Å; L468-L638 HydrophobicContact CD2-CB 3.78Å; L468-L638 HydrophobicContact CD2-CD1 3.83Å; L468-L638 HydrophobicContact CD2-CG 4.14Å; L468-F664 HydrophobicContact CB-CD2 4.4Å; L468-F664 HydrophobicContact CB-CE2 3.85Å; L468-F664 HydrophobicContact CB-CZ 4.05Å; L468-F664 HydrophobicContact CD2-CD2 4.19Å; L468-F664 HydrophobicContact CD2-CE2 4.46Å; L468-L667 HydrophobicContact CD1-CB 3.92Å; L468-L667 HydrophobicContact CD2-CB 4.48Å; L468-L667 HydrophobicContact CD2-CD1 4.12Å; L468-V668 HydrophobicContact CD1-CG2 3.71Å; L468-I672 HydrophobicContact CD1-CB 4.02Å; L468-I672 HydrophobicContact CD1-CG2 3.86Å; L468-I672 HydrophobicContact CG-CG2 3.97Å; L468-P674 HydrophobicContact CB-CB 3.82Å; L468-P674 WeakPolarHBondContact O-CA 3.31Å; L468-I675 PolarHBondContact O-N 2.82Å
469	I	98.1	Very high	95.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.4	171.1	-52.5	-179.5	0	0	0	108.1	V461 I637 L638 V639 G640 F664 I675 L677	V461-I469 HydrophobicContact CG2-CD1 3.87Å; V461-I469 HydrophobicContact CG2-CG1 4.07Å; I469-I637 HydrophobicContact CD1-CG2 4.08Å; I469-I637 HydrophobicContact CG1-CG2 4.37Å; I469-L638 PolarHBondContact N-O 2.66Å; I469-V639 HydrophobicContact CB-CB 4.46Å; I469-V639 HydrophobicContact CB-CG1 4.18Å; I469-V639 HydrophobicContact CB-CG2 4.12Å; I469-V639 HydrophobicContact CD1-CG2 3.95Å; I469-V639 HydrophobicContact CG1-CG2 4.22Å; I469-V639 HydrophobicContact CG2-CG1 4.44Å; I469-G640 PolarHBondContact O-N 3.18Å; I469-F664 WeakPolarHBondContact O-CE2 3.29Å; I469-I675 WeakPolarHBondContact CA-O 3.49Å; I469-L677 HydrophobicContact CG2-CD1 4.27Å; I469-L677 HydrophobicContact CG2-CD2 4.33Å; I469-L677 HydrophobicContact CG2-CG 4.03Å
470	Q	96.3	Very high	95.1	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	123.5	168.5	-175.2	-178	22	0	0	108.6	G640 D641 H642 F664 P674 I675 R676 L677	Q470-G640 WeakPolarHBondContact CA-O 3.34Å; Q470-D641 PolarHBondContact NE2-OD1 2.83Å; Q470-H642 PolarHBondContact NE2-CE1 3.32Å; Q470-F664 HydrophobicContact CB-CZ 4.37Å; Q470-P674 HydrophobicContact CB-CB 3.99Å; Q470-P674 HydrophobicContact CB-CG 4.15Å; Q470-I675 PolarHBondContact N-O 3.49Å; Q470-R676 CarbonylContact O-C 3.47Å; Q470-R676 WeakPolarHBondContact O-CA 3.2Å; Q470-R676 VanDerWaalsContact OE1-NE 3.1Å; Q470-L677 PolarHBondContact O-N 2.85Å
471	G	92.1	Very high	95.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.			trans	-127.1	101.5	174.8	0	0	0	0	0	112.7	T475 K477 G640	G471-T475 WeakPolarHBondContact CA-OG1 3.41Å; G471-K477 VanDerWaalsContact O-CD 3.29Å; G471-K477 WeakPolarHBondContact O-CD 3.49Å; G471-K477 WeakPolarHBondContact O-CE 3.36Å; G471-K477 PolarHBondContact O-NZ 3.47Å; G471-G640 PolarHBondContact N-O 3.42Å
472	P	92.9	Very high	95.1	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.013	8%	0.081	C	C	.	.			trans	-53.5	160	169.5	-25.7	34.2	0	0	0	112.8	G474 T475 R676 L677 Y696 L700	P472-G474 PolarHBondContact O-N 3.48Å; P472-T475 HydrophobicContact CB-CG2 3.9Å; P472-T475 HydrophobicContact CG-CG2 4.28Å; P472-T475 WeakPolarHBondContact O-CB 3.42Å; P472-T475 VanDerWaalsContact O-CG2 3.3Å; P472-T475 WeakPolarHBondContact O-CG2 3.47Å; P472-T475 PolarHBondContact O-N 3.35Å; P472-T475 PolarHBondContact O-OG1 3.04Å; P472-R676 HydrophobicContact CG-CG 4.48Å; P472-L677 WeakPolarHBondContact CD-O 3.45Å; P472-Y696 HydrophobicContact CB-CD1 3.97Å; P472-Y696 HydrophobicContact CB-CD2 4.34Å; P472-Y696 HydrophobicContact CB-CE1 3.69Å; P472-Y696 HydrophobicContact CB-CE2 4.11Å; P472-Y696 HydrophobicContact CB-CG 4.28Å; P472-Y696 HydrophobicContact CG-CD1 3.65Å; P472-Y696 HydrophobicContact CG-CE1 3.67Å; P472-Y696 HydrophobicContact CG-CG 4.22Å; P472-L700 HydrophobicContact CB-CD1 3.74Å; P472-L700 HydrophobicContact CB-CD2 4.25Å; P472-L700 HydrophobicContact CG-CD1 4.13Å
473	P	90.8	Very high	95.1	Very high	5 Å²	5	14.7 Å²	14.7	3%	0.032	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	131.4	179.8	-30.3	35.5	0	0	0	113.8	T475 Q644 M683 Y696 T843	P473-T475 VanDerWaalsContact C-N 3.29Å; P473-T475 PolarHBondContact O-N 2.96Å; P473-Q644 HydrophobicContact CG-CG 4.37Å; P473-M683 HydrophobicContact CB-CE 4.3Å; P473-Y696 WeakPolarHBondContact CD-OH 3.14Å; P473-T843 VanDerWaalsContact CB-CB 3.47Å; P473-T843 HydrophobicContact CB-CG2 4.01Å; P473-T843 HydrophobicContact CG-CG2 3.89Å; P473-T843 VanDerWaalsContact CG-OG1 3.29Å; P473-T843 WeakPolarHBondContact CG-OG1 3.41Å
474	G	90.3	Very high	95.2	Very high	17 Å²	17	11.8 Å²	11.8	18%	0.175	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	0.9	178	0	0	0	0	0	116.3	P472 G476 Y681	P472-G474 PolarHBondContact O-N 3.48Å; G474-G476 PolarHBondContact O-N 3.16Å; G474-Y681 PolarHBondContact O-N 2.85Å
475	T	93.9	Very high	95.3	Very high	2 Å²	2	7.2 Å²	7.2	1%	0.012	5%	0.05	C	C	.	.	S	Bend	trans	-78.8	3.1	-177	59.1	0	0	0	0	115.9	Q454 G471 P472 P473 L677 V679 Q680 L700	Q454-T475 PolarHBondContact NE2-O 3.07Å; G471-T475 WeakPolarHBondContact CA-OG1 3.41Å; P472-T475 HydrophobicContact CB-CG2 3.9Å; P472-T475 HydrophobicContact CG-CG2 4.28Å; P472-T475 WeakPolarHBondContact O-CB 3.42Å; P472-T475 VanDerWaalsContact O-CG2 3.3Å; P472-T475 WeakPolarHBondContact O-CG2 3.47Å; P472-T475 PolarHBondContact O-N 3.35Å; P472-T475 PolarHBondContact O-OG1 3.04Å; P473-T475 VanDerWaalsContact C-N 3.29Å; P473-T475 PolarHBondContact O-N 2.96Å; T475-L677 HydrophobicContact CG2-CB 4.43Å; T475-V679 WeakPolarHBondContact CA-O 3.47Å; T475-Q680 HydrophobicContact CG2-CB 4.27Å; T475-L700 HydrophobicContact CG2-CD1 3.48Å; T475-L700 VanDerWaalsContact CG2-CD1 3.48Å
476	G	91.9	Very high	95.3	Very high	21 Å²	21	7.9 Å²	7.9	22%	0.216	5%	0.051	C	C	.	.			trans	78.5	33.1	177.5	0	0	0	0	0	114.9	G474 T478 V479 T480	G474-G476 PolarHBondContact O-N 3.16Å; G476-T478 PolarHBondContact O-N 2.85Å; G476-V479 PolarHBondContact O-N 3.25Å; G476-T480 PolarHBondContact O-N 2.96Å; G476-T480 PolarHBondContact O-OG1 3.43Å
477	K	92.5	Very high	95.3	Very high	18 Å²	18	8.3 Å²	8.3	8%	0.078	5%	0.053	C	C	.	.	H	α-helix	trans	-41.3	-64.9	172.1	-77.8	-165.6	-63	-153	0	112	G471 V479 T480 S481 E616 V639 L677	G471-K477 VanDerWaalsContact O-CD 3.29Å; G471-K477 WeakPolarHBondContact O-CD 3.49Å; G471-K477 WeakPolarHBondContact O-CE 3.36Å; G471-K477 PolarHBondContact O-NZ 3.47Å; K477-V479 PolarHBondContact O-N 3.09Å; K477-V479 VanDerWaalsContact O-N 3.15Å; K477-T480 CarbonylContact O-C 3.58Å; K477-T480 WeakPolarHBondContact O-CA 3.35Å; K477-T480 VanDerWaalsContact O-CB 3.28Å; K477-T480 WeakPolarHBondContact O-CB 3.38Å; K477-T480 PolarHBondContact O-N 3.26Å; K477-S481 PolarHBondContact O-N 2.93Å; K477-S481 PolarHBondContact O-OG 3.45Å; K477-S481 VanDerWaalsContact O-OG 3.07Å; K477-E616 WeakPolarHBondContact CE-OE1 3.15Å; K477-E616 IonicContact NZ-OE1 2.7Å; K477-E616 PolarHBondContact NZ-OE1 3.42Å; K477-V639 HydrophobicContact CB-CG1 4.23Å; K477-V639 HydrophobicContact CD-CG1 3.97Å; K477-V639 HydrophobicContact CG-CG1 4.18Å; K477-L677 HydrophobicContact CG-CD1 4.34Å
478	T	91.3	Very high	95.2	Very high	31 Å²	31	8.2 Å²	8.2	19%	0.19	5%	0.052	C	C	.	.	H	α-helix	trans	-59.9	-30.2	-174.3	-32.5	0	0	0	0	113.5	G476 A482 L509 K512	G476-T478 PolarHBondContact O-N 2.85Å; T478-A482 VanDerWaalsContact O-CB 3.27Å; T478-A482 WeakPolarHBondContact O-CB 3.23Å; T478-A482 PolarHBondContact O-N 3.02Å; T478-L509 HydrophobicContact CG2-CB 3.86Å; T478-L509 HydrophobicContact CG2-CD1 3.71Å; T478-L509 HydrophobicContact CG2-CG 4.32Å; T478-K512 HydrophobicContact CG2-CD 4.09Å
479	V	94.8	Very high	95.1	Very high	26 Å²	26	8.4 Å²	8.4	16%	0.158	6%	0.055	C	C	.	.	H	α-helix	trans	-72.5	-40.4	174	179.5	0	0	0	0	110.7	L450 G476 K477 T483 K512	L450-V479 HydrophobicContact CD2-CG1 4.04Å; G476-V479 PolarHBondContact O-N 3.25Å; K477-V479 PolarHBondContact O-N 3.09Å; K477-V479 VanDerWaalsContact O-N 3.15Å; V479-T483 WeakPolarHBondContact O-CB 3.28Å; V479-T483 PolarHBondContact O-N 3.4Å; V479-T483 PolarHBondContact O-OG1 3.17Å; V479-K512 HydrophobicContact CG2-CD 4.15Å
480	T	97.2	Very high	95	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-46.8	174.2	-46.9	0	0	0	0	110.4	Q454 A457 V458 G476 K477 T483 V484 L677	Q454-T480 HydrophobicContact CB-CG2 4.49Å; A457-T480 HydrophobicContact CB-CG2 4.17Å; V458-T480 HydrophobicContact CG2-CG2 4.02Å; G476-T480 PolarHBondContact O-N 2.96Å; G476-T480 PolarHBondContact O-OG1 3.43Å; K477-T480 CarbonylContact O-C 3.58Å; K477-T480 WeakPolarHBondContact O-CA 3.35Å; K477-T480 VanDerWaalsContact O-CB 3.28Å; K477-T480 WeakPolarHBondContact O-CB 3.38Å; K477-T480 PolarHBondContact O-N 3.26Å; T480-T483 PolarHBondContact O-N 3.5Å; T480-V484 WeakPolarHBondContact O-CG2 3.32Å; T480-V484 PolarHBondContact O-N 3.31Å; T480-L677 HydrophobicContact CG2-CD2 4.46Å
481	S	97.1	Very high	94.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.4	-52.3	174.4	-55.3	0	0	0	0	111.7	K477 T483 V484 V485 D615	K477-S481 PolarHBondContact O-N 2.93Å; K477-S481 PolarHBondContact O-OG 3.45Å; K477-S481 VanDerWaalsContact O-OG 3.07Å; S481-T483 VanDerWaalsContact C-N 3.28Å; S481-T483 PolarHBondContact O-N 2.91Å; S481-V484 PolarHBondContact O-N 3.01Å; S481-V485 WeakPolarHBondContact O-CG2 3.48Å; S481-V485 PolarHBondContact O-N 2.77Å; S481-D615 WeakPolarHBondContact CB-OD2 3.43Å; S481-D615 PolarHBondContact OG-OD2 2.93Å
482	A	97.2	Very high	94.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-36.8	177.6	0	0	0	0	0	112.4	L447 T478 V485 Y486 L509 K512 I513	L447-A482 HydrophobicContact CD1-CB 3.74Å; T478-A482 VanDerWaalsContact O-CB 3.27Å; T478-A482 WeakPolarHBondContact O-CB 3.23Å; T478-A482 PolarHBondContact O-N 3.02Å; A482-V485 PolarHBondContact O-N 3.48Å; A482-Y486 WeakPolarHBondContact O-CB 3.35Å; A482-Y486 PolarHBondContact O-N 2.81Å; A482-L509 HydrophobicContact CB-CD1 4.15Å; A482-K512 HydrophobicContact CB-CB 3.9Å; A482-I513 HydrophobicContact CB-CG1 3.74Å
483	T	97.6	Very high	94.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.5	-38.4	176.5	-56.4	0	0	0	0	112.5	F442 A444 L450 V458 V479 T480 S481 Y486 H487	F442-T483 WeakPolarHBondContact O-CG2 3.19Å; A444-T483 HydrophobicContact CB-CG2 4.02Å; L450-T483 HydrophobicContact CD1-CG2 3.78Å; V458-T483 HydrophobicContact CG2-CG2 4.14Å; V479-T483 WeakPolarHBondContact O-CB 3.28Å; V479-T483 PolarHBondContact O-N 3.4Å; V479-T483 PolarHBondContact O-OG1 3.17Å; T480-T483 PolarHBondContact O-N 3.5Å; S481-T483 VanDerWaalsContact C-N 3.28Å; S481-T483 PolarHBondContact O-N 2.91Å; T483-Y486 PolarHBondContact O-N 3Å; T483-H487 PolarHBondContact O-CD2 3.4Å; T483-H487 PolarHBondContact O-N 3.07Å
484	V	97.8	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-49.7	170.7	167.6	0	0	0	0	110.2	V458 V461 T480 S481 Y486 H487 L488 L613 I637	V458-V484 HydrophobicContact CB-CG2 4.36Å; V458-V484 HydrophobicContact CG1-CG2 4.38Å; V458-V484 HydrophobicContact CG2-CG2 3.94Å; V461-V484 HydrophobicContact CG1-CG1 3.79Å; V461-V484 HydrophobicContact CG1-CG2 4.18Å; T480-V484 WeakPolarHBondContact O-CG2 3.32Å; T480-V484 PolarHBondContact O-N 3.31Å; S481-V484 PolarHBondContact O-N 3.01Å; V484-Y486 VanDerWaalsContact C-N 3.32Å; V484-Y486 PolarHBondContact O-N 3.13Å; V484-H487 PolarHBondContact O-N 2.95Å; V484-L488 HydrophobicContact CG1-CD1 3.6Å; V484-L488 HydrophobicContact CG1-CG 4.28Å; V484-L488 VanDerWaalsContact O-CG 3.3Å; V484-L488 WeakPolarHBondContact O-CG 3.42Å; V484-L488 PolarHBondContact O-N 3Å; V484-L613 HydrophobicContact CB-CD1 4.24Å; V484-L613 HydrophobicContact CG1-CD1 4.02Å; V484-I637 HydrophobicContact CG1-CG1 4.33Å
485	V	97.8	Very high	94.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-43.5	178.1	170.7	0	0	0	0	111.5	S481 A482 H487 L488 A489 V496 V498 I513 V591 L613	S481-V485 WeakPolarHBondContact O-CG2 3.48Å; S481-V485 PolarHBondContact O-N 2.77Å; A482-V485 PolarHBondContact O-N 3.48Å; V485-H487 PolarHBondContact O-N 3.29Å; V485-L488 PolarHBondContact O-N 2.82Å; V485-A489 WeakPolarHBondContact O-CB 3.46Å; V485-A489 PolarHBondContact O-N 3.04Å; V485-V496 HydrophobicContact CG1-CB 4.34Å; V485-V496 HydrophobicContact CG1-CG1 4.17Å; V485-V496 HydrophobicContact CG2-CG1 4.34Å; V485-V498 HydrophobicContact CB-CG2 4.47Å; V485-V498 HydrophobicContact CG1-CG2 4.02Å; V485-V498 HydrophobicContact CG2-CG2 3.56Å; V485-I513 HydrophobicContact CB-CD1 4.31Å; V485-I513 HydrophobicContact CB-CG1 4.44Å; V485-I513 HydrophobicContact CG1-CD1 4.03Å; V485-I513 HydrophobicContact CG1-CG1 4.27Å; V485-I513 HydrophobicContact CG1-CG2 4.12Å; V485-I513 HydrophobicContact CG2-CD1 4.27Å; V485-V591 HydrophobicContact CG1-CB 4.35Å; V485-V591 HydrophobicContact CG1-CG1 3.81Å; V485-V591 HydrophobicContact CG1-CG2 3.51Å; V485-L613 HydrophobicContact CG2-CB 4.29Å; V485-L613 HydrophobicContact CG2-CD1 4.24Å
486	Y	97.8	Very high	95	Very high	22 Å²	22	28.4 Å²	28.4	9%	0.086	17%	0.17	C	C	.	.	H	α-helix	trans	-58.4	-46	177.1	173.5	-92.6	0	0	0	113.1	A444 A482 T483 V484 L488 R490 S516 L518	A444-Y486 HydrophobicContact CB-CD1 3.49Å; A444-Y486 VanDerWaalsContact CB-CD1 3.49Å; A444-Y486 HydrophobicContact CB-CD2 4.19Å; A444-Y486 HydrophobicContact CB-CE1 3.9Å; A444-Y486 HydrophobicContact CB-CG 3.65Å; A482-Y486 WeakPolarHBondContact O-CB 3.35Å; A482-Y486 PolarHBondContact O-N 2.81Å; T483-Y486 PolarHBondContact O-N 3Å; V484-Y486 VanDerWaalsContact C-N 3.32Å; V484-Y486 PolarHBondContact O-N 3.13Å; Y486-L488 VanDerWaalsContact C-N 3.35Å; Y486-R490 VanDerWaalsContact CZ-CD 3.45Å; Y486-R490 WeakPolarHBondContact O-CB 3.4Å; Y486-R490 VanDerWaalsContact O-CG 3.28Å; Y486-R490 WeakPolarHBondContact O-CG 3.45Å; Y486-R490 PolarHBondContact O-N 3.35Å; Y486-R490 VanDerWaalsContact O-N 3.16Å; Y486-R490 PolarHBondContact OH-NH1 3.37Å; Y486-S516 WeakPolarHBondContact CD2-OG 3.3Å; Y486-L518 HydrophobicContact CD2-CD1 4.08Å; Y486-L518 HydrophobicContact CD2-CD2 4.23Å; Y486-L518 HydrophobicContact CD2-CG 4.14Å
487	H	97.2	Very high	95.3	Very high	18 Å²	18	27.4 Å²	27.4	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-74.1	-24.2	177.5	-65.6	-61	0	0	0	113.5	R441 F442 L462 T483 V484 V485 Q491	R441-H487 PolarHBondContact O-CE1 3.42Å; F442-H487 PolarHBondContact O-NE2 3.2Å; L462-H487 HydrophobicContact CD1-CB 3.9Å; L462-H487 HydrophobicContact CD2-CB 3.95Å; T483-H487 PolarHBondContact O-CD2 3.4Å; T483-H487 PolarHBondContact O-N 3.07Å; V484-H487 PolarHBondContact O-N 2.95Å; V485-H487 PolarHBondContact O-N 3.29Å; H487-Q491 WeakPolarHBondContact O-CG 3.35Å; H487-Q491 PolarHBondContact O-NE2 2.99Å
488	L	96.6	Very high	95.6	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-73.9	-47.5	173.2	-71.4	169	0	0	0	111.7	L462 V484 V485 Y486 R490 Q491 V496 I637	L462-L488 HydrophobicContact CD2-CD2 3.81Å; L462-L488 HydrophobicContact CD2-CG 3.99Å; V484-L488 HydrophobicContact CG1-CD1 3.6Å; V484-L488 HydrophobicContact CG1-CG 4.28Å; V484-L488 VanDerWaalsContact O-CG 3.3Å; V484-L488 WeakPolarHBondContact O-CG 3.42Å; V484-L488 PolarHBondContact O-N 3Å; V485-L488 PolarHBondContact O-N 2.82Å; Y486-L488 VanDerWaalsContact C-N 3.35Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 3.19Å; L488-Q491 WeakPolarHBondContact O-CB 3.34Å; L488-Q491 PolarHBondContact O-N 2.87Å; L488-Q491 VanDerWaalsContact O-N 3.1Å; L488-V496 HydrophobicContact CB-CG2 3.88Å; L488-I637 HydrophobicContact CD1-CD1 3.89Å
489	A	96.4	Very high	95.9	Very high	8 Å²	8	25.1 Å²	25.1	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-42.1	178.1	0	0	0	0	0	111.2	V485 Q491 G492 V496 L518 D590 V591	V485-A489 WeakPolarHBondContact O-CB 3.46Å; V485-A489 PolarHBondContact O-N 3.04Å; A489-Q491 PolarHBondContact O-N 3.08Å; A489-G492 PolarHBondContact O-N 2.95Å; A489-V496 HydrophobicContact CB-CG2 3.92Å; A489-L518 HydrophobicContact CB-CD1 4.37Å; A489-L518 HydrophobicContact CB-CD2 4.43Å; A489-D590 HydrophobicContact CB-CB 4.28Å; A489-V591 HydrophobicContact CB-CG2 4.34Å
490	R	94.9	Very high	96	Very high	166 Å²	166	23.9 Å²	23.9	63%	0.626	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-2.6	176.8	-70.8	-171.9	69.1	123.5	14.3	115.4	Y486 L488 G492	Y486-R490 VanDerWaalsContact CZ-CD 3.45Å; Y486-R490 WeakPolarHBondContact O-CB 3.4Å; Y486-R490 VanDerWaalsContact O-CG 3.28Å; Y486-R490 WeakPolarHBondContact O-CG 3.45Å; Y486-R490 PolarHBondContact O-N 3.35Å; Y486-R490 VanDerWaalsContact O-N 3.16Å; Y486-R490 PolarHBondContact OH-NH1 3.37Å; L488-R490 VanDerWaalsContact C-N 3.31Å; L488-R490 PolarHBondContact O-N 3.19Å; R490-G492 VanDerWaalsContact C-N 3.34Å
491	Q	91.6	Very high	95.8	Very high	63 Å²	63	24.9 Å²	24.9	29%	0.294	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-10.3	167.3	-63.8	172.5	27.9	0	0	113.1	H487 L488 A489 N493	H487-Q491 WeakPolarHBondContact O-CG 3.35Å; H487-Q491 PolarHBondContact O-NE2 2.99Å; L488-Q491 WeakPolarHBondContact O-CB 3.34Å; L488-Q491 PolarHBondContact O-N 2.87Å; L488-Q491 VanDerWaalsContact O-N 3.1Å; A489-Q491 PolarHBondContact O-N 3.08Å; Q491-N493 VanDerWaalsContact C-N 3.35Å; Q491-N493 WeakPolarHBondContact CB-ND2 3.3Å; Q491-N493 PolarHBondContact O-N 3.22Å
492	G	86.3	Confident	95.3	Very high	66 Å²	66	26.9 Å²	26.9	68%	0.68	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.5	18.7	173.8	0	0	0	0	0	115.4	A489 R490 G494	A489-G492 PolarHBondContact O-N 2.95Å; R490-G492 VanDerWaalsContact C-N 3.34Å; G492-G494 PolarHBondContact O-N 3.26Å; G492-G494 VanDerWaalsContact O-N 3.14Å
493	N	90.3	Very high	94.9	Very high	86 Å²	86	28.5 Å²	28.5	46%	0.46	17%	0.169	S	C	.	.	S	Bend	trans	-82.1	25.2	-177.6	-69.9	-63.9	0	0	0	114.1	Q491	Q491-N493 VanDerWaalsContact C-N 3.35Å; Q491-N493 WeakPolarHBondContact CB-ND2 3.3Å; Q491-N493 PolarHBondContact O-N 3.22Å
494	G	93.2	Very high	94.3	Very high	44 Å²	44	31.9 Å²	31.9	45%	0.454	19%	0.186	S	C	.	.	S	Bend	trans	82.7	-177.4	-166.6	0	0	0	0	0	113.3	G492	G492-G494 PolarHBondContact O-N 3.26Å; G492-G494 VanDerWaalsContact O-N 3.14Å
495	P	97.1	Very high	93.9	Very high	20 Å²	20	32.3 Å²	32.3	13%	0.13	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-60.8	141	-177.5	21.9	-33.2	0	0	0	112.9	D590 I592 M607 F609	P495-D590 WeakPolarHBondContact CA-O 3.38Å; P495-I592 HydrophobicContact CB-CD1 4.23Å; P495-I592 HydrophobicContact CB-CG1 4.3Å; P495-I592 HydrophobicContact CG-CD1 4.44Å; P495-M607 HydrophobicContact CG-CE 3.96Å; P495-F609 HydrophobicContact CB-CE1 4.2Å; P495-F609 HydrophobicContact CG-CD1 4.31Å; P495-F609 HydrophobicContact CG-CE1 3.82Å
496	V	98.4	Very high	93.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.6	168.5	-177.1	0	0	0	0	109.3	V485 L488 A489 V498 D590 V591 I592	V485-V496 HydrophobicContact CG1-CB 4.34Å; V485-V496 HydrophobicContact CG1-CG1 4.17Å; V485-V496 HydrophobicContact CG2-CG1 4.34Å; L488-V496 HydrophobicContact CB-CG2 3.88Å; A489-V496 HydrophobicContact CB-CG2 3.92Å; V496-V498 HydrophobicContact CG1-CG2 4.21Å; V496-D590 PolarHBondContact N-O 3.3Å; V496-V591 WeakPolarHBondContact O-CA 3.42Å; V496-I592 PolarHBondContact O-N 2.87Å
497	L	98.6	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.4	172.4	-173.8	65.1	0	0	0	110.3	I592 A599 F609 S611 I612 L613 P628 L631	L497-I592 HydrophobicContact CD1-CB 4.36Å; L497-I592 HydrophobicContact CD1-CG2 4.28Å; L497-A599 HydrophobicContact CD2-CB 4.34Å; L497-F609 HydrophobicContact CB-CB 3.77Å; L497-F609 HydrophobicContact CB-CD1 3.81Å; L497-F609 HydrophobicContact CB-CD2 4.21Å; L497-F609 HydrophobicContact CB-CE1 4.49Å; L497-F609 HydrophobicContact CB-CG 3.65Å; L497-F609 HydrophobicContact CD1-CE2 4.49Å; L497-F609 HydrophobicContact CD2-CB 4.38Å; L497-F609 HydrophobicContact CD2-CD2 3.88Å; L497-F609 HydrophobicContact CD2-CE2 4.46Å; L497-F609 HydrophobicContact CD2-CG 4.14Å; L497-F609 HydrophobicContact CG-CD2 4.45Å; L497-F609 HydrophobicContact CG-CG 4.37Å; L497-S611 PolarHBondContact N-O 3.09Å; L497-S611 VanDerWaalsContact N-O 3.16Å; L497-I612 HydrophobicContact CB-CG1 4.27Å; L497-I612 HydrophobicContact CB-CG2 4.32Å; L497-I612 HydrophobicContact CD2-CD1 4.26Å; L497-I612 HydrophobicContact CD2-CG2 4.26Å; L497-I612 HydrophobicContact CG-CG2 4.44Å; L497-I612 WeakPolarHBondContact O-CA 3.34Å; L497-L613 PolarHBondContact O-N 3.41Å; L497-P628 HydrophobicContact CD2-CB 3.78Å; L497-L631 HydrophobicContact CD2-CD1 3.93Å
498	V	98.6	Very high	93.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.1	-179	177.4	0	0	0	0	109.5	V485 V496 L509 I513 V591 I592 C593 C594 L613	V485-V498 HydrophobicContact CB-CG2 4.47Å; V485-V498 HydrophobicContact CG1-CG2 4.02Å; V485-V498 HydrophobicContact CG2-CG2 3.56Å; V496-V498 HydrophobicContact CG1-CG2 4.21Å; V498-L509 HydrophobicContact CG1-CD2 3.35Å; V498-L509 HydrophobicContact CG1-CG 3.77Å; V498-I513 HydrophobicContact CB-CD1 4.45Å; V498-I513 HydrophobicContact CG1-CD1 3.99Å; V498-I513 HydrophobicContact CG2-CD1 4.06Å; V498-V591 HydrophobicContact CB-CG1 4.22Å; V498-V591 HydrophobicContact CG2-CG1 3.51Å; V498-I592 PolarHBondContact N-O 2.78Å; V498-C593 WeakPolarHBondContact O-CA 3.43Å; V498-C594 PolarHBondContact O-N 3.45Å; V498-L613 WeakPolarHBondContact CA-O 3.3Å
499	C	98.1	Very high	93	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.6	-175.6	-63.5	0	0	0	0	113	C594 L613 I614 D615 P628	C499-C594 VanDerWaalsContact CA-O 3.32Å; C499-C594 WeakPolarHBondContact CA-O 3.32Å; C499-L613 PolarHBondContact N-O 3.5Å; C499-I614 HydrophobicContact CB-CG1 4.33Å; C499-I614 HydrophobicContact CB-CG2 4.36Å; C499-I614 CarbonylContact O-C 3.25Å; C499-I614 VanDerWaalsContact O-CA 3.31Å; C499-I614 WeakPolarHBondContact O-CA 3.22Å; C499-D615 PolarHBondContact O-N 3.3Å; C499-P628 HydrophobicContact CB-CG 4.35Å
500	A	95.8	Very high	93	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.1	161.2	0	0	0	0	0	108.4	A505 V506 T595 C596 D615	A500-A505 HydrophobicContact CB-CB 3.66Å; A500-V506 HydrophobicContact CB-CG2 3.83Å; A500-T595 CarbonylContact O-C 3.58Å; A500-T595 WeakPolarHBondContact O-CA 3.43Å; A500-T595 WeakPolarHBondContact O-CB 3.47Å; A500-C596 PolarHBondContact O-N 3.31Å; A500-D615 WeakPolarHBondContact CA-O 3.42Å; A500-D615 VanDerWaalsContact CB-O 3.22Å; A500-D615 WeakPolarHBondContact CB-O 3.5Å
501	P	92.6	Very high	93.1	Very high	22 Å²	22	29.7 Å²	29.7	14%	0.143	19%	0.185	C	C	.	.	S	Bend	trans	-66.9	-45.1	179.5	20.9	-28.8	0	0	0	112.3	Q619 A620 E624	P501-Q619 HydrophobicContact CG-CB 3.64Å; P501-A620 HydrophobicContact CB-CB 4.02Å; P501-A620 HydrophobicContact CG-CB 4.04Å; P501-E624 WeakPolarHBondContact CB-OE1 3.35Å
502	S	88.1	Confident	93.2	Very high	41 Å²	41	29.2 Å²	29.2	29%	0.287	18%	0.181	S	C	.	.	S	Bend	trans	-91.2	138.6	-178.8	67.2	0	0	0	0	112.9	I504 A505 V506	S502-I504 PolarHBondContact O-N 3.18Å; S502-A505 PolarHBondContact O-N 3.38Å; S502-A505 VanDerWaalsContact O-N 3.14Å; S502-A505 WeakPolarHBondContact OG-CB 3.47Å; S502-V506 PolarHBondContact O-N 2.93Å
503	N	87.2	Confident	93.7	Very high	35 Å²	35	26 Å²	26	19%	0.187	15%	0.149	C	C	.	.	H	α-helix	trans	-57.3	-36.8	179.4	-78.6	-82.9	0	0	0	112.6	A505 V506 D507 R522 T595	N503-A505 VanDerWaalsContact C-N 3.35Å; N503-A505 PolarHBondContact O-N 3.49Å; N503-V506 WeakPolarHBondContact O-CB 3.44Å; N503-V506 PolarHBondContact O-N 3.46Å; N503-D507 WeakPolarHBondContact O-CB 3.24Å; N503-D507 PolarHBondContact O-N 2.92Å; N503-R522 PolarHBondContact OD1-NH2 3.49Å; N503-T595 HydrophobicContact CB-CG2 4.48Å
504	I	86.4	Confident	94.1	Very high	71 Å²	71	25.4 Å²	25.4	36%	0.364	14%	0.143	S	C	.	.	H	α-helix	trans	-63.7	-39.6	179.6	-61	168.2	0	0	0	111.4	S502 D507 Q508	S502-I504 PolarHBondContact O-N 3.18Å; I504-D507 PolarHBondContact O-N 3.31Å; I504-Q508 HydrophobicContact CG2-CG 4.44Å; I504-Q508 WeakPolarHBondContact O-CB 3.31Å; I504-Q508 VanDerWaalsContact O-CG 3.32Å; I504-Q508 WeakPolarHBondContact O-CG 3.45Å; I504-Q508 PolarHBondContact O-N 3.13Å
505	A	89	Confident	94.2	Very high	9 Å²	9	28.2 Å²	28.2	7%	0.074	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-39.4	175	0	0	0	0	0	111.9	A500 S502 N503 L509 E616	A500-A505 HydrophobicContact CB-CB 3.66Å; S502-A505 PolarHBondContact O-N 3.38Å; S502-A505 VanDerWaalsContact O-N 3.14Å; S502-A505 WeakPolarHBondContact OG-CB 3.47Å; N503-A505 VanDerWaalsContact C-N 3.35Å; N503-A505 PolarHBondContact O-N 3.49Å; A505-L509 WeakPolarHBondContact O-CB 3.43Å; A505-L509 PolarHBondContact O-N 3.43Å; A505-L509 VanDerWaalsContact O-N 3.12Å; A505-E616 HydrophobicContact CB-CG 4.4Å
506	V	93.8	Very high	94	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-61	-45.3	172.5	-175.2	0	0	0	0	110.7	A500 S502 N503 L509 T510 C593 C594 T595	A500-V506 HydrophobicContact CB-CG2 3.83Å; S502-V506 PolarHBondContact O-N 2.93Å; N503-V506 WeakPolarHBondContact O-CB 3.44Å; N503-V506 PolarHBondContact O-N 3.46Å; V506-L509 PolarHBondContact O-N 2.92Å; V506-T510 VanDerWaalsContact O-CB 3.31Å; V506-T510 WeakPolarHBondContact O-CB 3.32Å; V506-T510 PolarHBondContact O-N 3.24Å; V506-T510 PolarHBondContact O-OG1 3.32Å; V506-C593 HydrophobicContact CG1-CB 3.99Å; V506-C594 WeakPolarHBondContact CG2-O 3.4Å; V506-T595 HydrophobicContact CG2-CG2 3.83Å
507	D	92.1	Very high	93.9	Very high	23 Å²	23	30.8 Å²	30.8	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-43.2	-175.5	-62.2	-19.9	0	0	0	111.5	N503 I504 L509 T510 E511 R522 V535	N503-D507 WeakPolarHBondContact O-CB 3.24Å; N503-D507 PolarHBondContact O-N 2.92Å; I504-D507 PolarHBondContact O-N 3.31Å; D507-L509 VanDerWaalsContact C-N 3.29Å; D507-L509 PolarHBondContact O-N 3.39Å; D507-T510 WeakPolarHBondContact O-CB 3.4Å; D507-T510 PolarHBondContact O-N 3.33Å; D507-E511 PolarHBondContact O-N 2.98Å; D507-R522 IonicContact OD1-CZ 2.85Å; D507-R522 IonicContact OD1-NE 2.88Å; D507-R522 PolarHBondContact OD1-NE 3.34Å; D507-R522 IonicContact OD1-NH2 3.58Å; D507-R522 PolarHBondContact OD1-NH2 3.46Å; D507-R522 IonicContact OD2-NH2 2.72Å; D507-V535 HydrophobicContact CB-CG2 3.78Å
508	Q	90.9	Very high	93.8	Very high	57 Å²	57	31.6 Å²	31.6	27%	0.266	18%	0.18	S	C	.	.	H	α-helix	trans	-59.5	-36.5	172.3	-75.7	-179	-13.2	0	0	113.2	I504 K512 G810	I504-Q508 HydrophobicContact CG2-CG 4.44Å; I504-Q508 WeakPolarHBondContact O-CB 3.31Å; I504-Q508 VanDerWaalsContact O-CG 3.32Å; I504-Q508 WeakPolarHBondContact O-CG 3.45Å; I504-Q508 PolarHBondContact O-N 3.13Å; Q508-K512 WeakPolarHBondContact O-CG 3.48Å; Q508-K512 PolarHBondContact O-N 3.16Å; Q508-G810 PolarHBondContact NE2-O 3.24Å; Q508-G810 PolarHBondContact OE1-O 3.44Å
509	L	94.2	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-79.1	-37.8	178.7	-175.6	50.9	0	0	0	111.3	T478 A482 V498 A505 V506 D507 E511 K512 I513 L613 D615	T478-L509 HydrophobicContact CG2-CB 3.86Å; T478-L509 HydrophobicContact CG2-CD1 3.71Å; T478-L509 HydrophobicContact CG2-CG 4.32Å; A482-L509 HydrophobicContact CB-CD1 4.15Å; V498-L509 HydrophobicContact CG1-CD2 3.35Å; V498-L509 HydrophobicContact CG1-CG 3.77Å; A505-L509 WeakPolarHBondContact O-CB 3.43Å; A505-L509 PolarHBondContact O-N 3.43Å; A505-L509 VanDerWaalsContact O-N 3.12Å; V506-L509 PolarHBondContact O-N 2.92Å; D507-L509 VanDerWaalsContact C-N 3.29Å; D507-L509 PolarHBondContact O-N 3.39Å; L509-E511 PolarHBondContact O-N 2.98Å; L509-K512 PolarHBondContact O-N 2.67Å; L509-I513 HydrophobicContact CD1-CD1 3.83Å; L509-I513 HydrophobicContact CD1-CG1 4.12Å; L509-I513 HydrophobicContact CG-CD1 3.76Å; L509-I513 WeakPolarHBondContact O-CD1 3.41Å; L509-I513 WeakPolarHBondContact O-CG1 3.32Å; L509-I513 PolarHBondContact O-N 2.6Å; L509-L613 HydrophobicContact CD2-CD2 4.06Å; L509-D615 HydrophobicContact CD2-CB 3.73Å
510	T	96.9	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56	-48.3	172.4	-58	0	0	0	0	110.8	V506 D507 K512 I513 H514 V520 R522 V535 L538 C593	V506-T510 VanDerWaalsContact O-CB 3.31Å; V506-T510 WeakPolarHBondContact O-CB 3.32Å; V506-T510 PolarHBondContact O-N 3.24Å; V506-T510 PolarHBondContact O-OG1 3.32Å; D507-T510 WeakPolarHBondContact O-CB 3.4Å; D507-T510 PolarHBondContact O-N 3.33Å; T510-K512 PolarHBondContact O-N 3.3Å; T510-I513 PolarHBondContact O-N 3.3Å; T510-H514 WeakPolarHBondContact O-CB 3.5Å; T510-H514 PolarHBondContact O-N 3.18Å; T510-V520 HydrophobicContact CG2-CG1 3.81Å; T510-R522 HydrophobicContact CG2-CB 4.11Å; T510-V535 HydrophobicContact CG2-CB 3.97Å; T510-V535 HydrophobicContact CG2-CG1 3.99Å; T510-V535 HydrophobicContact CG2-CG2 4.2Å; T510-L538 HydrophobicContact CG2-CB 4.41Å; T510-L538 HydrophobicContact CG2-CD1 3.74Å; T510-C593 HydrophobicContact CG2-CB 4.41Å; T510-C593 WeakPolarHBondContact OG1-CB 3.33Å
511	E	95.4	Very high	93.8	Very high	81 Å²	81	38.3 Å²	38.3	38%	0.379	21%	0.209	S	C	.	.	H	α-helix	trans	-53.8	-53.1	175.9	179.5	-162.1	-126	0	0	111.4	D507 L509 I513 H514 M515 V535	D507-E511 PolarHBondContact O-N 2.98Å; L509-E511 PolarHBondContact O-N 2.98Å; E511-I513 PolarHBondContact O-N 3.07Å; E511-H514 WeakPolarHBondContact O-CB 3.42Å; E511-H514 PolarHBondContact O-N 2.91Å; E511-M515 WeakPolarHBondContact O-CG 3.43Å; E511-M515 PolarHBondContact O-N 3.49Å; E511-V535 HydrophobicContact CB-CG1 4.1Å
512	K	94.7	Very high	94.1	Very high	52 Å²	52	37.8 Å²	37.8	23%	0.226	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-30.2	-175	-63.3	-171.7	-161.9	-36.1	0	113.3	L447 T478 V479 A482 Q508 L509 T510	L447-K512 HydrophobicContact CD2-CB 4.24Å; T478-K512 HydrophobicContact CG2-CD 4.09Å; V479-K512 HydrophobicContact CG2-CD 4.15Å; A482-K512 HydrophobicContact CB-CB 3.9Å; Q508-K512 WeakPolarHBondContact O-CG 3.48Å; Q508-K512 PolarHBondContact O-N 3.16Å; L509-K512 PolarHBondContact O-N 2.67Å; T510-K512 PolarHBondContact O-N 3.3Å
513	I	97.1	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.2	-41.5	172.2	-64.8	163.7	0	0	0	109.6	A482 V485 V498 L509 T510 E511 M515 S516 L518 V520 V591	A482-I513 HydrophobicContact CB-CG1 3.74Å; V485-I513 HydrophobicContact CB-CD1 4.31Å; V485-I513 HydrophobicContact CB-CG1 4.44Å; V485-I513 HydrophobicContact CG1-CD1 4.03Å; V485-I513 HydrophobicContact CG1-CG1 4.27Å; V485-I513 HydrophobicContact CG1-CG2 4.12Å; V485-I513 HydrophobicContact CG2-CD1 4.27Å; V498-I513 HydrophobicContact CB-CD1 4.45Å; V498-I513 HydrophobicContact CG1-CD1 3.99Å; V498-I513 HydrophobicContact CG2-CD1 4.06Å; L509-I513 HydrophobicContact CD1-CD1 3.83Å; L509-I513 HydrophobicContact CD1-CG1 4.12Å; L509-I513 HydrophobicContact CG-CD1 3.76Å; L509-I513 WeakPolarHBondContact O-CD1 3.41Å; L509-I513 WeakPolarHBondContact O-CG1 3.32Å; L509-I513 PolarHBondContact O-N 2.6Å; T510-I513 PolarHBondContact O-N 3.3Å; E511-I513 PolarHBondContact O-N 3.07Å; I513-M515 PolarHBondContact O-N 3.12Å; I513-S516 WeakPolarHBondContact O-CB 3.26Å; I513-S516 PolarHBondContact O-N 3.46Å; I513-S516 VanDerWaalsContact O-N 3.08Å; I513-S516 PolarHBondContact O-OG 2.86Å; I513-L518 HydrophobicContact CG2-CD1 3.93Å; I513-V520 HydrophobicContact CB-CG2 4.18Å; I513-V520 HydrophobicContact CG2-CG2 3.54Å; I513-V591 HydrophobicContact CD1-CG1 4.32Å; I513-V591 HydrophobicContact CG2-CB 4.15Å; I513-V591 HydrophobicContact CG2-CG1 4.19Å; I513-V591 HydrophobicContact CG2-CG2 3.79Å
514	H	97	Very high	94.7	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.338	19%	0.187	S	C	.	.	H	α-helix	trans	-63	-39.1	176.7	178.1	55.7	0	0	0	112.9	T510 E511 S516 G517 V520 F537 L538	T510-H514 WeakPolarHBondContact O-CB 3.5Å; T510-H514 PolarHBondContact O-N 3.18Å; E511-H514 WeakPolarHBondContact O-CB 3.42Å; E511-H514 PolarHBondContact O-N 2.91Å; H514-S516 PolarHBondContact O-N 3.08Å; H514-G517 PolarHBondContact O-N 3.4Å; H514-V520 HydrophobicContact CB-CG2 4.19Å; H514-F537 AromaticContact CD2-CE2 3.94Å; H514-F537 AromaticContact CD2-CZ 3.72Å; H514-F537 AromaticContact NE2-CE2 3.54Å; H514-F537 AromaticContact NE2-CZ 3.75Å; H514-L538 HydrophobicContact CB-CD1 3.66Å
515	M	95.2	Very high	94.7	Very high	102 Å²	102	33.9 Å²	33.9	50%	0.502	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-23	172.6	-70.5	176.6	75	0	0	113.7	L447 E511 I513 G517	L447-M515 HydrophobicContact CD2-CB 4.28Å; L447-M515 HydrophobicContact CD2-SD 4.5Å; E511-M515 WeakPolarHBondContact O-CG 3.43Å; E511-M515 PolarHBondContact O-N 3.49Å; I513-M515 PolarHBondContact O-N 3.12Å; M515-G517 VanDerWaalsContact C-N 3.31Å; M515-G517 PolarHBondContact O-N 2.87Å
516	S	94.6	Very high	94.5	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1	177.6	76	0	0	0	0	115.3	Q445 Y486 I513 H514 L518	Q445-S516 VanDerWaalsContact O-CA 3.27Å; Q445-S516 WeakPolarHBondContact O-CA 3.5Å; Q445-S516 WeakPolarHBondContact O-CB 3.47Å; Y486-S516 WeakPolarHBondContact CD2-OG 3.3Å; I513-S516 WeakPolarHBondContact O-CB 3.26Å; I513-S516 PolarHBondContact O-N 3.46Å; I513-S516 VanDerWaalsContact O-N 3.08Å; I513-S516 PolarHBondContact O-OG 2.86Å; H514-S516 PolarHBondContact O-N 3.08Å; S516-L518 WeakPolarHBondContact OG-CD1 3.4Å
517	G	95.2	Very high	93.8	Very high	69 Å²	69	41.4 Å²	41.4	71%	0.711	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	12	176.3	0	0	0	0	0	115.2	H514 M515	H514-G517 PolarHBondContact O-N 3.4Å; M515-G517 VanDerWaalsContact C-N 3.31Å; M515-G517 PolarHBondContact O-N 2.87Å
518	L	96.6	Very high	93.2	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.094	23%	0.226	C	C	.	.			trans	-80.4	153.8	177	-62.3	172.5	0	0	0	112.2	Y486 A489 I513 S516 V520 D590 V591	Y486-L518 HydrophobicContact CD2-CD1 4.08Å; Y486-L518 HydrophobicContact CD2-CD2 4.23Å; Y486-L518 HydrophobicContact CD2-CG 4.14Å; A489-L518 HydrophobicContact CB-CD1 4.37Å; A489-L518 HydrophobicContact CB-CD2 4.43Å; I513-L518 HydrophobicContact CG2-CD1 3.93Å; S516-L518 WeakPolarHBondContact OG-CD1 3.4Å; L518-V520 HydrophobicContact CB-CG2 4.34Å; L518-V520 PolarHBondContact O-N 3.5Å; L518-V520 VanDerWaalsContact O-N 3.12Å; L518-D590 HydrophobicContact CB-CB 4.09Å; L518-D590 HydrophobicContact CD2-CB 4.13Å; L518-V591 HydrophobicContact CD1-CG2 3.9Å
519	K	96.9	Very high	92.8	Very high	136 Å²	136	42.1 Å²	42.1	59%	0.591	22%	0.224	S	C	*	.			trans	-75.2	94.2	168.9	-62.4	176	-177.4	177.3	0	110	D590 V591	K519-D590 HydrophobicContact CB-CB 4.39Å; K519-D590 WeakPolarHBondContact CB-OD2 3.44Å; K519-D590 PolarHBondContact N-OD2 2.99Å; K519-D590 PolarHBondContact O-N 2.9Å; K519-V591 PolarHBondContact O-N 3.19Å
520	V	98.1	Very high	91.7	Very high	3 Å²	3	45 Å²	45	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.2	178.4	-169.8	0	0	0	0	110.7	T510 I513 H514 L518 Q543 V591 C593	T510-V520 HydrophobicContact CG2-CG1 3.81Å; I513-V520 HydrophobicContact CB-CG2 4.18Å; I513-V520 HydrophobicContact CG2-CG2 3.54Å; H514-V520 HydrophobicContact CB-CG2 4.19Å; L518-V520 HydrophobicContact CB-CG2 4.34Å; L518-V520 PolarHBondContact O-N 3.5Å; L518-V520 VanDerWaalsContact O-N 3.12Å; V520-Q543 PolarHBondContact O-NE2 3.06Å; V520-Q543 VanDerWaalsContact O-NE2 3.11Å; V520-V591 WeakPolarHBondContact CA-O 3.28Å; V520-C593 HydrophobicContact CG1-CB 4.48Å
521	V	98.2	Very high	90.6	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.5	171.3	179.4	0	0	0	0	109.3	L540 L586 A589 V591 I592 C593	V521-L540 HydrophobicContact CG1-CB 3.87Å; V521-L540 HydrophobicContact CG1-CD1 3.87Å; V521-L540 HydrophobicContact CG1-CG 4.36Å; V521-L586 HydrophobicContact CG1-CD2 3.83Å; V521-A589 HydrophobicContact CB-CB 4.38Å; V521-A589 HydrophobicContact CG2-CB 3.66Å; V521-V591 PolarHBondContact N-O 2.79Å; V521-I592 WeakPolarHBondContact O-CA 3.32Å; V521-C593 PolarHBondContact O-N 3.12Å
522	R	97.7	Very high	89.6	Confident	10 Å²	10	48.7 Å²	48.7	4%	0.038	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.1	174.2	175.5	56.5	167.8	109.8	0.5	109.7	N503 D507 T510 S524 V535 L538 A539 L540 C593	N503-R522 PolarHBondContact OD1-NH2 3.49Å; D507-R522 IonicContact OD1-CZ 2.85Å; D507-R522 IonicContact OD1-NE 2.88Å; D507-R522 PolarHBondContact OD1-NE 3.34Å; D507-R522 IonicContact OD1-NH2 3.58Å; D507-R522 PolarHBondContact OD1-NH2 3.46Å; D507-R522 IonicContact OD2-NH2 2.72Å; T510-R522 HydrophobicContact CG2-CB 4.11Å; R522-S524 PolarHBondContact O-N 3.17Å; R522-V535 HydrophobicContact CG-CG2 4.29Å; R522-L538 HydrophobicContact CB-CB 4.32Å; R522-L538 PolarHBondContact N-O 3.45Å; R522-A539 CarbonylContact O-C 3.54Å; R522-A539 VanDerWaalsContact O-CA 3.28Å; R522-A539 WeakPolarHBondContact O-CA 3.2Å; R522-L540 PolarHBondContact O-N 3.14Å; R522-C593 CarbonylContact C-O 3.52Å; R522-C593 WeakPolarHBondContact CA-O 3.3Å; R522-C593 WeakPolarHBondContact CD-O 3.31Å
523	L	96.6	Very high	89	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	27%	0.269	C	S	.	.			trans	-87.2	111.2	175.4	-171.2	72.3	0	0	0	109.7	L540 I592 C593 C594 D601 L604	L523-L540 HydrophobicContact CD1-CB 4.37Å; L523-L540 HydrophobicContact CD1-CD2 3.51Å; L523-I592 HydrophobicContact CB-CG2 4.49Å; L523-C593 PolarHBondContact N-O 2.72Å; L523-C594 HydrophobicContact CB-CB 4.04Å; L523-D601 HydrophobicContact CD2-CB 3.99Å; L523-L604 HydrophobicContact CD2-CD1 3.46Å; L523-L604 VanDerWaalsContact CD2-CD1 3.46Å; L523-L604 HydrophobicContact CD2-CD2 4.12Å; L523-L604 HydrophobicContact CD2-CG 3.61Å
524	S	91.6	Very high	88.4	Confident	12 Å²	12	53 Å²	53	8%	0.084	30%	0.303	C	S	.	.			trans	-96.7	154.5	171	57.7	0	0	0	0	111.7	R522 H541 R603	R522-S524 PolarHBondContact O-N 3.17Å; S524-H541 PolarHBondContact OG-CE1 3.22Å; S524-H541 PolarHBondContact OG-ND1 2.82Å; S524-R603 PolarHBondContact O-NH2 3.29Å
525	A	87.8	Confident	88.2	Confident	50 Å²	50	49.6 Å²	49.6	41%	0.413	29%	0.288	S	S	.	.			trans	-67.5	148.4	167.2	0	0	0	0	0	110.1	S527 R528	A525-S527 VanDerWaalsContact C-N 3.28Å; A525-S527 PolarHBondContact O-N 2.99Å; A525-R528 WeakPolarHBondContact O-CA 3.2Å; A525-R528 WeakPolarHBondContact O-CB 3.31Å; A525-R528 PolarHBondContact O-N 3.39Å
526	K	84.2	Confident	88	Confident	141 Å²	141	45.5 Å²	45.5	61%	0.613	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-58.9	-34.9	-172.9	-65	-167.8	173.9	-176.2	0	114.4	R528 E529	K526-R528 PolarHBondContact O-N 3.35Å; K526-E529 PolarHBondContact O-N 3.24Å
527	S	78.9	Confident	88	Confident	26 Å²	26	51 Å²	51	18%	0.182	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-72.6	-3.8	175.3	63.7	0	0	0	0	114	G338 H358 A525	G338-S527 WeakPolarHBondContact CA-O 3.31Å; G338-S527 WeakPolarHBondContact O-CB 3.44Å; G338-S527 PolarHBondContact O-OG 3.1Å; H358-S527 WeakPolarHBondContact ND1-CB 3.41Å; A525-S527 VanDerWaalsContact C-N 3.28Å; A525-S527 PolarHBondContact O-N 2.99Å
528	R	80.3	Confident	88	Confident	50 Å²	50	48.1 Å²	48.1	19%	0.189	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-109.8	10.6	172.9	-60.3	-165.5	58.4	109.8	-5.9	113.1	Q337 A525 K526 A530 I531	Q337-R528 PolarHBondContact O-NH1 3.16Å; A525-R528 WeakPolarHBondContact O-CA 3.2Å; A525-R528 WeakPolarHBondContact O-CB 3.31Å; A525-R528 PolarHBondContact O-N 3.39Å; K526-R528 PolarHBondContact O-N 3.35Å; R528-A530 PolarHBondContact O-N 2.69Å; R528-I531 HydrophobicContact CB-CD1 3.69Å; R528-I531 HydrophobicContact CB-CG1 4.5Å; R528-I531 HydrophobicContact CG-CD1 3.54Å; R528-I531 PolarHBondContact O-N 3.13Å
529	E	82.8	Confident	88	Confident	46 Å²	46	47.4 Å²	47.4	22%	0.215	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-3.9	174.5	-65.6	-176.4	-165.9	0	0	113.2	K526 H541 K578 R603	K526-E529 PolarHBondContact O-N 3.24Å; E529-H541 HydrophobicContact CG-CB 4.02Å; E529-H541 PolarHBondContact O-NE2 2.87Å; E529-K578 IonicContact OE2-NZ 2.84Å; E529-R603 IonicContact OE1-NH1 3.56Å; E529-R603 PolarHBondContact OE1-NH1 3.25Å
530	A	70.6	Confident	87.9	Confident	60 Å²	60	41 Å²	41	50%	0.496	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	7.5	175.3	0	0	0	0	0	113.9	R528	R528-A530 PolarHBondContact O-N 2.69Å
531	I	73.9	Confident	87.6	Confident	23 Å²	23	41.5 Å²	41.5	12%	0.118	23%	0.232	C	C	.	.			trans	-105.1	126.6	-177.4	-57.1	166.7	0	0	0	108.8	Q337 R528	Q337-I531 HydrophobicContact CB-CD1 3.56Å; Q337-I531 HydrophobicContact CB-CG1 4.08Å; Q337-I531 HydrophobicContact CB-CG2 4.39Å; Q337-I531 VanDerWaalsContact O-CD1 3.25Å; Q337-I531 WeakPolarHBondContact O-CD1 3.49Å; R528-I531 HydrophobicContact CB-CD1 3.69Å; R528-I531 HydrophobicContact CB-CG1 4.5Å; R528-I531 HydrophobicContact CG-CD1 3.54Å; R528-I531 PolarHBondContact O-N 3.13Å
532	D	74.1	Confident	87.3	Confident	135 Å²	135	43.1 Å²	43.1	72%	0.722	24%	0.24	S	C	*	.			trans	-82.9	154.4	175.6	-161.6	23.3	0	0	0	112.9	S536	D532-S536 WeakPolarHBondContact CA-OG 3.34Å; D532-S536 WeakPolarHBondContact OD1-CB 3.39Å; D532-S536 PolarHBondContact OD1-OG 2.77Å
533	S	81.8	Confident	87	Confident	33 Å²	33	44.6 Å²	44.6	23%	0.231	25%	0.248	C	C	.	.			trans	-162.7	160.1	-174.4	68.6	0	0	0	0	109.6	V535 S536	S533-V535 PolarHBondContact O-N 3.47Å; S533-V535 PolarHBondContact OG-N 2.91Å; S533-S536 PolarHBondContact N-OG 2.85Å; S533-S536 PolarHBondContact O-N 2.81Å; S533-S536 PolarHBondContact O-OG 3.34Å; S533-S536 PolarHBondContact OG-N 2.89Å; S533-S536 PolarHBondContact OG-OG 2.59Å
534	P	85.5	Confident	86.8	Confident	109 Å²	109	44.9 Å²	44.9	71%	0.708	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-13.5	176.6	-26.1	35.8	0	0	0	115.4	F537	P534-F537 WeakPolarHBondContact O-CE1 3.38Å
535	V	92.6	Very high	86.5	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.012	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	16.7	-179.5	-61.2	0	0	0	0	113.5	D507 T510 E511 R522 S533 F537 L538 A539	D507-V535 HydrophobicContact CB-CG2 3.78Å; T510-V535 HydrophobicContact CG2-CB 3.97Å; T510-V535 HydrophobicContact CG2-CG1 3.99Å; T510-V535 HydrophobicContact CG2-CG2 4.2Å; E511-V535 HydrophobicContact CB-CG1 4.1Å; R522-V535 HydrophobicContact CG-CG2 4.29Å; S533-V535 PolarHBondContact O-N 3.47Å; S533-V535 PolarHBondContact OG-N 2.91Å; V535-F537 PolarHBondContact O-N 2.85Å; V535-L538 HydrophobicContact CB-CD1 4.31Å; V535-L538 HydrophobicContact CG1-CD1 4.39Å; V535-L538 WeakPolarHBondContact O-CA 3.47Å; V535-L538 WeakPolarHBondContact O-CB 3.45Å; V535-L538 PolarHBondContact O-N 3.27Å; V535-A539 PolarHBondContact O-N 3.04Å
536	S	91.1	Very high	86.3	Confident	16 Å²	16	52.9 Å²	52.9	11%	0.112	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-56.2	-32.9	179.6	-67.9	0	0	0	0	114	D532 S533 L538 A539 N542	D532-S536 WeakPolarHBondContact CA-OG 3.34Å; D532-S536 WeakPolarHBondContact OD1-CB 3.39Å; D532-S536 PolarHBondContact OD1-OG 2.77Å; S533-S536 PolarHBondContact N-OG 2.85Å; S533-S536 PolarHBondContact O-N 2.81Å; S533-S536 PolarHBondContact O-OG 3.34Å; S533-S536 PolarHBondContact OG-N 2.89Å; S533-S536 PolarHBondContact OG-OG 2.59Å; S536-L538 PolarHBondContact O-N 3.11Å; S536-A539 WeakPolarHBondContact O-CB 3.49Å; S536-A539 PolarHBondContact O-N 2.88Å; S536-N542 PolarHBondContact O-ND2 3.01Å
537	F	93.9	Very high	86.2	Confident	123 Å²	123	47.1 Å²	47.1	54%	0.539	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-68	-20.6	176.7	71.4	-83.9	0	0	0	113.2	H514 P534 V535	H514-F537 AromaticContact CD2-CE2 3.94Å; H514-F537 AromaticContact CD2-CZ 3.72Å; H514-F537 AromaticContact NE2-CE2 3.54Å; H514-F537 AromaticContact NE2-CZ 3.75Å; P534-F537 WeakPolarHBondContact O-CE1 3.38Å; V535-F537 PolarHBondContact O-N 2.85Å
538	L	95.9	Very high	86.3	Confident	9 Å²	9	52 Å²	52	5%	0.047	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-90.1	-4.7	172.6	-58.9	173.1	0	0	0	112.5	T510 H514 R522 V535 S536 Q543	T510-L538 HydrophobicContact CG2-CB 4.41Å; T510-L538 HydrophobicContact CG2-CD1 3.74Å; H514-L538 HydrophobicContact CB-CD1 3.66Å; R522-L538 HydrophobicContact CB-CB 4.32Å; R522-L538 PolarHBondContact N-O 3.45Å; V535-L538 HydrophobicContact CB-CD1 4.31Å; V535-L538 HydrophobicContact CG1-CD1 4.39Å; V535-L538 WeakPolarHBondContact O-CA 3.47Å; V535-L538 WeakPolarHBondContact O-CB 3.45Å; V535-L538 PolarHBondContact O-N 3.27Å; S536-L538 PolarHBondContact O-N 3.11Å; L538-Q543 PolarHBondContact O-NE2 3.35Å
539	A	95.7	Very high	86.2	Confident	4 Å²	4	53.3 Å²	53.3	3%	0.033	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-72.3	133.7	-177.1	0	0	0	0	0	111.3	R522 V535 S536 H541 N542 Q543	R522-A539 CarbonylContact O-C 3.54Å; R522-A539 VanDerWaalsContact O-CA 3.28Å; R522-A539 WeakPolarHBondContact O-CA 3.2Å; V535-A539 PolarHBondContact O-N 3.04Å; S536-A539 WeakPolarHBondContact O-CB 3.49Å; S536-A539 PolarHBondContact O-N 2.88Å; A539-H541 WeakPolarHBondContact CB-CE1 3.48Å; A539-H541 PolarHBondContact O-N 2.79Å; A539-H541 VanDerWaalsContact O-N 3.08Å; A539-N542 PolarHBondContact O-N 3.42Å; A539-Q543 PolarHBondContact O-N 3.41Å
540	L	95.4	Very high	86.3	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-51.2	-41	-173.7	178.7	62.3	0	0	0	112.8	V521 R522 L523 N542 Q543 I544 E582 L585 L586	V521-L540 HydrophobicContact CG1-CB 3.87Å; V521-L540 HydrophobicContact CG1-CD1 3.87Å; V521-L540 HydrophobicContact CG1-CG 4.36Å; R522-L540 PolarHBondContact O-N 3.14Å; L523-L540 HydrophobicContact CD1-CB 4.37Å; L523-L540 HydrophobicContact CD1-CD2 3.51Å; L540-N542 VanDerWaalsContact C-N 3.32Å; L540-N542 PolarHBondContact O-N 2.92Å; L540-Q543 PolarHBondContact O-N 3.36Å; L540-I544 HydrophobicContact CD1-CD1 3.94Å; L540-I544 HydrophobicContact CD1-CG1 4.23Å; L540-I544 HydrophobicContact CG-CD1 3.85Å; L540-I544 WeakPolarHBondContact O-CD1 3.42Å; L540-I544 WeakPolarHBondContact O-CG1 3.35Å; L540-I544 PolarHBondContact O-N 3.17Å; L540-E582 HydrophobicContact CD2-CB 4.4Å; L540-E582 HydrophobicContact CD2-CG 4.08Å; L540-L585 HydrophobicContact CD1-CB 3.81Å; L540-L585 HydrophobicContact CD1-CD1 3.74Å; L540-L585 HydrophobicContact CD1-CG 4.45Å; L540-L586 HydrophobicContact CD1-CG 4.38Å; L540-L586 HydrophobicContact CD2-CD1 3.94Å; L540-L586 HydrophobicContact CD2-CD2 4.17Å; L540-L586 HydrophobicContact CD2-CG 4.08Å
541	H	91	Very high	87.1	Confident	14 Å²	14	52.8 Å²	52.8	7%	0.065	29%	0.286	C	S	.	.	H	α-helix	trans	-67	-29.4	-179.3	62.2	-88.4	0	0	0	113.5	S524 E529 A539 R545	S524-H541 PolarHBondContact OG-CE1 3.22Å; S524-H541 PolarHBondContact OG-ND1 2.82Å; E529-H541 HydrophobicContact CG-CB 4.02Å; E529-H541 PolarHBondContact O-NE2 2.87Å; A539-H541 WeakPolarHBondContact CB-CE1 3.48Å; A539-H541 PolarHBondContact O-N 2.79Å; A539-H541 VanDerWaalsContact O-N 3.08Å; H541-R545 WeakPolarHBondContact O-CG 3.29Å; H541-R545 PolarHBondContact O-N 2.96Å
542	N	91.7	Very high	87.8	Confident	38 Å²	38	55.4 Å²	55.4	20%	0.203	30%	0.298	C	S	.	.	H	α-helix	trans	-85.6	-37.7	176.2	-67.8	-30.9	0	0	0	111.8	S536 A539 L540 I544 R545 N546	S536-N542 PolarHBondContact O-ND2 3.01Å; A539-N542 PolarHBondContact O-N 3.42Å; L540-N542 VanDerWaalsContact C-N 3.32Å; L540-N542 PolarHBondContact O-N 2.92Å; N542-I544 VanDerWaalsContact C-N 3.28Å; N542-I544 PolarHBondContact O-N 3.03Å; N542-R545 WeakPolarHBondContact O-CB 3.49Å; N542-R545 PolarHBondContact O-N 3.38Å; N542-R545 VanDerWaalsContact O-N 3.15Å; N542-N546 PolarHBondContact O-N 3.04Å; N542-N546 VanDerWaalsContact O-N 3.12Å
543	Q	92.8	Very high	88.5	Confident	41 Å²	41	49.3 Å²	49.3	19%	0.192	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-42	170.9	-70.6	-177.3	-9	0	0	111.3	V520 L538 A539 L540 R545 N546 M547 L585	V520-Q543 PolarHBondContact O-NE2 3.06Å; V520-Q543 VanDerWaalsContact O-NE2 3.11Å; L538-Q543 PolarHBondContact O-NE2 3.35Å; A539-Q543 PolarHBondContact O-N 3.41Å; L540-Q543 PolarHBondContact O-N 3.36Å; Q543-R545 PolarHBondContact O-N 2.92Å; Q543-N546 CarbonylContact O-C 3.42Å; Q543-N546 PolarHBondContact O-N 3.02Å; Q543-N546 VanDerWaalsContact O-N 3.15Å; Q543-M547 WeakPolarHBondContact O-CG 3.38Å; Q543-M547 PolarHBondContact O-N 3.4Å; Q543-L585 HydrophobicContact CB-CD1 3.76Å
544	I	90.9	Very high	88.7	Confident	10 Å²	10	50.7 Å²	50.7	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-39	175.3	-68.3	165.5	0	0	0	112.5	L540 N542 N546 M547 L553 K578 A581 E582 L585	L540-I544 HydrophobicContact CD1-CD1 3.94Å; L540-I544 HydrophobicContact CD1-CG1 4.23Å; L540-I544 HydrophobicContact CG-CD1 3.85Å; L540-I544 WeakPolarHBondContact O-CD1 3.42Å; L540-I544 WeakPolarHBondContact O-CG1 3.35Å; L540-I544 PolarHBondContact O-N 3.17Å; N542-I544 VanDerWaalsContact C-N 3.28Å; N542-I544 PolarHBondContact O-N 3.03Å; I544-N546 PolarHBondContact O-N 3.16Å; I544-M547 PolarHBondContact O-N 3.22Å; I544-L553 HydrophobicContact CG2-CD2 3.65Å; I544-K578 HydrophobicContact CD1-CG 4.45Å; I544-A581 HydrophobicContact CD1-CB 4.43Å; I544-A581 HydrophobicContact CG1-CB 4Å; I544-A581 HydrophobicContact CG2-CB 3.94Å; I544-E582 HydrophobicContact CD1-CB 4.27Å; I544-E582 HydrophobicContact CD1-CG 3.4Å; I544-L585 HydrophobicContact CG1-CD1 3.61Å
545	R	85.9	Confident	88.9	Confident	106 Å²	106	52.7 Å²	52.7	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-32.6	175.2	-81.3	173.4	149.5	171	-10.9	111.7	H541 N542 Q543 Q557 D561	H541-R545 WeakPolarHBondContact O-CG 3.29Å; H541-R545 PolarHBondContact O-N 2.96Å; N542-R545 WeakPolarHBondContact O-CB 3.49Å; N542-R545 PolarHBondContact O-N 3.38Å; N542-R545 VanDerWaalsContact O-N 3.15Å; Q543-R545 PolarHBondContact O-N 2.92Å; R545-Q557 HydrophobicContact CG-CG 4.23Å; R545-D561 IonicContact CZ-OD2 3.55Å; R545-D561 IonicContact NE-OD2 3.38Å; R545-D561 IonicContact NH2-OD1 2.71Å; R545-D561 PolarHBondContact NH2-OD1 3.46Å; R545-D561 IonicContact NH2-OD2 3.56Å; R545-D561 PolarHBondContact NH2-OD2 2.94Å
546	N	84.3	Confident	88.6	Confident	123 Å²	123	53.3 Å²	53.3	66%	0.658	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	16.1	-179.2	-58.6	-1.8	0	0	0	113.4	N542 Q543 I544 D548	N542-N546 PolarHBondContact O-N 3.04Å; N542-N546 VanDerWaalsContact O-N 3.12Å; Q543-N546 CarbonylContact O-C 3.42Å; Q543-N546 PolarHBondContact O-N 3.02Å; Q543-N546 VanDerWaalsContact O-N 3.15Å; I544-N546 PolarHBondContact O-N 3.16Å; N546-D548 PolarHBondContact O-N 2.86Å
547	M	81.1	Confident	88.4	Confident	20 Å²	20	53.8 Å²	53.8	10%	0.099	27%	0.269	C	S	.	.			trans	-87.9	98.7	174.9	-77.8	-176.9	96	0	0	112.1	Q543 I544 S549 I550 Q554 A581 E584 L585	Q543-M547 WeakPolarHBondContact O-CG 3.38Å; Q543-M547 PolarHBondContact O-N 3.4Å; I544-M547 PolarHBondContact O-N 3.22Å; M547-S549 PolarHBondContact O-N 3.25Å; M547-I550 PolarHBondContact O-N 3.23Å; M547-Q554 PolarHBondContact O-NE2 2.8Å; M547-A581 HydrophobicContact SD-CB 3.88Å; M547-E584 HydrophobicContact CE-CG 4.34Å; M547-L585 HydrophobicContact CE-CD2 3.95Å; M547-L585 HydrophobicContact CE-CG 3.98Å; M547-L585 HydrophobicContact CG-CD1 4.36Å; M547-L585 HydrophobicContact SD-CD1 3.6Å; M547-L585 VanDerWaalsContact SD-CD1 3.6Å; M547-L585 HydrophobicContact SD-CD2 3.98Å; M547-L585 HydrophobicContact SD-CG 3.66Å
548	D	81.1	Confident	88	Confident	129 Å²	129	53.5 Å²	53.5	69%	0.69	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.2	173	-61.4	-38.1	0	0	0	113.8	N546 I550 Q554	N546-D548 PolarHBondContact O-N 2.86Å; D548-I550 PolarHBondContact O-N 3.23Å; D548-Q554 PolarHBondContact OD1-NE2 2.99Å
549	S	79.1	Confident	87.5	Confident	77 Å²	77	56.5 Å²	56.5	54%	0.538	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.8	177.8	58.5	0	0	0	0	114	M547	M547-S549 PolarHBondContact O-N 3.25Å
550	I	84.6	Confident	86.8	Confident	24 Å²	24	58.5 Å²	58.5	12%	0.123	29%	0.293	C	S	.	.			trans	-130.7	72.1	-179.5	-45.7	-178.5	0	0	0	110.3	M547 D548 E552 L553 Q554 L577 A581	M547-I550 PolarHBondContact O-N 3.23Å; D548-I550 PolarHBondContact O-N 3.23Å; I550-E552 PolarHBondContact O-N 3.05Å; I550-E552 VanDerWaalsContact O-N 3.13Å; I550-L553 HydrophobicContact CB-CB 4.11Å; I550-L553 HydrophobicContact CG2-CB 3.66Å; I550-L553 WeakPolarHBondContact O-CB 3.45Å; I550-L553 PolarHBondContact O-N 3.49Å; I550-Q554 PolarHBondContact O-N 3.44Å; I550-L577 HydrophobicContact CG2-CD2 4.12Å; I550-A581 HydrophobicContact CD1-CB 4.04Å
551	P	86.4	Confident	86	Confident	72 Å²	72	62.6 Å²	62.6	47%	0.468	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-19.9	-175.9	25.8	-35.5	0	0	0	113.8	K555	P551-K555 WeakPolarHBondContact O-CG 3.47Å; P551-K555 PolarHBondContact O-N 3.3Å; P551-K555 VanDerWaalsContact O-N 3.1Å
552	E	88.5	Confident	85.5	Confident	77 Å²	77	67.5 Å²	67.5	36%	0.36	34%	0.338	S	S	.	.	H	α-helix	trans	-67.3	-36.1	170.6	-165.6	-171.4	164.1	0	0	111.9	I550 L556 R573 L577	I550-E552 PolarHBondContact O-N 3.05Å; I550-E552 VanDerWaalsContact O-N 3.13Å; E552-L556 HydrophobicContact CG-CD1 4.43Å; E552-L556 WeakPolarHBondContact O-CG 3.24Å; E552-L556 PolarHBondContact O-N 3.49Å; E552-L556 VanDerWaalsContact O-N 3.08Å; E552-R573 WeakPolarHBondContact OE1-CG 3.35Å; E552-R573 IonicContact OE1-CZ 2.63Å; E552-R573 IonicContact OE1-NE 2.87Å; E552-R573 PolarHBondContact OE1-NE 3.45Å; E552-R573 IonicContact OE1-NH2 2.96Å; E552-R573 PolarHBondContact OE1-NH2 3.48Å; E552-R573 IonicContact OE2-CZ 3.83Å; E552-R573 IonicContact OE2-NE 3.18Å; E552-R573 IonicContact OE2-NH2 3.92Å; E552-R573 PolarHBondContact OE2-NH2 3.05Å; E552-L577 HydrophobicContact CB-CD1 4Å; E552-L577 HydrophobicContact CG-CD1 3.81Å
553	L	89.5	Confident	84.7	Confident	7 Å²	7	69.8 Å²	69.8	4%	0.037	35%	0.353	C	S	.	.	H	α-helix	trans	-71.3	-39	176.3	-179.4	58.1	0	0	0	111	I544 I550 L556 Q557 Y574 L577 K578 A581	I544-L553 HydrophobicContact CG2-CD2 3.65Å; I550-L553 HydrophobicContact CB-CB 4.11Å; I550-L553 HydrophobicContact CG2-CB 3.66Å; I550-L553 WeakPolarHBondContact O-CB 3.45Å; I550-L553 PolarHBondContact O-N 3.49Å; L553-L556 PolarHBondContact O-N 2.94Å; L553-Q557 WeakPolarHBondContact O-CB 3.34Å; L553-Q557 PolarHBondContact O-N 3.19Å; L553-Y574 HydrophobicContact CD1-CD2 3.64Å; L553-Y574 HydrophobicContact CD1-CE2 3.77Å; L553-L577 HydrophobicContact CB-CB 4.17Å; L553-L577 HydrophobicContact CB-CD1 4.44Å; L553-L577 HydrophobicContact CD1-CB 4.04Å; L553-L577 HydrophobicContact CD2-CB 4.49Å; L553-L577 HydrophobicContact CG-CB 4.46Å; L553-K578 HydrophobicContact CD1-CB 4.2Å; L553-A581 HydrophobicContact CD2-CB 3.87Å
554	Q	86.6	Confident	83.4	Confident	62 Å²	62	70.3 Å²	70.3	29%	0.29	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-48.2	172.8	-70.1	177.6	-32.7	0	0	111.3	M547 D548 I550 L556 Q557 Q558	M547-Q554 PolarHBondContact O-NE2 2.8Å; D548-Q554 PolarHBondContact OD1-NE2 2.99Å; I550-Q554 PolarHBondContact O-N 3.44Å; Q554-L556 PolarHBondContact O-N 3.39Å; Q554-Q557 PolarHBondContact O-N 2.88Å; Q554-Q558 WeakPolarHBondContact O-CB 3.38Å; Q554-Q558 PolarHBondContact O-N 3.47Å
555	K	88.6	Confident	82.7	Confident	152 Å²	152	76.5 Å²	76.5	66%	0.661	40%	0.399	S	S	*	.	H	α-helix	trans	-60.3	-44.7	177.1	-73	176	-179.4	-175.7	0	113.1	P551 Q557 Q558 L559	P551-K555 WeakPolarHBondContact O-CG 3.47Å; P551-K555 PolarHBondContact O-N 3.3Å; P551-K555 VanDerWaalsContact O-N 3.1Å; K555-Q557 VanDerWaalsContact C-N 3.34Å; K555-Q558 PolarHBondContact O-N 2.99Å; K555-L559 WeakPolarHBondContact O-CB 3.47Å; K555-L559 PolarHBondContact O-N 2.95Å
556	L	87.6	Confident	82.3	Confident	15 Å²	15	72.7 Å²	72.7	8%	0.079	39%	0.386	C	S	.	.	H	α-helix	trans	-69.3	-31.7	177.4	-71.4	170.7	0	0	0	112.5	E552 L553 Q554 K560 D570 R573 Y574 L577	E552-L556 HydrophobicContact CG-CD1 4.43Å; E552-L556 WeakPolarHBondContact O-CG 3.24Å; E552-L556 PolarHBondContact O-N 3.49Å; E552-L556 VanDerWaalsContact O-N 3.08Å; L553-L556 PolarHBondContact O-N 2.94Å; Q554-L556 PolarHBondContact O-N 3.39Å; L556-K560 VanDerWaalsContact O-CB 3.27Å; L556-K560 WeakPolarHBondContact O-CB 3.31Å; L556-K560 PolarHBondContact O-N 2.74Å; L556-K560 VanDerWaalsContact O-N 3.11Å; L556-D570 HydrophobicContact CD2-CB 3.89Å; L556-R573 HydrophobicContact CD1-CB 4.21Å; L556-R573 HydrophobicContact CD1-CG 3.89Å; L556-Y574 HydrophobicContact CB-CD2 4.03Å; L556-L577 HydrophobicContact CD1-CD1 3.95Å
557	Q	86	Confident	82.3	Confident	26 Å²	26	69.2 Å²	69.2	12%	0.121	37%	0.371	C	S	.	.	H	α-helix	trans	-70.4	-44.5	173.5	-178.8	62.5	57.8	0	0	111.4	R545 L553 Q554 K555 K560 D561 Y574	R545-Q557 HydrophobicContact CG-CG 4.23Å; L553-Q557 WeakPolarHBondContact O-CB 3.34Å; L553-Q557 PolarHBondContact O-N 3.19Å; Q554-Q557 PolarHBondContact O-N 2.88Å; K555-Q557 VanDerWaalsContact C-N 3.34Å; Q557-K560 PolarHBondContact O-N 2.94Å; Q557-D561 PolarHBondContact NE2-OD1 3.24Å; Q557-D561 VanDerWaalsContact NE2-OD1 3.07Å; Q557-D561 PolarHBondContact NE2-OD2 3Å; Q557-D561 PolarHBondContact O-N 2.95Å; Q557-Y574 HydrophobicContact CB-CE2 4.21Å; Q557-Y574 VanDerWaalsContact OE1-CE2 3.26Å; Q557-Y574 PolarHBondContact OE1-OH 3.47Å
558	Q	85.6	Confident	82.3	Confident	116 Å²	116	73.6 Å²	73.6	54%	0.542	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-51.1	175.3	178.3	179.3	-4.9	0	0	110.9	Q554 K555 K560 D561 E562	Q554-Q558 WeakPolarHBondContact O-CB 3.38Å; Q554-Q558 PolarHBondContact O-N 3.47Å; K555-Q558 PolarHBondContact O-N 2.99Å; Q558-K560 PolarHBondContact O-N 2.96Å; Q558-D561 CarbonylContact O-C 3.6Å; Q558-D561 PolarHBondContact O-N 3.49Å; Q558-E562 HydrophobicContact CG-CG 4.41Å; Q558-E562 VanDerWaalsContact CG-OE1 3.27Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.25Å; Q558-E562 PolarHBondContact NE2-OE1 3.19Å; Q558-E562 WeakPolarHBondContact O-CG 3.34Å; Q558-E562 PolarHBondContact O-N 3.48Å
559	L	84.8	Confident	82.6	Confident	72 Å²	72	71 Å²	71	38%	0.377	40%	0.396	S	S	.	.	H	α-helix	trans	-53.7	-45	176.7	-179.1	62.8	0	0	0	110.7	K555 E562 T563 L566	K555-L559 WeakPolarHBondContact O-CB 3.47Å; K555-L559 PolarHBondContact O-N 2.95Å; L559-E562 PolarHBondContact O-N 3.44Å; L559-T563 HydrophobicContact CD1-CG2 3.92Å; L559-T563 PolarHBondContact O-N 2.62Å; L559-T563 PolarHBondContact O-OG1 2.85Å; L559-L566 HydrophobicContact CB-CD2 4.1Å; L559-L566 HydrophobicContact CD2-CD2 3.74Å; L559-L566 HydrophobicContact CG-CD2 3.77Å
560	K	81.1	Confident	83	Confident	47 Å²	47	70 Å²	70	20%	0.204	39%	0.385	C	S	.	.	H	α-helix	trans	-65	-37	177.6	-170.1	168.1	-170.8	161.2	0	114.2	L556 Q557 Q558 E562 G564 L566 E571 Y574	L556-K560 VanDerWaalsContact O-CB 3.27Å; L556-K560 WeakPolarHBondContact O-CB 3.31Å; L556-K560 PolarHBondContact O-N 2.74Å; L556-K560 VanDerWaalsContact O-N 3.11Å; Q557-K560 PolarHBondContact O-N 2.94Å; Q558-K560 PolarHBondContact O-N 2.96Å; K560-E562 VanDerWaalsContact C-N 3.29Å; K560-G564 CarbonylContact O-C 3.43Å; K560-G564 WeakPolarHBondContact O-CA 3.33Å; K560-G564 PolarHBondContact O-N 3.29Å; K560-L566 HydrophobicContact CB-CD1 4.07Å; K560-L566 HydrophobicContact CB-CD2 3.99Å; K560-L566 HydrophobicContact CB-CG 3.79Å; K560-L566 HydrophobicContact CD-CD1 3.95Å; K560-L566 HydrophobicContact CD-CG 4.06Å; K560-L566 HydrophobicContact CG-CD1 4.37Å; K560-L566 HydrophobicContact CG-CG 4.02Å; K560-E571 VanDerWaalsContact NZ-CD 3.31Å; K560-E571 IonicContact NZ-OE1 3.49Å; K560-E571 PolarHBondContact NZ-OE1 2.93Å; K560-E571 IonicContact NZ-OE2 2.75Å; K560-E571 PolarHBondContact NZ-OE2 3.03Å; K560-Y574 HydrophobicContact CD-CE1 4.39Å
561	D	79.9	Confident	82.9	Confident	86 Å²	86	70.4 Å²	70.4	46%	0.46	39%	0.386	S	S	.	.	H	α-helix	trans	-76.8	-18.7	176.7	-69.7	-29.3	0	0	0	111.5	R545 Q557 Q558	R545-D561 IonicContact CZ-OD2 3.55Å; R545-D561 IonicContact NE-OD2 3.38Å; R545-D561 IonicContact NH2-OD1 2.71Å; R545-D561 PolarHBondContact NH2-OD1 3.46Å; R545-D561 IonicContact NH2-OD2 3.56Å; R545-D561 PolarHBondContact NH2-OD2 2.94Å; Q557-D561 PolarHBondContact NE2-OD1 3.24Å; Q557-D561 VanDerWaalsContact NE2-OD1 3.07Å; Q557-D561 PolarHBondContact NE2-OD2 3Å; Q557-D561 PolarHBondContact O-N 2.95Å; Q558-D561 CarbonylContact O-C 3.6Å; Q558-D561 PolarHBondContact O-N 3.49Å
562	E	79.1	Confident	83	Confident	118 Å²	118	74.9 Å²	74.9	55%	0.551	40%	0.398	S	S	*	.	H	α-helix	trans	-86.3	-43.8	173.3	-73.6	174.3	-171.9	0	0	113.6	Q558 L559 K560	Q558-E562 HydrophobicContact CG-CG 4.41Å; Q558-E562 VanDerWaalsContact CG-OE1 3.27Å; Q558-E562 WeakPolarHBondContact CG-OE1 3.25Å; Q558-E562 PolarHBondContact NE2-OE1 3.19Å; Q558-E562 WeakPolarHBondContact O-CG 3.34Å; Q558-E562 PolarHBondContact O-N 3.48Å; L559-E562 PolarHBondContact O-N 3.44Å; K560-E562 VanDerWaalsContact C-N 3.29Å
563	T	74.6	Confident	83.1	Confident	85 Å²	85	76.9 Å²	76.9	52%	0.521	40%	0.402	S	S	.	.	H	α-helix	trans	-97.3	-11	-177.7	60.6	0	0	0	0	114.3	L559 E565	L559-T563 HydrophobicContact CD1-CG2 3.92Å; L559-T563 PolarHBondContact O-N 2.62Å; L559-T563 PolarHBondContact O-OG1 2.85Å; T563-E565 PolarHBondContact O-N 3.03Å; T563-E565 PolarHBondContact OG1-O 2.99Å
564	G	67.1	Low	83.1	Confident	52 Å²	52	77.4 Å²	77.4	54%	0.536	40%	0.404	S	S	.	.	S	Bend	trans	76.2	-41.2	-173.7	0	0	0	0	0	114.2	K560	K560-G564 CarbonylContact O-C 3.43Å; K560-G564 WeakPolarHBondContact O-CA 3.33Å; K560-G564 PolarHBondContact O-N 3.29Å
565	E	74.4	Confident	83.3	Confident	141 Å²	141	81 Å²	81	66%	0.659	42%	0.415	S	S	*	.	S	Bend	trans	-127.1	150	179.7	-63	-170.6	-176	0	0	112.1	T563	T563-E565 PolarHBondContact O-N 3.03Å; T563-E565 PolarHBondContact OG1-O 2.99Å
566	L	79.3	Confident	83.4	Confident	26 Å²	26	76 Å²	76	14%	0.136	40%	0.402	C	S	.	.			trans	-106.5	157	177.9	-73.7	-179.2	0	0	0	110.9	L559 K560 D570 E571 Y574	L559-L566 HydrophobicContact CB-CD2 4.1Å; L559-L566 HydrophobicContact CD2-CD2 3.74Å; L559-L566 HydrophobicContact CG-CD2 3.77Å; K560-L566 HydrophobicContact CB-CD1 4.07Å; K560-L566 HydrophobicContact CB-CD2 3.99Å; K560-L566 HydrophobicContact CB-CG 3.79Å; K560-L566 HydrophobicContact CD-CD1 3.95Å; K560-L566 HydrophobicContact CD-CG 4.06Å; K560-L566 HydrophobicContact CG-CD1 4.37Å; K560-L566 HydrophobicContact CG-CG 4.02Å; L566-D570 HydrophobicContact CB-CB 4.06Å; L566-D570 HydrophobicContact CD1-CB 4.36Å; L566-D570 HydrophobicContact CD2-CB 4.32Å; L566-D570 HydrophobicContact CG-CB 4.49Å; L566-E571 HydrophobicContact CB-CB 4.04Å; L566-Y574 HydrophobicContact CD1-CD2 4.36Å; L566-Y574 HydrophobicContact CD1-CG 4.01Å
567	S	83.1	Confident	83.7	Confident	49 Å²	49	76.2 Å²	76.2	34%	0.343	40%	0.403	S	S	.	.			trans	-59	159.4	170.5	85.1	0	0	0	0	111.5	S569 D570 E571	S567-S569 PolarHBondContact O-N 2.63Å; S567-S569 PolarHBondContact OG-OG 2.74Å; S567-D570 WeakPolarHBondContact CB-OD2 3.33Å; S567-D570 PolarHBondContact O-N 2.94Å; S567-D570 VanDerWaalsContact O-N 3.07Å; S567-D570 WeakPolarHBondContact OG-CB 3.46Å; S567-D570 PolarHBondContact OG-N 2.87Å; S567-D570 VanDerWaalsContact OG-N 3.09Å; S567-D570 PolarHBondContact OG-OD2 2.96Å; S567-E571 WeakPolarHBondContact O-CB 3.48Å; S567-E571 PolarHBondContact O-N 2.91Å
568	S	80.8	Confident	83.9	Confident	112 Å²	112	76.5 Å²	76.5	78%	0.783	40%	0.404	S	S	*	.	H	α-helix	trans	-63	-29.9	-179	60	0	0	0	0	113.3	K572	S568-K572 VanDerWaalsContact O-CB 3.31Å; S568-K572 WeakPolarHBondContact O-CB 3.29Å; S568-K572 PolarHBondContact O-N 2.79Å
569	S	87.2	Confident	84.2	Confident	76 Å²	76	78.8 Å²	78.8	53%	0.531	41%	0.407	S	S	.	.	H	α-helix	trans	-69.5	-46.6	169.1	27.4	0	0	0	0	112.3	S567 K572 R573	S567-S569 PolarHBondContact O-N 2.63Å; S567-S569 PolarHBondContact OG-OG 2.74Å; S569-K572 WeakPolarHBondContact O-CB 3.24Å; S569-K572 PolarHBondContact O-N 2.81Å; S569-R573 PolarHBondContact O-N 3.45Å
570	D	87.6	Confident	84.5	Confident	56 Å²	56	79 Å²	79	30%	0.299	41%	0.412	S	S	.	.	H	α-helix	trans	-72.5	-40.8	-174.8	-64.4	-39.6	0	0	0	111.7	L556 L566 S567 K572 R573 Y574	L556-D570 HydrophobicContact CD2-CB 3.89Å; L566-D570 HydrophobicContact CB-CB 4.06Å; L566-D570 HydrophobicContact CD1-CB 4.36Å; L566-D570 HydrophobicContact CD2-CB 4.32Å; L566-D570 HydrophobicContact CG-CB 4.49Å; S567-D570 WeakPolarHBondContact CB-OD2 3.33Å; S567-D570 PolarHBondContact O-N 2.94Å; S567-D570 VanDerWaalsContact O-N 3.07Å; S567-D570 WeakPolarHBondContact OG-CB 3.46Å; S567-D570 PolarHBondContact OG-N 2.87Å; S567-D570 VanDerWaalsContact OG-N 3.09Å; S567-D570 PolarHBondContact OG-OD2 2.96Å; D570-K572 VanDerWaalsContact C-N 3.27Å; D570-K572 PolarHBondContact O-N 3.04Å; D570-R573 PolarHBondContact O-N 2.87Å; D570-Y574 WeakPolarHBondContact O-CB 3.3Å; D570-Y574 PolarHBondContact O-N 2.92Å
571	E	83.4	Confident	85.1	Confident	32 Å²	32	76.8 Å²	76.8	15%	0.15	40%	0.402	C	S	.	.	H	α-helix	trans	-63	-34.9	172.9	-179	63.1	-176.2	0	0	111.2	K560 L566 S567 R575	K560-E571 VanDerWaalsContact NZ-CD 3.31Å; K560-E571 IonicContact NZ-OE1 3.49Å; K560-E571 PolarHBondContact NZ-OE1 2.93Å; K560-E571 IonicContact NZ-OE2 2.75Å; K560-E571 PolarHBondContact NZ-OE2 3.03Å; L566-E571 HydrophobicContact CB-CB 4.04Å; S567-E571 WeakPolarHBondContact O-CB 3.48Å; S567-E571 PolarHBondContact O-N 2.91Å; E571-R575 VanDerWaalsContact O-CB 3.26Å; E571-R575 WeakPolarHBondContact O-CB 3.38Å; E571-R575 WeakPolarHBondContact O-CD 3.45Å; E571-R575 WeakPolarHBondContact O-CG 3.4Å; E571-R575 PolarHBondContact O-N 3.24Å; E571-R575 IonicContact OE1-CZ 3.16Å; E571-R575 IonicContact OE1-NE 2.91Å; E571-R575 PolarHBondContact OE1-NE 3.34Å; E571-R575 IonicContact OE1-NH2 2.72Å; E571-R575 PolarHBondContact OE1-NH2 2.85Å
572	K	88.8	Confident	85.8	Confident	166 Å²	166	73.5 Å²	73.5	72%	0.722	38%	0.384	S	S	*	.	H	α-helix	trans	-68.1	-41.2	173.7	-176.3	179.6	178.7	-177.6	0	111.4	S568 S569 D570 A576	S568-K572 VanDerWaalsContact O-CB 3.31Å; S568-K572 WeakPolarHBondContact O-CB 3.29Å; S568-K572 PolarHBondContact O-N 2.79Å; S569-K572 WeakPolarHBondContact O-CB 3.24Å; S569-K572 PolarHBondContact O-N 2.81Å; D570-K572 VanDerWaalsContact C-N 3.27Å; D570-K572 PolarHBondContact O-N 3.04Å; K572-A576 PolarHBondContact O-N 3.27Å; K572-A576 VanDerWaalsContact O-N 3.16Å
573	R	90.9	Very high	86.5	Confident	119 Å²	119	75.3 Å²	75.3	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-69.1	-48.2	176.9	-174.7	62.2	177.7	178.8	2.9	111.7	E552 L556 S569 D570 R575 A576 L577	E552-R573 WeakPolarHBondContact OE1-CG 3.35Å; E552-R573 IonicContact OE1-CZ 2.63Å; E552-R573 IonicContact OE1-NE 2.87Å; E552-R573 PolarHBondContact OE1-NE 3.45Å; E552-R573 IonicContact OE1-NH2 2.96Å; E552-R573 PolarHBondContact OE1-NH2 3.48Å; E552-R573 IonicContact OE2-CZ 3.83Å; E552-R573 IonicContact OE2-NE 3.18Å; E552-R573 IonicContact OE2-NH2 3.92Å; E552-R573 PolarHBondContact OE2-NH2 3.05Å; L556-R573 HydrophobicContact CD1-CB 4.21Å; L556-R573 HydrophobicContact CD1-CG 3.89Å; S569-R573 PolarHBondContact O-N 3.45Å; D570-R573 PolarHBondContact O-N 2.87Å; R573-R575 PolarHBondContact O-N 3.34Å; R573-A576 WeakPolarHBondContact O-CB 3.48Å; R573-A576 PolarHBondContact O-N 3.02Å; R573-L577 HydrophobicContact CG-CD1 4.09Å; R573-L577 WeakPolarHBondContact O-CG 3.48Å; R573-L577 PolarHBondContact O-N 2.8Å
574	Y	89.4	Confident	87.4	Confident	17 Å²	17	74.9 Å²	74.9	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-53	-49.1	172.6	172.3	-95.4	0	0	0	111.6	L553 L556 Q557 K560 L566 D570 A576 L577 K578	L553-Y574 HydrophobicContact CD1-CD2 3.64Å; L553-Y574 HydrophobicContact CD1-CE2 3.77Å; L556-Y574 HydrophobicContact CB-CD2 4.03Å; Q557-Y574 HydrophobicContact CB-CE2 4.21Å; Q557-Y574 VanDerWaalsContact OE1-CE2 3.26Å; Q557-Y574 PolarHBondContact OE1-OH 3.47Å; K560-Y574 HydrophobicContact CD-CE1 4.39Å; L566-Y574 HydrophobicContact CD1-CD2 4.36Å; L566-Y574 HydrophobicContact CD1-CG 4.01Å; D570-Y574 WeakPolarHBondContact O-CB 3.3Å; D570-Y574 PolarHBondContact O-N 2.92Å; Y574-A576 VanDerWaalsContact C-N 3.29Å; Y574-A576 PolarHBondContact O-N 3.25Å; Y574-L577 PolarHBondContact O-N 3.33Å; Y574-K578 HydrophobicContact CE1-CD 4.2Å; Y574-K578 VanDerWaalsContact O-CB 3.31Å; Y574-K578 WeakPolarHBondContact O-CB 3.44Å; Y574-K578 PolarHBondContact O-N 2.75Å
575	R	89.3	Confident	88.7	Confident	139 Å²	139	74 Å²	74	53%	0.525	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-32.1	176.2	-75.5	173	-172.6	-173.9	9.7	113.2	E571 R573 R579	E571-R575 VanDerWaalsContact O-CB 3.26Å; E571-R575 WeakPolarHBondContact O-CB 3.38Å; E571-R575 WeakPolarHBondContact O-CD 3.45Å; E571-R575 WeakPolarHBondContact O-CG 3.4Å; E571-R575 PolarHBondContact O-N 3.24Å; E571-R575 IonicContact OE1-CZ 3.16Å; E571-R575 IonicContact OE1-NE 2.91Å; E571-R575 PolarHBondContact OE1-NE 3.34Å; E571-R575 IonicContact OE1-NH2 2.72Å; E571-R575 PolarHBondContact OE1-NH2 2.85Å; R573-R575 PolarHBondContact O-N 3.34Å; R575-R579 WeakPolarHBondContact O-CB 3.35Å; R575-R579 VanDerWaalsContact O-CD 3.3Å; R575-R579 WeakPolarHBondContact O-CD 3.4Å; R575-R579 WeakPolarHBondContact O-CG 3.23Å; R575-R579 PolarHBondContact O-N 3.49Å
576	A	92.2	Very high	89.7	Confident	46 Å²	46	67.4 Å²	67.4	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-70.9	-49.6	175	0	0	0	0	0	111.3	K572 R573 Y574 R579 T580	K572-A576 PolarHBondContact O-N 3.27Å; K572-A576 VanDerWaalsContact O-N 3.16Å; R573-A576 WeakPolarHBondContact O-CB 3.48Å; R573-A576 PolarHBondContact O-N 3.02Å; Y574-A576 VanDerWaalsContact C-N 3.29Å; Y574-A576 PolarHBondContact O-N 3.25Å; A576-R579 PolarHBondContact O-N 2.72Å; A576-T580 PolarHBondContact O-N 2.91Å; A576-T580 VanDerWaalsContact O-N 3.15Å; A576-T580 PolarHBondContact O-OG1 3.44Å
577	L	92.6	Very high	90.5	Very high	20 Å²	20	71.3 Å²	71.3	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-64.2	-44.9	179.1	-66.5	170.5	0	0	0	112.2	I550 E552 L553 L556 R573 Y574 R579 T580 A581	I550-L577 HydrophobicContact CG2-CD2 4.12Å; E552-L577 HydrophobicContact CB-CD1 4Å; E552-L577 HydrophobicContact CG-CD1 3.81Å; L553-L577 HydrophobicContact CB-CB 4.17Å; L553-L577 HydrophobicContact CB-CD1 4.44Å; L553-L577 HydrophobicContact CD1-CB 4.04Å; L553-L577 HydrophobicContact CD2-CB 4.49Å; L553-L577 HydrophobicContact CG-CB 4.46Å; L556-L577 HydrophobicContact CD1-CD1 3.95Å; R573-L577 HydrophobicContact CG-CD1 4.09Å; R573-L577 WeakPolarHBondContact O-CG 3.48Å; R573-L577 PolarHBondContact O-N 2.8Å; Y574-L577 PolarHBondContact O-N 3.33Å; L577-R579 VanDerWaalsContact C-N 3.29Å; L577-R579 PolarHBondContact O-N 3.01Å; L577-T580 WeakPolarHBondContact O-CB 3.44Å; L577-T580 PolarHBondContact O-N 2.84Å; L577-A581 PolarHBondContact O-N 2.98Å
578	K	91.3	Very high	91	Very high	31 Å²	31	73.6 Å²	73.6	14%	0.135	36%	0.357	C	S	.	.	H	α-helix	trans	-58.8	-39.3	175.3	-177.4	163.5	178.7	169.4	0	111.4	E529 I544 L553 Y574 T580 A581 E582	E529-K578 IonicContact OE2-NZ 2.84Å; I544-K578 HydrophobicContact CD1-CG 4.45Å; L553-K578 HydrophobicContact CD1-CB 4.2Å; Y574-K578 HydrophobicContact CE1-CD 4.2Å; Y574-K578 VanDerWaalsContact O-CB 3.31Å; Y574-K578 WeakPolarHBondContact O-CB 3.44Å; Y574-K578 PolarHBondContact O-N 2.75Å; K578-T580 VanDerWaalsContact C-N 3.32Å; K578-T580 PolarHBondContact O-N 2.93Å; K578-A581 PolarHBondContact O-N 3.15Å; K578-E582 HydrophobicContact CG-CG 4.19Å; K578-E582 VanDerWaalsContact O-CB 3.31Å; K578-E582 WeakPolarHBondContact O-CB 3.49Å; K578-E582 WeakPolarHBondContact O-CG 3.35Å; K578-E582 PolarHBondContact O-N 2.96Å
579	R	91.6	Very high	91.8	Very high	165 Å²	165	68.7 Å²	68.7	62%	0.623	32%	0.323	S	S	*	.	H	α-helix	trans	-66.7	-29.3	174.6	-76.8	169.9	177.7	174.4	-2.3	113.7	R575 A576 L577 R583	R575-R579 WeakPolarHBondContact O-CB 3.35Å; R575-R579 VanDerWaalsContact O-CD 3.3Å; R575-R579 WeakPolarHBondContact O-CD 3.4Å; R575-R579 WeakPolarHBondContact O-CG 3.23Å; R575-R579 PolarHBondContact O-N 3.49Å; A576-R579 PolarHBondContact O-N 2.72Å; L577-R579 VanDerWaalsContact C-N 3.29Å; L577-R579 PolarHBondContact O-N 3.01Å; R579-R583 WeakPolarHBondContact O-CB 3.46Å; R579-R583 PolarHBondContact O-N 2.85Å
580	T	91.8	Very high	92.3	Very high	77 Å²	77	67.7 Å²	67.7	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-49.6	172.4	-58.2	0	0	0	0	110	A576 L577 K578 E582 R583 E584	A576-T580 PolarHBondContact O-N 2.91Å; A576-T580 VanDerWaalsContact O-N 3.15Å; A576-T580 PolarHBondContact O-OG1 3.44Å; L577-T580 WeakPolarHBondContact O-CB 3.44Å; L577-T580 PolarHBondContact O-N 2.84Å; K578-T580 VanDerWaalsContact C-N 3.32Å; K578-T580 PolarHBondContact O-N 2.93Å; T580-E582 PolarHBondContact O-N 2.84Å; T580-R583 PolarHBondContact O-N 3.32Å; T580-R583 VanDerWaalsContact O-N 3.17Å; T580-E584 WeakPolarHBondContact O-CB 3.31Å; T580-E584 PolarHBondContact O-N 2.93Å
581	A	93.1	Very high	92.9	Very high	0 Å²	0	65 Å²	65	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.7	-45.7	176.3	0	0	0	0	0	112.8	I544 M547 I550 L553 L577 K578 R583 E584 L585	I544-A581 HydrophobicContact CD1-CB 4.43Å; I544-A581 HydrophobicContact CG1-CB 4Å; I544-A581 HydrophobicContact CG2-CB 3.94Å; M547-A581 HydrophobicContact SD-CB 3.88Å; I550-A581 HydrophobicContact CD1-CB 4.04Å; L553-A581 HydrophobicContact CD2-CB 3.87Å; L577-A581 PolarHBondContact O-N 2.98Å; K578-A581 PolarHBondContact O-N 3.15Å; A581-R583 VanDerWaalsContact C-N 3.3Å; A581-R583 PolarHBondContact O-N 2.82Å; A581-E584 PolarHBondContact O-N 3.31Å; A581-L585 PolarHBondContact O-N 3.45Å
582	E	94	Very high	93.6	Very high	16 Å²	16	63.5 Å²	63.5	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-54.3	-46.6	173.6	-76.9	176.9	157.4	0	0	110.7	L540 I544 K578 T580 L586 R603	L540-E582 HydrophobicContact CD2-CB 4.4Å; L540-E582 HydrophobicContact CD2-CG 4.08Å; I544-E582 HydrophobicContact CD1-CB 4.27Å; I544-E582 HydrophobicContact CD1-CG 3.4Å; K578-E582 HydrophobicContact CG-CG 4.19Å; K578-E582 VanDerWaalsContact O-CB 3.31Å; K578-E582 WeakPolarHBondContact O-CB 3.49Å; K578-E582 WeakPolarHBondContact O-CG 3.35Å; K578-E582 PolarHBondContact O-N 2.96Å; T580-E582 PolarHBondContact O-N 2.84Å; E582-L586 VanDerWaalsContact O-CB 3.3Å; E582-L586 WeakPolarHBondContact O-CB 3.35Å; E582-L586 VanDerWaalsContact O-CD1 3.27Å; E582-L586 WeakPolarHBondContact O-CD1 3.47Å; E582-L586 WeakPolarHBondContact O-CG 3.5Å; E582-L586 PolarHBondContact O-N 3.11Å; E582-L586 VanDerWaalsContact O-N 3.13Å; E582-R603 VanDerWaalsContact CD-CD 3.45Å; E582-R603 VanDerWaalsContact OE1-CD 3.27Å; E582-R603 WeakPolarHBondContact OE1-CD 3.4Å; E582-R603 IonicContact OE1-NH1 3.64Å
583	R	93.3	Very high	94	Very high	156 Å²	156	55.6 Å²	55.6	59%	0.589	26%	0.256	S	S	*	.	H	α-helix	trans	-68.4	-43.7	179.5	-172.5	-174.3	-54.3	164.5	8.5	112.6	R579 T580 A581 L586 M587	R579-R583 WeakPolarHBondContact O-CB 3.46Å; R579-R583 PolarHBondContact O-N 2.85Å; T580-R583 PolarHBondContact O-N 3.32Å; T580-R583 VanDerWaalsContact O-N 3.17Å; A581-R583 VanDerWaalsContact C-N 3.3Å; A581-R583 PolarHBondContact O-N 2.82Å; R583-L586 PolarHBondContact O-N 3.15Å; R583-M587 HydrophobicContact CG-CE 3.87Å; R583-M587 HydrophobicContact CG-CG 4.15Å; R583-M587 HydrophobicContact CG-SD 3.6Å; R583-M587 VanDerWaalsContact O-CB 3.31Å; R583-M587 WeakPolarHBondContact O-CB 3.32Å; R583-M587 WeakPolarHBondContact O-CG 3.38Å; R583-M587 PolarHBondContact O-N 3.49Å
584	E	93.8	Very high	94.4	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	24%	0.235	S	C	.	.	H	α-helix	trans	-60.7	-49.9	-178.2	-172.9	-177.4	147.8	0	0	111	M547 T580 A581 M587 N588	M547-E584 HydrophobicContact CE-CG 4.34Å; T580-E584 WeakPolarHBondContact O-CB 3.31Å; T580-E584 PolarHBondContact O-N 2.93Å; A581-E584 PolarHBondContact O-N 3.31Å; E584-M587 PolarHBondContact O-N 2.83Å; E584-N588 WeakPolarHBondContact O-CB 3.23Å; E584-N588 VanDerWaalsContact O-CG 3.25Å; E584-N588 PolarHBondContact O-N 2.83Å; E584-N588 PolarHBondContact O-ND2 2.7Å; E584-N588 VanDerWaalsContact O-ND2 3.14Å
585	L	95	Very high	94.7	Very high	34 Å²	34	50.1 Å²	50.1	18%	0.178	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-43.5	177.7	-69	173.3	0	0	0	112.3	L540 Q543 I544 M547 A581 N588 A589	L540-L585 HydrophobicContact CD1-CB 3.81Å; L540-L585 HydrophobicContact CD1-CD1 3.74Å; L540-L585 HydrophobicContact CD1-CG 4.45Å; Q543-L585 HydrophobicContact CB-CD1 3.76Å; I544-L585 HydrophobicContact CG1-CD1 3.61Å; M547-L585 HydrophobicContact CE-CD2 3.95Å; M547-L585 HydrophobicContact CE-CG 3.98Å; M547-L585 HydrophobicContact CG-CD1 4.36Å; M547-L585 HydrophobicContact SD-CD1 3.6Å; M547-L585 VanDerWaalsContact SD-CD1 3.6Å; M547-L585 HydrophobicContact SD-CD2 3.98Å; M547-L585 HydrophobicContact SD-CG 3.66Å; A581-L585 PolarHBondContact O-N 3.45Å; L585-N588 PolarHBondContact O-N 2.97Å; L585-A589 WeakPolarHBondContact O-CB 3.37Å; L585-A589 PolarHBondContact O-N 2.85Å; L585-A589 VanDerWaalsContact O-N 3.13Å
586	L	96.3	Very high	95.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-36.6	-179.9	-68.4	168.2	0	0	0	112.4	V521 L540 E582 R583 I592 R603 L604 M607	V521-L586 HydrophobicContact CG1-CD2 3.83Å; L540-L586 HydrophobicContact CD1-CG 4.38Å; L540-L586 HydrophobicContact CD2-CD1 3.94Å; L540-L586 HydrophobicContact CD2-CD2 4.17Å; L540-L586 HydrophobicContact CD2-CG 4.08Å; E582-L586 VanDerWaalsContact O-CB 3.3Å; E582-L586 WeakPolarHBondContact O-CB 3.35Å; E582-L586 VanDerWaalsContact O-CD1 3.27Å; E582-L586 WeakPolarHBondContact O-CD1 3.47Å; E582-L586 WeakPolarHBondContact O-CG 3.5Å; E582-L586 PolarHBondContact O-N 3.11Å; E582-L586 VanDerWaalsContact O-N 3.13Å; R583-L586 PolarHBondContact O-N 3.15Å; L586-I592 HydrophobicContact CB-CD1 4.22Å; L586-I592 HydrophobicContact CD2-CD1 3.73Å; L586-I592 HydrophobicContact CD2-CG1 4.14Å; L586-I592 HydrophobicContact CD2-CG2 4.25Å; L586-R603 HydrophobicContact CD1-CB 4.18Å; L586-L604 HydrophobicContact CD1-CD2 4.25Å; L586-L604 HydrophobicContact CD2-CD2 4.13Å; L586-M607 HydrophobicContact CB-CE 4.19Å; L586-M607 HydrophobicContact CB-SD 3.91Å; L586-M607 WeakPolarHBondContact O-CE 3.37Å
587	M	94.4	Very high	95.3	Very high	108 Å²	108	42.9 Å²	42.9	53%	0.532	20%	0.204	S	C	.	.	H	α-helix	trans	-76.6	-29.2	177.3	-72.5	-176.6	166.8	0	0	113.4	R583 E584 M607	R583-M587 HydrophobicContact CG-CE 3.87Å; R583-M587 HydrophobicContact CG-CG 4.15Å; R583-M587 HydrophobicContact CG-SD 3.6Å; R583-M587 VanDerWaalsContact O-CB 3.31Å; R583-M587 WeakPolarHBondContact O-CB 3.32Å; R583-M587 WeakPolarHBondContact O-CG 3.38Å; R583-M587 PolarHBondContact O-N 3.49Å; E584-M587 PolarHBondContact O-N 2.83Å; M587-M607 HydrophobicContact CG-CE 4.47Å
588	N	95	Very high	95.4	Very high	98 Å²	98	42.5 Å²	42.5	52%	0.524	21%	0.205	S	C	.	.	S	Bend	trans	-94	5.9	-179.9	-65.7	-31.5	0	0	0	114	E584 L585	E584-N588 WeakPolarHBondContact O-CB 3.23Å; E584-N588 VanDerWaalsContact O-CG 3.25Å; E584-N588 PolarHBondContact O-N 2.83Å; E584-N588 PolarHBondContact O-ND2 2.7Å; E584-N588 VanDerWaalsContact O-ND2 3.14Å; L585-N588 PolarHBondContact O-N 2.97Å
589	A	97.3	Very high	95.7	Very high	8 Å²	8	41 Å²	41	7%	0.066	20%	0.199	C	C	.	.			trans	-77.3	146	175.1	0	0	0	0	0	111.9	V521 L585 I592	V521-A589 HydrophobicContact CB-CB 4.38Å; V521-A589 HydrophobicContact CG2-CB 3.66Å; L585-A589 WeakPolarHBondContact O-CB 3.37Å; L585-A589 PolarHBondContact O-N 2.85Å; L585-A589 VanDerWaalsContact O-N 3.13Å; A589-I592 HydrophobicContact CB-CG1 4.15Å
590	D	97.9	Very high	96	Very high	55 Å²	55	34.4 Å²	34.4	29%	0.294	18%	0.182	S	C	.	.	S	Bend	trans	-78.6	-34	165.9	-63.1	-49.8	0	0	0	110.3	A489 P495 V496 L518 K519	A489-D590 HydrophobicContact CB-CB 4.28Å; P495-D590 WeakPolarHBondContact CA-O 3.38Å; V496-D590 PolarHBondContact N-O 3.3Å; L518-D590 HydrophobicContact CB-CB 4.09Å; L518-D590 HydrophobicContact CD2-CB 4.13Å; K519-D590 HydrophobicContact CB-CB 4.39Å; K519-D590 WeakPolarHBondContact CB-OD2 3.44Å; K519-D590 PolarHBondContact N-OD2 2.99Å; K519-D590 PolarHBondContact O-N 2.9Å
591	V	98.4	Very high	96.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	135.3	-175	-170.3	0	0	0	0	111.3	V485 A489 V496 V498 I513 L518 K519 V520 V521	V485-V591 HydrophobicContact CG1-CB 4.35Å; V485-V591 HydrophobicContact CG1-CG1 3.81Å; V485-V591 HydrophobicContact CG1-CG2 3.51Å; A489-V591 HydrophobicContact CB-CG2 4.34Å; V496-V591 WeakPolarHBondContact O-CA 3.42Å; V498-V591 HydrophobicContact CB-CG1 4.22Å; V498-V591 HydrophobicContact CG2-CG1 3.51Å; I513-V591 HydrophobicContact CD1-CG1 4.32Å; I513-V591 HydrophobicContact CG2-CB 4.15Å; I513-V591 HydrophobicContact CG2-CG1 4.19Å; I513-V591 HydrophobicContact CG2-CG2 3.79Å; L518-V591 HydrophobicContact CD1-CG2 3.9Å; K519-V591 PolarHBondContact O-N 3.19Å; V520-V591 WeakPolarHBondContact CA-O 3.28Å; V521-V591 PolarHBondContact N-O 2.79Å
592	I	98.6	Very high	96.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122	171	-60.6	173.3	0	0	0	108.9	P495 V496 L497 V498 V521 L523 L586 A589 L604 M607 F609	P495-I592 HydrophobicContact CB-CD1 4.23Å; P495-I592 HydrophobicContact CB-CG1 4.3Å; P495-I592 HydrophobicContact CG-CD1 4.44Å; V496-I592 PolarHBondContact O-N 2.87Å; L497-I592 HydrophobicContact CD1-CB 4.36Å; L497-I592 HydrophobicContact CD1-CG2 4.28Å; V498-I592 PolarHBondContact N-O 2.78Å; V521-I592 WeakPolarHBondContact O-CA 3.32Å; L523-I592 HydrophobicContact CB-CG2 4.49Å; L586-I592 HydrophobicContact CB-CD1 4.22Å; L586-I592 HydrophobicContact CD2-CD1 3.73Å; L586-I592 HydrophobicContact CD2-CG1 4.14Å; L586-I592 HydrophobicContact CD2-CG2 4.25Å; A589-I592 HydrophobicContact CB-CG1 4.15Å; I592-L604 HydrophobicContact CD1-CD2 4.13Å; I592-L604 HydrophobicContact CG2-CD2 4.29Å; I592-M607 HydrophobicContact CD1-CE 3.83Å; I592-M607 HydrophobicContact CD1-SD 4.36Å; I592-F609 HydrophobicContact CD1-CE1 3.79Å; I592-F609 HydrophobicContact CD1-CZ 3.88Å
593	C	98.4	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123	178.8	-63.1	0	0	0	0	110.6	V498 V506 T510 V520 V521 R522 L523	V498-C593 WeakPolarHBondContact O-CA 3.43Å; V506-C593 HydrophobicContact CG1-CB 3.99Å; T510-C593 HydrophobicContact CG2-CB 4.41Å; T510-C593 WeakPolarHBondContact OG1-CB 3.33Å; V520-C593 HydrophobicContact CG1-CB 4.48Å; V521-C593 PolarHBondContact O-N 3.12Å; R522-C593 CarbonylContact C-O 3.52Å; R522-C593 WeakPolarHBondContact CA-O 3.3Å; R522-C593 WeakPolarHBondContact CD-O 3.31Å; L523-C593 PolarHBondContact N-O 2.72Å
594	C	97.8	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	173.4	178.9	67.4	0	0	0	0	111.2	V498 C499 V506 L523	V498-C594 PolarHBondContact O-N 3.45Å; C499-C594 VanDerWaalsContact CA-O 3.32Å; C499-C594 WeakPolarHBondContact CA-O 3.32Å; V506-C594 WeakPolarHBondContact CG2-O 3.4Å; L523-C594 HydrophobicContact CB-CB 4.04Å
595	T	96.8	Very high	96.2	Very high	22 Å²	22	29.6 Å²	29.6	14%	0.135	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	162.2	168.1	54.6	0	0	0	0	111	A500 N503 V506 V597 G598 A599	A500-T595 CarbonylContact O-C 3.58Å; A500-T595 WeakPolarHBondContact O-CA 3.43Å; A500-T595 WeakPolarHBondContact O-CB 3.47Å; N503-T595 HydrophobicContact CB-CG2 4.48Å; V506-T595 HydrophobicContact CG2-CG2 3.83Å; T595-V597 PolarHBondContact O-N 3.09Å; T595-G598 CarbonylContact O-C 3.59Å; T595-G598 WeakPolarHBondContact O-CA 3.28Å; T595-G598 PolarHBondContact O-N 2.7Å; T595-G598 WeakPolarHBondContact OG1-CA 3.39Å; T595-G598 PolarHBondContact OG1-N 3.25Å; T595-G598 VanDerWaalsContact OG1-N 3.11Å; T595-A599 PolarHBondContact O-N 3.4Å
596	C	97.4	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-53.8	-55.4	176.6	-63.6	0	0	0	0	111.8	A500 G598 A599 E624 V627	A500-C596 PolarHBondContact O-N 3.31Å; C596-G598 PolarHBondContact O-N 2.91Å; C596-A599 WeakPolarHBondContact O-CB 3.49Å; C596-A599 PolarHBondContact O-N 2.85Å; C596-A599 VanDerWaalsContact O-N 3.12Å; C596-E624 HydrophobicContact CB-CG 3.71Å; C596-V627 WeakPolarHBondContact O-CG1 3.3Å
597	V	96.3	Very high	95.9	Very high	32 Å²	32	38.6 Å²	38.6	19%	0.194	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-35.6	169.4	179.6	0	0	0	0	111.8	R401 T595 A599 G600 E624	R401-V597 WeakPolarHBondContact CD-O 3.4Å; R401-V597 PolarHBondContact NH1-O 2.81Å; T595-V597 PolarHBondContact O-N 3.09Å; V597-A599 VanDerWaalsContact C-N 3.26Å; V597-A599 PolarHBondContact O-N 2.82Å; V597-G600 PolarHBondContact O-N 2.72Å; V597-E624 HydrophobicContact CG2-CG 3.87Å
598	G	95.9	Very high	95.9	Very high	12 Å²	12	38.9 Å²	38.9	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-25.8	177.8	0	0	0	0	0	114.7	T595 C596 G600 D601	T595-G598 CarbonylContact O-C 3.59Å; T595-G598 WeakPolarHBondContact O-CA 3.28Å; T595-G598 PolarHBondContact O-N 2.7Å; T595-G598 WeakPolarHBondContact OG1-CA 3.39Å; T595-G598 PolarHBondContact OG1-N 3.25Å; T595-G598 VanDerWaalsContact OG1-N 3.11Å; C596-G598 PolarHBondContact O-N 2.91Å; G598-G600 VanDerWaalsContact C-N 3.29Å; G598-G600 PolarHBondContact O-N 3.47Å; G598-D601 WeakPolarHBondContact O-CB 3.25Å; G598-D601 PolarHBondContact O-N 3.08Å
599	A	97.6	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-33.8	177.1	0	0	0	0	0	112.6	L497 T595 C596 V597 D601 V627 P628 L631	L497-A599 HydrophobicContact CD2-CB 4.34Å; T595-A599 PolarHBondContact O-N 3.4Å; C596-A599 WeakPolarHBondContact O-CB 3.49Å; C596-A599 PolarHBondContact O-N 2.85Å; C596-A599 VanDerWaalsContact O-N 3.12Å; V597-A599 VanDerWaalsContact C-N 3.26Å; V597-A599 PolarHBondContact O-N 2.82Å; A599-D601 PolarHBondContact O-N 2.96Å; A599-V627 HydrophobicContact CB-CG1 4.44Å; A599-P628 HydrophobicContact CB-CB 3.66Å; A599-P628 HydrophobicContact CB-CG 4.49Å; A599-L631 HydrophobicContact CB-CD1 4.03Å
600	G	96.2	Very high	96	Very high	27 Å²	27	38.1 Å²	38.1	28%	0.278	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	25.8	173.8	0	0	0	0	0	114.8	R401 V597 G598	R401-G600 VanDerWaalsContact CZ-C 3.48Å; R401-G600 PolarHBondContact NE-O 2.89Å; R401-G600 VanDerWaalsContact NE-O 3.14Å; R401-G600 VanDerWaalsContact NH1-C 3.32Å; R401-G600 PolarHBondContact NH1-O 3.06Å; V597-G600 PolarHBondContact O-N 2.72Å; G598-G600 VanDerWaalsContact C-N 3.29Å; G598-G600 PolarHBondContact O-N 3.47Å
601	D	96.3	Very high	96	Very high	11 Å²	11	35.8 Å²	35.8	6%	0.059	20%	0.195	C	C	.	.			trans	-77.2	136.4	175.7	-169.2	-70.8	0	0	0	110.8	R401 L523 G598 A599 R603 L604 A605	R401-D601 IonicContact NH2-OD2 2.9Å; L523-D601 HydrophobicContact CD2-CB 3.99Å; G598-D601 WeakPolarHBondContact O-CB 3.25Å; G598-D601 PolarHBondContact O-N 3.08Å; A599-D601 PolarHBondContact O-N 2.96Å; D601-R603 PolarHBondContact O-N 3.22Å; D601-R603 VanDerWaalsContact OD1-CB 3.28Å; D601-R603 WeakPolarHBondContact OD1-CB 3.26Å; D601-R603 WeakPolarHBondContact OD1-CG 3.49Å; D601-R603 IonicContact OD1-CZ 2.95Å; D601-R603 PolarHBondContact OD1-N 3.14Å; D601-R603 IonicContact OD1-NE 3.96Å; D601-R603 PolarHBondContact OD1-NE 3.43Å; D601-R603 IonicContact OD1-NH2 3.49Å; D601-R603 IonicContact OD2-CZ 3.85Å; D601-R603 IonicContact OD2-NE 3.28Å; D601-R603 PolarHBondContact OD2-NE 3.09Å; D601-R603 IonicContact OD2-NH2 3.7Å; D601-R603 PolarHBondContact OD2-NH2 3.06Å; D601-L604 PolarHBondContact O-N 3.08Å; D601-A605 PolarHBondContact O-N 3.38Å
602	P	94.3	Very high	96	Very high	108 Å²	108	35.8 Å²	35.8	70%	0.701	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-17.7	178	-28.6	36.2	0	0	0	115.6
603	R	94.5	Very high	96	Very high	36 Å²	36	35.8 Å²	35.8	14%	0.136	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-28.4	171.9	-67.1	170.2	-73.2	-177.1	5.8	112.9	S524 E529 E582 L586 D601	S524-R603 PolarHBondContact O-NH2 3.29Å; E529-R603 IonicContact OE1-NH1 3.56Å; E529-R603 PolarHBondContact OE1-NH1 3.25Å; E582-R603 VanDerWaalsContact CD-CD 3.45Å; E582-R603 VanDerWaalsContact OE1-CD 3.27Å; E582-R603 WeakPolarHBondContact OE1-CD 3.4Å; E582-R603 IonicContact OE1-NH1 3.64Å; L586-R603 HydrophobicContact CD1-CB 4.18Å; D601-R603 PolarHBondContact O-N 3.22Å; D601-R603 VanDerWaalsContact OD1-CB 3.28Å; D601-R603 WeakPolarHBondContact OD1-CB 3.26Å; D601-R603 WeakPolarHBondContact OD1-CG 3.49Å; D601-R603 IonicContact OD1-CZ 2.95Å; D601-R603 PolarHBondContact OD1-N 3.14Å; D601-R603 IonicContact OD1-NE 3.96Å; D601-R603 PolarHBondContact OD1-NE 3.43Å; D601-R603 IonicContact OD1-NH2 3.49Å; D601-R603 IonicContact OD2-CZ 3.85Å; D601-R603 IonicContact OD2-NE 3.28Å; D601-R603 PolarHBondContact OD2-NE 3.09Å; D601-R603 IonicContact OD2-NH2 3.7Å; D601-R603 PolarHBondContact OD2-NH2 3.06Å
604	L	95.9	Very high	96	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-20.3	178.9	-61.7	-178.8	0	0	0	113.7	L523 L586 I592 D601 K606 M607 F609	L523-L604 HydrophobicContact CD2-CD1 3.46Å; L523-L604 VanDerWaalsContact CD2-CD1 3.46Å; L523-L604 HydrophobicContact CD2-CD2 4.12Å; L523-L604 HydrophobicContact CD2-CG 3.61Å; L586-L604 HydrophobicContact CD1-CD2 4.25Å; L586-L604 HydrophobicContact CD2-CD2 4.13Å; I592-L604 HydrophobicContact CD1-CD2 4.13Å; I592-L604 HydrophobicContact CG2-CD2 4.29Å; D601-L604 PolarHBondContact O-N 3.08Å; L604-K606 PolarHBondContact O-N 3.35Å; L604-M607 HydrophobicContact CD2-SD 3.96Å; L604-M607 WeakPolarHBondContact O-CB 3.33Å; L604-M607 PolarHBondContact O-N 3.4Å; L604-F609 HydrophobicContact CD2-CZ 4.13Å
605	A	89.6	Confident	95.9	Very high	68 Å²	68	36 Å²	36	56%	0.562	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	1.7	-171.3	0	0	0	0	0	116.9	D601	D601-A605 PolarHBondContact O-N 3.38Å
606	K	90.3	Very high	95.8	Very high	203 Å²	203	35.8 Å²	35.8	88%	0.883	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.7	12.6	171	-63.7	-164.1	175.1	-163.5	0	113.4	L604	L604-K606 PolarHBondContact O-N 3.35Å
607	M	94.7	Very high	95.7	Very high	23 Å²	23	35.8 Å²	35.8	11%	0.113	19%	0.194	C	C	.	.			trans	-102.3	164.2	173.7	-60.9	-178.1	69.4	0	0	109.6	P495 L586 M587 I592 L604 F609	P495-M607 HydrophobicContact CG-CE 3.96Å; L586-M607 HydrophobicContact CB-CE 4.19Å; L586-M607 HydrophobicContact CB-SD 3.91Å; L586-M607 WeakPolarHBondContact O-CE 3.37Å; M587-M607 HydrophobicContact CG-CE 4.47Å; I592-M607 HydrophobicContact CD1-CE 3.83Å; I592-M607 HydrophobicContact CD1-SD 4.36Å; L604-M607 HydrophobicContact CD2-SD 3.96Å; L604-M607 WeakPolarHBondContact O-CB 3.33Å; L604-M607 PolarHBondContact O-N 3.4Å; M607-F609 HydrophobicContact CB-CE1 4.44Å; M607-F609 HydrophobicContact CB-CE2 3.7Å; M607-F609 HydrophobicContact CB-CZ 3.59Å; M607-F609 HydrophobicContact CE-CE1 4.03Å; M607-F609 HydrophobicContact CE-CZ 3.83Å; M607-F609 HydrophobicContact CG-CZ 4.4Å; M607-F609 HydrophobicContact SD-CZ 4.02Å
608	Q	95	Very high	95.6	Very high	113 Å²	113	34.2 Å²	34.2	53%	0.528	18%	0.184	S	C	.	.			trans	-136.1	129.2	179.5	-72.3	-72.4	-76	0	0	108.6	L631 G632	Q608-L631 CarbonylContact C-O 3.56Å; Q608-L631 WeakPolarHBondContact CA-O 3.41Å; Q608-G632 VanDerWaalsContact OE1-CA 3.28Å
609	F	97.6	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.			trans	-117.8	92.7	-171.3	-62	-71.9	0	0	0	109.4	P495 L497 I592 L604 M607 S611 I612 L631	P495-F609 HydrophobicContact CB-CE1 4.2Å; P495-F609 HydrophobicContact CG-CD1 4.31Å; P495-F609 HydrophobicContact CG-CE1 3.82Å; L497-F609 HydrophobicContact CB-CB 3.77Å; L497-F609 HydrophobicContact CB-CD1 3.81Å; L497-F609 HydrophobicContact CB-CD2 4.21Å; L497-F609 HydrophobicContact CB-CE1 4.49Å; L497-F609 HydrophobicContact CB-CG 3.65Å; L497-F609 HydrophobicContact CD1-CE2 4.49Å; L497-F609 HydrophobicContact CD2-CB 4.38Å; L497-F609 HydrophobicContact CD2-CD2 3.88Å; L497-F609 HydrophobicContact CD2-CE2 4.46Å; L497-F609 HydrophobicContact CD2-CG 4.14Å; L497-F609 HydrophobicContact CG-CD2 4.45Å; L497-F609 HydrophobicContact CG-CG 4.37Å; I592-F609 HydrophobicContact CD1-CE1 3.79Å; I592-F609 HydrophobicContact CD1-CZ 3.88Å; L604-F609 HydrophobicContact CD2-CZ 4.13Å; M607-F609 HydrophobicContact CB-CE1 4.44Å; M607-F609 HydrophobicContact CB-CE2 3.7Å; M607-F609 HydrophobicContact CB-CZ 3.59Å; M607-F609 HydrophobicContact CE-CE1 4.03Å; M607-F609 HydrophobicContact CE-CZ 3.83Å; M607-F609 HydrophobicContact CG-CZ 4.4Å; M607-F609 HydrophobicContact SD-CZ 4.02Å; F609-S611 PolarHBondContact O-N 2.99Å; F609-I612 HydrophobicContact CB-CD1 4.09Å; F609-I612 HydrophobicContact CB-CG1 3.97Å; F609-I612 WeakPolarHBondContact O-CG1 3.39Å; F609-L631 HydrophobicContact CD2-CB 3.84Å; F609-L631 HydrophobicContact CD2-CD1 4.03Å; F609-L631 HydrophobicContact CE2-CD1 4.2Å; F609-L631 PolarHBondContact N-O 2.82Å
610	R	96.7	Very high	95.3	Very high	91 Å²	91	35.2 Å²	35.2	34%	0.343	19%	0.186	S	C	.	.	S	Bend	trans	-52.8	-42.9	178.3	-177.5	-164.6	165.2	81.9	12.7	111.4	K634 Q635	R610-K634 HydrophobicContact CG-CB 4.01Å; R610-K634 HydrophobicContact CG-CG 4.4Å; R610-K634 CarbonylContact O-C 3.5Å; R610-K634 WeakPolarHBondContact O-CA 3.25Å; R610-K634 PolarHBondContact O-N 3.35Å; R610-Q635 PolarHBondContact O-N 3.06Å
611	S	98.1	Very high	95.4	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.5	-173.9	-56.8	0	0	0	0	109.8	L497 F609 Q635	L497-S611 PolarHBondContact N-O 3.09Å; L497-S611 VanDerWaalsContact N-O 3.16Å; F609-S611 PolarHBondContact O-N 2.99Å; S611-Q635 WeakPolarHBondContact CA-O 3.3Å
612	I	98.6	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.9	-175.2	-50.2	-170.9	0	0	0	109.2	L497 F609 I614 P628 A633 Q635 L636 I637	L497-I612 HydrophobicContact CB-CG1 4.27Å; L497-I612 HydrophobicContact CB-CG2 4.32Å; L497-I612 HydrophobicContact CD2-CD1 4.26Å; L497-I612 HydrophobicContact CD2-CG2 4.26Å; L497-I612 HydrophobicContact CG-CG2 4.44Å; L497-I612 WeakPolarHBondContact O-CA 3.34Å; F609-I612 HydrophobicContact CB-CD1 4.09Å; F609-I612 HydrophobicContact CB-CG1 3.97Å; F609-I612 WeakPolarHBondContact O-CG1 3.39Å; I612-I614 HydrophobicContact CG2-CG1 4.29Å; I612-P628 WeakPolarHBondContact CD1-O 3.48Å; I612-P628 HydrophobicContact CG2-CB 4.32Å; I612-A633 HydrophobicContact CD1-CB 3.85Å; I612-A633 HydrophobicContact CG1-CB 4.4Å; I612-Q635 PolarHBondContact N-O 3.48Å; I612-L636 HydrophobicContact CB-CD1 4.1Å; I612-L636 HydrophobicContact CG2-CD1 4.21Å; I612-L636 WeakPolarHBondContact O-CA 3.47Å; I612-I637 VanDerWaalsContact O-CD1 3.28Å; I612-I637 WeakPolarHBondContact O-CD1 3.5Å; I612-I637 PolarHBondContact O-N 2.83Å
613	L	98.6	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.7	170.8	-174.2	146.9	0	0	0	110.1	V484 V485 L497 V498 C499 L509 D615 I637 V639	V484-L613 HydrophobicContact CB-CD1 4.24Å; V484-L613 HydrophobicContact CG1-CD1 4.02Å; V485-L613 HydrophobicContact CG2-CB 4.29Å; V485-L613 HydrophobicContact CG2-CD1 4.24Å; L497-L613 PolarHBondContact O-N 3.41Å; V498-L613 WeakPolarHBondContact CA-O 3.3Å; C499-L613 PolarHBondContact N-O 3.5Å; L509-L613 HydrophobicContact CD2-CD2 4.06Å; L613-D615 HydrophobicContact CD2-CB 4.11Å; L613-I637 CarbonylContact C-O 3.38Å; L613-I637 WeakPolarHBondContact CA-O 3.38Å; L613-I637 HydrophobicContact CB-CB 4.23Å; L613-I637 HydrophobicContact CD1-CB 4.02Å; L613-I637 HydrophobicContact CD1-CG2 3.91Å; L613-I637 HydrophobicContact CG-CB 4.03Å; L613-I637 HydrophobicContact CG-CG2 4.24Å; L613-V639 HydrophobicContact CD1-CG2 4.19Å; L613-V639 HydrophobicContact CD2-CG2 4.33Å; L613-V639 HydrophobicContact CG-CG2 4.22Å
614	I	98.4	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	113.9	174.5	-47	-175.6	0	0	0	108.2	C499 I612 P628 V629 L636 I637 L638 V639	C499-I614 HydrophobicContact CB-CG1 4.33Å; C499-I614 HydrophobicContact CB-CG2 4.36Å; C499-I614 CarbonylContact O-C 3.25Å; C499-I614 VanDerWaalsContact O-CA 3.31Å; C499-I614 WeakPolarHBondContact O-CA 3.22Å; I612-I614 HydrophobicContact CG2-CG1 4.29Å; I614-P628 HydrophobicContact CD1-CG 3.68Å; I614-P628 HydrophobicContact CG1-CG 4.38Å; I614-V629 HydrophobicContact CD1-CG2 4.13Å; I614-L636 HydrophobicContact CD1-CD1 4.38Å; I614-L636 HydrophobicContact CG1-CD1 4.43Å; I614-I637 PolarHBondContact N-O 3.2Å; I614-L638 HydrophobicContact CB-CD2 3.92Å; I614-L638 HydrophobicContact CD1-CD2 3.74Å; I614-L638 HydrophobicContact CG1-CD2 3.95Å; I614-V639 PolarHBondContact O-N 2.91Å
615	D	95.7	Very high	95.9	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.027	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	154.8	176	-149.4	-26	0	0	0	111.5	S481 C499 A500 L509 L613 S617 V639	S481-D615 WeakPolarHBondContact CB-OD2 3.43Å; S481-D615 PolarHBondContact OG-OD2 2.93Å; C499-D615 PolarHBondContact O-N 3.3Å; A500-D615 WeakPolarHBondContact CA-O 3.42Å; A500-D615 VanDerWaalsContact CB-O 3.22Å; A500-D615 WeakPolarHBondContact CB-O 3.5Å; L509-D615 HydrophobicContact CD2-CB 3.73Å; L613-D615 HydrophobicContact CD2-CB 4.11Å; D615-S617 PolarHBondContact O-N 2.93Å; D615-S617 VanDerWaalsContact O-N 3.17Å; D615-V639 CarbonylContact C-O 3.59Å; D615-V639 HydrophobicContact CB-CB 4.44Å; D615-V639 WeakPolarHBondContact OD1-CG1 3.3Å
616	E	94.1	Very high	96.3	Very high	16 Å²	16	25.4 Å²	25.4	8%	0.075	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	36.7	-163.5	-67.4	-75.1	140.5	0	0	113.3	K477 A505 T618 Q619 V639 Q809	K477-E616 WeakPolarHBondContact CE-OE1 3.15Å; K477-E616 IonicContact NZ-OE1 2.7Å; K477-E616 PolarHBondContact NZ-OE1 3.42Å; A505-E616 HydrophobicContact CB-CG 4.4Å; E616-T618 PolarHBondContact O-N 3.47Å; E616-Q619 HydrophobicContact CB-CG 4.31Å; E616-Q619 VanDerWaalsContact CB-NE2 3.34Å; E616-Q619 WeakPolarHBondContact O-CB 3.27Å; E616-Q619 PolarHBondContact O-N 2.8Å; E616-Q619 PolarHBondContact OE2-NE2 3.08Å; E616-V639 WeakPolarHBondContact CA-O 3.35Å; E616-V639 PolarHBondContact N-O 3.5Å; E616-Q809 PolarHBondContact OE2-NE2 2.88Å
617	S	95.9	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-62.5	-14.7	-174.8	72.4	0	0	0	0	114.1	D615 Q619 A620 V639 F664	D615-S617 PolarHBondContact O-N 2.93Å; D615-S617 VanDerWaalsContact O-N 3.17Å; S617-Q619 VanDerWaalsContact C-N 3.33Å; S617-A620 PolarHBondContact O-N 3.45Å; S617-V639 PolarHBondContact N-O 3.04Å; S617-V639 PolarHBondContact OG-O 3.07Å; S617-F664 WeakPolarHBondContact OG-CD2 3.38Å
618	T	94.2	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-74.8	-18.4	172.5	46.5	0	0	0	0	113.3	E616 A620 D641 H642 G646 P647 F664	E616-T618 PolarHBondContact O-N 3.47Å; T618-A620 VanDerWaalsContact C-N 3.32Å; T618-D641 PolarHBondContact OG1-N 3.31Å; T618-D641 PolarHBondContact OG1-O 3.07Å; T618-H642 HydrophobicContact CG2-CB 4.47Å; T618-G646 VanDerWaalsContact O-CA 3.3Å; T618-G646 WeakPolarHBondContact O-CA 3.39Å; T618-P647 WeakPolarHBondContact O-CD 3.28Å; T618-F664 HydrophobicContact CG2-CB 3.71Å; T618-F664 HydrophobicContact CG2-CD1 3.65Å; T618-F664 HydrophobicContact CG2-CD2 4.35Å; T618-F664 HydrophobicContact CG2-CE1 4.36Å; T618-F664 HydrophobicContact CG2-CG 3.66Å
619	Q	92.1	Very high	97	Very high	33 Å²	33	9.4 Å²	9.4	15%	0.154	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-79.1	-13.1	172	-67.3	177.9	37.7	0	0	113.3	P501 E616 S617 P647 Q809	P501-Q619 HydrophobicContact CG-CB 3.64Å; E616-Q619 HydrophobicContact CB-CG 4.31Å; E616-Q619 VanDerWaalsContact CB-NE2 3.34Å; E616-Q619 WeakPolarHBondContact O-CB 3.27Å; E616-Q619 PolarHBondContact O-N 2.8Å; E616-Q619 PolarHBondContact OE2-NE2 3.08Å; S617-Q619 VanDerWaalsContact C-N 3.33Å; Q619-P647 VanDerWaalsContact O-CA 3.24Å; Q619-P647 WeakPolarHBondContact O-CA 3.41Å; Q619-P647 WeakPolarHBondContact O-CB 3.45Å; Q619-Q809 VanDerWaalsContact CG-NE2 3.31Å
620	A	94.9	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-94.5	147.2	-175.4	0	0	0	0	0	111.1	P501 S617 T618 E624 C625 S662	P501-A620 HydrophobicContact CB-CB 4.02Å; P501-A620 HydrophobicContact CG-CB 4.04Å; S617-A620 PolarHBondContact O-N 3.45Å; T618-A620 VanDerWaalsContact C-N 3.32Å; A620-E624 WeakPolarHBondContact CA-OE2 3.29Å; A620-E624 HydrophobicContact CB-CB 4.38Å; A620-E624 HydrophobicContact CB-CG 4.39Å; A620-C625 VanDerWaalsContact CB-SG 3.56Å; A620-S662 VanDerWaalsContact O-CB 3.31Å; A620-S662 WeakPolarHBondContact O-CB 3.22Å
621	T	97	Very high	97	Very high	15 Å²	15	6.6 Å²	6.6	9%	0.092	3%	0.034	C	C	.	.			trans	-67.9	157.6	165.4	65.5	0	0	0	0	109.7	E624 C625 P647 V649 L659	T621-E624 WeakPolarHBondContact O-CB 3.31Å; T621-E624 PolarHBondContact O-N 2.88Å; T621-E624 VanDerWaalsContact OG1-CB 3.31Å; T621-E624 WeakPolarHBondContact OG1-CB 3.34Å; T621-E624 PolarHBondContact OG1-N 2.95Å; T621-C625 PolarHBondContact O-N 2.96Å; T621-P647 HydrophobicContact CG2-CB 3.76Å; T621-P647 HydrophobicContact CG2-CG 4.29Å; T621-V649 HydrophobicContact CG2-CG2 4.16Å; T621-L659 HydrophobicContact CG2-CD1 4.44Å; T621-L659 HydrophobicContact CG2-CG 4.35Å
622	E	97.8	Very high	96.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-60.4	-44.7	177.3	173.7	153.9	-178	0	0	113.5	Y280 F284 E624 C625 M626 L663 R666	Y280-E622 WeakPolarHBondContact CE2-OE1 3.01Å; Y280-E622 VanDerWaalsContact OH-CG 3.3Å; Y280-E622 WeakPolarHBondContact OH-CG 3.4Å; Y280-E622 PolarHBondContact OH-OE1 2.89Å; F284-E622 HydrophobicContact CE1-CB 4.1Å; F284-E622 HydrophobicContact CE1-CG 4.34Å; F284-E622 HydrophobicContact CE2-CG 4.14Å; F284-E622 HydrophobicContact CZ-CB 3.97Å; F284-E622 HydrophobicContact CZ-CG 3.81Å; E622-E624 VanDerWaalsContact C-N 3.28Å; E622-E624 PolarHBondContact O-N 2.89Å; E622-C625 WeakPolarHBondContact O-CB 3.4Å; E622-C625 PolarHBondContact O-N 3.46Å; E622-M626 WeakPolarHBondContact O-CG 3.19Å; E622-M626 PolarHBondContact O-N 2.96Å; E622-M626 VanDerWaalsContact O-N 3.07Å; E622-L663 HydrophobicContact CB-CB 4.15Å; E622-L663 HydrophobicContact CG-CB 3.97Å; E622-L663 HydrophobicContact CG-CD1 4.15Å; E622-L663 VanDerWaalsContact OE1-CD1 3.28Å; E622-L663 WeakPolarHBondContact OE1-CD1 3.47Å; E622-R666 VanDerWaalsContact CD-NE 3.31Å; E622-R666 IonicContact OE1-CZ 3.15Å; E622-R666 IonicContact OE1-NE 2.65Å; E622-R666 PolarHBondContact OE1-NE 2.82Å; E622-R666 IonicContact OE1-NH2 3.69Å; E622-R666 PolarHBondContact OE1-NH2 3.37Å; E622-R666 IonicContact OE2-CZ 2.72Å; E622-R666 IonicContact OE2-NE 3.91Å; E622-R666 PolarHBondContact OE2-NE 2.99Å; E622-R666 IonicContact OE2-NH2 2.81Å
623	P	98.1	Very high	96.8	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61	-31.4	172	-27	37.9	0	0	0	114.2	F284 V288 M402 L406 M626 L659	F284-P623 HydrophobicContact CB-CG 3.99Å; F284-P623 HydrophobicContact CD1-CG 3.55Å; F284-P623 HydrophobicContact CE1-CG 4.24Å; F284-P623 HydrophobicContact CG-CG 3.94Å; V288-P623 HydrophobicContact CG2-CB 3.65Å; V288-P623 HydrophobicContact CG2-CG 3.61Å; M402-P623 HydrophobicContact CB-CB 4.08Å; M402-P623 HydrophobicContact CG-CB 4.26Å; M402-P623 HydrophobicContact SD-CB 4.09Å; L406-P623 HydrophobicContact CD1-CB 4.3Å; L406-P623 HydrophobicContact CD1-CG 4.46Å; L406-P623 HydrophobicContact CD2-CB 4.26Å; L406-P623 HydrophobicContact CD2-CG 4.42Å; L406-P623 HydrophobicContact CG-CB 4.38Å; P623-M626 PolarHBondContact O-N 2.86Å; P623-L659 HydrophobicContact CG-CD1 4.04Å
624	E	98.2	Very high	96.7	Very high	29 Å²	29	11.2 Å²	11.2	14%	0.136	5%	0.054	C	C	.	.	H	α-helix	trans	-69	-43.1	173.6	-174.3	-173.4	-178.4	0	0	111.7	M402 P501 C596 V597 A620 T621 E622 M626 V627	M402-E624 HydrophobicContact SD-CB 3.84Å; P501-E624 WeakPolarHBondContact CB-OE1 3.35Å; C596-E624 HydrophobicContact CB-CG 3.71Å; V597-E624 HydrophobicContact CG2-CG 3.87Å; A620-E624 WeakPolarHBondContact CA-OE2 3.29Å; A620-E624 HydrophobicContact CB-CB 4.38Å; A620-E624 HydrophobicContact CB-CG 4.39Å; T621-E624 WeakPolarHBondContact O-CB 3.31Å; T621-E624 PolarHBondContact O-N 2.88Å; T621-E624 VanDerWaalsContact OG1-CB 3.31Å; T621-E624 WeakPolarHBondContact OG1-CB 3.34Å; T621-E624 PolarHBondContact OG1-N 2.95Å; E622-E624 VanDerWaalsContact C-N 3.28Å; E622-E624 PolarHBondContact O-N 2.89Å; E624-M626 PolarHBondContact O-N 3.34Å; E624-V627 PolarHBondContact O-N 2.98Å
625	C	98	Very high	96.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.9	-33.1	172.4	-78.6	0	0	0	0	112.3	A620 T621 E622 V627 P628 V629 L663	A620-C625 VanDerWaalsContact CB-SG 3.56Å; T621-C625 PolarHBondContact O-N 2.96Å; E622-C625 WeakPolarHBondContact O-CB 3.4Å; E622-C625 PolarHBondContact O-N 3.46Å; C625-V627 VanDerWaalsContact C-N 3.34Å; C625-V627 PolarHBondContact O-N 3.07Å; C625-P628 VanDerWaalsContact O-CD 3.28Å; C625-P628 WeakPolarHBondContact O-CD 3.39Å; C625-P628 WeakPolarHBondContact O-CG 3.24Å; C625-V629 VanDerWaalsContact O-CG2 3.26Å; C625-V629 WeakPolarHBondContact O-CG2 3.22Å; C625-L663 HydrophobicContact CB-CB 4.01Å; C625-L663 HydrophobicContact CB-CD2 3.84Å
626	M	98.2	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-71.3	-23.7	-178.8	-71	-59.4	-73.1	0	0	114.1	Y280 F409 L424 E622 P623 E624 V629 I630	Y280-M626 HydrophobicContact CE1-CG 4.49Å; Y280-M626 WeakPolarHBondContact OH-CG 3.47Å; F409-M626 HydrophobicContact CB-CE 4.08Å; F409-M626 HydrophobicContact CD1-CE 3.94Å; F409-M626 HydrophobicContact CD2-CE 3.47Å; F409-M626 VanDerWaalsContact CD2-CE 3.47Å; F409-M626 HydrophobicContact CE1-CE 4.21Å; F409-M626 HydrophobicContact CE2-CE 3.78Å; F409-M626 HydrophobicContact CG-CE 3.56Å; F409-M626 HydrophobicContact CZ-CE 4.15Å; L424-M626 HydrophobicContact CD1-CE 4.01Å; L424-M626 HydrophobicContact CD1-SD 4.08Å; E622-M626 WeakPolarHBondContact O-CG 3.19Å; E622-M626 PolarHBondContact O-N 2.96Å; E622-M626 VanDerWaalsContact O-N 3.07Å; P623-M626 PolarHBondContact O-N 2.86Å; E624-M626 PolarHBondContact O-N 3.34Å; M626-V629 HydrophobicContact CE-CG1 4.29Å; M626-V629 PolarHBondContact O-N 3.27Å; M626-V629 HydrophobicContact SD-CB 4.21Å; M626-V629 HydrophobicContact SD-CG1 4.13Å; M626-I630 HydrophobicContact CE-CG2 4.17Å; M626-I630 WeakPolarHBondContact O-CG1 3.48Å; M626-I630 PolarHBondContact O-N 3.16Å; M626-I630 VanDerWaalsContact O-N 3.17Å
627	V	98.4	Very high	97.1	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-55.3	-47.3	-178.3	-177.8	0	0	0	0	113.6	R401 M402 A405 C596 A599 E624 C625	R401-V627 HydrophobicContact CB-CG1 4.32Å; R401-V627 HydrophobicContact CB-CG2 4.49Å; M402-V627 HydrophobicContact CG-CG2 3.98Å; A405-V627 HydrophobicContact CB-CB 4.39Å; A405-V627 HydrophobicContact CB-CG2 4Å; C596-V627 WeakPolarHBondContact O-CG1 3.3Å; A599-V627 HydrophobicContact CB-CG1 4.44Å; E624-V627 PolarHBondContact O-N 2.98Å; C625-V627 VanDerWaalsContact C-N 3.34Å; C625-V627 PolarHBondContact O-N 3.07Å
628	P	98.2	Very high	97.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-74.8	-33.4	170.2	27	-35.1	0	0	0	113.9	L497 C499 A599 I612 I614 C625 I630 L631	L497-P628 HydrophobicContact CD2-CB 3.78Å; C499-P628 HydrophobicContact CB-CG 4.35Å; A599-P628 HydrophobicContact CB-CB 3.66Å; A599-P628 HydrophobicContact CB-CG 4.49Å; I612-P628 WeakPolarHBondContact CD1-O 3.48Å; I612-P628 HydrophobicContact CG2-CB 4.32Å; I614-P628 HydrophobicContact CD1-CG 3.68Å; I614-P628 HydrophobicContact CG1-CG 4.38Å; C625-P628 VanDerWaalsContact O-CD 3.28Å; C625-P628 WeakPolarHBondContact O-CD 3.39Å; C625-P628 WeakPolarHBondContact O-CG 3.24Å; P628-I630 VanDerWaalsContact C-N 3.33Å; P628-I630 PolarHBondContact O-N 3.39Å; P628-L631 WeakPolarHBondContact O-CB 3.46Å; P628-L631 PolarHBondContact O-N 3.38Å; P628-L631 VanDerWaalsContact O-N 3.17Å
629	V	98.3	Very high	97.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.4	-37.5	-172	171.7	0	0	0	0	112.4	V416 L424 I614 C625 M626 L631 A633 L636	V416-V629 HydrophobicContact CG1-CG1 3.76Å; L424-V629 HydrophobicContact CD1-CG1 4.18Å; I614-V629 HydrophobicContact CD1-CG2 4.13Å; C625-V629 VanDerWaalsContact O-CG2 3.26Å; C625-V629 WeakPolarHBondContact O-CG2 3.22Å; M626-V629 HydrophobicContact CE-CG1 4.29Å; M626-V629 PolarHBondContact O-N 3.27Å; M626-V629 HydrophobicContact SD-CB 4.21Å; M626-V629 HydrophobicContact SD-CG1 4.13Å; V629-L631 PolarHBondContact O-N 3.48Å; V629-L631 VanDerWaalsContact O-N 3.1Å; V629-A633 HydrophobicContact CG1-CB 4.28Å; V629-A633 WeakPolarHBondContact O-CB 3Å; V629-A633 PolarHBondContact O-N 3.06Å; V629-L636 HydrophobicContact CG1-CD2 4.17Å; V629-L636 HydrophobicContact CG2-CD1 3.89Å; V629-L636 HydrophobicContact CG2-CD2 3.75Å
630	I	97.3	Very high	97.4	Very high	20 Å²	20	8.8 Å²	8.8	10%	0.103	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	2	179.8	59.3	69.1	0	0	0	114.7	A405 T408 F409 S415 M626 P628 G632	A405-I630 HydrophobicContact CB-CG1 3.87Å; T408-I630 HydrophobicContact CG2-CB 4.03Å; T408-I630 HydrophobicContact CG2-CD1 4.23Å; T408-I630 HydrophobicContact CG2-CG1 4.31Å; F409-I630 HydrophobicContact CB-CG2 3.86Å; S415-I630 WeakPolarHBondContact CA-O 3.26Å; S415-I630 VanDerWaalsContact CB-O 3.31Å; S415-I630 WeakPolarHBondContact CB-O 3.42Å; S415-I630 CarbonylContact O-C 3.59Å; S415-I630 VanDerWaalsContact O-C 3.3Å; M626-I630 HydrophobicContact CE-CG2 4.17Å; M626-I630 WeakPolarHBondContact O-CG1 3.48Å; M626-I630 PolarHBondContact O-N 3.16Å; M626-I630 VanDerWaalsContact O-N 3.17Å; P628-I630 VanDerWaalsContact C-N 3.33Å; P628-I630 PolarHBondContact O-N 3.39Å; I630-G632 PolarHBondContact O-N 2.9Å
631	L	97.3	Very high	97.3	Very high	13 Å²	13	8.8 Å²	8.8	7%	0.068	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	34	178.1	-57.1	174.6	0	0	0	112.7	L497 A599 Q608 F609 P628 V629	L497-L631 HydrophobicContact CD2-CD1 3.93Å; A599-L631 HydrophobicContact CB-CD1 4.03Å; Q608-L631 CarbonylContact C-O 3.56Å; Q608-L631 WeakPolarHBondContact CA-O 3.41Å; F609-L631 HydrophobicContact CD2-CB 3.84Å; F609-L631 HydrophobicContact CD2-CD1 4.03Å; F609-L631 HydrophobicContact CE2-CD1 4.2Å; F609-L631 PolarHBondContact N-O 2.82Å; P628-L631 WeakPolarHBondContact O-CB 3.46Å; P628-L631 PolarHBondContact O-N 3.38Å; P628-L631 VanDerWaalsContact O-N 3.17Å; V629-L631 PolarHBondContact O-N 3.48Å; V629-L631 VanDerWaalsContact O-N 3.1Å
632	G	95.4	Very high	96.8	Very high	2 Å²	2	10.9 Å²	10.9	2%	0.021	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	28.5	174.2	0	0	0	0	0	115.3	S415 Q608 I630 K634	S415-G632 CarbonylContact O-C 3.52Å; S415-G632 WeakPolarHBondContact O-CA 3.41Å; S415-G632 PolarHBondContact O-N 3.14Å; Q608-G632 VanDerWaalsContact OE1-CA 3.28Å; I630-G632 PolarHBondContact O-N 2.9Å; G632-K634 WeakPolarHBondContact O-CG 3.32Å; G632-K634 PolarHBondContact O-N 3.42Å
633	A	97.4	Very high	96.4	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-61	126.2	-172.2	0	0	0	0	0	113.5	S415 V416 S417 I420 I612 V629	S415-A633 PolarHBondContact O-N 3.19Å; V416-A633 HydrophobicContact CG1-CB 4.44Å; S417-A633 PolarHBondContact N-O 3.41Å; I420-A633 HydrophobicContact CD1-CB 4.24Å; I612-A633 HydrophobicContact CD1-CB 3.85Å; I612-A633 HydrophobicContact CG1-CB 4.4Å; V629-A633 HydrophobicContact CG1-CB 4.28Å; V629-A633 WeakPolarHBondContact O-CB 3Å; V629-A633 PolarHBondContact O-N 3.06Å
634	K	96.9	Very high	95.9	Very high	101 Å²	101	11.9 Å²	11.9	44%	0.439	6%	0.057	S	C	.	.	S	Bend	trans	-126.7	-10.8	173.5	-44.6	-167.2	178.5	-178.7	0	113	R610 G632	R610-K634 HydrophobicContact CG-CB 4.01Å; R610-K634 HydrophobicContact CG-CG 4.4Å; R610-K634 CarbonylContact O-C 3.5Å; R610-K634 WeakPolarHBondContact O-CA 3.25Å; R610-K634 PolarHBondContact O-N 3.35Å; G632-K634 WeakPolarHBondContact O-CG 3.32Å; G632-K634 PolarHBondContact O-N 3.42Å
635	Q	97.8	Very high	95.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	108.1	167.9	-173.2	161.5	19.4	0	0	108.6	I434 V461 L462 R464 P465 R610 S611 I612 I637	I434-Q635 HydrophobicContact CD1-CB 4.19Å; I434-Q635 HydrophobicContact CD1-CG 4.07Å; V461-Q635 PolarHBondContact O-NE2 2.98Å; L462-Q635 PolarHBondContact O-NE2 2.93Å; R464-Q635 WeakPolarHBondContact O-CG 3.49Å; R464-Q635 PolarHBondContact O-NE2 3.03Å; P465-Q635 CarbonylContact O-C 3.59Å; P465-Q635 WeakPolarHBondContact O-CA 3.15Å; R610-Q635 PolarHBondContact O-N 3.06Å; S611-Q635 WeakPolarHBondContact CA-O 3.3Å; I612-Q635 PolarHBondContact N-O 3.48Å; Q635-I637 HydrophobicContact CG-CD1 4.19Å
636	L	98.4	Very high	94.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.1	-176.2	179.5	60.5	0	0	0	110.7	I420 P465 L466 S467 I612 I614 V629 L638	I420-L636 HydrophobicContact CD1-CB 4Å; P465-L636 PolarHBondContact O-N 3.24Å; L466-L636 WeakPolarHBondContact CA-O 3.26Å; L466-L636 HydrophobicContact CD1-CB 4.07Å; L466-L636 HydrophobicContact CD1-CD2 4.01Å; L466-L636 HydrophobicContact CD1-CG 4.08Å; S467-L636 PolarHBondContact N-O 2.81Å; I612-L636 HydrophobicContact CB-CD1 4.1Å; I612-L636 HydrophobicContact CG2-CD1 4.21Å; I612-L636 WeakPolarHBondContact O-CA 3.47Å; I614-L636 HydrophobicContact CD1-CD1 4.38Å; I614-L636 HydrophobicContact CG1-CD1 4.43Å; V629-L636 HydrophobicContact CG1-CD2 4.17Å; V629-L636 HydrophobicContact CG2-CD1 3.89Å; V629-L636 HydrophobicContact CG2-CD2 3.75Å; L636-L638 HydrophobicContact CD1-CD2 3.88Å; L636-L638 HydrophobicContact CD2-CD2 4.27Å; L636-L638 HydrophobicContact CG-CD2 4.04Å; L636-L638 HydrophobicContact CG-CG 4.28Å
637	I	98.6	Very high	94.1	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.9	177.7	-49.7	82.8	0	0	0	108	V461 S467 I469 V484 L488 I612 L613 I614 Q635 V639	V461-I637 HydrophobicContact CG1-CB 4.38Å; V461-I637 HydrophobicContact CG1-CD1 4.46Å; V461-I637 HydrophobicContact CG1-CG1 3.44Å; V461-I637 VanDerWaalsContact CG1-CG1 3.44Å; V461-I637 HydrophobicContact CG1-CG2 3.96Å; S467-I637 WeakPolarHBondContact O-CA 3.1Å; I469-I637 HydrophobicContact CD1-CG2 4.08Å; I469-I637 HydrophobicContact CG1-CG2 4.37Å; V484-I637 HydrophobicContact CG1-CG1 4.33Å; L488-I637 HydrophobicContact CD1-CD1 3.89Å; I612-I637 VanDerWaalsContact O-CD1 3.28Å; I612-I637 WeakPolarHBondContact O-CD1 3.5Å; I612-I637 PolarHBondContact O-N 2.83Å; L613-I637 CarbonylContact C-O 3.38Å; L613-I637 WeakPolarHBondContact CA-O 3.38Å; L613-I637 HydrophobicContact CB-CB 4.23Å; L613-I637 HydrophobicContact CD1-CB 4.02Å; L613-I637 HydrophobicContact CD1-CG2 3.91Å; L613-I637 HydrophobicContact CG-CB 4.03Å; L613-I637 HydrophobicContact CG-CG2 4.24Å; I614-I637 PolarHBondContact N-O 3.2Å; Q635-I637 HydrophobicContact CG-CD1 4.19Å; I637-V639 HydrophobicContact CG2-CG2 3.86Å
638	L	98.4	Very high	93.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.4	173	-54.7	-178.1	0	0	0	108.6	S467 L468 I469 I614 L636 L663 F664 L667	S467-L638 PolarHBondContact O-N 3.18Å; L468-L638 CarbonylContact C-O 3.49Å; L468-L638 WeakPolarHBondContact CA-O 3.5Å; L468-L638 HydrophobicContact CD2-CB 3.78Å; L468-L638 HydrophobicContact CD2-CD1 3.83Å; L468-L638 HydrophobicContact CD2-CG 4.14Å; I469-L638 PolarHBondContact N-O 2.66Å; I614-L638 HydrophobicContact CB-CD2 3.92Å; I614-L638 HydrophobicContact CD1-CD2 3.74Å; I614-L638 HydrophobicContact CG1-CD2 3.95Å; L636-L638 HydrophobicContact CD1-CD2 3.88Å; L636-L638 HydrophobicContact CD2-CD2 4.27Å; L636-L638 HydrophobicContact CG-CD2 4.04Å; L636-L638 HydrophobicContact CG-CG 4.28Å; L638-L663 HydrophobicContact CD1-CD2 3.87Å; L638-L663 HydrophobicContact CD1-CG 3.94Å; L638-F664 HydrophobicContact CB-CD2 3.94Å; L638-L667 HydrophobicContact CD1-CD1 3.88Å
639	V	97.5	Very high	92.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.8	-176.9	-174.5	0	0	0	0	108	I469 K477 L613 I614 D615 E616 S617 I637	I469-V639 HydrophobicContact CB-CB 4.46Å; I469-V639 HydrophobicContact CB-CG1 4.18Å; I469-V639 HydrophobicContact CB-CG2 4.12Å; I469-V639 HydrophobicContact CD1-CG2 3.95Å; I469-V639 HydrophobicContact CG1-CG2 4.22Å; I469-V639 HydrophobicContact CG2-CG1 4.44Å; K477-V639 HydrophobicContact CB-CG1 4.23Å; K477-V639 HydrophobicContact CD-CG1 3.97Å; K477-V639 HydrophobicContact CG-CG1 4.18Å; L613-V639 HydrophobicContact CD1-CG2 4.19Å; L613-V639 HydrophobicContact CD2-CG2 4.33Å; L613-V639 HydrophobicContact CG-CG2 4.22Å; I614-V639 PolarHBondContact O-N 2.91Å; D615-V639 CarbonylContact C-O 3.59Å; D615-V639 HydrophobicContact CB-CB 4.44Å; D615-V639 WeakPolarHBondContact OD1-CG1 3.3Å; E616-V639 WeakPolarHBondContact CA-O 3.35Å; E616-V639 PolarHBondContact N-O 3.5Å; S617-V639 PolarHBondContact N-O 3.04Å; S617-V639 PolarHBondContact OG-O 3.07Å; I637-V639 HydrophobicContact CG2-CG2 3.86Å
640	G	94.3	Very high	92	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.3	-168	-170.7	0	0	0	0	0	113.1	I469 Q470 G471	I469-G640 PolarHBondContact O-N 3.18Å; Q470-G640 WeakPolarHBondContact CA-O 3.34Å; G471-G640 PolarHBondContact N-O 3.42Å
641	D	91.8	Very high	91.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.			trans	-160.6	107.6	171.8	-173.3	20.6	0	0	0	110.5	Q470 T618 C643 Q644 Y696	Q470-D641 PolarHBondContact NE2-OD1 2.83Å; T618-D641 PolarHBondContact OG1-N 3.31Å; T618-D641 PolarHBondContact OG1-O 3.07Å; D641-C643 PolarHBondContact O-N 3.07Å; D641-C643 WeakPolarHBondContact OD1-CB 3.18Å; D641-C643 PolarHBondContact OD1-N 3.08Å; D641-Q644 HydrophobicContact CB-CB 4.37Å; D641-Q644 HydrophobicContact CB-CG 4.49Å; D641-Q644 PolarHBondContact O-N 2.75Å; D641-Q644 PolarHBondContact OD2-NE2 3.49Å; D641-Y696 PolarHBondContact OD2-OH 2.92Å
642	H	87.4	Confident	90.8	Very high	59 Å²	59	25.5 Å²	25.5	27%	0.273	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.5	-178.8	57.5	-97	0	0	0	113	Q470 T618 Q644 F664 E665 R836	Q470-H642 PolarHBondContact NE2-CE1 3.32Å; T618-H642 HydrophobicContact CG2-CB 4.47Å; H642-Q644 VanDerWaalsContact C-N 3.26Å; H642-F664 AromaticContact ND1-CE1 3.98Å; H642-E665 HydrophobicContact CB-CG 3.65Å; H642-R836 WeakPolarHBondContact O-CD 3.31Å
643	C	87.8	Confident	90.3	Very high	19 Å²	19	29 Å²	29	13%	0.128	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14.6	170.1	-55.1	0	0	0	0	112.3	D641 F695 Y696 R836 N839	D641-C643 PolarHBondContact O-N 3.07Å; D641-C643 WeakPolarHBondContact OD1-CB 3.18Å; D641-C643 PolarHBondContact OD1-N 3.08Å; C643-F695 HydrophobicContact CB-CB 4.38Å; C643-F695 PolarHBondContact SG-O 2.75Å; C643-F695 VanDerWaalsContact SG-O 3.38Å; C643-Y696 HydrophobicContact CB-CD1 4.43Å; C643-Y696 HydrophobicContact CB-CE1 3.52Å; C643-Y696 WeakPolarHBondContact CB-OH 3.25Å; C643-R836 WeakPolarHBondContact O-CA 3.43Å; C643-N839 PolarHBondContact O-ND2 3.03Å
644	Q	87.9	Confident	90	Very high	3 Å²	3	29 Å²	29	1%	0.014	14%	0.143	C	C	.	.	S	Bend	trans	-102.6	-179.2	172	-72.7	176.8	90.5	0	0	110.3	P473 D641 H642 G646 R836 V840	P473-Q644 HydrophobicContact CG-CG 4.37Å; D641-Q644 HydrophobicContact CB-CB 4.37Å; D641-Q644 HydrophobicContact CB-CG 4.49Å; D641-Q644 PolarHBondContact O-N 2.75Å; D641-Q644 PolarHBondContact OD2-NE2 3.49Å; H642-Q644 VanDerWaalsContact C-N 3.26Å; Q644-G646 PolarHBondContact O-N 2.97Å; Q644-R836 WeakPolarHBondContact O-CB 3.33Å; Q644-R836 WeakPolarHBondContact O-CD 3.25Å; Q644-V840 HydrophobicContact CB-CG2 3.76Å; Q644-V840 HydrophobicContact CG-CG2 3.75Å
645	L	82.8	Confident	89.6	Confident	3 Å²	3	25.2 Å²	25.2	2%	0.016	13%	0.132	C	C	.	.			trans	-54.9	132.3	-171.8	-84.4	164.4	0	0	0	113.7	V805 D806 R837 V840	L645-V805 HydrophobicContact CD1-CG1 4.32Å; L645-D806 HydrophobicContact CD1-CB 4.32Å; L645-D806 WeakPolarHBondContact CD1-OD1 3.48Å; L645-D806 WeakPolarHBondContact CD2-OD1 3.5Å; L645-R837 HydrophobicContact CD2-CG 3.63Å; L645-R837 HydrophobicContact CG-CG 4.5Å; L645-V840 HydrophobicContact CD1-CG1 4.46Å; L645-V840 HydrophobicContact CD1-CG2 4.24Å; L645-V840 HydrophobicContact CG-CG2 4.13Å
646	G	86.2	Confident	89.1	Confident	7 Å²	7	32.4 Å²	32.4	7%	0.072	16%	0.163	C	C	.	.			trans	-83.4	-177.3	168.1	0	0	0	0	0	113.2	T618 Q644	T618-G646 VanDerWaalsContact O-CA 3.3Å; T618-G646 WeakPolarHBondContact O-CA 3.39Å; Q644-G646 PolarHBondContact O-N 2.97Å
647	P	88.1	Confident	88.7	Confident	16 Å²	16	32.5 Å²	32.5	10%	0.104	16%	0.164	C	C	.	.			trans	-64	151.7	178.1	27.2	-35.7	0	0	0	113.7	T618 Q619 T621 S660	T618-P647 WeakPolarHBondContact O-CD 3.28Å; Q619-P647 VanDerWaalsContact O-CA 3.24Å; Q619-P647 WeakPolarHBondContact O-CA 3.41Å; Q619-P647 WeakPolarHBondContact O-CB 3.45Å; T621-P647 HydrophobicContact CG2-CB 3.76Å; T621-P647 HydrophobicContact CG2-CG 4.29Å; P647-S660 WeakPolarHBondContact CG-O 3.48Å
648	V	83.6	Confident	88.4	Confident	76 Å²	76	33.1 Å²	33.1	46%	0.461	17%	0.17	S	C	.	.			trans	-91.4	117.6	172.6	-178.7	0	0	0	0	108.6	M650	V648-M650 HydrophobicContact CG1-CE 3.89Å; V648-M650 HydrophobicContact CG1-SD 4.06Å
649	V	86.2	Confident	88.3	Confident	25 Å²	25	33.3 Å²	33.3	15%	0.152	17%	0.171	C	C	.	.			trans	-124.3	120.7	176	-178	0	0	0	0	107.5	E291 T621 A654 A655 L659	E291-V649 VanDerWaalsContact OE2-CG1 3.27Å; E291-V649 WeakPolarHBondContact OE2-CG1 3.36Å; T621-V649 HydrophobicContact CG2-CG2 4.16Å; V649-A654 HydrophobicContact CG1-CB 4.33Å; V649-A655 HydrophobicContact CB-CB 4.05Å; V649-A655 HydrophobicContact CG1-CB 3.85Å; V649-L659 HydrophobicContact CG1-CB 4.45Å; V649-L659 HydrophobicContact CG1-CD2 4.06Å; V649-L659 HydrophobicContact CG1-CG 4.43Å; V649-L659 HydrophobicContact CG2-CB 4.5Å; V649-L659 HydrophobicContact CG2-CG 4.22Å
650	M	80.8	Confident	88	Confident	49 Å²	49	35.6 Å²	35.6	24%	0.241	19%	0.187	C	C	.	.			trans	-83.5	-39.8	-174	-57.7	-61.8	-168.9	0	0	111.6	E291 Y294 V648 K652	E291-M650 WeakPolarHBondContact OE1-CB 3.41Å; E291-M650 PolarHBondContact OE1-N 3.22Å; E291-M650 PolarHBondContact OE2-N 3.39Å; Y294-M650 HydrophobicContact CD1-CB 3.79Å; Y294-M650 HydrophobicContact CE1-CB 3.86Å; V648-M650 HydrophobicContact CG1-CE 3.89Å; V648-M650 HydrophobicContact CG1-SD 4.06Å; M650-K652 PolarHBondContact O-N 3.5Å; M650-K652 VanDerWaalsContact O-N 3.14Å
651	C	83.4	Confident	88	Confident	10 Å²	10	37.9 Å²	37.9	7%	0.068	20%	0.198	C	C	.	.			trans	-72.7	104.5	178.6	-175.7	0	0	0	0	110.5	L290 E291 Y294 K653 A654 A655	L290-C651 PolarHBondContact O-SG 3.12Å; E291-C651 WeakPolarHBondContact OE2-CA 3.23Å; E291-C651 WeakPolarHBondContact OE2-CB 3.39Å; E291-C651 PolarHBondContact OE2-N 2.73Å; Y294-C651 HydrophobicContact CD1-CB 4.31Å; Y294-C651 HydrophobicContact CD2-CB 4.39Å; Y294-C651 HydrophobicContact CG-CB 3.93Å; C651-K653 PolarHBondContact O-N 2.83Å; C651-A654 HydrophobicContact CB-CB 4.04Å; C651-A654 PolarHBondContact O-N 2.59Å; C651-A655 PolarHBondContact O-N 3.1Å
652	K	85.6	Confident	88.3	Confident	164 Å²	164	37.9 Å²	37.9	71%	0.713	20%	0.198	S	C	*	.	H	α-helix	trans	-61.4	-26.4	-178	-67.5	174.2	-175.4	166.3	0	113.7	M650 K656	M650-K652 PolarHBondContact O-N 3.5Å; M650-K652 VanDerWaalsContact O-N 3.14Å; K652-K656 WeakPolarHBondContact O-CB 3.17Å; K652-K656 WeakPolarHBondContact O-CG 3.21Å; K652-K656 PolarHBondContact O-N 3.02Å
653	K	86.2	Confident	88.7	Confident	74 Å²	74	35.1 Å²	35.1	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-66.7	-50.9	171.2	-69.9	-163.4	175.6	-167.5	0	110.4	D264 C651 A655 K656 A657	D264-K653 IonicContact OD1-NZ 3.78Å; D264-K653 PolarHBondContact OD1-NZ 3.03Å; C651-K653 PolarHBondContact O-N 2.83Å; K653-A655 PolarHBondContact O-N 3.25Å; K653-K656 PolarHBondContact O-N 3.34Å; K653-A657 PolarHBondContact O-N 3.22Å; K653-A657 VanDerWaalsContact O-N 3.11Å
654	A	89.8	Confident	89.2	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.9	-39.1	179	0	0	0	0	0	113.2	L287 L290 V649 C651 A657 G658 L659	L287-A654 HydrophobicContact CD2-CB 4.42Å; L290-A654 HydrophobicContact CB-CB 4.21Å; V649-A654 HydrophobicContact CG1-CB 4.33Å; C651-A654 HydrophobicContact CB-CB 4.04Å; C651-A654 PolarHBondContact O-N 2.59Å; A654-A657 PolarHBondContact O-N 3.26Å; A654-G658 PolarHBondContact O-N 3.4Å; A654-L659 HydrophobicContact CB-CB 4.31Å; A654-L659 HydrophobicContact CB-CD2 3.92Å; A654-L659 VanDerWaalsContact O-CB 3.29Å; A654-L659 WeakPolarHBondContact O-CB 3.42Å; A654-L659 PolarHBondContact O-N 3.11Å
655	A	88.1	Confident	89.6	Confident	23 Å²	23	35.5 Å²	35.5	19%	0.19	19%	0.185	C	C	.	.	I	π-helix	trans	-60.9	-48.5	175.6	0	0	0	0	0	112	V649 C651 K653 A657 G658 S660	V649-A655 HydrophobicContact CB-CB 4.05Å; V649-A655 HydrophobicContact CG1-CB 3.85Å; C651-A655 PolarHBondContact O-N 3.1Å; K653-A655 PolarHBondContact O-N 3.25Å; A655-A657 PolarHBondContact O-N 2.92Å; A655-G658 PolarHBondContact O-N 2.79Å; A655-S660 PolarHBondContact O-OG 3.3Å
656	K	88.3	Confident	90.2	Very high	150 Å²	150	35.4 Å²	35.4	65%	0.652	18%	0.184	S	C	*	.	I	π-helix	trans	-56.5	-46.8	174.8	-82.5	178	169.6	-167.6	0	112.4	H269 K652 K653 G658	H269-K656 PolarHBondContact CE1-O 3.42Å; K652-K656 WeakPolarHBondContact O-CB 3.17Å; K652-K656 WeakPolarHBondContact O-CG 3.21Å; K652-K656 PolarHBondContact O-N 3.02Å; K653-K656 PolarHBondContact O-N 3.34Å; K656-G658 PolarHBondContact O-N 3.05Å
657	A	90.4	Very high	90.7	Very high	3 Å²	3	35 Å²	35	3%	0.025	18%	0.181	C	C	.	.	I	π-helix	trans	-64.6	-18.5	-177.1	0	0	0	0	0	113.3	P267 H269 V270 L287 K653 A654 A655	P267-A657 HydrophobicContact CG-CB 4.01Å; H269-A657 CarbonylContact C-O 3.58Å; H269-A657 WeakPolarHBondContact CA-O 3.44Å; H269-A657 PolarHBondContact ND1-O 2.8Å; V270-A657 PolarHBondContact N-O 2.91Å; L287-A657 HydrophobicContact CD1-CB 4.33Å; L287-A657 HydrophobicContact CD2-CB 3.5Å; K653-A657 PolarHBondContact O-N 3.22Å; K653-A657 VanDerWaalsContact O-N 3.11Å; A654-A657 PolarHBondContact O-N 3.26Å; A655-A657 PolarHBondContact O-N 2.92Å
658	G	92.8	Very high	91.1	Very high	13 Å²	13	36.2 Å²	36.2	13%	0.134	19%	0.188	C	C	.	.	I	π-helix	trans	128.4	0.3	169.6	0	0	0	0	0	115.1	A654 A655 K656 S660 Q661	A654-G658 PolarHBondContact O-N 3.4Å; A655-G658 PolarHBondContact O-N 2.79Å; K656-G658 PolarHBondContact O-N 3.05Å; G658-S660 PolarHBondContact O-N 3.44Å; G658-Q661 WeakPolarHBondContact O-CB 3.44Å; G658-Q661 PolarHBondContact O-N 3.3Å
659	L	94.8	Very high	91.6	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.192	C	C	.	.	I	π-helix	trans	-60.7	-19.8	179.6	-171.6	62.1	0	0	0	113.1	F284 L287 V288 E291 T621 P623 V649 A654 Q661	F284-L659 HydrophobicContact CD1-CD1 4.36Å; L287-L659 HydrophobicContact CB-CB 4.37Å; L287-L659 HydrophobicContact CB-CD1 4.39Å; L287-L659 HydrophobicContact CB-CD2 4.3Å; V288-L659 HydrophobicContact CG2-CD1 4.44Å; E291-L659 HydrophobicContact CB-CD2 3.97Å; T621-L659 HydrophobicContact CG2-CD1 4.44Å; T621-L659 HydrophobicContact CG2-CG 4.35Å; P623-L659 HydrophobicContact CG-CD1 4.04Å; V649-L659 HydrophobicContact CG1-CB 4.45Å; V649-L659 HydrophobicContact CG1-CD2 4.06Å; V649-L659 HydrophobicContact CG1-CG 4.43Å; V649-L659 HydrophobicContact CG2-CB 4.5Å; V649-L659 HydrophobicContact CG2-CG 4.22Å; A654-L659 HydrophobicContact CB-CB 4.31Å; A654-L659 HydrophobicContact CB-CD2 3.92Å; A654-L659 VanDerWaalsContact O-CB 3.29Å; A654-L659 WeakPolarHBondContact O-CB 3.42Å; A654-L659 PolarHBondContact O-N 3.11Å; L659-Q661 VanDerWaalsContact C-N 3.29Å; L659-Q661 PolarHBondContact O-N 3.23Å
660	S	92.7	Very high	91.9	Very high	50 Å²	50	37.9 Å²	37.9	35%	0.35	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.3	174.1	61.8	0	0	0	0	114.8	P647 A655 G658	P647-S660 WeakPolarHBondContact CG-O 3.48Å; A655-S660 PolarHBondContact O-OG 3.3Å; G658-S660 PolarHBondContact O-N 3.44Å
661	Q	93.9	Very high	92.5	Very high	48 Å²	48	38 Å²	38	22%	0.224	21%	0.209	C	C	.	.	S	Bend	trans	-87.1	130.5	168.5	-171.4	174.6	30.9	0	0	109.3	G658 L659 E665 R666	G658-Q661 WeakPolarHBondContact O-CB 3.44Å; G658-Q661 PolarHBondContact O-N 3.3Å; L659-Q661 VanDerWaalsContact C-N 3.29Å; L659-Q661 PolarHBondContact O-N 3.23Å; Q661-E665 HydrophobicContact CG-CB 3.95Å; Q661-R666 HydrophobicContact CG-CB 4.34Å
662	S	96.9	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.			trans	-81.2	153.9	172.4	66.1	0	0	0	0	111.6	A620 F664 E665 R666	A620-S662 VanDerWaalsContact O-CB 3.31Å; A620-S662 WeakPolarHBondContact O-CB 3.22Å; S662-F664 PolarHBondContact O-N 2.77Å; S662-F664 VanDerWaalsContact O-N 3.16Å; S662-E665 VanDerWaalsContact CB-OE2 3.31Å; S662-E665 WeakPolarHBondContact CB-OE2 3.45Å; S662-E665 PolarHBondContact N-OE2 3.33Å; S662-E665 PolarHBondContact O-N 3.08Å; S662-E665 VanDerWaalsContact OG-CD 3.3Å; S662-E665 WeakPolarHBondContact OG-CG 3.35Å; S662-E665 PolarHBondContact OG-N 2.77Å; S662-E665 PolarHBondContact OG-OE2 3.31Å; S662-R666 PolarHBondContact O-N 3.43Å
663	L	97.6	Very high	93.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.2	-36.4	174.3	175.2	61.4	0	0	0	111.9	L424 E622 C625 L638 L667	L424-L663 HydrophobicContact CD2-CD1 3.69Å; L424-L663 HydrophobicContact CD2-CD2 4.04Å; L424-L663 HydrophobicContact CD2-CG 4.4Å; E622-L663 HydrophobicContact CB-CB 4.15Å; E622-L663 HydrophobicContact CG-CB 3.97Å; E622-L663 HydrophobicContact CG-CD1 4.15Å; E622-L663 VanDerWaalsContact OE1-CD1 3.28Å; E622-L663 WeakPolarHBondContact OE1-CD1 3.47Å; C625-L663 HydrophobicContact CB-CB 4.01Å; C625-L663 HydrophobicContact CB-CD2 3.84Å; L638-L663 HydrophobicContact CD1-CD2 3.87Å; L638-L663 HydrophobicContact CD1-CG 3.94Å; L663-L667 HydrophobicContact CD1-CD1 3.86Å; L663-L667 HydrophobicContact CD1-CG 4Å; L663-L667 HydrophobicContact CG-CD1 3.92Å; L663-L667 HydrophobicContact CG-CG 4.46Å; L663-L667 WeakPolarHBondContact O-CB 3.49Å; L663-L667 VanDerWaalsContact O-CG 3.23Å; L663-L667 WeakPolarHBondContact O-CG 3.29Å; L663-L667 PolarHBondContact O-N 3.4Å
664	F	97.5	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-46.8	175.8	-172.2	-71.4	0	0	0	111.3	L468 I469 Q470 S617 T618 L638 H642 S662 L667 V668 P674	L468-F664 HydrophobicContact CB-CD2 4.4Å; L468-F664 HydrophobicContact CB-CE2 3.85Å; L468-F664 HydrophobicContact CB-CZ 4.05Å; L468-F664 HydrophobicContact CD2-CD2 4.19Å; L468-F664 HydrophobicContact CD2-CE2 4.46Å; I469-F664 WeakPolarHBondContact O-CE2 3.29Å; Q470-F664 HydrophobicContact CB-CZ 4.37Å; S617-F664 WeakPolarHBondContact OG-CD2 3.38Å; T618-F664 HydrophobicContact CG2-CB 3.71Å; T618-F664 HydrophobicContact CG2-CD1 3.65Å; T618-F664 HydrophobicContact CG2-CD2 4.35Å; T618-F664 HydrophobicContact CG2-CE1 4.36Å; T618-F664 HydrophobicContact CG2-CG 3.66Å; L638-F664 HydrophobicContact CB-CD2 3.94Å; H642-F664 AromaticContact ND1-CE1 3.98Å; S662-F664 PolarHBondContact O-N 2.77Å; S662-F664 VanDerWaalsContact O-N 3.16Å; F664-L667 PolarHBondContact O-N 3.03Å; F664-V668 HydrophobicContact CD1-CG2 4Å; F664-V668 HydrophobicContact CE1-CG2 3.81Å; F664-V668 WeakPolarHBondContact O-CG2 3.27Å; F664-V668 PolarHBondContact O-N 3.15Å; F664-P674 HydrophobicContact CE1-CB 4.48Å; F664-P674 HydrophobicContact CZ-CB 4.04Å
665	E	95.2	Very high	94.3	Very high	31 Å²	31	41 Å²	41	15%	0.145	22%	0.221	C	C	.	.	H	α-helix	trans	-64.1	-44.4	178.5	-73.4	159.7	132.3	0	0	111.8	H642 Q661 S662 L667 V668 V669 R836	H642-E665 HydrophobicContact CB-CG 3.65Å; Q661-E665 HydrophobicContact CG-CB 3.95Å; S662-E665 VanDerWaalsContact CB-OE2 3.31Å; S662-E665 WeakPolarHBondContact CB-OE2 3.45Å; S662-E665 PolarHBondContact N-OE2 3.33Å; S662-E665 PolarHBondContact O-N 3.08Å; S662-E665 VanDerWaalsContact OG-CD 3.3Å; S662-E665 WeakPolarHBondContact OG-CG 3.35Å; S662-E665 PolarHBondContact OG-N 2.77Å; S662-E665 PolarHBondContact OG-OE2 3.31Å; E665-L667 PolarHBondContact O-N 3.04Å; E665-V668 PolarHBondContact O-N 2.99Å; E665-V669 WeakPolarHBondContact O-CG2 3.36Å; E665-V669 PolarHBondContact O-N 2.9Å; E665-R836 IonicContact OE1-NH1 3.72Å
666	R	96.9	Very high	94.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-42.2	178.2	-167.3	178.6	62.6	81.3	4	112	L271 L272 L424 E622 Q661 S662 V668 V669 L670	L271-R666 WeakPolarHBondContact O-CD 3.26Å; L272-R666 HydrophobicContact CD2-CG 4.21Å; L272-R666 PolarHBondContact O-NH1 3.08Å; L424-R666 VanDerWaalsContact O-CZ 3.31Å; L424-R666 PolarHBondContact O-NH1 3.26Å; L424-R666 PolarHBondContact O-NH2 3.01Å; E622-R666 VanDerWaalsContact CD-NE 3.31Å; E622-R666 IonicContact OE1-CZ 3.15Å; E622-R666 IonicContact OE1-NE 2.65Å; E622-R666 PolarHBondContact OE1-NE 2.82Å; E622-R666 IonicContact OE1-NH2 3.69Å; E622-R666 PolarHBondContact OE1-NH2 3.37Å; E622-R666 IonicContact OE2-CZ 2.72Å; E622-R666 IonicContact OE2-NE 3.91Å; E622-R666 PolarHBondContact OE2-NE 2.99Å; E622-R666 IonicContact OE2-NH2 2.81Å; Q661-R666 HydrophobicContact CG-CB 4.34Å; S662-R666 PolarHBondContact O-N 3.43Å; R666-V668 PolarHBondContact O-N 2.86Å; R666-V669 PolarHBondContact O-N 3.1Å; R666-L670 PolarHBondContact O-N 3.33Å
667	L	96.8	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67.1	-32.7	176.4	-68.5	172.6	0	0	0	113.1	L424 L466 L468 L638 L663 F664 E665 L670 I672	L424-L667 HydrophobicContact CD2-CD1 4.42Å; L466-L667 HydrophobicContact CD2-CD1 4.45Å; L468-L667 HydrophobicContact CD1-CB 3.92Å; L468-L667 HydrophobicContact CD2-CB 4.48Å; L468-L667 HydrophobicContact CD2-CD1 4.12Å; L638-L667 HydrophobicContact CD1-CD1 3.88Å; L663-L667 HydrophobicContact CD1-CD1 3.86Å; L663-L667 HydrophobicContact CD1-CG 4Å; L663-L667 HydrophobicContact CG-CD1 3.92Å; L663-L667 HydrophobicContact CG-CG 4.46Å; L663-L667 WeakPolarHBondContact O-CB 3.49Å; L663-L667 VanDerWaalsContact O-CG 3.23Å; L663-L667 WeakPolarHBondContact O-CG 3.29Å; L663-L667 PolarHBondContact O-N 3.4Å; F664-L667 PolarHBondContact O-N 3.03Å; E665-L667 PolarHBondContact O-N 3.04Å; L667-L670 HydrophobicContact CD2-CD1 4.18Å; L667-L670 PolarHBondContact O-N 3.3Å; L667-I672 HydrophobicContact CB-CD1 4.26Å; L667-I672 HydrophobicContact CD2-CD1 3.96Å; L667-I672 VanDerWaalsContact O-CB 3.28Å; L667-I672 WeakPolarHBondContact O-CB 3.37Å; L667-I672 WeakPolarHBondContact O-CG1 3.36Å; L667-I672 PolarHBondContact O-N 2.86Å
668	V	95.5	Very high	95.2	Very high	40 Å²	40	39.8 Å²	39.8	24%	0.242	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-41.7	171.2	172.1	0	0	0	0	111.2	L468 F664 E665 R666 L670 G671 P674	L468-V668 HydrophobicContact CD1-CG2 3.71Å; F664-V668 HydrophobicContact CD1-CG2 4Å; F664-V668 HydrophobicContact CE1-CG2 3.81Å; F664-V668 WeakPolarHBondContact O-CG2 3.27Å; F664-V668 PolarHBondContact O-N 3.15Å; E665-V668 PolarHBondContact O-N 2.99Å; R666-V668 PolarHBondContact O-N 2.86Å; V668-L670 VanDerWaalsContact C-N 3.31Å; V668-L670 PolarHBondContact O-N 2.87Å; V668-G671 WeakPolarHBondContact O-CA 3.43Å; V668-G671 PolarHBondContact O-N 3.46Å; V668-P674 HydrophobicContact CG2-CG 4.14Å
669	V	94.1	Very high	95.4	Very high	90 Å²	90	39.7 Å²	39.7	55%	0.545	21%	0.207	S	C	.	.	H	α-helix	trans	-66.5	-32	176.7	176.7	0	0	0	0	111.9	L272 E665 R666 G671	L272-V669 HydrophobicContact CD1-CG1 3.86Å; L272-V669 HydrophobicContact CD2-CB 4.17Å; L272-V669 HydrophobicContact CD2-CG1 3.6Å; L272-V669 HydrophobicContact CG-CG1 4.41Å; E665-V669 WeakPolarHBondContact O-CG2 3.36Å; E665-V669 PolarHBondContact O-N 2.9Å; R666-V669 PolarHBondContact O-N 3.1Å; V669-G671 PolarHBondContact O-N 2.7Å; V669-G671 VanDerWaalsContact O-N 3.16Å
670	L	93.6	Very high	95.4	Very high	46 Å²	46	39.5 Å²	39.5	24%	0.241	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	0.9	167.8	-78.8	168.4	0	0	0	114.3	L272 R273 R666 L667 V668	L272-L670 HydrophobicContact CB-CD2 4.16Å; L272-L670 WeakPolarHBondContact O-CD1 3.29Å; R273-L670 HydrophobicContact CG-CD2 3.96Å; R666-L670 PolarHBondContact O-N 3.33Å; L667-L670 HydrophobicContact CD2-CD1 4.18Å; L667-L670 PolarHBondContact O-N 3.3Å; V668-L670 VanDerWaalsContact C-N 3.31Å; V668-L670 PolarHBondContact O-N 2.87Å
671	G	93.5	Very high	95.6	Very high	51 Å²	51	41.4 Å²	41.4	53%	0.526	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.3	4.1	175	0	0	0	0	0	115.4	V668 V669 R673	V668-G671 WeakPolarHBondContact O-CA 3.43Å; V668-G671 PolarHBondContact O-N 3.46Å; V669-G671 PolarHBondContact O-N 2.7Å; V669-G671 VanDerWaalsContact O-N 3.16Å; G671-R673 PolarHBondContact O-N 3.01Å
672	I	94.4	Very high	95.6	Very high	42 Å²	42	40.2 Å²	40.2	22%	0.215	20%	0.199	C	C	.	.			trans	-71.9	97.8	174.9	-53.7	-170.8	0	0	0	109	L466 L468 L667 P674	L466-I672 HydrophobicContact CD2-CD1 3.8Å; L468-I672 HydrophobicContact CD1-CB 4.02Å; L468-I672 HydrophobicContact CD1-CG2 3.86Å; L468-I672 HydrophobicContact CG-CG2 3.97Å; L667-I672 HydrophobicContact CB-CD1 4.26Å; L667-I672 HydrophobicContact CD2-CD1 3.96Å; L667-I672 VanDerWaalsContact O-CB 3.28Å; L667-I672 WeakPolarHBondContact O-CB 3.37Å; L667-I672 WeakPolarHBondContact O-CG1 3.36Å; L667-I672 PolarHBondContact O-N 2.86Å; I672-P674 WeakPolarHBondContact O-CD 3.44Å
673	R	94.5	Very high	95.6	Very high	226 Å²	226	40.2 Å²	40.2	85%	0.853	20%	0.199	S	C	*	.			trans	-63.9	118.2	-178.8	-62.3	-177.5	-176.9	179.4	0.5	110.8	G671	G671-R673 PolarHBondContact O-N 3.01Å
674	P	96.3	Very high	95.6	Very high	32 Å²	32	40.8 Å²	40.8	21%	0.208	20%	0.202	C	C	.	.			trans	-75.8	148.5	179.6	31.8	-34.2	0	0	0	111.4	L468 Q470 F664 V668 I672 R676	L468-P674 HydrophobicContact CB-CB 3.82Å; L468-P674 WeakPolarHBondContact O-CA 3.31Å; Q470-P674 HydrophobicContact CB-CB 3.99Å; Q470-P674 HydrophobicContact CB-CG 4.15Å; F664-P674 HydrophobicContact CE1-CB 4.48Å; F664-P674 HydrophobicContact CZ-CB 4.04Å; V668-P674 HydrophobicContact CG2-CG 4.14Å; I672-P674 WeakPolarHBondContact O-CD 3.44Å; P674-R676 PolarHBondContact O-N 3.25Å
675	I	97.3	Very high	95.6	Very high	13 Å²	13	42.3 Å²	42.3	7%	0.067	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	107	173.6	-53.9	169.5	0	0	0	107.7	Y456 A457 T460 V461 L468 I469 Q470	Y456-I675 HydrophobicContact CD1-CG2 3.84Å; Y456-I675 HydrophobicContact CE1-CG2 3.94Å; A457-I675 HydrophobicContact CB-CG2 3.8Å; T460-I675 HydrophobicContact CG2-CD1 3.77Å; V461-I675 HydrophobicContact CG2-CD1 3.94Å; L468-I675 PolarHBondContact O-N 2.82Å; I469-I675 WeakPolarHBondContact CA-O 3.49Å; Q470-I675 PolarHBondContact N-O 3.49Å
676	R	95.6	Very high	95.7	Very high	73 Å²	73	41.7 Å²	41.7	28%	0.275	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122.3	-179	-165.8	-176	-72.2	171.5	-0	111.1	Q470 P472 P674 E697 S699	Q470-R676 CarbonylContact O-C 3.47Å; Q470-R676 WeakPolarHBondContact O-CA 3.2Å; Q470-R676 VanDerWaalsContact OE1-NE 3.1Å; P472-R676 HydrophobicContact CG-CG 4.48Å; P674-R676 PolarHBondContact O-N 3.25Å; R676-E697 IonicContact CZ-OE2 3.88Å; R676-E697 IonicContact NH1-OE2 3.14Å; R676-E697 PolarHBondContact NH1-OE2 3.15Å; R676-E697 IonicContact NH2-OE2 2.7Å; R676-E697 PolarHBondContact NH2-OE2 3.35Å; R676-S699 PolarHBondContact NH1-OG 2.85Å
677	L	96.7	Very high	95.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.214	C	C	.	.			trans	-75.2	130.2	167.8	-57.5	-178.1	0	0	0	109.3	Q454 A457 I469 Q470 P472 T475 K477 T480	Q454-L677 HydrophobicContact CG-CD2 4Å; A457-L677 HydrophobicContact CB-CD2 3.95Å; I469-L677 HydrophobicContact CG2-CD1 4.27Å; I469-L677 HydrophobicContact CG2-CD2 4.33Å; I469-L677 HydrophobicContact CG2-CG 4.03Å; Q470-L677 PolarHBondContact O-N 2.85Å; P472-L677 WeakPolarHBondContact CD-O 3.45Å; T475-L677 HydrophobicContact CG2-CB 4.43Å; K477-L677 HydrophobicContact CG-CD1 4.34Å; T480-L677 HydrophobicContact CG2-CD2 4.46Å
678	Q	93.3	Very high	95.8	Very high	75 Å²	75	42.1 Å²	42.1	35%	0.35	21%	0.214	S	C	.	.			trans	-105.1	-19.8	-162.8	-64.3	-173	-3.3	0	0	115.8	S453 Q701	S453-Q678 PolarHBondContact OG-N 2.95Å; Q678-Q701 PolarHBondContact O-N 3.26Å
679	V	96.8	Very high	95.8	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.3	-169.9	-172.4	0	0	0	0	110.5	T475 Y681 Q701	T475-V679 WeakPolarHBondContact CA-O 3.47Å; V679-Y681 HydrophobicContact CB-CE2 4.21Å; V679-Y681 HydrophobicContact CG1-CE1 4.19Å; V679-Y681 HydrophobicContact CG1-CE2 4.06Å; V679-Y681 WeakPolarHBondContact O-CE2 3.22Å; V679-Q701 WeakPolarHBondContact CA-O 3.06Å; V679-Q701 HydrophobicContact CG2-CB 4.26Å
680	Q	95.6	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	140.6	178.7	79.8	82	18.6	0	0	112.5	T475 M683 L700 Q701 N702 G703	T475-Q680 HydrophobicContact CG2-CB 4.27Å; Q680-M683 HydrophobicContact CG-CE 4.37Å; Q680-M683 PolarHBondContact NE2-O 3.3Å; Q680-L700 HydrophobicContact CB-CD1 4.01Å; Q680-L700 HydrophobicContact CB-CD2 4.22Å; Q680-L700 HydrophobicContact CB-CG 4.12Å; Q680-L700 HydrophobicContact CG-CD2 4.24Å; Q680-L700 HydrophobicContact CG-CG 4.19Å; Q680-Q701 PolarHBondContact N-O 2.88Å; Q680-N702 PolarHBondContact NE2-OD1 3.35Å; Q680-G703 WeakPolarHBondContact O-CA 3.38Å; Q680-G703 PolarHBondContact O-N 3.33Å
681	Y	95.5	Very high	96	Very high	89 Å²	89	35.7 Å²	35.7	35%	0.349	18%	0.179	S	C	.	.			trans	-120.8	7.4	-177.9	-59.9	-84.9	0	0	0	114.1	N451 G474 V679 G703 V704 R709	N451-Y681 WeakPolarHBondContact CB-OH 3.44Å; N451-Y681 WeakPolarHBondContact ND2-CE2 3.33Å; N451-Y681 PolarHBondContact ND2-OH 3.36Å; G474-Y681 PolarHBondContact O-N 2.85Å; V679-Y681 HydrophobicContact CB-CE2 4.21Å; V679-Y681 HydrophobicContact CG1-CE1 4.19Å; V679-Y681 HydrophobicContact CG1-CE2 4.06Å; V679-Y681 WeakPolarHBondContact O-CE2 3.22Å; Y681-G703 WeakPolarHBondContact CD1-O 3.22Å; Y681-V704 HydrophobicContact CD1-CG1 4.31Å; Y681-R709 PolarHBondContact O-NH2 2.89Å
682	R	94.8	Very high	96	Very high	23 Å²	23	33.5 Å²	33.5	9%	0.087	16%	0.156	C	C	.	.	S	Bend	trans	-88.8	-56.5	-175.7	174.7	-179	-70.8	-174.7	-10.7	112	R709 R811 E812 T843 R846	R682-R709 PolarHBondContact O-NE 2.88Å; R682-R811 PolarHBondContact NH1-O 3.35Å; R682-R811 PolarHBondContact NH2-O 2.99Å; R682-E812 IonicContact CZ-OE2 3.2Å; R682-E812 IonicContact NE-OE2 2.7Å; R682-E812 PolarHBondContact NE-OE2 3.31Å; R682-E812 IonicContact NH2-OE2 3.94Å; R682-E812 PolarHBondContact NH2-OE2 2.81Å; R682-T843 VanDerWaalsContact CD-O 3.3Å; R682-T843 WeakPolarHBondContact CD-O 3.28Å; R682-T843 PolarHBondContact NH1-O 2.77Å; R682-R846 HydrophobicContact CG-CG 3.94Å; R682-R846 WeakPolarHBondContact O-CA 3.25Å; R682-R846 WeakPolarHBondContact O-CB 3.49Å
683	M	96.8	Very high	96	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-101.5	149.2	-156.2	-52.7	179.3	-86.2	0	0	112.5	P473 Q680 L687 V704 T843 A845 R846	P473-M683 HydrophobicContact CB-CE 4.3Å; Q680-M683 HydrophobicContact CG-CE 4.37Å; Q680-M683 PolarHBondContact NE2-O 3.3Å; M683-L687 HydrophobicContact CB-CB 4.18Å; M683-V704 WeakPolarHBondContact O-CG2 3.4Å; M683-T843 HydrophobicContact CE-CG2 4.08Å; M683-T843 HydrophobicContact SD-CG2 3.83Å; M683-A845 WeakPolarHBondContact CG-O 3.15Å; M683-R846 CarbonylContact C-O 3.54Å
684	H	97.9	Very high	96	Very high	11 Å²	11	29.1 Å²	29.1	5%	0.051	15%	0.149	C	C	.	.			trans	-55.6	139	162.8	-175.7	-90.8	0	0	0	110.6	A686 L687 S688 A706 R709 D722 P724 R846	H684-A686 VanDerWaalsContact C-N 3.25Å; H684-A686 WeakPolarHBondContact ND1-CB 3.27Å; H684-A686 PolarHBondContact ND1-N 3.24Å; H684-A686 PolarHBondContact O-N 3.15Å; H684-A686 VanDerWaalsContact O-N 3.09Å; H684-L687 HydrophobicContact CB-CD1 3.94Å; H684-L687 HydrophobicContact CB-CG 4.07Å; H684-L687 WeakPolarHBondContact O-CB 3.21Å; H684-L687 PolarHBondContact O-N 3.18Å; H684-S688 PolarHBondContact O-N 3.28Å; H684-A706 WeakPolarHBondContact NE2-CA 3.45Å; H684-A706 WeakPolarHBondContact NE2-CB 3.38Å; H684-R709 HydrophobicContact CB-CB 3.72Å; H684-R709 HydrophobicContact CB-CG 4.38Å; H684-D722 PolarHBondContact CE1-O 3.38Å; H684-D722 VanDerWaalsContact CE1-O 3.28Å; H684-P724 HydrophobicContact CB-CG 4.05Å; H684-P724 WeakPolarHBondContact ND1-CD 3.43Å; H684-R846 PolarHBondContact N-O 3.21Å
685	P	97.6	Very high	95.7	Very high	33 Å²	33	29 Å²	29	21%	0.214	15%	0.145	C	C	.	.	H	α-helix	trans	-53	-33.6	-175.1	-32	37.7	0	0	0	116.1	L687 S688 A689 N702	P685-L687 VanDerWaalsContact C-N 3.25Å; P685-L687 PolarHBondContact O-N 3.17Å; P685-S688 PolarHBondContact O-N 2.9Å; P685-S688 PolarHBondContact O-OG 3.45Å; P685-S688 VanDerWaalsContact O-OG 3.06Å; P685-A689 PolarHBondContact O-N 3.33Å; P685-N702 HydrophobicContact CG-CB 4.37Å
686	A	97.4	Very high	95.5	Very high	17 Å²	17	28.4 Å²	28.4	14%	0.14	14%	0.142	C	C	.	.	H	α-helix	trans	-63.8	-28.9	175.7	0	0	0	0	0	113.5	H684 K723 M725	H684-A686 VanDerWaalsContact C-N 3.25Å; H684-A686 WeakPolarHBondContact ND1-CB 3.27Å; H684-A686 PolarHBondContact ND1-N 3.24Å; H684-A686 PolarHBondContact O-N 3.15Å; H684-A686 VanDerWaalsContact O-N 3.09Å; A686-K723 HydrophobicContact CB-CB 4.45Å; A686-K723 HydrophobicContact CB-CG 4.24Å; A686-M725 HydrophobicContact CB-CE 4.28Å
687	L	97.5	Very high	95.3	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-80.9	-34.9	-179.3	-53.3	175.9	0	0	0	112	M683 H684 P685 P691 M725 A845 V849	M683-L687 HydrophobicContact CB-CB 4.18Å; H684-L687 HydrophobicContact CB-CD1 3.94Å; H684-L687 HydrophobicContact CB-CG 4.07Å; H684-L687 WeakPolarHBondContact O-CB 3.21Å; H684-L687 PolarHBondContact O-N 3.18Å; P685-L687 VanDerWaalsContact C-N 3.25Å; P685-L687 PolarHBondContact O-N 3.17Å; L687-P691 WeakPolarHBondContact O-CD 3.47Å; L687-M725 HydrophobicContact CD2-CB 3.7Å; L687-M725 HydrophobicContact CD2-CG 4.22Å; L687-M725 HydrophobicContact CD2-SD 4.07Å; L687-A845 HydrophobicContact CD1-CB 4.41Å; L687-V849 HydrophobicContact CD1-CG2 4.28Å; L687-V849 HydrophobicContact CD2-CB 4.1Å; L687-V849 HydrophobicContact CD2-CG2 3.91Å
688	S	96.6	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-78.2	-21.6	-178.6	60.2	0	0	0	0	113.3	H684 P685 P691 S692 N702	H684-S688 PolarHBondContact O-N 3.28Å; P685-S688 PolarHBondContact O-N 2.9Å; P685-S688 PolarHBondContact O-OG 3.45Å; P685-S688 VanDerWaalsContact O-OG 3.06Å; S688-P691 WeakPolarHBondContact O-CD 3.25Å; S688-S692 WeakPolarHBondContact O-CB 3.43Å; S688-S692 PolarHBondContact O-N 2.71Å; S688-N702 PolarHBondContact OG-ND2 3.29Å; S688-N702 PolarHBondContact OG-OD1 2.7Å
689	A	96.3	Very high	94.8	Very high	28 Å²	28	32.3 Å²	32.3	23%	0.231	18%	0.178	C	C	.	.	H	α-helix	trans	-58.3	-52.6	-175.1	0	0	0	0	0	113.8	P685 S692 N693	P685-A689 PolarHBondContact O-N 3.33Å; A689-S692 PolarHBondContact O-N 2.85Å; A689-N693 WeakPolarHBondContact O-CB 3.36Å; A689-N693 PolarHBondContact O-N 3.28Å; A689-N693 PolarHBondContact O-OD1 3.02Å
690	F	96.1	Very high	94.7	Very high	11 Å²	11	32.2 Å²	32.2	5%	0.048	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-49.3	179.2	178.2	-83.9	0	0	0	112.5	S692 N693 I694 L842 L863 H866 L867 Y870	F690-S692 VanDerWaalsContact C-N 3.33Å; F690-S692 PolarHBondContact O-N 3.12Å; F690-N693 PolarHBondContact O-N 3.26Å; F690-I694 HydrophobicContact CD1-CG1 4.29Å; F690-I694 HydrophobicContact CD2-CG1 3.99Å; F690-I694 HydrophobicContact CE1-CB 4.41Å; F690-I694 HydrophobicContact CE1-CG1 4.04Å; F690-I694 HydrophobicContact CE2-CD1 4.3Å; F690-I694 HydrophobicContact CE2-CG1 3.74Å; F690-I694 HydrophobicContact CG-CG1 4.27Å; F690-I694 HydrophobicContact CZ-CG1 3.77Å; F690-I694 WeakPolarHBondContact O-CB 3.29Å; F690-I694 WeakPolarHBondContact O-CG1 3.41Å; F690-I694 PolarHBondContact O-N 3.4Å; F690-L842 HydrophobicContact CD1-CD1 3.84Å; F690-L842 HydrophobicContact CE1-CD1 4.01Å; F690-L863 HydrophobicContact CE1-CD1 4.39Å; F690-L863 HydrophobicContact CZ-CD1 4.13Å; F690-H866 HydrophobicContact CE2-CB 4.32Å; F690-L867 HydrophobicContact CD1-CD1 3.7Å; F690-L867 HydrophobicContact CD2-CD1 4.14Å; F690-L867 HydrophobicContact CE1-CB 4.3Å; F690-L867 HydrophobicContact CE1-CD1 3.59Å; F690-L867 VanDerWaalsContact CE2-CA 3.49Å; F690-L867 HydrophobicContact CE2-CB 4.08Å; F690-L867 HydrophobicContact CE2-CD1 4.03Å; F690-L867 HydrophobicContact CG-CD1 3.98Å; F690-L867 HydrophobicContact CZ-CB 3.72Å; F690-L867 HydrophobicContact CZ-CD1 3.76Å; F690-L867 HydrophobicContact CZ-CG 4.36Å; F690-Y870 HydrophobicContact CB-CD1 3.83Å; F690-Y870 HydrophobicContact CB-CE1 3.72Å; F690-Y870 HydrophobicContact CB-CG 4.44Å; F690-Y870 AromaticContact CD2-CD1 3.83Å; F690-Y870 HydrophobicContact CD2-CD1 3.83Å; F690-Y870 AromaticContact CD2-CG 3.83Å; F690-Y870 HydrophobicContact CD2-CG 3.83Å; F690-Y870 HydrophobicContact CG-CD1 4.18Å
691	P	95.1	Very high	94.6	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-58.7	-39.6	174.6	-26.4	35.8	0	0	0	113.8	L687 S688 F695 Y696 L842 T843	L687-P691 WeakPolarHBondContact O-CD 3.47Å; S688-P691 WeakPolarHBondContact O-CD 3.25Å; P691-F695 HydrophobicContact CB-CD2 4.06Å; P691-F695 HydrophobicContact CB-CE2 4.45Å; P691-F695 WeakPolarHBondContact O-CB 3.45Å; P691-F695 WeakPolarHBondContact O-CD2 3.45Å; P691-F695 PolarHBondContact O-N 2.96Å; P691-Y696 WeakPolarHBondContact O-CD2 3.31Å; P691-L842 HydrophobicContact CG-CB 4.15Å; P691-L842 HydrophobicContact CG-CD1 4.44Å; P691-T843 HydrophobicContact CB-CG2 3.77Å; P691-T843 HydrophobicContact CG-CG2 3.74Å
692	S	94.6	Very high	94.7	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.035	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-55	175.5	-176	0	0	0	0	111.3	S688 A689 F690 I694 Y696 E697 G698 L700	S688-S692 WeakPolarHBondContact O-CB 3.43Å; S688-S692 PolarHBondContact O-N 2.71Å; A689-S692 PolarHBondContact O-N 2.85Å; F690-S692 VanDerWaalsContact C-N 3.33Å; F690-S692 PolarHBondContact O-N 3.12Å; S692-I694 VanDerWaalsContact C-N 3.34Å; S692-I694 PolarHBondContact O-N 2.94Å; S692-Y696 CarbonylContact O-C 3.53Å; S692-Y696 WeakPolarHBondContact O-CA 3.2Å; S692-Y696 PolarHBondContact O-N 3.08Å; S692-E697 PolarHBondContact O-N 2.93Å; S692-E697 VanDerWaalsContact O-N 3.17Å; S692-G698 PolarHBondContact O-N 3.04Å; S692-G698 VanDerWaalsContact OG-C 3.3Å; S692-G698 WeakPolarHBondContact OG-CA 3.41Å; S692-G698 PolarHBondContact OG-O 3.46Å; S692-L700 WeakPolarHBondContact OG-CB 2.89Å; S692-L700 PolarHBondContact OG-N 2.7Å; S692-L700 PolarHBondContact OG-O 2.58Å
693	N	94.2	Very high	94.7	Very high	102 Å²	102	36.1 Å²	36.1	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-66.7	-35.4	-173.9	-66.5	-3.8	0	0	0	112.6	A689 F690	A689-N693 WeakPolarHBondContact O-CB 3.36Å; A689-N693 PolarHBondContact O-N 3.28Å; A689-N693 PolarHBondContact O-OD1 3.02Å; F690-N693 PolarHBondContact O-N 3.26Å
694	I	93.3	Very high	94.6	Very high	73 Å²	73	36.9 Å²	36.9	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-92.9	-36.5	-172	-60.6	-64.8	0	0	0	113.5	F690 S692 L863	F690-I694 HydrophobicContact CD1-CG1 4.29Å; F690-I694 HydrophobicContact CD2-CG1 3.99Å; F690-I694 HydrophobicContact CE1-CB 4.41Å; F690-I694 HydrophobicContact CE1-CG1 4.04Å; F690-I694 HydrophobicContact CE2-CD1 4.3Å; F690-I694 HydrophobicContact CE2-CG1 3.74Å; F690-I694 HydrophobicContact CG-CG1 4.27Å; F690-I694 HydrophobicContact CZ-CG1 3.77Å; F690-I694 WeakPolarHBondContact O-CB 3.29Å; F690-I694 WeakPolarHBondContact O-CG1 3.41Å; F690-I694 PolarHBondContact O-N 3.4Å; S692-I694 VanDerWaalsContact C-N 3.34Å; S692-I694 PolarHBondContact O-N 2.94Å; I694-L863 HydrophobicContact CG2-CD1 3.48Å; I694-L863 VanDerWaalsContact CG2-CD1 3.48Å
695	F	91.1	Very high	94.6	Very high	30 Å²	30	39.9 Å²	39.9	13%	0.132	24%	0.235	C	C	.	.	H	α-helix	trans	-108.5	-15.8	-176	-51.7	-64.2	0	0	0	114.1	C643 P691 P835 N839 L863	C643-F695 HydrophobicContact CB-CB 4.38Å; C643-F695 PolarHBondContact SG-O 2.75Å; C643-F695 VanDerWaalsContact SG-O 3.38Å; P691-F695 HydrophobicContact CB-CD2 4.06Å; P691-F695 HydrophobicContact CB-CE2 4.45Å; P691-F695 WeakPolarHBondContact O-CB 3.45Å; P691-F695 WeakPolarHBondContact O-CD2 3.45Å; P691-F695 PolarHBondContact O-N 2.96Å; F695-P835 HydrophobicContact CE1-CB 4.01Å; F695-N839 HydrophobicContact CD1-CB 4.26Å; F695-N839 HydrophobicContact CD2-CB 3.59Å; F695-N839 WeakPolarHBondContact CD2-OD1 3.29Å; F695-N839 HydrophobicContact CE1-CB 4.16Å; F695-N839 HydrophobicContact CE2-CB 3.49Å; F695-N839 VanDerWaalsContact CE2-CB 3.49Å; F695-N839 HydrophobicContact CG-CB 4Å; F695-N839 HydrophobicContact CZ-CB 3.78Å; F695-L863 HydrophobicContact CE1-CD1 4.15Å; F695-L863 HydrophobicContact CE1-CD2 4.07Å; F695-L863 HydrophobicContact CZ-CD1 4.05Å; F695-L863 HydrophobicContact CZ-CD2 4.1Å
696	Y	91.8	Very high	94.4	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	24%	0.242	C	C	.	.	S	Bend	trans	-133.7	23.6	-173.6	-52.3	-73.1	0	0	0	113.3	P472 P473 D641 C643 P691 S692 G698 S699 L700 N839	P472-Y696 HydrophobicContact CB-CD1 3.97Å; P472-Y696 HydrophobicContact CB-CD2 4.34Å; P472-Y696 HydrophobicContact CB-CE1 3.69Å; P472-Y696 HydrophobicContact CB-CE2 4.11Å; P472-Y696 HydrophobicContact CB-CG 4.28Å; P472-Y696 HydrophobicContact CG-CD1 3.65Å; P472-Y696 HydrophobicContact CG-CE1 3.67Å; P472-Y696 HydrophobicContact CG-CG 4.22Å; P473-Y696 WeakPolarHBondContact CD-OH 3.14Å; D641-Y696 PolarHBondContact OD2-OH 2.92Å; C643-Y696 HydrophobicContact CB-CD1 4.43Å; C643-Y696 HydrophobicContact CB-CE1 3.52Å; C643-Y696 WeakPolarHBondContact CB-OH 3.25Å; P691-Y696 WeakPolarHBondContact O-CD2 3.31Å; S692-Y696 CarbonylContact O-C 3.53Å; S692-Y696 WeakPolarHBondContact O-CA 3.2Å; S692-Y696 PolarHBondContact O-N 3.08Å; Y696-G698 PolarHBondContact O-N 3.39Å; Y696-G698 VanDerWaalsContact O-N 3.08Å; Y696-S699 WeakPolarHBondContact O-CB 3.43Å; Y696-S699 PolarHBondContact O-N 2.74Å; Y696-S699 PolarHBondContact O-OG 3.25Å; Y696-L700 HydrophobicContact CD2-CD2 4.47Å; Y696-N839 PolarHBondContact OH-ND2 3.12Å
697	E	91.3	Very high	94.3	Very high	154 Å²	154	43.1 Å²	43.1	72%	0.72	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	23.2	171.5	-52.7	151.6	132.5	0	0	113.7	R676 S692 S699	R676-E697 IonicContact CZ-OE2 3.88Å; R676-E697 IonicContact NH1-OE2 3.14Å; R676-E697 PolarHBondContact NH1-OE2 3.15Å; R676-E697 IonicContact NH2-OE2 2.7Å; R676-E697 PolarHBondContact NH2-OE2 3.35Å; S692-E697 PolarHBondContact O-N 2.93Å; S692-E697 VanDerWaalsContact O-N 3.17Å; E697-S699 PolarHBondContact O-N 2.87Å
698	G	90.3	Very high	94.1	Very high	38 Å²	38	46.7 Å²	46.7	39%	0.392	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	0.6	-172.7	0	0	0	0	0	114.6	S692 Y696 L700	S692-G698 PolarHBondContact O-N 3.04Å; S692-G698 VanDerWaalsContact OG-C 3.3Å; S692-G698 WeakPolarHBondContact OG-CA 3.41Å; S692-G698 PolarHBondContact OG-O 3.46Å; Y696-G698 PolarHBondContact O-N 3.39Å; Y696-G698 VanDerWaalsContact O-N 3.08Å; G698-L700 VanDerWaalsContact C-N 3.28Å; G698-L700 PolarHBondContact O-N 3.29Å
699	S	91.1	Very high	94.1	Very high	39 Å²	39	48.3 Å²	48.3	27%	0.273	29%	0.289	S	S	.	.			trans	-76	-5.7	-172.6	69	0	0	0	0	115.4	R676 Y696 E697 Q701	R676-S699 PolarHBondContact NH1-OG 2.85Å; Y696-S699 WeakPolarHBondContact O-CB 3.43Å; Y696-S699 PolarHBondContact O-N 2.74Å; Y696-S699 PolarHBondContact O-OG 3.25Å; E697-S699 PolarHBondContact O-N 2.87Å; S699-Q701 PolarHBondContact O-N 2.94Å
700	L	92.7	Very high	93.9	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.052	31%	0.306	C	S	.	.			trans	-84.5	109.2	-179.2	-169.6	65	0	0	0	111.3	P472 T475 Q680 S692 Y696 G698	P472-L700 HydrophobicContact CB-CD1 3.74Å; P472-L700 HydrophobicContact CB-CD2 4.25Å; P472-L700 HydrophobicContact CG-CD1 4.13Å; T475-L700 HydrophobicContact CG2-CD1 3.48Å; T475-L700 VanDerWaalsContact CG2-CD1 3.48Å; Q680-L700 HydrophobicContact CB-CD1 4.01Å; Q680-L700 HydrophobicContact CB-CD2 4.22Å; Q680-L700 HydrophobicContact CB-CG 4.12Å; Q680-L700 HydrophobicContact CG-CD2 4.24Å; Q680-L700 HydrophobicContact CG-CG 4.19Å; S692-L700 WeakPolarHBondContact OG-CB 2.89Å; S692-L700 PolarHBondContact OG-N 2.7Å; S692-L700 PolarHBondContact OG-O 2.58Å; Y696-L700 HydrophobicContact CD2-CD2 4.47Å; G698-L700 VanDerWaalsContact C-N 3.28Å; G698-L700 PolarHBondContact O-N 3.29Å
701	Q	95.2	Very high	93.6	Very high	90 Å²	90	53.9 Å²	53.9	42%	0.421	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	152.7	179.3	-59.3	169.3	28.8	0	0	111.3	Q678 V679 Q680 S699	Q678-Q701 PolarHBondContact O-N 3.26Å; V679-Q701 WeakPolarHBondContact CA-O 3.06Å; V679-Q701 HydrophobicContact CG2-CB 4.26Å; Q680-Q701 PolarHBondContact N-O 2.88Å; S699-Q701 PolarHBondContact O-N 2.94Å
702	N	96.4	Very high	93.3	Very high	70 Å²	70	63.4 Å²	63.4	37%	0.374	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.3	177.5	-67.3	-53	0	0	0	111	Q680 P685 S688 V704	Q680-N702 PolarHBondContact NE2-OD1 3.35Å; P685-N702 HydrophobicContact CG-CB 4.37Å; S688-N702 PolarHBondContact OG-ND2 3.29Å; S688-N702 PolarHBondContact OG-OD1 2.7Å; N702-V704 VanDerWaalsContact C-N 3.29Å
703	G	95	Very high	93	Very high	33 Å²	33	66.9 Å²	66.9	34%	0.34	39%	0.391	S	S	.	.	S	Bend	trans	-89.4	9.3	173.3	0	0	0	0	0	114	Q680 Y681	Q680-G703 WeakPolarHBondContact O-CA 3.38Å; Q680-G703 PolarHBondContact O-N 3.33Å; Y681-G703 WeakPolarHBondContact CD1-O 3.22Å
704	V	95.9	Very high	92.9	Very high	17 Å²	17	63.7 Å²	63.7	10%	0.103	37%	0.372	C	S	.	.	S	Bend	trans	-139	140.9	176.5	-69.8	0	0	0	0	108.9	Y681 M683 N702 D708 R709	Y681-V704 HydrophobicContact CD1-CG1 4.31Å; M683-V704 WeakPolarHBondContact O-CG2 3.4Å; N702-V704 VanDerWaalsContact C-N 3.29Å; V704-D708 HydrophobicContact CB-CB 4.2Å; V704-R709 HydrophobicContact CG2-CG 4.28Å
705	T	96.4	Very high	92.9	Very high	75 Å²	75	66.2 Å²	66.2	46%	0.46	39%	0.386	S	S	.	.			trans	-84.7	175.3	-179.2	69.4	0	0	0	0	111.9	A707 D708	T705-A707 VanDerWaalsContact C-N 3.33Å; T705-A707 PolarHBondContact OG1-N 3.25Å; T705-D708 VanDerWaalsContact CB-OD2 3.3Å; T705-D708 WeakPolarHBondContact CB-OD2 3.34Å; T705-D708 WeakPolarHBondContact CG2-OD2 3.27Å; T705-D708 PolarHBondContact N-OD2 2.87Å; T705-D708 VanDerWaalsContact OG1-CG 3.26Å; T705-D708 PolarHBondContact OG1-N 3.02Å; T705-D708 VanDerWaalsContact OG1-N 3.14Å; T705-D708 PolarHBondContact OG1-OD2 3.22Å
706	A	95	Very high	93	Very high	46 Å²	46	65.7 Å²	65.7	38%	0.38	38%	0.384	S	S	.	.	S	Bend	trans	-59.2	-44.4	167	0	0	0	0	0	111.5	H684 D708 R709 I710	H684-A706 WeakPolarHBondContact NE2-CA 3.45Å; H684-A706 WeakPolarHBondContact NE2-CB 3.38Å; A706-D708 VanDerWaalsContact C-N 3.35Å; A706-D708 PolarHBondContact O-N 3.25Å; A706-R709 CarbonylContact O-C 3.57Å; A706-R709 VanDerWaalsContact O-C 3.25Å; A706-R709 WeakPolarHBondContact O-CA 3.42Å; A706-R709 PolarHBondContact O-N 2.96Å; A706-I710 PolarHBondContact O-N 3.03Å; A706-I710 VanDerWaalsContact O-N 3.16Å
707	A	94.1	Very high	93	Very high	72 Å²	72	72 Å²	72	60%	0.595	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-62.3	-38.1	-179.5	0	0	0	0	0	112.9	T705 R709 I710	T705-A707 VanDerWaalsContact C-N 3.33Å; T705-A707 PolarHBondContact OG1-N 3.25Å; A707-R709 PolarHBondContact O-N 2.98Å; A707-R709 VanDerWaalsContact O-N 3.13Å; A707-I710 PolarHBondContact O-N 3.38Å
708	D	94.4	Very high	93.2	Very high	83 Å²	83	66.1 Å²	66.1	44%	0.444	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-64.1	-14.6	173.7	-61	-58.7	0	0	0	113.2	V704 T705 A706	V704-D708 HydrophobicContact CB-CB 4.2Å; T705-D708 VanDerWaalsContact CB-OD2 3.3Å; T705-D708 WeakPolarHBondContact CB-OD2 3.34Å; T705-D708 WeakPolarHBondContact CG2-OD2 3.27Å; T705-D708 PolarHBondContact N-OD2 2.87Å; T705-D708 VanDerWaalsContact OG1-CG 3.26Å; T705-D708 PolarHBondContact OG1-N 3.02Å; T705-D708 VanDerWaalsContact OG1-N 3.14Å; T705-D708 PolarHBondContact OG1-OD2 3.22Å; A706-D708 VanDerWaalsContact C-N 3.35Å; A706-D708 PolarHBondContact O-N 3.25Å
709	R	95.8	Very high	93.4	Very high	34 Å²	34	66 Å²	66	13%	0.128	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-125.2	26.1	-176.8	-65.1	-65.3	178.1	-85.5	2.5	112.8	Y681 R682 H684 V704 A706 A707 R846 Y847	Y681-R709 PolarHBondContact O-NH2 2.89Å; R682-R709 PolarHBondContact O-NE 2.88Å; H684-R709 HydrophobicContact CB-CB 3.72Å; H684-R709 HydrophobicContact CB-CG 4.38Å; V704-R709 HydrophobicContact CG2-CG 4.28Å; A706-R709 CarbonylContact O-C 3.57Å; A706-R709 VanDerWaalsContact O-C 3.25Å; A706-R709 WeakPolarHBondContact O-CA 3.42Å; A706-R709 PolarHBondContact O-N 2.96Å; A707-R709 PolarHBondContact O-N 2.98Å; A707-R709 VanDerWaalsContact O-N 3.13Å; R709-R846 WeakPolarHBondContact CD-O 3.22Å; R709-Y847 VanDerWaalsContact O-CD1 3.25Å; R709-Y847 WeakPolarHBondContact O-CD1 3.41Å
710	I	92.5	Very high	93.6	Very high	116 Å²	116	66.3 Å²	66.3	60%	0.595	37%	0.374	S	S	*	.	S	Bend	trans	-94.3	127.7	157.1	-66.3	168.9	0	0	0	108.1	A706 A707	A706-I710 PolarHBondContact O-N 3.03Å; A706-I710 VanDerWaalsContact O-N 3.16Å; A707-I710 PolarHBondContact O-N 3.38Å
711	K	89.4	Confident	93.6	Very high	41 Å²	41	71.3 Å²	71.3	18%	0.178	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-79.1	123.5	-179.7	-175.2	77.4	169.1	-170.5	0	109.5	F714 D814 F815 Y847	K711-F714 HydrophobicContact CB-CB 3.69Å; K711-F714 HydrophobicContact CB-CD1 3.99Å; K711-F714 HydrophobicContact CB-CG 4Å; K711-F714 HydrophobicContact CG-CB 3.56Å; K711-F714 HydrophobicContact CG-CD1 4.42Å; K711-F714 HydrophobicContact CG-CG 3.96Å; K711-D814 IonicContact NZ-OD2 3.48Å; K711-D814 PolarHBondContact NZ-OD2 2.82Å; K711-F815 HydrophobicContact CB-CZ 4.4Å; K711-F815 HydrophobicContact CG-CZ 4.4Å; K711-Y847 HydrophobicContact CB-CD1 3.82Å; K711-Y847 HydrophobicContact CB-CE1 4.07Å; K711-Y847 HydrophobicContact CB-CG 4.44Å; K711-Y847 HydrophobicContact CD-CD1 4.41Å; K711-Y847 HydrophobicContact CD-CE1 4.21Å; K711-Y847 HydrophobicContact CD-CE2 4.37Å
712	K	88.1	Confident	93.6	Very high	202 Å²	202	71.7 Å²	71.7	88%	0.878	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	134.8	176.5	-64.4	-175.4	180	-177.3	0	110.5
713	G	88.3	Confident	93.6	Very high	79 Å²	79	69.9 Å²	69.9	81%	0.814	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	32.6	178.2	0	0	0	0	0	114.1
714	F	93.1	Very high	93.7	Very high	35 Å²	35	68.9 Å²	68.9	15%	0.154	39%	0.388	C	S	.	.			trans	-123.4	103.2	-176.2	178.2	-111.2	0	0	0	111	K711 F716 W718 L759 A762 A764 F815	K711-F714 HydrophobicContact CB-CB 3.69Å; K711-F714 HydrophobicContact CB-CD1 3.99Å; K711-F714 HydrophobicContact CB-CG 4Å; K711-F714 HydrophobicContact CG-CB 3.56Å; K711-F714 HydrophobicContact CG-CD1 4.42Å; K711-F714 HydrophobicContact CG-CG 3.96Å; F714-F716 HydrophobicContact CD1-CB 4.06Å; F714-F716 HydrophobicContact CE1-CB 3.39Å; F714-F716 HydrophobicContact CE1-CG 4.22Å; F714-F716 HydrophobicContact CE2-CB 4.05Å; F714-F716 HydrophobicContact CZ-CB 3.38Å; F714-F716 HydrophobicContact CZ-CD2 4.33Å; F714-F716 AromaticContact CZ-CG 3.96Å; F714-F716 HydrophobicContact CZ-CG 3.96Å; F714-F716 PolarHBondContact O-N 3.01Å; F714-W718 HydrophobicContact CE1-CZ2 4.35Å; F714-L759 HydrophobicContact CE2-CD2 4.26Å; F714-L759 HydrophobicContact CZ-CD2 3.76Å; F714-A762 VanDerWaalsContact CA-O 3.3Å; F714-A762 WeakPolarHBondContact CA-O 3.38Å; F714-A762 HydrophobicContact CD2-CB 3.9Å; F714-A762 WeakPolarHBondContact CD2-O 3.31Å; F714-A762 HydrophobicContact CE2-CB 3.66Å; F714-A762 HydrophobicContact CZ-CB 4.38Å; F714-A764 HydrophobicContact CD2-CB 4.45Å; F714-A764 HydrophobicContact CE2-CB 3.99Å; F714-F815 HydrophobicContact CD1-CE1 4.44Å; F714-F815 AromaticContact CD1-CZ 3.95Å; F714-F815 HydrophobicContact CD1-CZ 3.95Å; F714-F815 HydrophobicContact CD2-CE2 4.4Å; F714-F815 HydrophobicContact CD2-CZ 4.13Å; F714-F815 AromaticContact CE1-CE1 3.59Å; F714-F815 HydrophobicContact CE1-CE1 3.59Å; F714-F815 HydrophobicContact CE1-CE2 4.44Å; F714-F815 AromaticContact CE1-CZ 3.43Å; F714-F815 HydrophobicContact CE1-CZ 3.43Å; F714-F815 VanDerWaalsContact CE1-CZ 3.43Å; F714-F815 HydrophobicContact CE2-CE1 4.37Å; F714-F815 AromaticContact CE2-CE2 3.89Å; F714-F815 HydrophobicContact CE2-CE2 3.89Å; F714-F815 AromaticContact CE2-CZ 3.66Å; F714-F815 HydrophobicContact CE2-CZ 3.66Å; F714-F815 HydrophobicContact CG-CZ 4.26Å; F714-F815 HydrophobicContact CZ-CD1 4.36Å; F714-F815 AromaticContact CZ-CE1 3.55Å; F714-F815 HydrophobicContact CZ-CE1 3.55Å; F714-F815 AromaticContact CZ-CE2 3.9Å; F714-F815 HydrophobicContact CZ-CE2 3.9Å; F714-F815 AromaticContact CZ-CZ 3.27Å; F714-F815 HydrophobicContact CZ-CZ 3.27Å
715	D	92.6	Very high	93.7	Very high	126 Å²	126	68.1 Å²	68.1	67%	0.674	38%	0.384	S	S	*	.			trans	-96	82.1	-180	-174.7	14.1	0	0	0	110.8	A762	D715-A762 PolarHBondContact N-O 3.31Å; D715-A762 VanDerWaalsContact N-O 3.17Å; D715-A762 WeakPolarHBondContact O-CB 3.31Å
716	F	93.5	Very high	93.8	Very high	19 Å²	19	64.6 Å²	64.6	8%	0.083	36%	0.362	C	S	.	.			trans	-123.2	116.4	173.5	-171.1	-82.6	0	0	0	110.4	F714 W718 F726 R758 L759 A762 I850	F714-F716 HydrophobicContact CD1-CB 4.06Å; F714-F716 HydrophobicContact CE1-CB 3.39Å; F714-F716 HydrophobicContact CE1-CG 4.22Å; F714-F716 HydrophobicContact CE2-CB 4.05Å; F714-F716 HydrophobicContact CZ-CB 3.38Å; F714-F716 HydrophobicContact CZ-CD2 4.33Å; F714-F716 AromaticContact CZ-CG 3.96Å; F714-F716 HydrophobicContact CZ-CG 3.96Å; F714-F716 PolarHBondContact O-N 3.01Å; F716-W718 AromaticContact CD1-CD2 3.71Å; F716-W718 HydrophobicContact CD1-CD2 3.71Å; F716-W718 AromaticContact CD1-CE2 3.57Å; F716-W718 HydrophobicContact CD1-CE3 4.26Å; F716-W718 HydrophobicContact CD1-CG 4.02Å; F716-W718 HydrophobicContact CD1-CH2 4.48Å; F716-W718 AromaticContact CD1-CZ2 3.98Å; F716-W718 HydrophobicContact CD1-CZ2 3.98Å; F716-W718 AromaticContact CD1-NE1 3.77Å; F716-W718 AromaticContact CE1-CD2 3.85Å; F716-W718 HydrophobicContact CE1-CD2 3.85Å; F716-W718 AromaticContact CE1-CE3 3.92Å; F716-W718 HydrophobicContact CE1-CE3 3.92Å; F716-W718 HydrophobicContact CE1-CG 4.39Å; F716-W718 HydrophobicContact CE1-CH2 4.31Å; F716-W718 HydrophobicContact CE1-CZ2 4.26Å; F716-W718 HydrophobicContact CE1-CZ3 4.15Å; F716-W718 VanDerWaalsContact O-CD1 3.25Å; F716-W718 PolarHBondContact O-N 3.2Å; F716-W718 VanDerWaalsContact O-N 3.16Å; F716-F726 HydrophobicContact CE1-CE1 4.04Å; F716-F726 HydrophobicContact CZ-CE1 4.17Å; F716-F726 HydrophobicContact CZ-CZ 4.43Å; F716-R758 HydrophobicContact CD2-CG 4.17Å; F716-R758 HydrophobicContact CE2-CB 4.2Å; F716-R758 HydrophobicContact CE2-CG 3.86Å; F716-L759 HydrophobicContact CD2-CD2 3.77Å; F716-L759 HydrophobicContact CE2-CD2 3.76Å; F716-L759 HydrophobicContact CE2-CG 4.22Å; F716-L759 HydrophobicContact CG-CD2 4.37Å; F716-L759 HydrophobicContact CZ-CD2 4.36Å; F716-A762 HydrophobicContact CB-CB 3.93Å; F716-A762 HydrophobicContact CD2-CB 4.22Å; F716-I850 HydrophobicContact CZ-CD1 4.08Å
717	Q	92.6	Very high	94	Very high	133 Å²	133	62.4 Å²	62.4	62%	0.621	34%	0.344	S	S	*	.			trans	-76.8	99.7	177.8	-66.3	168.6	-2.9	0	0	110.4
718	W	95.8	Very high	94.2	Very high	31 Å²	31	59.7 Å²	59.7	12%	0.117	32%	0.318	C	S	.	.			trans	-74.8	147.9	169.9	-61.4	96.2	0	0	0	110.8	F714 F716 Q720 P724 F726 F815 I850	F714-W718 HydrophobicContact CE1-CZ2 4.35Å; F716-W718 AromaticContact CD1-CD2 3.71Å; F716-W718 HydrophobicContact CD1-CD2 3.71Å; F716-W718 AromaticContact CD1-CE2 3.57Å; F716-W718 HydrophobicContact CD1-CE3 4.26Å; F716-W718 HydrophobicContact CD1-CG 4.02Å; F716-W718 HydrophobicContact CD1-CH2 4.48Å; F716-W718 AromaticContact CD1-CZ2 3.98Å; F716-W718 HydrophobicContact CD1-CZ2 3.98Å; F716-W718 AromaticContact CD1-NE1 3.77Å; F716-W718 AromaticContact CE1-CD2 3.85Å; F716-W718 HydrophobicContact CE1-CD2 3.85Å; F716-W718 AromaticContact CE1-CE3 3.92Å; F716-W718 HydrophobicContact CE1-CE3 3.92Å; F716-W718 HydrophobicContact CE1-CG 4.39Å; F716-W718 HydrophobicContact CE1-CH2 4.31Å; F716-W718 HydrophobicContact CE1-CZ2 4.26Å; F716-W718 HydrophobicContact CE1-CZ3 4.15Å; F716-W718 VanDerWaalsContact O-CD1 3.25Å; F716-W718 PolarHBondContact O-N 3.2Å; F716-W718 VanDerWaalsContact O-N 3.16Å; W718-Q720 PolarHBondContact O-N 3.47Å; W718-P724 VanDerWaalsContact CD2-CA 3.49Å; W718-P724 HydrophobicContact CD2-CB 4.03Å; W718-P724 VanDerWaalsContact CE3-C 3.45Å; W718-P724 HydrophobicContact CE3-CB 4.42Å; W718-P724 HydrophobicContact CH2-CB 4.26Å; W718-P724 HydrophobicContact CZ2-CB 3.83Å; W718-P724 WeakPolarHBondContact CZ3-O 3.24Å; W718-F726 AromaticContact CE3-CD1 3.75Å; W718-F726 HydrophobicContact CE3-CD1 3.75Å; W718-F726 AromaticContact CE3-CE1 3.93Å; W718-F726 HydrophobicContact CE3-CE1 3.93Å; W718-F726 AromaticContact CZ3-CD1 3.83Å; W718-F726 HydrophobicContact CZ3-CD1 3.83Å; W718-F726 AromaticContact CZ3-CE1 3.86Å; W718-F726 HydrophobicContact CZ3-CE1 3.86Å; W718-F815 HydrophobicContact CZ2-CD1 4.39Å; W718-F815 HydrophobicContact CZ2-CE1 4.19Å; W718-I850 HydrophobicContact CH2-CD1 4.13Å; W718-I850 HydrophobicContact CH2-CG1 4.09Å; W718-I850 HydrophobicContact CZ3-CD1 4.05Å; W718-I850 HydrophobicContact CZ3-CG1 3.78Å
719	P	94.4	Very high	94.3	Very high	34 Å²	34	56.5 Å²	56.5	22%	0.221	30%	0.302	C	S	.	.	S	Bend	trans	-59.8	-27.8	177.5	-25.5	35.4	0	0	0	114.4	F726 V878 L885	P719-F726 HydrophobicContact CG-CB 3.99Å; P719-F726 HydrophobicContact CG-CD1 4.12Å; P719-F726 HydrophobicContact CG-CG 4Å; P719-V878 HydrophobicContact CB-CG1 3.87Å; P719-V878 HydrophobicContact CG-CG1 4.03Å; P719-V878 HydrophobicContact CG-CG2 4.14Å; P719-L885 HydrophobicContact CG-CD1 3.95Å
720	Q	95.1	Very high	94.2	Very high	47 Å²	47	55 Å²	55	22%	0.22	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-127.3	112.4	167.7	-62.1	-60.6	-33.4	0	0	106.9	W718 D722 K723 K875 V876	W718-Q720 PolarHBondContact O-N 3.47Å; Q720-D722 PolarHBondContact O-N 2.96Å; Q720-D722 VanDerWaalsContact O-N 3.11Å; Q720-K723 HydrophobicContact CB-CB 4.16Å; Q720-K723 HydrophobicContact CB-CD 4.26Å; Q720-K723 HydrophobicContact CB-CG 4.49Å; Q720-K723 CarbonylContact O-C 3.45Å; Q720-K723 PolarHBondContact O-N 3.22Å; Q720-K723 VanDerWaalsContact O-O 3.11Å; Q720-K875 HydrophobicContact CG-CB 4.12Å; Q720-K875 VanDerWaalsContact CG-O 3.31Å; Q720-K875 WeakPolarHBondContact CG-O 3.5Å; Q720-K875 VanDerWaalsContact NE2-CB 3.31Å; Q720-K875 PolarHBondContact NE2-O 2.8Å; Q720-V876 HydrophobicContact CB-CG1 3.92Å; Q720-V876 HydrophobicContact CG-CG1 3.6Å
721	P	92.6	Very high	94	Very high	115 Å²	115	54.4 Å²	54.4	75%	0.747	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.8	-171.3	-28.4	36.3	0	0	0	115.6
722	D	94.2	Very high	93.8	Very high	97 Å²	97	52.8 Å²	52.8	52%	0.519	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-12	177	67.8	-45.9	0	0	0	113.7	H684 Q720	H684-D722 PolarHBondContact CE1-O 3.38Å; H684-D722 VanDerWaalsContact CE1-O 3.28Å; Q720-D722 PolarHBondContact O-N 2.96Å; Q720-D722 VanDerWaalsContact O-N 3.11Å
723	K	96.1	Very high	93.5	Very high	32 Å²	32	49.7 Å²	49.7	14%	0.139	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-125.6	98.6	-174.3	-62	169.4	-145.6	-176.8	0	109.5	A686 Q720 M725 Q874 V876	A686-K723 HydrophobicContact CB-CB 4.45Å; A686-K723 HydrophobicContact CB-CG 4.24Å; Q720-K723 HydrophobicContact CB-CB 4.16Å; Q720-K723 HydrophobicContact CB-CD 4.26Å; Q720-K723 HydrophobicContact CB-CG 4.49Å; Q720-K723 CarbonylContact O-C 3.45Å; Q720-K723 PolarHBondContact O-N 3.22Å; Q720-K723 VanDerWaalsContact O-O 3.11Å; K723-M725 HydrophobicContact CB-CG 4.49Å; K723-M725 PolarHBondContact O-N 3.28Å; K723-Q874 HydrophobicContact CD-CB 4.28Å; K723-Q874 PolarHBondContact NZ-O 3.45Å; K723-V876 HydrophobicContact CB-CG1 4.26Å; K723-V876 HydrophobicContact CD-CG1 4.36Å
724	P	96.9	Very high	93.4	Very high	12 Å²	12	47.6 Å²	47.6	8%	0.078	25%	0.246	C	C	.	.			trans	-77	52.7	179.2	33.4	-36.9	0	0	0	112.3	H684 W718 Y847 G848 V849	H684-P724 HydrophobicContact CB-CG 4.05Å; H684-P724 WeakPolarHBondContact ND1-CD 3.43Å; W718-P724 VanDerWaalsContact CD2-CA 3.49Å; W718-P724 HydrophobicContact CD2-CB 4.03Å; W718-P724 VanDerWaalsContact CE3-C 3.45Å; W718-P724 HydrophobicContact CE3-CB 4.42Å; W718-P724 HydrophobicContact CH2-CB 4.26Å; W718-P724 HydrophobicContact CZ2-CB 3.83Å; W718-P724 WeakPolarHBondContact CZ3-O 3.24Å; P724-Y847 WeakPolarHBondContact CB-O 3.41Å; P724-Y847 WeakPolarHBondContact CG-O 3.41Å; P724-G848 CarbonylContact O-C 3.59Å; P724-G848 WeakPolarHBondContact O-CA 3.48Å; P724-V849 PolarHBondContact O-N 3.19Å; P724-V849 VanDerWaalsContact O-N 3.07Å
725	M	97.9	Very high	93	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.1	174.9	61.1	-175.7	-177.3	0	0	111.7	A686 L687 K723 V849 Y870 Y871 V876	A686-M725 HydrophobicContact CB-CE 4.28Å; L687-M725 HydrophobicContact CD2-CB 3.7Å; L687-M725 HydrophobicContact CD2-CG 4.22Å; L687-M725 HydrophobicContact CD2-SD 4.07Å; K723-M725 HydrophobicContact CB-CG 4.49Å; K723-M725 PolarHBondContact O-N 3.28Å; M725-V849 WeakPolarHBondContact CA-O 3.37Å; M725-V849 WeakPolarHBondContact CB-O 3.36Å; M725-Y870 HydrophobicContact CE-CE1 3.86Å; M725-Y871 HydrophobicContact CB-CE1 4.24Å; M725-Y871 HydrophobicContact CG-CE1 4.27Å; M725-Y871 HydrophobicContact SD-CE1 4.41Å; M725-Y871 HydrophobicContact SD-CE2 4.38Å; M725-V876 HydrophobicContact CE-CG2 4.36Å; M725-V876 HydrophobicContact CG-CG2 4.39Å; M725-V876 WeakPolarHBondContact O-CB 3.32Å; M725-V876 WeakPolarHBondContact O-CG1 3.12Å
726	F	98.2	Very high	92.3	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	156.3	164.4	61.9	-82.2	0	0	0	112.7	F716 W718 P719 Y728 V849 I850 I851 V876 V878 L885	F716-F726 HydrophobicContact CE1-CE1 4.04Å; F716-F726 HydrophobicContact CZ-CE1 4.17Å; F716-F726 HydrophobicContact CZ-CZ 4.43Å; W718-F726 AromaticContact CE3-CD1 3.75Å; W718-F726 HydrophobicContact CE3-CD1 3.75Å; W718-F726 AromaticContact CE3-CE1 3.93Å; W718-F726 HydrophobicContact CE3-CE1 3.93Å; W718-F726 AromaticContact CZ3-CD1 3.83Å; W718-F726 HydrophobicContact CZ3-CD1 3.83Å; W718-F726 AromaticContact CZ3-CE1 3.86Å; W718-F726 HydrophobicContact CZ3-CE1 3.86Å; P719-F726 HydrophobicContact CG-CB 3.99Å; P719-F726 HydrophobicContact CG-CD1 4.12Å; P719-F726 HydrophobicContact CG-CG 4Å; F726-Y728 HydrophobicContact CE2-CD2 4.43Å; F726-Y728 HydrophobicContact CE2-CG 4.24Å; F726-V849 PolarHBondContact N-O 3.25Å; F726-I850 HydrophobicContact CD1-CG1 4.06Å; F726-I850 HydrophobicContact CD1-CG2 4.43Å; F726-I850 HydrophobicContact CD2-CG2 4.15Å; F726-I850 HydrophobicContact CE1-CB 4.4Å; F726-I850 HydrophobicContact CE1-CD1 3.6Å; F726-I850 HydrophobicContact CE1-CG1 3.59Å; F726-I850 HydrophobicContact CE1-CG2 3.98Å; F726-I850 HydrophobicContact CE2-CG2 3.69Å; F726-I850 HydrophobicContact CZ-CB 4.45Å; F726-I850 HydrophobicContact CZ-CD1 3.85Å; F726-I850 HydrophobicContact CZ-CG1 4.02Å; F726-I850 HydrophobicContact CZ-CG2 3.59Å; F726-I851 PolarHBondContact O-N 2.86Å; F726-V876 CarbonylContact C-O 3.54Å; F726-V876 VanDerWaalsContact CA-O 3.24Å; F726-V876 WeakPolarHBondContact CA-O 3.3Å; F726-V876 HydrophobicContact CB-CB 4.21Å; F726-V876 VanDerWaalsContact CB-O 3.29Å; F726-V876 WeakPolarHBondContact CB-O 3.32Å; F726-V878 HydrophobicContact CB-CG2 4.02Å; F726-V878 HydrophobicContact CD2-CG2 3.48Å; F726-V878 VanDerWaalsContact CD2-CG2 3.48Å; F726-V878 HydrophobicContact CE2-CG2 4.28Å; F726-V878 HydrophobicContact CG-CG2 4.09Å; F726-L885 HydrophobicContact CE2-CD1 4.12Å; F726-L885 HydrophobicContact CZ-CD1 4.31Å
727	F	98.4	Very high	91.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	118	168.5	-170.5	-65.8	0	0	0	107.7	V729 I851 G853 P855 L858 W864 L868 Y871 V876 L877 V878	F727-V729 HydrophobicContact CD1-CG2 4.24Å; F727-I851 CarbonylContact C-O 3.44Å; F727-I851 WeakPolarHBondContact CA-O 3.5Å; F727-I851 HydrophobicContact CD2-CB 3.74Å; F727-I851 HydrophobicContact CD2-CD1 4.33Å; F727-I851 HydrophobicContact CD2-CG2 3.57Å; F727-I851 HydrophobicContact CE2-CB 4.18Å; F727-I851 HydrophobicContact CE2-CG2 3.47Å; F727-I851 VanDerWaalsContact CE2-CG2 3.47Å; F727-I851 HydrophobicContact CG-CB 4.3Å; F727-I851 HydrophobicContact CG-CG2 4.47Å; F727-I851 HydrophobicContact CZ-CG2 4.29Å; F727-G853 WeakPolarHBondContact CE1-O 3.27Å; F727-P855 HydrophobicContact CD1-CG 4.35Å; F727-P855 HydrophobicContact CE1-CG 3.69Å; F727-P855 HydrophobicContact CZ-CG 4.25Å; F727-L858 HydrophobicContact CE2-CD1 4.02Å; F727-L858 HydrophobicContact CZ-CD1 3.73Å; F727-W864 HydrophobicContact CE2-CZ3 4.35Å; F727-L868 HydrophobicContact CD1-CD2 4.27Å; F727-L868 HydrophobicContact CD2-CD2 3.82Å; F727-L868 HydrophobicContact CE1-CD2 4.24Å; F727-L868 HydrophobicContact CE2-CD2 3.75Å; F727-L868 HydrophobicContact CG-CD2 4.11Å; F727-L868 HydrophobicContact CZ-CD2 3.99Å; F727-Y871 HydrophobicContact CB-CD1 3.62Å; F727-Y871 HydrophobicContact CB-CE1 4.24Å; F727-Y871 HydrophobicContact CB-CG 4.22Å; F727-V876 PolarHBondContact N-O 2.95Å; F727-L877 HydrophobicContact CB-CD1 3.78Å; F727-L877 HydrophobicContact CD1-CD1 3.53Å; F727-L877 HydrophobicContact CE1-CD1 4.45Å; F727-L877 HydrophobicContact CG-CD1 3.82Å; F727-V878 PolarHBondContact O-N 3.31Å
728	Y	97.9	Very high	90	Very high	15 Å²	15	36.7 Å²	36.7	6%	0.059	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	102.7	-177.6	-170.6	-139.6	0	0	0	110.5	F726 T730 N751 I755 I851 V852 G853 V878 G880 L882 L885	F726-Y728 HydrophobicContact CE2-CD2 4.43Å; F726-Y728 HydrophobicContact CE2-CG 4.24Å; Y728-T730 PolarHBondContact O-N 3.11Å; Y728-T730 VanDerWaalsContact O-N 3.16Å; Y728-T730 PolarHBondContact O-OG1 3.39Å; Y728-N751 HydrophobicContact CD1-CB 4.11Å; Y728-N751 HydrophobicContact CE1-CB 3.67Å; Y728-N751 VanDerWaalsContact CE1-CG 3.43Å; Y728-N751 WeakPolarHBondContact CE1-ND2 3.16Å; Y728-I755 HydrophobicContact CD1-CD1 3.99Å; Y728-I755 HydrophobicContact CE1-CD1 4.5Å; Y728-I851 PolarHBondContact N-O 3.23Å; Y728-V852 HydrophobicContact CD1-CG1 4.31Å; Y728-V852 HydrophobicContact CD1-CG2 4.45Å; Y728-G853 PolarHBondContact O-N 3.12Å; Y728-V878 WeakPolarHBondContact CA-O 3.41Å; Y728-G880 VanDerWaalsContact CE2-O 3.25Å; Y728-G880 WeakPolarHBondContact CE2-O 3.48Å; Y728-G880 PolarHBondContact OH-O 3.07Å; Y728-G880 VanDerWaalsContact OH-O 3.07Å; Y728-L882 HydrophobicContact CD1-CD2 4.23Å; Y728-L882 HydrophobicContact CD2-CD2 4.42Å; Y728-L882 HydrophobicContact CE1-CD2 3.75Å; Y728-L882 HydrophobicContact CE1-CG 4.32Å; Y728-L882 HydrophobicContact CE2-CD2 3.99Å; Y728-L885 HydrophobicContact CD2-CD2 3.9Å; Y728-L885 HydrophobicContact CE2-CD2 3.53Å
729	V	96.6	Very high	88.2	Confident	16 Å²	16	35.8 Å²	35.8	10%	0.097	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	113	-175.7	178.5	0	0	0	0	110.1	F727 L731 P855 L877 V878 E879 M890	F727-V729 HydrophobicContact CD1-CG2 4.24Å; V729-L731 HydrophobicContact CG1-CD2 4.07Å; V729-L731 HydrophobicContact CG1-CG 4.3Å; V729-P855 HydrophobicContact CB-CG 4.43Å; V729-P855 HydrophobicContact CG1-CG 4.08Å; V729-P855 HydrophobicContact CG2-CG 3.85Å; V729-L877 HydrophobicContact CG2-CD1 3.61Å; V729-L877 HydrophobicContact CG2-CG 4.19Å; V729-V878 WeakPolarHBondContact CG2-O 3.46Å; V729-V878 PolarHBondContact N-O 3.03Å; V729-E879 HydrophobicContact CB-CB 4.2Å; V729-M890 HydrophobicContact CG1-CE 4.4Å
730	T	93.7	Very high	86.5	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.018	19%	0.186	C	C	.	.			trans	-122.5	118.7	179.3	-61.2	0	0	0	0	109.4	Y728 T747 E748 N751 V852 G853 N854	Y728-T730 PolarHBondContact O-N 3.11Å; Y728-T730 VanDerWaalsContact O-N 3.16Å; Y728-T730 PolarHBondContact O-OG1 3.39Å; T730-T747 HydrophobicContact CG2-CG2 3.68Å; T730-E748 HydrophobicContact CG2-CG 3.84Å; T730-N751 PolarHBondContact OG1-ND2 2.85Å; T730-V852 WeakPolarHBondContact OG1-CG1 3.44Å; T730-G853 PolarHBondContact N-O 3.09Å; T730-G853 CarbonylContact O-C 3.45Å; T730-N854 VanDerWaalsContact O-CA 3.31Å; T730-N854 WeakPolarHBondContact O-CA 3.44Å; T730-N854 VanDerWaalsContact O-CB 3.31Å; T730-N854 WeakPolarHBondContact O-CB 3.26Å
731	L	88.9	Confident	85.2	Confident	103 Å²	103	34.6 Å²	34.6	54%	0.539	19%	0.191	S	C	.	.			trans	-102.4	29.6	-175.3	-57.2	-178.7	0	0	0	113.2	V729	V729-L731 HydrophobicContact CG1-CD2 4.07Å; V729-L731 HydrophobicContact CG1-CG 4.3Å
732	G	84.3	Confident	84.3	Confident	7 Å²	7	29.5 Å²	29.5	7%	0.072	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-74.8	147.6	173.1	0	0	0	0	0	112.2	N745 T747 A823	G732-N745 PolarHBondContact O-ND2 2.86Å; G732-T747 VanDerWaalsContact CA-OG1 3.32Å; G732-T747 WeakPolarHBondContact CA-OG1 3.49Å; G732-A823 WeakPolarHBondContact O-CB 3.25Å
733	Q	83.4	Confident	83.8	Confident	137 Å²	137	26.2 Å²	26.2	64%	0.64	14%	0.139	S	C	*	.	P	Polyproline II helix	trans	-72.2	153.9	176.5	-69	176.7	-16.4	0	0	112.3	N745	Q733-N745 PolarHBondContact O-ND2 2.67Å
734	E	85.9	Confident	83.4	Confident	35 Å²	35	24.9 Å²	24.9	16%	0.164	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-85.4	139	171.2	68.3	-172.9	-123.1	0	0	110.7	Y743 R822 A823 N824	E734-Y743 HydrophobicContact CG-CD1 4.45Å; E734-R822 IonicContact OE1-CZ 3.98Å; E734-R822 VanDerWaalsContact OE1-CZ 3.23Å; E734-R822 IonicContact OE1-NE 3.89Å; E734-R822 PolarHBondContact OE1-NE 3.24Å; E734-R822 IonicContact OE1-NH2 3.06Å; E734-R822 PolarHBondContact OE1-NH2 3.18Å; E734-R822 VanDerWaalsContact OE2-CA 3.27Å; E734-R822 WeakPolarHBondContact OE2-CA 3.43Å; E734-R822 IonicContact OE2-CZ 3.52Å; E734-R822 IonicContact OE2-NE 3.83Å; E734-R822 PolarHBondContact OE2-NE 3.17Å; E734-R822 IonicContact OE2-NH2 2.72Å; E734-A823 PolarHBondContact OE2-N 3.13Å; E734-N824 PolarHBondContact OE1-ND2 2.94Å; E734-N824 PolarHBondContact OE2-N 3.42Å; E734-N824 PolarHBondContact OE2-ND2 3.31Å
735	E	82.9	Confident	83.2	Confident	26 Å²	26	24.3 Å²	24.3	12%	0.121	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	151.6	172	-57.8	167	-87.2	0	0	110	R188 Y743 L744 R746	R188-E735 IonicContact CZ-OE1 2.72Å; R188-E735 IonicContact NH1-OE1 3.8Å; R188-E735 PolarHBondContact NH1-OE1 2.91Å; R188-E735 IonicContact NH1-OE2 2.75Å; R188-E735 PolarHBondContact NH1-OE2 2.8Å; R188-E735 IonicContact NH2-OE1 2.65Å; E735-Y743 WeakPolarHBondContact O-CA 3.44Å; E735-L744 HydrophobicContact CB-CD1 3.74Å; E735-L744 HydrophobicContact CB-CG 4.43Å; E735-L744 HydrophobicContact CG-CD1 4.27Å; E735-L744 PolarHBondContact N-O 3.14Å; E735-L744 PolarHBondContact O-N 2.86Å; E735-L744 VanDerWaalsContact OE1-CD1 3.29Å; E735-L744 WeakPolarHBondContact OE1-CD1 3.37Å; E735-R746 WeakPolarHBondContact OE1-CG 3.27Å; E735-R746 IonicContact OE1-CZ 2.79Å; E735-R746 IonicContact OE1-NE 3.17Å; E735-R746 PolarHBondContact OE1-NE 3.12Å; E735-R746 IonicContact OE1-NH2 2.56Å; E735-R746 IonicContact OE2-CZ 3.83Å; E735-R746 IonicContact OE2-NE 2.78Å; E735-R746 PolarHBondContact OE2-NE 2.85Å; E735-R746 IonicContact OE2-NH2 3.75Å; E735-R746 PolarHBondContact OE2-NH2 3.05Å
736	I	78.8	Confident	82.8	Confident	24 Å²	24	27.4 Å²	27.4	12%	0.123	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.6	166.1	-51.3	178.9	0	0	0	107.7	V135 F170 I211 R214 G740	V135-I736 HydrophobicContact CG1-CD1 4.4Å; F170-I736 HydrophobicContact CD1-CB 4.38Å; F170-I736 HydrophobicContact CD1-CD1 4.47Å; F170-I736 HydrophobicContact CD1-CG2 3.79Å; F170-I736 HydrophobicContact CE1-CD1 4.45Å; F170-I736 HydrophobicContact CE1-CG2 4.28Å; I211-I736 HydrophobicContact CG2-CD1 3.98Å; R214-I736 HydrophobicContact CG-CD1 4.29Å; I736-G740 WeakPolarHBondContact CG2-O 3.06Å
737	A	73.9	Confident	82.5	Confident	3 Å²	3	30.5 Å²	30.5	3%	0.025	16%	0.16	C	C	.	.			trans	-75.3	166.1	175.4	0	0	0	0	0	111.2	F170 S739 G740 S742 L744	F170-A737 WeakPolarHBondContact CB-O 3.25Å; A737-S739 PolarHBondContact O-N 3.15Å; A737-G740 PolarHBondContact O-N 3.17Å; A737-S742 PolarHBondContact N-O 3.04Å; A737-L744 HydrophobicContact CB-CD2 4.24Å
738	S	63.4	Low	82.3	Confident	30 Å²	30	30.5 Å²	30.5	21%	0.21	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-10.5	175.8	62.3	0	0	0	0	115.1	N168	N168-S738 PolarHBondContact ND2-O 3.4Å
739	S	58.5	Low	82.1	Confident	12 Å²	12	29.8 Å²	29.8	8%	0.084	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.4	177.4	86.6	0	0	0	0	113.9	D329 A737 T741 S742	D329-S739 CarbonylContact C-O 3.53Å; D329-S739 VanDerWaalsContact CA-O 3.31Å; D329-S739 WeakPolarHBondContact CA-O 3.29Å; D329-S739 WeakPolarHBondContact CB-O 3.35Å; D329-S739 WeakPolarHBondContact OD1-CA 3.34Å; A737-S739 PolarHBondContact O-N 3.15Å; S739-T741 PolarHBondContact O-N 3.06Å; S739-T741 PolarHBondContact O-OG1 2.75Å; S739-T741 PolarHBondContact OG-OG1 2.89Å; S739-S742 VanDerWaalsContact OG-CB 3.27Å; S739-S742 WeakPolarHBondContact OG-CB 3.27Å; S739-S742 PolarHBondContact OG-N 3.47Å
740	G	59.6	Low	82	Confident	4 Å²	4	30 Å²	30	4%	0.041	16%	0.16	C	C	.	.	S	Bend	trans	68.1	-35.5	-176.4	0	0	0	0	0	116.2	V139 I736 A737	V139-G740 WeakPolarHBondContact CG2-O 3.37Å; I736-G740 WeakPolarHBondContact CG2-O 3.06Å; A737-G740 PolarHBondContact O-N 3.17Å
741	T	66.4	Low	82.1	Confident	52 Å²	52	30.8 Å²	30.8	32%	0.319	16%	0.164	S	C	.	.	S	Bend	trans	-97.3	-19.6	-174.2	54.8	0	0	0	0	114.6	V139 D329 S739	V139-T741 HydrophobicContact CG1-CG2 4.17Å; D329-T741 VanDerWaalsContact C-OG1 3.3Å; D329-T741 WeakPolarHBondContact O-CB 3.5Å; D329-T741 WeakPolarHBondContact O-CG2 3.38Å; D329-T741 PolarHBondContact O-OG1 2.79Å; S739-T741 PolarHBondContact O-N 3.06Å; S739-T741 PolarHBondContact O-OG1 2.75Å; S739-T741 PolarHBondContact OG-OG1 2.89Å
742	S	74.9	Confident	82.5	Confident	9 Å²	9	25.9 Å²	25.9	6%	0.063	14%	0.138	C	C	.	.			trans	-105.5	168.2	-177.1	-148	0	0	0	0	112.1	A737 S739 E776 G777	A737-S742 PolarHBondContact N-O 3.04Å; S739-S742 VanDerWaalsContact OG-CB 3.27Å; S739-S742 WeakPolarHBondContact OG-CB 3.27Å; S739-S742 PolarHBondContact OG-N 3.47Å; S742-E776 PolarHBondContact OG-N 3.09Å; S742-G777 PolarHBondContact OG-N 3.03Å
743	Y	83.6	Confident	83	Confident	27 Å²	27	25.8 Å²	25.8	11%	0.106	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.4	-175.3	-65.1	-102.4	0	0	0	110.8	R214 E734 E735 Y775 Q778	R214-Y743 PolarHBondContact NE-OH 3.07Å; R214-Y743 PolarHBondContact NH2-OH 3.38Å; E734-Y743 HydrophobicContact CG-CD1 4.45Å; E735-Y743 WeakPolarHBondContact O-CA 3.44Å; Y743-Y775 AromaticContact CD2-CD1 3.83Å; Y743-Y775 HydrophobicContact CD2-CD1 3.83Å; Y743-Y775 AromaticContact CD2-CE1 3.45Å; Y743-Y775 HydrophobicContact CD2-CE1 3.45Å; Y743-Y775 VanDerWaalsContact CD2-CE1 3.45Å; Y743-Y775 HydrophobicContact CE2-CE1 4.37Å; Y743-Y775 HydrophobicContact CG-CD1 4.26Å; Y743-Y775 HydrophobicContact CG-CE1 4.03Å; Y743-Y775 WeakPolarHBondContact O-CB 3.5Å; Y743-Q778 PolarHBondContact O-N 3.33Å; Y743-Q778 VanDerWaalsContact O-N 3.11Å
744	L	88.1	Confident	83.6	Confident	5 Å²	5	23.8 Å²	23.8	3%	0.026	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	172.4	174	60.5	72.5	0	0	0	110.7	E735 A737 Q778 Y781	E735-L744 HydrophobicContact CB-CD1 3.74Å; E735-L744 HydrophobicContact CB-CG 4.43Å; E735-L744 HydrophobicContact CG-CD1 4.27Å; E735-L744 PolarHBondContact N-O 3.14Å; E735-L744 PolarHBondContact O-N 2.86Å; E735-L744 VanDerWaalsContact OE1-CD1 3.29Å; E735-L744 WeakPolarHBondContact OE1-CD1 3.37Å; A737-L744 HydrophobicContact CB-CD2 4.24Å; L744-Q778 HydrophobicContact CB-CB 4.23Å; L744-Y781 HydrophobicContact CD2-CG 4.23Å
745	N	91.1	Very high	84.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.			trans	-148.5	113.8	175.5	-171.4	-45.5	0	0	0	109.9	G732 Q733 T747 E748 A749 Q778 V821	G732-N745 PolarHBondContact O-ND2 2.86Å; Q733-N745 PolarHBondContact O-ND2 2.67Å; N745-T747 PolarHBondContact OD1-N 3.49Å; N745-T747 VanDerWaalsContact OD1-N 3.17Å; N745-E748 HydrophobicContact CB-CB 4.04Å; N745-E748 HydrophobicContact CB-CG 4.02Å; N745-E748 PolarHBondContact O-N 2.72Å; N745-E748 PolarHBondContact OD1-N 3.36Å; N745-E748 VanDerWaalsContact OD1-N 3.12Å; N745-A749 WeakPolarHBondContact O-CB 3.09Å; N745-A749 PolarHBondContact O-N 3.46Å; N745-Q778 PolarHBondContact O-NE2 3.33Å; N745-Q778 VanDerWaalsContact O-NE2 3.1Å; N745-Q778 PolarHBondContact O-OE1 3.46Å; N745-V821 HydrophobicContact CB-CG1 4.32Å; N745-V821 PolarHBondContact ND2-O 3.12Å; N745-V821 VanDerWaalsContact ND2-O 3.12Å
746	R	90	Very high	84.7	Confident	66 Å²	66	20.9 Å²	20.9	25%	0.249	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-41.6	-177	-67.8	180	-154.8	-150	-1	112.9	E735 A749 S750 Y781	E735-R746 WeakPolarHBondContact OE1-CG 3.27Å; E735-R746 IonicContact OE1-CZ 2.79Å; E735-R746 IonicContact OE1-NE 3.17Å; E735-R746 PolarHBondContact OE1-NE 3.12Å; E735-R746 IonicContact OE1-NH2 2.56Å; E735-R746 IonicContact OE2-CZ 3.83Å; E735-R746 IonicContact OE2-NE 2.78Å; E735-R746 PolarHBondContact OE2-NE 2.85Å; E735-R746 IonicContact OE2-NH2 3.75Å; E735-R746 PolarHBondContact OE2-NH2 3.05Å; R746-A749 PolarHBondContact O-N 2.96Å; R746-S750 PolarHBondContact O-N 2.84Å; R746-Y781 HydrophobicContact CB-CE1 4.49Å; R746-Y781 HydrophobicContact CG-CE1 4.08Å
747	T	91.8	Very high	85.5	Confident	66 Å²	66	20.2 Å²	20.2	41%	0.405	11%	0.108	S	C	.	.	H	α-helix	trans	-68.7	-40.4	-176.4	-41.8	0	0	0	0	110	T730 G732 N745 N751	T730-T747 HydrophobicContact CG2-CG2 3.68Å; G732-T747 VanDerWaalsContact CA-OG1 3.32Å; G732-T747 WeakPolarHBondContact CA-OG1 3.49Å; N745-T747 PolarHBondContact OD1-N 3.49Å; N745-T747 VanDerWaalsContact OD1-N 3.17Å; T747-N751 WeakPolarHBondContact O-CB 3.2Å; T747-N751 VanDerWaalsContact O-CG 3.28Å; T747-N751 PolarHBondContact O-N 2.65Å; T747-N751 VanDerWaalsContact O-N 3.08Å; T747-N751 PolarHBondContact O-ND2 3.37Å
748	E	94.9	Very high	86.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-46.5	169.3	-68.6	-168.7	-157.1	0	0	111.7	T730 N745 S750 N751 V752 S819 C820 V821 V852 G853	T730-E748 HydrophobicContact CG2-CG 3.84Å; N745-E748 HydrophobicContact CB-CB 4.04Å; N745-E748 HydrophobicContact CB-CG 4.02Å; N745-E748 PolarHBondContact O-N 2.72Å; N745-E748 PolarHBondContact OD1-N 3.36Å; N745-E748 VanDerWaalsContact OD1-N 3.12Å; E748-S750 PolarHBondContact O-N 2.83Å; E748-N751 CarbonylContact O-C 3.45Å; E748-N751 WeakPolarHBondContact O-CA 3.31Å; E748-N751 WeakPolarHBondContact O-CB 3.26Å; E748-N751 PolarHBondContact O-N 3.3Å; E748-N751 VanDerWaalsContact O-N 3.07Å; E748-V752 WeakPolarHBondContact O-CB 3.46Å; E748-V752 VanDerWaalsContact O-CG2 3.26Å; E748-V752 WeakPolarHBondContact O-CG2 3.45Å; E748-V752 PolarHBondContact O-N 3.48Å; E748-S819 WeakPolarHBondContact OE2-CB 3.34Å; E748-S819 PolarHBondContact OE2-OG 3.18Å; E748-C820 PolarHBondContact OE2-N 2.78Å; E748-V821 VanDerWaalsContact OE1-CA 3.24Å; E748-V821 WeakPolarHBondContact OE1-CA 3.45Å; E748-V821 PolarHBondContact OE1-N 3.2Å; E748-V821 PolarHBondContact OE2-N 2.95Å; E748-V852 HydrophobicContact CB-CG1 4.1Å; E748-V852 HydrophobicContact CG-CG1 4.02Å; E748-G853 WeakPolarHBondContact OE1-CA 3.39Å
749	A	93.6	Very high	88.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-41.9	-177.6	0	0	0	0	0	112.9	N745 R746 N751 V752 E753 Y781 L782	N745-A749 WeakPolarHBondContact O-CB 3.09Å; N745-A749 PolarHBondContact O-N 3.46Å; R746-A749 PolarHBondContact O-N 2.96Å; A749-N751 VanDerWaalsContact C-N 3.33Å; A749-N751 PolarHBondContact O-N 2.77Å; A749-V752 PolarHBondContact O-N 3.41Å; A749-E753 PolarHBondContact O-N 3.31Å; A749-Y781 HydrophobicContact CB-CD1 3.79Å; A749-Y781 HydrophobicContact CB-CE1 3.69Å; A749-L782 HydrophobicContact CB-CD2 3.8Å; A749-L782 HydrophobicContact CB-CG 4.4Å
750	S	93.9	Very high	89.8	Confident	21 Å²	21	22.6 Å²	22.6	15%	0.147	11%	0.112	C	C	.	.	H	α-helix	trans	-65.1	-36	173.6	-168.8	0	0	0	0	112.4	R746 E748 K754 Y785	R746-S750 PolarHBondContact O-N 2.84Å; E748-S750 PolarHBondContact O-N 2.83Å; S750-K754 VanDerWaalsContact O-CD 3.28Å; S750-K754 WeakPolarHBondContact O-CD 3.48Å; S750-K754 VanDerWaalsContact O-CG 3.25Å; S750-K754 WeakPolarHBondContact O-CG 3.46Å; S750-K754 PolarHBondContact O-N 2.9Å; S750-K754 PolarHBondContact OG-NZ 2.91Å; S750-Y785 WeakPolarHBondContact CB-OH 3.49Å; S750-Y785 PolarHBondContact OG-OH 2.56Å
751	N	95.9	Very high	91.5	Very high	20 Å²	20	29.2 Å²	29.2	11%	0.107	14%	0.139	C	C	.	.	H	α-helix	trans	-69.5	-38.7	174.8	-79.3	-12.7	0	0	0	112.1	Y728 T730 T747 E748 A749 K754 I755 V852	Y728-N751 HydrophobicContact CD1-CB 4.11Å; Y728-N751 HydrophobicContact CE1-CB 3.67Å; Y728-N751 VanDerWaalsContact CE1-CG 3.43Å; Y728-N751 WeakPolarHBondContact CE1-ND2 3.16Å; T730-N751 PolarHBondContact OG1-ND2 2.85Å; T747-N751 WeakPolarHBondContact O-CB 3.2Å; T747-N751 VanDerWaalsContact O-CG 3.28Å; T747-N751 PolarHBondContact O-N 2.65Å; T747-N751 VanDerWaalsContact O-N 3.08Å; T747-N751 PolarHBondContact O-ND2 3.37Å; E748-N751 CarbonylContact O-C 3.45Å; E748-N751 WeakPolarHBondContact O-CA 3.31Å; E748-N751 WeakPolarHBondContact O-CB 3.26Å; E748-N751 PolarHBondContact O-N 3.3Å; E748-N751 VanDerWaalsContact O-N 3.07Å; A749-N751 VanDerWaalsContact C-N 3.33Å; A749-N751 PolarHBondContact O-N 2.77Å; N751-K754 PolarHBondContact O-N 3.37Å; N751-I755 WeakPolarHBondContact O-CD1 3.33Å; N751-I755 VanDerWaalsContact O-CG1 3.23Å; N751-I755 WeakPolarHBondContact O-CG1 3.47Å; N751-I755 PolarHBondContact O-N 2.65Å; N751-V852 HydrophobicContact CB-CG1 4.07Å
752	V	97	Very high	92.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.2	-40.7	177	170.9	0	0	0	0	111.6	E748 A749 I755 T756 I771 L782 M786 I817 V852	E748-V752 WeakPolarHBondContact O-CB 3.46Å; E748-V752 VanDerWaalsContact O-CG2 3.26Å; E748-V752 WeakPolarHBondContact O-CG2 3.45Å; E748-V752 PolarHBondContact O-N 3.48Å; A749-V752 PolarHBondContact O-N 3.41Å; V752-I755 PolarHBondContact O-N 2.7Å; V752-T756 PolarHBondContact O-N 2.83Å; V752-T756 PolarHBondContact O-OG1 2.96Å; V752-I771 HydrophobicContact CG1-CD1 3.92Å; V752-I771 HydrophobicContact CG1-CG1 4.48Å; V752-I771 HydrophobicContact CG1-CG2 3.9Å; V752-L782 HydrophobicContact CB-CD2 3.93Å; V752-L782 HydrophobicContact CG1-CD2 3.75Å; V752-M786 HydrophobicContact CG1-CE 3.73Å; V752-I817 HydrophobicContact CG1-CD1 4.49Å; V752-I817 HydrophobicContact CG1-CG2 4.1Å; V752-I817 HydrophobicContact CG2-CG2 3.96Å; V752-V852 HydrophobicContact CG2-CB 4.18Å; V752-V852 HydrophobicContact CG2-CG1 4.4Å; V752-V852 HydrophobicContact CG2-CG2 3.92Å
753	E	95.5	Very high	93.7	Very high	5 Å²	5	29 Å²	29	2%	0.023	15%	0.147	C	C	.	.	H	α-helix	trans	-57.6	-50.4	170.7	-177.9	-77.9	148.3	0	0	111.2	A749 I755 T756 T757 Y785 M786 S791 Y797	A749-E753 PolarHBondContact O-N 3.31Å; E753-I755 VanDerWaalsContact C-N 3.28Å; E753-I755 PolarHBondContact O-N 3.07Å; E753-T756 PolarHBondContact O-N 3.06Å; E753-T756 VanDerWaalsContact O-N 3.13Å; E753-T757 WeakPolarHBondContact O-CB 3.31Å; E753-T757 PolarHBondContact O-N 2.82Å; E753-T757 PolarHBondContact O-OG1 3.01Å; E753-T757 PolarHBondContact OE1-OG1 3.47Å; E753-Y785 HydrophobicContact CB-CD1 4.1Å; E753-Y785 HydrophobicContact CB-CE1 3.85Å; E753-Y785 HydrophobicContact CG-CE1 4.27Å; E753-M786 HydrophobicContact CB-CE 4.29Å; E753-M786 HydrophobicContact CB-CG 4.24Å; E753-M786 HydrophobicContact CG-CG 4.23Å; E753-S791 PolarHBondContact OE1-N 3.34Å; E753-S791 VanDerWaalsContact OE1-N 3.16Å; E753-S791 PolarHBondContact OE1-OG 3.45Å; E753-Y797 PolarHBondContact OE1-OH 3.49Å
754	K	95.1	Very high	94.2	Very high	94 Å²	94	28 Å²	28	41%	0.409	15%	0.145	S	C	.	.	H	α-helix	trans	-61.8	-36.2	-178	-67.6	162	-177.4	146.9	0	112.2	S750 N751 R758 L882	S750-K754 VanDerWaalsContact O-CD 3.28Å; S750-K754 WeakPolarHBondContact O-CD 3.48Å; S750-K754 VanDerWaalsContact O-CG 3.25Å; S750-K754 WeakPolarHBondContact O-CG 3.46Å; S750-K754 PolarHBondContact O-N 2.9Å; S750-K754 PolarHBondContact OG-NZ 2.91Å; N751-K754 PolarHBondContact O-N 3.37Å; K754-R758 WeakPolarHBondContact O-CB 3.26Å; K754-R758 PolarHBondContact O-N 3.04Å; K754-L882 HydrophobicContact CB-CD1 3.58Å
755	I	96.8	Very high	94.5	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-51.3	173.4	-67.4	158.4	0	0	0	110.3	Y728 N751 V752 E753 T757 R758 L759 I817 I850 V852 L882	Y728-I755 HydrophobicContact CD1-CD1 3.99Å; Y728-I755 HydrophobicContact CE1-CD1 4.5Å; N751-I755 WeakPolarHBondContact O-CD1 3.33Å; N751-I755 VanDerWaalsContact O-CG1 3.23Å; N751-I755 WeakPolarHBondContact O-CG1 3.47Å; N751-I755 PolarHBondContact O-N 2.65Å; V752-I755 PolarHBondContact O-N 2.7Å; E753-I755 VanDerWaalsContact C-N 3.28Å; E753-I755 PolarHBondContact O-N 3.07Å; I755-T757 VanDerWaalsContact C-N 3.34Å; I755-T757 PolarHBondContact O-N 3.09Å; I755-R758 PolarHBondContact O-N 3.04Å; I755-R758 VanDerWaalsContact O-N 3.09Å; I755-L759 HydrophobicContact CG2-CD1 4.14Å; I755-L759 HydrophobicContact CG2-CG 4.42Å; I755-L759 WeakPolarHBondContact O-CG 3.09Å; I755-L759 PolarHBondContact O-N 3.23Å; I755-I817 HydrophobicContact CB-CD1 4.13Å; I755-I817 HydrophobicContact CG2-CD1 3.58Å; I755-I817 HydrophobicContact CG2-CG1 3.98Å; I755-I850 HydrophobicContact CD1-CG2 3.81Å; I755-I850 HydrophobicContact CG2-CB 4.48Å; I755-I850 HydrophobicContact CG2-CD1 3.48Å; I755-I850 VanDerWaalsContact CG2-CD1 3.48Å; I755-I850 HydrophobicContact CG2-CG2 4.29Å; I755-V852 HydrophobicContact CD1-CG2 3.49Å; I755-V852 VanDerWaalsContact CD1-CG2 3.49Å; I755-L882 HydrophobicContact CG1-CD1 3.77Å; I755-L882 HydrophobicContact CG1-CD2 3.95Å
756	T	96.8	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.5	-47.5	177.7	-59.3	0	0	0	0	111.4	V752 E753 R758 L759 L760 I769 Y797 V800 I817	V752-T756 PolarHBondContact O-N 2.83Å; V752-T756 PolarHBondContact O-OG1 2.96Å; E753-T756 PolarHBondContact O-N 3.06Å; E753-T756 VanDerWaalsContact O-N 3.13Å; T756-R758 VanDerWaalsContact C-N 3.31Å; T756-R758 PolarHBondContact O-N 3.05Å; T756-L759 PolarHBondContact O-N 3.34Å; T756-L760 HydrophobicContact CG2-CD1 4.08Å; T756-L760 HydrophobicContact CG2-CG 4.49Å; T756-L760 WeakPolarHBondContact O-CG 3.28Å; T756-L760 PolarHBondContact O-N 3.38Å; T756-I769 HydrophobicContact CG2-CD1 4.38Å; T756-Y797 HydrophobicContact CG2-CD1 4.16Å; T756-Y797 HydrophobicContact CG2-CE1 4.28Å; T756-V800 HydrophobicContact CG2-CG1 4.35Å; T756-V800 HydrophobicContact CG2-CG2 4.08Å; T756-I817 VanDerWaalsContact OG1-CD1 3.22Å; T756-I817 WeakPolarHBondContact OG1-CD1 3.43Å
757	T	95.5	Very high	94.7	Very high	9 Å²	9	35.5 Å²	35.5	6%	0.055	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-38.3	175.5	-70.9	0	0	0	0	112.4	E753 I755 K761 L792 Y797	E753-T757 WeakPolarHBondContact O-CB 3.31Å; E753-T757 PolarHBondContact O-N 2.82Å; E753-T757 PolarHBondContact O-OG1 3.01Å; E753-T757 PolarHBondContact OE1-OG1 3.47Å; I755-T757 VanDerWaalsContact C-N 3.34Å; I755-T757 PolarHBondContact O-N 3.09Å; T757-K761 HydrophobicContact CG2-CD 4.23Å; T757-K761 WeakPolarHBondContact O-CB 3.35Å; T757-K761 VanDerWaalsContact O-CG 3.29Å; T757-K761 WeakPolarHBondContact O-CG 3.47Å; T757-K761 PolarHBondContact O-N 3.05Å; T757-L792 HydrophobicContact CG2-CD1 4.29Å; T757-L792 HydrophobicContact CG2-CG 4.33Å; T757-Y797 PolarHBondContact OG1-OH 2.82Å
758	R	94.9	Very high	94.9	Very high	74 Å²	74	34 Å²	34	28%	0.279	17%	0.173	S	C	.	.	H	α-helix	trans	-73.1	-36.7	176.3	-166.2	174.1	178.9	108.2	-4.4	112.3	F716 K754 I755 T756 A762 L882	F716-R758 HydrophobicContact CD2-CG 4.17Å; F716-R758 HydrophobicContact CE2-CB 4.2Å; F716-R758 HydrophobicContact CE2-CG 3.86Å; K754-R758 WeakPolarHBondContact O-CB 3.26Å; K754-R758 PolarHBondContact O-N 3.04Å; I755-R758 PolarHBondContact O-N 3.04Å; I755-R758 VanDerWaalsContact O-N 3.09Å; T756-R758 VanDerWaalsContact C-N 3.31Å; T756-R758 PolarHBondContact O-N 3.05Å; R758-A762 VanDerWaalsContact O-CB 3.24Å; R758-A762 WeakPolarHBondContact O-CB 3.4Å; R758-A762 PolarHBondContact O-N 3.42Å; R758-L882 PolarHBondContact NH1-O 3.34Å; R758-L882 PolarHBondContact NH2-O 2.95Å
759	L	95.9	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-45	173	-69.2	172.1	0	0	0	111.7	F714 F716 I755 T756 A762 G763 A764 I769 F815 I817	F714-L759 HydrophobicContact CE2-CD2 4.26Å; F714-L759 HydrophobicContact CZ-CD2 3.76Å; F716-L759 HydrophobicContact CD2-CD2 3.77Å; F716-L759 HydrophobicContact CE2-CD2 3.76Å; F716-L759 HydrophobicContact CE2-CG 4.22Å; F716-L759 HydrophobicContact CG-CD2 4.37Å; F716-L759 HydrophobicContact CZ-CD2 4.36Å; I755-L759 HydrophobicContact CG2-CD1 4.14Å; I755-L759 HydrophobicContact CG2-CG 4.42Å; I755-L759 WeakPolarHBondContact O-CG 3.09Å; I755-L759 PolarHBondContact O-N 3.23Å; T756-L759 PolarHBondContact O-N 3.34Å; L759-A762 WeakPolarHBondContact O-CB 3.5Å; L759-A762 PolarHBondContact O-N 3.15Å; L759-G763 PolarHBondContact O-N 3.39Å; L759-A764 HydrophobicContact CB-CB 4.3Å; L759-A764 VanDerWaalsContact O-CB 3.27Å; L759-A764 WeakPolarHBondContact O-CB 3.49Å; L759-A764 PolarHBondContact O-N 3.28Å; L759-I769 HydrophobicContact CB-CD1 3.86Å; L759-I769 HydrophobicContact CD1-CD1 4.29Å; L759-I769 HydrophobicContact CD1-CG1 4.49Å; L759-I769 HydrophobicContact CD1-CG2 4.49Å; L759-F815 HydrophobicContact CD1-CB 4.14Å; L759-F815 HydrophobicContact CD2-CD1 4.34Å; L759-F815 HydrophobicContact CD2-CG 4.3Å; L759-I817 HydrophobicContact CD1-CD1 4.1Å; L759-I817 HydrophobicContact CD1-CG1 4.31Å
760	L	95.2	Very high	95	Very high	21 Å²	21	34 Å²	34	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-46.1	176.2	-69.2	171.6	0	0	0	111.3	T756 A762 G763 A764 P766 I769 L792 L796 Y797	T756-L760 HydrophobicContact CG2-CD1 4.08Å; T756-L760 HydrophobicContact CG2-CG 4.49Å; T756-L760 WeakPolarHBondContact O-CG 3.28Å; T756-L760 PolarHBondContact O-N 3.38Å; L760-A762 VanDerWaalsContact C-N 3.26Å; L760-A762 PolarHBondContact O-N 2.84Å; L760-G763 PolarHBondContact O-N 3.32Å; L760-A764 WeakPolarHBondContact CD2-O 3.2Å; L760-P766 HydrophobicContact CD2-CG 3.9Å; L760-I769 HydrophobicContact CD2-CD1 3.85Å; L760-I769 HydrophobicContact CG-CD1 4Å; L760-L792 HydrophobicContact CB-CD1 3.79Å; L760-L792 HydrophobicContact CD1-CD1 3.83Å; L760-L792 HydrophobicContact CG-CD1 4.49Å; L760-L796 HydrophobicContact CD1-CB 4.38Å; L760-Y797 HydrophobicContact CD1-CE1 4.29Å
761	K	94.5	Very high	95.1	Very high	144 Å²	144	33 Å²	33	63%	0.626	17%	0.166	S	C	*	.	H	α-helix	trans	-64	-28.7	175	-74.8	178.4	179.3	-177.1	0	113.4	T757 G763	T757-K761 HydrophobicContact CG2-CD 4.23Å; T757-K761 WeakPolarHBondContact O-CB 3.35Å; T757-K761 VanDerWaalsContact O-CG 3.29Å; T757-K761 WeakPolarHBondContact O-CG 3.47Å; T757-K761 PolarHBondContact O-N 3.05Å; K761-G763 PolarHBondContact O-N 3.07Å
762	A	94.3	Very high	95	Very high	10 Å²	10	32.1 Å²	32.1	8%	0.083	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.7	173.6	0	0	0	0	0	114	F714 D715 F716 R758 L759 L760	F714-A762 VanDerWaalsContact CA-O 3.3Å; F714-A762 WeakPolarHBondContact CA-O 3.38Å; F714-A762 HydrophobicContact CD2-CB 3.9Å; F714-A762 WeakPolarHBondContact CD2-O 3.31Å; F714-A762 HydrophobicContact CE2-CB 3.66Å; F714-A762 HydrophobicContact CZ-CB 4.38Å; D715-A762 PolarHBondContact N-O 3.31Å; D715-A762 VanDerWaalsContact N-O 3.17Å; D715-A762 WeakPolarHBondContact O-CB 3.31Å; F716-A762 HydrophobicContact CB-CB 3.93Å; F716-A762 HydrophobicContact CD2-CB 4.22Å; R758-A762 VanDerWaalsContact O-CB 3.24Å; R758-A762 WeakPolarHBondContact O-CB 3.4Å; R758-A762 PolarHBondContact O-N 3.42Å; L759-A762 WeakPolarHBondContact O-CB 3.5Å; L759-A762 PolarHBondContact O-N 3.15Å; L760-A762 VanDerWaalsContact C-N 3.26Å; L760-A762 PolarHBondContact O-N 2.84Å
763	G	93.1	Very high	94.7	Very high	45 Å²	45	32.1 Å²	32.1	46%	0.464	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.5	8.1	178.3	0	0	0	0	0	115.6	L759 L760 K761	L759-G763 PolarHBondContact O-N 3.39Å; L760-G763 PolarHBondContact O-N 3.32Å; K761-G763 PolarHBondContact O-N 3.07Å
764	A	94.9	Very high	94.2	Very high	6 Å²	6	32.9 Å²	32.9	5%	0.05	17%	0.166	C	C	.	.			trans	-70.2	144.8	165.9	0	0	0	0	0	110.5	F714 L759 L760 I769 F815	F714-A764 HydrophobicContact CD2-CB 4.45Å; F714-A764 HydrophobicContact CE2-CB 3.99Å; L759-A764 HydrophobicContact CB-CB 4.3Å; L759-A764 VanDerWaalsContact O-CB 3.27Å; L759-A764 WeakPolarHBondContact O-CB 3.49Å; L759-A764 PolarHBondContact O-N 3.28Å; L760-A764 WeakPolarHBondContact CD2-O 3.2Å; A764-I769 HydrophobicContact CB-CD1 4.22Å; A764-I769 HydrophobicContact CB-CG1 4.33Å; A764-F815 HydrophobicContact CB-CD2 3.89Å; A764-F815 HydrophobicContact CB-CE2 3.73Å
765	K	94.7	Very high	93.5	Very high	129 Å²	129	29.2 Å²	29.2	56%	0.561	15%	0.15	S	C	*	.			trans	-88.7	156.4	171.7	-63.2	-168.7	179.3	-171.8	0	111.5	D767 Q768	K765-D767 WeakPolarHBondContact CB-OD1 3.39Å; K765-D767 PolarHBondContact O-N 2.84Å; K765-Q768 HydrophobicContact CB-CG 4.33Å; K765-Q768 WeakPolarHBondContact O-CB 3.32Å; K765-Q768 PolarHBondContact O-N 3.31Å
766	P	93.1	Very high	92.6	Very high	11 Å²	11	32.7 Å²	32.7	7%	0.071	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-55.9	-44.6	176.6	-29.7	37.9	0	0	0	114.9	L760 Q768 I769 L796 E799 V800	L760-P766 HydrophobicContact CD2-CG 3.9Å; P766-Q768 PolarHBondContact O-N 3.46Å; P766-Q768 VanDerWaalsContact O-N 3.11Å; P766-I769 PolarHBondContact O-N 3.35Å; P766-L796 WeakPolarHBondContact CB-O 3.33Å; P766-L796 HydrophobicContact CG-CB 4.29Å; P766-L796 HydrophobicContact CG-CD2 3.85Å; P766-L796 WeakPolarHBondContact CG-O 3.24Å; P766-E799 HydrophobicContact CB-CB 3.33Å; P766-E799 HydrophobicContact CB-CG 4.49Å; P766-E799 HydrophobicContact CG-CB 4.15Å; P766-V800 HydrophobicContact CB-CG2 3.94Å
767	D	92.1	Very high	91.8	Very high	89 Å²	89	33.2 Å²	33.2	48%	0.476	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.8	-26.5	179.3	68.9	-58.7	0	0	0	113.2	K765 K813	K765-D767 WeakPolarHBondContact CB-OD1 3.39Å; K765-D767 PolarHBondContact O-N 2.84Å; D767-K813 VanDerWaalsContact O-CD 3.26Å; D767-K813 WeakPolarHBondContact O-CD 3.49Å; D767-K813 PolarHBondContact O-NZ 3.04Å
768	Q	94.6	Very high	91.4	Very high	36 Å²	36	32.8 Å²	32.8	17%	0.168	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-86.1	-10.1	-177.5	-72.5	164.1	23	0	0	113.5	K765 P766 D814 F815	K765-Q768 HydrophobicContact CB-CG 4.33Å; K765-Q768 WeakPolarHBondContact O-CB 3.32Å; K765-Q768 PolarHBondContact O-N 3.31Å; P766-Q768 PolarHBondContact O-N 3.46Å; P766-Q768 VanDerWaalsContact O-N 3.11Å; Q768-D814 HydrophobicContact CB-CB 4.04Å; Q768-D814 PolarHBondContact O-N 3.33Å; Q768-F815 PolarHBondContact O-N 2.77Å
769	I	96.4	Very high	91	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	141.3	177.2	-55.6	171.5	0	0	0	109.2	T756 L759 L760 A764 P766 V800 K813 I817	T756-I769 HydrophobicContact CG2-CD1 4.38Å; L759-I769 HydrophobicContact CB-CD1 3.86Å; L759-I769 HydrophobicContact CD1-CD1 4.29Å; L759-I769 HydrophobicContact CD1-CG1 4.49Å; L759-I769 HydrophobicContact CD1-CG2 4.49Å; L760-I769 HydrophobicContact CD2-CD1 3.85Å; L760-I769 HydrophobicContact CG-CD1 4Å; A764-I769 HydrophobicContact CB-CD1 4.22Å; A764-I769 HydrophobicContact CB-CG1 4.33Å; P766-I769 PolarHBondContact O-N 3.35Å; I769-V800 HydrophobicContact CB-CG1 4.02Å; I769-V800 HydrophobicContact CB-CG2 4.27Å; I769-V800 HydrophobicContact CD1-CG2 4.46Å; I769-V800 HydrophobicContact CG2-CG1 3.72Å; I769-K813 WeakPolarHBondContact O-CD 3.46Å; I769-K813 PolarHBondContact O-NZ 3.01Å; I769-I817 HydrophobicContact CG2-CD1 4.47Å
770	G	95.4	Very high	90.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.9	166.3	0	0	0	0	0	111.2	F815 I816 I817	G770-F815 PolarHBondContact N-O 3.17Å; G770-I816 WeakPolarHBondContact O-CA 3.47Å; G770-I817 PolarHBondContact O-N 3.39Å
771	I	95.9	Very high	89.7	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	108.7	176.7	-56.2	177	0	0	0	107.9	V752 L782 M786 V800 E801 I802 A803 I817	V752-I771 HydrophobicContact CG1-CD1 3.92Å; V752-I771 HydrophobicContact CG1-CG1 4.48Å; V752-I771 HydrophobicContact CG1-CG2 3.9Å; I771-L782 HydrophobicContact CG2-CD1 3.96Å; I771-M786 HydrophobicContact CD1-CE 3.43Å; I771-M786 VanDerWaalsContact CD1-CE 3.43Å; I771-M786 HydrophobicContact CD1-SD 4.12Å; I771-V800 HydrophobicContact CD1-CG1 3.74Å; I771-V800 HydrophobicContact CG1-CG1 3.85Å; I771-E801 PolarHBondContact N-O 2.9Å; I771-I802 HydrophobicContact CB-CB 4.4Å; I771-I802 HydrophobicContact CB-CG1 4.19Å; I771-I802 HydrophobicContact CB-CG2 4.08Å; I771-I802 HydrophobicContact CD1-CD1 3.98Å; I771-I802 HydrophobicContact CD1-CG1 4.13Å; I771-I802 HydrophobicContact CG2-CG2 4.09Å; I771-I802 WeakPolarHBondContact O-CA 2.97Å; I771-A803 PolarHBondContact O-N 3.42Å; I771-I817 CarbonylContact C-O 3.57Å; I771-I817 WeakPolarHBondContact CA-O 3.43Å; I771-I817 HydrophobicContact CG1-CB 4.41Å; I771-I817 HydrophobicContact CG1-CD1 4.26Å
772	I	93.3	Very high	89.5	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	114.1	175.1	-56	-176.2	0	0	0	107.3	A803 V805 F808 I816 I817 L818 S819 A841 R844	I772-A803 WeakPolarHBondContact CA-O 3.17Å; I772-V805 HydrophobicContact CG2-CB 4.39Å; I772-V805 HydrophobicContact CG2-CG2 3.6Å; I772-F808 HydrophobicContact CD1-CB 4.38Å; I772-F808 HydrophobicContact CD1-CD2 4.37Å; I772-F808 HydrophobicContact CD1-CG 4.3Å; I772-F808 HydrophobicContact CG1-CD2 3.7Å; I772-F808 HydrophobicContact CG1-CE2 3.91Å; I772-F808 HydrophobicContact CG1-CG 4.09Å; I772-F808 HydrophobicContact CG1-CZ 4.5Å; I772-I816 HydrophobicContact CD1-CD1 4.19Å; I772-I816 HydrophobicContact CD1-CG2 3.71Å; I772-I816 HydrophobicContact CG1-CD1 4.34Å; I772-I816 HydrophobicContact CG1-CG2 3.97Å; I772-I817 PolarHBondContact N-O 3.3Å; I772-L818 HydrophobicContact CB-CD1 4.1Å; I772-L818 HydrophobicContact CG2-CD1 3.88Å; I772-L818 WeakPolarHBondContact O-CA 3.28Å; I772-S819 PolarHBondContact O-N 3.17Å; I772-A841 HydrophobicContact CD1-CB 4.42Å; I772-R844 HydrophobicContact CD1-CB 4.15Å; I772-R844 HydrophobicContact CD1-CG 3.76Å
773	T	91	Very high	88.9	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.133	C	C	.	.			trans	-129.5	128.4	162.3	-171.5	0	0	0	0	110.4	Q778 R779 L782 A803 S804	T773-Q778 HydrophobicContact CG2-CB 4.09Å; T773-Q778 HydrophobicContact CG2-CG 4.09Å; T773-Q778 WeakPolarHBondContact OG1-CB 3.2Å; T773-Q778 VanDerWaalsContact OG1-CG 3.29Å; T773-Q778 WeakPolarHBondContact OG1-CG 3.45Å; T773-R779 VanDerWaalsContact CG2-CA 3.47Å; T773-R779 HydrophobicContact CG2-CB 3.74Å; T773-R779 HydrophobicContact CG2-CG 4.36Å; T773-L782 HydrophobicContact CG2-CD1 3.89Å; T773-A803 PolarHBondContact N-O 3.49Å; T773-S804 WeakPolarHBondContact O-CA 3.32Å
774	P	83.7	Confident	88.3	Confident	20 Å²	20	24.3 Å²	24.3	13%	0.13	12%	0.121	C	C	.	.	S	Bend	trans	-87.4	-7.2	-172.7	36.6	-40.5	0	0	0	114.4	V805 S819 F831 L832	P774-V805 HydrophobicContact CB-CG2 4.19Å; P774-S819 VanDerWaalsContact CD-O 3.26Å; P774-S819 WeakPolarHBondContact CD-O 3.46Å; P774-F831 HydrophobicContact CB-CD2 3.88Å; P774-F831 HydrophobicContact CB-CE1 3.98Å; P774-F831 HydrophobicContact CB-CE2 3.15Å; P774-F831 HydrophobicContact CB-CZ 3.28Å; P774-F831 HydrophobicContact CG-CD2 4.39Å; P774-F831 HydrophobicContact CG-CE1 4.15Å; P774-F831 HydrophobicContact CG-CE2 3.25Å; P774-F831 HydrophobicContact CG-CZ 3.14Å; P774-L832 HydrophobicContact CG-CD2 4.29Å
775	Y	82.3	Confident	87.9	Confident	18 Å²	18	26.3 Å²	26.3	7%	0.071	13%	0.128	C	C	.	.			trans	-100.5	124.2	171	-71.1	-83.2	0	0	0	110.3	Y743 G777 Q778 R779 V821 R822 I829 F831	Y743-Y775 AromaticContact CD2-CD1 3.83Å; Y743-Y775 HydrophobicContact CD2-CD1 3.83Å; Y743-Y775 AromaticContact CD2-CE1 3.45Å; Y743-Y775 HydrophobicContact CD2-CE1 3.45Å; Y743-Y775 VanDerWaalsContact CD2-CE1 3.45Å; Y743-Y775 HydrophobicContact CE2-CE1 4.37Å; Y743-Y775 HydrophobicContact CG-CD1 4.26Å; Y743-Y775 HydrophobicContact CG-CE1 4.03Å; Y743-Y775 WeakPolarHBondContact O-CB 3.5Å; Y775-G777 PolarHBondContact O-N 2.8Å; Y775-Q778 WeakPolarHBondContact O-CB 3.43Å; Y775-Q778 PolarHBondContact O-N 2.77Å; Y775-R779 PolarHBondContact O-N 2.8Å; Y775-V821 HydrophobicContact CD2-CB 3.65Å; Y775-V821 HydrophobicContact CD2-CG1 3.87Å; Y775-V821 HydrophobicContact CD2-CG2 3.88Å; Y775-V821 HydrophobicContact CE2-CB 4.08Å; Y775-V821 HydrophobicContact CE2-CG1 4.29Å; Y775-V821 HydrophobicContact CG-CG1 4.41Å; Y775-R822 HydrophobicContact CE2-CG 3.63Å; Y775-R822 VanDerWaalsContact CZ-CD 3.5Å; Y775-R822 VanDerWaalsContact OH-CD 3.25Å; Y775-R822 WeakPolarHBondContact OH-CD 3.38Å; Y775-R822 WeakPolarHBondContact OH-CG 3.41Å; Y775-R822 PolarHBondContact OH-NH1 2.9Å; Y775-R822 VanDerWaalsContact OH-NH1 3.15Å; Y775-I829 PolarHBondContact OH-O 3.11Å; Y775-F831 AromaticContact CD1-CE1 3.9Å; Y775-F831 HydrophobicContact CD1-CE1 3.9Å; Y775-F831 AromaticContact CD2-CE1 3.78Å; Y775-F831 HydrophobicContact CD2-CE1 3.78Å; Y775-F831 AromaticContact CD2-CZ 3.72Å; Y775-F831 HydrophobicContact CD2-CZ 3.72Å; Y775-F831 HydrophobicContact CE1-CD1 4.4Å; Y775-F831 AromaticContact CE1-CE1 3.54Å; Y775-F831 HydrophobicContact CE1-CE1 3.54Å; Y775-F831 HydrophobicContact CE1-CZ 4.33Å; Y775-F831 AromaticContact CE2-CE1 3.4Å; Y775-F831 HydrophobicContact CE2-CE1 3.4Å; Y775-F831 VanDerWaalsContact CE2-CE1 3.4Å; Y775-F831 AromaticContact CE2-CZ 3.31Å; Y775-F831 HydrophobicContact CE2-CZ 3.31Å; Y775-F831 HydrophobicContact CG-CE1 4.01Å; Y775-F831 HydrophobicContact CG-CZ 4.37Å; Y775-F831 AromaticContact CZ-CE1 3.26Å; Y775-F831 AromaticContact CZ-CZ 3.65Å
776	E	77.4	Confident	87.5	Confident	74 Å²	74	20.3 Å²	20.3	35%	0.346	10%	0.101	S	C	.	.	H	α-helix	trans	-60.1	-34.1	178.9	-176.6	53.2	-150.8	0	0	112.7	S742 Q778 R779 S780	S742-E776 PolarHBondContact OG-N 3.09Å; E776-Q778 VanDerWaalsContact C-N 3.34Å; E776-Q778 PolarHBondContact O-N 2.8Å; E776-R779 VanDerWaalsContact CD-NE 3.25Å; E776-R779 WeakPolarHBondContact O-CB 3.01Å; E776-R779 PolarHBondContact O-N 3.36Å; E776-R779 VanDerWaalsContact O-N 3.15Å; E776-R779 IonicContact OE1-CZ 3.31Å; E776-R779 IonicContact OE1-NE 2.82Å; E776-R779 PolarHBondContact OE1-NE 2.98Å; E776-R779 IonicContact OE1-NH2 2.64Å; E776-R779 PolarHBondContact OE1-NH2 2.79Å; E776-R779 WeakPolarHBondContact OE2-CD 3.4Å; E776-R779 IonicContact OE2-CZ 2.77Å; E776-R779 IonicContact OE2-NE 3.36Å; E776-R779 PolarHBondContact OE2-NE 2.76Å; E776-S780 PolarHBondContact O-N 2.92Å
777	G	80.3	Confident	87	Confident	11 Å²	11	22.1 Å²	22.1	11%	0.113	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-44	172.1	0	0	0	0	0	113	S742 Y775 Y781	S742-G777 PolarHBondContact OG-N 3.03Å; Y775-G777 PolarHBondContact O-N 2.8Å; G777-Y781 VanDerWaalsContact O-CB 3.22Å; G777-Y781 WeakPolarHBondContact O-CB 3.49Å; G777-Y781 PolarHBondContact O-N 3.24Å
778	Q	86.9	Confident	86.3	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70.2	-36.1	174.1	-172.2	74.6	-26.1	0	0	111.8	Y743 L744 N745 T773 Y775 E776 Y781 L782 S819 V821	Y743-Q778 PolarHBondContact O-N 3.33Å; Y743-Q778 VanDerWaalsContact O-N 3.11Å; L744-Q778 HydrophobicContact CB-CB 4.23Å; N745-Q778 PolarHBondContact O-NE2 3.33Å; N745-Q778 VanDerWaalsContact O-NE2 3.1Å; N745-Q778 PolarHBondContact O-OE1 3.46Å; T773-Q778 HydrophobicContact CG2-CB 4.09Å; T773-Q778 HydrophobicContact CG2-CG 4.09Å; T773-Q778 WeakPolarHBondContact OG1-CB 3.2Å; T773-Q778 VanDerWaalsContact OG1-CG 3.29Å; T773-Q778 WeakPolarHBondContact OG1-CG 3.45Å; Y775-Q778 WeakPolarHBondContact O-CB 3.43Å; Y775-Q778 PolarHBondContact O-N 2.77Å; E776-Q778 VanDerWaalsContact C-N 3.34Å; E776-Q778 PolarHBondContact O-N 2.8Å; Q778-Y781 PolarHBondContact O-N 3.18Å; Q778-L782 HydrophobicContact CG-CD1 3.92Å; Q778-L782 HydrophobicContact CG-CG 4.26Å; Q778-L782 VanDerWaalsContact O-CB 3.3Å; Q778-L782 WeakPolarHBondContact O-CB 3.44Å; Q778-L782 VanDerWaalsContact O-CG 3.25Å; Q778-L782 WeakPolarHBondContact O-CG 3.44Å; Q778-L782 PolarHBondContact O-N 3.11Å; Q778-S819 PolarHBondContact NE2-OG 3.15Å; Q778-V821 HydrophobicContact CB-CG2 3.6Å; Q778-V821 HydrophobicContact CG-CG2 3.52Å
779	R	85.8	Confident	85.7	Confident	25 Å²	25	26 Å²	26	9%	0.094	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-54.1	177.7	-167.6	-161.6	68.3	84.2	2.1	110.7	T773 Y775 E776 Y781 L782 V783 I802	T773-R779 VanDerWaalsContact CG2-CA 3.47Å; T773-R779 HydrophobicContact CG2-CB 3.74Å; T773-R779 HydrophobicContact CG2-CG 4.36Å; Y775-R779 PolarHBondContact O-N 2.8Å; E776-R779 VanDerWaalsContact CD-NE 3.25Å; E776-R779 WeakPolarHBondContact O-CB 3.01Å; E776-R779 PolarHBondContact O-N 3.36Å; E776-R779 VanDerWaalsContact O-N 3.15Å; E776-R779 IonicContact OE1-CZ 3.31Å; E776-R779 IonicContact OE1-NE 2.82Å; E776-R779 PolarHBondContact OE1-NE 2.98Å; E776-R779 IonicContact OE1-NH2 2.64Å; E776-R779 PolarHBondContact OE1-NH2 2.79Å; E776-R779 WeakPolarHBondContact OE2-CD 3.4Å; E776-R779 IonicContact OE2-CZ 2.77Å; E776-R779 IonicContact OE2-NE 3.36Å; E776-R779 PolarHBondContact OE2-NE 2.76Å; R779-Y781 PolarHBondContact O-N 3.07Å; R779-L782 PolarHBondContact O-N 3.1Å; R779-V783 PolarHBondContact O-N 3.09Å; R779-V783 VanDerWaalsContact O-N 3.15Å; R779-I802 WeakPolarHBondContact CD-O 3.16Å; R779-I802 HydrophobicContact CG-CB 4.48Å; R779-I802 HydrophobicContact CG-CG2 3.92Å; R779-I802 WeakPolarHBondContact CG-O 3.45Å
780	S	80.2	Confident	84.9	Confident	13 Å²	13	27.1 Å²	27.1	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-37.5	179.6	-169.2	0	0	0	0	111.8	K327 E776 Q784	K327-S780 PolarHBondContact NZ-OG 2.87Å; E776-S780 PolarHBondContact O-N 2.92Å; S780-Q784 WeakPolarHBondContact O-CB 3.44Å; S780-Q784 PolarHBondContact O-N 3.06Å; S780-Q784 VanDerWaalsContact O-N 3.11Å
781	Y	84.3	Confident	84.3	Confident	23 Å²	23	30.9 Å²	30.9	9%	0.09	17%	0.167	C	C	.	.	H	α-helix	trans	-67	-36.4	175.3	-174.4	-111.7	0	0	0	113	R188 Q189 L744 R746 A749 G777 Q778 R779 Y785	R188-Y781 VanDerWaalsContact NH2-CE2 3.33Å; R188-Y781 VanDerWaalsContact NH2-CZ 3.31Å; Q189-Y781 HydrophobicContact CG-CE2 4.39Å; L744-Y781 HydrophobicContact CD2-CG 4.23Å; R746-Y781 HydrophobicContact CB-CE1 4.49Å; R746-Y781 HydrophobicContact CG-CE1 4.08Å; A749-Y781 HydrophobicContact CB-CD1 3.79Å; A749-Y781 HydrophobicContact CB-CE1 3.69Å; G777-Y781 VanDerWaalsContact O-CB 3.22Å; G777-Y781 WeakPolarHBondContact O-CB 3.49Å; G777-Y781 PolarHBondContact O-N 3.24Å; Q778-Y781 PolarHBondContact O-N 3.18Å; R779-Y781 PolarHBondContact O-N 3.07Å; Y781-Y785 WeakPolarHBondContact O-CB 3.25Å; Y781-Y785 PolarHBondContact O-N 3.25Å
782	L	88.8	Confident	83.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-47.7	175.4	-81.2	166.5	0	0	0	112.2	A749 V752 I771 T773 Q778 R779 Q784 Y785 M786 I802	A749-L782 HydrophobicContact CB-CD2 3.8Å; A749-L782 HydrophobicContact CB-CG 4.4Å; V752-L782 HydrophobicContact CB-CD2 3.93Å; V752-L782 HydrophobicContact CG1-CD2 3.75Å; I771-L782 HydrophobicContact CG2-CD1 3.96Å; T773-L782 HydrophobicContact CG2-CD1 3.89Å; Q778-L782 HydrophobicContact CG-CD1 3.92Å; Q778-L782 HydrophobicContact CG-CG 4.26Å; Q778-L782 VanDerWaalsContact O-CB 3.3Å; Q778-L782 WeakPolarHBondContact O-CB 3.44Å; Q778-L782 VanDerWaalsContact O-CG 3.25Å; Q778-L782 WeakPolarHBondContact O-CG 3.44Å; Q778-L782 PolarHBondContact O-N 3.11Å; R779-L782 PolarHBondContact O-N 3.1Å; L782-Q784 VanDerWaalsContact C-N 3.33Å; L782-Q784 PolarHBondContact O-N 2.86Å; L782-Y785 PolarHBondContact O-N 3.12Å; L782-M786 HydrophobicContact CD2-CE 4.11Å; L782-M786 WeakPolarHBondContact O-CG 3.45Å; L782-M786 PolarHBondContact O-N 2.91Å; L782-I802 HydrophobicContact CB-CD1 4.05Å; L782-I802 HydrophobicContact CB-CG2 4.22Å; L782-I802 HydrophobicContact CD1-CG2 4.15Å
783	V	83.5	Confident	83.5	Confident	11 Å²	11	39.3 Å²	39.3	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-56.2	-50.5	176.2	173	0	0	0	0	109.9	R779 Q787 I802	R779-V783 PolarHBondContact O-N 3.09Å; R779-V783 VanDerWaalsContact O-N 3.15Å; V783-Q787 VanDerWaalsContact O-CG 3.28Å; V783-Q787 WeakPolarHBondContact O-CG 3.4Å; V783-Q787 PolarHBondContact O-N 3.26Å; V783-Q787 VanDerWaalsContact O-N 3.14Å; V783-I802 HydrophobicContact CG2-CB 4.19Å; V783-I802 HydrophobicContact CG2-CD1 3.95Å; V783-I802 HydrophobicContact CG2-CG1 4.33Å
784	Q	80.4	Confident	83.1	Confident	44 Å²	44	42 Å²	42	21%	0.206	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-45.2	179	-171.5	170.4	-0.7	0	0	112.2	S780 L782 Q787 F788	S780-Q784 WeakPolarHBondContact O-CB 3.44Å; S780-Q784 PolarHBondContact O-N 3.06Å; S780-Q784 VanDerWaalsContact O-N 3.11Å; L782-Q784 VanDerWaalsContact C-N 3.33Å; L782-Q784 PolarHBondContact O-N 2.86Å; Q784-Q787 PolarHBondContact O-N 3.14Å; Q784-F788 HydrophobicContact CG-CD2 3.82Å; Q784-F788 HydrophobicContact CG-CE2 3.91Å; Q784-F788 VanDerWaalsContact O-CD2 3.27Å; Q784-F788 WeakPolarHBondContact O-CD2 3.31Å; Q784-F788 PolarHBondContact O-N 2.99Å
785	Y	86.1	Confident	83.2	Confident	48 Å²	48	47.1 Å²	47.1	19%	0.188	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-41.8	-178.4	-175.8	-95.9	0	0	0	112.5	S750 E753 Y781 L782 Q787 F788 S789	S750-Y785 WeakPolarHBondContact CB-OH 3.49Å; S750-Y785 PolarHBondContact OG-OH 2.56Å; E753-Y785 HydrophobicContact CB-CD1 4.1Å; E753-Y785 HydrophobicContact CB-CE1 3.85Å; E753-Y785 HydrophobicContact CG-CE1 4.27Å; Y781-Y785 WeakPolarHBondContact O-CB 3.25Å; Y781-Y785 PolarHBondContact O-N 3.25Å; L782-Y785 PolarHBondContact O-N 3.12Å; Y785-Q787 VanDerWaalsContact C-N 3.33Å; Y785-Q787 PolarHBondContact O-N 3.18Å; Y785-F788 PolarHBondContact O-N 3.06Å; Y785-S789 WeakPolarHBondContact O-CA 3.39Å; Y785-S789 VanDerWaalsContact O-CB 3.3Å; Y785-S789 WeakPolarHBondContact O-CB 3.41Å; Y785-S789 PolarHBondContact O-N 3.09Å
786	M	86.9	Confident	83.6	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-69.4	-30.9	177.1	-66.2	-166.3	-170.9	0	0	112.8	V752 E753 I771 L782 G790 Y797 I802	V752-M786 HydrophobicContact CG1-CE 3.73Å; E753-M786 HydrophobicContact CB-CE 4.29Å; E753-M786 HydrophobicContact CB-CG 4.24Å; E753-M786 HydrophobicContact CG-CG 4.23Å; I771-M786 HydrophobicContact CD1-CE 3.43Å; I771-M786 VanDerWaalsContact CD1-CE 3.43Å; I771-M786 HydrophobicContact CD1-SD 4.12Å; L782-M786 HydrophobicContact CD2-CE 4.11Å; L782-M786 WeakPolarHBondContact O-CG 3.45Å; L782-M786 PolarHBondContact O-N 2.91Å; M786-G790 WeakPolarHBondContact O-CA 3.34Å; M786-G790 PolarHBondContact O-N 2.98Å; M786-Y797 HydrophobicContact CB-CD1 4.05Å; M786-Y797 HydrophobicContact CB-CG 3.91Å; M786-Y797 HydrophobicContact CG-CD1 4.28Å; M786-Y797 HydrophobicContact SD-CD1 3.76Å; M786-Y797 HydrophobicContact SD-CE1 4.48Å; M786-Y797 HydrophobicContact SD-CG 4.42Å; M786-I802 HydrophobicContact SD-CD1 4.29Å
787	Q	81.6	Confident	84.1	Confident	50 Å²	50	46 Å²	46	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-40.2	175.9	-74.3	175.8	-1	0	0	113.1	N365 V783 Q784 Y785 T794	N365-Q787 PolarHBondContact O-NE2 2.77Å; V783-Q787 VanDerWaalsContact O-CG 3.28Å; V783-Q787 WeakPolarHBondContact O-CG 3.4Å; V783-Q787 PolarHBondContact O-N 3.26Å; V783-Q787 VanDerWaalsContact O-N 3.14Å; Q784-Q787 PolarHBondContact O-N 3.14Å; Y785-Q787 VanDerWaalsContact C-N 3.33Å; Y785-Q787 PolarHBondContact O-N 3.18Å; Q787-T794 HydrophobicContact CB-CG2 4.18Å; Q787-T794 HydrophobicContact CG-CG2 4.04Å
788	F	78.2	Confident	84.2	Confident	143 Å²	143	47.1 Å²	47.1	63%	0.627	24%	0.243	S	C	*	.	H	α-helix	trans	-96.4	-23.3	-175.6	-70.7	-67.1	0	0	0	115.3	Q784 Y785	Q784-F788 HydrophobicContact CG-CD2 3.82Å; Q784-F788 HydrophobicContact CG-CE2 3.91Å; Q784-F788 VanDerWaalsContact O-CD2 3.27Å; Q784-F788 WeakPolarHBondContact O-CD2 3.31Å; Q784-F788 PolarHBondContact O-N 2.99Å; Y785-F788 PolarHBondContact O-N 3.06Å
789	S	80.8	Confident	84.2	Confident	64 Å²	64	51.4 Å²	51.4	45%	0.448	26%	0.263	S	S	.	.	H	α-helix	trans	-126.7	5	-173.9	-54.2	0	0	0	0	113.9	Y785	Y785-S789 WeakPolarHBondContact O-CA 3.39Å; Y785-S789 VanDerWaalsContact O-CB 3.3Å; Y785-S789 WeakPolarHBondContact O-CB 3.41Å; Y785-S789 PolarHBondContact O-N 3.09Å
790	G	81	Confident	84.4	Confident	23 Å²	23	50.2 Å²	50.2	24%	0.237	26%	0.259	C	S	.	.			trans	-66.7	138.9	178	0	0	0	0	0	112.6	M786 L792	M786-G790 WeakPolarHBondContact O-CA 3.34Å; M786-G790 PolarHBondContact O-N 2.98Å; G790-L792 PolarHBondContact O-N 3.3Å
791	S	82.6	Confident	84.8	Confident	79 Å²	79	51.5 Å²	51.5	55%	0.552	26%	0.263	S	S	*	.	S	Bend	trans	-76	-4.6	-178.9	-53.5	0	0	0	0	115.2	E753 Y797	E753-S791 PolarHBondContact OE1-N 3.34Å; E753-S791 VanDerWaalsContact OE1-N 3.16Å; E753-S791 PolarHBondContact OE1-OG 3.45Å; S791-Y797 PolarHBondContact N-OH 2.72Å
792	L	87.1	Confident	84.9	Confident	50 Å²	50	50.8 Å²	50.8	26%	0.262	26%	0.261	S	S	.	.	S	Bend	trans	-125	173.4	-176.2	-62.7	173.3	0	0	0	110.8	T757 L760 G790 T794 L796 Y797	T757-L792 HydrophobicContact CG2-CD1 4.29Å; T757-L792 HydrophobicContact CG2-CG 4.33Å; L760-L792 HydrophobicContact CB-CD1 3.79Å; L760-L792 HydrophobicContact CD1-CD1 3.83Å; L760-L792 HydrophobicContact CG-CD1 4.49Å; G790-L792 PolarHBondContact O-N 3.3Å; L792-T794 PolarHBondContact O-N 2.74Å; L792-L796 HydrophobicContact CB-CD1 4.24Å; L792-Y797 HydrophobicContact CB-CE2 3.89Å; L792-Y797 WeakPolarHBondContact CB-OH 3.34Å; L792-Y797 PolarHBondContact N-OH 3.05Å; L792-Y797 WeakPolarHBondContact O-CE2 3.5Å
793	H	84.2	Confident	84.7	Confident	127 Å²	127	51.5 Å²	51.5	59%	0.588	27%	0.267	S	S	*	.			trans	-61.7	125.1	180	-178.4	-90.1	0	0	0	112.3	K795 L796	H793-K795 VanDerWaalsContact C-N 3.29Å; H793-K795 PolarHBondContact O-N 3.19Å; H793-L796 WeakPolarHBondContact O-CB 3.31Å; H793-L796 PolarHBondContact O-N 2.88Å
794	T	84.3	Confident	84.6	Confident	56 Å²	56	52 Å²	52	34%	0.344	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	-41.5	-167.9	-52.3	0	0	0	0	115.3	Q787 L792 L796 Y797 Q798	Q787-T794 HydrophobicContact CB-CG2 4.18Å; Q787-T794 HydrophobicContact CG-CG2 4.04Å; L792-T794 PolarHBondContact O-N 2.74Å; T794-L796 PolarHBondContact O-N 3.39Å; T794-L796 VanDerWaalsContact O-N 3.16Å; T794-Y797 PolarHBondContact O-N 2.88Å; T794-Q798 HydrophobicContact CG2-CG 4.37Å; T794-Q798 PolarHBondContact O-N 3.21Å
795	K	85.3	Confident	84.6	Confident	129 Å²	129	50.2 Å²	50.2	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-54.1	-34.9	178.5	-69.5	-176.7	-176	177.9	0	113.5	H793 Y797 Q798 E799	H793-K795 VanDerWaalsContact C-N 3.29Å; H793-K795 PolarHBondContact O-N 3.19Å; K795-Y797 VanDerWaalsContact C-N 3.26Å; K795-Y797 PolarHBondContact O-N 3.01Å; K795-Q798 WeakPolarHBondContact O-CB 3.23Å; K795-Q798 PolarHBondContact O-N 2.75Å; K795-Q798 VanDerWaalsContact O-N 3.09Å; K795-E799 PolarHBondContact O-N 3.11Å; K795-E799 VanDerWaalsContact O-N 3.11Å
796	L	89.5	Confident	84.1	Confident	61 Å²	61	49.1 Å²	49.1	32%	0.319	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-31.7	178.7	-64.4	173.1	0	0	0	112.4	L760 P766 L792 H793 T794 V800	L760-L796 HydrophobicContact CD1-CB 4.38Å; P766-L796 WeakPolarHBondContact CB-O 3.33Å; P766-L796 HydrophobicContact CG-CB 4.29Å; P766-L796 HydrophobicContact CG-CD2 3.85Å; P766-L796 WeakPolarHBondContact CG-O 3.24Å; L792-L796 HydrophobicContact CB-CD1 4.24Å; H793-L796 WeakPolarHBondContact O-CB 3.31Å; H793-L796 PolarHBondContact O-N 2.88Å; T794-L796 PolarHBondContact O-N 3.39Å; T794-L796 VanDerWaalsContact O-N 3.16Å; L796-V800 WeakPolarHBondContact O-CG2 3.24Å
797	Y	88.5	Confident	83.5	Confident	6 Å²	6	50.6 Å²	50.6	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-81.5	-29.4	173.6	-57	-73.9	0	0	0	112.2	E753 T756 T757 L760 M786 S791 L792 T794 K795 E799 V800	E753-Y797 PolarHBondContact OE1-OH 3.49Å; T756-Y797 HydrophobicContact CG2-CD1 4.16Å; T756-Y797 HydrophobicContact CG2-CE1 4.28Å; T757-Y797 PolarHBondContact OG1-OH 2.82Å; L760-Y797 HydrophobicContact CD1-CE1 4.29Å; M786-Y797 HydrophobicContact CB-CD1 4.05Å; M786-Y797 HydrophobicContact CB-CG 3.91Å; M786-Y797 HydrophobicContact CG-CD1 4.28Å; M786-Y797 HydrophobicContact SD-CD1 3.76Å; M786-Y797 HydrophobicContact SD-CE1 4.48Å; M786-Y797 HydrophobicContact SD-CG 4.42Å; S791-Y797 PolarHBondContact N-OH 2.72Å; L792-Y797 HydrophobicContact CB-CE2 3.89Å; L792-Y797 WeakPolarHBondContact CB-OH 3.34Å; L792-Y797 PolarHBondContact N-OH 3.05Å; L792-Y797 WeakPolarHBondContact O-CE2 3.5Å; T794-Y797 PolarHBondContact O-N 2.88Å; K795-Y797 VanDerWaalsContact C-N 3.26Å; K795-Y797 PolarHBondContact O-N 3.01Å; Y797-E799 VanDerWaalsContact C-N 3.27Å; Y797-E799 PolarHBondContact O-N 3.1Å; Y797-V800 PolarHBondContact O-N 2.73Å
798	Q	82.6	Confident	83.2	Confident	35 Å²	35	48.2 Å²	48.2	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-64.8	-33.2	175.8	-61.3	-179.8	-52.7	0	0	111.7	N365 Y366 T794 K795 V800	N365-Q798 WeakPolarHBondContact CB-O 3.31Å; N365-Q798 PolarHBondContact ND2-O 2.98Å; Y366-Q798 HydrophobicContact CD1-CB 3.68Å; Y366-Q798 HydrophobicContact CD1-CG 4.27Å; Y366-Q798 HydrophobicContact CE1-CB 3.57Å; Y366-Q798 HydrophobicContact CG-CB 4.41Å; T794-Q798 HydrophobicContact CG2-CG 4.37Å; T794-Q798 PolarHBondContact O-N 3.21Å; K795-Q798 WeakPolarHBondContact O-CB 3.23Å; K795-Q798 PolarHBondContact O-N 2.75Å; K795-Q798 VanDerWaalsContact O-N 3.09Å; Q798-V800 VanDerWaalsContact C-N 3.34Å
799	E	87.8	Confident	83	Confident	91 Å²	91	42.2 Å²	42.2	43%	0.425	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-14.8	175	-68.9	168.9	-149.5	0	0	114	P766 K795 Y797 E801	P766-E799 HydrophobicContact CB-CB 3.33Å; P766-E799 HydrophobicContact CB-CG 4.49Å; P766-E799 HydrophobicContact CG-CB 4.15Å; K795-E799 PolarHBondContact O-N 3.11Å; K795-E799 VanDerWaalsContact O-N 3.11Å; Y797-E799 VanDerWaalsContact C-N 3.27Å; Y797-E799 PolarHBondContact O-N 3.1Å; E799-E801 PolarHBondContact O-N 3.35Å
800	V	89.4	Confident	82.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-81.6	110	177.6	174.1	0	0	0	0	110.7	N365 T756 P766 I769 I771 L796 Y797 Q798 I802	N365-V800 VanDerWaalsContact ND2-C 3.33Å; N365-V800 PolarHBondContact ND2-O 3.22Å; T756-V800 HydrophobicContact CG2-CG1 4.35Å; T756-V800 HydrophobicContact CG2-CG2 4.08Å; P766-V800 HydrophobicContact CB-CG2 3.94Å; I769-V800 HydrophobicContact CB-CG1 4.02Å; I769-V800 HydrophobicContact CB-CG2 4.27Å; I769-V800 HydrophobicContact CD1-CG2 4.46Å; I769-V800 HydrophobicContact CG2-CG1 3.72Å; I771-V800 HydrophobicContact CD1-CG1 3.74Å; I771-V800 HydrophobicContact CG1-CG1 3.85Å; L796-V800 WeakPolarHBondContact O-CG2 3.24Å; Y797-V800 PolarHBondContact O-N 2.73Å; Q798-V800 VanDerWaalsContact C-N 3.34Å; V800-I802 VanDerWaalsContact O-CG1 3.29Å; V800-I802 WeakPolarHBondContact O-CG1 3.39Å; V800-I802 PolarHBondContact O-N 2.65Å
801	E	87.7	Confident	82.4	Confident	40 Å²	40	42.4 Å²	42.4	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	113.8	-173.9	-170.6	175.4	168.8	0	0	113.1	I771 E799 F808 R811 K813	I771-E801 PolarHBondContact N-O 2.9Å; E799-E801 PolarHBondContact O-N 3.35Å; E801-F808 HydrophobicContact CB-CZ 4.09Å; E801-F808 HydrophobicContact CG-CE1 4.17Å; E801-F808 HydrophobicContact CG-CE2 4.45Å; E801-F808 HydrophobicContact CG-CZ 3.72Å; E801-R811 VanDerWaalsContact OE1-CD 3.31Å; E801-R811 WeakPolarHBondContact OE1-CD 3.49Å; E801-R811 IonicContact OE1-CZ 3.56Å; E801-R811 IonicContact OE1-NE 3.47Å; E801-R811 IonicContact OE1-NH1 3.88Å; E801-R811 PolarHBondContact OE1-NH1 2.92Å; E801-K813 WeakPolarHBondContact OE2-CE 3.31Å; E801-K813 IonicContact OE2-NZ 2.83Å; E801-K813 PolarHBondContact OE2-NZ 2.93Å
802	I	87.3	Confident	82.7	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.041	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.2	178.3	-42.2	-165.9	0	0	0	110.3	I771 R779 L782 V783 M786 V800	I771-I802 HydrophobicContact CB-CB 4.4Å; I771-I802 HydrophobicContact CB-CG1 4.19Å; I771-I802 HydrophobicContact CB-CG2 4.08Å; I771-I802 HydrophobicContact CD1-CD1 3.98Å; I771-I802 HydrophobicContact CD1-CG1 4.13Å; I771-I802 HydrophobicContact CG2-CG2 4.09Å; I771-I802 WeakPolarHBondContact O-CA 2.97Å; R779-I802 WeakPolarHBondContact CD-O 3.16Å; R779-I802 HydrophobicContact CG-CB 4.48Å; R779-I802 HydrophobicContact CG-CG2 3.92Å; R779-I802 WeakPolarHBondContact CG-O 3.45Å; L782-I802 HydrophobicContact CB-CD1 4.05Å; L782-I802 HydrophobicContact CB-CG2 4.22Å; L782-I802 HydrophobicContact CD1-CG2 4.15Å; V783-I802 HydrophobicContact CG2-CB 4.19Å; V783-I802 HydrophobicContact CG2-CD1 3.95Å; V783-I802 HydrophobicContact CG2-CG1 4.33Å; M786-I802 HydrophobicContact SD-CD1 4.29Å; V800-I802 VanDerWaalsContact O-CG1 3.29Å; V800-I802 WeakPolarHBondContact O-CG1 3.39Å; V800-I802 PolarHBondContact O-N 2.65Å
803	A	83	Confident	83	Confident	15 Å²	15	41.2 Å²	41.2	12%	0.124	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	175.2	-175	0	0	0	0	0	114	I771 I772 T773 A807 F808	I771-A803 PolarHBondContact O-N 3.42Å; I772-A803 WeakPolarHBondContact CA-O 3.17Å; T773-A803 PolarHBondContact N-O 3.49Å; A803-A807 HydrophobicContact CB-CB 3.87Å; A803-F808 HydrophobicContact CB-CD2 3.92Å; A803-F808 HydrophobicContact CB-CE2 3.71Å
804	S	81.9	Confident	83.6	Confident	22 Å²	22	35.6 Å²	35.6	15%	0.154	18%	0.183	C	C	.	.			trans	-79.2	161.4	176.9	70.3	0	0	0	0	113.1	T773 D806 A807 F808	T773-S804 WeakPolarHBondContact O-CA 3.32Å; S804-D806 PolarHBondContact O-N 3.1Å; S804-A807 PolarHBondContact O-N 3.36Å; S804-A807 VanDerWaalsContact O-N 3.08Å; S804-F808 PolarHBondContact O-N 3.09Å
805	V	80.3	Confident	84.2	Confident	6 Å²	6	33.1 Å²	33.1	4%	0.036	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-41.3	177.6	-178.4	0	0	0	0	111.8	L645 I772 P774 F808 Q809 R837 V840 A841	L645-V805 HydrophobicContact CD1-CG1 4.32Å; I772-V805 HydrophobicContact CG2-CB 4.39Å; I772-V805 HydrophobicContact CG2-CG2 3.6Å; P774-V805 HydrophobicContact CB-CG2 4.19Å; V805-F808 PolarHBondContact O-N 3.2Å; V805-Q809 PolarHBondContact O-N 3.11Å; V805-R837 HydrophobicContact CG1-CB 4.33Å; V805-R837 WeakPolarHBondContact CG1-O 3.2Å; V805-V840 HydrophobicContact CG1-CB 3.89Å; V805-V840 HydrophobicContact CG1-CG1 3.74Å; V805-A841 HydrophobicContact CG1-CB 4.38Å; V805-A841 HydrophobicContact CG2-CB 4.27Å
806	D	76.2	Confident	84.8	Confident	24 Å²	24	27 Å²	27	13%	0.128	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-42.7	-180	-52.1	-64.5	0	0	0	111.6	R334 L645 S804 F808 Q809 R837	R334-D806 IonicContact CZ-OD2 3.66Å; R334-D806 VanDerWaalsContact NH1-CB 3.34Å; R334-D806 IonicContact NH1-OD2 2.79Å; R334-D806 PolarHBondContact NH1-OD2 2.89Å; R334-D806 IonicContact NH2-OD2 3.61Å; R334-D806 PolarHBondContact NH2-OD2 3.42Å; L645-D806 HydrophobicContact CD1-CB 4.32Å; L645-D806 WeakPolarHBondContact CD1-OD1 3.48Å; L645-D806 WeakPolarHBondContact CD2-OD1 3.5Å; S804-D806 PolarHBondContact O-N 3.1Å; D806-F808 VanDerWaalsContact C-N 3.27Å; D806-F808 PolarHBondContact O-N 2.83Å; D806-Q809 PolarHBondContact O-N 3.18Å; D806-R837 IonicContact OD1-CZ 3.59Å; D806-R837 IonicContact OD1-NH1 2.75Å; D806-R837 PolarHBondContact OD1-NH1 3.47Å; D806-R837 IonicContact OD1-NH2 3.52Å; D806-R837 PolarHBondContact OD1-NH2 2.81Å; D806-R837 IonicContact OD2-CZ 2.85Å; D806-R837 IonicContact OD2-NH1 2.7Å; D806-R837 PolarHBondContact OD2-NH1 3.17Å; D806-R837 IonicContact OD2-NH2 3.21Å
807	A	73.4	Confident	85.3	Confident	34 Å²	34	24.1 Å²	24.1	28%	0.281	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.8	179.5	0	0	0	0	0	111.9	A803 S804 Q809 R811	A803-A807 HydrophobicContact CB-CB 3.87Å; S804-A807 PolarHBondContact O-N 3.36Å; S804-A807 VanDerWaalsContact O-N 3.08Å; A807-Q809 VanDerWaalsContact C-N 3.33Å; A807-Q809 PolarHBondContact O-N 2.94Å; A807-R811 PolarHBondContact O-NE 2.99Å; A807-R811 PolarHBondContact O-NH2 3.08Å
808	F	75.4	Confident	85.7	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.7	178.5	-90.3	-76.9	0	0	0	114.9	I772 E801 A803 S804 V805 D806 R811 K813 R844	I772-F808 HydrophobicContact CD1-CB 4.38Å; I772-F808 HydrophobicContact CD1-CD2 4.37Å; I772-F808 HydrophobicContact CD1-CG 4.3Å; I772-F808 HydrophobicContact CG1-CD2 3.7Å; I772-F808 HydrophobicContact CG1-CE2 3.91Å; I772-F808 HydrophobicContact CG1-CG 4.09Å; I772-F808 HydrophobicContact CG1-CZ 4.5Å; E801-F808 HydrophobicContact CB-CZ 4.09Å; E801-F808 HydrophobicContact CG-CE1 4.17Å; E801-F808 HydrophobicContact CG-CE2 4.45Å; E801-F808 HydrophobicContact CG-CZ 3.72Å; A803-F808 HydrophobicContact CB-CD2 3.92Å; A803-F808 HydrophobicContact CB-CE2 3.71Å; S804-F808 PolarHBondContact O-N 3.09Å; V805-F808 PolarHBondContact O-N 3.2Å; D806-F808 VanDerWaalsContact C-N 3.27Å; D806-F808 PolarHBondContact O-N 2.83Å; F808-R811 HydrophobicContact CD1-CB 4.39Å; F808-R811 WeakPolarHBondContact O-CB 3.2Å; F808-R811 PolarHBondContact O-N 3.43Å; F808-K813 HydrophobicContact CE1-CG 4.16Å; F808-R844 HydrophobicContact CB-CG 4.24Å; F808-R844 VanDerWaalsContact O-CD 3.25Å; F808-R844 WeakPolarHBondContact O-CD 3.29Å
809	Q	73.8	Confident	86.3	Confident	16 Å²	16	22.4 Å²	22.4	8%	0.075	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	149.1	173.8	-165.3	169.1	2.8	0	0	111	E616 Q619 V805 D806 A807 R811	E616-Q809 PolarHBondContact OE2-NE2 2.88Å; Q619-Q809 VanDerWaalsContact CG-NE2 3.31Å; V805-Q809 PolarHBondContact O-N 3.11Å; D806-Q809 PolarHBondContact O-N 3.18Å; A807-Q809 VanDerWaalsContact C-N 3.33Å; A807-Q809 PolarHBondContact O-N 2.94Å; Q809-R811 PolarHBondContact O-N 2.87Å
810	G	68	Low	86.5	Confident	16 Å²	16	18 Å²	18	17%	0.165	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-25.5	-169.8	0	0	0	0	0	115.6	Q508	Q508-G810 PolarHBondContact NE2-O 3.24Å; Q508-G810 PolarHBondContact OE1-O 3.44Å
811	R	81.5	Confident	86.6	Confident	75 Å²	75	18 Å²	18	28%	0.283	10%	0.098	S	C	.	.			trans	-82.5	168.6	-179.5	-50.4	-175.6	-146	-149.9	-0.7	113	R682 E801 A807 F808 Q809 R844	R682-R811 PolarHBondContact NH1-O 3.35Å; R682-R811 PolarHBondContact NH2-O 2.99Å; E801-R811 VanDerWaalsContact OE1-CD 3.31Å; E801-R811 WeakPolarHBondContact OE1-CD 3.49Å; E801-R811 IonicContact OE1-CZ 3.56Å; E801-R811 IonicContact OE1-NE 3.47Å; E801-R811 IonicContact OE1-NH1 3.88Å; E801-R811 PolarHBondContact OE1-NH1 2.92Å; A807-R811 PolarHBondContact O-NE 2.99Å; A807-R811 PolarHBondContact O-NH2 3.08Å; F808-R811 HydrophobicContact CD1-CB 4.39Å; F808-R811 WeakPolarHBondContact O-CB 3.2Å; F808-R811 PolarHBondContact O-N 3.43Å; Q809-R811 PolarHBondContact O-N 2.87Å; R811-R844 PolarHBondContact O-NH1 2.76Å
812	E	89.3	Confident	86.6	Confident	82 Å²	82	16.4 Å²	16.4	38%	0.383	9%	0.09	S	C	.	.			trans	-146.9	159.2	164.9	57.5	-172.7	-109.1	0	0	111.4	R682 R844 R846	R682-E812 IonicContact CZ-OE2 3.2Å; R682-E812 IonicContact NE-OE2 2.7Å; R682-E812 PolarHBondContact NE-OE2 3.31Å; R682-E812 IonicContact NH2-OE2 3.94Å; R682-E812 PolarHBondContact NH2-OE2 2.81Å; E812-R844 CarbonylContact C-O 3.54Å; E812-R844 VanDerWaalsContact CA-O 3.23Å; E812-R844 WeakPolarHBondContact CA-O 3.16Å; E812-R844 WeakPolarHBondContact CB-O 3.27Å; E812-R846 VanDerWaalsContact OE1-CD 3.23Å; E812-R846 WeakPolarHBondContact OE1-CD 3.35Å; E812-R846 IonicContact OE1-NE 2.66Å; E812-R846 PolarHBondContact OE1-NE 2.97Å
813	K	94.1	Very high	86.3	Confident	22 Å²	22	16.8 Å²	16.8	10%	0.096	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	165.8	177	-70.2	-73.7	-179	158.2	0	109.6	D767 I769 E801 F808 I816 R844 A845 R846	D767-K813 VanDerWaalsContact O-CD 3.26Å; D767-K813 WeakPolarHBondContact O-CD 3.49Å; D767-K813 PolarHBondContact O-NZ 3.04Å; I769-K813 WeakPolarHBondContact O-CD 3.46Å; I769-K813 PolarHBondContact O-NZ 3.01Å; E801-K813 WeakPolarHBondContact OE2-CE 3.31Å; E801-K813 IonicContact OE2-NZ 2.83Å; E801-K813 PolarHBondContact OE2-NZ 2.93Å; F808-K813 HydrophobicContact CE1-CG 4.16Å; K813-I816 HydrophobicContact CB-CD1 3.76Å; K813-I816 HydrophobicContact CB-CG1 4.29Å; K813-I816 HydrophobicContact CG-CD1 3.97Å; K813-R844 PolarHBondContact N-O 2.93Å; K813-A845 CarbonylContact O-C 3.53Å; K813-A845 WeakPolarHBondContact O-CA 3.32Å; K813-R846 WeakPolarHBondContact O-CG 3.48Å; K813-R846 PolarHBondContact O-N 3.26Å
814	D	96.4	Very high	86.1	Confident	9 Å²	9	16.9 Å²	16.9	5%	0.048	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-45.8	172.8	-73.8	-3	0	0	0	110.8	K711 Q768 R846 Y847 G848	K711-D814 IonicContact NZ-OD2 3.48Å; K711-D814 PolarHBondContact NZ-OD2 2.82Å; Q768-D814 HydrophobicContact CB-CB 4.04Å; Q768-D814 PolarHBondContact O-N 3.33Å; D814-R846 PolarHBondContact O-N 2.99Å; D814-R846 WeakPolarHBondContact OD1-CD 3.46Å; D814-R846 IonicContact OD1-CZ 2.69Å; D814-R846 IonicContact OD1-NE 2.68Å; D814-R846 IonicContact OD1-NH1 3.25Å; D814-R846 PolarHBondContact OD1-NH1 3.17Å; D814-Y847 HydrophobicContact CB-CD2 3.57Å; D814-Y847 HydrophobicContact CB-CE2 4.19Å; D814-Y847 HydrophobicContact CB-CG 4.46Å; D814-Y847 VanDerWaalsContact CG-CD2 3.42Å; D814-Y847 VanDerWaalsContact CG-CE2 3.49Å; D814-Y847 WeakPolarHBondContact O-CA 3.35Å; D814-Y847 PolarHBondContact O-N 2.84Å; D814-Y847 WeakPolarHBondContact OD1-CE2 3.2Å; D814-G848 PolarHBondContact O-N 3Å; D814-G848 VanDerWaalsContact O-N 3.13Å
815	F	97.8	Very high	85.1	Confident	4 Å²	4	22.9 Å²	22.9	2%	0.018	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.2	178.9	-54.6	-73.2	0	0	0	111.2	K711 F714 W718 L759 A764 Q768 G770 G848	K711-F815 HydrophobicContact CB-CZ 4.4Å; K711-F815 HydrophobicContact CG-CZ 4.4Å; F714-F815 HydrophobicContact CD1-CE1 4.44Å; F714-F815 AromaticContact CD1-CZ 3.95Å; F714-F815 HydrophobicContact CD1-CZ 3.95Å; F714-F815 HydrophobicContact CD2-CE2 4.4Å; F714-F815 HydrophobicContact CD2-CZ 4.13Å; F714-F815 AromaticContact CE1-CE1 3.59Å; F714-F815 HydrophobicContact CE1-CE1 3.59Å; F714-F815 HydrophobicContact CE1-CE2 4.44Å; F714-F815 AromaticContact CE1-CZ 3.43Å; F714-F815 HydrophobicContact CE1-CZ 3.43Å; F714-F815 VanDerWaalsContact CE1-CZ 3.43Å; F714-F815 HydrophobicContact CE2-CE1 4.37Å; F714-F815 AromaticContact CE2-CE2 3.89Å; F714-F815 HydrophobicContact CE2-CE2 3.89Å; F714-F815 AromaticContact CE2-CZ 3.66Å; F714-F815 HydrophobicContact CE2-CZ 3.66Å; F714-F815 HydrophobicContact CG-CZ 4.26Å; F714-F815 HydrophobicContact CZ-CD1 4.36Å; F714-F815 AromaticContact CZ-CE1 3.55Å; F714-F815 HydrophobicContact CZ-CE1 3.55Å; F714-F815 AromaticContact CZ-CE2 3.9Å; F714-F815 HydrophobicContact CZ-CE2 3.9Å; F714-F815 AromaticContact CZ-CZ 3.27Å; F714-F815 HydrophobicContact CZ-CZ 3.27Å; W718-F815 HydrophobicContact CZ2-CD1 4.39Å; W718-F815 HydrophobicContact CZ2-CE1 4.19Å; L759-F815 HydrophobicContact CD1-CB 4.14Å; L759-F815 HydrophobicContact CD2-CD1 4.34Å; L759-F815 HydrophobicContact CD2-CG 4.3Å; A764-F815 HydrophobicContact CB-CD2 3.89Å; A764-F815 HydrophobicContact CB-CE2 3.73Å; Q768-F815 PolarHBondContact O-N 2.77Å; G770-F815 PolarHBondContact N-O 3.17Å; F815-G848 WeakPolarHBondContact CA-O 3.31Å
816	I	97.9	Very high	83.9	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.7	175.3	-67.5	-69.7	0	0	0	110.1	G770 I772 K813 R844 A845 G848 V849 I850	G770-I816 WeakPolarHBondContact O-CA 3.47Å; I772-I816 HydrophobicContact CD1-CD1 4.19Å; I772-I816 HydrophobicContact CD1-CG2 3.71Å; I772-I816 HydrophobicContact CG1-CD1 4.34Å; I772-I816 HydrophobicContact CG1-CG2 3.97Å; K813-I816 HydrophobicContact CB-CD1 3.76Å; K813-I816 HydrophobicContact CB-CG1 4.29Å; K813-I816 HydrophobicContact CG-CD1 3.97Å; I816-R844 HydrophobicContact CD1-CB 3.78Å; I816-R844 HydrophobicContact CG1-CB 3.81Å; I816-A845 HydrophobicContact CB-CB 4.04Å; I816-A845 HydrophobicContact CG1-CB 3.76Å; I816-G848 PolarHBondContact N-O 2.87Å; I816-V849 WeakPolarHBondContact O-CA 3.4Å; I816-I850 PolarHBondContact O-N 2.67Å
817	I	98.3	Very high	83	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.2	168.1	-48.6	170.6	0	0	0	108.1	V752 I755 T756 L759 I769 G770 I771 I772 I850 V852	V752-I817 HydrophobicContact CG1-CD1 4.49Å; V752-I817 HydrophobicContact CG1-CG2 4.1Å; V752-I817 HydrophobicContact CG2-CG2 3.96Å; I755-I817 HydrophobicContact CB-CD1 4.13Å; I755-I817 HydrophobicContact CG2-CD1 3.58Å; I755-I817 HydrophobicContact CG2-CG1 3.98Å; T756-I817 VanDerWaalsContact OG1-CD1 3.22Å; T756-I817 WeakPolarHBondContact OG1-CD1 3.43Å; L759-I817 HydrophobicContact CD1-CD1 4.1Å; L759-I817 HydrophobicContact CD1-CG1 4.31Å; I769-I817 HydrophobicContact CG2-CD1 4.47Å; G770-I817 PolarHBondContact O-N 3.39Å; I771-I817 CarbonylContact C-O 3.57Å; I771-I817 WeakPolarHBondContact CA-O 3.43Å; I771-I817 HydrophobicContact CG1-CB 4.41Å; I771-I817 HydrophobicContact CG1-CD1 4.26Å; I772-I817 PolarHBondContact N-O 3.3Å; I817-I850 CarbonylContact C-O 3.53Å; I817-I850 VanDerWaalsContact CA-O 3.3Å; I817-I850 WeakPolarHBondContact CA-O 3.36Å; I817-V852 HydrophobicContact CG2-CG2 4.07Å
818	L	96.8	Very high	82.4	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.4	178	175.6	60.1	0	0	0	109.9	I772 A841 I850 I851 V852 W864	I772-L818 HydrophobicContact CB-CD1 4.1Å; I772-L818 HydrophobicContact CG2-CD1 3.88Å; I772-L818 WeakPolarHBondContact O-CA 3.28Å; L818-A841 HydrophobicContact CD1-CB 4.36Å; L818-A841 HydrophobicContact CD2-CB 4.24Å; L818-I850 PolarHBondContact N-O 2.96Å; L818-I851 HydrophobicContact CB-CG1 4.48Å; L818-I851 HydrophobicContact CB-CG2 4.43Å; L818-I851 HydrophobicContact CD2-CG1 4.43Å; L818-I851 HydrophobicContact CD2-CG2 4.18Å; L818-I851 HydrophobicContact CG-CG2 4.36Å; L818-V852 PolarHBondContact O-N 3.29Å; L818-W864 HydrophobicContact CD2-CH2 4.26Å
819	S	95.7	Very high	81.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.3	171.6	173.7	0	0	0	0	109.8	E748 I772 P774 Q778	E748-S819 WeakPolarHBondContact OE2-CB 3.34Å; E748-S819 PolarHBondContact OE2-OG 3.18Å; I772-S819 PolarHBondContact O-N 3.17Å; P774-S819 VanDerWaalsContact CD-O 3.26Å; P774-S819 WeakPolarHBondContact CD-O 3.46Å; Q778-S819 PolarHBondContact NE2-OG 3.15Å
820	C	92.9	Very high	81.7	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.			trans	-83.3	-26.3	-177.4	-67.8	0	0	0	0	113.5	E748 R822 L832 V852 L858	E748-C820 PolarHBondContact OE2-N 2.78Å; C820-R822 PolarHBondContact O-N 2.75Å; C820-L832 WeakPolarHBondContact O-CD1 3.4Å; C820-V852 PolarHBondContact N-O 3.05Å; C820-L858 HydrophobicContact CB-CD1 4Å; C820-L858 HydrophobicContact CB-CD2 4.3Å
821	V	91.4	Very high	81.4	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.			trans	66.1	-46.5	-179.3	178.7	0	0	0	0	115.7	N745 E748 Y775 Q778	N745-V821 HydrophobicContact CB-CG1 4.32Å; N745-V821 PolarHBondContact ND2-O 3.12Å; N745-V821 VanDerWaalsContact ND2-O 3.12Å; E748-V821 VanDerWaalsContact OE1-CA 3.24Å; E748-V821 WeakPolarHBondContact OE1-CA 3.45Å; E748-V821 PolarHBondContact OE1-N 3.2Å; E748-V821 PolarHBondContact OE2-N 2.95Å; Y775-V821 HydrophobicContact CD2-CB 3.65Å; Y775-V821 HydrophobicContact CD2-CG1 3.87Å; Y775-V821 HydrophobicContact CD2-CG2 3.88Å; Y775-V821 HydrophobicContact CE2-CB 4.08Å; Y775-V821 HydrophobicContact CE2-CG1 4.29Å; Y775-V821 HydrophobicContact CG-CG1 4.41Å; Q778-V821 HydrophobicContact CB-CG2 3.6Å; Q778-V821 HydrophobicContact CG-CG2 3.52Å
822	R	87.9	Confident	81	Confident	5 Å²	5	33 Å²	33	2%	0.019	18%	0.179	C	C	.	.			trans	-78.6	132.5	-165.4	-57.3	-57.7	-64.8	-62.8	4.5	112.9	E734 Y775 C820 N824 G828 L832 A857	E734-R822 IonicContact OE1-CZ 3.98Å; E734-R822 VanDerWaalsContact OE1-CZ 3.23Å; E734-R822 IonicContact OE1-NE 3.89Å; E734-R822 PolarHBondContact OE1-NE 3.24Å; E734-R822 IonicContact OE1-NH2 3.06Å; E734-R822 PolarHBondContact OE1-NH2 3.18Å; E734-R822 VanDerWaalsContact OE2-CA 3.27Å; E734-R822 WeakPolarHBondContact OE2-CA 3.43Å; E734-R822 IonicContact OE2-CZ 3.52Å; E734-R822 IonicContact OE2-NE 3.83Å; E734-R822 PolarHBondContact OE2-NE 3.17Å; E734-R822 IonicContact OE2-NH2 2.72Å; Y775-R822 HydrophobicContact CE2-CG 3.63Å; Y775-R822 VanDerWaalsContact CZ-CD 3.5Å; Y775-R822 VanDerWaalsContact OH-CD 3.25Å; Y775-R822 WeakPolarHBondContact OH-CD 3.38Å; Y775-R822 WeakPolarHBondContact OH-CG 3.41Å; Y775-R822 PolarHBondContact OH-NH1 2.9Å; Y775-R822 VanDerWaalsContact OH-NH1 3.15Å; C820-R822 PolarHBondContact O-N 2.75Å; R822-N824 PolarHBondContact NH2-ND2 2.92Å; R822-G828 PolarHBondContact NH1-O 3.16Å; R822-L832 HydrophobicContact CB-CD1 4.36Å; R822-L832 HydrophobicContact CG-CD1 4.03Å; R822-A857 WeakPolarHBondContact O-CB 3.19Å
823	A	81	Confident	80.5	Confident	16 Å²	16	32.6 Å²	32.6	13%	0.132	18%	0.18	C	C	.	.			trans	-155.4	45.4	-165.3	0	0	0	0	0	112.4	G732 E734 N854	G732-A823 WeakPolarHBondContact O-CB 3.25Å; E734-A823 PolarHBondContact OE2-N 3.13Å; A823-N854 HydrophobicContact CB-CB 3.86Å; A823-N854 WeakPolarHBondContact CB-ND2 3.44Å
824	N	77.9	Confident	79.9	Confident	18 Å²	18	33.1 Å²	33.1	10%	0.096	18%	0.184	C	C	.	.			trans	-115.6	162.5	-177.7	66.8	76.9	0	0	0	113.3	E734 R822 Q827 K860	E734-N824 PolarHBondContact OE1-ND2 2.94Å; E734-N824 PolarHBondContact OE2-N 3.42Å; E734-N824 PolarHBondContact OE2-ND2 3.31Å; R822-N824 PolarHBondContact NH2-ND2 2.92Å; N824-Q827 WeakPolarHBondContact OD1-CA 3.44Å; N824-Q827 WeakPolarHBondContact OD1-CB 3.37Å; N824-Q827 PolarHBondContact OD1-N 3.13Å; N824-Q827 PolarHBondContact OD1-O 2.81Å; N824-Q827 VanDerWaalsContact OD1-O 3.11Å; N824-K860 PolarHBondContact O-NZ 3.23Å
825	E	60.3	Low	79.5	Confident	147 Å²	147	35 Å²	35	69%	0.687	20%	0.197	S	C	*	.	S	Bend	trans	-93.2	-30.2	-176.5	-57.9	-148.6	133.8	0	0	114.3	K860	E825-K860 PolarHBondContact O-NZ 3.01Å
826	H	56.3	Low	79	Confident	177 Å²	177	38.3 Å²	38.3	82%	0.819	21%	0.209	S	C	*	.	S	Bend	trans	-115.8	-0.2	-169.7	-59.9	-71.1	0	0	0	116.8
827	Q	57.1	Low	78.4	Confident	47 Å²	47	40.5 Å²	40.5	22%	0.22	22%	0.217	C	C	.	.	S	Bend	trans	-122.8	159.7	-169.9	-57	177.4	5.2	0	0	114	S130 R214 N824	S130-Q827 PolarHBondContact O-NE2 3.09Å; R214-Q827 VanDerWaalsContact CZ-CD 3.49Å; N824-Q827 WeakPolarHBondContact OD1-CA 3.44Å; N824-Q827 WeakPolarHBondContact OD1-CB 3.37Å; N824-Q827 PolarHBondContact OD1-N 3.13Å; N824-Q827 PolarHBondContact OD1-O 2.81Å; N824-Q827 VanDerWaalsContact OD1-O 3.11Å
828	G	60.3	Low	78.1	Confident	51 Å²	51	40.8 Å²	40.8	53%	0.526	22%	0.219	S	C	.	.			trans	-72.6	148.7	174	0	0	0	0	0	112.9	R822 G830	R822-G828 PolarHBondContact NH1-O 3.16Å; G828-G830 PolarHBondContact O-N 3.11Å
829	I	66.4	Low	77.9	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.217	C	C	.	.			trans	-73.3	10.7	-174.9	60.5	173.9	0	0	0	114.9	Y775 L832 N833 L858 Q861 W864	Y775-I829 PolarHBondContact OH-O 3.11Å; I829-L832 HydrophobicContact CB-CB 3.92Å; I829-L832 HydrophobicContact CB-CD1 3.97Å; I829-L832 HydrophobicContact CD1-CB 3.59Å; I829-L832 HydrophobicContact CG1-CB 3.7Å; I829-L832 WeakPolarHBondContact O-CB 3.17Å; I829-L832 PolarHBondContact O-N 3.11Å; I829-N833 VanDerWaalsContact CG1-OD1 3.24Å; I829-N833 WeakPolarHBondContact CG1-OD1 3.48Å; I829-L858 HydrophobicContact CD1-CD2 4.45Å; I829-L858 HydrophobicContact CG2-CD2 4.43Å; I829-Q861 HydrophobicContact CD1-CB 3.61Å; I829-Q861 HydrophobicContact CD1-CG 3.88Å; I829-Q861 HydrophobicContact CG1-CB 4.38Å; I829-W864 VanDerWaalsContact CD1-CD1 3.49Å; I829-W864 HydrophobicContact CD1-CG 4.29Å
830	G	67.8	Low	77.7	Confident	34 Å²	34	40.6 Å²	40.6	35%	0.351	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	73.5	-136.7	175.5	0	0	0	0	0	112.8	G828 L832 N833	G828-G830 PolarHBondContact O-N 3.11Å; G830-L832 PolarHBondContact O-N 3.18Å; G830-N833 WeakPolarHBondContact O-CB 3.3Å; G830-N833 PolarHBondContact O-N 2.65Å; G830-N833 PolarHBondContact O-ND2 3.48Å
831	F	63.5	Low	77.6	Confident	58 Å²	58	40.7 Å²	40.7	25%	0.254	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-65.2	-15.7	176.8	64.5	-95.2	0	0	0	112.3	P774 Y775 N833 D834	P774-F831 HydrophobicContact CB-CD2 3.88Å; P774-F831 HydrophobicContact CB-CE1 3.98Å; P774-F831 HydrophobicContact CB-CE2 3.15Å; P774-F831 HydrophobicContact CB-CZ 3.28Å; P774-F831 HydrophobicContact CG-CD2 4.39Å; P774-F831 HydrophobicContact CG-CE1 4.15Å; P774-F831 HydrophobicContact CG-CE2 3.25Å; P774-F831 HydrophobicContact CG-CZ 3.14Å; Y775-F831 AromaticContact CD1-CE1 3.9Å; Y775-F831 HydrophobicContact CD1-CE1 3.9Å; Y775-F831 AromaticContact CD2-CE1 3.78Å; Y775-F831 HydrophobicContact CD2-CE1 3.78Å; Y775-F831 AromaticContact CD2-CZ 3.72Å; Y775-F831 HydrophobicContact CD2-CZ 3.72Å; Y775-F831 HydrophobicContact CE1-CD1 4.4Å; Y775-F831 AromaticContact CE1-CE1 3.54Å; Y775-F831 HydrophobicContact CE1-CE1 3.54Å; Y775-F831 HydrophobicContact CE1-CZ 4.33Å; Y775-F831 AromaticContact CE2-CE1 3.4Å; Y775-F831 HydrophobicContact CE2-CE1 3.4Å; Y775-F831 VanDerWaalsContact CE2-CE1 3.4Å; Y775-F831 AromaticContact CE2-CZ 3.31Å; Y775-F831 HydrophobicContact CE2-CZ 3.31Å; Y775-F831 HydrophobicContact CG-CE1 4.01Å; Y775-F831 HydrophobicContact CG-CZ 4.37Å; Y775-F831 AromaticContact CZ-CE1 3.26Å; Y775-F831 AromaticContact CZ-CZ 3.65Å; F831-N833 PolarHBondContact O-N 3.27Å; F831-D834 PolarHBondContact O-N 2.89Å
832	L	72.1	Confident	77.8	Confident	12 Å²	12	41.1 Å²	41.1	6%	0.063	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.6	-12.4	176.5	-69.9	168.6	0	0	0	112.2	P774 C820 R822 I829 G830 D834 L858 W864	P774-L832 HydrophobicContact CG-CD2 4.29Å; C820-L832 WeakPolarHBondContact O-CD1 3.4Å; R822-L832 HydrophobicContact CB-CD1 4.36Å; R822-L832 HydrophobicContact CG-CD1 4.03Å; I829-L832 HydrophobicContact CB-CB 3.92Å; I829-L832 HydrophobicContact CB-CD1 3.97Å; I829-L832 HydrophobicContact CD1-CB 3.59Å; I829-L832 HydrophobicContact CG1-CB 3.7Å; I829-L832 WeakPolarHBondContact O-CB 3.17Å; I829-L832 PolarHBondContact O-N 3.11Å; G830-L832 PolarHBondContact O-N 3.18Å; L832-D834 VanDerWaalsContact C-N 3.35Å; L832-L858 HydrophobicContact CD1-CD2 3.91Å; L832-W864 HydrophobicContact CD2-CZ2 3.74Å; L832-W864 PolarHBondContact O-NE1 2.86Å
833	N	78.8	Confident	78.1	Confident	74 Å²	74	40.9 Å²	40.9	40%	0.396	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-67.8	-25.6	172	-72.8	-40.1	0	0	0	114.1	I829 G830 F831 P835 Q861	I829-N833 VanDerWaalsContact CG1-OD1 3.24Å; I829-N833 WeakPolarHBondContact CG1-OD1 3.48Å; G830-N833 WeakPolarHBondContact O-CB 3.3Å; G830-N833 PolarHBondContact O-N 2.65Å; G830-N833 PolarHBondContact O-ND2 3.48Å; F831-N833 PolarHBondContact O-N 3.27Å; N833-P835 VanDerWaalsContact O-CD 3.28Å; N833-P835 WeakPolarHBondContact O-CD 3.5Å; N833-Q861 PolarHBondContact O-NE2 3.19Å; N833-Q861 WeakPolarHBondContact OD1-CG 3.46Å
834	D	81.1	Confident	78.8	Confident	33 Å²	33	40.3 Å²	40.3	18%	0.176	21%	0.214	C	C	.	.			trans	-74.1	115.3	-177.5	-171.7	-26.2	0	0	0	110.6	F831 L832 R836 R837 L838	F831-D834 PolarHBondContact O-N 2.89Å; L832-D834 VanDerWaalsContact C-N 3.35Å; D834-R836 PolarHBondContact O-N 2.83Å; D834-R836 VanDerWaalsContact OD1-CB 3.23Å; D834-R836 WeakPolarHBondContact OD1-CB 3.44Å; D834-R836 WeakPolarHBondContact OD1-CG 3.11Å; D834-R836 IonicContact OD1-CZ 3.75Å; D834-R836 PolarHBondContact OD1-N 3.15Å; D834-R836 IonicContact OD1-NE 2.9Å; D834-R836 PolarHBondContact OD1-NE 3.49Å; D834-R836 IonicContact OD1-NH2 3.72Å; D834-R836 IonicContact OD2-CZ 3.58Å; D834-R836 IonicContact OD2-NE 2.66Å; D834-R836 PolarHBondContact OD2-NE 2.88Å; D834-R836 IonicContact OD2-NH2 3.23Å; D834-R836 PolarHBondContact OD2-NH2 2.91Å; D834-R837 HydrophobicContact CB-CB 4.25Å; D834-R837 HydrophobicContact CB-CG 4.01Å; D834-R837 PolarHBondContact O-N 2.93Å; D834-L838 PolarHBondContact O-N 3.45Å
835	P	88	Confident	79.6	Confident	49 Å²	49	39.5 Å²	39.5	32%	0.318	21%	0.21	S	C	.	.	H	α-helix	trans	-56.9	-34.4	179.9	-25.8	36.8	0	0	0	113.4	F695 N833 R837 L838 N839 L863	F695-P835 HydrophobicContact CE1-CB 4.01Å; N833-P835 VanDerWaalsContact O-CD 3.28Å; N833-P835 WeakPolarHBondContact O-CD 3.5Å; P835-R837 VanDerWaalsContact C-N 3.34Å; P835-R837 PolarHBondContact O-N 3.21Å; P835-L838 PolarHBondContact O-N 2.83Å; P835-N839 PolarHBondContact O-N 3.39Å; P835-L863 HydrophobicContact CB-CD2 3.71Å; P835-L863 HydrophobicContact CG-CD2 4.22Å
836	R	87.6	Confident	81.4	Confident	73 Å²	73	36 Å²	36	28%	0.275	19%	0.191	S	C	.	.	H	α-helix	trans	-70.1	-33.1	-175.6	-56.6	169.9	-59.5	172.6	6.2	111.4	H642 C643 Q644 E665 D834 N839 V840	H642-R836 WeakPolarHBondContact O-CD 3.31Å; C643-R836 WeakPolarHBondContact O-CA 3.43Å; Q644-R836 WeakPolarHBondContact O-CB 3.33Å; Q644-R836 WeakPolarHBondContact O-CD 3.25Å; E665-R836 IonicContact OE1-NH1 3.72Å; D834-R836 PolarHBondContact O-N 2.83Å; D834-R836 VanDerWaalsContact OD1-CB 3.23Å; D834-R836 WeakPolarHBondContact OD1-CB 3.44Å; D834-R836 WeakPolarHBondContact OD1-CG 3.11Å; D834-R836 IonicContact OD1-CZ 3.75Å; D834-R836 PolarHBondContact OD1-N 3.15Å; D834-R836 IonicContact OD1-NE 2.9Å; D834-R836 PolarHBondContact OD1-NE 3.49Å; D834-R836 IonicContact OD1-NH2 3.72Å; D834-R836 IonicContact OD2-CZ 3.58Å; D834-R836 IonicContact OD2-NE 2.66Å; D834-R836 PolarHBondContact OD2-NE 2.88Å; D834-R836 IonicContact OD2-NH2 3.23Å; D834-R836 PolarHBondContact OD2-NH2 2.91Å; R836-N839 PolarHBondContact O-N 3.35Å; R836-V840 WeakPolarHBondContact O-CG2 3.43Å; R836-V840 PolarHBondContact O-N 3.49Å
837	R	86.4	Confident	83.3	Confident	47 Å²	47	29.3 Å²	29.3	18%	0.177	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-44.6	172.9	-74	177.5	-178.2	-80.4	-25.7	111.3	L645 V805 D806 D834 P835 V840 A841	L645-R837 HydrophobicContact CD2-CG 3.63Å; L645-R837 HydrophobicContact CG-CG 4.5Å; V805-R837 HydrophobicContact CG1-CB 4.33Å; V805-R837 WeakPolarHBondContact CG1-O 3.2Å; D806-R837 IonicContact OD1-CZ 3.59Å; D806-R837 IonicContact OD1-NH1 2.75Å; D806-R837 PolarHBondContact OD1-NH1 3.47Å; D806-R837 IonicContact OD1-NH2 3.52Å; D806-R837 PolarHBondContact OD1-NH2 2.81Å; D806-R837 IonicContact OD2-CZ 2.85Å; D806-R837 IonicContact OD2-NH1 2.7Å; D806-R837 PolarHBondContact OD2-NH1 3.17Å; D806-R837 IonicContact OD2-NH2 3.21Å; D834-R837 HydrophobicContact CB-CB 4.25Å; D834-R837 HydrophobicContact CB-CG 4.01Å; D834-R837 PolarHBondContact O-N 2.93Å; P835-R837 VanDerWaalsContact C-N 3.34Å; P835-R837 PolarHBondContact O-N 3.21Å; R837-V840 PolarHBondContact O-N 3.23Å; R837-A841 WeakPolarHBondContact O-CB 3.37Å; R837-A841 PolarHBondContact O-N 2.89Å
838	L	90.8	Very high	85.2	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-43	176.8	-177.2	59.1	0	0	0	111.5	D834 P835 V840 A841 L842 L863 W864 L867	D834-L838 PolarHBondContact O-N 3.45Å; P835-L838 PolarHBondContact O-N 2.83Å; L838-V840 PolarHBondContact O-N 3.38Å; L838-A841 PolarHBondContact O-N 3.04Å; L838-L842 HydrophobicContact CD1-CD1 3.93Å; L838-L842 HydrophobicContact CD1-CD2 4.28Å; L838-L842 HydrophobicContact CD1-CG 3.84Å; L838-L842 HydrophobicContact CD2-CD1 4.47Å; L838-L842 HydrophobicContact CG-CD1 3.85Å; L838-L842 HydrophobicContact CG-CG 4.2Å; L838-L842 WeakPolarHBondContact O-CG 3.37Å; L838-L842 PolarHBondContact O-N 3.4Å; L838-L863 HydrophobicContact CB-CD2 4.41Å; L838-L863 HydrophobicContact CD2-CD2 3.8Å; L838-L863 HydrophobicContact CD2-CG 3.79Å; L838-W864 HydrophobicContact CD1-CH2 3.72Å; L838-W864 HydrophobicContact CD1-CZ2 3.64Å; L838-W864 HydrophobicContact CD1-CZ3 4.4Å; L838-W864 HydrophobicContact CD2-CD2 4.38Å; L838-W864 HydrophobicContact CD2-CZ2 4.32Å; L838-W864 HydrophobicContact CG-CZ2 4.47Å; L838-L867 HydrophobicContact CD1-CD2 4.3Å; L838-L867 HydrophobicContact CD2-CD2 4.3Å
839	N	92.9	Very high	87	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.6	-48.9	175	-172.5	11.2	0	0	0	112.1	C643 F695 Y696 P835 R836 A841 T843	C643-N839 PolarHBondContact O-ND2 3.03Å; F695-N839 HydrophobicContact CD1-CB 4.26Å; F695-N839 HydrophobicContact CD2-CB 3.59Å; F695-N839 WeakPolarHBondContact CD2-OD1 3.29Å; F695-N839 HydrophobicContact CE1-CB 4.16Å; F695-N839 HydrophobicContact CE2-CB 3.49Å; F695-N839 VanDerWaalsContact CE2-CB 3.49Å; F695-N839 HydrophobicContact CG-CB 4Å; F695-N839 HydrophobicContact CZ-CB 3.78Å; Y696-N839 PolarHBondContact OH-ND2 3.12Å; P835-N839 PolarHBondContact O-N 3.39Å; R836-N839 PolarHBondContact O-N 3.35Å; N839-A841 PolarHBondContact O-N 3.06Å; N839-T843 WeakPolarHBondContact O-CB 3.45Å; N839-T843 VanDerWaalsContact O-CG2 3.26Å; N839-T843 WeakPolarHBondContact O-CG2 3.41Å; N839-T843 PolarHBondContact O-N 2.77Å; N839-T843 PolarHBondContact O-OG1 3.4Å
840	V	91.2	Very high	88.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-50.5	175.1	171.2	0	0	0	0	110.7	Q644 L645 V805 R836 R837 L838 L842 T843 R844	Q644-V840 HydrophobicContact CB-CG2 3.76Å; Q644-V840 HydrophobicContact CG-CG2 3.75Å; L645-V840 HydrophobicContact CD1-CG1 4.46Å; L645-V840 HydrophobicContact CD1-CG2 4.24Å; L645-V840 HydrophobicContact CG-CG2 4.13Å; V805-V840 HydrophobicContact CG1-CB 3.89Å; V805-V840 HydrophobicContact CG1-CG1 3.74Å; R836-V840 WeakPolarHBondContact O-CG2 3.43Å; R836-V840 PolarHBondContact O-N 3.49Å; R837-V840 PolarHBondContact O-N 3.23Å; L838-V840 PolarHBondContact O-N 3.38Å; V840-L842 PolarHBondContact O-N 2.85Å; V840-T843 PolarHBondContact O-N 2.91Å; V840-T843 PolarHBondContact O-OG1 3.08Å; V840-R844 WeakPolarHBondContact O-CG 3.47Å; V840-R844 PolarHBondContact O-NE 2.78Å
841	A	91.9	Very high	90	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.025	11%	0.107	C	C	.	.	H	α-helix	trans	-59.8	-46.9	-176.6	0	0	0	0	0	113.4	I772 V805 L818 R837 L838 N839 T843	I772-A841 HydrophobicContact CD1-CB 4.42Å; V805-A841 HydrophobicContact CG1-CB 4.38Å; V805-A841 HydrophobicContact CG2-CB 4.27Å; L818-A841 HydrophobicContact CD1-CB 4.36Å; L818-A841 HydrophobicContact CD2-CB 4.24Å; R837-A841 WeakPolarHBondContact O-CB 3.37Å; R837-A841 PolarHBondContact O-N 2.89Å; L838-A841 PolarHBondContact O-N 3.04Å; N839-A841 PolarHBondContact O-N 3.06Å; A841-T843 PolarHBondContact O-N 2.72Å
842	L	94.9	Very high	91.6	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-64.9	-22.5	179.3	-67.5	175.7	0	0	0	113.1	F690 P691 L838 V840 I851 L867	F690-L842 HydrophobicContact CD1-CD1 3.84Å; F690-L842 HydrophobicContact CE1-CD1 4.01Å; P691-L842 HydrophobicContact CG-CB 4.15Å; P691-L842 HydrophobicContact CG-CD1 4.44Å; L838-L842 HydrophobicContact CD1-CD1 3.93Å; L838-L842 HydrophobicContact CD1-CD2 4.28Å; L838-L842 HydrophobicContact CD1-CG 3.84Å; L838-L842 HydrophobicContact CD2-CD1 4.47Å; L838-L842 HydrophobicContact CG-CD1 3.85Å; L838-L842 HydrophobicContact CG-CG 4.2Å; L838-L842 WeakPolarHBondContact O-CG 3.37Å; L838-L842 PolarHBondContact O-N 3.4Å; V840-L842 PolarHBondContact O-N 2.85Å; L842-I851 HydrophobicContact CD2-CD1 3.75Å; L842-L867 HydrophobicContact CD1-CD1 4.01Å; L842-L867 HydrophobicContact CD2-CD1 4.48Å
843	T	94.8	Very high	92.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	19.1	-169.7	61.2	0	0	0	0	114.6	P473 R682 M683 P691 N839 V840 A841	P473-T843 VanDerWaalsContact CB-CB 3.47Å; P473-T843 HydrophobicContact CB-CG2 4.01Å; P473-T843 HydrophobicContact CG-CG2 3.89Å; P473-T843 VanDerWaalsContact CG-OG1 3.29Å; P473-T843 WeakPolarHBondContact CG-OG1 3.41Å; R682-T843 VanDerWaalsContact CD-O 3.3Å; R682-T843 WeakPolarHBondContact CD-O 3.28Å; R682-T843 PolarHBondContact NH1-O 2.77Å; M683-T843 HydrophobicContact CE-CG2 4.08Å; M683-T843 HydrophobicContact SD-CG2 3.83Å; P691-T843 HydrophobicContact CB-CG2 3.77Å; P691-T843 HydrophobicContact CG-CG2 3.74Å; N839-T843 WeakPolarHBondContact O-CB 3.45Å; N839-T843 VanDerWaalsContact O-CG2 3.26Å; N839-T843 WeakPolarHBondContact O-CG2 3.41Å; N839-T843 PolarHBondContact O-N 2.77Å; N839-T843 PolarHBondContact O-OG1 3.4Å; V840-T843 PolarHBondContact O-N 2.91Å; V840-T843 PolarHBondContact O-OG1 3.08Å; A841-T843 PolarHBondContact O-N 2.72Å
844	R	93.9	Very high	93.4	Very high	4 Å²	4	17 Å²	17	2%	0.015	8%	0.077	C	C	.	.	S	Bend	trans	-88.7	-23.5	174.8	-62.5	-46.5	88.2	175.1	11.4	114.3	I772 F808 R811 E812 K813 I816 V840	I772-R844 HydrophobicContact CD1-CB 4.15Å; I772-R844 HydrophobicContact CD1-CG 3.76Å; F808-R844 HydrophobicContact CB-CG 4.24Å; F808-R844 VanDerWaalsContact O-CD 3.25Å; F808-R844 WeakPolarHBondContact O-CD 3.29Å; R811-R844 PolarHBondContact O-NH1 2.76Å; E812-R844 CarbonylContact C-O 3.54Å; E812-R844 VanDerWaalsContact CA-O 3.23Å; E812-R844 WeakPolarHBondContact CA-O 3.16Å; E812-R844 WeakPolarHBondContact CB-O 3.27Å; K813-R844 PolarHBondContact N-O 2.93Å; I816-R844 HydrophobicContact CD1-CB 3.78Å; I816-R844 HydrophobicContact CG1-CB 3.81Å; V840-R844 WeakPolarHBondContact O-CG 3.47Å; V840-R844 PolarHBondContact O-NE 2.78Å
845	A	96.5	Very high	93.9	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	154.5	-177.5	0	0	0	0	0	113.1	M683 L687 K813 I816 G848 V849	M683-A845 WeakPolarHBondContact CG-O 3.15Å; L687-A845 HydrophobicContact CD1-CB 4.41Å; K813-A845 CarbonylContact O-C 3.53Å; K813-A845 WeakPolarHBondContact O-CA 3.32Å; I816-A845 HydrophobicContact CB-CB 4.04Å; I816-A845 HydrophobicContact CG1-CB 3.76Å; A845-G848 VanDerWaalsContact CB-O 3.22Å; A845-G848 WeakPolarHBondContact CB-O 3.41Å; A845-V849 HydrophobicContact CB-CG2 3.45Å; A845-V849 VanDerWaalsContact CB-CG2 3.45Å
846	R	96.3	Very high	94	Very high	73 Å²	73	18.4 Å²	18.4	28%	0.275	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-49	169.7	-61.1	162.5	78.5	-145.6	10.2	111.1	R682 M683 H684 R709 E812 K813 D814	R682-R846 HydrophobicContact CG-CG 3.94Å; R682-R846 WeakPolarHBondContact O-CA 3.25Å; R682-R846 WeakPolarHBondContact O-CB 3.49Å; M683-R846 CarbonylContact C-O 3.54Å; H684-R846 PolarHBondContact N-O 3.21Å; R709-R846 WeakPolarHBondContact CD-O 3.22Å; E812-R846 VanDerWaalsContact OE1-CD 3.23Å; E812-R846 WeakPolarHBondContact OE1-CD 3.35Å; E812-R846 IonicContact OE1-NE 2.66Å; E812-R846 PolarHBondContact OE1-NE 2.97Å; K813-R846 WeakPolarHBondContact O-CG 3.48Å; K813-R846 PolarHBondContact O-N 3.26Å; D814-R846 PolarHBondContact O-N 2.99Å; D814-R846 WeakPolarHBondContact OD1-CD 3.46Å; D814-R846 IonicContact OD1-CZ 2.69Å; D814-R846 IonicContact OD1-NE 2.68Å; D814-R846 IonicContact OD1-NH1 3.25Å; D814-R846 PolarHBondContact OD1-NH1 3.17Å
847	Y	97	Very high	94	Very high	36 Å²	36	15 Å²	15	14%	0.141	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-41.8	-173.5	-66.1	-95.5	0	0	0	112.8	R709 K711 P724 D814	R709-Y847 VanDerWaalsContact O-CD1 3.25Å; R709-Y847 WeakPolarHBondContact O-CD1 3.41Å; K711-Y847 HydrophobicContact CB-CD1 3.82Å; K711-Y847 HydrophobicContact CB-CE1 4.07Å; K711-Y847 HydrophobicContact CB-CG 4.44Å; K711-Y847 HydrophobicContact CD-CD1 4.41Å; K711-Y847 HydrophobicContact CD-CE1 4.21Å; K711-Y847 HydrophobicContact CD-CE2 4.37Å; P724-Y847 WeakPolarHBondContact CB-O 3.41Å; P724-Y847 WeakPolarHBondContact CG-O 3.41Å; D814-Y847 HydrophobicContact CB-CD2 3.57Å; D814-Y847 HydrophobicContact CB-CE2 4.19Å; D814-Y847 HydrophobicContact CB-CG 4.46Å; D814-Y847 VanDerWaalsContact CG-CD2 3.42Å; D814-Y847 VanDerWaalsContact CG-CE2 3.49Å; D814-Y847 WeakPolarHBondContact O-CA 3.35Å; D814-Y847 PolarHBondContact O-N 2.84Å; D814-Y847 WeakPolarHBondContact OD1-CE2 3.2Å
848	G	97.4	Very high	94.1	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	156.7	179.1	0	0	0	0	0	118.1	P724 D814 F815 I816 A845	P724-G848 CarbonylContact O-C 3.59Å; P724-G848 WeakPolarHBondContact O-CA 3.48Å; D814-G848 PolarHBondContact O-N 3Å; D814-G848 VanDerWaalsContact O-N 3.13Å; F815-G848 WeakPolarHBondContact CA-O 3.31Å; I816-G848 PolarHBondContact N-O 2.87Å; A845-G848 VanDerWaalsContact CB-O 3.22Å; A845-G848 WeakPolarHBondContact CB-O 3.41Å
849	V	98.3	Very high	94.1	Very high	3 Å²	3	12.8 Å²	12.8	2%	0.018	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.8	-175.6	177.8	0	0	0	0	111	L687 P724 M725 F726 I816 A845 I851	L687-V849 HydrophobicContact CD1-CG2 4.28Å; L687-V849 HydrophobicContact CD2-CB 4.1Å; L687-V849 HydrophobicContact CD2-CG2 3.91Å; P724-V849 PolarHBondContact O-N 3.19Å; P724-V849 VanDerWaalsContact O-N 3.07Å; M725-V849 WeakPolarHBondContact CA-O 3.37Å; M725-V849 WeakPolarHBondContact CB-O 3.36Å; F726-V849 PolarHBondContact N-O 3.25Å; I816-V849 WeakPolarHBondContact O-CA 3.4Å; A845-V849 HydrophobicContact CB-CG2 3.45Å; A845-V849 VanDerWaalsContact CB-CG2 3.45Å; V849-I851 HydrophobicContact CG1-CG1 4.07Å
850	I	98.5	Very high	93.7	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.015	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	118.8	177	-56	173.7	0	0	0	108.7	F716 W718 F726 I755 I816 I817 L818 V852	F716-I850 HydrophobicContact CZ-CD1 4.08Å; W718-I850 HydrophobicContact CH2-CD1 4.13Å; W718-I850 HydrophobicContact CH2-CG1 4.09Å; W718-I850 HydrophobicContact CZ3-CD1 4.05Å; W718-I850 HydrophobicContact CZ3-CG1 3.78Å; F726-I850 HydrophobicContact CD1-CG1 4.06Å; F726-I850 HydrophobicContact CD1-CG2 4.43Å; F726-I850 HydrophobicContact CD2-CG2 4.15Å; F726-I850 HydrophobicContact CE1-CB 4.4Å; F726-I850 HydrophobicContact CE1-CD1 3.6Å; F726-I850 HydrophobicContact CE1-CG1 3.59Å; F726-I850 HydrophobicContact CE1-CG2 3.98Å; F726-I850 HydrophobicContact CE2-CG2 3.69Å; F726-I850 HydrophobicContact CZ-CB 4.45Å; F726-I850 HydrophobicContact CZ-CD1 3.85Å; F726-I850 HydrophobicContact CZ-CG1 4.02Å; F726-I850 HydrophobicContact CZ-CG2 3.59Å; I755-I850 HydrophobicContact CD1-CG2 3.81Å; I755-I850 HydrophobicContact CG2-CB 4.48Å; I755-I850 HydrophobicContact CG2-CD1 3.48Å; I755-I850 VanDerWaalsContact CG2-CD1 3.48Å; I755-I850 HydrophobicContact CG2-CG2 4.29Å; I816-I850 PolarHBondContact O-N 2.67Å; I817-I850 CarbonylContact C-O 3.53Å; I817-I850 VanDerWaalsContact CA-O 3.3Å; I817-I850 WeakPolarHBondContact CA-O 3.36Å; L818-I850 PolarHBondContact N-O 2.96Å; I850-V852 HydrophobicContact CG2-CG2 4.45Å
851	I	98.1	Very high	93.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.4	179.5	-50.2	178.6	0	0	0	108.4	F726 F727 Y728 L818 L842 V849 W864 L867 Y871	F726-I851 PolarHBondContact O-N 2.86Å; F727-I851 CarbonylContact C-O 3.44Å; F727-I851 WeakPolarHBondContact CA-O 3.5Å; F727-I851 HydrophobicContact CD2-CB 3.74Å; F727-I851 HydrophobicContact CD2-CD1 4.33Å; F727-I851 HydrophobicContact CD2-CG2 3.57Å; F727-I851 HydrophobicContact CE2-CB 4.18Å; F727-I851 HydrophobicContact CE2-CG2 3.47Å; F727-I851 VanDerWaalsContact CE2-CG2 3.47Å; F727-I851 HydrophobicContact CG-CB 4.3Å; F727-I851 HydrophobicContact CG-CG2 4.47Å; F727-I851 HydrophobicContact CZ-CG2 4.29Å; Y728-I851 PolarHBondContact N-O 3.23Å; L818-I851 HydrophobicContact CB-CG1 4.48Å; L818-I851 HydrophobicContact CB-CG2 4.43Å; L818-I851 HydrophobicContact CD2-CG1 4.43Å; L818-I851 HydrophobicContact CD2-CG2 4.18Å; L818-I851 HydrophobicContact CG-CG2 4.36Å; L842-I851 HydrophobicContact CD2-CD1 3.75Å; V849-I851 HydrophobicContact CG1-CG1 4.07Å; I851-W864 HydrophobicContact CG2-CZ3 4.49Å; I851-L867 HydrophobicContact CD1-CD2 4.01Å; I851-Y871 HydrophobicContact CD1-CE1 4.27Å; I851-Y871 HydrophobicContact CD1-CE2 4.48Å
852	V	97.8	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.1	178.9	-170.7	0	0	0	0	107.8	Y728 T730 E748 N751 V752 I755 I817 L818 C820 I850	Y728-V852 HydrophobicContact CD1-CG1 4.31Å; Y728-V852 HydrophobicContact CD1-CG2 4.45Å; T730-V852 WeakPolarHBondContact OG1-CG1 3.44Å; E748-V852 HydrophobicContact CB-CG1 4.1Å; E748-V852 HydrophobicContact CG-CG1 4.02Å; N751-V852 HydrophobicContact CB-CG1 4.07Å; V752-V852 HydrophobicContact CG2-CB 4.18Å; V752-V852 HydrophobicContact CG2-CG1 4.4Å; V752-V852 HydrophobicContact CG2-CG2 3.92Å; I755-V852 HydrophobicContact CD1-CG2 3.49Å; I755-V852 VanDerWaalsContact CD1-CG2 3.49Å; I817-V852 HydrophobicContact CG2-CG2 4.07Å; L818-V852 PolarHBondContact O-N 3.29Å; C820-V852 PolarHBondContact N-O 3.05Å; I850-V852 HydrophobicContact CG2-CG2 4.45Å
853	G	94.9	Very high	93.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	176	-176.2	0	0	0	0	0	115.2	F727 Y728 T730 E748 P855	F727-G853 WeakPolarHBondContact CE1-O 3.27Å; Y728-G853 PolarHBondContact O-N 3.12Å; T730-G853 PolarHBondContact N-O 3.09Å; T730-G853 CarbonylContact O-C 3.45Å; E748-G853 WeakPolarHBondContact OE1-CA 3.39Å; G853-P855 WeakPolarHBondContact O-CD 3.39Å
854	N	93.1	Very high	93	Very high	15 Å²	15	22 Å²	22	8%	0.08	10%	0.104	C	C	.	.			trans	-99.7	106.6	176.4	-173.5	-22.8	0	0	0	111.2	T730 A823 K856 A857 L858	T730-N854 VanDerWaalsContact O-CA 3.31Å; T730-N854 WeakPolarHBondContact O-CA 3.44Å; T730-N854 VanDerWaalsContact O-CB 3.31Å; T730-N854 WeakPolarHBondContact O-CB 3.26Å; A823-N854 HydrophobicContact CB-CB 3.86Å; A823-N854 WeakPolarHBondContact CB-ND2 3.44Å; N854-K856 VanDerWaalsContact C-N 3.25Å; N854-K856 PolarHBondContact O-N 2.75Å; N854-K856 WeakPolarHBondContact OD1-CB 3.5Å; N854-K856 PolarHBondContact OD1-N 2.92Å; N854-A857 PolarHBondContact O-N 3.01Å; N854-L858 WeakPolarHBondContact O-CG 3.47Å; N854-L858 PolarHBondContact O-N 2.98Å
855	P	92.3	Very high	92.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-28.5	-178.2	-19.4	29.6	0	0	0	113.8	F727 V729 G853 A857 L858 S859 L868 M890 F892	F727-P855 HydrophobicContact CD1-CG 4.35Å; F727-P855 HydrophobicContact CE1-CG 3.69Å; F727-P855 HydrophobicContact CZ-CG 4.25Å; V729-P855 HydrophobicContact CB-CG 4.43Å; V729-P855 HydrophobicContact CG1-CG 4.08Å; V729-P855 HydrophobicContact CG2-CG 3.85Å; G853-P855 WeakPolarHBondContact O-CD 3.39Å; P855-A857 VanDerWaalsContact C-N 3.28Å; P855-A857 PolarHBondContact O-N 3.34Å; P855-L858 PolarHBondContact O-N 3.3Å; P855-S859 WeakPolarHBondContact O-CB 3.47Å; P855-S859 PolarHBondContact O-N 3.38Å; P855-S859 PolarHBondContact O-OG 3.45Å; P855-L868 HydrophobicContact CB-CD1 3.8Å; P855-L868 HydrophobicContact CB-CD2 3.83Å; P855-L868 HydrophobicContact CB-CG 4.46Å; P855-L868 HydrophobicContact CG-CD2 4.15Å; P855-M890 HydrophobicContact CB-CE 3.53Å; P855-M890 HydrophobicContact CG-CE 3.62Å; P855-F892 HydrophobicContact CB-CD1 4.38Å; P855-F892 HydrophobicContact CB-CE1 4.36Å
856	K	88.6	Confident	92.8	Very high	112 Å²	112	27.1 Å²	27.1	49%	0.487	13%	0.128	S	C	.	.	H	α-helix	trans	-63.3	-33.7	-180	-64.3	-174.1	174.2	-174.5	0	112.7	N854 K860 M890	N854-K856 VanDerWaalsContact C-N 3.25Å; N854-K856 PolarHBondContact O-N 2.75Å; N854-K856 WeakPolarHBondContact OD1-CB 3.5Å; N854-K856 PolarHBondContact OD1-N 2.92Å; K856-K860 WeakPolarHBondContact O-CE 3.44Å; K856-M890 HydrophobicContact CD-SD 4.34Å; K856-M890 HydrophobicContact CG-CE 3.91Å; K856-M890 HydrophobicContact CG-SD 3.8Å
857	A	87.7	Confident	92.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-79.5	-42	176.5	0	0	0	0	0	111.3	R822 N854 P855	R822-A857 WeakPolarHBondContact O-CB 3.19Å; N854-A857 PolarHBondContact O-N 3.01Å; P855-A857 VanDerWaalsContact C-N 3.28Å; P855-A857 PolarHBondContact O-N 3.34Å
858	L	90	Very high	92.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-72.7	-40.1	-175.2	-62.5	167.7	0	0	0	112.8	F727 C820 I829 L832 N854 P855 K860 Q861 W864 L868	F727-L858 HydrophobicContact CE2-CD1 4.02Å; F727-L858 HydrophobicContact CZ-CD1 3.73Å; C820-L858 HydrophobicContact CB-CD1 4Å; C820-L858 HydrophobicContact CB-CD2 4.3Å; I829-L858 HydrophobicContact CD1-CD2 4.45Å; I829-L858 HydrophobicContact CG2-CD2 4.43Å; L832-L858 HydrophobicContact CD1-CD2 3.91Å; N854-L858 WeakPolarHBondContact O-CG 3.47Å; N854-L858 PolarHBondContact O-N 2.98Å; P855-L858 PolarHBondContact O-N 3.3Å; L858-K860 PolarHBondContact O-N 3.44Å; L858-Q861 PolarHBondContact O-N 3.31Å; L858-W864 HydrophobicContact CB-CB 4.12Å; L858-W864 HydrophobicContact CB-CD2 4.27Å; L858-W864 HydrophobicContact CB-CE3 4.13Å; L858-W864 HydrophobicContact CB-CG 4.29Å; L858-W864 HydrophobicContact CD1-CE3 3.91Å; L858-W864 HydrophobicContact CD1-CZ3 3.99Å; L858-W864 HydrophobicContact CD2-CD2 3.93Å; L858-W864 HydrophobicContact CD2-CE3 4.03Å; L858-W864 HydrophobicContact CD2-CG 4.39Å; L858-W864 HydrophobicContact CD2-CZ2 4.46Å; L858-W864 HydrophobicContact CD2-CZ3 4.34Å; L858-W864 HydrophobicContact CG-CD2 4.49Å; L858-W864 HydrophobicContact CG-CE3 4.25Å; L858-W864 VanDerWaalsContact O-CB 3.22Å; L858-W864 WeakPolarHBondContact O-CB 3.44Å; L858-L868 HydrophobicContact CB-CD1 4.23Å
859	S	89.9	Confident	92.5	Very high	7 Å²	7	24.3 Å²	24.3	5%	0.049	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.2	-174.8	71.1	0	0	0	0	114.8	P855 Q861 N865 F892	P855-S859 WeakPolarHBondContact O-CB 3.47Å; P855-S859 PolarHBondContact O-N 3.38Å; P855-S859 PolarHBondContact O-OG 3.45Å; S859-Q861 VanDerWaalsContact C-N 3.3Å; S859-N865 PolarHBondContact O-ND2 3.16Å; S859-F892 WeakPolarHBondContact OG-CB 3.29Å
860	K	85.6	Confident	92.4	Very high	86 Å²	86	25.8 Å²	25.8	37%	0.374	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-29.6	173.4	-59.1	172.4	-167.8	171.8	0	112.3	N824 E825 K856 L858	N824-K860 PolarHBondContact O-NZ 3.23Å; E825-K860 PolarHBondContact O-NZ 3.01Å; K856-K860 WeakPolarHBondContact O-CE 3.44Å; L858-K860 PolarHBondContact O-N 3.44Å
861	Q	84.9	Confident	92.3	Very high	28 Å²	28	26 Å²	26	13%	0.131	13%	0.126	C	C	.	.	S	Bend	trans	-91.1	131.9	179.3	-163.9	-81.6	0.1	0	0	108.9	I829 N833 L858 S859 L863 W864 N865	I829-Q861 HydrophobicContact CD1-CB 3.61Å; I829-Q861 HydrophobicContact CD1-CG 3.88Å; I829-Q861 HydrophobicContact CG1-CB 4.38Å; N833-Q861 PolarHBondContact O-NE2 3.19Å; N833-Q861 WeakPolarHBondContact OD1-CG 3.46Å; L858-Q861 PolarHBondContact O-N 3.31Å; S859-Q861 VanDerWaalsContact C-N 3.3Å; Q861-L863 PolarHBondContact O-N 2.97Å; Q861-L863 VanDerWaalsContact OE1-CB 3.28Å; Q861-W864 HydrophobicContact CB-CB 4.47Å; Q861-W864 PolarHBondContact O-N 3.32Å; Q861-N865 PolarHBondContact O-N 2.86Å
862	P	89.1	Confident	92.1	Very high	69 Å²	69	29.3 Å²	29.3	45%	0.448	14%	0.141	S	C	.	.	H	α-helix	trans	-60.4	-42	-168.6	-28.3	35.9	0	0	0	115.6	N865 H866 P895	P862-N865 WeakPolarHBondContact O-CB 3.31Å; P862-N865 PolarHBondContact O-N 2.85Å; P862-H866 PolarHBondContact O-N 2.92Å; P862-H866 PolarHBondContact O-ND1 2.98Å; P862-P895 HydrophobicContact CB-CG 4.36Å; P862-P895 HydrophobicContact CG-CB 4.45Å; P862-P895 HydrophobicContact CG-CG 4.3Å
863	L	90.6	Very high	92	Very high	21 Å²	21	36 Å²	36	11%	0.11	17%	0.172	C	C	.	.	H	α-helix	trans	-66.3	-40.8	180	173.1	65.8	0	0	0	111.6	F690 I694 F695 P835 L838 Q861 H866 L867	F690-L863 HydrophobicContact CE1-CD1 4.39Å; F690-L863 HydrophobicContact CZ-CD1 4.13Å; I694-L863 HydrophobicContact CG2-CD1 3.48Å; I694-L863 VanDerWaalsContact CG2-CD1 3.48Å; F695-L863 HydrophobicContact CE1-CD1 4.15Å; F695-L863 HydrophobicContact CE1-CD2 4.07Å; F695-L863 HydrophobicContact CZ-CD1 4.05Å; F695-L863 HydrophobicContact CZ-CD2 4.1Å; P835-L863 HydrophobicContact CB-CD2 3.71Å; P835-L863 HydrophobicContact CG-CD2 4.22Å; L838-L863 HydrophobicContact CB-CD2 4.41Å; L838-L863 HydrophobicContact CD2-CD2 3.8Å; L838-L863 HydrophobicContact CD2-CG 3.79Å; Q861-L863 PolarHBondContact O-N 2.97Å; Q861-L863 VanDerWaalsContact OE1-CB 3.28Å; L863-H866 PolarHBondContact O-N 2.87Å; L863-L867 PolarHBondContact O-N 2.93Å
864	W	92.4	Very high	92	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.011	19%	0.185	C	C	.	.	H	α-helix	trans	-67	-34.3	173	-78.9	96.1	0	0	0	112.5	F727 L818 I829 L832 L838 I851 L858 Q861 L867 L868	F727-W864 HydrophobicContact CE2-CZ3 4.35Å; L818-W864 HydrophobicContact CD2-CH2 4.26Å; I829-W864 VanDerWaalsContact CD1-CD1 3.49Å; I829-W864 HydrophobicContact CD1-CG 4.29Å; L832-W864 HydrophobicContact CD2-CZ2 3.74Å; L832-W864 PolarHBondContact O-NE1 2.86Å; L838-W864 HydrophobicContact CD1-CH2 3.72Å; L838-W864 HydrophobicContact CD1-CZ2 3.64Å; L838-W864 HydrophobicContact CD1-CZ3 4.4Å; L838-W864 HydrophobicContact CD2-CD2 4.38Å; L838-W864 HydrophobicContact CD2-CZ2 4.32Å; L838-W864 HydrophobicContact CG-CZ2 4.47Å; I851-W864 HydrophobicContact CG2-CZ3 4.49Å; L858-W864 HydrophobicContact CB-CB 4.12Å; L858-W864 HydrophobicContact CB-CD2 4.27Å; L858-W864 HydrophobicContact CB-CE3 4.13Å; L858-W864 HydrophobicContact CB-CG 4.29Å; L858-W864 HydrophobicContact CD1-CE3 3.91Å; L858-W864 HydrophobicContact CD1-CZ3 3.99Å; L858-W864 HydrophobicContact CD2-CD2 3.93Å; L858-W864 HydrophobicContact CD2-CE3 4.03Å; L858-W864 HydrophobicContact CD2-CG 4.39Å; L858-W864 HydrophobicContact CD2-CZ2 4.46Å; L858-W864 HydrophobicContact CD2-CZ3 4.34Å; L858-W864 HydrophobicContact CG-CD2 4.49Å; L858-W864 HydrophobicContact CG-CE3 4.25Å; L858-W864 VanDerWaalsContact O-CB 3.22Å; L858-W864 WeakPolarHBondContact O-CB 3.44Å; Q861-W864 HydrophobicContact CB-CB 4.47Å; Q861-W864 PolarHBondContact O-N 3.32Å; W864-L867 HydrophobicContact CE3-CD2 3.76Å; W864-L867 HydrophobicContact CH2-CD2 4.48Å; W864-L867 HydrophobicContact CZ3-CD2 3.69Å; W864-L867 PolarHBondContact O-N 2.94Å; W864-L868 WeakPolarHBondContact O-CB 3.48Å; W864-L868 VanDerWaalsContact O-CG 3.27Å; W864-L868 WeakPolarHBondContact O-CG 3.21Å; W864-L868 PolarHBondContact O-N 3.34Å
865	N	92.5	Very high	92.2	Very high	7 Å²	7	43 Å²	43	4%	0.037	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-47.1	171.6	-161.8	-81.4	0	0	0	111.1	S859 Q861 P862 L867 L868 N869 S893 P895	S859-N865 PolarHBondContact O-ND2 3.16Å; Q861-N865 PolarHBondContact O-N 2.86Å; P862-N865 WeakPolarHBondContact O-CB 3.31Å; P862-N865 PolarHBondContact O-N 2.85Å; N865-L867 PolarHBondContact O-N 3.41Å; N865-L868 PolarHBondContact O-N 2.85Å; N865-N869 PolarHBondContact O-N 3.04Å; N865-N869 PolarHBondContact O-ND2 2.84Å; N865-N869 VanDerWaalsContact O-ND2 3.12Å; N865-N869 PolarHBondContact OD1-ND2 3.14Å; N865-S893 PolarHBondContact ND2-O 2.8Å; N865-P895 HydrophobicContact CB-CG 4.47Å
866	H	93.6	Very high	92.4	Very high	105 Å²	105	43 Å²	43	49%	0.486	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-40.4	175	-70.2	87.5	0	0	0	112.5	F690 P862 L863 N869 Y870	F690-H866 HydrophobicContact CE2-CB 4.32Å; P862-H866 PolarHBondContact O-N 2.92Å; P862-H866 PolarHBondContact O-ND1 2.98Å; L863-H866 PolarHBondContact O-N 2.87Å; H866-N869 PolarHBondContact O-N 2.65Å; H866-Y870 WeakPolarHBondContact O-CB 3.48Å; H866-Y870 PolarHBondContact O-N 2.85Å
867	L	95.3	Very high	92.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-45.4	175.3	-175.2	71.7	0	0	0	111.7	F690 L838 L842 I851 L863 W864 N865 Y870 Y871	F690-L867 HydrophobicContact CD1-CD1 3.7Å; F690-L867 HydrophobicContact CD2-CD1 4.14Å; F690-L867 HydrophobicContact CE1-CB 4.3Å; F690-L867 HydrophobicContact CE1-CD1 3.59Å; F690-L867 VanDerWaalsContact CE2-CA 3.49Å; F690-L867 HydrophobicContact CE2-CB 4.08Å; F690-L867 HydrophobicContact CE2-CD1 4.03Å; F690-L867 HydrophobicContact CG-CD1 3.98Å; F690-L867 HydrophobicContact CZ-CB 3.72Å; F690-L867 HydrophobicContact CZ-CD1 3.76Å; F690-L867 HydrophobicContact CZ-CG 4.36Å; L838-L867 HydrophobicContact CD1-CD2 4.3Å; L838-L867 HydrophobicContact CD2-CD2 4.3Å; L842-L867 HydrophobicContact CD1-CD1 4.01Å; L842-L867 HydrophobicContact CD2-CD1 4.48Å; I851-L867 HydrophobicContact CD1-CD2 4.01Å; L863-L867 PolarHBondContact O-N 2.93Å; W864-L867 HydrophobicContact CE3-CD2 3.76Å; W864-L867 HydrophobicContact CH2-CD2 4.48Å; W864-L867 HydrophobicContact CZ3-CD2 3.69Å; W864-L867 PolarHBondContact O-N 2.94Å; N865-L867 PolarHBondContact O-N 3.41Å; L867-Y870 PolarHBondContact O-N 2.84Å; L867-Y871 HydrophobicContact CD1-CD2 3.88Å; L867-Y871 HydrophobicContact CD1-CE2 3.56Å; L867-Y871 HydrophobicContact CG-CD2 4.15Å; L867-Y871 HydrophobicContact CG-CE2 4.19Å; L867-Y871 VanDerWaalsContact O-CD2 3.3Å; L867-Y871 WeakPolarHBondContact O-CD2 3.36Å; L867-Y871 PolarHBondContact O-N 2.8Å
868	L	95.4	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.9	-39.9	179.5	-71.6	166.9	0	0	0	112.4	F727 P855 L858 W864 N865 Y871 K872 L877 F892	F727-L868 HydrophobicContact CD1-CD2 4.27Å; F727-L868 HydrophobicContact CD2-CD2 3.82Å; F727-L868 HydrophobicContact CE1-CD2 4.24Å; F727-L868 HydrophobicContact CE2-CD2 3.75Å; F727-L868 HydrophobicContact CG-CD2 4.11Å; F727-L868 HydrophobicContact CZ-CD2 3.99Å; P855-L868 HydrophobicContact CB-CD1 3.8Å; P855-L868 HydrophobicContact CB-CD2 3.83Å; P855-L868 HydrophobicContact CB-CG 4.46Å; P855-L868 HydrophobicContact CG-CD2 4.15Å; L858-L868 HydrophobicContact CB-CD1 4.23Å; W864-L868 WeakPolarHBondContact O-CB 3.48Å; W864-L868 VanDerWaalsContact O-CG 3.27Å; W864-L868 WeakPolarHBondContact O-CG 3.21Å; W864-L868 PolarHBondContact O-N 3.34Å; N865-L868 PolarHBondContact O-N 2.85Å; L868-Y871 PolarHBondContact O-N 3.14Å; L868-K872 WeakPolarHBondContact O-CB 3.47Å; L868-K872 PolarHBondContact O-N 3.07Å; L868-L877 HydrophobicContact CD2-CD1 4.19Å; L868-F892 HydrophobicContact CB-CD2 4.44Å; L868-F892 HydrophobicContact CB-CE2 3.81Å; L868-F892 HydrophobicContact CB-CZ 4.04Å
869	N	94.1	Very high	93.5	Very high	50 Å²	50	40.1 Å²	40.1	27%	0.267	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-48.7	173.6	-64.5	-28.4	0	0	0	110.6	N865 H866 Y871 K872 E873 F892	N865-N869 PolarHBondContact O-N 3.04Å; N865-N869 PolarHBondContact O-ND2 2.84Å; N865-N869 VanDerWaalsContact O-ND2 3.12Å; N865-N869 PolarHBondContact OD1-ND2 3.14Å; H866-N869 PolarHBondContact O-N 2.65Å; N869-Y871 PolarHBondContact O-N 2.93Å; N869-K872 CarbonylContact O-C 3.6Å; N869-K872 WeakPolarHBondContact O-CA 3.2Å; N869-K872 WeakPolarHBondContact O-CB 3.34Å; N869-K872 PolarHBondContact O-N 2.93Å; N869-E873 WeakPolarHBondContact O-CB 3.45Å; N869-E873 WeakPolarHBondContact O-CG 3.36Å; N869-E873 PolarHBondContact O-N 2.94Å; N869-F892 WeakPolarHBondContact OD1-CE2 3.47Å
870	Y	95.5	Very high	93.7	Very high	34 Å²	34	40.9 Å²	40.9	13%	0.133	20%	0.2	C	C	.	.	H	α-helix	trans	-57.7	-46.5	176.3	176.1	-103.8	0	0	0	112.3	F690 M725 H866 L867 K872 E873 Q874	F690-Y870 HydrophobicContact CB-CD1 3.83Å; F690-Y870 HydrophobicContact CB-CE1 3.72Å; F690-Y870 HydrophobicContact CB-CG 4.44Å; F690-Y870 AromaticContact CD2-CD1 3.83Å; F690-Y870 HydrophobicContact CD2-CD1 3.83Å; F690-Y870 AromaticContact CD2-CG 3.83Å; F690-Y870 HydrophobicContact CD2-CG 3.83Å; F690-Y870 HydrophobicContact CG-CD1 4.18Å; M725-Y870 HydrophobicContact CE-CE1 3.86Å; H866-Y870 WeakPolarHBondContact O-CB 3.48Å; H866-Y870 PolarHBondContact O-N 2.85Å; L867-Y870 PolarHBondContact O-N 2.84Å; Y870-K872 VanDerWaalsContact C-N 3.27Å; Y870-K872 PolarHBondContact O-N 3.05Å; Y870-E873 PolarHBondContact O-N 3.27Å; Y870-Q874 HydrophobicContact CD1-CG 4.48Å; Y870-Q874 HydrophobicContact CD2-CG 4.11Å; Y870-Q874 HydrophobicContact CE1-CG 4.12Å; Y870-Q874 HydrophobicContact CE2-CG 3.74Å; Y870-Q874 HydrophobicContact CG-CG 4.47Å; Y870-Q874 WeakPolarHBondContact O-CB 3.48Å; Y870-Q874 VanDerWaalsContact O-CG 3.25Å; Y870-Q874 WeakPolarHBondContact O-CG 3.33Å; Y870-Q874 PolarHBondContact O-N 2.87Å
871	Y	96.6	Very high	94	Very high	8 Å²	8	40 Å²	40	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-31.5	176.7	-88.2	-115.9	0	0	0	112.4	M725 F727 I851 L867 L868 N869 K875 V876 L877	M725-Y871 HydrophobicContact CB-CE1 4.24Å; M725-Y871 HydrophobicContact CG-CE1 4.27Å; M725-Y871 HydrophobicContact SD-CE1 4.41Å; M725-Y871 HydrophobicContact SD-CE2 4.38Å; F727-Y871 HydrophobicContact CB-CD1 3.62Å; F727-Y871 HydrophobicContact CB-CE1 4.24Å; F727-Y871 HydrophobicContact CB-CG 4.22Å; I851-Y871 HydrophobicContact CD1-CE1 4.27Å; I851-Y871 HydrophobicContact CD1-CE2 4.48Å; L867-Y871 HydrophobicContact CD1-CD2 3.88Å; L867-Y871 HydrophobicContact CD1-CE2 3.56Å; L867-Y871 HydrophobicContact CG-CD2 4.15Å; L867-Y871 HydrophobicContact CG-CE2 4.19Å; L867-Y871 VanDerWaalsContact O-CD2 3.3Å; L867-Y871 WeakPolarHBondContact O-CD2 3.36Å; L867-Y871 PolarHBondContact O-N 2.8Å; L868-Y871 PolarHBondContact O-N 3.14Å; N869-Y871 PolarHBondContact O-N 2.93Å; Y871-K875 PolarHBondContact O-N 3.16Å; Y871-V876 HydrophobicContact CD1-CG2 3.64Å; Y871-V876 HydrophobicContact CE1-CG2 4.29Å; Y871-V876 HydrophobicContact CG-CG2 4.01Å; Y871-V876 CarbonylContact O-C 3.54Å; Y871-V876 WeakPolarHBondContact O-CG2 3.44Å; Y871-V876 PolarHBondContact O-N 3.42Å; Y871-L877 PolarHBondContact O-N 3.46Å; Y871-L877 VanDerWaalsContact O-N 3.09Å
872	K	94.8	Very high	94.3	Very high	69 Å²	69	39.9 Å²	39.9	30%	0.3	20%	0.203	S	C	.	.	H	α-helix	trans	-72.6	-46.9	174.7	-165.1	169	-170	172.8	0	112.1	L868 N869 Y870 Q874 K875 L877 L889 M890 F892	L868-K872 WeakPolarHBondContact O-CB 3.47Å; L868-K872 PolarHBondContact O-N 3.07Å; N869-K872 CarbonylContact O-C 3.6Å; N869-K872 WeakPolarHBondContact O-CA 3.2Å; N869-K872 WeakPolarHBondContact O-CB 3.34Å; N869-K872 PolarHBondContact O-N 2.93Å; Y870-K872 VanDerWaalsContact C-N 3.27Å; Y870-K872 PolarHBondContact O-N 3.05Å; K872-Q874 VanDerWaalsContact C-N 3.26Å; K872-Q874 PolarHBondContact O-N 2.57Å; K872-K875 PolarHBondContact O-N 3.1Å; K872-L877 HydrophobicContact CB-CB 4.21Å; K872-L877 HydrophobicContact CB-CD2 3.93Å; K872-L877 HydrophobicContact CD-CD2 4.08Å; K872-L877 HydrophobicContact CG-CD2 4.14Å; K872-L889 PolarHBondContact NZ-O 3.47Å; K872-M890 PolarHBondContact NZ-O 3.48Å; K872-F892 HydrophobicContact CD-CZ 4.13Å
873	E	94.6	Very high	94.4	Very high	140 Å²	140	42.3 Å²	42.3	65%	0.654	21%	0.212	S	C	*	.	H	α-helix	trans	-57.8	-38.5	174.1	-71.5	162	-160.5	0	0	112	N869 Y870 K875	N869-E873 WeakPolarHBondContact O-CB 3.45Å; N869-E873 WeakPolarHBondContact O-CG 3.36Å; N869-E873 PolarHBondContact O-N 2.94Å; Y870-E873 PolarHBondContact O-N 3.27Å; E873-K875 PolarHBondContact O-N 2.83Å
874	Q	95.2	Very high	94.6	Very high	57 Å²	57	47.1 Å²	47.1	27%	0.266	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.2	177	-67.5	-52.9	-42	0	0	114.5	K723 Y870 K872 V876	K723-Q874 HydrophobicContact CD-CB 4.28Å; K723-Q874 PolarHBondContact NZ-O 3.45Å; Y870-Q874 HydrophobicContact CD1-CG 4.48Å; Y870-Q874 HydrophobicContact CD2-CG 4.11Å; Y870-Q874 HydrophobicContact CE1-CG 4.12Å; Y870-Q874 HydrophobicContact CE2-CG 3.74Å; Y870-Q874 HydrophobicContact CG-CG 4.47Å; Y870-Q874 WeakPolarHBondContact O-CB 3.48Å; Y870-Q874 VanDerWaalsContact O-CG 3.25Å; Y870-Q874 WeakPolarHBondContact O-CG 3.33Å; Y870-Q874 PolarHBondContact O-N 2.87Å; K872-Q874 VanDerWaalsContact C-N 3.26Å; K872-Q874 PolarHBondContact O-N 2.57Å; Q874-V876 HydrophobicContact CB-CG2 3.92Å
875	K	96.9	Very high	94.7	Very high	107 Å²	107	49 Å²	49	47%	0.465	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	34.8	-176.5	-59.2	-172.9	162.2	-148.6	0	115.2	Q720 Y871 K872 E873 E887	Q720-K875 HydrophobicContact CG-CB 4.12Å; Q720-K875 VanDerWaalsContact CG-O 3.31Å; Q720-K875 WeakPolarHBondContact CG-O 3.5Å; Q720-K875 VanDerWaalsContact NE2-CB 3.31Å; Q720-K875 PolarHBondContact NE2-O 2.8Å; Y871-K875 PolarHBondContact O-N 3.16Å; K872-K875 PolarHBondContact O-N 3.1Å; E873-K875 PolarHBondContact O-N 2.83Å; K875-E887 WeakPolarHBondContact CD-OE1 3.49Å; K875-E887 IonicContact NZ-OE1 3.77Å
876	V	97.4	Very high	94.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.273	C	S	.	.			trans	-125.2	16.5	-178.8	-63.4	0	0	0	0	113.2	Q720 K723 M725 F726 F727 Y871 Q874	Q720-V876 HydrophobicContact CB-CG1 3.92Å; Q720-V876 HydrophobicContact CG-CG1 3.6Å; K723-V876 HydrophobicContact CB-CG1 4.26Å; K723-V876 HydrophobicContact CD-CG1 4.36Å; M725-V876 HydrophobicContact CE-CG2 4.36Å; M725-V876 HydrophobicContact CG-CG2 4.39Å; M725-V876 WeakPolarHBondContact O-CB 3.32Å; M725-V876 WeakPolarHBondContact O-CG1 3.12Å; F726-V876 CarbonylContact C-O 3.54Å; F726-V876 VanDerWaalsContact CA-O 3.24Å; F726-V876 WeakPolarHBondContact CA-O 3.3Å; F726-V876 HydrophobicContact CB-CB 4.21Å; F726-V876 VanDerWaalsContact CB-O 3.29Å; F726-V876 WeakPolarHBondContact CB-O 3.32Å; F727-V876 PolarHBondContact N-O 2.95Å; Y871-V876 HydrophobicContact CD1-CG2 3.64Å; Y871-V876 HydrophobicContact CE1-CG2 4.29Å; Y871-V876 HydrophobicContact CG-CG2 4.01Å; Y871-V876 CarbonylContact O-C 3.54Å; Y871-V876 WeakPolarHBondContact O-CG2 3.44Å; Y871-V876 PolarHBondContact O-N 3.42Å; Q874-V876 HydrophobicContact CB-CG2 3.92Å
877	L	97.6	Very high	94.9	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.8	164.5	178.6	65.9	0	0	0	108.7	F727 V729 L868 Y871 K872 S888 F892	F727-L877 HydrophobicContact CB-CD1 3.78Å; F727-L877 HydrophobicContact CD1-CD1 3.53Å; F727-L877 HydrophobicContact CE1-CD1 4.45Å; F727-L877 HydrophobicContact CG-CD1 3.82Å; V729-L877 HydrophobicContact CG2-CD1 3.61Å; V729-L877 HydrophobicContact CG2-CG 4.19Å; L868-L877 HydrophobicContact CD2-CD1 4.19Å; Y871-L877 PolarHBondContact O-N 3.46Å; Y871-L877 VanDerWaalsContact O-N 3.09Å; K872-L877 HydrophobicContact CB-CB 4.21Å; K872-L877 HydrophobicContact CB-CD2 3.93Å; K872-L877 HydrophobicContact CD-CD2 4.08Å; K872-L877 HydrophobicContact CG-CD2 4.14Å; L877-S888 PolarHBondContact O-N 3.44Å; L877-F892 HydrophobicContact CD2-CE1 3.88Å; L877-F892 HydrophobicContact CD2-CZ 3.58Å
878	V	97.3	Very high	94.8	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.9	-164.9	-63.7	0	0	0	0	114.2	P719 F726 F727 Y728 V729 L885 R886	P719-V878 HydrophobicContact CB-CG1 3.87Å; P719-V878 HydrophobicContact CG-CG1 4.03Å; P719-V878 HydrophobicContact CG-CG2 4.14Å; F726-V878 HydrophobicContact CB-CG2 4.02Å; F726-V878 HydrophobicContact CD2-CG2 3.48Å; F726-V878 VanDerWaalsContact CD2-CG2 3.48Å; F726-V878 HydrophobicContact CE2-CG2 4.28Å; F726-V878 HydrophobicContact CG-CG2 4.09Å; F727-V878 PolarHBondContact O-N 3.31Å; Y728-V878 WeakPolarHBondContact CA-O 3.41Å; V729-V878 WeakPolarHBondContact CG2-O 3.46Å; V729-V878 PolarHBondContact N-O 3.03Å; V878-L885 HydrophobicContact CB-CB 4.41Å; V878-L885 HydrophobicContact CG2-CD1 4.29Å; V878-L885 HydrophobicContact CG2-CD2 4.24Å; V878-R886 CarbonylContact C-O 3.17Å; V878-R886 WeakPolarHBondContact CA-O 3.37Å; V878-R886 WeakPolarHBondContact CB-O 3.34Å
879	E	95	Very high	94.5	Very high	46 Å²	46	62.1 Å²	62.1	22%	0.215	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	-177.4	179.5	62.2	173.7	-113.7	0	0	110.5	V729 R886 S888	V729-E879 HydrophobicContact CB-CB 4.2Å; E879-R886 HydrophobicContact CG-CG 3.68Å; E879-R886 PolarHBondContact N-O 3.31Å; E879-R886 PolarHBondContact O-N 3.31Å; E879-R886 IonicContact OE1-CZ 3.71Å; E879-R886 IonicContact OE1-NE 2.82Å; E879-R886 PolarHBondContact OE1-NE 3.37Å; E879-R886 IonicContact OE1-NH2 2.75Å; E879-R886 PolarHBondContact OE1-NH2 3.05Å; E879-S888 WeakPolarHBondContact OE2-CA 3.22Å; E879-S888 WeakPolarHBondContact OE2-CB 3.36Å; E879-S888 PolarHBondContact OE2-OG 2.82Å
880	G	92.9	Very high	94.1	Very high	23 Å²	23	61.4 Å²	61.4	24%	0.237	30%	0.303	C	S	.	.	S	Bend	trans	85.3	-173.3	-174	0	0	0	0	0	112.3	Y728	Y728-G880 VanDerWaalsContact CE2-O 3.25Å; Y728-G880 WeakPolarHBondContact CE2-O 3.48Å; Y728-G880 PolarHBondContact OH-O 3.07Å; Y728-G880 VanDerWaalsContact OH-O 3.07Å
881	P	92.8	Very high	93.3	Very high	69 Å²	69	68.2 Å²	68.2	45%	0.448	34%	0.336	S	S	.	.			trans	-79.4	150.6	-179	34.3	-36.4	0	0	0	111.9	N883 N884 L885	P881-N883 VanDerWaalsContact CB-OD1 3.32Å; P881-N883 WeakPolarHBondContact CB-OD1 3.12Å; P881-N883 WeakPolarHBondContact CG-OD1 3.22Å; P881-N883 PolarHBondContact O-N 3.43Å; P881-N884 HydrophobicContact CG-CB 4.3Å; P881-N884 CarbonylContact O-C 3.6Å; P881-N884 PolarHBondContact O-N 3.5Å; P881-L885 PolarHBondContact O-N 3.18Å
882	L	91.1	Very high	92.5	Very high	25 Å²	25	69.6 Å²	69.6	13%	0.131	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-11.5	-176.3	-63.9	176.2	0	0	0	115.7	Y728 K754 I755 R758 L885	Y728-L882 HydrophobicContact CD1-CD2 4.23Å; Y728-L882 HydrophobicContact CD2-CD2 4.42Å; Y728-L882 HydrophobicContact CE1-CD2 3.75Å; Y728-L882 HydrophobicContact CE1-CG 4.32Å; Y728-L882 HydrophobicContact CE2-CD2 3.99Å; K754-L882 HydrophobicContact CB-CD1 3.58Å; I755-L882 HydrophobicContact CG1-CD1 3.77Å; I755-L882 HydrophobicContact CG1-CD2 3.95Å; R758-L882 PolarHBondContact NH1-O 3.34Å; R758-L882 PolarHBondContact NH2-O 2.95Å; L882-L885 HydrophobicContact CD2-CD1 4.49Å; L882-L885 HydrophobicContact CD2-CD2 4.37Å
883	N	91.3	Very high	91.1	Very high	119 Å²	119	70.8 Å²	70.8	64%	0.636	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-9.5	173.7	66.9	-34.2	0	0	0	113.8	P881	P881-N883 VanDerWaalsContact CB-OD1 3.32Å; P881-N883 WeakPolarHBondContact CB-OD1 3.12Å; P881-N883 WeakPolarHBondContact CG-OD1 3.22Å; P881-N883 PolarHBondContact O-N 3.43Å
884	N	93.4	Very high	89.4	Confident	122 Å²	122	73.4 Å²	73.4	65%	0.652	37%	0.369	S	S	*	.	S	Bend	trans	-153	67.6	178.6	-171	17.9	0	0	0	109.4	P881	P881-N884 HydrophobicContact CG-CB 4.3Å; P881-N884 CarbonylContact O-C 3.6Å; P881-N884 PolarHBondContact O-N 3.5Å
885	L	94.8	Very high	87.5	Confident	42 Å²	42	72.7 Å²	72.7	22%	0.22	37%	0.369	C	S	.	.			trans	-74.2	137.9	-179.6	-71.2	171.4	0	0	0	110.7	P719 F726 Y728 V878 P881 L882	P719-L885 HydrophobicContact CG-CD1 3.95Å; F726-L885 HydrophobicContact CE2-CD1 4.12Å; F726-L885 HydrophobicContact CZ-CD1 4.31Å; Y728-L885 HydrophobicContact CD2-CD2 3.9Å; Y728-L885 HydrophobicContact CE2-CD2 3.53Å; V878-L885 HydrophobicContact CB-CB 4.41Å; V878-L885 HydrophobicContact CG2-CD1 4.29Å; V878-L885 HydrophobicContact CG2-CD2 4.24Å; P881-L885 PolarHBondContact O-N 3.18Å; L882-L885 HydrophobicContact CD2-CD1 4.49Å; L882-L885 HydrophobicContact CD2-CD2 4.37Å
886	R	94.8	Very high	85.2	Confident	149 Å²	149	78.9 Å²	78.9	56%	0.562	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.4	176.4	66.1	-176.7	-178.2	-129.3	-0.3	111	V878 E879 S888	V878-R886 CarbonylContact C-O 3.17Å; V878-R886 WeakPolarHBondContact CA-O 3.37Å; V878-R886 WeakPolarHBondContact CB-O 3.34Å; E879-R886 HydrophobicContact CG-CG 3.68Å; E879-R886 PolarHBondContact N-O 3.31Å; E879-R886 PolarHBondContact O-N 3.31Å; E879-R886 IonicContact OE1-CZ 3.71Å; E879-R886 IonicContact OE1-NE 2.82Å; E879-R886 PolarHBondContact OE1-NE 3.37Å; E879-R886 IonicContact OE1-NH2 2.75Å; E879-R886 PolarHBondContact OE1-NH2 3.05Å; R886-S888 PolarHBondContact O-N 2.88Å
887	E	95.4	Very high	82.4	Confident	84 Å²	84	88.6 Å²	88.6	39%	0.393	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	133.5	171.6	-65.7	-173.1	-133.4	0	0	110.3	K875 L889	K875-E887 WeakPolarHBondContact CD-OE1 3.49Å; K875-E887 IonicContact NZ-OE1 3.77Å; E887-L889 PolarHBondContact O-N 3.06Å
888	S	93	Very high	79.6	Confident	4 Å²	4	96.3 Å²	96.3	3%	0.028	47%	0.472	C	S	.	.			trans	-81	119.2	179.9	-173.4	0	0	0	0	111.3	L877 E879 R886 M890	L877-S888 PolarHBondContact O-N 3.44Å; E879-S888 WeakPolarHBondContact OE2-CA 3.22Å; E879-S888 WeakPolarHBondContact OE2-CB 3.36Å; E879-S888 PolarHBondContact OE2-OG 2.82Å; R886-S888 PolarHBondContact O-N 2.88Å; S888-M890 PolarHBondContact O-N 2.6Å
889	L	89.8	Confident	76.5	Confident	152 Å²	152	102.6 Å²	102.6	80%	0.796	51%	0.51	S	S	*	.			trans	-70.6	-12.5	177.9	-60.3	-178.9	0	0	0	112.7	K872 E887 Q891	K872-L889 PolarHBondContact NZ-O 3.47Å; E887-L889 PolarHBondContact O-N 3.06Å; L889-Q891 PolarHBondContact O-N 3.01Å
890	M	85.8	Confident	73.5	Confident	35 Å²	35	107.1 Å²	107.1	17%	0.172	54%	0.536	C	S	.	.			trans	-54.4	132.6	-171.5	-165.7	169.5	70	0	0	112.4	V729 P855 K856 K872 S888 F892	V729-M890 HydrophobicContact CG1-CE 4.4Å; P855-M890 HydrophobicContact CB-CE 3.53Å; P855-M890 HydrophobicContact CG-CE 3.62Å; K856-M890 HydrophobicContact CD-SD 4.34Å; K856-M890 HydrophobicContact CG-CE 3.91Å; K856-M890 HydrophobicContact CG-SD 3.8Å; K872-M890 PolarHBondContact NZ-O 3.48Å; S888-M890 PolarHBondContact O-N 2.6Å; M890-F892 HydrophobicContact CE-CD1 4.39Å; M890-F892 WeakPolarHBondContact O-CE1 3.39Å
891	Q	79.9	Confident	70.7	Confident	177 Å²	177	110.8 Å²	110.8	83%	0.827	56%	0.564	S	S	*	*			trans	-97.5	148.8	175.8	-58.9	-176.6	9.6	0	0	109.9	L889	L889-Q891 PolarHBondContact O-N 3.01Å
892	F	78.4	Confident	67.9	Low	36 Å²	36	114.6 Å²	114.6	16%	0.158	58%	0.579	C	S	.	*			trans	-135.3	138.1	175.8	12.9	-83.6	0	0	0	108.5	P855 S859 L868 N869 K872 L877 M890	P855-F892 HydrophobicContact CB-CD1 4.38Å; P855-F892 HydrophobicContact CB-CE1 4.36Å; S859-F892 WeakPolarHBondContact OG-CB 3.29Å; L868-F892 HydrophobicContact CB-CD2 4.44Å; L868-F892 HydrophobicContact CB-CE2 3.81Å; L868-F892 HydrophobicContact CB-CZ 4.04Å; N869-F892 WeakPolarHBondContact OD1-CE2 3.47Å; K872-F892 HydrophobicContact CD-CZ 4.13Å; L877-F892 HydrophobicContact CD2-CE1 3.88Å; L877-F892 HydrophobicContact CD2-CZ 3.58Å; M890-F892 HydrophobicContact CE-CD1 4.39Å; M890-F892 WeakPolarHBondContact O-CE1 3.39Å
893	S	66.6	Low	65.2	Low	95 Å²	95	119.3 Å²	119.3	66%	0.664	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-70.2	152.3	-177.5	42.4	0	0	0	0	111.9	N865	N865-S893 PolarHBondContact ND2-O 2.8Å
894	K	58.8	Low	62.2	Low	195 Å²	195	119.6 Å²	119.6	85%	0.848	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-64	134.1	167.7	-68.1	-176.9	179.2	179.5	0	108.5
895	P	54.3	Low	59.2	Low	41 Å²	41	117 Å²	117	27%	0.266	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-65.8	136.9	-178.7	27.7	-34.3	0	0	0	110.2	P862 N865 K897	P862-P895 HydrophobicContact CB-CG 4.36Å; P862-P895 HydrophobicContact CG-CB 4.45Å; P862-P895 HydrophobicContact CG-CG 4.3Å; N865-P895 HydrophobicContact CB-CG 4.47Å; P895-K897 PolarHBondContact O-N 2.92Å
896	R	49.6	Very low	56.2	Low	237 Å²	237	117.5 Å²	117.5	89%	0.894	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-62.7	133.5	172.7	-67.3	-175.2	178	-171.9	-0.8	108.9	L898	R896-L898 PolarHBondContact O-N 2.98Å
897	K	38.8	Very low	53.2	Low	204 Å²	204	120.5 Å²	120.5	89%	0.887	64%	0.641	S	S	*	*			trans	-64.4	106.7	172.4	-77	-173.8	176.8	-178.6	0	109.3	P895 V899	P895-K897 PolarHBondContact O-N 2.92Å; K897-V899 PolarHBondContact O-N 3.4Å
898	L	37.5	Very low	50.4	Low	165 Å²	165	126.2 Å²	126.2	86%	0.864	67%	0.665	S	S	*	*			trans	-76.5	103.9	167.1	-94	145.6	0	0	0	108.8	R896	R896-L898 PolarHBondContact O-N 2.98Å
899	V	31.6	Very low	47.6	Very low	134 Å²	134	134.7 Å²	134.7	81%	0.812	71%	0.706	S	S	*	*			trans	-78.4	119.7	167	-178	0	0	0	0	107.2	K897	K897-V899 PolarHBondContact O-N 3.4Å
900	N	33.2	Very low	44.9	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	70%	0.703	S	S	*	*			trans	-112.4	107.4	-175.2	-151	21.9	0	0	0	109.2	I902	N900-I902 VanDerWaalsContact C-N 3.26Å; N900-I902 PolarHBondContact O-N 3.26Å
901	A	32.8	Very low	42.2	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	73%	0.729	S	S	*	*			trans	-80	6.1	-164	0	0	0	0	0	115.7
902	I	35.1	Very low	39.7	Very low	149 Å²	149	131.5 Å²	131.5	76%	0.764	72%	0.72	S	S	*	*	S	Bend	trans	-127.2	54.3	-166.1	-40.8	178	0	0	0	112	N900	N900-I902 VanDerWaalsContact C-N 3.26Å; N900-I902 PolarHBondContact O-N 3.26Å
903	N	33.5	Very low	37.5	Very low	124 Å²	124	138.9 Å²	138.9	66%	0.663	76%	0.757	S	S	*	*			trans	-167.1	108.6	148.6	-144.8	-43.5	0	0	0	113.3	G905 G906	N903-G905 PolarHBondContact O-N 3.44Å; N903-G905 PolarHBondContact OD1-N 3.32Å; N903-G906 PolarHBondContact O-N 2.97Å
904	P	28.5	Very low	35.5	Very low	126 Å²	126	144 Å²	144	82%	0.818	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	176.1	-24.5	35.5	0	0	0	114.5	G906	P904-G906 VanDerWaalsContact C-N 3.32Å; P904-G906 PolarHBondContact O-N 3.29Å
905	G	30.4	Very low	34	Very low	68 Å²	68	139.7 Å²	139.7	70%	0.701	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-6.6	-178.7	0	0	0	0	0	115.5	N903 R907	N903-G905 PolarHBondContact O-N 3.44Å; N903-G905 PolarHBondContact OD1-N 3.32Å; G905-R907 PolarHBondContact O-N 3.32Å
906	G	33.1	Very low	32.9	Very low	51 Å²	51	141.7 Å²	141.7	53%	0.526	77%	0.77	S	S	.	*			trans	-75.7	12.1	-169.7	0	0	0	0	0	117.3	N903 P904 F908	N903-G906 PolarHBondContact O-N 2.97Å; P904-G906 VanDerWaalsContact C-N 3.32Å; P904-G906 PolarHBondContact O-N 3.29Å; G906-F908 PolarHBondContact O-N 3.48Å
907	R	31.3	Very low	32.1	Very low	212 Å²	212	140 Å²	140	80%	0.8	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	30	-165.1	-73.7	-168.6	173.6	-124.8	4.9	116.9	G905	G905-R907 PolarHBondContact O-N 3.32Å
908	F	36.1	Very low	31.9	Very low	205 Å²	205	137.1 Å²	137.1	90%	0.899	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	12.5	-179.1	-93.7	-76.1	0	0	0	116.9	G906	G906-F908 PolarHBondContact O-N 3.48Å
909	M	34.1	Very low	31.9	Very low	181 Å²	181	133.6 Å²	133.6	89%	0.892	75%	0.747	S	S	*	*	S	Bend	trans	-132.8	23.1	169.4	-70	-163.8	-179.8	0	0	114.5
910	S	33.6	Very low	32.1	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	75%	0.745	S	S	*	*	S	Bend	trans	-151.6	51.6	-178.2	72.1	0	0	0	0	116.2
911	T	28.1	Very low	32.2	Very low	118 Å²	118	133 Å²	133	72%	0.724	74%	0.738	S	S	*	*			trans	-135.9	146.5	161.9	-28.9	0	0	0	0	109.9
912	A	28.5	Very low	31.9	Very low	76 Å²	76	134.2 Å²	134.2	63%	0.628	74%	0.737	S	S	*	*			trans	-79.5	169.5	175	0	0	0	0	0	111.6
913	M	32	Very low	32.3	Very low	191 Å²	191	130.2 Å²	130.2	94%	0.941	73%	0.733	S	S	*	*			trans	-4.4	123.4	159.7	-58.3	169.6	-178.3	0	0	116.6
914	Y	25.6	Very low	32.2	Very low	201 Å²	201	127.6 Å²	127.6	79%	0.788	72%	0.724	S	S	*	*			trans	-106.2	122.8	156.1	-87.4	-86.4	0	0	0	109.1
915	D	27	Very low	32.5	Very low	105 Å²	105	128 Å²	128	56%	0.561	73%	0.725	S	S	*	*			trans	-77.3	132.8	166.1	-174.4	-17.3	0	0	0	108.5	R917	D915-R917 PolarHBondContact O-N 2.89Å; D915-R917 PolarHBondContact OD1-N 3.39Å; D915-R917 VanDerWaalsContact OD1-N 3.09Å
916	A	30	Very low	32.8	Very low	84 Å²	84	135 Å²	135	69%	0.694	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-1	-179	0	0	0	0	0	114
917	R	32.8	Very low	32.9	Very low	200 Å²	200	138.9 Å²	138.9	76%	0.755	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-32	179.8	-78.6	179	153.6	173.5	-6.5	115.8	D915 A919	D915-R917 PolarHBondContact O-N 2.89Å; D915-R917 PolarHBondContact OD1-N 3.39Å; D915-R917 VanDerWaalsContact OD1-N 3.09Å; R917-A919 VanDerWaalsContact C-N 3.28Å; R917-A919 PolarHBondContact O-N 2.76Å
918	E	34.6	Very low	33	Very low	144 Å²	144	140.1 Å²	140.1	67%	0.673	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-72.8	-20.6	-177.3	-74.3	-170.5	135.2	0	0	113.5	L920	E918-L920 PolarHBondContact O-N 3.5Å; E918-L920 VanDerWaalsContact O-N 3.08Å
919	A	37	Very low	32.7	Very low	91 Å²	91	136 Å²	136	75%	0.752	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-72.8	5	178.9	0	0	0	0	0	114.8	R917	R917-A919 VanDerWaalsContact C-N 3.28Å; R917-A919 PolarHBondContact O-N 2.76Å
920	L	35.8	Very low	32.6	Very low	146 Å²	146	132.4 Å²	132.4	76%	0.764	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-119.9	12.6	-174.6	-68.7	172.2	0	0	0	114	E918	E918-L920 PolarHBondContact O-N 3.5Å; E918-L920 VanDerWaalsContact O-N 3.08Å
921	I	35.4	Very low	32.4	Very low	118 Å²	118	134.4 Å²	134.4	61%	0.605	74%	0.742	S	S	*	*	S	Bend	trans	-99.5	116.4	174.5	-55.3	178	0	0	0	109.4
922	P	27.9	Very low	32.4	Very low	124 Å²	124	132 Å²	132	81%	0.805	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	138.2	172.4	-22	34	0	0	0	111.6
923	G	42.6	Very low	32.4	Very low	66 Å²	66	140.7 Å²	140.7	68%	0.68	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.7	14.7	-177.4	0	0	0	0	0	115.7
924	S	32	Very low	32.1	Very low	68 Å²	68	137 Å²	137	48%	0.476	75%	0.75	S	S	.	*			trans	-62.6	155.6	171.8	-173.8	0	0	0	0	112.7	Y926 D927	S924-Y926 PolarHBondContact O-N 3.46Å; S924-D927 WeakPolarHBondContact O-CB 3.29Å; S924-D927 PolarHBondContact O-N 3.4Å
925	V	34.6	Very low	32.1	Very low	136 Å²	136	133.3 Å²	133.3	82%	0.824	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-56.3	-21.8	-168	-179	0	0	0	0	114.5	D927	V925-D927 VanDerWaalsContact C-N 3.28Å; V925-D927 PolarHBondContact O-N 3.22Å
926	Y	37.1	Very low	32.1	Very low	215 Å²	215	135.9 Å²	135.9	84%	0.843	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-74.9	-9.7	178.2	-70.5	-81.5	0	0	0	114.8	S924 R928	S924-Y926 PolarHBondContact O-N 3.46Å; Y926-R928 VanDerWaalsContact C-N 3.3Å; Y926-R928 PolarHBondContact O-N 3.39Å
927	D	34.3	Very low	31.9	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-89.6	19	-173.3	-146.3	12.2	0	0	0	113.9	S924 V925	S924-D927 WeakPolarHBondContact O-CB 3.29Å; S924-D927 PolarHBondContact O-N 3.4Å; V925-D927 VanDerWaalsContact C-N 3.28Å; V925-D927 PolarHBondContact O-N 3.22Å
928	R	34.5	Very low	31.6	Very low	238 Å²	238	140.3 Å²	140.3	90%	0.898	78%	0.777	S	S	*	*			trans	-141.2	68.2	-179.8	-74.8	-165.8	174.1	-168.2	-0.2	114.4	Y926	Y926-R928 VanDerWaalsContact C-N 3.3Å; Y926-R928 PolarHBondContact O-N 3.39Å
929	S	30.2	Very low	31.2	Very low	118 Å²	118	142 Å²	142	83%	0.825	78%	0.783	S	S	*	*			trans	-151.6	48.7	164.1	53.1	0	0	0	0	113.4
930	S	30.4	Very low	30.6	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	79%	0.787	S	S	*	*	S	Bend	trans	-136.2	148.9	168.3	-173.3	0	0	0	0	110.8
931	T	31.3	Very low	30.2	Very low	147 Å²	147	143.6 Å²	143.6	90%	0.902	78%	0.777	S	S	*	*			trans	64.3	157.8	-165.4	75.2	0	0	0	0	114.2
932	G	27.3	Very low	29.8	Very low	67 Å²	67	146 Å²	146	69%	0.691	79%	0.785	S	S	*	*			trans	-166.6	-157	-173.3	0	0	0	0	0	112.9
933	R	27.6	Very low	29.8	Very low	258 Å²	258	146.3 Å²	146.3	97%	0.974	78%	0.78	S	S	*	*			trans	114.9	150.5	-169.4	-74.4	-178.2	168.8	-163	-4.1	111.7
934	S	27.3	Very low	29.1	Very low	115 Å²	115	151.5 Å²	151.5	80%	0.804	79%	0.787	S	S	*	*			trans	-84.3	150.9	-168.2	-29.2	0	0	0	0	113.2
935	S	25.3	Very low	29	Very low	123 Å²	123	155.5 Å²	155.5	86%	0.86	80%	0.801	S	S	*	*			trans	-174.4	155.8	136.6	-80.8	0	0	0	0	111.3
936	N	25.9	Very low	28.6	Very low	158 Å²	158	152.8 Å²	152.8	85%	0.845	80%	0.801	S	S	*	*			trans	-68.6	153.8	173.4	-63.9	-22.6	0	0	0	111.6
937	M	25.6	Very low	28.2	Very low	181 Å²	181	149.9 Å²	149.9	89%	0.892	80%	0.797	S	S	*	*				-175.7	166.7	114.1	-99.3	-170.1	81.3	0	0	114.4
938	Y	26.2	Very low	28	Very low	197 Å²	197	150.6 Å²	150.6	77%	0.773	80%	0.799	S	S	*	*			trans	-64.8	159.5	-172.2	-87.7	-116.2	0	0	0	116.7
939	F	26.8	Very low	27.5	Very low	179 Å²	179	142.4 Å²	142.4	79%	0.785	79%	0.789	S	S	*	*			trans	19	133.9	140.3	-84.1	-101.7	0	0	0	119.7
940	Q	24.9	Very low	28.3	Very low	180 Å²	180	143.3 Å²	143.3	84%	0.841	79%	0.792	S	S	*	*				-172.6	160.3	90.8	-124.4	170.6	-17.6	0	0	115.6
941	T	26.8	Very low	28.1	Very low	90 Å²	90	141.8 Å²	141.8	55%	0.552	79%	0.792	S	S	*	*			trans	-57.6	148.8	175.2	45.6	0	0	0	0	116.8
942	H	28	Very low	29.2	Very low	168 Å²	168	141.1 Å²	141.1	78%	0.778	79%	0.79	S	S	*	*				179.3	165.5	100.9	-101.7	-56.9	0	0	0	115.6
943	D	28.1	Very low	29.2	Very low	131 Å²	131	147.2 Å²	147.2	70%	0.701	80%	0.804	S	S	*	*			trans	-92.8	165.2	-171.2	-37.3	-98.6	0	0	0	113.8
944	Q	27	Very low	29.3	Very low	176 Å²	176	139.2 Å²	139.2	82%	0.822	79%	0.793	S	S	*	*				179.7	122.9	104.7	-94.5	-172	2.1	0	0	114.9
945	I	30.3	Very low	29.4	Very low	152 Å²	152	138.8 Å²	138.8	78%	0.779	79%	0.79	S	S	*	*				39.1	128.8	123.4	-53.9	173	0	0	0	119.5
946	G	25.6	Very low	29.4	Very low	79 Å²	79	140.9 Å²	140.9	81%	0.814	79%	0.788	S	S	*	*			trans	-165.4	26.5	177.6	0	0	0	0	0	120.1
947	M	30	Very low	29.4	Very low	154 Å²	154	139.1 Å²	139.1	76%	0.759	78%	0.778	S	S	*	*			trans	-3	128.8	172.2	-65.8	-64.2	-122.1	0	0	123.9
948	I	28.4	Very low	29.4	Very low	147 Å²	147	137.6 Å²	137.6	75%	0.754	77%	0.772	S	S	*	*			trans	77.1	142.7	131.9	-63.9	171.7	0	0	0	121.3
949	G	25.4	Very low	30.1	Very low	66 Å²	66	133 Å²	133	68%	0.68	77%	0.766	S	S	*	*			trans	-96.1	-132.3	173.1	0	0	0	0	0	113.6
950	P	45.3	Very low	30.2	Very low	137 Å²	137	133.3 Å²	133.3	89%	0.89	77%	0.768	S	S	*	*			cis	-134.7	-170.7	-2.2	43.8	-26.8	0	0	0	114.6
951	G	26.6	Very low	30.3	Very low	72 Å²	72	130.7 Å²	130.7	74%	0.742	76%	0.76	S	S	*	*			trans	134.9	138.3	154.6	0	0	0	0	0	118.3
952	P	55.4	Low	30.5	Very low	133 Å²	133	133.3 Å²	133.3	86%	0.864	77%	0.769	S	S	*	*			trans	-113	164	178	40.6	-32.7	0	0	0	115.6
953	M	27.7	Very low	30.5	Very low	196 Å²	196	131.5 Å²	131.5	97%	0.966	77%	0.77	S	S	*	*			trans	-148.7	167.1	173.9	-94.9	-75.3	-167.4	0	0	111.2
954	A	28	Very low	30.7	Very low	90 Å²	90	133.8 Å²	133.8	74%	0.744	78%	0.778	S	S	*	*			trans	-150.2	164.8	-170.4	0	0	0	0	0	116.7
955	S	29.2	Very low	31.4	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	78%	0.775	S	S	*	*			trans	87.5	149.1	152.8	81.5	0	0	0	0	122.1
956	M	26.2	Very low	32.3	Very low	166 Å²	166	128.8 Å²	128.8	82%	0.818	77%	0.771	S	S	*	*			trans	69.8	151.6	157.4	-69.6	-159.7	-173.1	0	0	119.8
957	N	25.5	Very low	32.5	Very low	122 Å²	122	133.1 Å²	133.1	65%	0.652	77%	0.772	S	S	*	*			cis	-168.9	132.8	-22.4	-118.3	-7.6	0	0	0	112.3
958	I	25.8	Very low	32.9	Very low	149 Å²	149	130.8 Å²	130.8	76%	0.764	77%	0.769	S	S	*	*			trans	41.1	175.7	148.5	26.4	174.3	0	0	0	122.6
959	P	41.1	Very low	34	Very low	99 Å²	99	129.1 Å²	129.1	64%	0.643	77%	0.768	S	S	*	*			cis	-139.1	178.9	-25	35.3	-15.1	0	0	0	117.6
960	F	28	Very low	35.3	Very low	186 Å²	186	132 Å²	132	82%	0.816	77%	0.774	S	S	*	*			trans	91	121.6	136.7	-97.1	-56.5	0	0	0	126
961	N	28.5	Very low	34.5	Very low	126 Å²	126	129 Å²	129	67%	0.674	77%	0.768	S	S	*	*				90.2	116.7	129.5	-127.4	8.4	0	0	0	123.6
962	L	29.5	Very low	34.6	Very low	144 Å²	144	136.4 Å²	136.4	75%	0.754	78%	0.775	S	S	*	*				164.4	117.8	112.1	-85.7	172.1	0	0	0	116.2
963	V	28.4	Very low	33.4	Very low	130 Å²	130	138.1 Å²	138.1	79%	0.788	78%	0.776	S	S	*	*			trans	55.4	130.2	133	-179.4	0	0	0	0	123.9
964	M	32.8	Very low	33.4	Very low	179 Å²	179	132.6 Å²	132.6	88%	0.882	77%	0.769	S	S	*	*			trans	-105.1	161.7	159.6	-91	-166.7	178.5	0	0	110.2
965	P	42.7	Very low	33.5	Very low	115 Å²	115	137.3 Å²	137.3	75%	0.747	78%	0.776	S	S	*	*				-158.8	-142.6	61.6	45.3	-20.9	0	0	0	113.8
966	P	48.2	Very low	33.4	Very low	109 Å²	109	137.2 Å²	137.2	71%	0.708	77%	0.771	S	S	*	*			cis	-130.9	156.2	-32.6	32.9	-13.5	0	0	0	117.7
967	M	29.2	Very low	33.4	Very low	169 Å²	169	137.8 Å²	137.8	83%	0.833	77%	0.771	S	S	*	*				14.8	164.9	125.6	-70.1	-89	-78	0	0	123.5
968	P	39.7	Very low	33.5	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	78%	0.777	S	S	*	*			cis	-143.5	-119.6	-26.6	45.5	-22.1	0	0	0	116.3
969	P	51.4	Low	35	Very low	112 Å²	112	136 Å²	136	73%	0.727	78%	0.777	S	S	*	*			trans	-127.2	-139.5	-162.6	41.9	-15	0	0	0	113.2
970	P	52	Low	35.9	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	78%	0.781	S	S	*	*			cis	-133.9	-162.5	-23	41.7	-21.8	0	0	0	114.8
971	G	27.8	Very low	36.2	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	78%	0.784	S	S	*	*			trans	-178.3	156.1	167.6	0	0	0	0	0	117.4
972	Y	28.9	Very low	36.2	Very low	228 Å²	228	130.6 Å²	130.6	89%	0.894	79%	0.791	S	S	*	*			trans	-152	171.4	-177.4	-138.1	-95.9	0	0	0	112.1
973	L	30.6	Very low	36.3	Very low	170 Å²	170	135.9 Å²	135.9	89%	0.89	80%	0.8	S	S	*	*			trans	76.2	144.2	172.5	-66	163.6	0	0	0	119.1
974	G	27.9	Very low	36.4	Very low	80 Å²	80	133.6 Å²	133.6	83%	0.825	80%	0.803	S	S	*	*			trans	151.3	132.7	175.2	0	0	0	0	0	112.6
975	Q	29.9	Very low	36.3	Very low	188 Å²	188	129.3 Å²	129.3	88%	0.879	81%	0.805	S	S	*	*			trans	-142.9	171.3	-170.6	-165.7	-166	37.5	0	0	111.1
976	V	27.7	Very low	35.7	Very low	105 Å²	105	127.6 Å²	127.6	64%	0.636	81%	0.809	S	S	*	*			trans	101.6	114	153.5	-168.9	0	0	0	0	119
977	H	26.3	Very low	34.7	Very low	178 Å²	178	131.6 Å²	131.6	82%	0.824	82%	0.82	S	S	*	*			trans	81.7	156.3	148.6	-77.6	27.4	0	0	0	124
978	C	27.3	Very low	35	Very low	115 Å²	115	133.7 Å²	133.7	78%	0.777	82%	0.824	S	S	*	*			trans	-128.9	-166.3	177.7	-45.7	0	0	0	0	108
979	P	58.1	Low	34.5	Very low	119 Å²	119	131.8 Å²	131.8	77%	0.773	83%	0.825	S	S	*	*			cis	-118	-132	-38.3	32.4	-9.4	0	0	0	107.5
980	P	59.4	Low	33.7	Very low	112 Å²	112	136.9 Å²	136.9	73%	0.727	84%	0.835	S	S	*	*			cis	-135.3	-174.1	-25.9	39.6	-20.9	0	0	0	116.3
981	A	33.5	Very low	32.7	Very low	106 Å²	106	135.7 Å²	135.7	88%	0.876	84%	0.836	S	S	*	*			trans	81.9	155.4	145.7	0	0	0	0	0	121.7
982	G	28.4	Very low	32.8	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	84%	0.837	S	S	*	*			trans	151.7	126.8	170.9	0	0	0	0	0	114.6
983	R	33.1	Very low	32.8	Very low	255 Å²	255	129.3 Å²	129.3	96%	0.962	84%	0.84	S	S	*	*			trans	-123.3	141.8	175.8	-87.5	-179.4	167	-177	-2.6	111.5
984	G	30.1	Very low	32.7	Very low	82 Å²	82	125.3 Å²	125.3	85%	0.845	84%	0.84	S	S	*	*				104.5	147.5	114.9	0	0	0	0	0	121.3
985	G	30.2	Very low	32.8	Very low	90 Å²	90	124.9 Å²	124.9	93%	0.928	84%	0.835	S	S	*	*			trans	92	140.1	159.5	0	0	0	0	0	116.9
986	G	30.1	Very low	33.1	Very low	79 Å²	79	122.7 Å²	122.7	81%	0.814	83%	0.834	S	S	*	*			cis	133.7	106.7	-22.3	0	0	0	0	0	116.9
987	M	28.1	Very low	33.3	Very low	193 Å²	193	129.2 Å²	129.2	95%	0.951	85%	0.847	S	S	*	*			trans	-165	169.1	169.1	-102.8	-175.5	169.3	0	0	111.9
988	K	34	Very low	33.5	Very low	212 Å²	212	124.5 Å²	124.5	92%	0.922	85%	0.847	S	S	*	*				-164.2	138	-66.5	-151.7	176.4	-173.5	177.8	0	111.9
989	G	29.1	Very low	33.6	Very low	67 Å²	67	122.9 Å²	122.9	69%	0.691	85%	0.85	S	S	*	*			trans	152.2	114	168.8	0	0	0	0	0	112.9
990	K	34.3	Very low	32.3	Very low	218 Å²	218	128.7 Å²	128.7	95%	0.948	86%	0.856	S	S	*	*				60.9	132.3	88.3	-78.6	-166.7	175.1	-173.8	0	114.5
991	A	31.5	Very low	31	Very low	101 Å²	101	130.7 Å²	130.7	84%	0.835	86%	0.856	S	S	*	*			cis	-168.9	166.7	-12.2	0	0	0	0	0	108.4
992	G	29.3	Very low	30.9	Very low	76 Å²	76	136 Å²	136	78%	0.784	85%	0.853	S	S	*	*			cis	168.1	157.6	-7.6	0	0	0	0	0	113.2
993	G	29.9	Very low	30.9	Very low	92 Å²	92	136.9 Å²	136.9	95%	0.948	85%	0.847	S	S	*	*			trans	83.2	146.3	174.9	0	0	0	0	0	115.8
994	G	29.1	Very low	30.7	Very low	86 Å²	86	136.8 Å²	136.8	89%	0.887	85%	0.847	S	S	*	*			cis	167.7	153	-8	0	0	0	0	0	109.4
995	G	30.5	Very low	30.6	Very low	70 Å²	70	136.7 Å²	136.7	72%	0.722	85%	0.846	S	S	*	*			cis	178.4	-164.9	-2.3	0	0	0	0	0	110.4
996	V	34.8	Very low	30.7	Very low	143 Å²	143	142.1 Å²	142.1	87%	0.867	85%	0.849	S	S	*	*			trans	72.6	135.1	164.6	178.5	0	0	0	0	116.6
997	R	32.9	Very low	30.6	Very low	241 Å²	241	142.1 Å²	142.1	91%	0.909	85%	0.849	S	S	*	*			cis	-162.1	158.9	-10.8	-118	-178.7	-178.9	173.3	-0.5	112.2
998	G	30.1	Very low	30.7	Very low	80 Å²	80	139.5 Å²	139.5	83%	0.825	84%	0.839	S	S	*	*			trans	97.9	139.7	160.3	0	0	0	0	0	116.2
999	G	29.8	Very low	30.6	Very low	80 Å²	80	137.9 Å²	137.9	83%	0.825	84%	0.835	S	S	*	*			cis	101.2	128.1	-0.4	0	0	0	0	0	113.3
1000	R	30.7	Very low	30.5	Very low	241 Å²	241	138.6 Å²	138.6	91%	0.909	84%	0.842	S	S	*	*			cis	-143.3	159.7	15.5	-83.5	173.4	165.8	166.9	-5.8	109.9
1001	Q	31.9	Very low	30.1	Very low	155 Å²	155	132.2 Å²	132.2	72%	0.724	84%	0.838	S	S	*	*				40.2	140	84.7	-81.2	-168.9	26.6	0	0	115.4
1002	R	30.7	Very low	29.9	Very low	216 Å²	216	131.2 Å²	131.2	82%	0.815	84%	0.837	S	S	*	*			cis	-162.5	143	22.5	-116.2	167.1	-167.9	-155	-1.5	109.4
1003	S	27.9	Very low	29.9	Very low	97 Å²	97	133.8 Å²	133.8	68%	0.678	84%	0.844	S	S	*	*				77.7	117.8	91.2	179.9	0	0	0	0	120.3
1004	R	30.4	Very low	29.7	Very low	254 Å²	254	132.8 Å²	132.8	96%	0.958	83%	0.833	S	S	*	*			trans	58.6	139	148.5	-74.1	-176.6	168.5	-175.9	-3.6	122.4
1005	G	27.9	Very low	29.8	Very low	80 Å²	80	137.1 Å²	137.1	83%	0.825	83%	0.83	S	S	*	*			trans	-176	147.3	158.3	0	0	0	0	0	113.1
1006	M	31.4	Very low	29.8	Very low	203 Å²	203	142 Å²	142	100%	1	83%	0.834	S	S	*	*			trans	-125.8	157.1	174.1	-77.6	169.6	60.8	0	0	110.1
1007	G	28.2	Very low	29.5	Very low	79 Å²	79	138 Å²	138	81%	0.814	82%	0.822	S	S	*	*			trans	-170.3	155.1	173	0	0	0	0	0	112.9
1008	N	30.3	Very low	29.3	Very low	139 Å²	139	134.5 Å²	134.5	74%	0.743	82%	0.82	S	S	*	*			trans	-154.4	169.6	-174.3	-170	23.9	0	0	0	112.1
1009	H	32.1	Very low	29.2	Very low	178 Å²	178	138.6 Å²	138.6	82%	0.824	82%	0.82	S	S	*	*			trans	72.5	155.3	-174.9	-44.8	-59.5	0	0	0	114.4
1010	G	27.1	Very low	29.1	Very low	81 Å²	81	140.4 Å²	140.4	84%	0.835	82%	0.82	S	S	*	*			cis	153.3	154.5	-3.3	0	0	0	0	0	110.2
1011	G	26.4	Very low	28.9	Very low	85 Å²	85	131.7 Å²	131.7	88%	0.876	81%	0.805	S	S	*	*			cis	168.4	146.3	-7.1	0	0	0	0	0	112.4
1012	G	25.9	Very low	28.7	Very low	79 Å²	79	129.1 Å²	129.1	81%	0.814	80%	0.804	S	S	*	*			trans	99.7	165.2	-178.7	0	0	0	0	0	115.5
1013	S	29.3	Very low	28.6	Very low	131 Å²	131	128 Å²	128	92%	0.916	81%	0.808	S	S	*	*			cis	-174.6	149.7	-9.8	51	0	0	0	0	113.5
1014	G	26.1	Very low	28.6	Very low	71 Å²	71	127.1 Å²	127.1	73%	0.732	81%	0.807	S	S	*	*			trans	137.5	116.4	166.1	0	0	0	0	0	114.3
1015	Q	32.1	Very low	28.6	Very low	177 Å²	177	119.2 Å²	119.2	83%	0.827	79%	0.791	S	S	*	*				69.2	134.4	75.6	-89.7	-177.5	-11	0	0	114.8
1016	H	30.3	Very low	28.7	Very low	171 Å²	171	123.5 Å²	123.5	79%	0.792	79%	0.789	S	S	*	*			cis	-136.5	171.7	2.6	-91.7	-96	0	0	0	109.2
1017	G	27.1	Very low	28.5	Very low	60 Å²	60	119.2 Å²	119.2	62%	0.619	77%	0.77	S	S	*	*			cis	162.6	176.2	-2.4	0	0	0	0	0	111.9
1018	L	29.1	Very low	28.4	Very low	167 Å²	167	123.3 Å²	123.3	87%	0.874	77%	0.773	S	S	*	*			trans	70.6	144.4	168.4	-61.8	168.6	0	0	0	118.2
1019	M	29.2	Very low	28.2	Very low	167 Å²	167	119.2 Å²	119.2	82%	0.823	76%	0.763	S	S	*	*			cis	-165.7	154.8	-18.2	-163	174.3	-175.2	0	0	112.1
1020	S	27.1	Very low	28.1	Very low	118 Å²	118	116.3 Å²	116.3	83%	0.825	76%	0.763	S	S	*	*			trans	69.7	146.5	160.8	-138.1	0	0	0	0	119.2
1021	G	25.7	Very low	28.2	Very low	57 Å²	57	120.9 Å²	120.9	59%	0.588	76%	0.762	S	S	*	*			cis	161.2	150.7	-12.2	0	0	0	0	0	114.4
1022	S	29.4	Very low	29.2	Very low	102 Å²	102	121.1 Å²	121.1	71%	0.713	75%	0.749	S	S	*	*			trans	58.6	124.1	165.4	37	0	0	0	0	118.5
1023	Q	28.3	Very low	29.2	Very low	192 Å²	192	126.7 Å²	126.7	90%	0.897	75%	0.751	S	S	*	*				64.4	147.4	85.2	-64.1	174.3	-28.6	0	0	113.8
1024	A	27.7	Very low	29.2	Very low	78 Å²	78	125.7 Å²	125.7	65%	0.645	74%	0.744	S	S	*	*			cis	-146.5	147.6	16.5	0	0	0	0	0	111.1
1025	S	30.2	Very low	29.3	Very low	89 Å²	89	131.7 Å²	131.7	62%	0.622	75%	0.753	S	S	*	*				81.6	117.6	104.3	74.1	0	0	0	0	115.6
1026	Q	29.9	Very low	29.1	Very low	170 Å²	170	126.7 Å²	126.7	79%	0.794	75%	0.749	S	S	*	*				91.1	148.9	96.8	-78.8	-170.1	-74.2	0	0	113.3
1027	D	26.9	Very low	29.8	Very low	113 Å²	113	124.2 Å²	124.2	60%	0.604	75%	0.748	S	S	*	*			cis	-160.2	179.8	-12.5	-134.3	-43.2	0	0	0	110.1
1028	L	26.8	Very low	29.9	Very low	164 Å²	164	128.8 Å²	128.8	86%	0.859	76%	0.757	S	S	*	*			trans	51	140.7	150.1	-71.6	154.6	0	0	0	120.2
1029	G	26	Very low	29.9	Very low	53 Å²	53	127.1 Å²	127.1	55%	0.546	75%	0.754	S	S	.	*			cis	165.8	179.5	1.3	0	0	0	0	0	111.3
1030	S	29.7	Very low	30.1	Very low	117 Å²	117	128.8 Å²	128.8	82%	0.818	76%	0.76	S	S	*	*			trans	57.4	120.6	172.3	44.2	0	0	0	0	118.3
1031	Q	28.3	Very low	30.1	Very low	177 Å²	177	126.8 Å²	126.8	83%	0.827	76%	0.758	S	S	*	*				61.6	144.8	50	-66.4	-103.5	-14.4	0	0	114.8
1032	P	47.3	Very low	30.2	Very low	90 Å²	90	134.3 Å²	134.3	58%	0.584	77%	0.77	S	S	*	*			cis	-142.8	-153.5	-36.4	36.5	-14.8	0	0	0	112.5
1033	F	26	Very low	30.2	Very low	197 Å²	197	137.6 Å²	137.6	86%	0.864	78%	0.778	S	S	*	*			trans	71.3	158.6	167.7	-77	-61.5	0	0	0	117.5
1034	S	29.1	Very low	30.1	Very low	110 Å²	110	133.6 Å²	133.6	77%	0.769	77%	0.767	S	S	*	*			cis	-147.8	179	-1.6	50	0	0	0	0	113
1035	Q	28.3	Very low	30.2	Very low	197 Å²	197	138.5 Å²	138.5	92%	0.921	78%	0.779	S	S	*	*			trans	-66.6	161.2	171.2	-56.8	165.3	-13.7	0	0	113.2
1036	G	27.9	Very low	30.1	Very low	72 Å²	72	140.2 Å²	140.2	74%	0.742	79%	0.791	S	S	*	*			trans	176	127.7	166.7	0	0	0	0	0	114
1037	P	46.8	Very low	30.1	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	79%	0.794	S	S	*	*			trans	-129	179.3	-172.4	44.1	-32.4	0	0	0	117
1038	L	28.7	Very low	30.9	Very low	156 Å²	156	140.3 Å²	140.3	82%	0.817	80%	0.797	S	S	*	*			trans	84.4	155.4	147.8	-85.2	168.4	0	0	0	123.3
1039	T	28	Very low	31	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	79%	0.789	S	S	*	*			trans	85.4	153.8	154.4	35.9	0	0	0	0	122.6
1040	Q	34.8	Very low	31.3	Very low	201 Å²	201	142.8 Å²	142.8	94%	0.939	80%	0.8	S	S	*	*			trans	-101.1	168.1	-169.7	-58.5	160.2	-70.1	0	0	112.2
1041	G	25.7	Very low	31.2	Very low	77 Å²	77	145.1 Å²	145.1	79%	0.794	80%	0.8	S	S	*	*			trans	-150.5	140	168.5	0	0	0	0	0	113.2
1042	Y	28.1	Very low	31.2	Very low	214 Å²	214	141.8 Å²	141.8	84%	0.839	80%	0.797	S	S	*	*			trans	-85.6	165.4	177.1	-95	-107.4	0	0	0	112.7
1043	I	29.5	Very low	30.6	Very low	171 Å²	171	146.1 Å²	146.1	88%	0.877	81%	0.809	S	S	*	*			trans	-156.5	159	144.3	-102.1	149.2	0	0	0	109.2
1044	T	25.8	Very low	31.1	Very low	109 Å²	109	142.9 Å²	142.9	67%	0.669	81%	0.808	S	S	*	*			trans	-134.3	155.4	-161.3	49.7	0	0	0	0	115.3
1045	M	29.6	Very low	31.1	Very low	180 Å²	180	140.5 Å²	140.5	89%	0.887	80%	0.801	S	S	*	*			trans	65.7	130.1	150.4	-77.8	-71.2	-164.3	0	0	121
1046	S	28.4	Very low	31.2	Very low	125 Å²	125	139.5 Å²	139.5	87%	0.874	80%	0.801	S	S	*	*			trans	-171.4	152.7	133.7	23.7	0	0	0	0	113.6
1047	Q	30.9	Very low	31.2	Very low	183 Å²	183	141.8 Å²	141.8	86%	0.855	81%	0.806	S	S	*	*			trans	-146	166.2	167.7	-124	-163.9	30	0	0	105.8
1048	P	44.1	Very low	30.6	Very low	103 Å²	103	145.1 Å²	145.1	67%	0.669	81%	0.811	S	S	*	*				-155.6	-168.3	53.7	40.7	-17.2	0	0	0	117.4
1049	S	29.1	Very low	31.2	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	81%	0.806	S	S	*	*			trans	69.7	146.2	149.2	56.8	0	0	0	0	121.2
1050	Q	30.5	Very low	31.3	Very low	169 Å²	169	144.7 Å²	144.7	79%	0.79	81%	0.805	S	S	*	*			cis	-165.1	150.7	-14.4	-116.7	-177.5	0.3	0	0	112.3
1051	M	27.6	Very low	31.1	Very low	166 Å²	166	141 Å²	141	82%	0.818	79%	0.791	S	S	*	*			trans	64.4	155.4	152.5	-65.1	-178.8	76.3	0	0	119.2
1052	S	29.8	Very low	31.3	Very low	108 Å²	108	142.2 Å²	142.2	76%	0.755	79%	0.787	S	S	*	*			cis	-146.4	166.6	3.7	43.9	0	0	0	0	113.4
1053	Q	34.5	Very low	31.4	Very low	180 Å²	180	139.9 Å²	139.9	84%	0.841	78%	0.784	S	S	*	*			trans	-117.1	156.2	161.8	-96.2	-161.3	5.9	0	0	109.8
1054	P	36.9	Very low	31.3	Very low	129 Å²	129	139.3 Å²	139.3	84%	0.838	78%	0.783	S	S	*	*				-140.6	176.1	96.8	38.3	-24.2	0	0	0	113
1055	G	27.6	Very low	31.5	Very low	60 Å²	60	138.6 Å²	138.6	62%	0.619	78%	0.782	S	S	*	*			cis	157.5	127.1	-9.7	0	0	0	0	0	113.4
1056	L	30.5	Very low	31.5	Very low	176 Å²	176	141.3 Å²	141.3	92%	0.921	78%	0.784	S	S	*	*			trans	55.6	122	161.3	-64.7	170	0	0	0	121.4
1057	S	28.7	Very low	31.7	Very low	121 Å²	121	143.4 Å²	143.4	85%	0.846	79%	0.785	S	S	*	*				-171.1	136.7	120.3	27.4	0	0	0	0	113.4
1058	Q	33.4	Very low	31.7	Very low	188 Å²	188	137.5 Å²	137.5	88%	0.879	77%	0.773	S	S	*	*			trans	-120.6	154.9	153.3	-89.1	-165.2	-15.8	0	0	106.2
1059	P	42.6	Very low	31.1	Very low	109 Å²	109	140.1 Å²	140.1	71%	0.708	78%	0.781	S	S	*	*				-148.7	157.4	93.4	40.9	-24.5	0	0	0	115.8
1060	E	30.4	Very low	31.2	Very low	171 Å²	171	143.9 Å²	143.9	80%	0.799	79%	0.788	S	S	*	*				46	156.6	129.1	-61.1	-174.6	159.2	0	0	122
1061	L	29.3	Very low	31.3	Very low	124 Å²	124	144.1 Å²	144.1	65%	0.649	79%	0.787	S	S	*	*			cis	-157.9	-166.7	5.3	-128.8	166.7	0	0	0	111.2
1062	S	30.6	Very low	31.2	Very low	102 Å²	102	145.5 Å²	145.5	71%	0.713	79%	0.788	S	S	*	*			trans	71	116.9	-175.4	66.1	0	0	0	0	114.9
1063	Q	30.6	Very low	31.5	Very low	164 Å²	164	144.9 Å²	144.9	77%	0.766	78%	0.784	S	S	*	*			cis	65.6	124.6	44	-55.3	-178.6	-27.5	0	0	111.3
1064	D	27.5	Very low	31.1	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	79%	0.785	S	S	*	*				-138.2	-179.1	56.5	-135.5	-33.9	0	0	0	116.5
1065	S	29.1	Very low	30.8	Very low	94 Å²	94	145.3 Å²	145.3	66%	0.657	78%	0.777	S	S	*	*			trans	-120.5	163.2	-166.4	-46.9	0	0	0	0	114.7
1066	Y	28.7	Very low	30.9	Very low	237 Å²	237	149.3 Å²	149.3	93%	0.929	79%	0.785	S	S	*	*			trans	-160.9	154.8	134.3	-118	-79.5	0	0	0	112.9
1067	L	33.8	Very low	30.8	Very low	170 Å²	170	147.4 Å²	147.4	89%	0.89	78%	0.78	S	S	*	*			trans	-101	169.3	-175.4	-66.3	158.5	0	0	0	111.2
1068	G	30.6	Very low	30.9	Very low	59 Å²	59	146 Å²	146	61%	0.608	78%	0.776	S	S	*	*			cis	172	-162.3	1	0	0	0	0	0	112.6
1069	D	30.6	Very low	30.6	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	78%	0.775	S	S	*	*			trans	68	147	170.8	-63.1	-28.5	0	0	0	119.4
1070	E	31.1	Very low	30.1	Very low	178 Å²	178	144 Å²	144	83%	0.832	77%	0.772	S	S	*	*			cis	-141.9	179	4.1	-138.6	-171.6	159.1	0	0	114.1
1071	F	33.3	Very low	30	Very low	174 Å²	174	143.6 Å²	143.6	76%	0.763	77%	0.77	S	S	*	*			trans	-72.7	176.3	-174.8	-87.3	-102.9	0	0	0	114.1
1072	K	26.4	Very low	30	Very low	196 Å²	196	143.9 Å²	143.9	85%	0.852	77%	0.772	S	S	*	*			cis	-163.6	176.8	34.9	-143.2	149.2	-166.5	166.8	0	113.2
1073	S	34.4	Very low	30.1	Very low	94 Å²	94	143.5 Å²	143.5	66%	0.657	77%	0.77	S	S	*	*			trans	-131.7	160.4	-175.1	57.2	0	0	0	0	113.8
1074	Q	28.1	Very low	30.1	Very low	185 Å²	185	141.6 Å²	141.6	86%	0.864	77%	0.769	S	S	*	*			trans	163.9	166.2	150.1	-93.4	169	-3.8	0	0	110.9
1075	I	29.3	Very low	30.3	Very low	133 Å²	133	142.9 Å²	142.9	68%	0.682	76%	0.764	S	S	*	*				-176.5	153.7	-52.9	-105.7	168.7	0	0	0	109.7
1076	D	30.9	Very low	30.3	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	77%	0.769	S	S	*	*			trans	62.8	140.9	164.6	-67.2	-21.4	0	0	0	123.9
1077	V	28.4	Very low	30.2	Very low	137 Å²	137	138.8 Å²	138.8	83%	0.83	76%	0.764	S	S	*	*				157.8	133.1	111.8	167.1	0	0	0	0	113.7
1078	A	29.4	Very low	30.1	Very low	92 Å²	92	138 Å²	138	76%	0.76	76%	0.756	S	S	*	*			trans	64.6	98.1	154.5	0	0	0	0	0	124.1
1079	L	28.4	Very low	30.2	Very low	163 Å²	163	145.3 Å²	145.3	85%	0.853	77%	0.765	S	S	*	*			trans	-17.9	128	132.2	-70.6	162.9	0	0	0	121
1080	S	30.3	Very low	30.1	Very low	92 Å²	92	141.8 Å²	141.8	64%	0.643	76%	0.758	S	S	*	*				70.1	146.4	114.9	83.5	0	0	0	0	126.2
1081	Q	29.1	Very low	30.1	Very low	162 Å²	162	143 Å²	143	76%	0.757	76%	0.756	S	S	*	*			trans	95.5	108.4	146.3	-75.3	-171.7	-52	0	0	123.7
1082	D	29.8	Very low	29.9	Very low	129 Å²	129	144.1 Å²	144.1	69%	0.69	76%	0.763	S	S	*	*				78.8	117.1	115.7	-62	-0.5	0	0	0	125.6
1083	S	32.1	Very low	30.2	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	76%	0.76	S	S	*	*				94.7	115.7	120.2	-71.1	0	0	0	0	125
1084	T	30.3	Very low	29.8	Very low	124 Å²	124	141.3 Å²	141.3	76%	0.761	76%	0.76	S	S	*	*			trans	70.5	156.1	135.8	63.9	0	0	0	0	119.7
1085	Y	31.4	Very low	29.9	Very low	186 Å²	186	138.5 Å²	138.5	73%	0.729	76%	0.755	S	S	*	*			cis	-161.9	157.3	13.8	-147.1	-141.2	0	0	0	114.2
1086	Q	30.3	Very low	30	Very low	165 Å²	165	138.7 Å²	138.7	77%	0.771	76%	0.763	S	S	*	*			trans	45.4	145.5	149.5	-77.4	-174.8	-7.5	0	0	126.6
1087	G	25.9	Very low	29.9	Very low	80 Å²	80	135.2 Å²	135.2	83%	0.825	76%	0.761	S	S	*	*			trans	-170.8	146	158.8	0	0	0	0	0	110.5
1088	E	31.3	Very low	30.2	Very low	153 Å²	153	136.8 Å²	136.8	72%	0.715	76%	0.764	S	S	*	*			trans	-134.8	157.8	-159.9	-142.1	-162.9	-175.1	0	0	116
1089	R	33.1	Very low	30.2	Very low	213 Å²	213	137.4 Å²	137.4	80%	0.804	76%	0.763	S	S	*	*			trans	72.2	147.7	162	-64.7	177.4	-156.1	-143.6	-6.4	118.6
1090	A	29.5	Very low	30.4	Very low	83 Å²	83	137.3 Å²	137.3	69%	0.686	76%	0.758	S	S	*	*			cis	-161.3	153.8	-2	0	0	0	0	0	114.7
1091	Y	31.2	Very low	30.7	Very low	204 Å²	204	147.7 Å²	147.7	80%	0.8	79%	0.785	S	S	*	*			trans	21.8	128.6	151.4	-70.8	-88.2	0	0	0	123.9
1092	Q	27.5	Very low	30.8	Very low	196 Å²	196	147 Å²	147	92%	0.916	79%	0.786	S	S	*	*				-160.8	169.6	91.6	-119.5	-179.6	-1.5	0	0	113.3
1093	H	33.3	Very low	30.9	Very low	167 Å²	167	147.9 Å²	147.9	77%	0.773	79%	0.791	S	S	*	*			trans	-91.1	161.8	-169.2	-76.7	-77.2	0	0	0	114.7
1094	G	26.6	Very low	30.8	Very low	64 Å²	64	150.8 Å²	150.8	66%	0.66	80%	0.798	S	S	*	*			cis	154.5	-152.8	-4.2	0	0	0	0	0	114.2
1095	V	29.2	Very low	30.8	Very low	126 Å²	126	152.4 Å²	152.4	76%	0.764	80%	0.801	S	S	*	*			trans	71.6	83.4	172.1	-167.4	0	0	0	0	114.9
1096	T	32	Very low	30.8	Very low	138 Å²	138	150.3 Å²	150.3	85%	0.847	81%	0.805	S	S	*	*				56.2	135.1	82.5	68.4	0	0	0	0	115.4
1097	G	29.5	Very low	30.8	Very low	71 Å²	71	149.3 Å²	149.3	73%	0.732	81%	0.807	S	S	*	*			cis	-179.3	143.4	-2.5	0	0	0	0	0	108
1098	L	33.2	Very low	31.2	Very low	170 Å²	170	154.3 Å²	154.3	89%	0.89	81%	0.806	S	S	*	*				63.6	87.6	68.7	-92.2	175	0	0	0	116.2
1099	S	30.6	Very low	31.2	Very low	105 Å²	105	154.4 Å²	154.4	73%	0.734	81%	0.813	S	S	*	*				-165.9	128.2	128.7	-144.6	0	0	0	0	105.9
1100	Q	32.6	Very low	31	Very low	161 Å²	161	149.5 Å²	149.5	75%	0.752	81%	0.814	S	S	*	*				51.2	86	55.9	-73.1	-168.8	-24.1	0	0	112.7
1101	Y	37.1	Very low	31.2	Very low	309 Å²	309	155.5 Å²	155.5	100%	1.212	83%	0.825	S	S	*	*				-128.4	0	103.2	-94.4	-83.6	0	0	0	109

Retrieved 1,101 of 1,101 residues in 618.1 ms (Link to these results)

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