A0A096N174_PAPAN Loading...

Piwi-like protein 1

AlphaFold DB (E1AWN5), UniProt , Accession A0A096N174, Species PAPAN (Papio anubis, Olive baboon), Gene PIWIL1, Length 861 aa.

						>A0A096N174_PAPAN|A0A096N174|PIWIL1
MTGRARARARGRARGQETVPLVGSTASQQPGYIQPRSQQPPAEGELFGRGRQRGTVGGTAKSQELQISAGFQELSLAERGGRRRDFHDLGVNTRQNLDHVKESKTGSSGIIVRLSTNHFRLTSRPQWALYQYHIDYNPLMEARRLRSALLFQHEDLIGKCHAFDGTILFLPKRLQQKVTEVFSKTRNGEDVRITITLTNELPPTSPTCLQFYNIIFRRLLKIMNLQQIGRNYYNPNDPIDIPSHRLVIWPGFTTSILQYENSIMLCTDVSHKVLRSETVLDFMFNFYHQTEEHKFQEQVSKELIGLVVLTKYNNKTYRVDDIDWDQNPKSTFKKADGSEVSFLEYYRKQYNQEITDLKQPVLVSQPKRRRGPGGTLPGPAMLIPELCYLTGLTDKMRNDFNVMKDLAVHTRLTPEQRQREVGRLIDYIHKNDNVQRELRDWGLSFDSNLLSFSGRILQTEKIHQGGKTFDYNPQFADWSKETRGAPLISVKPLDNWLLIYTRRNYEAANSLIQNLFKVTPAMGMQMKKAIMIEVDDRTEAYLRVLQQKVTTDTQIVVCLLSSNRKDKYDAIKKYLCTDCPTPSQCVVARTLGKQQTVMAIATKIALQMNCKMGGELWRVDIPLKLAMIVGIDCYHDTTAGRRSIAGFVASINEGMTRWFSRCIFQDRGQELVDGLKVCLQAALRAWNSCNEYMPSRIIVYRDGVGDGQLKTLVNYEVPQFLDCLKSIGRGYNPRLTVIVVKKRVNARFFAQSGGRLQNPLPGTVIDVEVTRPEWYDFFIVSQAVRSGSVSPTHYNVIYDNSGLKPDHIQRLTYKLCHIYYNWPGVIRVPAPCQYAHKLAFLVGQSIHREPNLSLSNRLYYL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	29.4	Very low	230 Å²	230	158.2 Å²	158.2	100%	1.133	83%	0.83	S	S	*	*				0	97.5	0	-62.4	170.1	-168.2	0	0	106.6
2	T	28.9	Very low	29.4	Very low	143 Å²	143	166.6 Å²	166.6	88%	0.877	84%	0.842	S	S	*	*				62.7	120.4	82.9	58.5	0	0	0	0	112.3
3	G	29.6	Very low	29.3	Very low	76 Å²	76	160.4 Å²	160.4	78%	0.784	83%	0.832	S	S	*	*			cis	-167.3	-168.5	-1.7	0	0	0	0	0	107.6
4	R	32.2	Very low	29.4	Very low	248 Å²	248	167.3 Å²	167.3	94%	0.936	84%	0.842	S	S	*	*			cis	-165.7	140	19.4	-107.6	178.2	175.8	174.1	-0.4	109.7
5	A	30.9	Very low	29.2	Very low	81 Å²	81	160.7 Å²	160.7	67%	0.669	83%	0.833	S	S	*	*				71.5	151	127.4	0	0	0	0	0	120.2
6	R	29.9	Very low	29.2	Very low	243 Å²	243	161.4 Å²	161.4	92%	0.917	83%	0.831	S	S	*	*			cis	-163.7	169	3.2	-106.5	153.6	-174.8	-167.5	1.4	105.9
7	A	26.6	Very low	29.2	Very low	74 Å²	74	160.8 Å²	160.8	61%	0.612	82%	0.824	S	S	*	*			cis	179.4	156.6	-26.7	0	0	0	0	0	110.7
8	R	29.5	Very low	29.2	Very low	247 Å²	247	159.3 Å²	159.3	93%	0.932	82%	0.824	S	S	*	*			trans	67.7	162	152.1	-70.5	169.1	179.4	-168.9	-0.4	120.3
9	A	26.6	Very low	29.4	Very low	74 Å²	74	158.2 Å²	158.2	61%	0.612	82%	0.824	S	S	*	*			cis	179.2	160.8	-32.4	0	0	0	0	0	112.1
10	R	29.1	Very low	30.4	Very low	257 Å²	257	155.3 Å²	155.3	97%	0.97	82%	0.816	S	S	*	*			trans	69.2	146.9	158.2	-65.4	162.5	179.3	-168.6	-2.5	117.8
11	G	26.3	Very low	30.4	Very low	67 Å²	67	155.5 Å²	155.5	69%	0.691	82%	0.817	S	S	*	*			cis	158.6	169	-9.9	0	0	0	0	0	113.6
12	R	29.3	Very low	30.2	Very low	259 Å²	259	151 Å²	151	98%	0.977	80%	0.802	S	S	*	*			trans	54	155.4	161.9	-68.3	-178.7	172.7	-179.9	-3.8	119.6
13	A	28.6	Very low	30.2	Very low	86 Å²	86	146.9 Å²	146.9	71%	0.711	79%	0.788	S	S	*	*			cis	-178.4	169.2	-24.8	0	0	0	0	0	110.6
14	R	30.1	Very low	30.2	Very low	257 Å²	257	148.5 Å²	148.5	97%	0.97	79%	0.787	S	S	*	*			trans	86.9	149.1	156.7	-71.1	-174.3	165.8	-176.3	-5.7	122.7
15	G	26.5	Very low	30.1	Very low	69 Å²	69	143 Å²	143	71%	0.711	78%	0.781	S	S	*	*			trans	114.9	102.9	174.5	0	0	0	0	0	111.6
16	Q	30.4	Very low	30	Very low	171 Å²	171	143.8 Å²	143.8	80%	0.799	79%	0.788	S	S	*	*				52.8	135	56.4	-85.3	-168.7	-52.4	0	0	113.7
17	E	28.7	Very low	30	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	78%	0.777	S	S	*	*			cis	-166.5	177.9	-10.7	-148.1	166.2	-109.1	0	0	108.4
18	T	29.1	Very low	30.1	Very low	134 Å²	134	141.5 Å²	141.5	82%	0.822	79%	0.786	S	S	*	*			trans	103.5	140.8	167	71.5	0	0	0	0	121
19	V	33.2	Very low	30.1	Very low	138 Å²	138	138.1 Å²	138.1	84%	0.836	78%	0.781	S	S	*	*			trans	-140.9	176.1	179.6	-146.8	0	0	0	0	103.8
20	P	49.3	Very low	30.7	Very low	101 Å²	101	140 Å²	140	66%	0.656	79%	0.787	S	S	*	*			cis	-152	-162.9	21.5	39.8	-13.6	0	0	0	118.1
21	L	30.8	Very low	30.6	Very low	160 Å²	160	131 Å²	131	84%	0.838	77%	0.774	S	S	*	*			trans	76.2	137.5	158.7	-65.4	163.9	0	0	0	116.7
22	V	29.2	Very low	30.7	Very low	134 Å²	134	138.2 Å²	138.2	81%	0.812	78%	0.782	S	S	*	*			cis	-143	160	5.9	-176.1	0	0	0	0	107.4
23	G	29	Very low	30.6	Very low	57 Å²	57	132.8 Å²	132.8	59%	0.588	77%	0.771	S	S	*	*			cis	143.4	156.2	-4.8	0	0	0	0	0	112.6
24	S	29.1	Very low	30.8	Very low	110 Å²	110	136.8 Å²	136.8	77%	0.769	78%	0.775	S	S	*	*			trans	62.8	143.3	171.9	53.9	0	0	0	0	119.3
25	T	29.4	Very low	30.9	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	77%	0.768	S	S	*	*			cis	-162.9	159	-1.3	10.9	0	0	0	0	111.4
26	A	30.3	Very low	30.9	Very low	98 Å²	98	137.8 Å²	137.8	81%	0.81	77%	0.773	S	S	*	*			trans	23.5	145.2	147.4	0	0	0	0	0	121.2
27	S	29.5	Very low	30.7	Very low	97 Å²	97	134.7 Å²	134.7	68%	0.678	77%	0.771	S	S	*	*			cis	-156.3	-166.8	4	57	0	0	0	0	108.2
28	Q	28.7	Very low	30.6	Very low	172 Å²	172	136.3 Å²	136.3	80%	0.804	78%	0.778	S	S	*	*			cis	-154.6	-156.2	3	-147.2	140.1	-25.5	0	0	110.8
29	Q	28.1	Very low	30.5	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	78%	0.78	S	S	*	*			trans	-143.2	179.2	173.2	-83.6	-167	1.1	0	0	108.1
30	P	40.2	Very low	31	Very low	114 Å²	114	137.9 Å²	137.9	74%	0.74	78%	0.777	S	S	*	*			cis	-142	172.8	12.6	41.5	-22.5	0	0	0	118.7
31	G	26.1	Very low	30.2	Very low	68 Å²	68	138.4 Å²	138.4	70%	0.701	78%	0.781	S	S	*	*			trans	78.7	156.1	136.2	0	0	0	0	0	119.3
32	Y	28.2	Very low	29.9	Very low	218 Å²	218	135 Å²	135	86%	0.855	78%	0.776	S	S	*	*			cis	-168.7	157.1	-2.2	-125.9	-53.4	0	0	0	110.4
33	I	28.1	Very low	29.9	Very low	144 Å²	144	138.3 Å²	138.3	74%	0.738	78%	0.783	S	S	*	*			trans	70.8	122.5	153.7	-57.4	177.3	0	0	0	120.3
34	Q	32.9	Very low	29.6	Very low	170 Å²	170	139.3 Å²	139.3	79%	0.794	79%	0.793	S	S	*	*			trans	-88.8	159.6	154.3	-70	179.9	-12.6	0	0	110.9
35	P	31.9	Very low	29.4	Very low	127 Å²	127	143.1 Å²	143.1	83%	0.825	80%	0.799	S	S	*	*				-130.8	162.3	129.8	20	-1.3	0	0	0	114.9
36	R	26.6	Very low	29.1	Very low	221 Å²	221	144.4 Å²	144.4	83%	0.834	80%	0.8	S	S	*	*			trans	-97.4	167.3	-178.6	-90.1	178.5	163.4	-177.7	-4.3	112.9
37	S	27.3	Very low	28.7	Very low	106 Å²	106	149.6 Å²	149.6	74%	0.741	80%	0.804	S	S	*	*			trans	76.5	138.7	159.6	76.1	0	0	0	0	115.2
38	Q	26.5	Very low	28.3	Very low	185 Å²	185	148.4 Å²	148.4	86%	0.864	81%	0.807	S	S	*	*			cis	-154	173.3	41.6	-67.9	171.4	-10.3	0	0	112.2
39	Q	26.1	Very low	28	Very low	184 Å²	184	152.7 Å²	152.7	86%	0.86	82%	0.816	S	S	*	*			trans	-105.5	170.3	160.9	-69.4	179.9	-33	0	0	108.8
40	P	43.4	Very low	27.7	Very low	120 Å²	120	147.8 Å²	147.8	78%	0.779	81%	0.813	S	S	*	*			cis	-115.2	-131.4	-5.7	29.5	-5	0	0	0	108.3
41	P	32.6	Very low	26.8	Very low	112 Å²	112	154.3 Å²	154.3	73%	0.727	82%	0.823	S	S	*	*			cis	-134.9	-176.2	-19.8	42.4	-23.6	0	0	0	116.6
42	A	24.7	Very low	26.6	Very low	90 Å²	90	160.1 Å²	160.1	74%	0.744	83%	0.832	S	S	*	*			trans	39.4	127.1	150	0	0	0	0	0	124.2
43	E	28.2	Very low	26.3	Very low	202 Å²	202	161.2 Å²	161.2	94%	0.944	84%	0.835	S	S	*	*			trans	31.5	127.5	146.2	-60.8	-171.8	160.6	0	0	122.5
44	G	23.3	Very low	25.9	Very low	78 Å²	78	158.1 Å²	158.1	80%	0.804	84%	0.838	S	S	*	*			trans	174.1	109	164.7	0	0	0	0	0	112.1
45	E	26	Very low	25.3	Very low	191 Å²	191	156.5 Å²	156.5	89%	0.893	84%	0.84	S	S	*	*			trans	-69.7	139.9	170.9	-61.8	-174.9	127.6	0	0	110.9
46	L	21.7	Very low	24.9	Very low	159 Å²	159	157.2 Å²	157.2	83%	0.832	84%	0.842	S	S	*	*			trans	-177	114.7	135.1	-98.2	155.3	0	0	0	112.3
47	F	23.3	Very low	24.7	Very low	206 Å²	206	148.9 Å²	148.9	90%	0.904	83%	0.825	S	S	*	*			trans	24	115.8	145	-74.6	-104.4	0	0	0	120.5
48	G	20	Very low	24.5	Very low	72 Å²	72	147.7 Å²	147.7	74%	0.742	83%	0.829	S	S	*	*			trans	-166.7	105.3	163.9	0	0	0	0	0	117
49	R	22.1	Very low	24.3	Very low	263 Å²	263	142 Å²	142	99%	0.992	81%	0.807	S	S	*	*			trans	83.7	142.5	157.4	-54.2	178.3	174	-166.6	-3.3	119.1
50	G	22	Very low	24.2	Very low	74 Å²	74	138.2 Å²	138.2	76%	0.763	81%	0.807	S	S	*	*			trans	128.8	33.9	157.5	0	0	0	0	0	119.3	Q52	G50-Q52 PolarHBondContact O-N 3.39Å
51	R	21.7	Very low	23.3	Very low	251 Å²	251	139.8 Å²	139.8	95%	0.947	80%	0.802	S	S	*	*			trans	-61.4	107.6	168.5	-97.5	-177.2	171.4	173.3	-1.2	110.8
52	Q	22.1	Very low	22.9	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	80%	0.799	S	S	*	*			trans	-120.7	121.2	151.2	-81.6	-169.9	-11.3	0	0	109.6	G50 G54	G50-Q52 PolarHBondContact O-N 3.39Å; Q52-G54 PolarHBondContact O-N 3.13Å
53	R	21.9	Very low	22.9	Very low	241 Å²	241	138.5 Å²	138.5	91%	0.909	78%	0.781	S	S	*	*			trans	-72.4	107.3	179.3	-77.9	174.6	163.9	168.8	-6.4	109.9
54	G	20.4	Very low	22.8	Very low	79 Å²	79	134.8 Å²	134.8	81%	0.814	76%	0.764	S	S	*	*			trans	-92.8	94.4	169.8	0	0	0	0	0	111.9	Q52	Q52-G54 PolarHBondContact O-N 3.13Å
55	T	20.4	Very low	22.8	Very low	135 Å²	135	136.1 Å²	136.1	83%	0.828	75%	0.752	S	S	*	*			trans	-84.6	116.9	177.6	27.6	0	0	0	0	112.9
56	V	22.8	Very low	23	Very low	142 Å²	142	129.9 Å²	129.9	86%	0.861	72%	0.723	S	S	*	*			trans	-7.6	123.4	162.2	-168.8	0	0	0	0	117.5
57	G	21.7	Very low	23.2	Very low	47 Å²	47	123.8 Å²	123.8	49%	0.485	69%	0.691	S	S	.	*			trans	-144.5	107.3	155.6	0	0	0	0	0	110.4	T59 K593	G57-T59 PolarHBondContact O-N 2.86Å; G57-K593 PolarHBondContact O-NZ 3.08Å
58	G	23	Very low	23.4	Very low	81 Å²	81	115.2 Å²	115.2	84%	0.835	66%	0.656	S	S	*	*			trans	-76.1	101	-178	0	0	0	0	0	113
59	T	23.9	Very low	23.8	Very low	66 Å²	66	115.2 Å²	115.2	41%	0.405	65%	0.649	S	S	.	*			trans	-89.3	109.3	163.2	19.1	0	0	0	0	109.1	G57 K61 K593	G57-T59 PolarHBondContact O-N 2.86Å; T59-K61 VanDerWaalsContact C-N 3.33Å; T59-K61 PolarHBondContact O-N 2.83Å; T59-K593 HydrophobicContact CG2-CD 3.66Å; T59-K593 HydrophobicContact CG2-CG 4.33Å; T59-K593 PolarHBondContact OG1-NZ 2.85Å
60	A	23.8	Very low	24.1	Very low	103 Å²	103	104 Å²	104	85%	0.851	62%	0.616	S	S	*	*			trans	-63.3	91.2	174	0	0	0	0	0	110.3	S62	A60-S62 PolarHBondContact O-N 3.17Å
61	K	24.5	Very low	24.5	Very low	154 Å²	154	101.7 Å²	101.7	67%	0.67	59%	0.585	S	S	*	*			trans	-59.4	127.1	157.8	-70.4	176.8	179.4	171	0	106.3	T59 Q63	T59-K61 VanDerWaalsContact C-N 3.33Å; T59-K61 PolarHBondContact O-N 2.83Å; K61-Q63 HydrophobicContact CB-CG 4.18Å; K61-Q63 VanDerWaalsContact CD-OE1 3.27Å; K61-Q63 PolarHBondContact O-N 2.93Å
62	S	23.7	Very low	24.7	Very low	97 Å²	97	97.2 Å²	97.2	68%	0.678	58%	0.575	S	S	*	*			trans	-70.7	49.1	164.9	47.5	0	0	0	0	111.4	A60	A60-S62 PolarHBondContact O-N 3.17Å
63	Q	24	Very low	25.1	Very low	77 Å²	77	91.7 Å²	91.7	36%	0.36	55%	0.549	S	S	.	.			trans	-71.7	121.6	153.7	-71.3	176.7	-103.7	0	0	105.5	K61 L65	K61-Q63 HydrophobicContact CB-CG 4.18Å; K61-Q63 VanDerWaalsContact CD-OE1 3.27Å; K61-Q63 PolarHBondContact O-N 2.93Å; Q63-L65 VanDerWaalsContact C-N 3.3Å; Q63-L65 PolarHBondContact O-N 3.28Å
64	E	26.3	Very low	25.2	Very low	124 Å²	124	86 Å²	86	58%	0.579	54%	0.536	S	S	*	.			trans	-54	107.3	151.6	-72.6	178.7	161.8	0	0	106	Q66	E64-Q66 PolarHBondContact O-N 2.97Å
65	L	24.1	Very low	25.6	Very low	107 Å²	107	84.8 Å²	84.8	56%	0.56	52%	0.515	S	S	*	.			trans	-67.1	87	170.5	-83.1	161.4	0	0	0	105.9	Q63 I67 R411	Q63-L65 VanDerWaalsContact C-N 3.3Å; Q63-L65 PolarHBondContact O-N 3.28Å; L65-I67 HydrophobicContact CB-CG1 4.45Å; L65-I67 PolarHBondContact O-N 3.28Å; L65-R411 VanDerWaalsContact CD2-NH2 3.27Å
66	Q	29.1	Very low	25.9	Very low	59 Å²	59	81.7 Å²	81.7	28%	0.276	49%	0.493	S	S	.	.			trans	-66.3	76.9	166.8	-72.1	-176.2	1.7	0	0	107.8	E64 R411 V784	E64-Q66 PolarHBondContact O-N 2.97Å; Q66-R411 PolarHBondContact O-NE 2.94Å; Q66-V784 VanDerWaalsContact OE1-CG1 3.29Å
67	I	25.7	Very low	26.1	Very low	31 Å²	31	77.6 Å²	77.6	16%	0.159	47%	0.474	C	S	.	.			trans	-69.3	152.6	151	-47.8	176.2	0	0	0	105.3	L65 A69 F71 M403	L65-I67 HydrophobicContact CB-CG1 4.45Å; L65-I67 PolarHBondContact O-N 3.28Å; I67-A69 PolarHBondContact O-N 2.8Å; I67-F71 HydrophobicContact CB-CB 4.28Å; I67-F71 HydrophobicContact CB-CD2 4.36Å; I67-F71 HydrophobicContact CG2-CB 4.02Å; I67-F71 HydrophobicContact CG2-CD2 3.31Å; I67-F71 HydrophobicContact CG2-CE2 3.96Å; I67-F71 HydrophobicContact CG2-CG 3.75Å; I67-M403 HydrophobicContact CD1-CE 3.19Å
68	S	27.6	Very low	26.7	Very low	26 Å²	26	78.2 Å²	78.2	18%	0.182	46%	0.464	C	S	.	.			trans	-41.8	141.9	175.1	180	0	0	0	0	111.8	G70 F71	S68-G70 PolarHBondContact O-N 2.93Å; S68-F71 PolarHBondContact O-N 3.21Å
69	A	28.7	Very low	27.3	Very low	72 Å²	72	80.8 Å²	80.8	60%	0.595	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-56.8	-12.6	-172.7	0	0	0	0	0	114.8	I67 F71	I67-A69 PolarHBondContact O-N 2.8Å; A69-F71 VanDerWaalsContact C-N 3.28Å; A69-F71 PolarHBondContact O-N 2.86Å
70	G	28.7	Very low	27.5	Very low	28 Å²	28	81 Å²	81	29%	0.289	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-68.9	-9.5	170.6	0	0	0	0	0	116.3	S68 E73	S68-G70 PolarHBondContact O-N 2.93Å; G70-E73 WeakPolarHBondContact O-CG 2.79Å
71	F	29.7	Very low	27.7	Very low	26 Å²	26	78 Å²	78	11%	0.114	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-96.7	-17.5	-178	-76.3	-78.7	0	0	0	115.9	I67 S68 A69 E73 V273 L392 L406 T410	I67-F71 HydrophobicContact CB-CB 4.28Å; I67-F71 HydrophobicContact CB-CD2 4.36Å; I67-F71 HydrophobicContact CG2-CB 4.02Å; I67-F71 HydrophobicContact CG2-CD2 3.31Å; I67-F71 HydrophobicContact CG2-CE2 3.96Å; I67-F71 HydrophobicContact CG2-CG 3.75Å; S68-F71 PolarHBondContact O-N 3.21Å; A69-F71 VanDerWaalsContact C-N 3.28Å; A69-F71 PolarHBondContact O-N 2.86Å; F71-E73 PolarHBondContact O-N 3.48Å; F71-V273 HydrophobicContact CE1-CB 4.21Å; F71-V273 HydrophobicContact CE1-CG2 3.47Å; F71-V273 VanDerWaalsContact CE1-CG2 3.47Å; F71-V273 HydrophobicContact CZ-CG2 3.37Å; F71-L392 HydrophobicContact CD1-CD1 3.71Å; F71-L392 HydrophobicContact CD1-CG 4.43Å; F71-L392 HydrophobicContact CE1-CD1 3.99Å; F71-L392 HydrophobicContact CE1-CG 4.45Å; F71-L406 HydrophobicContact CD1-CD2 4.21Å; F71-L406 HydrophobicContact CE1-CD1 4.35Å; F71-L406 HydrophobicContact CE1-CD2 3.53Å; F71-L406 HydrophobicContact CE1-CG 4.13Å; F71-L406 HydrophobicContact CZ-CD1 3.97Å; F71-L406 HydrophobicContact CZ-CD2 3.9Å; F71-L406 HydrophobicContact CZ-CG 3.96Å; F71-T410 HydrophobicContact CE2-CG2 3.61Å; F71-T410 HydrophobicContact CZ-CG2 3.82Å
72	Q	26.2	Very low	28	Very low	156 Å²	156	81.3 Å²	81.3	73%	0.729	45%	0.452	S	S	*	.			trans	-91.3	35.7	167.9	-74.7	-174.1	-23.8	0	0	111.6	L74	Q72-L74 PolarHBondContact O-N 3.37Å
73	E	30.1	Very low	28.5	Very low	75 Å²	75	82.7 Å²	82.7	35%	0.35	44%	0.442	S	S	.	.			trans	-69.5	66.7	167.4	-77.6	-167.4	156.5	0	0	111.3	G70 F71 S75 A77 K272	G70-E73 WeakPolarHBondContact O-CG 2.79Å; F71-E73 PolarHBondContact O-N 3.48Å; E73-S75 PolarHBondContact O-N 3.12Å; E73-A77 HydrophobicContact CG-CB 4.18Å; E73-K272 IonicContact OE2-NZ 3.37Å
74	L	24.7	Very low	28.9	Very low	120 Å²	120	88.1 Å²	88.1	63%	0.628	46%	0.459	S	S	*	.			trans	-81.9	97.5	157.8	-77.1	172.3	0	0	0	108.8	Q72 L76	Q72-L74 PolarHBondContact O-N 3.37Å; L74-L76 PolarHBondContact O-N 3.25Å
75	S	28.3	Very low	29.3	Very low	54 Å²	54	84.7 Å²	84.7	38%	0.378	45%	0.445	S	S	.	.	S	Bend	trans	51.8	7.4	151.3	-165.3	0	0	0	0	120.6	E73 T637	E73-S75 PolarHBondContact O-N 3.12Å; S75-T637 WeakPolarHBondContact CB-OG1 3.39Å; S75-T637 PolarHBondContact OG-OG1 3.24Å
76	L	27.8	Very low	29.8	Very low	71 Å²	71	86.7 Å²	86.7	37%	0.372	45%	0.45	S	S	.	.	S	Bend	trans	-97.9	-17.4	171.7	-84.9	162.1	0	0	0	113.5	L74	L74-L76 PolarHBondContact O-N 3.25Å
77	A	27.4	Very low	30.6	Very low	55 Å²	55	86.2 Å²	86.2	46%	0.455	45%	0.447	S	S	.	.	S	Bend	trans	-86.6	-11.8	-170.4	0	0	0	0	0	115.2	E73	E73-A77 HydrophobicContact CG-CB 4.18Å
78	E	33.2	Very low	31.5	Very low	60 Å²	60	86.9 Å²	86.9	28%	0.28	45%	0.451	S	S	.	.			trans	-109.5	68.4	-176.3	-63	-152.6	-174.7	0	0	113	G80 K272 V307 T316	E78-G80 PolarHBondContact O-N 3.03Å; E78-K272 IonicContact OE1-NZ 2.87Å; E78-K272 PolarHBondContact OE1-NZ 3.5Å; E78-V307 WeakPolarHBondContact OE2-CG1 3.34Å; E78-T316 VanDerWaalsContact OE2-CB 3.31Å; E78-T316 WeakPolarHBondContact OE2-CB 3.35Å; E78-T316 PolarHBondContact OE2-OG1 3.04Å
79	R	36.1	Very low	32.5	Very low	135 Å²	135	90.3 Å²	90.3	51%	0.509	47%	0.467	S	S	.	.			trans	-84.2	70.1	156	-72.8	178.2	172.8	146.3	-0.2	108.6	G81	R79-G81 PolarHBondContact O-N 2.95Å
80	G	27	Very low	33.7	Very low	72 Å²	72	89.4 Å²	89.4	74%	0.742	46%	0.464	S	S	*	.			trans	-61.6	95.8	172.4	0	0	0	0	0	110.8	E78	E78-G80 PolarHBondContact O-N 3.03Å
81	G	29	Very low	35.5	Very low	40 Å²	40	88.7 Å²	88.7	41%	0.412	45%	0.454	S	S	.	.	S	Bend	trans	156	140.8	-179.1	0	0	0	0	0	110.5	R79 R83	R79-G81 PolarHBondContact O-N 2.95Å; G81-R83 PolarHBondContact O-N 2.8Å
82	R	31.1	Very low	37.9	Very low	223 Å²	223	90.2 Å²	90.2	84%	0.842	46%	0.463	S	S	*	.			trans	-53.9	99.2	174.4	-63.3	176.3	-177	169	0.1	108.8	R369	R82-R369 PolarHBondContact O-NH1 3.4Å; R82-R369 PolarHBondContact O-NH2 2.92Å
83	R	33.9	Very low	40.4	Very low	125 Å²	125	83.2 Å²	83.2	47%	0.472	43%	0.432	S	S	.	.			trans	-74.3	125	138.3	-79	-172.6	168.4	-164.4	-5.6	103.6	G81 D85	G81-R83 PolarHBondContact O-N 2.8Å; R83-D85 PolarHBondContact O-N 2.9Å
84	R	32.4	Very low	43.1	Very low	191 Å²	191	81 Å²	81	72%	0.721	42%	0.42	S	S	*	.			trans	-52	141.3	156.1	-75.4	175.6	172	165.8	-4.2	106	F86	R84-F86 HydrophobicContact CB-CD2 3.74Å; R84-F86 HydrophobicContact CB-CE2 3.98Å; R84-F86 PolarHBondContact O-N 3.39Å
85	D	34.2	Very low	45.8	Very low	52 Å²	52	81 Å²	81	28%	0.278	42%	0.417	S	S	.	.			trans	-72.5	66.3	176	-60.3	-66.4	0	0	0	108.9	R83 H87 R217	R83-D85 PolarHBondContact O-N 2.9Å; D85-H87 PolarHBondContact O-CD2 2.98Å; D85-H87 PolarHBondContact O-N 3.49Å; D85-R217 IonicContact OD1-NH2 2.6Å; D85-R217 PolarHBondContact OD1-NH2 2.83Å; D85-R217 IonicContact OD2-CZ 2.68Å; D85-R217 VanDerWaalsContact OD2-CZ 3.23Å; D85-R217 IonicContact OD2-NH1 3.27Å; D85-R217 PolarHBondContact OD2-NH1 2.9Å; D85-R217 IonicContact OD2-NH2 2.76Å; D85-R217 PolarHBondContact OD2-NH2 3.3Å
86	F	35.5	Very low	48.3	Very low	150 Å²	150	84.7 Å²	84.7	66%	0.658	43%	0.432	S	S	*	.			trans	-67.1	84.7	165.6	-89.6	-80.2	0	0	0	107	R84	R84-F86 HydrophobicContact CB-CD2 3.74Å; R84-F86 HydrophobicContact CB-CE2 3.98Å; R84-F86 PolarHBondContact O-N 3.39Å
87	H	44.9	Very low	51	Low	49 Å²	49	82 Å²	82	23%	0.227	42%	0.418	C	S	.	.			trans	-52.1	133.4	142.8	-63.3	-68.3	0	0	0	107.2	D85 L89 L257	D85-H87 PolarHBondContact O-CD2 2.98Å; D85-H87 PolarHBondContact O-N 3.49Å; H87-L89 HydrophobicContact CB-CD2 4.22Å; H87-L89 HydrophobicContact CB-CG 4.26Å; H87-L89 PolarHBondContact O-N 3.04Å; H87-L257 WeakPolarHBondContact CE1-CD2 3.32Å
88	D	45.1	Very low	53.8	Low	44 Å²	44	85.7 Å²	85.7	24%	0.235	43%	0.43	C	S	.	.			trans	-78.9	72.6	179.8	-156.5	-11.4	0	0	0	108.4	G90 V91 K710	D88-G90 PolarHBondContact O-N 2.98Å; D88-V91 PolarHBondContact O-N 2.83Å; D88-K710 WeakPolarHBondContact OD2-CB 3.29Å; D88-K710 PolarHBondContact OD2-N 3.38Å
89	L	48.1	Very low	56.5	Low	99 Å²	99	86.1 Å²	86.1	52%	0.518	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-3.7	-173.3	-66.8	165.8	0	0	0	113.8	H87 P206	H87-L89 HydrophobicContact CB-CD2 4.22Å; H87-L89 HydrophobicContact CB-CG 4.26Å; H87-L89 PolarHBondContact O-N 3.04Å; L89-P206 HydrophobicContact CD1-CB 3.51Å; L89-P206 HydrophobicContact CD1-CG 4.35Å; L89-P206 HydrophobicContact CD2-CB 3.65Å; L89-P206 HydrophobicContact CD2-CG 3.96Å; L89-P206 HydrophobicContact CG-CB 4.19Å
90	G	53.5	Low	59.1	Low	52 Å²	52	79.7 Å²	79.7	54%	0.536	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	7.5	178	0	0	0	0	0	115.3	D88	D88-G90 PolarHBondContact O-N 2.98Å
91	V	67.1	Low	62	Low	14 Å²	14	81.2 Å²	81.2	9%	0.085	39%	0.394	C	S	.	.			trans	-117.2	81	-177.3	-175.2	0	0	0	0	110.8	D88 T93 L709 K710 W774	D88-V91 PolarHBondContact O-N 2.83Å; V91-T93 HydrophobicContact CG1-CG2 3.62Å; V91-L709 HydrophobicContact CG1-CB 4.27Å; V91-L709 HydrophobicContact CG2-CB 4.42Å; V91-K710 VanDerWaalsContact CG2-CA 3.49Å; V91-K710 HydrophobicContact CG2-CB 3.44Å; V91-K710 VanDerWaalsContact CG2-CB 3.44Å; V91-K710 HydrophobicContact CG2-CG 4.08Å; V91-W774 PolarHBondContact O-NE1 3Å; V91-W774 VanDerWaalsContact O-NE1 3.1Å
92	N	80	Confident	64.8	Low	57 Å²	57	86.8 Å²	86.8	31%	0.305	41%	0.409	S	S	.	.			trans	-94.6	90.2	169.1	-171.4	-20.4	0	0	0	108.9	R94 Q95 E773	N92-R94 VanDerWaalsContact C-N 3.33Å; N92-R94 PolarHBondContact OD1-N 3Å; N92-Q95 HydrophobicContact CB-CB 4.3Å; N92-Q95 VanDerWaalsContact CG-CB 3.44Å; N92-Q95 PolarHBondContact ND2-OE1 3.02Å; N92-Q95 VanDerWaalsContact ND2-OE1 3.07Å; N92-Q95 VanDerWaalsContact OD1-CB 3.31Å; N92-Q95 WeakPolarHBondContact OD1-CB 3.47Å; N92-Q95 PolarHBondContact OD1-N 3.46Å; N92-E773 CarbonylContact C-O 3.51Å; N92-E773 VanDerWaalsContact CA-O 3.3Å; N92-E773 WeakPolarHBondContact CA-O 3.48Å; N92-E773 HydrophobicContact CB-CB 4.28Å; N92-E773 PolarHBondContact OD1-O 2.81Å
93	T	79.5	Confident	67.6	Low	10 Å²	10	79 Å²	79	6%	0.061	39%	0.389	C	S	.	.	S	Bend	trans	-76.9	-25	-176.5	59.3	0	0	0	0	111.8	V91 L97 E773 Y775 N795 V796 I797	V91-T93 HydrophobicContact CG1-CG2 3.62Å; T93-L97 WeakPolarHBondContact O-CD1 3.43Å; T93-L97 VanDerWaalsContact O-CG 3.28Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; T93-E773 PolarHBondContact N-O 3.4Å; T93-Y775 PolarHBondContact OG1-N 2.81Å; T93-N795 PolarHBondContact OG1-OD1 2.81Å; T93-V796 WeakPolarHBondContact CB-O 3.38Å; T93-V796 PolarHBondContact OG1-O 3.47Å; T93-V796 VanDerWaalsContact OG1-O 3.14Å; T93-I797 HydrophobicContact CG2-CB 4.11Å; T93-I797 HydrophobicContact CG2-CG2 4.17Å
94	R	85.8	Confident	70.4	Confident	27 Å²	27	73.1 Å²	73.1	10%	0.102	37%	0.367	C	S	.	.	S	Bend	trans	-74	-39.1	-179.6	-171	-175.5	179.1	171.9	-2.6	113.1	N92 N96 L97 V100 K101 E102 E260 P772 E773	N92-R94 VanDerWaalsContact C-N 3.33Å; N92-R94 PolarHBondContact OD1-N 3Å; R94-N96 PolarHBondContact O-N 3.1Å; R94-N96 VanDerWaalsContact O-N 3.15Å; R94-L97 PolarHBondContact O-N 3.46Å; R94-V100 HydrophobicContact CG-CG2 4.35Å; R94-V100 PolarHBondContact NE-O 3.17Å; R94-K101 PolarHBondContact NE-O 3.14Å; R94-K101 PolarHBondContact NH2-O 2.98Å; R94-E102 PolarHBondContact NH2-O 3.09Å; R94-E260 IonicContact CZ-OE1 2.68Å; R94-E260 IonicContact NH1-OE1 2.66Å; R94-E260 PolarHBondContact NH1-OE1 3.23Å; R94-E260 IonicContact NH2-OE1 3.01Å; R94-P772 WeakPolarHBondContact CD-O 3.27Å; R94-P772 PolarHBondContact NH1-O 3.41Å; R94-E773 PolarHBondContact N-O 3.45Å
95	Q	83.1	Confident	73.4	Confident	120 Å²	120	67 Å²	67	56%	0.561	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.1	-175.9	177.8	173.3	2.7	0	0	113.6	N92	N92-Q95 HydrophobicContact CB-CB 4.3Å; N92-Q95 VanDerWaalsContact CG-CB 3.44Å; N92-Q95 PolarHBondContact ND2-OE1 3.02Å; N92-Q95 VanDerWaalsContact ND2-OE1 3.07Å; N92-Q95 VanDerWaalsContact OD1-CB 3.31Å; N92-Q95 WeakPolarHBondContact OD1-CB 3.47Å; N92-Q95 PolarHBondContact OD1-N 3.46Å
96	N	79.4	Confident	76.3	Confident	132 Å²	132	64.8 Å²	64.8	71%	0.706	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	6.6	-179.1	-60.7	-23.6	0	0	0	113.5	R94	R94-N96 PolarHBondContact O-N 3.1Å; R94-N96 VanDerWaalsContact O-N 3.15Å
97	L	85.4	Confident	79.1	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	34%	0.343	C	S	.	.			trans	-124.5	87	-174.1	-62.5	178.6	0	0	0	110.4	T93 R94 H99 V100 K101 Y775 D799	T93-L97 WeakPolarHBondContact O-CD1 3.43Å; T93-L97 VanDerWaalsContact O-CG 3.28Å; T93-L97 WeakPolarHBondContact O-CG 3.48Å; R94-L97 PolarHBondContact O-N 3.46Å; L97-H99 PolarHBondContact O-N 2.88Å; L97-V100 HydrophobicContact CB-CG2 3.48Å; L97-V100 VanDerWaalsContact CB-CG2 3.48Å; L97-V100 HydrophobicContact CD1-CG2 4.14Å; L97-V100 HydrophobicContact CG-CG2 4.47Å; L97-V100 WeakPolarHBondContact O-CG2 3.46Å; L97-V100 PolarHBondContact O-N 3.02Å; L97-K101 PolarHBondContact O-N 2.96Å; L97-Y775 HydrophobicContact CD1-CD1 3.96Å; L97-D799 HydrophobicContact CD1-CB 4.34Å; L97-D799 HydrophobicContact CD2-CB 3.94Å; L97-D799 WeakPolarHBondContact CD2-O 3.35Å
98	D	85.9	Confident	81.5	Confident	133 Å²	133	61.7 Å²	61.7	71%	0.711	34%	0.344	S	S	*	.	H	α-helix	trans	-49.5	-41.9	-172.7	-61.1	-46.4	0	0	0	113.8	V100 K101	D98-V100 PolarHBondContact O-N 3.18Å; D98-V100 VanDerWaalsContact O-N 3.14Å; D98-K101 PolarHBondContact O-N 3.42Å
99	H	89.8	Confident	83.9	Confident	69 Å²	69	61.5 Å²	61.5	32%	0.319	35%	0.352	S	S	.	.	H	α-helix	trans	-68.8	-7.9	-178	73.3	-79.4	0	0	0	115.3	L97 D799 L803	L97-H99 PolarHBondContact O-N 2.88Å; H99-D799 IonicContact CE1-OD2 2.61Å; H99-D799 PolarHBondContact CE1-OD2 3.3Å; H99-D799 IonicContact NE2-OD2 3.79Å; H99-L803 PolarHBondContact CD2-O 2.85Å; H99-L803 PolarHBondContact NE2-O 3.28Å
100	V	91	Very high	86.2	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-130.3	2.5	174	-64.7	0	0	0	0	114.1	R94 L97 D98 E102 S103 K104 Y775 P805	R94-V100 HydrophobicContact CG-CG2 4.35Å; R94-V100 PolarHBondContact NE-O 3.17Å; L97-V100 HydrophobicContact CB-CG2 3.48Å; L97-V100 VanDerWaalsContact CB-CG2 3.48Å; L97-V100 HydrophobicContact CD1-CG2 4.14Å; L97-V100 HydrophobicContact CG-CG2 4.47Å; L97-V100 WeakPolarHBondContact O-CG2 3.46Å; L97-V100 PolarHBondContact O-N 3.02Å; D98-V100 PolarHBondContact O-N 3.18Å; D98-V100 VanDerWaalsContact O-N 3.14Å; V100-E102 PolarHBondContact O-N 3.16Å; V100-S103 WeakPolarHBondContact CA-O 3.33Å; V100-S103 CarbonylContact O-C 3.51Å; V100-S103 PolarHBondContact O-N 3.27Å; V100-K104 HydrophobicContact CB-CB 4.31Å; V100-Y775 HydrophobicContact CB-CD1 4.34Å; V100-Y775 HydrophobicContact CB-CG 4.29Å; V100-Y775 HydrophobicContact CG1-CD1 3.95Å; V100-Y775 HydrophobicContact CG1-CD2 4.28Å; V100-Y775 HydrophobicContact CG1-CE1 3.93Å; V100-Y775 HydrophobicContact CG1-CE2 4.28Å; V100-Y775 HydrophobicContact CG1-CG 4.18Å; V100-Y775 HydrophobicContact CG2-CD1 3.76Å; V100-Y775 HydrophobicContact CG2-CG 3.88Å; V100-P805 HydrophobicContact CG1-CG 3.57Å
101	K	87.4	Confident	88.2	Confident	104 Å²	104	66.8 Å²	66.8	45%	0.452	37%	0.366	S	S	.	.	H	α-helix	trans	-54	-54.8	-178.9	-172.8	-179.3	176.6	-177.3	0	110.9	R94 L97 D98	R94-K101 PolarHBondContact NE-O 3.14Å; R94-K101 PolarHBondContact NH2-O 2.98Å; L97-K101 PolarHBondContact O-N 2.96Å; D98-K101 PolarHBondContact O-N 3.42Å
102	E	87.3	Confident	89.6	Confident	156 Å²	156	67.1 Å²	67.1	73%	0.729	37%	0.367	S	S	*	.	S	Bend	trans	-75.1	-41.5	178.5	-53.2	-47.9	129.4	0	0	112.6	R94 V100	R94-E102 PolarHBondContact NH2-O 3.09Å; V100-E102 PolarHBondContact O-N 3.16Å
103	S	90.4	Very high	90.4	Very high	60 Å²	60	70 Å²	70	42%	0.42	37%	0.374	S	S	.	.			trans	-152	136.4	177.3	-177.1	0	0	0	0	113.2	V100 T105	V100-S103 WeakPolarHBondContact CA-O 3.33Å; V100-S103 CarbonylContact O-C 3.51Å; V100-S103 PolarHBondContact O-N 3.27Å; S103-T105 WeakPolarHBondContact OG-CB 3.33Å; S103-T105 PolarHBondContact OG-N 3.03Å; S103-T105 PolarHBondContact OG-OG1 3.42Å; S103-T105 VanDerWaalsContact OG-OG1 3.14Å
104	K	93.2	Very high	91.2	Very high	1 Å²	1	69.5 Å²	69.5	0%	0.004	37%	0.371	C	S	.	.			trans	-101	11.5	171.4	63.6	-171.2	169.5	-170.3	0	113.6	V100 E260 R771 W774 Y775 D776 P805	V100-K104 HydrophobicContact CB-CB 4.31Å; K104-E260 VanDerWaalsContact CE-CD 3.47Å; K104-E260 VanDerWaalsContact CE-OE1 3.29Å; K104-E260 WeakPolarHBondContact CE-OE1 3.32Å; K104-E260 WeakPolarHBondContact CE-OE2 3.36Å; K104-E260 IonicContact NZ-OE1 3.29Å; K104-E260 IonicContact NZ-OE2 3.88Å; K104-E260 PolarHBondContact NZ-OE2 3.24Å; K104-R771 PolarHBondContact NZ-O 2.94Å; K104-W774 WeakPolarHBondContact CD-O 3.31Å; K104-W774 PolarHBondContact NZ-O 3.33Å; K104-Y775 HydrophobicContact CB-CD2 3.72Å; K104-Y775 HydrophobicContact CB-CE2 4.21Å; K104-D776 IonicContact NZ-OD1 2.86Å; K104-D776 PolarHBondContact NZ-OD1 2.8Å; K104-P805 WeakPolarHBondContact O-CB 3.48Å
105	T	95.2	Very high	91.7	Very high	62 Å²	62	68.5 Å²	68.5	38%	0.38	37%	0.368	S	S	.	.			trans	-81.3	128.5	-174	-47.1	0	0	0	0	110.9	S103 D766 V767	S103-T105 WeakPolarHBondContact OG-CB 3.33Å; S103-T105 PolarHBondContact OG-N 3.03Å; S103-T105 PolarHBondContact OG-OG1 3.42Å; S103-T105 VanDerWaalsContact OG-OG1 3.14Å; T105-D766 VanDerWaalsContact CA-OD2 3.32Å; T105-D766 WeakPolarHBondContact CA-OD2 3.46Å; T105-V767 HydrophobicContact CG2-CG1 3.8Å
106	G	94.8	Very high	92.3	Very high	7 Å²	7	62.8 Å²	62.8	7%	0.072	34%	0.342	C	S	.	.			trans	-80.9	167.8	170.4	0	0	0	0	0	112.4	R455 D766	G106-R455 VanDerWaalsContact O-CZ 3.24Å; G106-R455 PolarHBondContact O-NE 2.56Å; G106-R455 VanDerWaalsContact O-NE 3.08Å; G106-D766 PolarHBondContact N-OD2 2.82Å
107	S	95	Very high	93.1	Very high	101 Å²	101	56.5 Å²	56.5	71%	0.706	31%	0.308	S	S	*	.			trans	-121.9	-21	-169.6	59.1	0	0	0	0	114.6	D806	S107-D806 PolarHBondContact N-OD1 3.34Å; S107-D806 VanDerWaalsContact N-OD1 3.1Å
108	S	94.9	Very high	93.6	Very high	33 Å²	33	56 Å²	56	23%	0.231	31%	0.305	C	S	.	.			trans	-78.1	154.2	-177.2	-64.4	0	0	0	0	112.4	R455 D806	S108-R455 PolarHBondContact O-NH1 2.74Å; S108-D806 WeakPolarHBondContact CA-OD1 3.03Å; S108-D806 WeakPolarHBondContact CB-OD1 3.43Å; S108-D806 WeakPolarHBondContact CB-OD2 3.28Å; S108-D806 PolarHBondContact N-OD1 2.84Å; S108-D806 PolarHBondContact OG-OD1 2.91Å; S108-D806 PolarHBondContact OG-OD2 2.82Å
109	G	94.8	Very high	94.1	Very high	40 Å²	40	49.7 Å²	49.7	41%	0.412	27%	0.272	S	S	.	.	S	Bend	trans	100.1	178.6	175.1	0	0	0	0	0	113.7	I456	G109-I456 CarbonylContact C-O 3.58Å; G109-I456 WeakPolarHBondContact CA-O 3.47Å
110	I	96.6	Very high	94.4	Very high	132 Å²	132	50.7 Å²	50.7	68%	0.677	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.1	-177.1	-58.7	170.7	0	0	0	108.9	V112 R455 I456	I110-V112 PolarHBondContact O-N 2.89Å; I110-R455 CarbonylContact O-C 3.5Å; I110-R455 WeakPolarHBondContact O-CA 3.44Å; I110-I456 PolarHBondContact N-O 3.45Å; I110-I456 PolarHBondContact O-N 2.75Å
111	I	96.2	Very high	94.5	Very high	130 Å²	130	51.4 Å²	51.4	67%	0.667	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	134.5	178	-61.3	175.4	0	0	0	110.1	G454	I111-G454 WeakPolarHBondContact CA-O 3.16Å
112	V	95.5	Very high	94.7	Very high	20 Å²	20	49 Å²	49	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.6	175.6	59.3	0	0	0	0	110.7	I110 L114 S453 G454 I456 A750 T763	I110-V112 PolarHBondContact O-N 2.89Å; V112-L114 HydrophobicContact CG1-CD1 4.42Å; V112-L114 HydrophobicContact CG1-CD2 3.94Å; V112-L114 HydrophobicContact CG1-CG 4.08Å; V112-L114 HydrophobicContact CG2-CD2 4.07Å; V112-L114 PolarHBondContact O-N 3.25Å; V112-S453 WeakPolarHBondContact O-CA 3.48Å; V112-G454 PolarHBondContact N-O 2.93Å; V112-G454 PolarHBondContact O-N 2.82Å; V112-I456 HydrophobicContact CB-CD1 3.85Å; V112-I456 HydrophobicContact CB-CG1 3.88Å; V112-I456 HydrophobicContact CG1-CD1 4.05Å; V112-I456 HydrophobicContact CG1-CG1 3.58Å; V112-I456 HydrophobicContact CG2-CD1 4.1Å; V112-A750 HydrophobicContact CG2-CB 4.14Å; V112-T763 HydrophobicContact CG1-CG2 4.08Å
113	R	96.8	Very high	94.7	Very high	117 Å²	117	43.7 Å²	43.7	44%	0.442	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.4	173.1	-167	69	177.3	170	-0.4	109.6	S451 F452 Q751	R113-S451 PolarHBondContact NH2-O 2.85Å; R113-F452 WeakPolarHBondContact CD-O 3.14Å; R113-Q751 HydrophobicContact CB-CB 4.45Å; R113-Q751 HydrophobicContact CG-CB 4.5Å; R113-Q751 PolarHBondContact O-N 3.33Å
114	L	96.8	Very high	94.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147.2	-178.9	-59.9	179.5	0	0	0	110.5	V112 S451 F452 F749 A750 P759 T763 I765	V112-L114 HydrophobicContact CG1-CD1 4.42Å; V112-L114 HydrophobicContact CG1-CD2 3.94Å; V112-L114 HydrophobicContact CG1-CG 4.08Å; V112-L114 HydrophobicContact CG2-CD2 4.07Å; V112-L114 PolarHBondContact O-N 3.25Å; L114-S451 CarbonylContact O-C 3.54Å; L114-S451 WeakPolarHBondContact O-CA 3.5Å; L114-F452 HydrophobicContact CB-CE1 4.12Å; L114-F452 HydrophobicContact CB-CE2 4.22Å; L114-F452 HydrophobicContact CB-CZ 3.93Å; L114-F452 HydrophobicContact CD1-CE2 3.9Å; L114-F452 HydrophobicContact CD1-CZ 3.92Å; L114-F452 PolarHBondContact N-O 2.9Å; L114-F452 PolarHBondContact O-N 2.83Å; L114-F452 VanDerWaalsContact O-O 3.07Å; L114-F749 CarbonylContact C-O 3.6Å; L114-F749 VanDerWaalsContact CA-O 3.3Å; L114-F749 WeakPolarHBondContact CA-O 3.39Å; L114-A750 HydrophobicContact CD2-CB 4.01Å; L114-P759 HydrophobicContact CD2-CB 4.38Å; L114-P759 HydrophobicContact CD2-CG 4.16Å; L114-T763 HydrophobicContact CD1-CG2 3.92Å; L114-T763 HydrophobicContact CD2-CG2 4.26Å; L114-I765 HydrophobicContact CD1-CD1 4.03Å; L114-I765 HydrophobicContact CD1-CG1 3.58Å
115	S	95.4	Very high	94	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.042	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	159.9	156.5	66.8	0	0	0	0	110.1	L450 F748 F749	S115-L450 VanDerWaalsContact CA-O 3.31Å; S115-L450 WeakPolarHBondContact CA-O 3.35Å; S115-F748 WeakPolarHBondContact O-CA 3.24Å; S115-F749 PolarHBondContact N-O 2.96Å; S115-F749 PolarHBondContact O-N 2.76Å
116	T	96.4	Very high	93.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.7	-178.5	-175.9	0	0	0	0	111.2	H118 L449 L450 F452 R747 V769	T116-H118 HydrophobicContact CG2-CB 3.96Å; T116-H118 WeakPolarHBondContact CG2-ND1 3.35Å; T116-H118 PolarHBondContact O-N 2.82Å; T116-H118 PolarHBondContact OG1-CE1 2.81Å; T116-H118 PolarHBondContact OG1-ND1 2.82Å; T116-L449 WeakPolarHBondContact O-CB 3.11Å; T116-L449 WeakPolarHBondContact O-CD2 3.33Å; T116-L450 HydrophobicContact CG2-CB 3.77Å; T116-L450 HydrophobicContact CG2-CD2 3.78Å; T116-L450 HydrophobicContact CG2-CG 4.18Å; T116-L450 PolarHBondContact N-O 2.82Å; T116-F452 HydrophobicContact CG2-CD1 4.27Å; T116-F452 HydrophobicContact CG2-CE1 3.75Å; T116-R747 VanDerWaalsContact CA-O 3.29Å; T116-R747 WeakPolarHBondContact CA-O 3.34Å; T116-R747 VanDerWaalsContact CB-O 3.29Å; T116-R747 WeakPolarHBondContact CB-O 3.36Å; T116-R747 PolarHBondContact OG1-O 3.16Å; T116-V769 HydrophobicContact CG2-CG1 3.89Å
117	N	96.3	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-75.8	42.4	178.2	70.1	-39.8	0	0	0	113.8	T267 V421 N745 R747	N117-T267 VanDerWaalsContact CB-O 3.29Å; N117-T267 WeakPolarHBondContact CB-O 3.39Å; N117-T267 PolarHBondContact ND2-O 3.38Å; N117-T267 PolarHBondContact O-N 3.24Å; N117-T267 VanDerWaalsContact O-N 3.08Å; N117-V421 HydrophobicContact CB-CG1 4.12Å; N117-V421 HydrophobicContact CB-CG2 4.41Å; N117-N745 PolarHBondContact ND2-O 3.27Å; N117-R747 HydrophobicContact CB-CB 4.31Å; N117-R747 PolarHBondContact OD1-N 3.03Å; N117-R747 PolarHBondContact OD1-O 3.33Å
118	H	96.8	Very high	92.7	Very high	2 Å²	2	54 Å²	54	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138	175.3	-62	78	0	0	0	110	T116 Y259 M264 L265 C266 L450	T116-H118 HydrophobicContact CG2-CB 3.96Å; T116-H118 WeakPolarHBondContact CG2-ND1 3.35Å; T116-H118 PolarHBondContact O-N 2.82Å; T116-H118 PolarHBondContact OG1-CE1 2.81Å; T116-H118 PolarHBondContact OG1-ND1 2.82Å; H118-Y259 AromaticContact CD2-CE2 3.87Å; H118-Y259 AromaticContact CD2-CZ 3.55Å; H118-Y259 PolarHBondContact CD2-OH 2.88Å; H118-Y259 AromaticContact NE2-CE1 3.74Å; H118-Y259 AromaticContact NE2-CZ 3.48Å; H118-Y259 PolarHBondContact NE2-OH 2.89Å; H118-Y259 VanDerWaalsContact NE2-OH 3.17Å; H118-M264 HydrophobicContact CB-CB 4.36Å; H118-M264 HydrophobicContact CB-SD 4.15Å; H118-L265 CarbonylContact C-O 3.57Å; H118-L265 VanDerWaalsContact CA-O 3.28Å; H118-L265 WeakPolarHBondContact CA-O 3.25Å; H118-C266 WeakPolarHBondContact NE2-CB 3.31Å; H118-C266 PolarHBondContact NE2-SG 3.15Å; H118-C266 VanDerWaalsContact NE2-SG 3.45Å; H118-L450 HydrophobicContact CB-CB 4.33Å; H118-L450 WeakPolarHBondContact O-CB 3.13Å; H118-L450 PolarHBondContact O-N 3.46Å
119	F	96.1	Very high	92.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	171.1	-59.5	-85.9	0	0	0	108.3	M264 L265 T267 V421 I425 D446 N448 L449	F119-M264 CarbonylContact O-C 3.38Å; F119-M264 VanDerWaalsContact O-CA 3.28Å; F119-M264 WeakPolarHBondContact O-CA 3.28Å; F119-M264 WeakPolarHBondContact O-CB 3.15Å; F119-L265 PolarHBondContact N-O 2.94Å; F119-L265 PolarHBondContact O-N 2.77Å; F119-T267 HydrophobicContact CD2-CG2 3.96Å; F119-T267 HydrophobicContact CE2-CG2 3.69Å; F119-V421 HydrophobicContact CE2-CG1 3.76Å; F119-V421 HydrophobicContact CZ-CG1 4.05Å; F119-I425 HydrophobicContact CB-CD1 4.42Å; F119-I425 HydrophobicContact CD1-CD1 4.25Å; F119-I425 HydrophobicContact CD1-CG1 3.75Å; F119-I425 HydrophobicContact CD2-CD1 3.92Å; F119-I425 HydrophobicContact CD2-CG1 3.79Å; F119-I425 HydrophobicContact CE1-CB 4.35Å; F119-I425 HydrophobicContact CE1-CD1 4.45Å; F119-I425 HydrophobicContact CE1-CG1 3.49Å; F119-I425 VanDerWaalsContact CE1-CG1 3.49Å; F119-I425 HydrophobicContact CE2-CD1 4.14Å; F119-I425 HydrophobicContact CE2-CG1 3.54Å; F119-I425 HydrophobicContact CG-CD1 3.95Å; F119-I425 HydrophobicContact CG-CG1 3.87Å; F119-I425 HydrophobicContact CZ-CB 4.34Å; F119-I425 HydrophobicContact CZ-CD1 4.38Å; F119-I425 HydrophobicContact CZ-CG1 3.37Å; F119-D446 VanDerWaalsContact CD1-O 3.27Å; F119-D446 WeakPolarHBondContact CD1-O 3.43Å; F119-N448 WeakPolarHBondContact CD1-O 3.26Å; F119-L449 HydrophobicContact CD1-CD2 4.27Å; F119-L449 HydrophobicContact CD2-CD2 4.43Å; F119-L449 HydrophobicContact CE1-CD2 3.59Å; F119-L449 HydrophobicContact CE1-CG 4.41Å; F119-L449 HydrophobicContact CE2-CD2 3.77Å; F119-L449 HydrophobicContact CZ-CD2 3.32Å; F119-L449 HydrophobicContact CZ-CG 4.41Å
120	R	95.3	Very high	92.5	Very high	89 Å²	89	52.3 Å²	52.3	34%	0.336	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	139.3	177.1	-58.5	179.4	173.4	156.7	-6.4	109.7	M264 F445 D446 L450 E768	R120-M264 HydrophobicContact CG-CG 4.21Å; R120-M264 HydrophobicContact CG-SD 4.05Å; R120-F445 WeakPolarHBondContact O-CA 2.78Å; R120-D446 HydrophobicContact CB-CB 4.47Å; R120-D446 WeakPolarHBondContact CB-OD2 3.28Å; R120-D446 WeakPolarHBondContact CD-OD2 3.44Å; R120-D446 WeakPolarHBondContact CG-OD2 3.14Å; R120-D446 PolarHBondContact O-N 2.89Å; R120-L450 HydrophobicContact CG-CD1 4.36Å; R120-E768 IonicContact NH2-OE2 3.31Å; R120-E768 PolarHBondContact NH2-OE2 3.43Å
121	L	93.6	Very high	92.4	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.089	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.5	167.1	173.2	61.4	0	0	0	106.9	Y212 I256 I263 L443 S444 F445	L121-Y212 HydrophobicContact CD2-CD1 3.79Å; L121-Y212 HydrophobicContact CD2-CD2 3.95Å; L121-Y212 HydrophobicContact CD2-CE1 4.11Å; L121-Y212 HydrophobicContact CD2-CE2 4.27Å; L121-Y212 HydrophobicContact CD2-CG 3.71Å; L121-I256 HydrophobicContact CD2-CD1 4.4Å; L121-I256 HydrophobicContact CD2-CG2 3.96Å; L121-I263 HydrophobicContact CB-CG2 4.23Å; L121-I263 HydrophobicContact CD2-CG2 3.97Å; L121-I263 PolarHBondContact N-O 3.12Å; L121-L443 HydrophobicContact CD1-CB 4.13Å; L121-L443 HydrophobicContact CD1-CD2 4.43Å; L121-S444 WeakPolarHBondContact CD1-O 3.36Å; L121-F445 HydrophobicContact CB-CD1 4.28Å; L121-F445 HydrophobicContact CB-CE1 4Å; L121-F445 HydrophobicContact CD1-CD1 4.19Å; L121-F445 HydrophobicContact CD1-CE1 3.75Å; L121-F445 HydrophobicContact CD1-CZ 3.95Å; L121-F445 HydrophobicContact CG-CE1 4.36Å
122	T	90.8	Very high	92.3	Very high	53 Å²	53	41 Å²	41	33%	0.325	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	142.6	176.8	50.5	0	0	0	0	109.9	L443 S444	T122-L443 CarbonylContact O-C 3.57Å; T122-L443 WeakPolarHBondContact O-CA 3.43Å; T122-S444 PolarHBondContact N-O 3.19Å; T122-S444 PolarHBondContact O-N 2.92Å; T122-S444 PolarHBondContact OG1-O 2.9Å; T122-S444 PolarHBondContact OG1-OG 3.08Å
123	S	88.4	Confident	92.2	Very high	44 Å²	44	43.5 Å²	43.5	31%	0.308	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.8	169.7	63.4	0	0	0	0	109.6	G442	S123-G442 WeakPolarHBondContact CA-O 3.36Å
124	R	86.6	Confident	92.1	Very high	100 Å²	100	38 Å²	38	38%	0.377	19%	0.191	S	C	.	.			trans	-55.5	157.2	168.8	68.2	-175.4	-175.2	-137	-5.9	111.8	W127 P171 G442	R124-W127 HydrophobicContact CG-CB 4Å; R124-W127 HydrophobicContact CG-CG 4.38Å; R124-W127 VanDerWaalsContact O-CB 3.28Å; R124-W127 WeakPolarHBondContact O-CB 3.49Å; R124-W127 PolarHBondContact O-N 3.41Å; R124-P171 PolarHBondContact NH2-O 2.98Å; R124-G442 PolarHBondContact N-O 2.99Å
125	P	81.5	Confident	91.9	Very high	123 Å²	123	41.6 Å²	41.6	80%	0.799	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	145.6	172.5	-25.6	35.3	0	0	0	112	W127	P125-W127 PolarHBondContact O-N 3Å; P125-W127 VanDerWaalsContact O-N 3.1Å
126	Q	80.4	Confident	91.7	Very high	199 Å²	199	42 Å²	42	93%	0.93	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	26.8	-179.6	-58.7	177.7	-13.6	0	0	114.6	A128	Q126-A128 PolarHBondContact O-N 2.77Å
127	W	88.6	Confident	91.4	Very high	9 Å²	9	47 Å²	47	3%	0.034	24%	0.238	C	C	.	.			trans	-67.4	134	175.5	-171.8	98.6	0	0	0	111.8	R124 P125 L129 P203 C208 F211 Y212 W441 L443	R124-W127 HydrophobicContact CG-CB 4Å; R124-W127 HydrophobicContact CG-CG 4.38Å; R124-W127 VanDerWaalsContact O-CB 3.28Å; R124-W127 WeakPolarHBondContact O-CB 3.49Å; R124-W127 PolarHBondContact O-N 3.41Å; P125-W127 PolarHBondContact O-N 3Å; P125-W127 VanDerWaalsContact O-N 3.1Å; W127-L129 HydrophobicContact CH2-CB 3.62Å; W127-L129 HydrophobicContact CH2-CD1 4.05Å; W127-L129 HydrophobicContact CH2-CG 4.3Å; W127-L129 HydrophobicContact CZ2-CB 4.37Å; W127-L129 HydrophobicContact CZ2-CD1 4.19Å; W127-L129 HydrophobicContact CZ3-CB 3.82Å; W127-P203 HydrophobicContact CE3-CB 4.41Å; W127-P203 HydrophobicContact CE3-CG 3.93Å; W127-P203 HydrophobicContact CZ3-CG 4.48Å; W127-P203 WeakPolarHBondContact O-CD 3.31Å; W127-C208 VanDerWaalsContact CH2-SG 3.54Å; W127-C208 WeakPolarHBondContact CZ3-SG 3.44Å; W127-F211 HydrophobicContact CH2-CE1 4.3Å; W127-F211 HydrophobicContact CZ2-CE1 4.35Å; W127-Y212 AromaticContact CH2-CE1 3.63Å; W127-Y212 HydrophobicContact CH2-CE1 3.63Å; W127-Y212 AromaticContact CH2-CZ 3.8Å; W127-Y212 WeakPolarHBondContact CH2-OH 3.23Å; W127-Y212 HydrophobicContact CZ2-CE1 4.12Å; W127-Y212 HydrophobicContact CZ3-CE1 4.25Å; W127-Y212 AromaticContact CZ3-CZ 3.95Å; W127-Y212 WeakPolarHBondContact CZ3-OH 3.34Å; W127-W441 PolarHBondContact NE1-O 2.85Å; W127-L443 HydrophobicContact CZ2-CD2 4.13Å
128	A	89	Confident	90.8	Very high	17 Å²	17	50 Å²	50	14%	0.14	26%	0.257	C	S	.	.			trans	-139.2	150.1	171	0	0	0	0	0	109.3	Q126 Y130	Q126-A128 PolarHBondContact O-N 2.77Å; A128-Y130 HydrophobicContact CB-CE2 4.28Å; A128-Y130 WeakPolarHBondContact O-CE2 3.27Å
129	L	92.2	Very high	89.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	119.2	174.7	-172.6	71.3	0	0	0	109.4	W127 F169 L201 F211 W441	W127-L129 HydrophobicContact CH2-CB 3.62Å; W127-L129 HydrophobicContact CH2-CD1 4.05Å; W127-L129 HydrophobicContact CH2-CG 4.3Å; W127-L129 HydrophobicContact CZ2-CB 4.37Å; W127-L129 HydrophobicContact CZ2-CD1 4.19Å; W127-L129 HydrophobicContact CZ3-CB 3.82Å; L129-F169 HydrophobicContact CD1-CB 4.08Å; L129-F169 HydrophobicContact CD2-CB 4.44Å; L129-F169 HydrophobicContact CD2-CD1 3.64Å; L129-F169 HydrophobicContact CD2-CE1 4.17Å; L129-F169 HydrophobicContact CD2-CG 4.23Å; L129-F169 HydrophobicContact CG-CB 4.29Å; L129-F169 HydrophobicContact CG-CD1 3.92Å; L129-F169 HydrophobicContact CG-CG 4.49Å; L129-L201 HydrophobicContact CB-CB 4.21Å; L129-L201 HydrophobicContact CD2-CD1 4.23Å; L129-L201 PolarHBondContact N-O 3.32Å; L129-L201 WeakPolarHBondContact O-CB 3.4Å; L129-L201 PolarHBondContact O-N 3.1Å; L129-F211 HydrophobicContact CD1-CD1 4.05Å; L129-F211 HydrophobicContact CD1-CD2 4.24Å; L129-F211 HydrophobicContact CD1-CE1 3.77Å; L129-F211 HydrophobicContact CD1-CE2 3.96Å; L129-F211 HydrophobicContact CD1-CG 4.3Å; L129-F211 HydrophobicContact CD1-CZ 3.73Å; L129-F211 HydrophobicContact CD2-CB 3.72Å; L129-F211 HydrophobicContact CD2-CD1 3.55Å; L129-F211 HydrophobicContact CD2-CD2 3.86Å; L129-F211 HydrophobicContact CD2-CE1 4.16Å; L129-F211 HydrophobicContact CD2-CE2 4.41Å; L129-F211 HydrophobicContact CD2-CG 3.4Å; L129-F211 HydrophobicContact CG-CD1 4.44Å; L129-F211 HydrophobicContact CG-CG 4.5Å; L129-W441 HydrophobicContact CD1-CE3 4.37Å; L129-W441 HydrophobicContact CD1-CZ3 3.74Å
130	Y	93.1	Very high	89.2	Confident	38 Å²	38	58.1 Å²	58.1	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.3	-176.9	-59.1	-84.6	0	0	0	109.8	A128 Y132 F169 L170 K172 R173 L197 E200	A128-Y130 HydrophobicContact CB-CE2 4.28Å; A128-Y130 WeakPolarHBondContact O-CE2 3.27Å; Y130-Y132 VanDerWaalsContact CB-CE2 3.48Å; Y130-F169 WeakPolarHBondContact O-CA 3.28Å; Y130-L170 PolarHBondContact N-O 2.85Å; Y130-L170 VanDerWaalsContact N-O 3.07Å; Y130-L170 PolarHBondContact O-N 2.75Å; Y130-K172 WeakPolarHBondContact CD2-O 3.39Å; Y130-R173 HydrophobicContact CD1-CB 3.93Å; Y130-R173 HydrophobicContact CD1-CG 3.72Å; Y130-R173 HydrophobicContact CD2-CB 4.36Å; Y130-R173 HydrophobicContact CE1-CB 3.64Å; Y130-R173 HydrophobicContact CE1-CG 3.57Å; Y130-R173 HydrophobicContact CE2-CB 4.1Å; Y130-R173 HydrophobicContact CG-CB 4.27Å; Y130-R173 HydrophobicContact CG-CG 4.44Å; Y130-L197 HydrophobicContact CD1-CD1 4.35Å; Y130-E200 HydrophobicContact CD1-CB 4.42Å; Y130-E200 HydrophobicContact CD1-CG 3.92Å; Y130-E200 HydrophobicContact CE1-CB 4.41Å; Y130-E200 HydrophobicContact CE1-CG 4.03Å
131	Q	93.8	Very high	88.1	Confident	24 Å²	24	62.5 Å²	62.5	11%	0.112	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.8	-178.9	-175.9	-170.9	-31.8	0	0	110.6	I167 F169 T198 N199 L201	Q131-I167 HydrophobicContact CG-CG2 3.57Å; Q131-F169 HydrophobicContact CB-CD1 3.97Å; Q131-F169 HydrophobicContact CB-CE1 3.8Å; Q131-F169 HydrophobicContact CG-CD1 4.08Å; Q131-F169 HydrophobicContact CG-CE1 3.57Å; Q131-F169 HydrophobicContact CG-CZ 4.16Å; Q131-T198 PolarHBondContact O-N 3.29Å; Q131-T198 PolarHBondContact O-OG1 3.2Å; Q131-N199 HydrophobicContact CB-CB 4.19Å; Q131-N199 PolarHBondContact N-O 2.96Å; Q131-N199 PolarHBondContact O-N 3.37Å; Q131-N199 PolarHBondContact OE1-ND2 3.12Å; Q131-L201 HydrophobicContact CB-CD1 4.12Å
132	Y	94.2	Very high	87.3	Confident	1 Å²	1	64.4 Å²	64.4	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.5	177.4	-52.5	-102.5	0	0	0	111	Y130 I167 L168 L170 R173 L174 I195 T196 L197	Y130-Y132 VanDerWaalsContact CB-CE2 3.48Å; Y132-I167 WeakPolarHBondContact O-CA 3.24Å; Y132-L168 PolarHBondContact N-O 3.35Å; Y132-L168 PolarHBondContact O-N 3.2Å; Y132-L170 HydrophobicContact CD2-CD1 4.11Å; Y132-L170 HydrophobicContact CD2-CG 4.1Å; Y132-L170 HydrophobicContact CE2-CB 3.98Å; Y132-L170 HydrophobicContact CE2-CD1 3.62Å; Y132-L170 HydrophobicContact CE2-CG 3.79Å; Y132-R173 WeakPolarHBondContact OH-CA 3.4Å; Y132-L174 HydrophobicContact CD1-CD1 4.15Å; Y132-L174 HydrophobicContact CE1-CB 4.07Å; Y132-L174 HydrophobicContact CE1-CD1 3.74Å; Y132-L174 HydrophobicContact CE1-CG 3.85Å; Y132-L174 PolarHBondContact OH-N 2.91Å; Y132-I195 HydrophobicContact CD1-CG2 3.79Å; Y132-I195 HydrophobicContact CG-CG2 4.03Å; Y132-T196 CarbonylContact C-O 3.59Å; Y132-T196 WeakPolarHBondContact CA-O 3.49Å; Y132-L197 VanDerWaalsContact CD1-CA 3.49Å; Y132-L197 HydrophobicContact CD1-CB 3.81Å; Y132-L197 HydrophobicContact CD1-CD1 4.13Å; Y132-L197 HydrophobicContact CE1-CB 3.68Å; Y132-L197 HydrophobicContact CE1-CD1 3.7Å; Y132-L197 HydrophobicContact CE1-CG 4.23Å; Y132-L197 HydrophobicContact CE2-CD1 4.23Å
133	H	94.8	Very high	86.7	Confident	71 Å²	71	68 Å²	68	33%	0.329	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	142.5	162.6	-164	44	0	0	0	109.4	D135 T166 T196 T198	H133-D135 IonicContact CD2-OD1 2.75Å; H133-D135 IonicContact CD2-OD2 2.68Å; H133-D135 PolarHBondContact CD2-OD2 3.34Å; H133-D135 VanDerWaalsContact CD2-OD2 3.28Å; H133-D135 IonicContact NE2-OD1 3.86Å; H133-D135 IonicContact NE2-OD2 3.59Å; H133-T166 PolarHBondContact ND1-O 3.17Å; H133-T196 PolarHBondContact N-O 3.35Å; H133-T196 PolarHBondContact O-N 3.34Å; H133-T198 HydrophobicContact CB-CG2 3.81Å
134	I	94.4	Very high	86.4	Confident	3 Å²	3	76.7 Å²	76.7	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	109.3	-177.6	-46	-65.5	0	0	0	109.2	Y136 L150 F163 T166 L168 I193 I195	I134-Y136 HydrophobicContact CB-CE2 4.18Å; I134-Y136 HydrophobicContact CG2-CD2 4.35Å; I134-Y136 HydrophobicContact CG2-CE2 3.5Å; I134-Y136 VanDerWaalsContact CG2-CE2 3.5Å; I134-Y136 WeakPolarHBondContact CG2-OH 3.46Å; I134-L150 HydrophobicContact CD1-CD1 4.44Å; I134-L150 HydrophobicContact CD1-CD2 4.48Å; I134-L150 HydrophobicContact CG1-CD2 4.26Å; I134-L150 HydrophobicContact CG2-CD1 4.23Å; I134-L150 HydrophobicContact CG2-CD2 4.38Å; I134-F163 HydrophobicContact CB-CE2 3.93Å; I134-F163 HydrophobicContact CB-CZ 4.29Å; I134-F163 HydrophobicContact CG1-CD2 4.24Å; I134-F163 HydrophobicContact CG1-CE2 3.6Å; I134-F163 HydrophobicContact CG1-CZ 4.36Å; I134-F163 HydrophobicContact CG2-CE2 4.49Å; I134-F163 HydrophobicContact CG2-CZ 4.45Å; I134-T166 PolarHBondContact N-O 3.21Å; I134-L168 HydrophobicContact CD1-CB 3.71Å; I134-L168 HydrophobicContact CD1-CD2 3.79Å; I134-L168 HydrophobicContact CD1-CG 4.41Å; I134-L168 HydrophobicContact CG1-CB 3.75Å; I134-I193 HydrophobicContact CG2-CG2 3.44Å; I134-I193 VanDerWaalsContact CG2-CG2 3.44Å; I134-I195 HydrophobicContact CD1-CB 4.06Å; I134-I195 HydrophobicContact CD1-CG1 3.85Å; I134-I195 HydrophobicContact CD1-CG2 3.69Å
135	D	93.1	Very high	86.2	Confident	76 Å²	76	75.2 Å²	75.2	41%	0.406	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	151.8	174.5	-72.6	-59.5	0	0	0	111.1	H133 I193 T194	H133-D135 IonicContact CD2-OD1 2.75Å; H133-D135 IonicContact CD2-OD2 2.68Å; H133-D135 PolarHBondContact CD2-OD2 3.34Å; H133-D135 VanDerWaalsContact CD2-OD2 3.28Å; H133-D135 IonicContact NE2-OD1 3.86Å; H133-D135 IonicContact NE2-OD2 3.59Å; D135-I193 WeakPolarHBondContact O-CA 3.47Å; D135-T194 PolarHBondContact N-O 3.49Å; D135-T194 PolarHBondContact O-N 2.86Å
136	Y	90.8	Very high	86.5	Confident	13 Å²	13	71.8 Å²	71.8	5%	0.051	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.2	-177.2	-63.1	-103.5	0	0	0	109.4	I134 P138 M140 R146 L149 F163 V191 R192 I193	I134-Y136 HydrophobicContact CB-CE2 4.18Å; I134-Y136 HydrophobicContact CG2-CD2 4.35Å; I134-Y136 HydrophobicContact CG2-CE2 3.5Å; I134-Y136 VanDerWaalsContact CG2-CE2 3.5Å; I134-Y136 WeakPolarHBondContact CG2-OH 3.46Å; Y136-P138 CarbonylContact C-O 3.56Å; Y136-P138 CarbonylContact O-C 3.44Å; Y136-M140 HydrophobicContact CD1-CB 4.27Å; Y136-M140 HydrophobicContact CD1-CG 4.02Å; Y136-M140 HydrophobicContact CG-CB 4.21Å; Y136-M140 HydrophobicContact CG-CG 4.23Å; Y136-R146 HydrophobicContact CD1-CG 4.12Å; Y136-R146 HydrophobicContact CD2-CG 3.84Å; Y136-R146 HydrophobicContact CE1-CB 3.98Å; Y136-R146 HydrophobicContact CE1-CG 3.85Å; Y136-R146 HydrophobicContact CE2-CB 3.94Å; Y136-R146 VanDerWaalsContact CE2-CD 3.5Å; Y136-R146 HydrophobicContact CE2-CG 3.59Å; Y136-R146 HydrophobicContact CG-CG 4.12Å; Y136-R146 PolarHBondContact OH-O 2.79Å; Y136-L149 HydrophobicContact CD1-CD1 4.5Å; Y136-L149 HydrophobicContact CE1-CB 4.38Å; Y136-F163 HydrophobicContact CE2-CZ 4.37Å; Y136-F163 VanDerWaalsContact OH-CZ 3.24Å; Y136-F163 WeakPolarHBondContact OH-CZ 3.23Å; Y136-V191 HydrophobicContact CD1-CG1 4.19Å; Y136-R192 WeakPolarHBondContact CA-O 3.31Å; Y136-I193 HydrophobicContact CD1-CD1 4.08Å; Y136-I193 HydrophobicContact CD1-CG1 3.81Å; Y136-I193 HydrophobicContact CE1-CD1 3.65Å; Y136-I193 HydrophobicContact CE1-CG1 3.87Å; Y136-I193 HydrophobicContact CE1-CG2 4.23Å
137	N	88.8	Confident	86.9	Confident	106 Å²	106	63.2 Å²	63.2	57%	0.567	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	114.4	173.1	-175.1	16.2	0	0	0	109.8	R192	N137-R192 HydrophobicContact CB-CB 4.49Å; N137-R192 PolarHBondContact N-O 2.99Å; N137-R192 PolarHBondContact O-N 2.91Å
138	P	84.6	Confident	86.9	Confident	62 Å²	62	65.6 Å²	65.6	40%	0.403	33%	0.329	S	S	.	.	S	Bend	cis	-66.3	161.6	-0.3	25	-32.1	0	0	0	114	Y136 M140	Y136-P138 CarbonylContact C-O 3.56Å; Y136-P138 CarbonylContact O-C 3.44Å; P138-M140 HydrophobicContact CB-CE 4.27Å; P138-M140 HydrophobicContact CG-CE 3.82Å; P138-M140 WeakPolarHBondContact O-CE 3.31Å; P138-M140 PolarHBondContact O-N 3.15Å
139	L	77.9	Confident	87	Confident	150 Å²	150	64.9 Å²	64.9	79%	0.785	32%	0.323	S	S	*	.			trans	-64.9	124.2	-175.9	-79.9	169.9	0	0	0	112.3
140	M	81.8	Confident	87.1	Confident	25 Å²	25	64.9 Å²	64.9	12%	0.123	32%	0.323	C	S	.	.			trans	-103.3	96.4	-177.3	-67.4	-65.8	119.9	0	0	111.7	Y136 P138 A142 L145 R146 L149 V191	Y136-M140 HydrophobicContact CD1-CB 4.27Å; Y136-M140 HydrophobicContact CD1-CG 4.02Å; Y136-M140 HydrophobicContact CG-CB 4.21Å; Y136-M140 HydrophobicContact CG-CG 4.23Å; P138-M140 HydrophobicContact CB-CE 4.27Å; P138-M140 HydrophobicContact CG-CE 3.82Å; P138-M140 WeakPolarHBondContact O-CE 3.31Å; P138-M140 PolarHBondContact O-N 3.15Å; M140-A142 PolarHBondContact O-N 3.07Å; M140-L145 HydrophobicContact SD-CD2 3.51Å; M140-L145 VanDerWaalsContact SD-CD2 3.51Å; M140-L145 HydrophobicContact SD-CG 4.12Å; M140-R146 HydrophobicContact CB-CG 3.48Å; M140-R146 VanDerWaalsContact CB-CG 3.48Å; M140-R146 WeakPolarHBondContact O-CD 3.36Å; M140-R146 WeakPolarHBondContact O-CG 3.35Å; M140-R146 PolarHBondContact O-NE 2.77Å; M140-L149 HydrophobicContact CG-CD1 3.93Å; M140-L149 HydrophobicContact SD-CD1 4.06Å; M140-V191 HydrophobicContact CE-CG2 4.13Å; M140-V191 HydrophobicContact CG-CG1 4.27Å
141	E	72.3	Confident	87.1	Confident	182 Å²	182	66.8 Å²	66.8	85%	0.85	33%	0.332	S	S	*	.			trans	-60.7	-48.7	-178.6	-61.4	-164.5	148.3	0	0	112.7	R143 R146	E141-R143 PolarHBondContact O-N 2.99Å; E141-R143 VanDerWaalsContact O-N 3.14Å; E141-R146 PolarHBondContact O-NH2 2.6Å
142	A	75.8	Confident	87	Confident	56 Å²	56	70.2 Å²	70.2	46%	0.463	35%	0.348	S	S	.	.			trans	-67.7	111.7	-172.9	0	0	0	0	0	112.1	M140 R144 L145 R146	M140-A142 PolarHBondContact O-N 3.07Å; A142-R144 PolarHBondContact O-N 3.35Å; A142-R144 VanDerWaalsContact O-N 3.16Å; A142-L145 HydrophobicContact CB-CB 3.98Å; A142-L145 WeakPolarHBondContact O-CB 2.96Å; A142-L145 PolarHBondContact O-N 2.98Å; A142-R146 PolarHBondContact O-N 2.96Å
143	R	78.7	Confident	86.9	Confident	129 Å²	129	71.8 Å²	71.8	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-52.3	-39.3	177.5	174.3	176.8	167.2	156.5	0.2	113.2	E141 L145 R146 S147 F163 D164	E141-R143 PolarHBondContact O-N 2.99Å; E141-R143 VanDerWaalsContact O-N 3.14Å; R143-L145 VanDerWaalsContact C-N 3.34Å; R143-R146 PolarHBondContact O-N 3.39Å; R143-S147 PolarHBondContact O-N 2.9Å; R143-S147 PolarHBondContact O-OG 3.07Å; R143-S147 VanDerWaalsContact O-OG 3.07Å; R143-F163 PolarHBondContact NH2-O 2.87Å; R143-D164 VanDerWaalsContact CD-O 3.31Å; R143-D164 WeakPolarHBondContact CD-O 3.45Å; R143-D164 VanDerWaalsContact CZ-C 3.45Å; R143-D164 PolarHBondContact NE-O 3.19Å; R143-D164 VanDerWaalsContact NE-O 3.15Å; R143-D164 PolarHBondContact NH1-O 3.47Å
144	R	82.4	Confident	86.7	Confident	227 Å²	227	72 Å²	72	86%	0.857	36%	0.357	S	S	*	.	H	α-helix	trans	-63.1	-39.9	178.2	-73.9	-176.8	177.3	169.4	-1.9	111.9	A142 A148	A142-R144 PolarHBondContact O-N 3.35Å; A142-R144 VanDerWaalsContact O-N 3.16Å; R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.03Å
145	L	82.9	Confident	86.5	Confident	69 Å²	69	79.9 Å²	79.9	36%	0.361	40%	0.399	S	S	.	.	H	α-helix	trans	-67.8	-47.6	177.2	-179.2	58.8	0	0	0	110.7	M140 A142 R143 S147 A148 L149	M140-L145 HydrophobicContact SD-CD2 3.51Å; M140-L145 VanDerWaalsContact SD-CD2 3.51Å; M140-L145 HydrophobicContact SD-CG 4.12Å; A142-L145 HydrophobicContact CB-CB 3.98Å; A142-L145 WeakPolarHBondContact O-CB 2.96Å; A142-L145 PolarHBondContact O-N 2.98Å; R143-L145 VanDerWaalsContact C-N 3.34Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3.24Å; L145-A148 PolarHBondContact O-N 2.81Å; L145-A148 VanDerWaalsContact O-N 3.09Å; L145-L149 HydrophobicContact CD1-CD1 4.09Å; L145-L149 HydrophobicContact CD1-CD2 4.5Å; L145-L149 HydrophobicContact CD1-CG 4.07Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.37Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.84Å
146	R	87.2	Confident	86.4	Confident	51 Å²	51	79.5 Å²	79.5	19%	0.192	40%	0.396	C	S	.	.	H	α-helix	trans	-51.1	-50.3	172.3	-78.8	-173.1	-85.3	174.1	-18	112.6	Y136 M140 E141 A142 R143 L149 L150 F163 G165	Y136-R146 HydrophobicContact CD1-CG 4.12Å; Y136-R146 HydrophobicContact CD2-CG 3.84Å; Y136-R146 HydrophobicContact CE1-CB 3.98Å; Y136-R146 HydrophobicContact CE1-CG 3.85Å; Y136-R146 HydrophobicContact CE2-CB 3.94Å; Y136-R146 VanDerWaalsContact CE2-CD 3.5Å; Y136-R146 HydrophobicContact CE2-CG 3.59Å; Y136-R146 HydrophobicContact CG-CG 4.12Å; Y136-R146 PolarHBondContact OH-O 2.79Å; M140-R146 HydrophobicContact CB-CG 3.48Å; M140-R146 VanDerWaalsContact CB-CG 3.48Å; M140-R146 WeakPolarHBondContact O-CD 3.36Å; M140-R146 WeakPolarHBondContact O-CG 3.35Å; M140-R146 PolarHBondContact O-NE 2.77Å; E141-R146 PolarHBondContact O-NH2 2.6Å; A142-R146 PolarHBondContact O-N 2.96Å; R143-R146 PolarHBondContact O-N 3.39Å; R146-L149 PolarHBondContact O-N 2.84Å; R146-L150 WeakPolarHBondContact O-CB 3.35Å; R146-L150 PolarHBondContact O-N 3.1Å; R146-F163 HydrophobicContact CB-CE1 4.29Å; R146-G165 WeakPolarHBondContact CD-O 3.3Å; R146-G165 PolarHBondContact NH1-O 3.36Å
147	S	89.4	Confident	86.5	Confident	19 Å²	19	79.3 Å²	79.3	13%	0.133	40%	0.396	C	S	.	.	H	α-helix	trans	-60.6	-46.6	176.1	-57.7	0	0	0	0	112	R143 L145 L149 L150 F151 F163	R143-S147 PolarHBondContact O-N 2.9Å; R143-S147 PolarHBondContact O-OG 3.07Å; R143-S147 VanDerWaalsContact O-OG 3.07Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 3.24Å; S147-L149 PolarHBondContact O-N 2.77Å; S147-L150 PolarHBondContact O-N 3.16Å; S147-F151 WeakPolarHBondContact O-CB 3.28Å; S147-F151 VanDerWaalsContact O-CD1 3.31Å; S147-F151 WeakPolarHBondContact O-CD1 3.38Å; S147-F151 VanDerWaalsContact O-CD2 3.23Å; S147-F151 WeakPolarHBondContact O-CD2 3.48Å; S147-F151 WeakPolarHBondContact O-CG 3.42Å; S147-F151 PolarHBondContact O-N 2.97Å; S147-F163 WeakPolarHBondContact OG-CD1 2.79Å
148	A	88.9	Confident	86.5	Confident	58 Å²	58	75.7 Å²	75.7	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-37.7	-179.7	0	0	0	0	0	113.5	R144 L145	R144-A148 WeakPolarHBondContact O-CB 3.44Å; R144-A148 PolarHBondContact O-N 3.03Å; L145-A148 PolarHBondContact O-N 2.81Å; L145-A148 VanDerWaalsContact O-N 3.09Å
149	L	91.1	Very high	86.5	Confident	3 Å²	3	80.3 Å²	80.3	2%	0.016	40%	0.397	C	S	.	.	H	α-helix	trans	-68.9	-53	175.7	-66.3	168.3	0	0	0	110.7	Y136 M140 L145 R146 S147 F151 Q152 S183 K184 T185 V191 I193	Y136-L149 HydrophobicContact CD1-CD1 4.5Å; Y136-L149 HydrophobicContact CE1-CB 4.38Å; M140-L149 HydrophobicContact CG-CD1 3.93Å; M140-L149 HydrophobicContact SD-CD1 4.06Å; L145-L149 HydrophobicContact CD1-CD1 4.09Å; L145-L149 HydrophobicContact CD1-CD2 4.5Å; L145-L149 HydrophobicContact CD1-CG 4.07Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.37Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.84Å; R146-L149 PolarHBondContact O-N 2.84Å; S147-L149 PolarHBondContact O-N 2.77Å; L149-F151 PolarHBondContact O-N 3.01Å; L149-Q152 VanDerWaalsContact O-CB 3.25Å; L149-Q152 WeakPolarHBondContact O-CB 3.48Å; L149-Q152 WeakPolarHBondContact O-CG 3.45Å; L149-Q152 PolarHBondContact O-N 2.82Å; L149-S183 PolarHBondContact O-OG 3.12Å; L149-S183 VanDerWaalsContact O-OG 3.1Å; L149-K184 WeakPolarHBondContact CD2-O 3.35Å; L149-T185 HydrophobicContact CD2-CG2 4.31Å; L149-V191 HydrophobicContact CD1-CB 4.41Å; L149-V191 HydrophobicContact CD1-CG1 4.28Å; L149-V191 HydrophobicContact CD1-CG2 4.24Å; L149-I193 HydrophobicContact CB-CD1 4Å
150	L	92.9	Very high	87	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-56.5	-37	179	-179.2	64.2	0	0	0	112.7	I134 R146 S147 Q152 H153 I157 F163 L168 I193 I195	I134-L150 HydrophobicContact CD1-CD1 4.44Å; I134-L150 HydrophobicContact CD1-CD2 4.48Å; I134-L150 HydrophobicContact CG1-CD2 4.26Å; I134-L150 HydrophobicContact CG2-CD1 4.23Å; I134-L150 HydrophobicContact CG2-CD2 4.38Å; R146-L150 WeakPolarHBondContact O-CB 3.35Å; R146-L150 PolarHBondContact O-N 3.1Å; S147-L150 PolarHBondContact O-N 3.16Å; L150-Q152 PolarHBondContact O-N 3.24Å; L150-H153 PolarHBondContact O-N 3.14Å; L150-H153 VanDerWaalsContact O-N 3.17Å; L150-I157 HydrophobicContact CG-CD1 4.08Å; L150-F163 HydrophobicContact CD2-CB 4.48Å; L150-F163 HydrophobicContact CD2-CD1 3.7Å; L150-F163 HydrophobicContact CD2-CD2 3.77Å; L150-F163 HydrophobicContact CD2-CE1 3.73Å; L150-F163 HydrophobicContact CD2-CE2 3.83Å; L150-F163 HydrophobicContact CD2-CG 3.73Å; L150-F163 HydrophobicContact CD2-CZ 3.8Å; L150-L168 HydrophobicContact CD2-CD1 4.21Å; L150-L168 HydrophobicContact CD2-CD2 4.39Å; L150-I193 HydrophobicContact CB-CD1 4.5Å; L150-I193 HydrophobicContact CD1-CG2 4.27Å; L150-I195 HydrophobicContact CD1-CD1 3.89Å; L150-I195 HydrophobicContact CD1-CG1 4.43Å
151	F	92.9	Very high	87.4	Confident	77 Å²	77	73.6 Å²	73.6	34%	0.338	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-76.5	-5.4	-179.8	-56	-13.7	0	0	0	113.6	S147 L149 H153 I157 H161 F163	S147-F151 WeakPolarHBondContact O-CB 3.28Å; S147-F151 VanDerWaalsContact O-CD1 3.31Å; S147-F151 WeakPolarHBondContact O-CD1 3.38Å; S147-F151 VanDerWaalsContact O-CD2 3.23Å; S147-F151 WeakPolarHBondContact O-CD2 3.48Å; S147-F151 WeakPolarHBondContact O-CG 3.42Å; S147-F151 PolarHBondContact O-N 2.97Å; L149-F151 PolarHBondContact O-N 3.01Å; F151-H153 PolarHBondContact O-N 2.7Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; F151-H161 AromaticContact CD1-CE1 3.94Å; F151-H161 AromaticContact CD1-NE2 3.52Å; F151-H161 AromaticContact CE1-CD2 3.65Å; F151-H161 AromaticContact CE1-NE2 3.15Å; F151-H161 WeakPolarHBondContact CE1-NE2 3.15Å; F151-H161 AromaticContact CZ-NE2 3.44Å; F151-H161 WeakPolarHBondContact CZ-NE2 3.07Å; F151-F163 HydrophobicContact CE1-CB 4.04Å; F151-F163 HydrophobicContact CE1-CD1 4.07Å; F151-F163 HydrophobicContact CE1-CG 4.42Å; F151-F163 HydrophobicContact CZ-CB 4.19Å; F151-F163 HydrophobicContact CZ-CD1 4.24Å
152	Q	92.1	Very high	88.1	Confident	97 Å²	97	65.8 Å²	65.8	45%	0.453	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-63.7	-23	164.6	-62.1	179.4	8.3	0	0	111.5	L149 L150 E154 S183 K184	L149-Q152 VanDerWaalsContact O-CB 3.25Å; L149-Q152 WeakPolarHBondContact O-CB 3.48Å; L149-Q152 WeakPolarHBondContact O-CG 3.45Å; L149-Q152 PolarHBondContact O-N 2.82Å; L150-Q152 PolarHBondContact O-N 3.24Å; Q152-E154 PolarHBondContact O-N 3.41Å; Q152-S183 VanDerWaalsContact OE1-CB 3.32Å; Q152-K184 PolarHBondContact NE2-O 3.21Å
153	H	93.2	Very high	88.6	Confident	34 Å²	34	64 Å²	64	16%	0.157	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-99.8	36.6	-178.5	-55.5	-66.6	0	0	0	112.4	L150 F151 D155 L156 I157 V181 F182 S183	L150-H153 PolarHBondContact O-N 3.14Å; L150-H153 VanDerWaalsContact O-N 3.17Å; F151-H153 PolarHBondContact O-N 2.7Å; H153-D155 PolarHBondContact O-N 2.93Å; H153-L156 HydrophobicContact CB-CB 4.45Å; H153-L156 WeakPolarHBondContact O-CB 3.38Å; H153-L156 PolarHBondContact O-N 3.26Å; H153-I157 PolarHBondContact O-N 3.07Å; H153-I157 VanDerWaalsContact O-N 3.08Å; H153-V181 WeakPolarHBondContact CD2-CG2 3.37Å; H153-F182 PolarHBondContact CE1-O 3.46Å; H153-F182 PolarHBondContact NE2-O 3.28Å; H153-S183 PolarHBondContact CD2-OG 2.91Å; H153-S183 PolarHBondContact NE2-OG 3.44Å
154	E	90.4	Very high	88.7	Confident	76 Å²	76	60.9 Å²	60.9	36%	0.355	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-31.5	-179	-168.6	176.1	109.5	0	0	113	Q152 L156 G158 K159	Q152-E154 PolarHBondContact O-N 3.41Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.88Å; E154-G158 CarbonylContact O-C 3.6Å; E154-G158 WeakPolarHBondContact O-CA 3.48Å; E154-G158 PolarHBondContact O-N 3.09Å; E154-K159 HydrophobicContact CG-CG 3.94Å; E154-K159 WeakPolarHBondContact OE1-CE 3.49Å; E154-K159 WeakPolarHBondContact OE1-CG 3.44Å; E154-K159 IonicContact OE1-NZ 2.76Å
155	D	90.1	Very high	88.5	Confident	168 Å²	168	50.1 Å²	50.1	90%	0.898	26%	0.264	S	S	*	.	H	α-helix	trans	-65.7	-30.7	175.8	-62.1	-45	0	0	0	113.1	H153	H153-D155 PolarHBondContact O-N 2.93Å
156	L	91.4	Very high	88.6	Confident	68 Å²	68	49.5 Å²	49.5	36%	0.356	26%	0.263	S	S	.	.	H	α-helix	trans	-82.8	-52.3	177.3	174	67.2	0	0	0	111.6	H153 E154 L174 T179 V181 I195	H153-L156 HydrophobicContact CB-CB 4.45Å; H153-L156 WeakPolarHBondContact O-CB 3.38Å; H153-L156 PolarHBondContact O-N 3.26Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 2.88Å; L156-L174 HydrophobicContact CD1-CD2 4.08Å; L156-L174 HydrophobicContact CG-CD2 4.26Å; L156-L174 WeakPolarHBondContact O-CD2 3.17Å; L156-T179 HydrophobicContact CD1-CG2 4.41Å; L156-T179 HydrophobicContact CD2-CG2 3.74Å; L156-V181 HydrophobicContact CD2-CG1 3.53Å; L156-I195 HydrophobicContact CD2-CD1 4.19Å
157	I	91.3	Very high	88.8	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.046	27%	0.265	C	S	.	.	H	α-helix	trans	-84.8	-17.8	-173	70.3	179.9	0	0	0	112.8	L150 F151 H153 L168 L170 I195	L150-I157 HydrophobicContact CG-CD1 4.08Å; F151-I157 HydrophobicContact CD1-CD1 4.13Å; H153-I157 PolarHBondContact O-N 3.07Å; H153-I157 VanDerWaalsContact O-N 3.08Å; I157-L168 HydrophobicContact CG2-CD2 4.13Å; I157-L170 HydrophobicContact CB-CD1 4.47Å; I157-L170 HydrophobicContact CB-CD2 4.22Å; I157-L170 WeakPolarHBondContact O-CD2 3.22Å; I157-I195 HydrophobicContact CG2-CD1 4.16Å
158	G	88.5	Confident	88.9	Confident	29 Å²	29	48.4 Å²	48.4	30%	0.299	26%	0.259	S	S	.	.			trans	78.5	155.7	-175.1	0	0	0	0	0	114	E154 C160 H161	E154-G158 CarbonylContact O-C 3.6Å; E154-G158 WeakPolarHBondContact O-CA 3.48Å; E154-G158 PolarHBondContact O-N 3.09Å; G158-C160 PolarHBondContact O-N 2.91Å; G158-C160 VanDerWaalsContact O-N 3.16Å; G158-H161 PolarHBondContact O-ND1 3.49Å
159	K	85.7	Confident	89	Confident	160 Å²	160	46.8 Å²	46.8	70%	0.696	24%	0.241	S	C	*	.	S	Bend	trans	-54.9	-28.4	171.8	-76.6	171.3	179	173.9	0	114	E154	E154-K159 HydrophobicContact CG-CG 3.94Å; E154-K159 WeakPolarHBondContact OE1-CE 3.49Å; E154-K159 WeakPolarHBondContact OE1-CG 3.44Å; E154-K159 IonicContact OE1-NZ 2.76Å
160	C	87.9	Confident	89.1	Confident	15 Å²	15	46.8 Å²	46.8	10%	0.101	24%	0.241	C	C	.	.			trans	-99.3	95.7	-176.9	-170.5	0	0	0	0	110.7	G158 P171 D440 W441	G158-C160 PolarHBondContact O-N 2.91Å; G158-C160 VanDerWaalsContact O-N 3.16Å; C160-P171 HydrophobicContact CB-CG 4.14Å; C160-P171 WeakPolarHBondContact O-CD 3.18Å; C160-D440 HydrophobicContact CB-CB 3.74Å; C160-D440 VanDerWaalsContact SG-C 3.53Å; C160-D440 VanDerWaalsContact SG-CB 3.55Å; C160-W441 VanDerWaalsContact SG-CD1 3.59Å; C160-W441 PolarHBondContact SG-NE1 2.87Å; C160-W441 VanDerWaalsContact SG-NE1 3.44Å
161	H	89.8	Confident	89	Confident	19 Å²	19	47.2 Å²	47.2	9%	0.088	24%	0.244	C	C	.	.			trans	-149.5	162	179.3	60.6	-102.4	0	0	0	111.5	F151 G158 L168 L170 W441	F151-H161 AromaticContact CD1-CE1 3.94Å; F151-H161 AromaticContact CD1-NE2 3.52Å; F151-H161 AromaticContact CE1-CD2 3.65Å; F151-H161 AromaticContact CE1-NE2 3.15Å; F151-H161 WeakPolarHBondContact CE1-NE2 3.15Å; F151-H161 AromaticContact CZ-NE2 3.44Å; F151-H161 WeakPolarHBondContact CZ-NE2 3.07Å; G158-H161 PolarHBondContact O-ND1 3.49Å; H161-L168 HydrophobicContact CB-CD1 3.94Å; H161-L170 HydrophobicContact CB-CD2 3.48Å; H161-L170 VanDerWaalsContact CB-CD2 3.48Å; H161-W441 VanDerWaalsContact C-CZ2 3.49Å
162	A	87.7	Confident	88.8	Confident	17 Å²	17	50.9 Å²	50.9	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.1	170.6	0	0	0	0	0	110.3	L168 F169 F211 W441	A162-L168 WeakPolarHBondContact O-CA 3.34Å; A162-F169 HydrophobicContact CB-CB 4.41Å; A162-F169 PolarHBondContact N-O 2.86Å; A162-F169 PolarHBondContact O-N 2.68Å; A162-F211 HydrophobicContact CB-CE2 4.04Å; A162-W441 HydrophobicContact CB-CH2 4.1Å; A162-W441 HydrophobicContact CB-CZ2 4Å
163	F	86.7	Confident	88.8	Confident	19 Å²	19	52.8 Å²	52.8	8%	0.083	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131	-174.7	-176.9	-129.9	0	0	0	112.5	I134 Y136 R143 R146 S147 L150 F151 G165 I167 L168	I134-F163 HydrophobicContact CB-CE2 3.93Å; I134-F163 HydrophobicContact CB-CZ 4.29Å; I134-F163 HydrophobicContact CG1-CD2 4.24Å; I134-F163 HydrophobicContact CG1-CE2 3.6Å; I134-F163 HydrophobicContact CG1-CZ 4.36Å; I134-F163 HydrophobicContact CG2-CE2 4.49Å; I134-F163 HydrophobicContact CG2-CZ 4.45Å; Y136-F163 HydrophobicContact CE2-CZ 4.37Å; Y136-F163 VanDerWaalsContact OH-CZ 3.24Å; Y136-F163 WeakPolarHBondContact OH-CZ 3.23Å; R143-F163 PolarHBondContact NH2-O 2.87Å; R146-F163 HydrophobicContact CB-CE1 4.29Å; S147-F163 WeakPolarHBondContact OG-CD1 2.79Å; L150-F163 HydrophobicContact CD2-CB 4.48Å; L150-F163 HydrophobicContact CD2-CD1 3.7Å; L150-F163 HydrophobicContact CD2-CD2 3.77Å; L150-F163 HydrophobicContact CD2-CE1 3.73Å; L150-F163 HydrophobicContact CD2-CE2 3.83Å; L150-F163 HydrophobicContact CD2-CG 3.73Å; L150-F163 HydrophobicContact CD2-CZ 3.8Å; F151-F163 HydrophobicContact CE1-CB 4.04Å; F151-F163 HydrophobicContact CE1-CD1 4.07Å; F151-F163 HydrophobicContact CE1-CG 4.42Å; F151-F163 HydrophobicContact CZ-CB 4.19Å; F151-F163 HydrophobicContact CZ-CD1 4.24Å; F163-G165 VanDerWaalsContact CE2-C 3.41Å; F163-G165 VanDerWaalsContact CZ-O 3.28Å; F163-G165 WeakPolarHBondContact CZ-O 3.29Å; F163-I167 WeakPolarHBondContact CA-O 3.43Å; F163-I167 VanDerWaalsContact CD2-O 3.27Å; F163-I167 WeakPolarHBondContact CD2-O 2.96Å; F163-L168 HydrophobicContact CB-CD1 3.96Å; F163-L168 HydrophobicContact CD2-CB 4.01Å; F163-L168 HydrophobicContact CD2-CD1 4.34Å; F163-L168 HydrophobicContact CG-CD1 4.45Å
164	D	79.7	Confident	88.8	Confident	64 Å²	64	52 Å²	52	34%	0.342	26%	0.259	S	S	.	.			trans	-100	-3.4	-179.8	90.2	-13.1	0	0	0	115.3	R143 T166 I167	R143-D164 VanDerWaalsContact CD-O 3.31Å; R143-D164 WeakPolarHBondContact CD-O 3.45Å; R143-D164 VanDerWaalsContact CZ-C 3.45Å; R143-D164 PolarHBondContact NE-O 3.19Å; R143-D164 VanDerWaalsContact NE-O 3.15Å; R143-D164 PolarHBondContact NH1-O 3.47Å; D164-T166 PolarHBondContact OD1-N 2.76Å; D164-T166 PolarHBondContact OD1-OG1 3.44Å; D164-I167 PolarHBondContact N-O 3.06Å; D164-I167 PolarHBondContact OD1-N 3.05Å
165	G	78.5	Confident	88.7	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.01	29%	0.286	C	S	.	.	S	Bend	trans	107.5	-20.4	-171.5	0	0	0	0	0	113.2	R146 F163	R146-G165 WeakPolarHBondContact CD-O 3.3Å; R146-G165 PolarHBondContact NH1-O 3.36Å; F163-G165 VanDerWaalsContact CE2-C 3.41Å; F163-G165 VanDerWaalsContact CZ-O 3.28Å; F163-G165 WeakPolarHBondContact CZ-O 3.29Å
166	T	85.8	Confident	88.8	Confident	56 Å²	56	55.3 Å²	55.3	34%	0.344	27%	0.27	S	S	.	.	S	Bend	trans	-138.1	-30.2	-178	29.4	0	0	0	0	113.3	H133 I134 D164	H133-T166 PolarHBondContact ND1-O 3.17Å; I134-T166 PolarHBondContact N-O 3.21Å; D164-T166 PolarHBondContact OD1-N 2.76Å; D164-T166 PolarHBondContact OD1-OG1 3.44Å
167	I	90.5	Very high	88.8	Confident	46 Å²	46	59.2 Å²	59.2	24%	0.236	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127	-179.5	-58.7	175.9	0	0	0	108.4	Q131 Y132 F163 D164 F169	Q131-I167 HydrophobicContact CG-CG2 3.57Å; Y132-I167 WeakPolarHBondContact O-CA 3.24Å; F163-I167 WeakPolarHBondContact CA-O 3.43Å; F163-I167 VanDerWaalsContact CD2-O 3.27Å; F163-I167 WeakPolarHBondContact CD2-O 2.96Å; D164-I167 PolarHBondContact N-O 3.06Å; D164-I167 PolarHBondContact OD1-N 3.05Å; I167-F169 HydrophobicContact CG2-CD2 4.25Å; I167-F169 HydrophobicContact CG2-CE1 4.24Å; I167-F169 HydrophobicContact CG2-CE2 3.7Å; I167-F169 HydrophobicContact CG2-CZ 3.7Å
168	L	91.3	Very high	88.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130	174.6	177.3	69.1	0	0	0	108.8	Y132 I134 L150 I157 H161 A162 F163 L170	Y132-L168 PolarHBondContact N-O 3.35Å; Y132-L168 PolarHBondContact O-N 3.2Å; I134-L168 HydrophobicContact CD1-CB 3.71Å; I134-L168 HydrophobicContact CD1-CD2 3.79Å; I134-L168 HydrophobicContact CD1-CG 4.41Å; I134-L168 HydrophobicContact CG1-CB 3.75Å; L150-L168 HydrophobicContact CD2-CD1 4.21Å; L150-L168 HydrophobicContact CD2-CD2 4.39Å; I157-L168 HydrophobicContact CG2-CD2 4.13Å; H161-L168 HydrophobicContact CB-CD1 3.94Å; A162-L168 WeakPolarHBondContact O-CA 3.34Å; F163-L168 HydrophobicContact CB-CD1 3.96Å; F163-L168 HydrophobicContact CD2-CB 4.01Å; F163-L168 HydrophobicContact CD2-CD1 4.34Å; F163-L168 HydrophobicContact CG-CD1 4.45Å; L168-L170 HydrophobicContact CD1-CD2 3.96Å; L168-L170 HydrophobicContact CD2-CD1 4.2Å; L168-L170 HydrophobicContact CD2-CD2 4Å; L168-L170 HydrophobicContact CD2-CG 4.12Å; L168-L170 HydrophobicContact CG-CD2 3.86Å; L168-L170 HydrophobicContact CG-CG 4.07Å
169	F	92.5	Very high	89.2	Confident	25 Å²	25	61.4 Å²	61.4	11%	0.11	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.9	169.6	-62.8	-79.9	0	0	0	109.7	L129 Y130 Q131 A162 I167 L201 T207 F211 W441	L129-F169 HydrophobicContact CD1-CB 4.08Å; L129-F169 HydrophobicContact CD2-CB 4.44Å; L129-F169 HydrophobicContact CD2-CD1 3.64Å; L129-F169 HydrophobicContact CD2-CE1 4.17Å; L129-F169 HydrophobicContact CD2-CG 4.23Å; L129-F169 HydrophobicContact CG-CB 4.29Å; L129-F169 HydrophobicContact CG-CD1 3.92Å; L129-F169 HydrophobicContact CG-CG 4.49Å; Y130-F169 WeakPolarHBondContact O-CA 3.28Å; Q131-F169 HydrophobicContact CB-CD1 3.97Å; Q131-F169 HydrophobicContact CB-CE1 3.8Å; Q131-F169 HydrophobicContact CG-CD1 4.08Å; Q131-F169 HydrophobicContact CG-CE1 3.57Å; Q131-F169 HydrophobicContact CG-CZ 4.16Å; A162-F169 HydrophobicContact CB-CB 4.41Å; A162-F169 PolarHBondContact N-O 2.86Å; A162-F169 PolarHBondContact O-N 2.68Å; I167-F169 HydrophobicContact CG2-CD2 4.25Å; I167-F169 HydrophobicContact CG2-CE1 4.24Å; I167-F169 HydrophobicContact CG2-CE2 3.7Å; I167-F169 HydrophobicContact CG2-CZ 3.7Å; F169-L201 HydrophobicContact CD1-CD1 4.45Å; F169-L201 HydrophobicContact CE1-CD1 3.91Å; F169-T207 HydrophobicContact CE1-CG2 4.05Å; F169-T207 HydrophobicContact CZ-CG2 4Å; F169-F211 HydrophobicContact CB-CD2 4.18Å; F169-F211 HydrophobicContact CB-CE2 4.18Å; F169-F211 HydrophobicContact CD2-CD2 4.35Å; F169-F211 HydrophobicContact CG-CD2 4.22Å; F169-W441 WeakPolarHBondContact O-CH2 3.34Å
170	L	92.6	Very high	89.6	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.3	177.7	-57.2	-176.9	0	0	0	111.4	Y130 Y132 I157 H161 L168 K172 L174	Y130-L170 PolarHBondContact N-O 2.85Å; Y130-L170 VanDerWaalsContact N-O 3.07Å; Y130-L170 PolarHBondContact O-N 2.75Å; Y132-L170 HydrophobicContact CD2-CD1 4.11Å; Y132-L170 HydrophobicContact CD2-CG 4.1Å; Y132-L170 HydrophobicContact CE2-CB 3.98Å; Y132-L170 HydrophobicContact CE2-CD1 3.62Å; Y132-L170 HydrophobicContact CE2-CG 3.79Å; I157-L170 HydrophobicContact CB-CD1 4.47Å; I157-L170 HydrophobicContact CB-CD2 4.22Å; I157-L170 WeakPolarHBondContact O-CD2 3.22Å; H161-L170 HydrophobicContact CB-CD2 3.48Å; H161-L170 VanDerWaalsContact CB-CD2 3.48Å; L168-L170 HydrophobicContact CD1-CD2 3.96Å; L168-L170 HydrophobicContact CD2-CD1 4.2Å; L168-L170 HydrophobicContact CD2-CD2 4Å; L168-L170 HydrophobicContact CD2-CG 4.12Å; L168-L170 HydrophobicContact CG-CD2 3.86Å; L168-L170 HydrophobicContact CG-CG 4.07Å; L170-K172 WeakPolarHBondContact CB-O 3.2Å; L170-K172 PolarHBondContact O-N 3.1Å; L170-L174 HydrophobicContact CD1-CD1 4.28Å; L170-L174 HydrophobicContact CD1-CD2 3.9Å; L170-L174 HydrophobicContact CD1-CG 3.95Å
171	P	89.6	Confident	89.9	Confident	8 Å²	8	58.4 Å²	58.4	5%	0.052	28%	0.28	C	S	.	.	S	Bend	trans	-80.4	-1.8	172	34.2	-35.6	0	0	0	113	R124 C160 W441	R124-P171 PolarHBondContact NH2-O 2.98Å; C160-P171 HydrophobicContact CB-CG 4.14Å; C160-P171 WeakPolarHBondContact O-CD 3.18Å; P171-W441 HydrophobicContact CB-CE3 3.72Å; P171-W441 HydrophobicContact CB-CZ3 4.04Å; P171-W441 HydrophobicContact CG-CE3 4.1Å; P171-W441 HydrophobicContact CG-CZ3 4.19Å
172	K	89.2	Confident	90.2	Very high	154 Å²	154	63 Å²	63	67%	0.67	30%	0.299	S	S	*	.	S	Bend	trans	-133.1	149.5	179.5	-65.5	-176.7	-178.1	179.9	0	109.5	Y130 L170	Y130-K172 WeakPolarHBondContact CD2-O 3.39Å; L170-K172 WeakPolarHBondContact CB-O 3.2Å; L170-K172 PolarHBondContact O-N 3.1Å
173	R	92	Very high	90.4	Very high	138 Å²	138	62.2 Å²	62.2	52%	0.521	29%	0.293	S	S	.	.			trans	-79.7	133.5	173.7	-156.2	177.2	-171.4	-117.8	11.6	109.1	Y130 Y132 E200	Y130-R173 HydrophobicContact CD1-CB 3.93Å; Y130-R173 HydrophobicContact CD1-CG 3.72Å; Y130-R173 HydrophobicContact CD2-CB 4.36Å; Y130-R173 HydrophobicContact CE1-CB 3.64Å; Y130-R173 HydrophobicContact CE1-CG 3.57Å; Y130-R173 HydrophobicContact CE2-CB 4.1Å; Y130-R173 HydrophobicContact CG-CB 4.27Å; Y130-R173 HydrophobicContact CG-CG 4.44Å; Y132-R173 WeakPolarHBondContact OH-CA 3.4Å; R173-E200 IonicContact CZ-OE1 3.28Å; R173-E200 IonicContact NE-OE1 3.81Å; R173-E200 PolarHBondContact NE-OE1 2.87Å; R173-E200 IonicContact NE-OE2 3.54Å; R173-E200 IonicContact NH2-OE1 3.87Å; R173-E200 PolarHBondContact NH2-OE1 3.28Å
174	L	92.9	Very high	90.6	Very high	16 Å²	16	66.9 Å²	66.9	8%	0.084	31%	0.314	C	S	.	.			trans	-70.6	152.9	165.2	-60.7	-178	0	0	0	108.9	Y132 L156 L170 Q176 I195	Y132-L174 HydrophobicContact CD1-CD1 4.15Å; Y132-L174 HydrophobicContact CE1-CB 4.07Å; Y132-L174 HydrophobicContact CE1-CD1 3.74Å; Y132-L174 HydrophobicContact CE1-CG 3.85Å; Y132-L174 PolarHBondContact OH-N 2.91Å; L156-L174 HydrophobicContact CD1-CD2 4.08Å; L156-L174 HydrophobicContact CG-CD2 4.26Å; L156-L174 WeakPolarHBondContact O-CD2 3.17Å; L170-L174 HydrophobicContact CD1-CD1 4.28Å; L170-L174 HydrophobicContact CD1-CD2 3.9Å; L170-L174 HydrophobicContact CD1-CG 3.95Å; L174-Q176 VanDerWaalsContact C-N 3.3Å; L174-Q176 PolarHBondContact O-N 3.28Å; L174-I195 HydrophobicContact CD1-CG2 3.72Å
175	Q	90.2	Very high	90.7	Very high	197 Å²	197	64.6 Å²	64.6	92%	0.921	30%	0.302	S	S	*	.	S	Bend	trans	-64.6	-36.7	-175.8	-66.5	-179	-4.9	0	0	112.4
176	Q	90.8	Very high	90.8	Very high	117 Å²	117	76.7 Å²	76.7	55%	0.547	35%	0.347	S	S	.	.	S	Bend	trans	-105.1	150.9	-178.2	-61.5	164.2	-21	0	0	110.6	L174 V178 T179	L174-Q176 VanDerWaalsContact C-N 3.3Å; L174-Q176 PolarHBondContact O-N 3.28Å; Q176-V178 VanDerWaalsContact C-N 3.33Å; Q176-V178 VanDerWaalsContact CB-O 3.31Å; Q176-V178 WeakPolarHBondContact CB-O 3.47Å; Q176-V178 PolarHBondContact OE1-O 3.12Å; Q176-T179 PolarHBondContact OE1-OG1 3.42Å
177	K	90.7	Very high	90.4	Very high	151 Å²	151	80.6 Å²	80.6	66%	0.657	37%	0.366	S	S	*	.	S	Bend	trans	-69.4	-33.2	174.2	-175.1	-179.9	177.8	-177.8	0	112.1	L197	K177-L197 HydrophobicContact CG-CB 4.2Å; K177-L197 PolarHBondContact O-N 3.13Å
178	V	94.4	Very high	89.9	Confident	70 Å²	70	80.6 Å²	80.6	42%	0.424	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128	172.8	-177.7	0	0	0	0	106.6	Q176 T194 I195 T196	Q176-V178 VanDerWaalsContact C-N 3.33Å; Q176-V178 VanDerWaalsContact CB-O 3.31Å; Q176-V178 WeakPolarHBondContact CB-O 3.47Å; Q176-V178 PolarHBondContact OE1-O 3.12Å; V178-T194 HydrophobicContact CG1-CG2 3.65Å; V178-I195 CarbonylContact C-O 3.32Å; V178-I195 WeakPolarHBondContact CA-O 3.31Å; V178-T196 HydrophobicContact CG2-CG2 4.18Å
179	T	94.4	Very high	89.6	Confident	13 Å²	13	85.6 Å²	85.6	8%	0.08	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.4	175.2	-58.6	0	0	0	0	108.5	L156 Q176 V181 I195	L156-T179 HydrophobicContact CD1-CG2 4.41Å; L156-T179 HydrophobicContact CD2-CG2 3.74Å; Q176-T179 PolarHBondContact OE1-OG1 3.42Å; T179-V181 HydrophobicContact CG2-CG1 4.33Å; T179-I195 PolarHBondContact N-O 3.36Å; T179-I195 WeakPolarHBondContact O-CB 3.23Å; T179-I195 PolarHBondContact O-N 3.07Å
180	E	94.7	Very high	89.4	Confident	93 Å²	93	89 Å²	89	44%	0.435	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.4	173.6	-58.1	-154.8	136.4	0	0	110	R192 I193 T194	E180-R192 IonicContact OE1-NH1 3.96Å; E180-R192 IonicContact OE2-NH1 3.39Å; E180-R192 PolarHBondContact OE2-NH1 2.91Å; E180-I193 WeakPolarHBondContact CA-O 3.35Å; E180-T194 HydrophobicContact CG-CG2 4.31Å; E180-T194 PolarHBondContact OE1-OG1 2.91Å; E180-T194 VanDerWaalsContact OE1-OG1 3.13Å
181	V	94.7	Very high	89.3	Confident	19 Å²	19	88.8 Å²	88.8	12%	0.115	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	156.6	174	-62.9	0	0	0	0	110.1	H153 L156 T179 I193 I195	H153-V181 WeakPolarHBondContact CD2-CG2 3.37Å; L156-V181 HydrophobicContact CD2-CG1 3.53Å; T179-V181 HydrophobicContact CG2-CG1 4.33Å; V181-I193 HydrophobicContact CG2-CB 3.83Å; V181-I193 HydrophobicContact CG2-CG2 4.44Å; V181-I193 PolarHBondContact N-O 2.8Å; V181-I193 PolarHBondContact O-N 2.97Å; V181-I195 HydrophobicContact CG2-CD1 4.28Å
182	F	94.9	Very high	89.5	Confident	115 Å²	115	93.2 Å²	93.2	50%	0.504	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.2	-178	-66.3	-95.6	0	0	0	109.6	H153 V191 R192	H153-F182 PolarHBondContact CE1-O 3.46Å; H153-F182 PolarHBondContact NE2-O 3.28Å; F182-V191 WeakPolarHBondContact CA-O 3.14Å; F182-R192 HydrophobicContact CD1-CB 4.08Å; F182-R192 HydrophobicContact CD1-CG 4.29Å; F182-R192 HydrophobicContact CE1-CB 3.79Å; F182-R192 HydrophobicContact CE1-CG 3.76Å; F182-R192 HydrophobicContact CZ-CB 4.43Å; F182-R192 HydrophobicContact CZ-CG 3.88Å
183	S	92.9	Very high	89.8	Confident	1 Å²	1	85.9 Å²	85.9	1%	0.007	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153.3	174.6	-55.7	0	0	0	0	110.2	L149 Q152 H153 V191 I193	L149-S183 PolarHBondContact O-OG 3.12Å; L149-S183 VanDerWaalsContact O-OG 3.1Å; Q152-S183 VanDerWaalsContact OE1-CB 3.32Å; H153-S183 PolarHBondContact CD2-OG 2.91Å; H153-S183 PolarHBondContact NE2-OG 3.44Å; S183-V191 PolarHBondContact N-O 3.09Å; S183-V191 PolarHBondContact O-N 3.2Å; S183-I193 WeakPolarHBondContact OG-CD1 3.16Å
184	K	89.4	Confident	90	Very high	118 Å²	118	80.7 Å²	80.7	51%	0.513	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.6	169.2	-76.6	-173.1	171.2	-174.5	0	112.1	L149 Q152 E189 D190	L149-K184 WeakPolarHBondContact CD2-O 3.35Å; Q152-K184 PolarHBondContact NE2-O 3.21Å; K184-E189 WeakPolarHBondContact CA-O 3.04Å; K184-D190 WeakPolarHBondContact CE-OD1 3.49Å; K184-D190 WeakPolarHBondContact CG-OD1 3.39Å; K184-D190 IonicContact NZ-OD1 3.62Å; K184-D190 IonicContact NZ-OD2 3.77Å
185	T	83.4	Confident	90.1	Very high	15 Å²	15	79.9 Å²	79.9	9%	0.092	38%	0.382	C	S	.	.			trans	-72.8	166.2	169.5	76.5	0	0	0	0	110.5	L149 N187 G188 E189 V191	L149-T185 HydrophobicContact CD2-CG2 4.31Å; T185-N187 PolarHBondContact O-N 3.26Å; T185-N187 VanDerWaalsContact O-N 3.12Å; T185-N187 PolarHBondContact OG1-N 3.38Å; T185-G188 PolarHBondContact O-N 2.83Å; T185-E189 HydrophobicContact CG2-CB 4.04Å; T185-E189 PolarHBondContact N-O 3.07Å; T185-E189 WeakPolarHBondContact OG1-CB 3.06Å; T185-E189 PolarHBondContact OG1-N 3.07Å; T185-E189 PolarHBondContact OG1-OE2 2.89Å; T185-V191 HydrophobicContact CG2-CG2 3.62Å
186	R	79.4	Confident	90.4	Very high	255 Å²	255	72.3 Å²	72.3	96%	0.962	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.2	172.7	-72.9	-174.6	175.1	-171	-3.9	113.4
187	N	77.5	Confident	90.6	Very high	139 Å²	139	67.5 Å²	67.5	74%	0.743	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.9	179.4	-58.2	0.6	0	0	0	111.9	T185	T185-N187 PolarHBondContact O-N 3.26Å; T185-N187 VanDerWaalsContact O-N 3.12Å; T185-N187 PolarHBondContact OG1-N 3.38Å
188	G	80.3	Confident	90.8	Very high	45 Å²	45	63.3 Å²	63.3	46%	0.464	31%	0.314	S	S	.	.			trans	87.7	1.2	178.7	0	0	0	0	0	115.5	T185	T185-G188 PolarHBondContact O-N 2.83Å
189	E	84.8	Confident	90.6	Very high	106 Å²	106	63.7 Å²	63.7	50%	0.495	31%	0.314	S	S	.	.			trans	-71.2	133.6	179.1	-56.9	162.7	145.2	0	0	111	K184 T185	K184-E189 WeakPolarHBondContact CA-O 3.04Å; T185-E189 HydrophobicContact CG2-CB 4.04Å; T185-E189 PolarHBondContact N-O 3.07Å; T185-E189 WeakPolarHBondContact OG1-CB 3.06Å; T185-E189 PolarHBondContact OG1-N 3.07Å; T185-E189 PolarHBondContact OG1-OE2 2.89Å
190	D	88.6	Confident	90.5	Very high	95 Å²	95	67.5 Å²	67.5	51%	0.508	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.9	172.5	-76.3	-57.4	0	0	0	110.9	K184	K184-D190 WeakPolarHBondContact CE-OD1 3.49Å; K184-D190 WeakPolarHBondContact CG-OD1 3.39Å; K184-D190 IonicContact NZ-OD1 3.62Å; K184-D190 IonicContact NZ-OD2 3.77Å
191	V	90.1	Very high	90.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	177.2	-176.6	0	0	0	0	108.9	Y136 M140 L149 F182 S183 T185 I193	Y136-V191 HydrophobicContact CD1-CG1 4.19Å; M140-V191 HydrophobicContact CE-CG2 4.13Å; M140-V191 HydrophobicContact CG-CG1 4.27Å; L149-V191 HydrophobicContact CD1-CB 4.41Å; L149-V191 HydrophobicContact CD1-CG1 4.28Å; L149-V191 HydrophobicContact CD1-CG2 4.24Å; F182-V191 WeakPolarHBondContact CA-O 3.14Å; S183-V191 PolarHBondContact N-O 3.09Å; S183-V191 PolarHBondContact O-N 3.2Å; T185-V191 HydrophobicContact CG2-CG2 3.62Å; V191-I193 HydrophobicContact CG1-CG1 4.43Å
192	R	94.4	Very high	89.9	Confident	101 Å²	101	66 Å²	66	38%	0.381	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129	169.6	-168.9	-172.8	-54.1	-165.8	5.2	109.1	Y136 N137 E180 F182	Y136-R192 WeakPolarHBondContact CA-O 3.31Å; N137-R192 HydrophobicContact CB-CB 4.49Å; N137-R192 PolarHBondContact N-O 2.99Å; N137-R192 PolarHBondContact O-N 2.91Å; E180-R192 IonicContact OE1-NH1 3.96Å; E180-R192 IonicContact OE2-NH1 3.39Å; E180-R192 PolarHBondContact OE2-NH1 2.91Å; F182-R192 HydrophobicContact CD1-CB 4.08Å; F182-R192 HydrophobicContact CD1-CG 4.29Å; F182-R192 HydrophobicContact CE1-CB 3.79Å; F182-R192 HydrophobicContact CE1-CG 3.76Å; F182-R192 HydrophobicContact CZ-CB 4.43Å; F182-R192 HydrophobicContact CZ-CG 3.88Å
193	I	95.6	Very high	89.4	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.6	173.6	-51.8	-179	0	0	0	108	I134 D135 Y136 L149 L150 E180 V181 S183 V191 I195	I134-I193 HydrophobicContact CG2-CG2 3.44Å; I134-I193 VanDerWaalsContact CG2-CG2 3.44Å; D135-I193 WeakPolarHBondContact O-CA 3.47Å; Y136-I193 HydrophobicContact CD1-CD1 4.08Å; Y136-I193 HydrophobicContact CD1-CG1 3.81Å; Y136-I193 HydrophobicContact CE1-CD1 3.65Å; Y136-I193 HydrophobicContact CE1-CG1 3.87Å; Y136-I193 HydrophobicContact CE1-CG2 4.23Å; L149-I193 HydrophobicContact CB-CD1 4Å; L150-I193 HydrophobicContact CB-CD1 4.5Å; L150-I193 HydrophobicContact CD1-CG2 4.27Å; E180-I193 WeakPolarHBondContact CA-O 3.35Å; V181-I193 HydrophobicContact CG2-CB 3.83Å; V181-I193 HydrophobicContact CG2-CG2 4.44Å; V181-I193 PolarHBondContact N-O 2.8Å; V181-I193 PolarHBondContact O-N 2.97Å; S183-I193 WeakPolarHBondContact OG-CD1 3.16Å; V191-I193 HydrophobicContact CG1-CG1 4.43Å; I193-I195 HydrophobicContact CG2-CG1 4.23Å
194	T	95.5	Very high	88.9	Confident	28 Å²	28	66 Å²	66	17%	0.172	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	117.3	178.1	-54.8	0	0	0	0	109	D135 V178 E180	D135-T194 PolarHBondContact N-O 3.49Å; D135-T194 PolarHBondContact O-N 2.86Å; V178-T194 HydrophobicContact CG1-CG2 3.65Å; E180-T194 HydrophobicContact CG-CG2 4.31Å; E180-T194 PolarHBondContact OE1-OG1 2.91Å; E180-T194 VanDerWaalsContact OE1-OG1 3.13Å
195	I	96.1	Very high	88.6	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	105.6	-176.8	-54.5	-178.6	0	0	0	108.4	Y132 I134 L150 L156 I157 L174 V178 T179 V181 I193	Y132-I195 HydrophobicContact CD1-CG2 3.79Å; Y132-I195 HydrophobicContact CG-CG2 4.03Å; I134-I195 HydrophobicContact CD1-CB 4.06Å; I134-I195 HydrophobicContact CD1-CG1 3.85Å; I134-I195 HydrophobicContact CD1-CG2 3.69Å; L150-I195 HydrophobicContact CD1-CD1 3.89Å; L150-I195 HydrophobicContact CD1-CG1 4.43Å; L156-I195 HydrophobicContact CD2-CD1 4.19Å; I157-I195 HydrophobicContact CG2-CD1 4.16Å; L174-I195 HydrophobicContact CD1-CG2 3.72Å; V178-I195 CarbonylContact C-O 3.32Å; V178-I195 WeakPolarHBondContact CA-O 3.31Å; T179-I195 PolarHBondContact N-O 3.36Å; T179-I195 WeakPolarHBondContact O-CB 3.23Å; T179-I195 PolarHBondContact O-N 3.07Å; V181-I195 HydrophobicContact CG2-CD1 4.28Å; I193-I195 HydrophobicContact CG2-CG1 4.23Å
196	T	95.9	Very high	88.4	Confident	38 Å²	38	63.3 Å²	63.3	23%	0.233	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	118.7	-173.9	-63.1	0	0	0	0	111.5	Y132 H133 V178 T198	Y132-T196 CarbonylContact C-O 3.59Å; Y132-T196 WeakPolarHBondContact CA-O 3.49Å; H133-T196 PolarHBondContact N-O 3.35Å; H133-T196 PolarHBondContact O-N 3.34Å; V178-T196 HydrophobicContact CG2-CG2 4.18Å; T196-T198 PolarHBondContact O-N 2.81Å
197	L	95.6	Very high	88.4	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	118.2	172.7	179.7	66.7	0	0	0	109.8	Y130 Y132 K177 E200	Y130-L197 HydrophobicContact CD1-CD1 4.35Å; Y132-L197 VanDerWaalsContact CD1-CA 3.49Å; Y132-L197 HydrophobicContact CD1-CB 3.81Å; Y132-L197 HydrophobicContact CD1-CD1 4.13Å; Y132-L197 HydrophobicContact CE1-CB 3.68Å; Y132-L197 HydrophobicContact CE1-CD1 3.7Å; Y132-L197 HydrophobicContact CE1-CG 4.23Å; Y132-L197 HydrophobicContact CE2-CD1 4.23Å; K177-L197 HydrophobicContact CG-CB 4.2Å; K177-L197 PolarHBondContact O-N 3.13Å; L197-E200 HydrophobicContact CD1-CG 4.47Å; L197-E200 HydrophobicContact CD2-CG 4.3Å
198	T	93.1	Very high	88.8	Confident	64 Å²	64	47 Å²	47	39%	0.393	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-46.3	-178.7	53.6	0	0	0	0	112.7	Q131 H133 T196	Q131-T198 PolarHBondContact O-N 3.29Å; Q131-T198 PolarHBondContact O-OG1 3.2Å; H133-T198 HydrophobicContact CB-CG2 3.81Å; T196-T198 PolarHBondContact O-N 2.81Å
199	N	91.9	Very high	88.9	Confident	77 Å²	77	45.3 Å²	45.3	41%	0.412	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.1	-179	-60.4	-64.2	0	0	0	111.7	Q131 L201	Q131-N199 HydrophobicContact CB-CB 4.19Å; Q131-N199 PolarHBondContact N-O 2.96Å; Q131-N199 PolarHBondContact O-N 3.37Å; Q131-N199 PolarHBondContact OE1-ND2 3.12Å; N199-L201 HydrophobicContact CB-CD2 3.71Å; N199-L201 HydrophobicContact CB-CG 4.06Å
200	E	92.3	Very high	88.8	Confident	94 Å²	94	43.6 Å²	43.6	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.2	163.2	-55.1	-168.3	-171.2	0	0	107.1	Y130 R173 L197	Y130-E200 HydrophobicContact CD1-CB 4.42Å; Y130-E200 HydrophobicContact CD1-CG 3.92Å; Y130-E200 HydrophobicContact CE1-CB 4.41Å; Y130-E200 HydrophobicContact CE1-CG 4.03Å; R173-E200 IonicContact CZ-OE1 3.28Å; R173-E200 IonicContact NE-OE1 3.81Å; R173-E200 PolarHBondContact NE-OE1 2.87Å; R173-E200 IonicContact NE-OE2 3.54Å; R173-E200 IonicContact NH2-OE1 3.87Å; R173-E200 PolarHBondContact NH2-OE1 3.28Å; L197-E200 HydrophobicContact CD1-CG 4.47Å; L197-E200 HydrophobicContact CD2-CG 4.3Å
201	L	89.5	Confident	88.6	Confident	12 Å²	12	39.2 Å²	39.2	6%	0.063	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.9	-169	-57.2	169.6	0	0	0	110.5	L129 Q131 F169 N199 T207	L129-L201 HydrophobicContact CB-CB 4.21Å; L129-L201 HydrophobicContact CD2-CD1 4.23Å; L129-L201 PolarHBondContact N-O 3.32Å; L129-L201 WeakPolarHBondContact O-CB 3.4Å; L129-L201 PolarHBondContact O-N 3.1Å; Q131-L201 HydrophobicContact CB-CD1 4.12Å; F169-L201 HydrophobicContact CD1-CD1 4.45Å; F169-L201 HydrophobicContact CE1-CD1 3.91Å; N199-L201 HydrophobicContact CB-CD2 3.71Å; N199-L201 HydrophobicContact CB-CG 4.06Å; L201-T207 HydrophobicContact CD1-CG2 3.74Å
202	P	87.3	Confident	88.6	Confident	68 Å²	68	39.4 Å²	39.4	44%	0.442	22%	0.217	S	C	.	.			trans	-68.6	160.5	171.4	29	-35.3	0	0	0	111.2	T204 S205	P202-T204 PolarHBondContact O-N 3Å; P202-T204 VanDerWaalsContact O-N 3.12Å; P202-S205 WeakPolarHBondContact O-CB 3.31Å; P202-S205 PolarHBondContact O-N 2.95Å
203	P	83.5	Confident	88.2	Confident	32 Å²	32	35.2 Å²	35.2	21%	0.208	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-39.2	-178.4	-25.3	30.2	0	0	0	114.2	W127 S205 Y212 I263	W127-P203 HydrophobicContact CE3-CB 4.41Å; W127-P203 HydrophobicContact CE3-CG 3.93Å; W127-P203 HydrophobicContact CZ3-CG 4.48Å; W127-P203 WeakPolarHBondContact O-CD 3.31Å; P203-S205 VanDerWaalsContact C-N 3.26Å; P203-S205 PolarHBondContact O-N 2.82Å; P203-Y212 WeakPolarHBondContact CA-OH 3.35Å; P203-Y212 WeakPolarHBondContact O-CE2 3Å; P203-I263 HydrophobicContact CB-CD1 3.83Å; P203-I263 WeakPolarHBondContact O-CD1 3.44Å
204	T	82.4	Confident	87.7	Confident	85 Å²	85	39.7 Å²	39.7	52%	0.521	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.7	-177.1	57.2	0	0	0	0	113.8	P202	P202-T204 PolarHBondContact O-N 3Å; P202-T204 VanDerWaalsContact O-N 3.12Å
205	S	83.6	Confident	87.3	Confident	18 Å²	18	38.6 Å²	38.6	13%	0.126	22%	0.218	C	C	.	.			trans	-61.4	136.8	-179.5	176.1	0	0	0	0	111.6	P202 P203 T207 C208 L209	P202-S205 WeakPolarHBondContact O-CB 3.31Å; P202-S205 PolarHBondContact O-N 2.95Å; P203-S205 VanDerWaalsContact C-N 3.26Å; P203-S205 PolarHBondContact O-N 2.82Å; S205-T207 PolarHBondContact O-N 3.16Å; S205-C208 CarbonylContact O-C 3.57Å; S205-C208 WeakPolarHBondContact O-CA 3.39Å; S205-C208 VanDerWaalsContact O-CB 3.23Å; S205-C208 WeakPolarHBondContact O-CB 3.38Å; S205-C208 PolarHBondContact O-N 2.95Å; S205-L209 PolarHBondContact O-N 3.49Å
206	P	79.3	Confident	87.1	Confident	58 Å²	58	38.8 Å²	38.8	38%	0.377	22%	0.219	S	C	.	.	H	α-helix	trans	-54.3	-36.5	176.7	-30.3	37	0	0	0	115	L89 C208 L209 Q210	L89-P206 HydrophobicContact CD1-CB 3.51Å; L89-P206 HydrophobicContact CD1-CG 4.35Å; L89-P206 HydrophobicContact CD2-CB 3.65Å; L89-P206 HydrophobicContact CD2-CG 3.96Å; L89-P206 HydrophobicContact CG-CB 4.19Å; P206-C208 VanDerWaalsContact C-N 3.31Å; P206-L209 PolarHBondContact O-N 3.3Å; P206-Q210 PolarHBondContact O-N 2.95Å
207	T	79.9	Confident	86.7	Confident	51 Å²	51	40.9 Å²	40.9	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-66.7	-36.2	174.8	-53.5	0	0	0	0	111	F169 L201 S205 Q210 F211	F169-T207 HydrophobicContact CE1-CG2 4.05Å; F169-T207 HydrophobicContact CZ-CG2 4Å; L201-T207 HydrophobicContact CD1-CG2 3.74Å; S205-T207 PolarHBondContact O-N 3.16Å; T207-Q210 PolarHBondContact O-N 3.38Å; T207-F211 PolarHBondContact O-N 3.27Å
208	C	84.6	Confident	86.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.3	-37	176	-162.4	0	0	0	0	112.3	W127 S205 P206 Q210 F211 Y212	W127-C208 VanDerWaalsContact CH2-SG 3.54Å; W127-C208 WeakPolarHBondContact CZ3-SG 3.44Å; S205-C208 CarbonylContact O-C 3.57Å; S205-C208 WeakPolarHBondContact O-CA 3.39Å; S205-C208 VanDerWaalsContact O-CB 3.23Å; S205-C208 WeakPolarHBondContact O-CB 3.38Å; S205-C208 PolarHBondContact O-N 2.95Å; P206-C208 VanDerWaalsContact C-N 3.31Å; C208-Q210 VanDerWaalsContact C-N 3.35Å; C208-Q210 PolarHBondContact O-N 3.43Å; C208-F211 CarbonylContact O-C 3.56Å; C208-F211 WeakPolarHBondContact O-CA 3.45Å; C208-F211 WeakPolarHBondContact O-CB 3.28Å; C208-F211 PolarHBondContact O-N 2.9Å; C208-F211 VanDerWaalsContact O-N 3.15Å; C208-Y212 HydrophobicContact CB-CE2 4.43Å; C208-Y212 VanDerWaalsContact O-CD2 3.25Å; C208-Y212 WeakPolarHBondContact O-CD2 3.3Å; C208-Y212 PolarHBondContact O-N 2.99Å; C208-Y212 VanDerWaalsContact SG-CE2 3.51Å; C208-Y212 PolarHBondContact SG-OH 3.27Å; C208-Y212 VanDerWaalsContact SG-OH 3.39Å
209	L	82.7	Confident	86.3	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-39.9	172.6	-63.5	178.6	0	0	0	112.7	S205 P206 F211 Y212 N213 Q258 I263	S205-L209 PolarHBondContact O-N 3.49Å; P206-L209 PolarHBondContact O-N 3.3Å; L209-F211 VanDerWaalsContact C-N 3.34Å; L209-Y212 HydrophobicContact CD2-CD2 4.27Å; L209-Y212 PolarHBondContact O-N 2.98Å; L209-N213 PolarHBondContact O-N 3.47Å; L209-N213 PolarHBondContact O-ND2 3.3Å; L209-Q258 HydrophobicContact CD1-CB 3.85Å; L209-Q258 HydrophobicContact CD2-CB 4.21Å; L209-I263 HydrophobicContact CD2-CG1 4.38Å; L209-I263 HydrophobicContact CD2-CG2 4.11Å
210	Q	81.8	Confident	86.3	Confident	69 Å²	69	38.1 Å²	38.1	32%	0.322	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-42.2	173	-65.5	-178.9	25.6	0	0	111.1	P206 T207 C208 N213 I214	P206-Q210 PolarHBondContact O-N 2.95Å; T207-Q210 PolarHBondContact O-N 3.38Å; C208-Q210 VanDerWaalsContact C-N 3.35Å; C208-Q210 PolarHBondContact O-N 3.43Å; Q210-N213 PolarHBondContact O-N 3.44Å; Q210-I214 WeakPolarHBondContact O-CG1 3.49Å; Q210-I214 PolarHBondContact O-N 3.05Å; Q210-I214 VanDerWaalsContact O-N 3.08Å
211	F	86.3	Confident	86.1	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-46.2	175.3	165.6	-92.1	0	0	0	112.8	W127 L129 A162 F169 T207 C208 L209 N213 I214 I215 W441	W127-F211 HydrophobicContact CH2-CE1 4.3Å; W127-F211 HydrophobicContact CZ2-CE1 4.35Å; L129-F211 HydrophobicContact CD1-CD1 4.05Å; L129-F211 HydrophobicContact CD1-CD2 4.24Å; L129-F211 HydrophobicContact CD1-CE1 3.77Å; L129-F211 HydrophobicContact CD1-CE2 3.96Å; L129-F211 HydrophobicContact CD1-CG 4.3Å; L129-F211 HydrophobicContact CD1-CZ 3.73Å; L129-F211 HydrophobicContact CD2-CB 3.72Å; L129-F211 HydrophobicContact CD2-CD1 3.55Å; L129-F211 HydrophobicContact CD2-CD2 3.86Å; L129-F211 HydrophobicContact CD2-CE1 4.16Å; L129-F211 HydrophobicContact CD2-CE2 4.41Å; L129-F211 HydrophobicContact CD2-CG 3.4Å; L129-F211 HydrophobicContact CG-CD1 4.44Å; L129-F211 HydrophobicContact CG-CG 4.5Å; A162-F211 HydrophobicContact CB-CE2 4.04Å; F169-F211 HydrophobicContact CB-CD2 4.18Å; F169-F211 HydrophobicContact CB-CE2 4.18Å; F169-F211 HydrophobicContact CD2-CD2 4.35Å; F169-F211 HydrophobicContact CG-CD2 4.22Å; T207-F211 PolarHBondContact O-N 3.27Å; C208-F211 CarbonylContact O-C 3.56Å; C208-F211 WeakPolarHBondContact O-CA 3.45Å; C208-F211 WeakPolarHBondContact O-CB 3.28Å; C208-F211 PolarHBondContact O-N 2.9Å; C208-F211 VanDerWaalsContact O-N 3.15Å; L209-F211 VanDerWaalsContact C-N 3.34Å; F211-N213 VanDerWaalsContact C-N 3.3Å; F211-N213 PolarHBondContact O-N 3.39Å; F211-I214 WeakPolarHBondContact O-CA 3.42Å; F211-I214 WeakPolarHBondContact O-CB 3.06Å; F211-I214 PolarHBondContact O-N 2.85Å; F211-I215 HydrophobicContact CD1-CG1 4.35Å; F211-I215 HydrophobicContact CD2-CG1 4.23Å; F211-I215 HydrophobicContact CE1-CG1 3.7Å; F211-I215 HydrophobicContact CE2-CD1 3.68Å; F211-I215 HydrophobicContact CE2-CG1 3.56Å; F211-I215 HydrophobicContact CZ-CD1 3.71Å; F211-I215 HydrophobicContact CZ-CG1 3.23Å; F211-I215 PolarHBondContact O-N 3.39Å; F211-W441 HydrophobicContact CE1-CE3 4.2Å; F211-W441 HydrophobicContact CE1-CZ3 4.34Å; F211-W441 HydrophobicContact CE2-CE3 4.24Å; F211-W441 AromaticContact CE2-CH2 3.53Å; F211-W441 HydrophobicContact CE2-CH2 3.53Å; F211-W441 AromaticContact CE2-CZ2 3.9Å; F211-W441 HydrophobicContact CE2-CZ2 3.9Å; F211-W441 AromaticContact CE2-CZ3 3.72Å; F211-W441 HydrophobicContact CE2-CZ3 3.72Å; F211-W441 AromaticContact CZ-CD2 3.73Å; F211-W441 HydrophobicContact CZ-CD2 3.73Å; F211-W441 AromaticContact CZ-CE2 3.94Å; F211-W441 AromaticContact CZ-CE3 3.4Å; F211-W441 HydrophobicContact CZ-CE3 3.4Å; F211-W441 VanDerWaalsContact CZ-CE3 3.4Å; F211-W441 AromaticContact CZ-CH2 3.57Å; F211-W441 HydrophobicContact CZ-CH2 3.57Å; F211-W441 AromaticContact CZ-CZ2 3.88Å; F211-W441 HydrophobicContact CZ-CZ2 3.88Å; F211-W441 AromaticContact CZ-CZ3 3.32Å; F211-W441 HydrophobicContact CZ-CZ3 3.32Å
212	Y	88.8	Confident	86.2	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-39.9	177.4	-64.3	-46.9	0	0	0	112.4	L121 W127 P203 C208 L209 I214 I215 F216 I256 I263 L443	L121-Y212 HydrophobicContact CD2-CD1 3.79Å; L121-Y212 HydrophobicContact CD2-CD2 3.95Å; L121-Y212 HydrophobicContact CD2-CE1 4.11Å; L121-Y212 HydrophobicContact CD2-CE2 4.27Å; L121-Y212 HydrophobicContact CD2-CG 3.71Å; W127-Y212 AromaticContact CH2-CE1 3.63Å; W127-Y212 HydrophobicContact CH2-CE1 3.63Å; W127-Y212 AromaticContact CH2-CZ 3.8Å; W127-Y212 WeakPolarHBondContact CH2-OH 3.23Å; W127-Y212 HydrophobicContact CZ2-CE1 4.12Å; W127-Y212 HydrophobicContact CZ3-CE1 4.25Å; W127-Y212 AromaticContact CZ3-CZ 3.95Å; W127-Y212 WeakPolarHBondContact CZ3-OH 3.34Å; P203-Y212 WeakPolarHBondContact CA-OH 3.35Å; P203-Y212 WeakPolarHBondContact O-CE2 3Å; C208-Y212 HydrophobicContact CB-CE2 4.43Å; C208-Y212 VanDerWaalsContact O-CD2 3.25Å; C208-Y212 WeakPolarHBondContact O-CD2 3.3Å; C208-Y212 PolarHBondContact O-N 2.99Å; C208-Y212 VanDerWaalsContact SG-CE2 3.51Å; C208-Y212 PolarHBondContact SG-OH 3.27Å; C208-Y212 VanDerWaalsContact SG-OH 3.39Å; L209-Y212 HydrophobicContact CD2-CD2 4.27Å; L209-Y212 PolarHBondContact O-N 2.98Å; Y212-I214 VanDerWaalsContact C-N 3.3Å; Y212-I214 PolarHBondContact O-N 3.21Å; Y212-I215 PolarHBondContact O-N 2.86Å; Y212-F216 VanDerWaalsContact O-CB 3.31Å; Y212-F216 WeakPolarHBondContact O-CB 3.33Å; Y212-F216 PolarHBondContact O-N 3.08Å; Y212-I256 HydrophobicContact CD2-CG2 4.47Å; Y212-I263 HydrophobicContact CD2-CG2 4.24Å; Y212-I263 HydrophobicContact CE2-CD1 3.88Å; Y212-I263 HydrophobicContact CE2-CG2 4.36Å; Y212-L443 HydrophobicContact CD1-CD1 3.87Å; Y212-L443 HydrophobicContact CE1-CD1 3.81Å; Y212-L443 HydrophobicContact CE1-CD2 3.8Å; Y212-L443 HydrophobicContact CE1-CG 4.49Å
213	N	86.6	Confident	86.3	Confident	14 Å²	14	39.5 Å²	39.5	8%	0.075	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-32.6	173.8	-74.9	-82.2	0	0	0	112.1	L209 Q210 F211 R217 I256	L209-N213 PolarHBondContact O-N 3.47Å; L209-N213 PolarHBondContact O-ND2 3.3Å; Q210-N213 PolarHBondContact O-N 3.44Å; F211-N213 VanDerWaalsContact C-N 3.3Å; F211-N213 PolarHBondContact O-N 3.39Å; N213-R217 WeakPolarHBondContact O-CB 3.05Å; N213-R217 WeakPolarHBondContact O-CG 3.33Å; N213-R217 PolarHBondContact O-N 2.71Å; N213-R217 VanDerWaalsContact O-N 3.13Å; N213-I256 PolarHBondContact ND2-O 3.08Å; N213-I256 PolarHBondContact OD1-N 3.11Å
214	I	84.7	Confident	86.6	Confident	93 Å²	93	43 Å²	43	48%	0.477	22%	0.215	S	C	.	.	H	α-helix	trans	-67.3	-48.3	173.9	-68	164.9	0	0	0	111.1	Q210 F211 Y212 R217 R218	Q210-I214 WeakPolarHBondContact O-CG1 3.49Å; Q210-I214 PolarHBondContact O-N 3.05Å; Q210-I214 VanDerWaalsContact O-N 3.08Å; F211-I214 WeakPolarHBondContact O-CA 3.42Å; F211-I214 WeakPolarHBondContact O-CB 3.06Å; F211-I214 PolarHBondContact O-N 2.85Å; Y212-I214 VanDerWaalsContact C-N 3.3Å; Y212-I214 PolarHBondContact O-N 3.21Å; I214-R217 PolarHBondContact O-N 3.04Å; I214-R218 PolarHBondContact O-N 2.97Å; I214-R218 VanDerWaalsContact O-N 3.16Å
215	I	88.3	Confident	86.9	Confident	5 Å²	5	39.2 Å²	39.2	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-61.2	-46.2	176.7	-64	-52	0	0	0	110.6	F211 Y212 R217 R218 L219 W441	F211-I215 HydrophobicContact CD1-CG1 4.35Å; F211-I215 HydrophobicContact CD2-CG1 4.23Å; F211-I215 HydrophobicContact CE1-CG1 3.7Å; F211-I215 HydrophobicContact CE2-CD1 3.68Å; F211-I215 HydrophobicContact CE2-CG1 3.56Å; F211-I215 HydrophobicContact CZ-CD1 3.71Å; F211-I215 HydrophobicContact CZ-CG1 3.23Å; F211-I215 PolarHBondContact O-N 3.39Å; Y212-I215 PolarHBondContact O-N 2.86Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 2.72Å; I215-R218 CarbonylContact O-C 3.45Å; I215-R218 WeakPolarHBondContact O-CA 3.44Å; I215-R218 VanDerWaalsContact O-CB 3.24Å; I215-R218 WeakPolarHBondContact O-CB 3.25Å; I215-R218 PolarHBondContact O-N 3.48Å; I215-L219 HydrophobicContact CG2-CD2 4.39Å; I215-L219 HydrophobicContact CG2-CG 4.42Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 3.15Å; I215-W441 HydrophobicContact CD1-CD2 4.4Å; I215-W441 HydrophobicContact CD1-CZ2 3.79Å
216	F	90.6	Very high	87.1	Confident	5 Å²	5	41.4 Å²	41.4	2%	0.022	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-39.4	179.9	-161.8	-105.3	0	0	0	112.5	Y212 R218 L219 L220 T254 I256 L265 L424 I428 F445	Y212-F216 VanDerWaalsContact O-CB 3.31Å; Y212-F216 WeakPolarHBondContact O-CB 3.33Å; Y212-F216 PolarHBondContact O-N 3.08Å; F216-R218 VanDerWaalsContact C-N 3.25Å; F216-R218 PolarHBondContact O-N 3.49Å; F216-L219 HydrophobicContact CD2-CD1 4.07Å; F216-L219 WeakPolarHBondContact O-CB 3.42Å; F216-L219 PolarHBondContact O-N 3.33Å; F216-L219 VanDerWaalsContact O-N 3.15Å; F216-L220 HydrophobicContact CD1-CD1 3.79Å; F216-L220 HydrophobicContact CD1-CG 4.17Å; F216-L220 HydrophobicContact CE1-CD1 3.78Å; F216-L220 HydrophobicContact CE1-CD2 3.97Å; F216-L220 HydrophobicContact CE1-CG 3.99Å; F216-L220 HydrophobicContact CZ-CD2 4.29Å; F216-L220 WeakPolarHBondContact O-CG 3.48Å; F216-L220 PolarHBondContact O-N 3.44Å; F216-T254 HydrophobicContact CE1-CG2 3.78Å; F216-I256 HydrophobicContact CB-CD1 3.64Å; F216-I256 HydrophobicContact CD2-CD1 3.89Å; F216-I256 HydrophobicContact CG-CD1 3.77Å; F216-I256 HydrophobicContact CG-CG1 4.46Å; F216-L265 HydrophobicContact CD1-CD1 4.13Å; F216-L265 HydrophobicContact CE1-CD1 3.64Å; F216-L265 HydrophobicContact CE1-CD2 4.22Å; F216-L265 HydrophobicContact CE2-CD1 4.24Å; F216-L265 HydrophobicContact CE2-CD2 3.69Å; F216-L265 HydrophobicContact CZ-CD1 3.71Å; F216-L265 HydrophobicContact CZ-CD2 3.42Å; F216-L265 VanDerWaalsContact CZ-CD2 3.42Å; F216-L265 HydrophobicContact CZ-CG 4.22Å; F216-L424 HydrophobicContact CZ-CD2 4.24Å; F216-I428 HydrophobicContact CE2-CD1 3.75Å; F216-I428 HydrophobicContact CZ-CD1 4.04Å; F216-F445 AromaticContact CD2-CE2 3.91Å; F216-F445 HydrophobicContact CD2-CE2 3.91Å; F216-F445 AromaticContact CD2-CZ 3.56Å; F216-F445 HydrophobicContact CD2-CZ 3.56Å; F216-F445 HydrophobicContact CE2-CE1 4.45Å; F216-F445 AromaticContact CE2-CE2 3.74Å; F216-F445 HydrophobicContact CE2-CE2 3.74Å; F216-F445 AromaticContact CE2-CZ 3.6Å; F216-F445 HydrophobicContact CE2-CZ 3.6Å
217	R	87.9	Confident	87.4	Confident	82 Å²	82	42.7 Å²	42.7	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-65.2	-23.1	171.8	-68.7	175.7	179.2	151.6	0.9	113.8	D85 N213 I214 I215 K221 Y232	D85-R217 IonicContact OD1-NH2 2.6Å; D85-R217 PolarHBondContact OD1-NH2 2.83Å; D85-R217 IonicContact OD2-CZ 2.68Å; D85-R217 VanDerWaalsContact OD2-CZ 3.23Å; D85-R217 IonicContact OD2-NH1 3.27Å; D85-R217 PolarHBondContact OD2-NH1 2.9Å; D85-R217 IonicContact OD2-NH2 2.76Å; D85-R217 PolarHBondContact OD2-NH2 3.3Å; N213-R217 WeakPolarHBondContact O-CB 3.05Å; N213-R217 WeakPolarHBondContact O-CG 3.33Å; N213-R217 PolarHBondContact O-N 2.71Å; N213-R217 VanDerWaalsContact O-N 3.13Å; I214-R217 PolarHBondContact O-N 3.04Å; I215-R217 VanDerWaalsContact C-N 3.29Å; I215-R217 PolarHBondContact O-N 2.72Å; R217-K221 WeakPolarHBondContact O-CG 3.4Å; R217-Y232 HydrophobicContact CG-CE2 4.36Å; R217-Y232 VanDerWaalsContact CG-OH 3.26Å; R217-Y232 WeakPolarHBondContact CG-OH 3.49Å
218	R	88	Confident	87.6	Confident	97 Å²	97	40.5 Å²	40.5	37%	0.366	19%	0.187	S	C	.	.	H	α-helix	trans	-74.4	-44.8	168.9	177.3	178.5	172.2	163	-6.7	110.3	I214 I215 F216 L220 K221 I222 E437	I214-R218 PolarHBondContact O-N 2.97Å; I214-R218 VanDerWaalsContact O-N 3.16Å; I215-R218 CarbonylContact O-C 3.45Å; I215-R218 WeakPolarHBondContact O-CA 3.44Å; I215-R218 VanDerWaalsContact O-CB 3.24Å; I215-R218 WeakPolarHBondContact O-CB 3.25Å; I215-R218 PolarHBondContact O-N 3.48Å; F216-R218 VanDerWaalsContact C-N 3.25Å; F216-R218 PolarHBondContact O-N 3.49Å; R218-L220 PolarHBondContact O-N 3.38Å; R218-K221 WeakPolarHBondContact O-CB 3.37Å; R218-K221 PolarHBondContact O-N 3.32Å; R218-K221 VanDerWaalsContact O-N 3.12Å; R218-I222 HydrophobicContact CG-CD1 4.13Å; R218-I222 WeakPolarHBondContact O-CG1 3.36Å; R218-I222 PolarHBondContact O-N 2.86Å; R218-E437 IonicContact CZ-OE1 2.85Å; R218-E437 IonicContact CZ-OE2 3.62Å; R218-E437 IonicContact NE-OE1 2.82Å; R218-E437 PolarHBondContact NE-OE1 3.07Å; R218-E437 IonicContact NE-OE2 3.96Å; R218-E437 PolarHBondContact NE-OE2 2.92Å; R218-E437 IonicContact NH1-OE1 3.72Å; R218-E437 PolarHBondContact NH1-OE1 2.61Å; R218-E437 IonicContact NH2-OE1 3.89Å; R218-E437 PolarHBondContact NH2-OE1 3.29Å; R218-E437 IonicContact NH2-OE2 3.58Å; R218-E437 PolarHBondContact NH2-OE2 2.95Å
219	L	92.2	Very high	87.4	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-46.7	176.5	-51.7	-174.2	0	0	0	112.1	I215 F216 K221 I222 M223 V434 E437 L438 F445	I215-L219 HydrophobicContact CG2-CD2 4.39Å; I215-L219 HydrophobicContact CG2-CG 4.42Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 3.15Å; F216-L219 HydrophobicContact CD2-CD1 4.07Å; F216-L219 WeakPolarHBondContact O-CB 3.42Å; F216-L219 PolarHBondContact O-N 3.33Å; F216-L219 VanDerWaalsContact O-N 3.15Å; L219-K221 PolarHBondContact O-N 3.43Å; L219-I222 PolarHBondContact O-N 3.02Å; L219-M223 PolarHBondContact O-N 2.9Å; L219-M223 VanDerWaalsContact O-N 3.08Å; L219-V434 HydrophobicContact CB-CG1 4.16Å; L219-V434 HydrophobicContact CD1-CG1 4.22Å; L219-V434 HydrophobicContact CD2-CG1 4.17Å; L219-V434 HydrophobicContact CG-CG1 4.38Å; L219-E437 HydrophobicContact CD2-CB 3.93Å; L219-E437 HydrophobicContact CD2-CG 3.6Å; L219-L438 HydrophobicContact CD1-CD1 4.07Å; L219-L438 HydrophobicContact CD1-CD2 3.72Å; L219-L438 HydrophobicContact CD1-CG 3.79Å; L219-L438 HydrophobicContact CD2-CG 4.44Å; L219-F445 HydrophobicContact CD1-CE2 4.33Å
220	L	92.1	Very high	87.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.2	-34	178.3	-64.3	168.3	0	0	0	112.4	F216 R218 M223 L225 Y232 L424	F216-L220 HydrophobicContact CD1-CD1 3.79Å; F216-L220 HydrophobicContact CD1-CG 4.17Å; F216-L220 HydrophobicContact CE1-CD1 3.78Å; F216-L220 HydrophobicContact CE1-CD2 3.97Å; F216-L220 HydrophobicContact CE1-CG 3.99Å; F216-L220 HydrophobicContact CZ-CD2 4.29Å; F216-L220 WeakPolarHBondContact O-CG 3.48Å; F216-L220 PolarHBondContact O-N 3.44Å; R218-L220 PolarHBondContact O-N 3.38Å; L220-M223 HydrophobicContact CD2-CE 3.79Å; L220-M223 PolarHBondContact O-N 2.9Å; L220-L225 HydrophobicContact CB-CD1 4.5Å; L220-L225 HydrophobicContact CD2-CD1 3.73Å; L220-L225 WeakPolarHBondContact O-CB 3.42Å; L220-L225 PolarHBondContact O-N 3.13Å; L220-Y232 HydrophobicContact CB-CD1 3.79Å; L220-Y232 HydrophobicContact CB-CE1 4.12Å; L220-Y232 HydrophobicContact CB-CG 4.19Å; L220-Y232 HydrophobicContact CD1-CD1 3.94Å; L220-Y232 HydrophobicContact CD1-CD2 3.48Å; L220-Y232 VanDerWaalsContact CD1-CD2 3.48Å; L220-Y232 HydrophobicContact CD1-CE1 4.14Å; L220-Y232 HydrophobicContact CD1-CE2 3.71Å; L220-Y232 HydrophobicContact CD1-CG 3.62Å; L220-Y232 HydrophobicContact CG-CD1 4.46Å; L220-Y232 HydrophobicContact CG-CG 4.39Å; L220-L424 HydrophobicContact CD2-CD1 3.85Å
221	K	88.3	Confident	87.5	Confident	131 Å²	131	48 Å²	48	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-74.7	-36.1	175	-69.4	174	-179.4	-175.5	0	113.3	R217 R218 L219 M223 N224	R217-K221 WeakPolarHBondContact O-CG 3.4Å; R218-K221 WeakPolarHBondContact O-CB 3.37Å; R218-K221 PolarHBondContact O-N 3.32Å; R218-K221 VanDerWaalsContact O-N 3.12Å; L219-K221 PolarHBondContact O-N 3.43Å; K221-M223 PolarHBondContact O-N 3.48Å; K221-N224 WeakPolarHBondContact O-CA 3.46Å; K221-N224 PolarHBondContact O-N 2.88Å
222	I	90.9	Very high	87.7	Confident	48 Å²	48	47.9 Å²	47.9	25%	0.246	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-28	173.8	-63.3	166.7	0	0	0	110.3	R218 L219 N224 N431 N433 V434 E437	R218-I222 HydrophobicContact CG-CD1 4.13Å; R218-I222 WeakPolarHBondContact O-CG1 3.36Å; R218-I222 PolarHBondContact O-N 2.86Å; L219-I222 PolarHBondContact O-N 3.02Å; I222-N224 VanDerWaalsContact C-N 3.26Å; I222-N224 PolarHBondContact O-N 2.79Å; I222-N431 PolarHBondContact O-ND2 3.45Å; I222-N433 HydrophobicContact CG2-CB 3.64Å; I222-V434 HydrophobicContact CB-CG2 3.94Å; I222-V434 HydrophobicContact CG2-CG2 3.69Å; I222-E437 HydrophobicContact CD1-CB 4.48Å
223	M	90.1	Very high	87.9	Confident	23 Å²	23	47.9 Å²	47.9	11%	0.113	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	11.9	170.8	-58.9	-174.7	-66.5	0	0	114	L219 L220 K221 L225 L424 Y427 I428 V434	L219-M223 PolarHBondContact O-N 2.9Å; L219-M223 VanDerWaalsContact O-N 3.08Å; L220-M223 HydrophobicContact CD2-CE 3.79Å; L220-M223 PolarHBondContact O-N 2.9Å; K221-M223 PolarHBondContact O-N 3.48Å; M223-L225 HydrophobicContact CB-CG 4.34Å; M223-L225 HydrophobicContact CE-CD1 4.29Å; M223-L225 PolarHBondContact O-N 3.33Å; M223-L225 VanDerWaalsContact O-N 3.12Å; M223-L424 HydrophobicContact CE-CD1 3.96Å; M223-Y427 VanDerWaalsContact SD-C 3.56Å; M223-Y427 VanDerWaalsContact SD-CB 3.59Å; M223-I428 HydrophobicContact CE-CD1 4.44Å; M223-I428 HydrophobicContact CE-CG1 3.76Å; M223-I428 HydrophobicContact SD-CG1 3.78Å; M223-V434 HydrophobicContact CG-CG2 3.58Å; M223-V434 HydrophobicContact SD-CG2 4.21Å
224	N	88.6	Confident	88	Confident	105 Å²	105	48.5 Å²	48.5	56%	0.561	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	16.9	-178.8	-63.6	-42.7	0	0	0	116.1	K221 I222 Q226	K221-N224 WeakPolarHBondContact O-CA 3.46Å; K221-N224 PolarHBondContact O-N 2.88Å; I222-N224 VanDerWaalsContact C-N 3.26Å; I222-N224 PolarHBondContact O-N 2.79Å; N224-Q226 PolarHBondContact O-N 2.76Å
225	L	90.4	Very high	88	Confident	6 Å²	6	45.5 Å²	45.5	3%	0.031	22%	0.216	C	C	.	.			trans	-73.4	128.7	176.1	-59.4	173.7	0	0	0	110.9	L220 M223 Y233 N234 F252 L424	L220-L225 HydrophobicContact CB-CD1 4.5Å; L220-L225 HydrophobicContact CD2-CD1 3.73Å; L220-L225 WeakPolarHBondContact O-CB 3.42Å; L220-L225 PolarHBondContact O-N 3.13Å; M223-L225 HydrophobicContact CB-CG 4.34Å; M223-L225 HydrophobicContact CE-CD1 4.29Å; M223-L225 PolarHBondContact O-N 3.33Å; M223-L225 VanDerWaalsContact O-N 3.12Å; L225-Y233 CarbonylContact C-O 3.53Å; L225-Y233 WeakPolarHBondContact CA-O 3.46Å; L225-N234 HydrophobicContact CD2-CB 3.72Å; L225-F252 HydrophobicContact CD1-CD2 4.4Å; L225-L424 HydrophobicContact CD1-CD1 4.34Å
226	Q	86.9	Confident	87.8	Confident	65 Å²	65	51.1 Å²	51.1	30%	0.304	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.8	-176.9	-63	-61.2	-39.9	0	0	111.1	N224 I228 Y232 Y233 P235 N314	N224-Q226 PolarHBondContact O-N 2.76Å; Q226-I228 PolarHBondContact O-N 3.39Å; Q226-Y232 CarbonylContact O-C 3.49Å; Q226-Y232 WeakPolarHBondContact O-CA 3.33Å; Q226-Y233 PolarHBondContact N-O 3.07Å; Q226-Y233 PolarHBondContact O-N 3.32Å; Q226-P235 HydrophobicContact CG-CG 3.68Å; Q226-N314 HydrophobicContact CB-CB 4.5Å; Q226-N314 WeakPolarHBondContact CG-ND2 3.15Å; Q226-N314 PolarHBondContact OE1-ND2 3.5Å
227	Q	86.7	Confident	87.6	Confident	84 Å²	84	54.1 Å²	54.1	39%	0.393	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.9	177.8	-172.2	180	-14.4	0	0	110.7	G229 N231 Y232	Q227-G229 PolarHBondContact NE2-O 3.16Å; Q227-N231 WeakPolarHBondContact CA-O 3.45Å; Q227-Y232 HydrophobicContact CB-CD1 3.96Å; Q227-Y232 HydrophobicContact CB-CE1 3.54Å; Q227-Y232 HydrophobicContact CG-CD1 4.4Å; Q227-Y232 HydrophobicContact CG-CE1 3.82Å; Q227-Y232 HydrophobicContact CG-CE2 4.24Å; Q227-Y232 PolarHBondContact OE1-OH 2.86Å
228	I	83	Confident	87.6	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113	169.5	-55.5	175.6	0	0	0	108.1	Q226 R230 N231 Y233 W249 K272 L309 T316	Q226-I228 PolarHBondContact O-N 3.39Å; I228-R230 PolarHBondContact O-N 3.43Å; I228-R230 VanDerWaalsContact O-N 3.1Å; I228-N231 PolarHBondContact N-O 3.34Å; I228-N231 PolarHBondContact O-N 3.13Å; I228-N231 VanDerWaalsContact O-N 3.15Å; I228-Y233 HydrophobicContact CB-CD2 3.75Å; I228-Y233 HydrophobicContact CB-CE2 3.78Å; I228-Y233 HydrophobicContact CD1-CD2 3.91Å; I228-Y233 HydrophobicContact CG1-CD2 3.96Å; I228-Y233 HydrophobicContact CG1-CE2 4.47Å; I228-W249 HydrophobicContact CD1-CE3 3.88Å; I228-W249 HydrophobicContact CD1-CZ3 3.9Å; I228-K272 HydrophobicContact CD1-CG 4.32Å; I228-K272 HydrophobicContact CG2-CD 4.38Å; I228-L309 HydrophobicContact CD1-CD1 4.07Å; I228-L309 HydrophobicContact CD1-CD2 4.26Å; I228-L309 HydrophobicContact CG1-CD1 4.35Å; I228-T316 HydrophobicContact CG2-CG2 3.74Å
229	G	80.4	Confident	87.8	Confident	41 Å²	41	50.5 Å²	50.5	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-109.5	-171.7	0	0	0	0	0	112.1	Q227	Q227-G229 PolarHBondContact NE2-O 3.16Å
230	R	78.3	Confident	87.7	Confident	170 Å²	170	55.1 Å²	55.1	64%	0.642	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-9.7	179.4	-71.1	178.4	167.1	-169.1	-12.3	114.1	I228	I228-R230 PolarHBondContact O-N 3.43Å; I228-R230 VanDerWaalsContact O-N 3.1Å
231	N	89.3	Confident	87.5	Confident	24 Å²	24	55.6 Å²	55.6	13%	0.128	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	163.9	-171.1	-56.8	-16	0	0	0	109.9	Q227 I228 Y233 T253 S270	Q227-N231 WeakPolarHBondContact CA-O 3.45Å; I228-N231 PolarHBondContact N-O 3.34Å; I228-N231 PolarHBondContact O-N 3.13Å; I228-N231 VanDerWaalsContact O-N 3.15Å; N231-Y233 HydrophobicContact CB-CD2 4.42Å; N231-Y233 HydrophobicContact CB-CE2 3.51Å; N231-Y233 WeakPolarHBondContact CB-OH 3.24Å; N231-Y233 PolarHBondContact ND2-OH 2.93Å; N231-T253 PolarHBondContact OD1-OG1 3.29Å; N231-S270 PolarHBondContact ND2-OG 2.96Å; N231-S270 VanDerWaalsContact ND2-OG 3.12Å
232	Y	90.9	Very high	87.3	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.5	-176.4	-69.5	-96	0	0	0	109.7	R217 L220 Q226 Q227 G251 F252	R217-Y232 HydrophobicContact CG-CE2 4.36Å; R217-Y232 VanDerWaalsContact CG-OH 3.26Å; R217-Y232 WeakPolarHBondContact CG-OH 3.49Å; L220-Y232 HydrophobicContact CB-CD1 3.79Å; L220-Y232 HydrophobicContact CB-CE1 4.12Å; L220-Y232 HydrophobicContact CB-CG 4.19Å; L220-Y232 HydrophobicContact CD1-CD1 3.94Å; L220-Y232 HydrophobicContact CD1-CD2 3.48Å; L220-Y232 VanDerWaalsContact CD1-CD2 3.48Å; L220-Y232 HydrophobicContact CD1-CE1 4.14Å; L220-Y232 HydrophobicContact CD1-CE2 3.71Å; L220-Y232 HydrophobicContact CD1-CG 3.62Å; L220-Y232 HydrophobicContact CG-CD1 4.46Å; L220-Y232 HydrophobicContact CG-CG 4.39Å; Q226-Y232 CarbonylContact O-C 3.49Å; Q226-Y232 WeakPolarHBondContact O-CA 3.33Å; Q227-Y232 HydrophobicContact CB-CD1 3.96Å; Q227-Y232 HydrophobicContact CB-CE1 3.54Å; Q227-Y232 HydrophobicContact CG-CD1 4.4Å; Q227-Y232 HydrophobicContact CG-CE1 3.82Å; Q227-Y232 HydrophobicContact CG-CE2 4.24Å; Q227-Y232 PolarHBondContact OE1-OH 2.86Å; Y232-G251 CarbonylContact O-C 3.53Å; Y232-G251 WeakPolarHBondContact O-CA 3.5Å; Y232-F252 PolarHBondContact N-O 2.67Å; Y232-F252 PolarHBondContact O-N 3.02Å
233	Y	91.2	Very high	87.1	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.4	-172	-60	-82	0	0	0	111.2	L225 Q226 I228 N231 P235 W249 P250 S270 K272	L225-Y233 CarbonylContact C-O 3.53Å; L225-Y233 WeakPolarHBondContact CA-O 3.46Å; Q226-Y233 PolarHBondContact N-O 3.07Å; Q226-Y233 PolarHBondContact O-N 3.32Å; I228-Y233 HydrophobicContact CB-CD2 3.75Å; I228-Y233 HydrophobicContact CB-CE2 3.78Å; I228-Y233 HydrophobicContact CD1-CD2 3.91Å; I228-Y233 HydrophobicContact CG1-CD2 3.96Å; I228-Y233 HydrophobicContact CG1-CE2 4.47Å; N231-Y233 HydrophobicContact CB-CD2 4.42Å; N231-Y233 HydrophobicContact CB-CE2 3.51Å; N231-Y233 WeakPolarHBondContact CB-OH 3.24Å; N231-Y233 PolarHBondContact ND2-OH 2.93Å; Y233-P235 WeakPolarHBondContact O-CD 3.33Å; Y233-W249 WeakPolarHBondContact CD1-O 3.18Å; Y233-P250 CarbonylContact C-O 3.47Å; Y233-P250 WeakPolarHBondContact CA-O 3.43Å; Y233-S270 PolarHBondContact OH-OG 3.06Å; Y233-K272 HydrophobicContact CD1-CB 3.93Å; Y233-K272 HydrophobicContact CD2-CB 4.34Å; Y233-K272 HydrophobicContact CE1-CB 3.71Å; Y233-K272 VanDerWaalsContact CE1-N 3.33Å; Y233-K272 HydrophobicContact CE2-CB 4.11Å; Y233-K272 HydrophobicContact CG-CB 4.24Å
234	N	89.6	Confident	86.8	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.144	31%	0.313	C	S	.	.			trans	-96.4	106.4	174.3	-171.8	7.6	0	0	0	109.7	L225 N236 D237 P250	L225-N234 HydrophobicContact CD2-CB 3.72Å; N234-N236 PolarHBondContact O-N 3.48Å; N234-N236 WeakPolarHBondContact OD1-CB 3.35Å; N234-N236 PolarHBondContact OD1-N 3.4Å; N234-N236 VanDerWaalsContact OD1-N 3.08Å; N234-D237 VanDerWaalsContact ND2-CB 3.32Å; N234-D237 WeakPolarHBondContact ND2-CB 3.47Å; N234-P250 PolarHBondContact N-O 2.86Å
235	P	84.4	Confident	86.7	Confident	30 Å²	30	58.9 Å²	58.9	20%	0.195	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.8	175.4	34.8	-39	0	0	0	112.7	Q226 Y233 W249	Q226-P235 HydrophobicContact CG-CG 3.68Å; Y233-P235 WeakPolarHBondContact O-CD 3.33Å; P235-W249 HydrophobicContact CB-CD2 4.14Å; P235-W249 HydrophobicContact CB-CE3 4.18Å; P235-W249 HydrophobicContact CB-CH2 3.88Å; P235-W249 HydrophobicContact CB-CZ2 3.81Å; P235-W249 HydrophobicContact CB-CZ3 4.06Å
236	N	85.1	Confident	86.6	Confident	123 Å²	123	58.7 Å²	58.7	66%	0.658	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.9	-175.4	-56.3	-24.2	0	0	0	113.1	N234 P238	N234-N236 PolarHBondContact O-N 3.48Å; N234-N236 WeakPolarHBondContact OD1-CB 3.35Å; N234-N236 PolarHBondContact OD1-N 3.4Å; N234-N236 VanDerWaalsContact OD1-N 3.08Å; N236-P238 VanDerWaalsContact C-CD 3.43Å
237	D	85.3	Confident	86.7	Confident	68 Å²	68	56.5 Å²	56.5	36%	0.364	30%	0.301	S	S	.	.	S	Bend	trans	-131.8	59.9	176.2	-172	27.5	0	0	0	109.5	N234 P250	N234-D237 VanDerWaalsContact ND2-CB 3.32Å; N234-D237 WeakPolarHBondContact ND2-CB 3.47Å; D237-P250 WeakPolarHBondContact O-CD 3.49Å; D237-P250 VanDerWaalsContact O-CG 3.26Å; D237-P250 WeakPolarHBondContact O-CG 3.41Å
238	P	89	Confident	86.9	Confident	53 Å²	53	52.5 Å²	52.5	34%	0.344	28%	0.283	S	S	.	.			trans	-74	146.3	-178.9	32.8	-34.9	0	0	0	111.2	N236 V247	N236-P238 VanDerWaalsContact C-CD 3.43Å; P238-V247 HydrophobicContact CB-CG1 3.7Å
239	I	90.8	Very high	87.2	Confident	50 Å²	50	53.7 Å²	53.7	26%	0.256	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	107	169.7	-54.7	172.7	0	0	0	107.9	I248	I239-I248 HydrophobicContact CB-CB 4.22Å; I239-I248 PolarHBondContact N-O 3.31Å; I239-I248 PolarHBondContact O-N 2.64Å
240	D	90	Very high	87.8	Confident	99 Å²	99	52.8 Å²	52.8	53%	0.529	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141	177.2	-67.3	-57.2	0	0	0	112.4	P242 V247	D240-P242 HydrophobicContact CB-CG 4.33Å; D240-V247 WeakPolarHBondContact OD1-CG2 3.49Å
241	I	88.8	Confident	88.5	Confident	10 Å²	10	44.8 Å²	44.8	5%	0.051	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	79.7	168.3	-56.2	-177.5	0	0	0	107.4	S243 H244 R245 L246 I248 L406	I241-S243 VanDerWaalsContact C-N 3.28Å; I241-S243 PolarHBondContact O-N 3.33Å; I241-H244 HydrophobicContact CG2-CB 4.32Å; I241-H244 PolarHBondContact O-N 2.76Å; I241-R245 PolarHBondContact O-N 2.77Å; I241-L246 HydrophobicContact CB-CB 4.22Å; I241-L246 PolarHBondContact N-O 3.07Å; I241-L246 PolarHBondContact O-N 2.76Å; I241-I248 HydrophobicContact CD1-CD1 3.84Å; I241-I248 HydrophobicContact CD1-CG1 4.31Å; I241-L406 HydrophobicContact CD1-CD1 4.15Å
242	P	84.6	Confident	88.7	Confident	107 Å²	107	44.3 Å²	44.3	70%	0.695	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-62.7	-33	-170.7	-24.6	35.5	0	0	0	113.4	D240 H244 R245	D240-P242 HydrophobicContact CB-CG 4.33Å; P242-H244 PolarHBondContact O-N 3.32Å; P242-H244 VanDerWaalsContact O-N 3.08Å; P242-R245 PolarHBondContact O-N 2.97Å
243	S	85.3	Confident	88.7	Confident	89 Å²	89	45.5 Å²	45.5	62%	0.622	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-55.7	-25.8	178.3	49.4	0	0	0	0	114	I241	I241-S243 VanDerWaalsContact C-N 3.28Å; I241-S243 PolarHBondContact O-N 3.33Å
244	H	84.6	Confident	88.7	Confident	41 Å²	41	46.4 Å²	46.4	19%	0.19	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-122.5	9.5	-176.5	-55.7	-55.7	0	0	0	113.3	I241 P242 L246 V402 D405	I241-H244 HydrophobicContact CG2-CB 4.32Å; I241-H244 PolarHBondContact O-N 2.76Å; P242-H244 PolarHBondContact O-N 3.32Å; P242-H244 VanDerWaalsContact O-N 3.08Å; H244-L246 VanDerWaalsContact C-N 3.26Å; H244-L246 HydrophobicContact CB-CD1 4.32Å; H244-L246 HydrophobicContact CB-CG 4.27Å; H244-L246 PolarHBondContact O-N 2.87Å; H244-V402 HydrophobicContact CB-CG1 4.43Å; H244-V402 HydrophobicContact CB-CG2 4.4Å; H244-V402 WeakPolarHBondContact ND1-CG2 3.48Å; H244-D405 IonicContact CD2-OD2 3.4Å; H244-D405 IonicContact CE1-OD2 2.67Å; H244-D405 IonicContact NE2-OD2 2.93Å; H244-D405 PolarHBondContact NE2-OD2 2.9Å
245	R	85.8	Confident	88.8	Confident	139 Å²	139	46.2 Å²	46.2	53%	0.525	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	43.7	-173.2	-57.5	-178.9	-178.1	179.5	-2	112.9	I241 P242 R275 S276 E277 N285	I241-R245 PolarHBondContact O-N 2.77Å; P242-R245 PolarHBondContact O-N 2.97Å; R245-R275 WeakPolarHBondContact O-CA 3.47Å; R245-S276 PolarHBondContact O-N 3.4Å; R245-S276 PolarHBondContact O-OG 3.32Å; R245-E277 IonicContact NH1-OE2 3.37Å; R245-N285 PolarHBondContact NH1-ND2 3.23Å
246	L	89.1	Confident	89.1	Confident	1 Å²	1	45 Å²	45	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.8	179.3	-73.1	-177.8	0	0	0	111.1	I241 H244 V273 L274 R275 L392 M396 V402 L406	I241-L246 HydrophobicContact CB-CB 4.22Å; I241-L246 PolarHBondContact N-O 3.07Å; I241-L246 PolarHBondContact O-N 2.76Å; H244-L246 VanDerWaalsContact C-N 3.26Å; H244-L246 HydrophobicContact CB-CD1 4.32Å; H244-L246 HydrophobicContact CB-CG 4.27Å; H244-L246 PolarHBondContact O-N 2.87Å; L246-V273 HydrophobicContact CD1-CG1 4.18Å; L246-V273 HydrophobicContact CD2-CG1 3.67Å; L246-V273 HydrophobicContact CG-CG1 4.35Å; L246-L274 WeakPolarHBondContact CD2-O 3.32Å; L246-R275 HydrophobicContact CD2-CG 4.1Å; L246-L392 HydrophobicContact CD1-CD2 3.71Å; L246-L392 HydrophobicContact CD2-CD2 4.14Å; L246-M396 HydrophobicContact CD1-CE 3.97Å; L246-M396 HydrophobicContact CD2-CE 3.55Å; L246-M396 HydrophobicContact CG-CE 3.77Å; L246-V402 HydrophobicContact CD1-CG1 4.09Å; L246-L406 HydrophobicContact CD1-CD2 4.42Å
247	V	89.4	Confident	89.4	Confident	19 Å²	19	40.2 Å²	40.2	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.7	169.9	-170.7	0	0	0	0	108	P238 D240 L274	P238-V247 HydrophobicContact CB-CG1 3.7Å; D240-V247 WeakPolarHBondContact OD1-CG2 3.49Å; V247-L274 PolarHBondContact N-O 2.94Å; V247-L274 PolarHBondContact O-N 3.27Å
248	I	89.8	Confident	89.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.8	173.9	-43.1	178.4	0	0	0	108.7	I239 I241 P250 H271 K272 V273 L406 H409 T410	I239-I248 HydrophobicContact CB-CB 4.22Å; I239-I248 PolarHBondContact N-O 3.31Å; I239-I248 PolarHBondContact O-N 2.64Å; I241-I248 HydrophobicContact CD1-CD1 3.84Å; I241-I248 HydrophobicContact CD1-CG1 4.31Å; I248-P250 WeakPolarHBondContact O-CD 3.44Å; I248-H271 HydrophobicContact CG2-CB 3.74Å; I248-K272 WeakPolarHBondContact CA-O 3.3Å; I248-V273 HydrophobicContact CG1-CG2 4.27Å; I248-V273 HydrophobicContact CG2-CG2 4.36Å; I248-L406 HydrophobicContact CD1-CD1 3.53Å; I248-L406 HydrophobicContact CG1-CD1 4.07Å; I248-H409 HydrophobicContact CD1-CB 3.75Å; I248-T410 HydrophobicContact CD1-CG2 4.2Å
249	W	90.6	Very high	89.8	Confident	31 Å²	31	36.6 Å²	36.6	12%	0.117	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.8	165	-67.9	-5.8	0	0	0	109.3	I228 Y233 P235 K272 L274 L309	I228-W249 HydrophobicContact CD1-CE3 3.88Å; I228-W249 HydrophobicContact CD1-CZ3 3.9Å; Y233-W249 WeakPolarHBondContact CD1-O 3.18Å; P235-W249 HydrophobicContact CB-CD2 4.14Å; P235-W249 HydrophobicContact CB-CE3 4.18Å; P235-W249 HydrophobicContact CB-CH2 3.88Å; P235-W249 HydrophobicContact CB-CZ2 3.81Å; P235-W249 HydrophobicContact CB-CZ3 4.06Å; W249-K272 PolarHBondContact N-O 3.47Å; W249-K272 PolarHBondContact O-N 3.23Å; W249-L274 HydrophobicContact CD2-CD1 3.61Å; W249-L274 VanDerWaalsContact CE2-CD1 3.48Å; W249-L274 HydrophobicContact CE3-CD1 3.91Å; W249-L274 HydrophobicContact CG-CD1 4.18Å; W249-L274 HydrophobicContact CH2-CD1 3.98Å; W249-L274 HydrophobicContact CZ2-CD1 3.68Å; W249-L274 HydrophobicContact CZ3-CD1 4.09Å; W249-L309 HydrophobicContact CH2-CD2 4.11Å; W249-L309 HydrophobicContact CZ3-CD2 3.98Å
250	P	92.1	Very high	89.8	Confident	23 Å²	23	35.9 Å²	35.9	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	156	171.8	31.5	-34.1	0	0	0	110.1	Y233 N234 D237 I248	Y233-P250 CarbonylContact C-O 3.47Å; Y233-P250 WeakPolarHBondContact CA-O 3.43Å; N234-P250 PolarHBondContact N-O 2.86Å; D237-P250 WeakPolarHBondContact O-CD 3.49Å; D237-P250 VanDerWaalsContact O-CG 3.26Å; D237-P250 WeakPolarHBondContact O-CG 3.41Å; I248-P250 WeakPolarHBondContact O-CD 3.44Å
251	G	93.1	Very high	89.7	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.3	-169.7	-175.5	0	0	0	0	0	113.9	Y232 S270	Y232-G251 CarbonylContact O-C 3.53Å; Y232-G251 WeakPolarHBondContact O-CA 3.5Å; G251-S270 CarbonylContact C-O 3.55Å; G251-S270 PolarHBondContact N-O 3.26Å; G251-S270 PolarHBondContact O-N 2.69Å; G251-S270 VanDerWaalsContact O-O 3.1Å
252	F	93.6	Very high	89.8	Confident	13 Å²	13	37.5 Å²	37.5	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.3	-170.3	-56.3	-75.5	0	0	0	111.5	L225 Y232 T254 D268 E420 L424 Y427	L225-F252 HydrophobicContact CD1-CD2 4.4Å; Y232-F252 PolarHBondContact N-O 2.67Å; Y232-F252 PolarHBondContact O-N 3.02Å; F252-T254 HydrophobicContact CB-CG2 3.81Å; F252-D268 WeakPolarHBondContact CA-O 3.39Å; F252-E420 WeakPolarHBondContact CE1-O 3.29Å; F252-L424 HydrophobicContact CB-CD2 4.14Å; F252-L424 HydrophobicContact CD1-CB 4.06Å; F252-L424 HydrophobicContact CD1-CD2 4.19Å; F252-L424 HydrophobicContact CD2-CB 4.29Å; F252-L424 HydrophobicContact CD2-CD1 3.89Å; F252-L424 HydrophobicContact CD2-CD2 4.34Å; F252-L424 HydrophobicContact CD2-CG 4.4Å; F252-L424 HydrophobicContact CE1-CB 3.84Å; F252-L424 HydrophobicContact CE2-CB 4.08Å; F252-L424 HydrophobicContact CE2-CD1 4.1Å; F252-L424 HydrophobicContact CG-CB 4.28Å; F252-L424 HydrophobicContact CG-CD1 4.33Å; F252-L424 HydrophobicContact CG-CD2 3.94Å; F252-L424 HydrophobicContact CG-CG 4.42Å; F252-L424 HydrophobicContact CZ-CB 3.85Å; F252-Y427 HydrophobicContact CE2-CD2 4.41Å; F252-Y427 HydrophobicContact CE2-CE2 4.14Å; F252-Y427 HydrophobicContact CZ-CE2 4.41Å
253	T	91.6	Very high	90.2	Very high	27 Å²	27	33.1 Å²	33.1	17%	0.166	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.1	163	-54.7	0	0	0	0	107.2	N231 T267 D268 N745	N231-T253 PolarHBondContact OD1-OG1 3.29Å; T253-T267 VanDerWaalsContact O-CA 3.27Å; T253-T267 WeakPolarHBondContact O-CA 3.45Å; T253-D268 PolarHBondContact N-O 3.23Å; T253-D268 PolarHBondContact O-N 3.27Å; T253-N745 WeakPolarHBondContact CG2-ND2 3.49Å
254	T	90.9	Very high	90.7	Very high	22 Å²	22	28.9 Å²	28.9	14%	0.135	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.5	-167.9	59.8	0	0	0	0	112	F216 F252 C266 L424	F216-T254 HydrophobicContact CE1-CG2 3.78Å; F252-T254 HydrophobicContact CB-CG2 3.81Å; T254-C266 WeakPolarHBondContact CA-O 3.23Å; T254-L424 HydrophobicContact CG2-CD2 3.94Å
255	S	90.5	Very high	91.2	Very high	24 Å²	24	27 Å²	27	17%	0.168	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	128.3	173.2	55.2	0	0	0	0	111.3	C266	S255-C266 PolarHBondContact N-O 3.04Å; S255-C266 PolarHBondContact O-N 3.11Å
256	I	91.6	Very high	91.7	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.4	171.8	-61	179.1	0	0	0	109.1	L121 Y212 N213 F216 I263 M264 L265 F445	L121-I256 HydrophobicContact CD2-CD1 4.4Å; L121-I256 HydrophobicContact CD2-CG2 3.96Å; Y212-I256 HydrophobicContact CD2-CG2 4.47Å; N213-I256 PolarHBondContact ND2-O 3.08Å; N213-I256 PolarHBondContact OD1-N 3.11Å; F216-I256 HydrophobicContact CB-CD1 3.64Å; F216-I256 HydrophobicContact CD2-CD1 3.89Å; F216-I256 HydrophobicContact CG-CD1 3.77Å; F216-I256 HydrophobicContact CG-CG1 4.46Å; I256-I263 HydrophobicContact CG2-CG2 3.74Å; I256-M264 WeakPolarHBondContact CA-O 3.49Å; I256-L265 HydrophobicContact CG1-CB 4.13Å; I256-L265 HydrophobicContact CG1-CD1 3.81Å; I256-F445 HydrophobicContact CD1-CE1 4.25Å; I256-F445 HydrophobicContact CD1-CZ 4.03Å
257	L	90.3	Very high	92	Very high	24 Å²	24	20.4 Å²	20.4	13%	0.126	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.7	-172.5	-67.1	176.9	0	0	0	110.8	H87 Y259 I263 M264	H87-L257 WeakPolarHBondContact CE1-CD2 3.32Å; L257-Y259 HydrophobicContact CB-CD2 4.22Å; L257-Y259 HydrophobicContact CB-CE2 3.61Å; L257-Y259 VanDerWaalsContact O-CD2 3.24Å; L257-Y259 WeakPolarHBondContact O-CD2 3.42Å; L257-Y259 WeakPolarHBondContact O-CE2 3.46Å; L257-I263 WeakPolarHBondContact O-CA 3.47Å; L257-M264 PolarHBondContact N-O 3.31Å; L257-M264 PolarHBondContact O-N 3.16Å
258	Q	90.4	Very high	92.2	Very high	29 Å²	29	19.8 Å²	19.8	14%	0.136	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.5	158.1	-176.6	67.3	44	0	0	108.7	L209 R771 P772	L209-Q258 HydrophobicContact CD1-CB 3.85Å; L209-Q258 HydrophobicContact CD2-CB 4.21Å; Q258-R771 WeakPolarHBondContact O-CD 3.47Å; Q258-R771 PolarHBondContact O-NE 3.12Å; Q258-R771 PolarHBondContact O-NH1 2.93Å; Q258-R771 VanDerWaalsContact O-NH1 3.12Å; Q258-P772 HydrophobicContact CG-CG 4.01Å
259	Y	92.7	Very high	92.4	Very high	16 Å²	16	20.1 Å²	20.1	6%	0.063	11%	0.11	C	C	.	.			trans	-124.4	-177.4	169.2	-63.8	-87.9	0	0	0	109.4	H118 L257 N261 S262 M264 C266 E768 V769 T770	H118-Y259 AromaticContact CD2-CE2 3.87Å; H118-Y259 AromaticContact CD2-CZ 3.55Å; H118-Y259 PolarHBondContact CD2-OH 2.88Å; H118-Y259 AromaticContact NE2-CE1 3.74Å; H118-Y259 AromaticContact NE2-CZ 3.48Å; H118-Y259 PolarHBondContact NE2-OH 2.89Å; H118-Y259 VanDerWaalsContact NE2-OH 3.17Å; L257-Y259 HydrophobicContact CB-CD2 4.22Å; L257-Y259 HydrophobicContact CB-CE2 3.61Å; L257-Y259 VanDerWaalsContact O-CD2 3.24Å; L257-Y259 WeakPolarHBondContact O-CD2 3.42Å; L257-Y259 WeakPolarHBondContact O-CE2 3.46Å; Y259-N261 VanDerWaalsContact C-N 3.29Å; Y259-N261 PolarHBondContact O-N 2.83Å; Y259-N261 VanDerWaalsContact O-N 3.08Å; Y259-S262 PolarHBondContact N-O 2.94Å; Y259-S262 PolarHBondContact O-N 2.81Å; Y259-M264 HydrophobicContact CD2-CB 3.68Å; Y259-M264 HydrophobicContact CD2-CE 3.77Å; Y259-M264 HydrophobicContact CD2-CG 4.03Å; Y259-M264 HydrophobicContact CE2-CB 3.78Å; Y259-M264 HydrophobicContact CG-CE 3.71Å; Y259-C266 WeakPolarHBondContact OH-CB 3.5Å; Y259-E768 VanDerWaalsContact CB-O 3.29Å; Y259-E768 WeakPolarHBondContact CB-O 3.4Å; Y259-V769 VanDerWaalsContact CD1-C 3.5Å; Y259-V769 HydrophobicContact CD1-CB 4.49Å; Y259-V769 WeakPolarHBondContact CD1-O 3.48Å; Y259-V769 WeakPolarHBondContact CE1-O 3.33Å; Y259-T770 CarbonylContact C-O 3.58Å; Y259-T770 VanDerWaalsContact CA-O 3.29Å; Y259-T770 WeakPolarHBondContact CA-O 3.46Å
260	E	90.4	Very high	92.4	Very high	35 Å²	35	19.2 Å²	19.2	16%	0.164	11%	0.108	C	C	.	.	S	Bend	trans	-42.6	-51	-169.2	-153	67.3	-166.7	0	0	113.7	R94 K104 E768 T770	R94-E260 IonicContact CZ-OE1 2.68Å; R94-E260 IonicContact NH1-OE1 2.66Å; R94-E260 PolarHBondContact NH1-OE1 3.23Å; R94-E260 IonicContact NH2-OE1 3.01Å; K104-E260 VanDerWaalsContact CE-CD 3.47Å; K104-E260 VanDerWaalsContact CE-OE1 3.29Å; K104-E260 WeakPolarHBondContact CE-OE1 3.32Å; K104-E260 WeakPolarHBondContact CE-OE2 3.36Å; K104-E260 IonicContact NZ-OE1 3.29Å; K104-E260 IonicContact NZ-OE2 3.88Å; K104-E260 PolarHBondContact NZ-OE2 3.24Å; E260-E768 PolarHBondContact N-O 3.11Å; E260-T770 PolarHBondContact N-O 2.8Å; E260-T770 PolarHBondContact OE2-OG1 3.49Å
261	N	88.4	Confident	92.3	Very high	109 Å²	109	19.1 Å²	19.1	58%	0.583	11%	0.106	S	C	*	.	S	Bend	trans	-121.6	-5.1	-174.3	-63.9	-36.9	0	0	0	114.5	Y259 E768	Y259-N261 VanDerWaalsContact C-N 3.29Å; Y259-N261 PolarHBondContact O-N 2.83Å; Y259-N261 VanDerWaalsContact O-N 3.08Å; N261-E768 PolarHBondContact ND2-OE1 2.9Å
262	S	91.8	Very high	92	Very high	33 Å²	33	19.6 Å²	19.6	23%	0.231	11%	0.107	C	C	.	.	S	Bend	trans	-159.2	156.1	-168.9	-69.8	0	0	0	0	113.1	Y259	Y259-S262 PolarHBondContact N-O 2.94Å; Y259-S262 PolarHBondContact O-N 2.81Å
263	I	92.6	Very high	91.7	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.082	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.8	167.2	-55.4	165.4	0	0	0	107.2	L121 P203 L209 Y212 I256 L257	L121-I263 HydrophobicContact CB-CG2 4.23Å; L121-I263 HydrophobicContact CD2-CG2 3.97Å; L121-I263 PolarHBondContact N-O 3.12Å; P203-I263 HydrophobicContact CB-CD1 3.83Å; P203-I263 WeakPolarHBondContact O-CD1 3.44Å; L209-I263 HydrophobicContact CD2-CG1 4.38Å; L209-I263 HydrophobicContact CD2-CG2 4.11Å; Y212-I263 HydrophobicContact CD2-CG2 4.24Å; Y212-I263 HydrophobicContact CE2-CD1 3.88Å; Y212-I263 HydrophobicContact CE2-CG2 4.36Å; I256-I263 HydrophobicContact CG2-CG2 3.74Å; L257-I263 WeakPolarHBondContact O-CA 3.47Å
264	M	95.5	Very high	91.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.1	-175.4	-52.4	-166.2	-91.6	0	0	112.1	H118 F119 R120 I256 L257 Y259 L450 E768 V769	H118-M264 HydrophobicContact CB-CB 4.36Å; H118-M264 HydrophobicContact CB-SD 4.15Å; F119-M264 CarbonylContact O-C 3.38Å; F119-M264 VanDerWaalsContact O-CA 3.28Å; F119-M264 WeakPolarHBondContact O-CA 3.28Å; F119-M264 WeakPolarHBondContact O-CB 3.15Å; R120-M264 HydrophobicContact CG-CG 4.21Å; R120-M264 HydrophobicContact CG-SD 4.05Å; I256-M264 WeakPolarHBondContact CA-O 3.49Å; L257-M264 PolarHBondContact N-O 3.31Å; L257-M264 PolarHBondContact O-N 3.16Å; Y259-M264 HydrophobicContact CD2-CB 3.68Å; Y259-M264 HydrophobicContact CD2-CE 3.77Å; Y259-M264 HydrophobicContact CD2-CG 4.03Å; Y259-M264 HydrophobicContact CE2-CB 3.78Å; Y259-M264 HydrophobicContact CG-CE 3.71Å; M264-L450 HydrophobicContact CE-CD2 3.87Å; M264-L450 HydrophobicContact SD-CD1 4.24Å; M264-L450 HydrophobicContact SD-CD2 3.69Å; M264-L450 HydrophobicContact SD-CG 4.41Å; M264-E768 VanDerWaalsContact CE-O 3.23Å; M264-E768 WeakPolarHBondContact CE-O 3.4Å; M264-V769 HydrophobicContact CE-CG1 4.18Å
265	L	95.4	Very high	91.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	112.6	164	170.9	66.9	0	0	0	108.6	H118 F119 F216 I256 T267 I425 F445	H118-L265 CarbonylContact C-O 3.57Å; H118-L265 VanDerWaalsContact CA-O 3.28Å; H118-L265 WeakPolarHBondContact CA-O 3.25Å; F119-L265 PolarHBondContact N-O 2.94Å; F119-L265 PolarHBondContact O-N 2.77Å; F216-L265 HydrophobicContact CD1-CD1 4.13Å; F216-L265 HydrophobicContact CE1-CD1 3.64Å; F216-L265 HydrophobicContact CE1-CD2 4.22Å; F216-L265 HydrophobicContact CE2-CD1 4.24Å; F216-L265 HydrophobicContact CE2-CD2 3.69Å; F216-L265 HydrophobicContact CZ-CD1 3.71Å; F216-L265 HydrophobicContact CZ-CD2 3.42Å; F216-L265 VanDerWaalsContact CZ-CD2 3.42Å; F216-L265 HydrophobicContact CZ-CG 4.22Å; I256-L265 HydrophobicContact CG1-CB 4.13Å; I256-L265 HydrophobicContact CG1-CD1 3.81Å; L265-T267 HydrophobicContact CD2-CG2 4.43Å; L265-T267 HydrophobicContact CG-CG2 4.45Å; L265-I425 HydrophobicContact CD2-CD1 4.3Å; L265-F445 HydrophobicContact CB-CD1 4.22Å; L265-F445 HydrophobicContact CB-CE1 3.79Å; L265-F445 HydrophobicContact CD2-CD1 4.38Å; L265-F445 HydrophobicContact CD2-CE1 4.11Å; L265-F445 HydrophobicContact CD2-CZ 4.47Å
266	C	95.4	Very high	90.7	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.02	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	128.7	160.4	-172.7	0	0	0	0	108.9	H118 T254 S255 Y259	H118-C266 WeakPolarHBondContact NE2-CB 3.31Å; H118-C266 PolarHBondContact NE2-SG 3.15Å; H118-C266 VanDerWaalsContact NE2-SG 3.45Å; T254-C266 WeakPolarHBondContact CA-O 3.23Å; S255-C266 PolarHBondContact N-O 3.04Å; S255-C266 PolarHBondContact O-N 3.11Å; Y259-C266 WeakPolarHBondContact OH-CB 3.5Å
267	T	94.9	Very high	90.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.8	175.7	-175.9	0	0	0	0	112	N117 F119 T253 L265 V421 L424	N117-T267 VanDerWaalsContact CB-O 3.29Å; N117-T267 WeakPolarHBondContact CB-O 3.39Å; N117-T267 PolarHBondContact ND2-O 3.38Å; N117-T267 PolarHBondContact O-N 3.24Å; N117-T267 VanDerWaalsContact O-N 3.08Å; F119-T267 HydrophobicContact CD2-CG2 3.96Å; F119-T267 HydrophobicContact CE2-CG2 3.69Å; T253-T267 VanDerWaalsContact O-CA 3.27Å; T253-T267 WeakPolarHBondContact O-CA 3.45Å; L265-T267 HydrophobicContact CD2-CG2 4.43Å; L265-T267 HydrophobicContact CG-CG2 4.45Å; T267-V421 HydrophobicContact CG2-CG1 3.95Å; T267-L424 HydrophobicContact CG2-CD2 4.06Å; T267-L424 WeakPolarHBondContact OG1-CD2 3.5Å
268	D	94.7	Very high	90.5	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.032	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.7	176.1	-166.4	21.2	0	0	0	111	F252 T253 S270 R417 R747	F252-D268 WeakPolarHBondContact CA-O 3.39Å; T253-D268 PolarHBondContact N-O 3.23Å; T253-D268 PolarHBondContact O-N 3.27Å; D268-S270 PolarHBondContact O-N 2.99Å; D268-R417 WeakPolarHBondContact OD1-CD 3.42Å; D268-R417 IonicContact OD1-CZ 3.68Å; D268-R417 IonicContact OD1-NE 2.95Å; D268-R417 IonicContact OD1-NH1 2.68Å; D268-R417 PolarHBondContact OD1-NH1 3.08Å; D268-R417 IonicContact OD2-NH1 3.75Å; D268-R417 PolarHBondContact OD2-NH1 3.43Å; D268-R747 IonicContact OD2-CZ 3.46Å; D268-R747 IonicContact OD2-NE 3.67Å; D268-R747 PolarHBondContact OD2-NE 2.76Å; D268-R747 IonicContact OD2-NH2 3.74Å; D268-R747 PolarHBondContact OD2-NH2 3.47Å
269	V	93.1	Very high	90.7	Very high	7 Å²	7	18.6 Å²	18.6	4%	0.042	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	125.3	-178.9	-163.9	0	0	0	0	110.4	L412 R417 E420 V421	V269-L412 HydrophobicContact CB-CD1 3.97Å; V269-L412 HydrophobicContact CG1-CD1 3.99Å; V269-L412 HydrophobicContact CG2-CD1 3.78Å; V269-R417 HydrophobicContact CG2-CG 4.27Å; V269-E420 HydrophobicContact CG1-CB 4.42Å; V269-E420 HydrophobicContact CG2-CB 3.54Å; V269-V421 HydrophobicContact CG2-CG2 3.88Å
270	S	91.6	Very high	90.8	Very high	12 Å²	12	18.5 Å²	18.5	8%	0.084	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	147.6	176.3	-160	0	0	0	0	109.6	N231 Y233 G251 D268	N231-S270 PolarHBondContact ND2-OG 2.96Å; N231-S270 VanDerWaalsContact ND2-OG 3.12Å; Y233-S270 PolarHBondContact OH-OG 3.06Å; G251-S270 CarbonylContact C-O 3.55Å; G251-S270 PolarHBondContact N-O 3.26Å; G251-S270 PolarHBondContact O-N 2.69Å; G251-S270 VanDerWaalsContact O-O 3.1Å; D268-S270 PolarHBondContact O-N 2.99Å
271	H	89.7	Confident	90.8	Very high	20 Å²	20	20.1 Å²	20.1	9%	0.093	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	120.6	179.1	-61.6	86.3	0	0	0	107.6	I248 H409 T410	I248-H271 HydrophobicContact CG2-CB 3.74Å; H271-H409 PolarHBondContact NE2-O 3Å; H271-T410 HydrophobicContact CB-CG2 4.17Å
272	K	87.4	Confident	90.9	Very high	13 Å²	13	16 Å²	16	6%	0.057	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.6	170	-164.7	72.1	177.2	-179.8	0	107.6	E73 E78 I228 Y233 I248 W249 L274	E73-K272 IonicContact OE2-NZ 3.37Å; E78-K272 IonicContact OE1-NZ 2.87Å; E78-K272 PolarHBondContact OE1-NZ 3.5Å; I228-K272 HydrophobicContact CD1-CG 4.32Å; I228-K272 HydrophobicContact CG2-CD 4.38Å; Y233-K272 HydrophobicContact CD1-CB 3.93Å; Y233-K272 HydrophobicContact CD2-CB 4.34Å; Y233-K272 HydrophobicContact CE1-CB 3.71Å; Y233-K272 VanDerWaalsContact CE1-N 3.33Å; Y233-K272 HydrophobicContact CE2-CB 4.11Å; Y233-K272 HydrophobicContact CG-CB 4.24Å; I248-K272 WeakPolarHBondContact CA-O 3.3Å; W249-K272 PolarHBondContact N-O 3.47Å; W249-K272 PolarHBondContact O-N 3.23Å; K272-L274 HydrophobicContact CG-CD2 4.02Å
273	V	86.9	Confident	90.9	Very high	8 Å²	8	14.8 Å²	14.8	5%	0.048	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.1	175.1	178.1	0	0	0	0	109.4	F71 L246 I248 G391 L392 L406	F71-V273 HydrophobicContact CE1-CB 4.21Å; F71-V273 HydrophobicContact CE1-CG2 3.47Å; F71-V273 VanDerWaalsContact CE1-CG2 3.47Å; F71-V273 HydrophobicContact CZ-CG2 3.37Å; L246-V273 HydrophobicContact CD1-CG1 4.18Å; L246-V273 HydrophobicContact CD2-CG1 3.67Å; L246-V273 HydrophobicContact CG-CG1 4.35Å; I248-V273 HydrophobicContact CG1-CG2 4.27Å; I248-V273 HydrophobicContact CG2-CG2 4.36Å; V273-G391 PolarHBondContact O-N 2.7Å; V273-L392 HydrophobicContact CG1-CD2 4.07Å; V273-L406 HydrophobicContact CG2-CD1 3.93Å
274	L	84.4	Confident	90.7	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.026	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.9	176.9	-52.9	179	0	0	0	107.9	L246 V247 W249 K272 L309 T390	L246-L274 WeakPolarHBondContact CD2-O 3.32Å; V247-L274 PolarHBondContact N-O 2.94Å; V247-L274 PolarHBondContact O-N 3.27Å; W249-L274 HydrophobicContact CD2-CD1 3.61Å; W249-L274 VanDerWaalsContact CE2-CD1 3.48Å; W249-L274 HydrophobicContact CE3-CD1 3.91Å; W249-L274 HydrophobicContact CG-CD1 4.18Å; W249-L274 HydrophobicContact CH2-CD1 3.98Å; W249-L274 HydrophobicContact CZ2-CD1 3.68Å; W249-L274 HydrophobicContact CZ3-CD1 4.09Å; K272-L274 HydrophobicContact CG-CD2 4.02Å; L274-L309 HydrophobicContact CD1-CD2 3.81Å; L274-L309 HydrophobicContact CD2-CD2 3.72Å; L274-L309 HydrophobicContact CG-CD2 4.45Å; L274-T390 HydrophobicContact CD2-CG2 3.94Å
275	R	86.5	Confident	90.2	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.038	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.3	166.6	-52.5	-172.7	-159.2	157.3	13.8	108.1	R245 L246 E277 L389 G391	R245-R275 WeakPolarHBondContact O-CA 3.47Å; L246-R275 HydrophobicContact CD2-CG 4.1Å; R275-E277 HydrophobicContact CB-CG 4.21Å; R275-E277 PolarHBondContact O-N 3.26Å; R275-L389 HydrophobicContact CB-CB 4.21Å; R275-L389 HydrophobicContact CG-CB 4.13Å; R275-L389 PolarHBondContact N-O 2.9Å; R275-G391 PolarHBondContact NE-O 2.72Å; R275-G391 PolarHBondContact NH2-O 2.92Å
276	S	81.4	Confident	89.7	Confident	58 Å²	58	23.3 Å²	23.3	41%	0.406	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-21.2	177.9	-48.9	0	0	0	0	112.3	R245	R245-S276 PolarHBondContact O-N 3.4Å; R245-S276 PolarHBondContact O-OG 3.32Å
277	E	86.6	Confident	89.2	Confident	32 Å²	32	27.9 Å²	27.9	15%	0.15	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.3	179.8	75.5	-169.4	162.5	0	0	112.4	R245 R275 D281 F282 N285 L389	R245-E277 IonicContact NH1-OE2 3.37Å; R275-E277 HydrophobicContact CB-CG 4.21Å; R275-E277 PolarHBondContact O-N 3.26Å; E277-D281 HydrophobicContact CB-CB 3.92Å; E277-F282 HydrophobicContact CG-CB 4.43Å; E277-N285 PolarHBondContact OE2-ND2 3.06Å; E277-L389 HydrophobicContact CG-CD1 4.34Å
278	T	91.8	Very high	88.5	Confident	6 Å²	6	35.1 Å²	35.1	4%	0.037	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	170.4	168.5	66.8	0	0	0	0	111.3	L280 D281 F282 E385 C387 Y388	T278-L280 PolarHBondContact O-N 3.44Å; T278-L280 PolarHBondContact OG1-N 3.39Å; T278-D281 VanDerWaalsContact CB-OD2 3.27Å; T278-D281 WeakPolarHBondContact CB-OD2 3.42Å; T278-D281 VanDerWaalsContact CG2-OD2 3.31Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.27Å; T278-D281 PolarHBondContact N-OD2 2.97Å; T278-D281 PolarHBondContact O-N 3.15Å; T278-D281 PolarHBondContact OG1-N 3.16Å; T278-D281 PolarHBondContact OG1-OD2 3.1Å; T278-F282 WeakPolarHBondContact O-CB 3.39Å; T278-F282 PolarHBondContact O-N 3.3Å; T278-E385 WeakPolarHBondContact CG2-O 3.37Å; T278-C387 CarbonylContact C-O 3.39Å; T278-C387 WeakPolarHBondContact CA-O 3.47Å; T278-C387 WeakPolarHBondContact CB-O 3.35Å; T278-Y388 HydrophobicContact CG2-CD1 4.35Å; T278-Y388 HydrophobicContact CG2-CE1 4.19Å
279	V	93.5	Very high	87.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-35.5	170	-175.5	0	0	0	0	110.5	F282 M283 L303 V308 L362 P384 C387 L389	V279-F282 PolarHBondContact O-N 3.15Å; V279-M283 HydrophobicContact CG1-SD 4.19Å; V279-M283 VanDerWaalsContact O-CG 3.23Å; V279-M283 WeakPolarHBondContact O-CG 3.43Å; V279-M283 PolarHBondContact O-N 3.14Å; V279-L303 HydrophobicContact CG1-CD1 3.55Å; V279-L303 HydrophobicContact CG1-CD2 4.16Å; V279-V308 HydrophobicContact CG2-CB 4.45Å; V279-V308 HydrophobicContact CG2-CG1 3.59Å; V279-L362 HydrophobicContact CB-CD1 4.34Å; V279-L362 HydrophobicContact CG1-CD1 4.06Å; V279-L362 HydrophobicContact CG1-CD2 4.22Å; V279-L362 HydrophobicContact CG2-CD1 4.15Å; V279-P384 HydrophobicContact CB-CB 3.98Å; V279-P384 HydrophobicContact CG1-CB 4.09Å; V279-P384 PolarHBondContact N-O 3.16Å; V279-C387 HydrophobicContact CB-CB 4.42Å; V279-C387 HydrophobicContact CG2-CB 3.7Å; V279-C387 PolarHBondContact N-O 2.76Å; V279-L389 HydrophobicContact CG2-CD2 3.97Å; V279-L389 HydrophobicContact CG2-CG 4.11Å
280	L	94.2	Very high	87.1	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-46.2	176.1	-174.9	59.6	0	0	0	112.1	T278 F282 M283 F284 D356 Q359 P384 E385	T278-L280 PolarHBondContact O-N 3.44Å; T278-L280 PolarHBondContact OG1-N 3.39Å; L280-F282 VanDerWaalsContact C-N 3.29Å; L280-F282 PolarHBondContact O-N 2.65Å; L280-M283 WeakPolarHBondContact O-CB 3.39Å; L280-M283 PolarHBondContact O-N 3.13Å; L280-M283 VanDerWaalsContact O-N 3.08Å; L280-F284 HydrophobicContact CD1-CD2 4.01Å; L280-F284 HydrophobicContact CD1-CE2 3.62Å; L280-F284 HydrophobicContact CD1-CZ 4.41Å; L280-F284 HydrophobicContact CD2-CE2 4.05Å; L280-F284 HydrophobicContact CG-CD2 3.87Å; L280-F284 HydrophobicContact CG-CE2 3.64Å; L280-F284 WeakPolarHBondContact O-CD2 3.19Å; L280-F284 PolarHBondContact O-N 3.07Å; L280-D356 HydrophobicContact CD2-CB 3.78Å; L280-Q359 HydrophobicContact CD1-CB 3.76Å; L280-P384 HydrophobicContact CB-CB 3.99Å; L280-E385 HydrophobicContact CB-CB 4.3Å; L280-E385 HydrophobicContact CD2-CB 3.81Å; L280-E385 HydrophobicContact CD2-CG 4.12Å
281	D	91.8	Very high	86.5	Confident	69 Å²	69	48.3 Å²	48.3	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-41.9	176.5	-60.2	-49.8	0	0	0	111.4	E277 T278 M283 F284 N285	E277-D281 HydrophobicContact CB-CB 3.92Å; T278-D281 VanDerWaalsContact CB-OD2 3.27Å; T278-D281 WeakPolarHBondContact CB-OD2 3.42Å; T278-D281 VanDerWaalsContact CG2-OD2 3.31Å; T278-D281 WeakPolarHBondContact CG2-OD2 3.27Å; T278-D281 PolarHBondContact N-OD2 2.97Å; T278-D281 PolarHBondContact O-N 3.15Å; T278-D281 PolarHBondContact OG1-N 3.16Å; T278-D281 PolarHBondContact OG1-OD2 3.1Å; D281-M283 VanDerWaalsContact C-N 3.35Å; D281-F284 PolarHBondContact O-N 2.97Å; D281-N285 WeakPolarHBondContact O-CB 3.48Å; D281-N285 VanDerWaalsContact O-CG 3.24Å; D281-N285 PolarHBondContact O-N 3.23Å; D281-N285 PolarHBondContact O-ND2 2.94Å; D281-N285 VanDerWaalsContact O-ND2 3.1Å
282	F	89.4	Confident	85.9	Confident	24 Å²	24	54.4 Å²	54.4	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-45.1	173.7	172.3	-92.8	0	0	0	111.2	E277 T278 V279 L280 N285 F286 E302 L303 L389	E277-F282 HydrophobicContact CG-CB 4.43Å; T278-F282 WeakPolarHBondContact O-CB 3.39Å; T278-F282 PolarHBondContact O-N 3.3Å; V279-F282 PolarHBondContact O-N 3.15Å; L280-F282 VanDerWaalsContact C-N 3.29Å; L280-F282 PolarHBondContact O-N 2.65Å; F282-N285 PolarHBondContact O-N 2.91Å; F282-F286 HydrophobicContact CE1-CD2 4.23Å; F282-F286 HydrophobicContact CE2-CD2 4.25Å; F282-F286 AromaticContact CZ-CD2 3.76Å; F282-F286 HydrophobicContact CZ-CD2 3.76Å; F282-F286 HydrophobicContact CZ-CE2 4.21Å; F282-F286 WeakPolarHBondContact O-CB 3.46Å; F282-F286 PolarHBondContact O-N 3.12Å; F282-E302 HydrophobicContact CE1-CB 4.42Å; F282-E302 HydrophobicContact CZ-CB 4.06Å; F282-L303 HydrophobicContact CD1-CD1 4.5Å; F282-L303 HydrophobicContact CD1-CD2 3.81Å; F282-L303 HydrophobicContact CD1-CG 4.32Å; F282-L303 HydrophobicContact CE1-CD2 3.74Å; F282-L303 HydrophobicContact CE1-CG 4.02Å; F282-L389 HydrophobicContact CB-CD1 3.61Å; F282-L389 HydrophobicContact CD1-CD1 4.37Å; F282-L389 HydrophobicContact CD2-CD1 3.84Å; F282-L389 HydrophobicContact CG-CD1 3.67Å
283	M	91.3	Very high	85.6	Confident	7 Å²	7	60.7 Å²	60.7	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-44.9	177.7	-72.9	176.7	69.9	0	0	112	V279 L280 D281 F286 Y287 F295 V299 L303 W324 P360 P384	V279-M283 HydrophobicContact CG1-SD 4.19Å; V279-M283 VanDerWaalsContact O-CG 3.23Å; V279-M283 WeakPolarHBondContact O-CG 3.43Å; V279-M283 PolarHBondContact O-N 3.14Å; L280-M283 WeakPolarHBondContact O-CB 3.39Å; L280-M283 PolarHBondContact O-N 3.13Å; L280-M283 VanDerWaalsContact O-N 3.08Å; D281-M283 VanDerWaalsContact C-N 3.35Å; M283-F286 PolarHBondContact O-N 3.46Å; M283-Y287 PolarHBondContact O-N 3.4Å; M283-F295 HydrophobicContact CB-CZ 4.19Å; M283-F295 HydrophobicContact CE-CE1 4.44Å; M283-F295 HydrophobicContact CE-CZ 4.34Å; M283-F295 VanDerWaalsContact O-CE2 3.29Å; M283-F295 WeakPolarHBondContact O-CE2 3.42Å; M283-V299 HydrophobicContact CE-CG1 3.99Å; M283-V299 HydrophobicContact CG-CG1 3.89Å; M283-V299 HydrophobicContact SD-CG1 4.22Å; M283-L303 HydrophobicContact CG-CD1 4.22Å; M283-L303 HydrophobicContact SD-CD1 4.21Å; M283-W324 HydrophobicContact CE-CH2 3.6Å; M283-W324 HydrophobicContact CE-CZ3 3.69Å; M283-P360 HydrophobicContact CE-CG 3.42Å; M283-P360 VanDerWaalsContact CE-CG 3.42Å; M283-P360 HydrophobicContact SD-CG 4.36Å; M283-P384 HydrophobicContact SD-CB 4.44Å; M283-P384 HydrophobicContact SD-CG 4.43Å
284	F	90.3	Very high	85.4	Confident	96 Å²	96	64 Å²	64	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-46.8	173.3	-81	-63	0	0	0	112.5	L280 D281 F286 Y287 H288 D356	L280-F284 HydrophobicContact CD1-CD2 4.01Å; L280-F284 HydrophobicContact CD1-CE2 3.62Å; L280-F284 HydrophobicContact CD1-CZ 4.41Å; L280-F284 HydrophobicContact CD2-CE2 4.05Å; L280-F284 HydrophobicContact CG-CD2 3.87Å; L280-F284 HydrophobicContact CG-CE2 3.64Å; L280-F284 WeakPolarHBondContact O-CD2 3.19Å; L280-F284 PolarHBondContact O-N 3.07Å; D281-F284 PolarHBondContact O-N 2.97Å; F284-F286 PolarHBondContact O-N 3.44Å; F284-Y287 WeakPolarHBondContact O-CB 3.45Å; F284-Y287 PolarHBondContact O-N 3.45Å; F284-H288 PolarHBondContact O-CD2 3.48Å; F284-H288 PolarHBondContact O-N 2.86Å; F284-D356 WeakPolarHBondContact CZ-OD2 3.29Å
285	N	85.1	Confident	85.6	Confident	57 Å²	57	65 Å²	65	31%	0.305	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-35	176.1	-76.3	-38.1	0	0	0	112.1	R245 E277 D281 F282 Q289	R245-N285 PolarHBondContact NH1-ND2 3.23Å; E277-N285 PolarHBondContact OE2-ND2 3.06Å; D281-N285 WeakPolarHBondContact O-CB 3.48Å; D281-N285 VanDerWaalsContact O-CG 3.24Å; D281-N285 PolarHBondContact O-N 3.23Å; D281-N285 PolarHBondContact O-ND2 2.94Å; D281-N285 VanDerWaalsContact O-ND2 3.1Å; F282-N285 PolarHBondContact O-N 2.91Å; N285-Q289 WeakPolarHBondContact O-CG 3.34Å; N285-Q289 PolarHBondContact O-NE2 3.36Å
286	F	83.2	Confident	85.7	Confident	42 Å²	42	69.6 Å²	69.6	18%	0.184	33%	0.331	C	S	.	.	H	α-helix	trans	-78.3	-34.1	179.1	-145.9	-80.1	0	0	0	112.7	F282 M283 F284 Q289 T290 F295 Q298 V299 E302	F282-F286 HydrophobicContact CE1-CD2 4.23Å; F282-F286 HydrophobicContact CE2-CD2 4.25Å; F282-F286 AromaticContact CZ-CD2 3.76Å; F282-F286 HydrophobicContact CZ-CD2 3.76Å; F282-F286 HydrophobicContact CZ-CE2 4.21Å; F282-F286 WeakPolarHBondContact O-CB 3.46Å; F282-F286 PolarHBondContact O-N 3.12Å; M283-F286 PolarHBondContact O-N 3.46Å; F284-F286 PolarHBondContact O-N 3.44Å; F286-Q289 PolarHBondContact O-N 2.89Å; F286-Q289 VanDerWaalsContact O-N 3.1Å; F286-T290 WeakPolarHBondContact CD1-OG1 3.31Å; F286-T290 WeakPolarHBondContact CE1-OG1 3.3Å; F286-T290 WeakPolarHBondContact O-CB 3.31Å; F286-T290 PolarHBondContact O-N 3.05Å; F286-T290 PolarHBondContact O-OG1 3.41Å; F286-F295 HydrophobicContact CB-CE2 4.31Å; F286-Q298 HydrophobicContact CD1-CB 4.4Å; F286-Q298 HydrophobicContact CE1-CB 3.48Å; F286-Q298 VanDerWaalsContact CE1-CB 3.48Å; F286-Q298 HydrophobicContact CE1-CG 4.32Å; F286-Q298 HydrophobicContact CZ-CB 4.02Å; F286-V299 HydrophobicContact CB-CG2 4.38Å; F286-V299 HydrophobicContact CD1-CG2 4.21Å; F286-V299 HydrophobicContact CG-CG2 4.39Å; F286-E302 HydrophobicContact CE2-CG 4.15Å; F286-E302 HydrophobicContact CZ-CG 4.31Å
287	Y	85	Confident	86	Confident	98 Å²	98	72.8 Å²	72.8	38%	0.384	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176.3	-170.8	-95.1	0	0	0	111.1	M283 F284 Q289 T290 E292 F295	M283-Y287 PolarHBondContact O-N 3.4Å; F284-Y287 WeakPolarHBondContact O-CB 3.45Å; F284-Y287 PolarHBondContact O-N 3.45Å; Y287-Q289 PolarHBondContact O-N 2.88Å; Y287-Q289 VanDerWaalsContact O-N 3.1Å; Y287-T290 PolarHBondContact O-N 2.73Å; Y287-E292 HydrophobicContact CE2-CG 4.38Å; Y287-F295 HydrophobicContact CD2-CB 4.45Å; Y287-F295 AromaticContact CD2-CD1 3.92Å; Y287-F295 HydrophobicContact CD2-CD1 3.92Å; Y287-F295 AromaticContact CD2-CD2 3.8Å; Y287-F295 HydrophobicContact CD2-CD2 3.8Å; Y287-F295 HydrophobicContact CD2-CE1 4.03Å; Y287-F295 AromaticContact CD2-CE2 3.92Å; Y287-F295 HydrophobicContact CD2-CE2 3.92Å; Y287-F295 AromaticContact CD2-CG 3.78Å; Y287-F295 HydrophobicContact CD2-CG 3.78Å; Y287-F295 HydrophobicContact CD2-CZ 4.02Å; Y287-F295 HydrophobicContact CE2-CD1 4.45Å; Y287-F295 HydrophobicContact CE2-CG 4.45Å; Y287-F295 HydrophobicContact CG-CD2 4.39Å; Y287-F295 HydrophobicContact CG-CE2 4.28Å
288	H	80.2	Confident	85.9	Confident	152 Å²	152	73.5 Å²	73.5	70%	0.704	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.1	176.4	-65	-59.6	0	0	0	114.9	F284	F284-H288 PolarHBondContact O-CD2 3.48Å; F284-H288 PolarHBondContact O-N 2.86Å
289	Q	79.3	Confident	85.8	Confident	154 Å²	154	73.2 Å²	73.2	72%	0.72	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-3.1	-177.7	-68.8	174.3	53.4	0	0	113.4	N285 F286 Y287	N285-Q289 WeakPolarHBondContact O-CG 3.34Å; N285-Q289 PolarHBondContact O-NE2 3.36Å; F286-Q289 PolarHBondContact O-N 2.89Å; F286-Q289 VanDerWaalsContact O-N 3.1Å; Y287-Q289 PolarHBondContact O-N 2.88Å; Y287-Q289 VanDerWaalsContact O-N 3.1Å
290	T	78.8	Confident	85.6	Confident	35 Å²	35	74.3 Å²	74.3	22%	0.215	35%	0.349	C	S	.	.	S	Bend	trans	-132.8	145.6	-169	-46.7	0	0	0	0	110.8	F286 Y287 K294 Q298	F286-T290 WeakPolarHBondContact CD1-OG1 3.31Å; F286-T290 WeakPolarHBondContact CE1-OG1 3.3Å; F286-T290 WeakPolarHBondContact O-CB 3.31Å; F286-T290 PolarHBondContact O-N 3.05Å; F286-T290 PolarHBondContact O-OG1 3.41Å; Y287-T290 PolarHBondContact O-N 2.73Å; T290-K294 HydrophobicContact CG2-CB 4Å; T290-Q298 HydrophobicContact CG2-CG 4.21Å
291	E	80.7	Confident	85.2	Confident	113 Å²	113	80.2 Å²	80.2	53%	0.528	37%	0.374	S	S	.	.			trans	-63.4	134.3	169.7	-62.7	167.4	169.9	0	0	110.2	H293 K294 F295	E291-H293 VanDerWaalsContact C-N 3.3Å; E291-H293 PolarHBondContact O-N 3.18Å; E291-H293 VanDerWaalsContact O-N 3.15Å; E291-H293 IonicContact OE2-CE1 2.76Å; E291-H293 PolarHBondContact OE2-CE1 3.19Å; E291-H293 IonicContact OE2-NE2 3.8Å; E291-K294 PolarHBondContact O-N 3.03Å; E291-K294 IonicContact OE2-NZ 2.91Å; E291-K294 PolarHBondContact OE2-NZ 2.92Å; E291-F295 PolarHBondContact O-N 3.01Å
292	E	77.1	Confident	84.9	Confident	148 Å²	148	81.1 Å²	81.1	69%	0.692	38%	0.376	S	S	*	.	H	α-helix	trans	-50.1	-45.4	-171.3	-171.9	174.8	-177.9	0	0	113.3	Y287 K294 F295	Y287-E292 HydrophobicContact CE2-CG 4.38Å; E292-K294 PolarHBondContact O-N 2.79Å; E292-K294 VanDerWaalsContact O-N 3.14Å; E292-F295 VanDerWaalsContact O-CB 3.29Å; E292-F295 WeakPolarHBondContact O-CB 3.25Å; E292-F295 PolarHBondContact O-N 3.19Å; E292-F295 VanDerWaalsContact O-N 3.12Å
293	H	79.3	Confident	84.9	Confident	145 Å²	145	80 Å²	80	67%	0.671	37%	0.371	S	S	*	.	H	α-helix	trans	-65.6	-14.6	179.5	72.2	-84.8	0	0	0	115.2	E291	E291-H293 VanDerWaalsContact C-N 3.3Å; E291-H293 PolarHBondContact O-N 3.18Å; E291-H293 VanDerWaalsContact O-N 3.15Å; E291-H293 IonicContact OE2-CE1 2.76Å; E291-H293 PolarHBondContact OE2-CE1 3.19Å; E291-H293 IonicContact OE2-NE2 3.8Å
294	K	84.6	Confident	84.8	Confident	78 Å²	78	82.9 Å²	82.9	34%	0.339	39%	0.386	S	S	.	.	H	α-helix	trans	-104.4	-7.6	176.4	-74	167.8	-173.6	138.9	0	113	T290 E291 E292 Q296 E297 Q298	T290-K294 HydrophobicContact CG2-CB 4Å; E291-K294 PolarHBondContact O-N 3.03Å; E291-K294 IonicContact OE2-NZ 2.91Å; E291-K294 PolarHBondContact OE2-NZ 2.92Å; E292-K294 PolarHBondContact O-N 2.79Å; E292-K294 VanDerWaalsContact O-N 3.14Å; K294-Q296 PolarHBondContact O-N 3.04Å; K294-E297 PolarHBondContact O-N 2.92Å; K294-Q298 HydrophobicContact CB-CG 4.48Å; K294-Q298 WeakPolarHBondContact O-CG 3.3Å; K294-Q298 PolarHBondContact O-N 3.22Å
295	F	87.8	Confident	84.3	Confident	26 Å²	26	79.2 Å²	79.2	11%	0.114	38%	0.375	C	S	.	.	H	α-helix	trans	-57.3	-52.6	-172.2	175.8	-112.2	0	0	0	112.6	M283 F286 Y287 E291 E292 E297 Q298 V299 W324	M283-F295 HydrophobicContact CB-CZ 4.19Å; M283-F295 HydrophobicContact CE-CE1 4.44Å; M283-F295 HydrophobicContact CE-CZ 4.34Å; M283-F295 VanDerWaalsContact O-CE2 3.29Å; M283-F295 WeakPolarHBondContact O-CE2 3.42Å; F286-F295 HydrophobicContact CB-CE2 4.31Å; Y287-F295 HydrophobicContact CD2-CB 4.45Å; Y287-F295 AromaticContact CD2-CD1 3.92Å; Y287-F295 HydrophobicContact CD2-CD1 3.92Å; Y287-F295 AromaticContact CD2-CD2 3.8Å; Y287-F295 HydrophobicContact CD2-CD2 3.8Å; Y287-F295 HydrophobicContact CD2-CE1 4.03Å; Y287-F295 AromaticContact CD2-CE2 3.92Å; Y287-F295 HydrophobicContact CD2-CE2 3.92Å; Y287-F295 AromaticContact CD2-CG 3.78Å; Y287-F295 HydrophobicContact CD2-CG 3.78Å; Y287-F295 HydrophobicContact CD2-CZ 4.02Å; Y287-F295 HydrophobicContact CE2-CD1 4.45Å; Y287-F295 HydrophobicContact CE2-CG 4.45Å; Y287-F295 HydrophobicContact CG-CD2 4.39Å; Y287-F295 HydrophobicContact CG-CE2 4.28Å; E291-F295 PolarHBondContact O-N 3.01Å; E292-F295 VanDerWaalsContact O-CB 3.29Å; E292-F295 WeakPolarHBondContact O-CB 3.25Å; E292-F295 PolarHBondContact O-N 3.19Å; E292-F295 VanDerWaalsContact O-N 3.12Å; F295-E297 PolarHBondContact O-N 3.41Å; F295-Q298 PolarHBondContact O-N 2.86Å; F295-V299 HydrophobicContact CD2-CG2 3.77Å; F295-V299 HydrophobicContact CE1-CG2 4.37Å; F295-V299 HydrophobicContact CE2-CG2 3.4Å; F295-V299 VanDerWaalsContact CE2-CG2 3.4Å; F295-V299 HydrophobicContact CG-CG2 4.39Å; F295-V299 HydrophobicContact CZ-CG2 3.76Å; F295-V299 WeakPolarHBondContact O-CB 3.26Å; F295-V299 WeakPolarHBondContact O-CG2 3.38Å; F295-V299 PolarHBondContact O-N 2.96Å; F295-W324 HydrophobicContact CD1-CH2 4.39Å; F295-W324 HydrophobicContact CD1-CZ3 4.38Å; F295-W324 HydrophobicContact CE1-CH2 4.06Å; F295-W324 AromaticContact CE1-CZ3 3.96Å; F295-W324 HydrophobicContact CE1-CZ3 3.96Å
296	Q	89	Confident	84.3	Confident	107 Å²	107	78.9 Å²	78.9	50%	0.5	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-42.1	-178.9	-65.2	-175.7	-14.5	0	0	112.4	K294 S300 W324	K294-Q296 PolarHBondContact O-N 3.04Å; Q296-S300 VanDerWaalsContact O-CB 3.23Å; Q296-S300 WeakPolarHBondContact O-CB 3.49Å; Q296-S300 PolarHBondContact O-N 2.94Å; Q296-S300 PolarHBondContact O-OG 2.85Å; Q296-W324 HydrophobicContact CB-CD2 4.37Å; Q296-W324 HydrophobicContact CB-CH2 4.26Å; Q296-W324 HydrophobicContact CB-CZ2 3.9Å; Q296-W324 HydrophobicContact CG-CD2 3.85Å; Q296-W324 HydrophobicContact CG-CE3 3.84Å; Q296-W324 HydrophobicContact CG-CH2 4.01Å; Q296-W324 HydrophobicContact CG-CZ2 4.03Å; Q296-W324 HydrophobicContact CG-CZ3 3.92Å
297	E	86.6	Confident	84.5	Confident	124 Å²	124	78.3 Å²	78.3	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-63.4	-49.2	178.9	-167.3	-155.8	151.5	0	0	111.4	K294 F295 S300 K301	K294-E297 PolarHBondContact O-N 2.92Å; F295-E297 PolarHBondContact O-N 3.41Å; E297-S300 PolarHBondContact O-N 3.35Å; E297-K301 VanDerWaalsContact O-CB 3.28Å; E297-K301 WeakPolarHBondContact O-CB 3.44Å; E297-K301 PolarHBondContact O-N 3.23Å
298	Q	85.5	Confident	84.7	Confident	48 Å²	48	73.7 Å²	73.7	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-69.7	-40.3	-178.1	-61.3	-55.4	-45.8	0	0	112.2	F286 T290 K294 F295 K301 E302	F286-Q298 HydrophobicContact CD1-CB 4.4Å; F286-Q298 HydrophobicContact CE1-CB 3.48Å; F286-Q298 VanDerWaalsContact CE1-CB 3.48Å; F286-Q298 HydrophobicContact CE1-CG 4.32Å; F286-Q298 HydrophobicContact CZ-CB 4.02Å; T290-Q298 HydrophobicContact CG2-CG 4.21Å; K294-Q298 HydrophobicContact CB-CG 4.48Å; K294-Q298 WeakPolarHBondContact O-CG 3.3Å; K294-Q298 PolarHBondContact O-N 3.22Å; F295-Q298 PolarHBondContact O-N 2.86Å; Q298-K301 PolarHBondContact O-N 2.83Å; Q298-E302 PolarHBondContact O-N 3.06Å
299	V	89.8	Confident	85.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-45.4	175.7	168.9	0	0	0	0	110.8	M283 F286 F295 K301 E302 L303 I322 W324	M283-V299 HydrophobicContact CE-CG1 3.99Å; M283-V299 HydrophobicContact CG-CG1 3.89Å; M283-V299 HydrophobicContact SD-CG1 4.22Å; F286-V299 HydrophobicContact CB-CG2 4.38Å; F286-V299 HydrophobicContact CD1-CG2 4.21Å; F286-V299 HydrophobicContact CG-CG2 4.39Å; F295-V299 HydrophobicContact CD2-CG2 3.77Å; F295-V299 HydrophobicContact CE1-CG2 4.37Å; F295-V299 HydrophobicContact CE2-CG2 3.4Å; F295-V299 VanDerWaalsContact CE2-CG2 3.4Å; F295-V299 HydrophobicContact CG-CG2 4.39Å; F295-V299 HydrophobicContact CZ-CG2 3.76Å; F295-V299 WeakPolarHBondContact O-CB 3.26Å; F295-V299 WeakPolarHBondContact O-CG2 3.38Å; F295-V299 PolarHBondContact O-N 2.96Å; V299-K301 VanDerWaalsContact C-N 3.29Å; V299-K301 PolarHBondContact O-N 2.67Å; V299-E302 PolarHBondContact O-N 3.1Å; V299-L303 HydrophobicContact CG1-CD1 3.58Å; V299-L303 HydrophobicContact CG1-CG 4.15Å; V299-L303 WeakPolarHBondContact O-CB 3.45Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.05Å; V299-I322 HydrophobicContact CG1-CD1 3.98Å; V299-W324 HydrophobicContact CB-CH2 4.11Å; V299-W324 HydrophobicContact CB-CZ2 4.3Å; V299-W324 HydrophobicContact CG1-CH2 3.9Å; V299-W324 HydrophobicContact CG1-CZ2 4.12Å
300	S	89.6	Confident	85.6	Confident	23 Å²	23	59.1 Å²	59.1	16%	0.161	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-41.9	176.6	-58.4	0	0	0	0	111.2	Q296 E297 E302 I304	Q296-S300 VanDerWaalsContact O-CB 3.23Å; Q296-S300 WeakPolarHBondContact O-CB 3.49Å; Q296-S300 PolarHBondContact O-N 2.94Å; Q296-S300 PolarHBondContact O-OG 2.85Å; E297-S300 PolarHBondContact O-N 3.35Å; S300-E302 PolarHBondContact O-N 3.5Å; S300-I304 WeakPolarHBondContact O-CB 3.41Å; S300-I304 WeakPolarHBondContact O-CG1 3.45Å; S300-I304 PolarHBondContact O-N 3.44Å
301	K	85.6	Confident	86	Confident	139 Å²	139	60.8 Å²	60.8	60%	0.604	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-34.8	178	-178.6	-178.2	175.1	-173	0	114.3	E297 Q298 V299	E297-K301 VanDerWaalsContact O-CB 3.28Å; E297-K301 WeakPolarHBondContact O-CB 3.44Å; E297-K301 PolarHBondContact O-N 3.23Å; Q298-K301 PolarHBondContact O-N 2.83Å; V299-K301 VanDerWaalsContact C-N 3.29Å; V299-K301 PolarHBondContact O-N 2.67Å
302	E	85.3	Confident	86.1	Confident	88 Å²	88	57.1 Å²	57.1	41%	0.411	27%	0.273	S	S	.	.	H	α-helix	trans	-84.9	-30.6	178.1	-71.8	-68.5	139.4	0	0	113	F282 F286 Q298 V299 S300 L306	F282-E302 HydrophobicContact CE1-CB 4.42Å; F282-E302 HydrophobicContact CZ-CB 4.06Å; F286-E302 HydrophobicContact CE2-CG 4.15Å; F286-E302 HydrophobicContact CZ-CG 4.31Å; Q298-E302 PolarHBondContact O-N 3.06Å; V299-E302 PolarHBondContact O-N 3.1Å; S300-E302 PolarHBondContact O-N 3.5Å; E302-L306 WeakPolarHBondContact O-CD1 3.43Å; E302-L306 VanDerWaalsContact O-CG 3.31Å; E302-L306 WeakPolarHBondContact O-CG 3.46Å
303	L	88.7	Confident	86.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-92.7	-36.8	-177.1	-67.8	-175.3	0	0	0	114.5	V279 F282 M283 V299 G305 L306 I322 L389	V279-L303 HydrophobicContact CG1-CD1 3.55Å; V279-L303 HydrophobicContact CG1-CD2 4.16Å; F282-L303 HydrophobicContact CD1-CD1 4.5Å; F282-L303 HydrophobicContact CD1-CD2 3.81Å; F282-L303 HydrophobicContact CD1-CG 4.32Å; F282-L303 HydrophobicContact CE1-CD2 3.74Å; F282-L303 HydrophobicContact CE1-CG 4.02Å; M283-L303 HydrophobicContact CG-CD1 4.22Å; M283-L303 HydrophobicContact SD-CD1 4.21Å; V299-L303 HydrophobicContact CG1-CD1 3.58Å; V299-L303 HydrophobicContact CG1-CG 4.15Å; V299-L303 WeakPolarHBondContact O-CB 3.45Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 3.05Å; L303-G305 PolarHBondContact O-N 2.9Å; L303-L306 HydrophobicContact CD2-CD1 4.22Å; L303-L306 VanDerWaalsContact O-CB 3.26Å; L303-L306 WeakPolarHBondContact O-CB 3.36Å; L303-L306 PolarHBondContact O-N 2.94Å; L303-I322 HydrophobicContact CB-CD1 4.13Å; L303-I322 HydrophobicContact CD1-CD1 3.88Å; L303-L389 HydrophobicContact CD2-CD2 3.78Å
304	I	88.9	Confident	86.3	Confident	67 Å²	67	46.2 Å²	46.2	34%	0.344	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	128.2	-175.7	-67.1	172.4	0	0	0	110.3	S300 V319 D320	S300-I304 WeakPolarHBondContact O-CB 3.41Å; S300-I304 WeakPolarHBondContact O-CG1 3.45Å; S300-I304 PolarHBondContact O-N 3.44Å; I304-V319 HydrophobicContact CG1-CG1 4.44Å; I304-D320 WeakPolarHBondContact CG2-O 3.48Å
305	G	81.3	Confident	86.2	Confident	19 Å²	19	47.5 Å²	47.5	20%	0.196	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-10.5	-173.4	0	0	0	0	0	114.7	L303 V319	L303-G305 PolarHBondContact O-N 2.9Å; G305-V319 WeakPolarHBondContact CA-O 3.19Å; G305-V319 PolarHBondContact N-O 2.95Å
306	L	85	Confident	86	Confident	50 Å²	50	47.6 Å²	47.6	26%	0.262	23%	0.233	S	C	.	.			trans	-71.1	162.4	170.1	-64.1	-168.5	0	0	0	111.7	E302 L303 R318 V319 L389	E302-L306 WeakPolarHBondContact O-CD1 3.43Å; E302-L306 VanDerWaalsContact O-CG 3.31Å; E302-L306 WeakPolarHBondContact O-CG 3.46Å; L303-L306 HydrophobicContact CD2-CD1 4.22Å; L303-L306 VanDerWaalsContact O-CB 3.26Å; L303-L306 WeakPolarHBondContact O-CB 3.36Å; L303-L306 PolarHBondContact O-N 2.94Å; L306-R318 CarbonylContact O-C 3.52Å; L306-R318 WeakPolarHBondContact O-CA 3.49Å; L306-V319 PolarHBondContact O-N 3.1Å; L306-L389 HydrophobicContact CD1-CD2 4.04Å
307	V	85.9	Confident	85.9	Confident	30 Å²	30	44.8 Å²	44.8	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.2	173.3	176.5	0	0	0	0	109.5	E78 T316 Y317 T390	E78-V307 WeakPolarHBondContact OE2-CG1 3.34Å; V307-T316 HydrophobicContact CG1-CG2 3.95Å; V307-Y317 CarbonylContact C-O 3.56Å; V307-Y317 WeakPolarHBondContact CA-O 3.34Å; V307-T390 WeakPolarHBondContact O-CB 3.48Å; V307-T390 PolarHBondContact O-N 3.23Å; V307-T390 PolarHBondContact O-OG1 2.94Å
308	V	90.1	Very high	86	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.1	174.4	-62.9	0	0	0	0	110.9	V279 T316 Y317 V319 L382 C387 Y388 L389	V279-V308 HydrophobicContact CG2-CB 4.45Å; V279-V308 HydrophobicContact CG2-CG1 3.59Å; V308-T316 VanDerWaalsContact O-CA 3.26Å; V308-T316 WeakPolarHBondContact O-CA 3.47Å; V308-Y317 PolarHBondContact N-O 3.15Å; V308-Y317 PolarHBondContact O-N 3.1Å; V308-V319 HydrophobicContact CG1-CG2 3.8Å; V308-V319 HydrophobicContact CG2-CG2 4.14Å; V308-L382 HydrophobicContact CG2-CD1 4.23Å; V308-C387 HydrophobicContact CB-CB 4.09Å; V308-C387 HydrophobicContact CG2-CB 4.37Å; V308-Y388 CarbonylContact C-O 3.57Å; V308-Y388 VanDerWaalsContact CA-O 3.29Å; V308-Y388 WeakPolarHBondContact CA-O 3.4Å; V308-L389 HydrophobicContact CG1-CD2 4.34Å
309	L	89	Confident	86.2	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.9	174.6	179.6	73.5	0	0	0	109.3	I228 W249 L274 N314 K315 T316 C387 Y388 T390	I228-L309 HydrophobicContact CD1-CD1 4.07Å; I228-L309 HydrophobicContact CD1-CD2 4.26Å; I228-L309 HydrophobicContact CG1-CD1 4.35Å; W249-L309 HydrophobicContact CH2-CD2 4.11Å; W249-L309 HydrophobicContact CZ3-CD2 3.98Å; L274-L309 HydrophobicContact CD1-CD2 3.81Å; L274-L309 HydrophobicContact CD2-CD2 3.72Å; L274-L309 HydrophobicContact CG-CD2 4.45Å; L309-N314 VanDerWaalsContact CD1-C 3.49Å; L309-N314 HydrophobicContact CD1-CB 4.4Å; L309-N314 WeakPolarHBondContact CD1-O 3.18Å; L309-K315 WeakPolarHBondContact CA-O 3.38Å; L309-T316 HydrophobicContact CD1-CG2 3.89Å; L309-C387 WeakPolarHBondContact O-CA 3.32Å; L309-Y388 PolarHBondContact N-O 2.86Å; L309-Y388 PolarHBondContact O-N 3.01Å; L309-T390 HydrophobicContact CB-CG2 3.58Å
310	T	89.4	Confident	86.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.8	179.6	40.6	0	0	0	0	112.1	Y312 N313 N314 K315 Y317 L382 L386	T310-Y312 HydrophobicContact CG2-CE1 3.76Å; T310-Y312 WeakPolarHBondContact CG2-OH 3.31Å; T310-Y312 PolarHBondContact O-N 3.15Å; T310-Y312 VanDerWaalsContact O-N 3.13Å; T310-N313 PolarHBondContact O-N 3.07Å; T310-N313 PolarHBondContact OG1-OD1 3.42Å; T310-N314 PolarHBondContact O-N 3.12Å; T310-K315 PolarHBondContact N-O 3.18Å; T310-K315 PolarHBondContact OG1-O 3.08Å; T310-Y317 HydrophobicContact CG2-CD2 3.87Å; T310-Y317 HydrophobicContact CG2-CE2 3.82Å; T310-L382 HydrophobicContact CG2-CD2 4.19Å; T310-L386 WeakPolarHBondContact CA-O 3.46Å
311	K	86.4	Confident	86.3	Confident	70 Å²	70	44.7 Å²	44.7	30%	0.304	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-41.3	-174.7	-70	-179.2	178.2	168.5	0	113.8	E385 L386 Y388	K311-E385 WeakPolarHBondContact CE-O 3.4Å; K311-E385 PolarHBondContact NZ-O 3.26Å; K311-L386 PolarHBondContact N-O 2.75Å; K311-Y388 HydrophobicContact CD-CE2 4.17Å; K311-Y388 HydrophobicContact CG-CD2 3.83Å; K311-Y388 HydrophobicContact CG-CE2 3.55Å
312	Y	82.4	Confident	86.7	Confident	36 Å²	36	38.4 Å²	38.4	14%	0.141	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-9.4	-167.8	54.4	-92.7	0	0	0	115.2	T310 Y346 Y350 L386	T310-Y312 HydrophobicContact CG2-CE1 3.76Å; T310-Y312 WeakPolarHBondContact CG2-OH 3.31Å; T310-Y312 PolarHBondContact O-N 3.15Å; T310-Y312 VanDerWaalsContact O-N 3.13Å; Y312-Y346 HydrophobicContact CD1-CD1 4.44Å; Y312-Y346 HydrophobicContact CD1-CE1 4.24Å; Y312-Y346 HydrophobicContact CE1-CD1 4.2Å; Y312-Y346 AromaticContact CE1-CE1 3.58Å; Y312-Y346 HydrophobicContact CE1-CE1 3.58Å; Y312-Y346 AromaticContact CE2-CE1 3.95Å; Y312-Y346 HydrophobicContact CE2-CE1 3.95Å; Y312-Y346 AromaticContact CZ-CE1 3.43Å; Y312-Y346 VanDerWaalsContact CZ-CE1 3.43Å; Y312-Y346 PolarHBondContact OH-OH 2.84Å; Y312-Y350 AromaticContact CD2-CD1 3.61Å; Y312-Y350 HydrophobicContact CD2-CD1 3.61Å; Y312-Y350 AromaticContact CD2-CD2 3.64Å; Y312-Y350 HydrophobicContact CD2-CD2 3.64Å; Y312-Y350 AromaticContact CD2-CE1 3.72Å; Y312-Y350 HydrophobicContact CD2-CE1 3.72Å; Y312-Y350 AromaticContact CD2-CE2 3.7Å; Y312-Y350 HydrophobicContact CD2-CE2 3.7Å; Y312-Y350 AromaticContact CD2-CG 3.58Å; Y312-Y350 HydrophobicContact CD2-CG 3.58Å; Y312-Y350 AromaticContact CD2-CZ 3.75Å; Y312-Y350 HydrophobicContact CE2-CD1 4.44Å; Y312-Y350 AromaticContact CE2-CD2 3.92Å; Y312-Y350 HydrophobicContact CE2-CD2 3.92Å; Y312-Y350 HydrophobicContact CE2-CE1 4.19Å; Y312-Y350 AromaticContact CE2-CE2 3.59Å; Y312-Y350 HydrophobicContact CE2-CE2 3.59Å; Y312-Y350 HydrophobicContact CE2-CG 4.32Å; Y312-Y350 AromaticContact CE2-CZ 3.75Å; Y312-Y350 HydrophobicContact CG-CD1 4.33Å; Y312-Y350 HydrophobicContact CG-CD2 4.27Å; Y312-Y350 HydrophobicContact CG-CG 4.05Å; Y312-L386 HydrophobicContact CD1-CB 4.08Å; Y312-L386 HydrophobicContact CD1-CD1 4.31Å; Y312-L386 HydrophobicContact CE1-CB 4.01Å; Y312-L386 HydrophobicContact CE1-CD1 4.38Å
313	N	80.8	Confident	87.1	Confident	38 Å²	38	36 Å²	36	20%	0.203	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.2	7.1	-179.2	69.6	16.1	0	0	0	115.6	T310 K315	T310-N313 PolarHBondContact O-N 3.07Å; T310-N313 PolarHBondContact OG1-OD1 3.42Å; N313-K315 PolarHBondContact O-N 3.22Å; N313-K315 VanDerWaalsContact O-N 3.08Å; N313-K315 WeakPolarHBondContact OD1-CB 3.26Å; N313-K315 WeakPolarHBondContact OD1-CG 3.43Å; N313-K315 PolarHBondContact OD1-N 3.07Å; N313-K315 VanDerWaalsContact OD1-N 3.11Å
314	N	79.9	Confident	87.4	Confident	25 Å²	25	39 Å²	39	13%	0.134	19%	0.191	C	C	.	.			trans	54.6	24.1	178.3	-60.7	-49.3	0	0	0	115.5	Q226 L309 T310	Q226-N314 HydrophobicContact CB-CB 4.5Å; Q226-N314 WeakPolarHBondContact CG-ND2 3.15Å; Q226-N314 PolarHBondContact OE1-ND2 3.5Å; L309-N314 VanDerWaalsContact CD1-C 3.49Å; L309-N314 HydrophobicContact CD1-CB 4.4Å; L309-N314 WeakPolarHBondContact CD1-O 3.18Å; T310-N314 PolarHBondContact O-N 3.12Å
315	K	82.4	Confident	87.6	Confident	106 Å²	106	43.2 Å²	43.2	46%	0.461	21%	0.214	S	C	.	.			trans	-82.2	144.3	172.2	-68.5	179	-174.1	168.7	0	110.7	L309 T310 N313 Y317	L309-K315 WeakPolarHBondContact CA-O 3.38Å; T310-K315 PolarHBondContact N-O 3.18Å; T310-K315 PolarHBondContact OG1-O 3.08Å; N313-K315 PolarHBondContact O-N 3.22Å; N313-K315 VanDerWaalsContact O-N 3.08Å; N313-K315 WeakPolarHBondContact OD1-CB 3.26Å; N313-K315 WeakPolarHBondContact OD1-CG 3.43Å; N313-K315 PolarHBondContact OD1-N 3.07Å; N313-K315 VanDerWaalsContact OD1-N 3.11Å; K315-Y317 HydrophobicContact CB-CD2 4.25Å; K315-Y317 HydrophobicContact CB-CE2 3.53Å; K315-Y317 HydrophobicContact CD-CE2 4.28Å; K315-Y317 WeakPolarHBondContact CD-OH 3.29Å
316	T	84.6	Confident	88.3	Confident	27 Å²	27	44.9 Å²	44.9	17%	0.166	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.7	168.3	58.6	0	0	0	0	111.4	E78 I228 V307 V308 L309	E78-T316 VanDerWaalsContact OE2-CB 3.31Å; E78-T316 WeakPolarHBondContact OE2-CB 3.35Å; E78-T316 PolarHBondContact OE2-OG1 3.04Å; I228-T316 HydrophobicContact CG2-CG2 3.74Å; V307-T316 HydrophobicContact CG1-CG2 3.95Å; V308-T316 VanDerWaalsContact O-CA 3.26Å; V308-T316 WeakPolarHBondContact O-CA 3.47Å; L309-T316 HydrophobicContact CD1-CG2 3.89Å
317	Y	87.2	Confident	88.8	Confident	48 Å²	48	44.7 Å²	44.7	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.5	176.6	-64.8	-91.4	0	0	0	108.7	V307 V308 T310 K315 A380 L382	V307-Y317 CarbonylContact C-O 3.56Å; V307-Y317 WeakPolarHBondContact CA-O 3.34Å; V308-Y317 PolarHBondContact N-O 3.15Å; V308-Y317 PolarHBondContact O-N 3.1Å; T310-Y317 HydrophobicContact CG2-CD2 3.87Å; T310-Y317 HydrophobicContact CG2-CE2 3.82Å; K315-Y317 HydrophobicContact CB-CD2 4.25Å; K315-Y317 HydrophobicContact CB-CE2 3.53Å; K315-Y317 HydrophobicContact CD-CE2 4.28Å; K315-Y317 WeakPolarHBondContact CD-OH 3.29Å; Y317-A380 HydrophobicContact CD1-CB 4.16Å; Y317-A380 HydrophobicContact CE1-CB 3.87Å; Y317-L382 VanDerWaalsContact CB-CD1 3.49Å; Y317-L382 HydrophobicContact CD1-CD1 4.06Å; Y317-L382 HydrophobicContact CD2-CD1 3.73Å; Y317-L382 HydrophobicContact CD2-CD2 4.19Å; Y317-L382 HydrophobicContact CE1-CD2 4.4Å; Y317-L382 HydrophobicContact CE2-CD1 4.45Å; Y317-L382 HydrophobicContact CE2-CD2 4.08Å; Y317-L382 HydrophobicContact CG-CD1 3.51Å; Y317-L382 HydrophobicContact CG-CD2 4.41Å
318	R	87.4	Confident	89.2	Confident	59 Å²	59	43.3 Å²	43.3	22%	0.223	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.7	167.5	173.6	177.5	157.5	117.9	6.4	107.8	L306 D320 S364	L306-R318 CarbonylContact O-C 3.52Å; L306-R318 WeakPolarHBondContact O-CA 3.49Å; R318-D320 WeakPolarHBondContact CD-OD1 3.2Å; R318-D320 IonicContact CZ-OD1 4Å; R318-D320 IonicContact NE-OD1 3.63Å; R318-D320 PolarHBondContact NE-OD1 2.94Å; R318-D320 IonicContact NH2-OD1 3.93Å; R318-D320 PolarHBondContact O-N 2.94Å; R318-S364 WeakPolarHBondContact O-CA 3.2Å; R318-S364 WeakPolarHBondContact O-CB 3.41Å; R318-S364 PolarHBondContact O-OG 2.92Å
319	V	90.3	Very high	89.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	24%	0.235	C	C	.	.			trans	-70.4	116.7	168.5	-177.1	0	0	0	0	106.5	I304 G305 L306 V308 D321 I322 L362	I304-V319 HydrophobicContact CG1-CG1 4.44Å; G305-V319 WeakPolarHBondContact CA-O 3.19Å; G305-V319 PolarHBondContact N-O 2.95Å; L306-V319 PolarHBondContact O-N 3.1Å; V308-V319 HydrophobicContact CG1-CG2 3.8Å; V308-V319 HydrophobicContact CG2-CG2 4.14Å; V319-D321 WeakPolarHBondContact CG1-O 3.46Å; V319-I322 HydrophobicContact CG1-CG1 4.3Å; V319-L362 HydrophobicContact CG1-CD2 4.43Å; V319-L362 HydrophobicContact CG2-CD1 4.24Å
320	D	88.9	Confident	89.8	Confident	45 Å²	45	51 Å²	51	24%	0.241	25%	0.245	C	C	.	.			trans	-104.4	-24.4	176.6	-69.4	-57.8	0	0	0	111.4	I304 R318 V363 Q365	I304-D320 WeakPolarHBondContact CG2-O 3.48Å; R318-D320 WeakPolarHBondContact CD-OD1 3.2Å; R318-D320 IonicContact CZ-OD1 4Å; R318-D320 IonicContact NE-OD1 3.63Å; R318-D320 PolarHBondContact NE-OD1 2.94Å; R318-D320 IonicContact NH2-OD1 3.93Å; R318-D320 PolarHBondContact O-N 2.94Å; D320-V363 PolarHBondContact N-O 3.43Å; D320-Q365 HydrophobicContact CB-CB 4.29Å; D320-Q365 HydrophobicContact CB-CG 4.24Å; D320-Q365 PolarHBondContact OD2-N 3.16Å
321	D	92.8	Very high	89.9	Confident	89 Å²	89	54.6 Å²	54.6	48%	0.476	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	173.3	171.7	-146.9	-15.5	0	0	0	111.7	V319 V363	V319-D321 WeakPolarHBondContact CG1-O 3.46Å; D321-V363 HydrophobicContact CB-CB 3.92Å; D321-V363 HydrophobicContact CB-CG2 4.23Å; D321-V363 PolarHBondContact N-O 3.45Å; D321-V363 VanDerWaalsContact N-O 3.16Å; D321-V363 PolarHBondContact O-N 3.07Å
322	I	94.3	Very high	90	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.5	170.3	-54.3	177.7	0	0	0	108.4	V299 L303 V319 W324 P360 L362	V299-I322 HydrophobicContact CG1-CD1 3.98Å; L303-I322 HydrophobicContact CB-CD1 4.13Å; L303-I322 HydrophobicContact CD1-CD1 3.88Å; V319-I322 HydrophobicContact CG1-CG1 4.3Å; I322-W324 HydrophobicContact CB-CZ2 4.4Å; I322-W324 HydrophobicContact CD1-CZ2 4.14Å; I322-W324 HydrophobicContact CG2-CD2 4.05Å; I322-W324 HydrophobicContact CG2-CG 4.4Å; I322-W324 HydrophobicContact CG2-CZ2 3.96Å; I322-W324 PolarHBondContact O-N 3.34Å; I322-P360 HydrophobicContact CG2-CB 4.03Å; I322-P360 HydrophobicContact CG2-CG 4.19Å; I322-L362 HydrophobicContact CD1-CD2 4.35Å; I322-L362 HydrophobicContact CG1-CD2 4.03Å; I322-L362 HydrophobicContact CG2-CD2 4.48Å
323	D	94.2	Very high	90	Very high	37 Å²	37	59.4 Å²	59.4	20%	0.198	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.1	173.7	-170.1	-35.4	0	0	0	108.7	D325 Q326 P360 V361 V363 M381	D323-D325 PolarHBondContact OD1-N 3.46Å; D323-Q326 HydrophobicContact CB-CB 4.46Å; D323-Q326 PolarHBondContact OD1-N 3.06Å; D323-Q326 WeakPolarHBondContact OD2-CG 3.23Å; D323-Q326 PolarHBondContact OD2-NE2 3.44Å; D323-P360 VanDerWaalsContact O-CB 3.29Å; D323-P360 WeakPolarHBondContact O-CB 3.49Å; D323-V361 PolarHBondContact N-O 3.03Å; D323-V361 PolarHBondContact O-N 3.01Å; D323-V363 HydrophobicContact CB-CG2 3.89Å; D323-M381 HydrophobicContact CB-CE 4.19Å
324	W	93.6	Very high	89.8	Confident	66 Å²	66	61 Å²	61	25%	0.25	29%	0.293	C	S	.	.	S	Bend	trans	-88.8	-12.9	-178.3	-62.3	94.1	0	0	0	113.3	M283 F295 Q296 V299 I322 P360	M283-W324 HydrophobicContact CE-CH2 3.6Å; M283-W324 HydrophobicContact CE-CZ3 3.69Å; F295-W324 HydrophobicContact CD1-CH2 4.39Å; F295-W324 HydrophobicContact CD1-CZ3 4.38Å; F295-W324 HydrophobicContact CE1-CH2 4.06Å; F295-W324 AromaticContact CE1-CZ3 3.96Å; F295-W324 HydrophobicContact CE1-CZ3 3.96Å; Q296-W324 HydrophobicContact CB-CD2 4.37Å; Q296-W324 HydrophobicContact CB-CH2 4.26Å; Q296-W324 HydrophobicContact CB-CZ2 3.9Å; Q296-W324 HydrophobicContact CG-CD2 3.85Å; Q296-W324 HydrophobicContact CG-CE3 3.84Å; Q296-W324 HydrophobicContact CG-CH2 4.01Å; Q296-W324 HydrophobicContact CG-CZ2 4.03Å; Q296-W324 HydrophobicContact CG-CZ3 3.92Å; V299-W324 HydrophobicContact CB-CH2 4.11Å; V299-W324 HydrophobicContact CB-CZ2 4.3Å; V299-W324 HydrophobicContact CG1-CH2 3.9Å; V299-W324 HydrophobicContact CG1-CZ2 4.12Å; I322-W324 HydrophobicContact CB-CZ2 4.4Å; I322-W324 HydrophobicContact CD1-CZ2 4.14Å; I322-W324 HydrophobicContact CG2-CD2 4.05Å; I322-W324 HydrophobicContact CG2-CG 4.4Å; I322-W324 HydrophobicContact CG2-CZ2 3.96Å; I322-W324 PolarHBondContact O-N 3.34Å; W324-P360 HydrophobicContact CD2-CB 4.31Å; W324-P360 HydrophobicContact CE3-CB 3.85Å; W324-P360 HydrophobicContact CE3-CG 3.84Å; W324-P360 HydrophobicContact CZ3-CB 4.35Å; W324-P360 HydrophobicContact CZ3-CG 3.81Å
325	D	94.1	Very high	89.3	Confident	155 Å²	155	65.6 Å²	65.6	83%	0.829	33%	0.334	S	S	*	.	S	Bend	trans	-90	-27.3	179.8	-62.6	-44.1	0	0	0	111.3	D323	D323-D325 PolarHBondContact OD1-N 3.46Å
326	Q	94.5	Very high	88.8	Confident	54 Å²	54	66.2 Å²	66.2	25%	0.252	34%	0.343	S	S	.	.			trans	-87.7	152	172.6	-67.2	-169.6	65.8	0	0	113.3	D323 S330 P360 V361	D323-Q326 HydrophobicContact CB-CB 4.46Å; D323-Q326 PolarHBondContact OD1-N 3.06Å; D323-Q326 WeakPolarHBondContact OD2-CG 3.23Å; D323-Q326 PolarHBondContact OD2-NE2 3.44Å; Q326-S330 WeakPolarHBondContact CA-OG 3Å; Q326-P360 WeakPolarHBondContact O-CA 3.36Å; Q326-V361 HydrophobicContact CB-CB 4.3Å; Q326-V361 HydrophobicContact CB-CG2 3.87Å
327	N	95.4	Very high	88.4	Confident	46 Å²	46	67.4 Å²	67.4	25%	0.246	36%	0.36	C	S	.	.			trans	-146.8	175.9	178	62.9	71	0	0	0	110	K329 S330 Q359	N327-K329 PolarHBondContact O-N 3.27Å; N327-K329 VanDerWaalsContact OD1-CB 3.31Å; N327-K329 WeakPolarHBondContact OD1-CB 3.45Å; N327-K329 PolarHBondContact OD1-N 3.22Å; N327-S330 PolarHBondContact N-OG 2.99Å; N327-S330 VanDerWaalsContact N-OG 3.09Å; N327-S330 WeakPolarHBondContact O-CB 3.35Å; N327-S330 PolarHBondContact O-N 2.86Å; N327-S330 PolarHBondContact O-OG 2.77Å; N327-Q359 WeakPolarHBondContact CA-O 3.24Å
328	P	95.7	Very high	88.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19	-177.9	-31	37.4	0	0	0	116.8	L343 I354 D356 L357 Q359 I383	P328-L343 WeakPolarHBondContact O-CB 3.32Å; P328-L343 PolarHBondContact O-N 3.25Å; P328-I354 HydrophobicContact CB-CG2 3.96Å; P328-I354 HydrophobicContact CG-CG2 3.78Å; P328-D356 WeakPolarHBondContact CG-O 3.42Å; P328-L357 HydrophobicContact CB-CD2 4.29Å; P328-Q359 VanDerWaalsContact CD-O 3.32Å; P328-Q359 WeakPolarHBondContact CD-O 3.48Å; P328-Q359 HydrophobicContact CG-CG 3.8Å; P328-I383 HydrophobicContact CG-CD1 4.19Å; P328-I383 HydrophobicContact CG-CG2 4.38Å
329	K	95.4	Very high	88.3	Confident	136 Å²	136	69.7 Å²	69.7	59%	0.591	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.9	174.8	-58.2	-178.1	177.8	-179.1	0	113.1	N327	N327-K329 PolarHBondContact O-N 3.27Å; N327-K329 VanDerWaalsContact OD1-CB 3.31Å; N327-K329 WeakPolarHBondContact OD1-CB 3.45Å; N327-K329 PolarHBondContact OD1-N 3.22Å
330	S	95	Very high	88.3	Confident	28 Å²	28	70 Å²	70	20%	0.196	38%	0.382	C	S	.	.			trans	-59	147.7	175.8	-57.6	0	0	0	0	111.4	Q326 N327 S341 F342	Q326-S330 WeakPolarHBondContact CA-OG 3Å; N327-S330 PolarHBondContact N-OG 2.99Å; N327-S330 VanDerWaalsContact N-OG 3.09Å; N327-S330 WeakPolarHBondContact O-CB 3.35Å; N327-S330 PolarHBondContact O-N 2.86Å; N327-S330 PolarHBondContact O-OG 2.77Å; S330-S341 WeakPolarHBondContact O-CA 3.32Å; S330-F342 WeakPolarHBondContact O-CD2 3.36Å; S330-F342 PolarHBondContact O-N 2.82Å
331	T	92.7	Very high	88.5	Confident	75 Å²	75	69 Å²	69	46%	0.46	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	154.8	-177	57.8	0	0	0	0	112.7	V340	T331-V340 CarbonylContact C-O 3.56Å; T331-V340 VanDerWaalsContact CA-O 3.24Å; T331-V340 WeakPolarHBondContact CA-O 3.36Å
332	F	87.8	Confident	88.4	Confident	60 Å²	60	65 Å²	65	26%	0.263	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156	170.9	74	-80.5	0	0	0	111.1	E339 V340 F342 Y345	F332-E339 WeakPolarHBondContact O-CA 3.09Å; F332-V340 HydrophobicContact CD1-CG1 4.13Å; F332-V340 HydrophobicContact CE1-CG1 3.58Å; F332-V340 HydrophobicContact CE2-CG1 4.4Å; F332-V340 HydrophobicContact CZ-CG1 3.74Å; F332-V340 PolarHBondContact N-O 3.32Å; F332-V340 PolarHBondContact O-N 2.91Å; F332-V340 VanDerWaalsContact O-N 3.1Å; F332-F342 HydrophobicContact CB-CE1 4.28Å; F332-F342 HydrophobicContact CB-CZ 4.38Å; F332-F342 AromaticContact CD1-CD1 3.57Å; F332-F342 HydrophobicContact CD1-CD1 3.57Å; F332-F342 AromaticContact CD1-CE1 3.42Å; F332-F342 HydrophobicContact CD1-CE1 3.42Å; F332-F342 VanDerWaalsContact CD1-CE1 3.42Å; F332-F342 HydrophobicContact CD1-CG 4.42Å; F332-F342 HydrophobicContact CD1-CZ 4.18Å; F332-F342 AromaticContact CE1-CD1 3.73Å; F332-F342 HydrophobicContact CE1-CD1 3.73Å; F332-F342 AromaticContact CE1-CE1 3.95Å; F332-F342 HydrophobicContact CE1-CE1 3.95Å; F332-F342 AromaticContact CG-CE1 3.99Å; F332-F342 HydrophobicContact CG-CE1 3.99Å; F332-Y345 HydrophobicContact CE1-CD1 4.2Å; F332-Y345 HydrophobicContact CE1-CD2 4.45Å; F332-Y345 AromaticContact CE1-CG 3.91Å; F332-Y345 HydrophobicContact CE1-CG 3.91Å; F332-Y345 AromaticContact CZ-CD1 3.95Å; F332-Y345 HydrophobicContact CZ-CD1 3.95Å; F332-Y345 AromaticContact CZ-CD2 3.79Å; F332-Y345 HydrophobicContact CZ-CD2 3.79Å; F332-Y345 HydrophobicContact CZ-CE1 4.35Å; F332-Y345 HydrophobicContact CZ-CE2 4.21Å; F332-Y345 AromaticContact CZ-CG 3.65Å; F332-Y345 HydrophobicContact CZ-CG 3.65Å
333	K	83.6	Confident	88.4	Confident	146 Å²	146	67.3 Å²	67.3	64%	0.635	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.8	176	-71.9	-179	179.9	-177.2	0	111	E339	K333-E339 HydrophobicContact CD-CG 4.47Å; K333-E339 WeakPolarHBondContact CE-OE1 3.38Å; K333-E339 HydrophobicContact CG-CG 3.58Å; K333-E339 IonicContact NZ-OE1 4Å
334	K	75.2	Confident	88.1	Confident	73 Å²	73	69.2 Å²	69.2	32%	0.317	38%	0.377	S	S	.	.			trans	-74.3	169.9	170	-61.9	-172	-150.4	116.3	0	111	D336 G337 S338 V340	K334-D336 VanDerWaalsContact CB-OD1 3.28Å; K334-D336 WeakPolarHBondContact CB-OD1 3.18Å; K334-D336 PolarHBondContact O-N 2.87Å; K334-G337 PolarHBondContact O-N 2.97Å; K334-S338 WeakPolarHBondContact CB-O 3.27Å; K334-S338 PolarHBondContact N-O 2.92Å; K334-S338 PolarHBondContact NZ-OG 3.13Å; K334-V340 HydrophobicContact CD-CG1 4.3Å; K334-V340 VanDerWaalsContact CE-CG1 3.45Å; K334-V340 HydrophobicContact CG-CG1 3.95Å
335	A	70.1	Confident	87.8	Confident	120 Å²	120	68.8 Å²	68.8	99%	0.992	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.8	175.3	0	0	0	0	0	114.3	G337	A335-G337 VanDerWaalsContact C-N 3.32Å
336	D	72.3	Confident	87.5	Confident	119 Å²	119	61.7 Å²	61.7	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	2.9	173.2	59.1	26.3	0	0	0	113.1	K334 S338	K334-D336 VanDerWaalsContact CB-OD1 3.28Å; K334-D336 WeakPolarHBondContact CB-OD1 3.18Å; K334-D336 PolarHBondContact O-N 2.87Å; D336-S338 VanDerWaalsContact C-N 3.28Å; D336-S338 PolarHBondContact O-N 2.97Å; D336-S338 VanDerWaalsContact OD1-CB 3.26Å; D336-S338 WeakPolarHBondContact OD1-CB 3.5Å; D336-S338 PolarHBondContact OD1-N 2.99Å; D336-S338 PolarHBondContact OD1-OG 2.9Å
337	G	75.8	Confident	87.1	Confident	52 Å²	52	66 Å²	66	54%	0.536	35%	0.351	S	S	.	.	S	Bend	trans	84	-12	-177.8	0	0	0	0	0	115	K334 A335	K334-G337 PolarHBondContact O-N 2.97Å; A335-G337 VanDerWaalsContact C-N 3.32Å
338	S	82.8	Confident	86.5	Confident	44 Å²	44	71.4 Å²	71.4	31%	0.308	37%	0.372	S	S	.	.			trans	-73	143.7	178	68.4	0	0	0	0	112.1	K334 D336	K334-S338 WeakPolarHBondContact CB-O 3.27Å; K334-S338 PolarHBondContact N-O 2.92Å; K334-S338 PolarHBondContact NZ-OG 3.13Å; D336-S338 VanDerWaalsContact C-N 3.28Å; D336-S338 PolarHBondContact O-N 2.97Å; D336-S338 VanDerWaalsContact OD1-CB 3.26Å; D336-S338 WeakPolarHBondContact OD1-CB 3.5Å; D336-S338 PolarHBondContact OD1-N 2.99Å; D336-S338 PolarHBondContact OD1-OG 2.9Å
339	E	88.9	Confident	85.9	Confident	112 Å²	112	76.8 Å²	76.8	52%	0.523	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	149.8	171.2	-72.6	-174.8	-164.4	0	0	111.5	F332 K333	F332-E339 WeakPolarHBondContact O-CA 3.09Å; K333-E339 HydrophobicContact CD-CG 4.47Å; K333-E339 WeakPolarHBondContact CE-OE1 3.38Å; K333-E339 HydrophobicContact CG-CG 3.58Å; K333-E339 IonicContact NZ-OE1 4Å
340	V	90.3	Very high	85.3	Confident	8 Å²	8	73.2 Å²	73.2	5%	0.048	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.8	174.6	68.4	0	0	0	0	109.4	T331 F332 K334 E344 Y345	T331-V340 CarbonylContact C-O 3.56Å; T331-V340 VanDerWaalsContact CA-O 3.24Å; T331-V340 WeakPolarHBondContact CA-O 3.36Å; F332-V340 HydrophobicContact CD1-CG1 4.13Å; F332-V340 HydrophobicContact CE1-CG1 3.58Å; F332-V340 HydrophobicContact CE2-CG1 4.4Å; F332-V340 HydrophobicContact CZ-CG1 3.74Å; F332-V340 PolarHBondContact N-O 3.32Å; F332-V340 PolarHBondContact O-N 2.91Å; F332-V340 VanDerWaalsContact O-N 3.1Å; K334-V340 HydrophobicContact CD-CG1 4.3Å; K334-V340 VanDerWaalsContact CE-CG1 3.45Å; K334-V340 HydrophobicContact CG-CG1 3.95Å; V340-E344 HydrophobicContact CG2-CB 3.92Å; V340-E344 HydrophobicContact CG2-CG 4.08Å; V340-Y345 HydrophobicContact CG1-CD2 4.46Å
341	S	93.4	Very high	84.9	Confident	22 Å²	22	78.5 Å²	78.5	15%	0.154	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	155.4	170.2	63.1	0	0	0	0	111.3	S330 L343 E344 Y345	S330-S341 WeakPolarHBondContact O-CA 3.32Å; S341-L343 VanDerWaalsContact C-N 3.29Å; S341-L343 PolarHBondContact O-N 3.49Å; S341-E344 PolarHBondContact O-N 3.25Å; S341-E344 WeakPolarHBondContact OG-CB 3.34Å; S341-E344 PolarHBondContact OG-N 2.93Å; S341-E344 VanDerWaalsContact OG-N 3.09Å; S341-Y345 VanDerWaalsContact O-CB 3.29Å; S341-Y345 WeakPolarHBondContact O-CB 3.35Å; S341-Y345 PolarHBondContact O-N 3.12Å
342	F	92.4	Very high	84.7	Confident	5 Å²	5	77.6 Å²	77.6	2%	0.022	40%	0.397	C	S	.	.	H	α-helix	trans	-58.2	-44.9	171.1	-64.2	-61.8	0	0	0	111.2	S330 F332 E344 Y345 Y346 V361 M381 I383	S330-F342 WeakPolarHBondContact O-CD2 3.36Å; S330-F342 PolarHBondContact O-N 2.82Å; F332-F342 HydrophobicContact CB-CE1 4.28Å; F332-F342 HydrophobicContact CB-CZ 4.38Å; F332-F342 AromaticContact CD1-CD1 3.57Å; F332-F342 HydrophobicContact CD1-CD1 3.57Å; F332-F342 AromaticContact CD1-CE1 3.42Å; F332-F342 HydrophobicContact CD1-CE1 3.42Å; F332-F342 VanDerWaalsContact CD1-CE1 3.42Å; F332-F342 HydrophobicContact CD1-CG 4.42Å; F332-F342 HydrophobicContact CD1-CZ 4.18Å; F332-F342 AromaticContact CE1-CD1 3.73Å; F332-F342 HydrophobicContact CE1-CD1 3.73Å; F332-F342 AromaticContact CE1-CE1 3.95Å; F332-F342 HydrophobicContact CE1-CE1 3.95Å; F332-F342 AromaticContact CG-CE1 3.99Å; F332-F342 HydrophobicContact CG-CE1 3.99Å; F342-E344 PolarHBondContact O-N 2.84Å; F342-Y345 PolarHBondContact O-N 2.76Å; F342-Y346 HydrophobicContact CB-CD2 4.32Å; F342-Y346 HydrophobicContact CB-CE2 4.37Å; F342-Y346 WeakPolarHBondContact O-CD2 3.3Å; F342-Y346 PolarHBondContact O-N 2.68Å; F342-V361 HydrophobicContact CD2-CG2 4.41Å; F342-V361 HydrophobicContact CE2-CG2 4.25Å; F342-M381 HydrophobicContact CE1-CB 3.58Å; F342-M381 HydrophobicContact CE1-CG 4.29Å; F342-M381 HydrophobicContact CZ-CB 3.65Å; F342-M381 HydrophobicContact CZ-CG 4.05Å; F342-I383 HydrophobicContact CB-CD1 4.04Å; F342-I383 HydrophobicContact CB-CG1 4.48Å; F342-I383 HydrophobicContact CD2-CD1 4.49Å; F342-I383 HydrophobicContact CG-CD1 4.25Å
343	L	92.8	Very high	84.8	Confident	56 Å²	56	81.2 Å²	81.2	29%	0.293	42%	0.415	S	S	.	.	H	α-helix	trans	-51.1	-53.4	176.2	-179.1	65.1	0	0	0	112.5	P328 S341 R347 I354 L357	P328-L343 WeakPolarHBondContact O-CB 3.32Å; P328-L343 PolarHBondContact O-N 3.25Å; S341-L343 VanDerWaalsContact C-N 3.29Å; S341-L343 PolarHBondContact O-N 3.49Å; L343-R347 WeakPolarHBondContact O-CB 3.42Å; L343-R347 PolarHBondContact O-N 3.25Å; L343-R347 VanDerWaalsContact O-N 3.12Å; L343-I354 HydrophobicContact CD1-CB 3.9Å; L343-L357 HydrophobicContact CD1-CD2 4.04Å; L343-L357 HydrophobicContact CD2-CD2 4.14Å
344	E	87.4	Confident	85.3	Confident	76 Å²	76	74.9 Å²	74.9	36%	0.355	39%	0.388	S	S	.	.	H	α-helix	trans	-71.2	-35.1	-178.3	-172	-176.7	-175.5	0	0	112.4	V340 S341 F342 K348	V340-E344 HydrophobicContact CG2-CB 3.92Å; V340-E344 HydrophobicContact CG2-CG 4.08Å; S341-E344 PolarHBondContact O-N 3.25Å; S341-E344 WeakPolarHBondContact OG-CB 3.34Å; S341-E344 PolarHBondContact OG-N 2.93Å; S341-E344 VanDerWaalsContact OG-N 3.09Å; F342-E344 PolarHBondContact O-N 2.84Å; E344-K348 HydrophobicContact CG-CD 3.94Å; E344-K348 HydrophobicContact CG-CG 4.34Å; E344-K348 WeakPolarHBondContact O-CB 3.29Å; E344-K348 WeakPolarHBondContact O-CG 3.41Å; E344-K348 PolarHBondContact O-N 3Å; E344-K348 WeakPolarHBondContact OE1-CE 3.38Å; E344-K348 IonicContact OE1-NZ 3.92Å; E344-K348 PolarHBondContact OE1-NZ 2.91Å
345	Y	87.9	Confident	86.2	Confident	58 Å²	58	76.9 Å²	76.9	23%	0.227	41%	0.407	C	S	.	.	H	α-helix	trans	-61.7	-50.2	174.4	173.7	-105.2	0	0	0	111.8	F332 V340 S341 F342 R347 K348 Q349 Y350	F332-Y345 HydrophobicContact CE1-CD1 4.2Å; F332-Y345 HydrophobicContact CE1-CD2 4.45Å; F332-Y345 AromaticContact CE1-CG 3.91Å; F332-Y345 HydrophobicContact CE1-CG 3.91Å; F332-Y345 AromaticContact CZ-CD1 3.95Å; F332-Y345 HydrophobicContact CZ-CD1 3.95Å; F332-Y345 AromaticContact CZ-CD2 3.79Å; F332-Y345 HydrophobicContact CZ-CD2 3.79Å; F332-Y345 HydrophobicContact CZ-CE1 4.35Å; F332-Y345 HydrophobicContact CZ-CE2 4.21Å; F332-Y345 AromaticContact CZ-CG 3.65Å; F332-Y345 HydrophobicContact CZ-CG 3.65Å; V340-Y345 HydrophobicContact CG1-CD2 4.46Å; S341-Y345 VanDerWaalsContact O-CB 3.29Å; S341-Y345 WeakPolarHBondContact O-CB 3.35Å; S341-Y345 PolarHBondContact O-N 3.12Å; F342-Y345 PolarHBondContact O-N 2.76Å; Y345-R347 VanDerWaalsContact C-N 3.34Å; Y345-R347 PolarHBondContact O-N 3.44Å; Y345-K348 PolarHBondContact O-N 3.26Å; Y345-Q349 HydrophobicContact CD2-CB 4.19Å; Y345-Q349 HydrophobicContact CE2-CB 3.93Å; Y345-Q349 HydrophobicContact CE2-CG 3.95Å; Y345-Q349 WeakPolarHBondContact O-CB 3.23Å; Y345-Q349 PolarHBondContact O-N 3.48Å; Y345-Y350 HydrophobicContact CE1-CD2 4.42Å; Y345-Y350 AromaticContact CE1-CE2 3.82Å; Y345-Y350 HydrophobicContact CE1-CE2 3.82Å; Y345-Y350 AromaticContact CZ-CE2 3.98Å
346	Y	88	Confident	87.3	Confident	6 Å²	6	73 Å²	73	2%	0.024	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-37.2	-179.7	-78.7	-67.4	0	0	0	112.2	Y312 F342 Y350 N351 Q352 I354 M381 I383 L386	Y312-Y346 HydrophobicContact CD1-CD1 4.44Å; Y312-Y346 HydrophobicContact CD1-CE1 4.24Å; Y312-Y346 HydrophobicContact CE1-CD1 4.2Å; Y312-Y346 AromaticContact CE1-CE1 3.58Å; Y312-Y346 HydrophobicContact CE1-CE1 3.58Å; Y312-Y346 AromaticContact CE2-CE1 3.95Å; Y312-Y346 HydrophobicContact CE2-CE1 3.95Å; Y312-Y346 AromaticContact CZ-CE1 3.43Å; Y312-Y346 VanDerWaalsContact CZ-CE1 3.43Å; Y312-Y346 PolarHBondContact OH-OH 2.84Å; F342-Y346 HydrophobicContact CB-CD2 4.32Å; F342-Y346 HydrophobicContact CB-CE2 4.37Å; F342-Y346 WeakPolarHBondContact O-CD2 3.3Å; F342-Y346 PolarHBondContact O-N 2.68Å; Y346-Y350 AromaticContact CD1-CD2 3.71Å; Y346-Y350 HydrophobicContact CD1-CD2 3.71Å; Y346-Y350 HydrophobicContact CD1-CE2 4.3Å; Y346-Y350 HydrophobicContact CE1-CD2 4.05Å; Y346-Y350 HydrophobicContact CE1-CE2 4.2Å; Y346-Y350 CarbonylContact O-C 3.54Å; Y346-Y350 WeakPolarHBondContact O-CB 3.4Å; Y346-Y350 PolarHBondContact O-N 2.66Å; Y346-Y350 VanDerWaalsContact O-N 3.12Å; Y346-N351 PolarHBondContact O-N 3.33Å; Y346-Q352 CarbonylContact C-O 3.47Å; Y346-Q352 PolarHBondContact O-N 3.39Å; Y346-I354 HydrophobicContact CD2-CD1 3.83Å; Y346-I354 HydrophobicContact CG-CD1 4.15Å; Y346-M381 PolarHBondContact OH-O 2.68Å; Y346-I383 HydrophobicContact CD2-CG1 3.93Å; Y346-I383 HydrophobicContact CE2-CG1 3.58Å; Y346-L386 HydrophobicContact CD1-CD1 3.63Å; Y346-L386 HydrophobicContact CD2-CD1 4.18Å; Y346-L386 HydrophobicContact CE1-CD1 4.12Å; Y346-L386 HydrophobicContact CG-CD1 3.69Å
347	R	86.1	Confident	88.4	Confident	145 Å²	145	70.2 Å²	70.2	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-63.3	-52.9	172	-175.7	174.3	167.9	124.1	-7.8	112	L343 Y345 N351 Q352 E353	L343-R347 WeakPolarHBondContact O-CB 3.42Å; L343-R347 PolarHBondContact O-N 3.25Å; L343-R347 VanDerWaalsContact O-N 3.12Å; Y345-R347 VanDerWaalsContact C-N 3.34Å; Y345-R347 PolarHBondContact O-N 3.44Å; R347-N351 VanDerWaalsContact O-CA 3.23Å; R347-N351 WeakPolarHBondContact O-CA 3.45Å; R347-N351 PolarHBondContact O-N 3.14Å; R347-N351 VanDerWaalsContact O-N 3.07Å; R347-Q352 VanDerWaalsContact CA-O 3.31Å; R347-Q352 WeakPolarHBondContact CA-O 3.45Å; R347-Q352 PolarHBondContact N-O 3.04Å; R347-E353 IonicContact CZ-OE1 2.75Å; R347-E353 IonicContact NH1-OE1 3.2Å; R347-E353 PolarHBondContact NH1-OE1 2.78Å
348	K	83.6	Confident	89.2	Confident	158 Å²	158	76.9 Å²	76.9	69%	0.687	37%	0.368	S	S	*	.	H	α-helix	trans	-70.9	-38.6	-176.7	-73.8	-177.6	172.3	174	0	114	E344 Y345	E344-K348 HydrophobicContact CG-CD 3.94Å; E344-K348 HydrophobicContact CG-CG 4.34Å; E344-K348 WeakPolarHBondContact O-CB 3.29Å; E344-K348 WeakPolarHBondContact O-CG 3.41Å; E344-K348 PolarHBondContact O-N 3Å; E344-K348 WeakPolarHBondContact OE1-CE 3.38Å; E344-K348 IonicContact OE1-NZ 3.92Å; E344-K348 PolarHBondContact OE1-NZ 2.91Å; Y345-K348 PolarHBondContact O-N 3.26Å
349	Q	82.5	Confident	89.8	Confident	113 Å²	113	75 Å²	75	53%	0.528	35%	0.354	S	S	.	.	H	α-helix	trans	-89.8	-28.2	-171.7	-175.5	56.1	80.2	0	0	113.5	Y345	Y345-Q349 HydrophobicContact CD2-CB 4.19Å; Y345-Q349 HydrophobicContact CE2-CB 3.93Å; Y345-Q349 HydrophobicContact CE2-CG 3.95Å; Y345-Q349 WeakPolarHBondContact O-CB 3.23Å; Y345-Q349 PolarHBondContact O-N 3.48Å
350	Y	82.8	Confident	90.1	Very high	62 Å²	62	70.3 Å²	70.3	24%	0.243	33%	0.334	C	S	.	.	H	α-helix	trans	-133.8	1.9	-170.5	-61.5	-63.5	0	0	0	114.2	Y312 Y345 Y346 Q352	Y312-Y350 AromaticContact CD2-CD1 3.61Å; Y312-Y350 HydrophobicContact CD2-CD1 3.61Å; Y312-Y350 AromaticContact CD2-CD2 3.64Å; Y312-Y350 HydrophobicContact CD2-CD2 3.64Å; Y312-Y350 AromaticContact CD2-CE1 3.72Å; Y312-Y350 HydrophobicContact CD2-CE1 3.72Å; Y312-Y350 AromaticContact CD2-CE2 3.7Å; Y312-Y350 HydrophobicContact CD2-CE2 3.7Å; Y312-Y350 AromaticContact CD2-CG 3.58Å; Y312-Y350 HydrophobicContact CD2-CG 3.58Å; Y312-Y350 AromaticContact CD2-CZ 3.75Å; Y312-Y350 HydrophobicContact CE2-CD1 4.44Å; Y312-Y350 AromaticContact CE2-CD2 3.92Å; Y312-Y350 HydrophobicContact CE2-CD2 3.92Å; Y312-Y350 HydrophobicContact CE2-CE1 4.19Å; Y312-Y350 AromaticContact CE2-CE2 3.59Å; Y312-Y350 HydrophobicContact CE2-CE2 3.59Å; Y312-Y350 HydrophobicContact CE2-CG 4.32Å; Y312-Y350 AromaticContact CE2-CZ 3.75Å; Y312-Y350 HydrophobicContact CG-CD1 4.33Å; Y312-Y350 HydrophobicContact CG-CD2 4.27Å; Y312-Y350 HydrophobicContact CG-CG 4.05Å; Y345-Y350 HydrophobicContact CE1-CD2 4.42Å; Y345-Y350 AromaticContact CE1-CE2 3.82Å; Y345-Y350 HydrophobicContact CE1-CE2 3.82Å; Y345-Y350 AromaticContact CZ-CE2 3.98Å; Y346-Y350 AromaticContact CD1-CD2 3.71Å; Y346-Y350 HydrophobicContact CD1-CD2 3.71Å; Y346-Y350 HydrophobicContact CD1-CE2 4.3Å; Y346-Y350 HydrophobicContact CE1-CD2 4.05Å; Y346-Y350 HydrophobicContact CE1-CE2 4.2Å; Y346-Y350 CarbonylContact O-C 3.54Å; Y346-Y350 WeakPolarHBondContact O-CB 3.4Å; Y346-Y350 PolarHBondContact O-N 2.66Å; Y346-Y350 VanDerWaalsContact O-N 3.12Å; Y350-Q352 PolarHBondContact O-N 3.42Å; Y350-Q352 PolarHBondContact O-NE2 3.07Å; Y350-Q352 VanDerWaalsContact O-NE2 3.11Å
351	N	86.5	Confident	90.4	Very high	139 Å²	139	69.9 Å²	69.9	74%	0.743	33%	0.331	S	S	*	.			trans	49.4	42.6	-175.1	-160.8	60.1	0	0	0	112.3	Y346 R347	Y346-N351 PolarHBondContact O-N 3.33Å; R347-N351 VanDerWaalsContact O-CA 3.23Å; R347-N351 WeakPolarHBondContact O-CA 3.45Å; R347-N351 PolarHBondContact O-N 3.14Å; R347-N351 VanDerWaalsContact O-N 3.07Å
352	Q	87.7	Confident	90.5	Very high	56 Å²	56	68.9 Å²	68.9	26%	0.262	32%	0.324	S	S	.	.			trans	-106.5	132.5	175.3	-58.1	-59.8	-78.3	0	0	109.3	Y346 R347 Y350 L386	Y346-Q352 CarbonylContact C-O 3.47Å; Y346-Q352 PolarHBondContact O-N 3.39Å; R347-Q352 VanDerWaalsContact CA-O 3.31Å; R347-Q352 WeakPolarHBondContact CA-O 3.45Å; R347-Q352 PolarHBondContact N-O 3.04Å; Y350-Q352 PolarHBondContact O-N 3.42Å; Y350-Q352 PolarHBondContact O-NE2 3.07Å; Y350-Q352 VanDerWaalsContact O-NE2 3.11Å; Q352-L386 HydrophobicContact CB-CD1 4.2Å; Q352-L386 HydrophobicContact CB-CD2 4.25Å
353	E	91.2	Very high	90.6	Very high	136 Å²	136	69.2 Å²	69.2	64%	0.636	33%	0.327	S	S	*	.			trans	-94.4	146.5	166.4	-56.4	-158.6	132	0	0	109.2	R347	R347-E353 IonicContact CZ-OE1 2.75Å; R347-E353 IonicContact NH1-OE1 3.2Å; R347-E353 PolarHBondContact NH1-OE1 2.78Å
354	I	93.9	Very high	90.5	Very high	12 Å²	12	67.1 Å²	67.1	6%	0.062	32%	0.316	C	S	.	.			trans	-117.1	123.6	179.2	-67.7	164.9	0	0	0	106.2	P328 L343 Y346 L357 I383 E385 L386	P328-I354 HydrophobicContact CB-CG2 3.96Å; P328-I354 HydrophobicContact CG-CG2 3.78Å; L343-I354 HydrophobicContact CD1-CB 3.9Å; Y346-I354 HydrophobicContact CD2-CD1 3.83Å; Y346-I354 HydrophobicContact CG-CD1 4.15Å; I354-L357 HydrophobicContact CG2-CD2 4.49Å; I354-I383 HydrophobicContact CD1-CB 4.38Å; I354-I383 HydrophobicContact CD1-CG1 3.94Å; I354-I383 HydrophobicContact CD1-CG2 4.1Å; I354-I383 HydrophobicContact CG1-CG2 4.34Å; I354-I383 HydrophobicContact CG2-CG2 4.13Å; I354-E385 WeakPolarHBondContact CG2-OE2 3.35Å; I354-L386 HydrophobicContact CD1-CD1 4.05Å; I354-L386 HydrophobicContact CG1-CD1 3.96Å; I354-L386 HydrophobicContact CG1-CG 4.29Å
355	T	94.1	Very high	90.4	Very high	116 Å²	116	68.2 Å²	68.2	71%	0.712	32%	0.322	S	S	*	.			trans	-92.7	-41.7	-170.7	58.3	0	0	0	0	112.4	E385	T355-E385 WeakPolarHBondContact CB-OE1 3.41Å; T355-E385 PolarHBondContact N-OE1 3.42Å; T355-E385 PolarHBondContact N-OE2 3.37Å; T355-E385 VanDerWaalsContact OG1-CD 3.24Å; T355-E385 PolarHBondContact OG1-OE1 3.48Å; T355-E385 PolarHBondContact OG1-OE2 2.94Å
356	D	93.5	Very high	89.5	Confident	37 Å²	37	68.2 Å²	68.2	20%	0.198	33%	0.328	C	S	.	.			trans	-89.6	110.3	176	-173.4	-18.7	0	0	0	110.5	L280 F284 P328 K358 Q359 E385	L280-D356 HydrophobicContact CD2-CB 3.78Å; F284-D356 WeakPolarHBondContact CZ-OD2 3.29Å; P328-D356 WeakPolarHBondContact CG-O 3.42Å; D356-K358 WeakPolarHBondContact OD1-CA 3.29Å; D356-K358 PolarHBondContact OD1-N 3.32Å; D356-Q359 HydrophobicContact CB-CB 4.38Å; D356-Q359 WeakPolarHBondContact O-CG 3.36Å; D356-Q359 PolarHBondContact O-NE2 2.88Å; D356-Q359 PolarHBondContact OD1-N 3.47Å; D356-Q359 VanDerWaalsContact OD1-N 3.12Å; D356-E385 PolarHBondContact N-OE2 2.81Å
357	L	95.2	Very high	88.1	Confident	62 Å²	62	75.8 Å²	75.8	33%	0.325	36%	0.362	S	S	.	.	S	Bend	trans	-89.5	3.1	-180	-54.5	-178.7	0	0	0	114.2	P328 L343 I354	P328-L357 HydrophobicContact CB-CD2 4.29Å; L343-L357 HydrophobicContact CD1-CD2 4.04Å; L343-L357 HydrophobicContact CD2-CD2 4.14Å; I354-L357 HydrophobicContact CG2-CD2 4.49Å
358	K	93.3	Very high	86.5	Confident	192 Å²	192	80.2 Å²	80.2	84%	0.835	38%	0.378	S	S	*	.	S	Bend	trans	-110.7	-10.5	177.4	-66.6	-174.3	178.5	-177.3	0	113.4	D356	D356-K358 WeakPolarHBondContact OD1-CA 3.29Å; D356-K358 PolarHBondContact OD1-N 3.32Å
359	Q	94.8	Very high	84.8	Confident	3 Å²	3	79.2 Å²	79.2	1%	0.014	37%	0.37	C	S	.	.			trans	-56.3	144.8	176.4	72.9	-171.3	-74.7	0	0	112	L280 N327 P328 D356 I383 P384 E385	L280-Q359 HydrophobicContact CD1-CB 3.76Å; N327-Q359 WeakPolarHBondContact CA-O 3.24Å; P328-Q359 VanDerWaalsContact CD-O 3.32Å; P328-Q359 WeakPolarHBondContact CD-O 3.48Å; P328-Q359 HydrophobicContact CG-CG 3.8Å; D356-Q359 HydrophobicContact CB-CB 4.38Å; D356-Q359 WeakPolarHBondContact O-CG 3.36Å; D356-Q359 PolarHBondContact O-NE2 2.88Å; D356-Q359 PolarHBondContact OD1-N 3.47Å; D356-Q359 VanDerWaalsContact OD1-N 3.12Å; Q359-I383 VanDerWaalsContact CD-CG2 3.42Å; Q359-I383 HydrophobicContact CG-CG2 4.23Å; Q359-P384 VanDerWaalsContact OE1-CD 3.27Å; Q359-E385 PolarHBondContact NE2-OE2 2.8Å
360	P	95.8	Very high	83	Confident	14 Å²	14	83.5 Å²	83.5	9%	0.091	38%	0.381	C	S	.	.			trans	-72.9	177.7	176.3	32.3	-36.4	0	0	0	111.6	M283 I322 D323 W324 Q326 P384	M283-P360 HydrophobicContact CE-CG 3.42Å; M283-P360 VanDerWaalsContact CE-CG 3.42Å; M283-P360 HydrophobicContact SD-CG 4.36Å; I322-P360 HydrophobicContact CG2-CB 4.03Å; I322-P360 HydrophobicContact CG2-CG 4.19Å; D323-P360 VanDerWaalsContact O-CB 3.29Å; D323-P360 WeakPolarHBondContact O-CB 3.49Å; W324-P360 HydrophobicContact CD2-CB 4.31Å; W324-P360 HydrophobicContact CE3-CB 3.85Å; W324-P360 HydrophobicContact CE3-CG 3.84Å; W324-P360 HydrophobicContact CZ3-CB 4.35Å; W324-P360 HydrophobicContact CZ3-CG 3.81Å; Q326-P360 WeakPolarHBondContact O-CA 3.36Å; P360-P384 WeakPolarHBondContact O-CD 3.3Å; P360-P384 VanDerWaalsContact O-CG 3.24Å; P360-P384 WeakPolarHBondContact O-CG 3.31Å
361	V	96	Very high	81.3	Confident	0 Å²	0	82 Å²	82	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.3	-178.7	-174.8	0	0	0	0	111	D323 Q326 F342 M381 I383	D323-V361 PolarHBondContact N-O 3.03Å; D323-V361 PolarHBondContact O-N 3.01Å; Q326-V361 HydrophobicContact CB-CB 4.3Å; Q326-V361 HydrophobicContact CB-CG2 3.87Å; F342-V361 HydrophobicContact CD2-CG2 4.41Å; F342-V361 HydrophobicContact CE2-CG2 4.25Å; V361-M381 HydrophobicContact CB-CE 4.37Å; V361-M381 HydrophobicContact CG1-CB 3.8Å; V361-M381 HydrophobicContact CG1-CE 3.84Å; V361-I383 HydrophobicContact CG1-CD1 4.44Å; V361-I383 HydrophobicContact CG2-CD1 4.05Å
362	L	95.8	Very high	79.2	Confident	0 Å²	0	82 Å²	82	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.5	176	-50.3	174	0	0	0	110.2	V279 V319 I322 M381 L382 P384 C387	V279-L362 HydrophobicContact CB-CD1 4.34Å; V279-L362 HydrophobicContact CG1-CD1 4.06Å; V279-L362 HydrophobicContact CG1-CD2 4.22Å; V279-L362 HydrophobicContact CG2-CD1 4.15Å; V319-L362 HydrophobicContact CG1-CD2 4.43Å; V319-L362 HydrophobicContact CG2-CD1 4.24Å; I322-L362 HydrophobicContact CD1-CD2 4.35Å; I322-L362 HydrophobicContact CG1-CD2 4.03Å; I322-L362 HydrophobicContact CG2-CD2 4.48Å; L362-M381 WeakPolarHBondContact O-CA 3.36Å; L362-L382 HydrophobicContact CB-CB 4.25Å; L362-L382 PolarHBondContact N-O 3.25Å; L362-L382 PolarHBondContact O-N 2.73Å; L362-P384 HydrophobicContact CD1-CG 4.49Å; L362-P384 HydrophobicContact CD2-CG 4.22Å; L362-P384 HydrophobicContact CG-CG 4.03Å; L362-C387 HydrophobicContact CD1-CB 4.4Å
363	V	93.3	Very high	77.5	Confident	13 Å²	13	83.1 Å²	83.1	8%	0.079	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.5	178.9	-170.2	0	0	0	0	109.7	D320 D321 D323 P379 M381	D320-V363 PolarHBondContact N-O 3.43Å; D321-V363 HydrophobicContact CB-CB 3.92Å; D321-V363 HydrophobicContact CB-CG2 4.23Å; D321-V363 PolarHBondContact N-O 3.45Å; D321-V363 VanDerWaalsContact N-O 3.16Å; D321-V363 PolarHBondContact O-N 3.07Å; D323-V363 HydrophobicContact CB-CG2 3.89Å; V363-P379 HydrophobicContact CG1-CB 3.76Å; V363-M381 HydrophobicContact CB-SD 4.45Å; V363-M381 HydrophobicContact CG1-SD 4.14Å; V363-M381 HydrophobicContact CG2-CE 3.98Å; V363-M381 HydrophobicContact CG2-SD 4.05Å
364	S	91.1	Very high	75.6	Confident	11 Å²	11	78.5 Å²	78.5	8%	0.077	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.1	172.5	-169.9	0	0	0	0	110.4	R318 P366 A380	R318-S364 WeakPolarHBondContact O-CA 3.2Å; R318-S364 WeakPolarHBondContact O-CB 3.41Å; R318-S364 PolarHBondContact O-OG 2.92Å; S364-P366 WeakPolarHBondContact O-CD 3.49Å; S364-A380 PolarHBondContact N-O 2.81Å; S364-A380 PolarHBondContact O-N 3.21Å
365	Q	85.2	Confident	73.6	Confident	100 Å²	100	82.6 Å²	82.6	47%	0.467	43%	0.434	S	S	.	.			trans	-92.3	113.4	-174.4	-71.1	-70.7	-5.5	0	0	110.4	D320 K367	D320-Q365 HydrophobicContact CB-CB 4.29Å; D320-Q365 HydrophobicContact CB-CG 4.24Å; D320-Q365 PolarHBondContact OD2-N 3.16Å; Q365-K367 PolarHBondContact O-N 2.94Å; Q365-K367 VanDerWaalsContact O-N 3.1Å
366	P	69.6	Low	71.7	Confident	57 Å²	57	82.9 Å²	82.9	37%	0.37	43%	0.43	S	S	.	.			trans	-64.4	117.5	177.9	26.2	-33.2	0	0	0	110.4	S364 R368 P377 G378	S364-P366 WeakPolarHBondContact O-CD 3.49Å; P366-R368 PolarHBondContact O-N 3.03Å; P366-P377 HydrophobicContact CB-CG 4.17Å; P366-P377 HydrophobicContact CG-CB 4.28Å; P366-P377 HydrophobicContact CG-CG 3.91Å; P366-P377 VanDerWaalsContact CG-O 3.3Å; P366-P377 WeakPolarHBondContact CG-O 3.49Å; P366-G378 WeakPolarHBondContact CG-O 3.33Å
367	K	59	Low	70.2	Confident	166 Å²	166	84.3 Å²	84.3	72%	0.722	44%	0.442	S	S	*	.			trans	-56.7	103.4	-179	-74.3	-176.6	177.5	174	0	111.8	Q365 R369	Q365-K367 PolarHBondContact O-N 2.94Å; Q365-K367 VanDerWaalsContact O-N 3.1Å; K367-R369 PolarHBondContact O-N 3.45Å; K367-R369 VanDerWaalsContact O-N 3.14Å
368	R	50.8	Low	69	Low	238 Å²	238	83.9 Å²	83.9	90%	0.898	45%	0.452	S	S	*	.	S	Bend	trans	13	80.7	171.6	-71.2	-172.8	177.8	-176.8	-0.6	114.2	P366	P366-R368 PolarHBondContact O-N 3.03Å
369	R	47.8	Very low	68.5	Low	136 Å²	136	77.7 Å²	77.7	51%	0.513	43%	0.431	S	S	.	.			trans	-122.2	125.6	160.9	-74.9	-174.8	173.2	-151.9	-4.6	107.7	R82 K367 P377	R82-R369 PolarHBondContact O-NH1 3.4Å; R82-R369 PolarHBondContact O-NH2 2.92Å; K367-R369 PolarHBondContact O-N 3.45Å; K367-R369 VanDerWaalsContact O-N 3.14Å; R369-P377 WeakPolarHBondContact O-CD 3.37Å
370	R	44.7	Very low	68.2	Low	203 Å²	203	79 Å²	79	77%	0.766	44%	0.443	S	S	*	.			trans	-71.4	134.7	162.5	-68	-175.6	176.2	171.7	-1.9	108	G374 T375	R370-G374 WeakPolarHBondContact CD-O 3.28Å; R370-G374 VanDerWaalsContact CG-O 3.28Å; R370-G374 WeakPolarHBondContact CG-O 3.4Å; R370-T375 CarbonylContact C-O 3.59Å; R370-T375 WeakPolarHBondContact CA-O 3.24Å
371	G	48.4	Very low	68	Low	30 Å²	30	80 Å²	80	31%	0.309	45%	0.447	S	S	.	.			trans	-70.7	175.8	169.6	0	0	0	0	0	111.6	G373 G374 T375	G371-G373 PolarHBondContact O-N 3.43Å; G371-G374 PolarHBondContact O-N 2.98Å; G371-T375 PolarHBondContact N-O 3.22Å
372	P	42.6	Very low	68	Low	139 Å²	139	80.1 Å²	80.1	90%	0.903	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	126.2	159.6	-15.8	30.2	0	0	0	108.1
373	G	51.8	Low	68	Low	80 Å²	80	80.2 Å²	80.2	83%	0.825	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	4.1	-172.7	0	0	0	0	0	115.9	G371 T375	G371-G373 PolarHBondContact O-N 3.43Å; G373-T375 VanDerWaalsContact C-N 3.26Å; G373-T375 PolarHBondContact O-N 2.94Å; G373-T375 VanDerWaalsContact O-N 3.17Å
374	G	51.4	Low	68.2	Low	39 Å²	39	79.6 Å²	79.6	40%	0.402	44%	0.444	S	S	.	.	S	Bend	trans	82.8	-13.2	167.9	0	0	0	0	0	116.2	R370 G371	R370-G374 WeakPolarHBondContact CD-O 3.28Å; R370-G374 VanDerWaalsContact CG-O 3.28Å; R370-G374 WeakPolarHBondContact CG-O 3.4Å; G371-G374 PolarHBondContact O-N 2.98Å
375	T	50.5	Low	68.4	Low	99 Å²	99	80.1 Å²	80.1	61%	0.607	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-65.3	144.5	176.6	46.1	0	0	0	0	112.1	R370 G371 G373	R370-T375 CarbonylContact C-O 3.59Å; R370-T375 WeakPolarHBondContact CA-O 3.24Å; G371-T375 PolarHBondContact N-O 3.22Å; G373-T375 VanDerWaalsContact C-N 3.26Å; G373-T375 PolarHBondContact O-N 2.94Å; G373-T375 VanDerWaalsContact O-N 3.17Å
376	L	54.4	Low	68.8	Low	121 Å²	121	75.6 Å²	75.6	63%	0.634	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-79.9	130.9	168.3	-75.8	160.3	0	0	0	108.4	G378	L376-G378 PolarHBondContact O-N 2.96Å
377	P	62.3	Low	69.9	Low	68 Å²	68	72.9 Å²	72.9	44%	0.442	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-63.2	131.4	166.8	27.9	-31.1	0	0	0	108.2	P366 R369	P366-P377 HydrophobicContact CB-CG 4.17Å; P366-P377 HydrophobicContact CG-CB 4.28Å; P366-P377 HydrophobicContact CG-CG 3.91Å; P366-P377 VanDerWaalsContact CG-O 3.3Å; P366-P377 WeakPolarHBondContact CG-O 3.49Å; R369-P377 WeakPolarHBondContact O-CD 3.37Å
378	G	70.4	Confident	71.4	Confident	53 Å²	53	68.3 Å²	68.3	55%	0.546	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-63.3	171.6	176.9	0	0	0	0	0	113	P366 L376	P366-G378 WeakPolarHBondContact CG-O 3.33Å; L376-G378 PolarHBondContact O-N 2.96Å
379	P	83.7	Confident	73.1	Confident	61 Å²	61	57 Å²	57	40%	0.396	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-55.8	143	174.8	23.4	-32.9	0	0	0	111.4	V363 M381	V363-P379 HydrophobicContact CG1-CB 3.76Å; P379-M381 HydrophobicContact CB-SD 4.13Å; P379-M381 HydrophobicContact CG-SD 4.23Å
380	A	88.4	Confident	74.8	Confident	31 Å²	31	51.1 Å²	51.1	26%	0.256	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.7	167.8	0	0	0	0	0	108.7	Y317 S364	Y317-A380 HydrophobicContact CD1-CB 4.16Å; Y317-A380 HydrophobicContact CE1-CB 3.87Å; S364-A380 PolarHBondContact N-O 2.81Å; S364-A380 PolarHBondContact O-N 3.21Å
381	M	91.6	Very high	76.4	Confident	34 Å²	34	42.6 Å²	42.6	17%	0.167	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.3	-179.4	-56	-57.7	-77.8	0	0	109.3	D323 F342 Y346 V361 L362 V363 P379	D323-M381 HydrophobicContact CB-CE 4.19Å; F342-M381 HydrophobicContact CE1-CB 3.58Å; F342-M381 HydrophobicContact CE1-CG 4.29Å; F342-M381 HydrophobicContact CZ-CB 3.65Å; F342-M381 HydrophobicContact CZ-CG 4.05Å; Y346-M381 PolarHBondContact OH-O 2.68Å; V361-M381 HydrophobicContact CB-CE 4.37Å; V361-M381 HydrophobicContact CG1-CB 3.8Å; V361-M381 HydrophobicContact CG1-CE 3.84Å; L362-M381 WeakPolarHBondContact O-CA 3.36Å; V363-M381 HydrophobicContact CB-SD 4.45Å; V363-M381 HydrophobicContact CG1-SD 4.14Å; V363-M381 HydrophobicContact CG2-CE 3.98Å; V363-M381 HydrophobicContact CG2-SD 4.05Å; P379-M381 HydrophobicContact CB-SD 4.13Å; P379-M381 HydrophobicContact CG-SD 4.23Å
382	L	94.7	Very high	77.8	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.5	-169.2	-48.1	170	0	0	0	111.2	V308 T310 Y317 L362	V308-L382 HydrophobicContact CG2-CD1 4.23Å; T310-L382 HydrophobicContact CG2-CD2 4.19Å; Y317-L382 VanDerWaalsContact CB-CD1 3.49Å; Y317-L382 HydrophobicContact CD1-CD1 4.06Å; Y317-L382 HydrophobicContact CD2-CD1 3.73Å; Y317-L382 HydrophobicContact CD2-CD2 4.19Å; Y317-L382 HydrophobicContact CE1-CD2 4.4Å; Y317-L382 HydrophobicContact CE2-CD1 4.45Å; Y317-L382 HydrophobicContact CE2-CD2 4.08Å; Y317-L382 HydrophobicContact CG-CD1 3.51Å; Y317-L382 HydrophobicContact CG-CD2 4.41Å; L362-L382 HydrophobicContact CB-CB 4.25Å; L362-L382 PolarHBondContact N-O 3.25Å; L362-L382 PolarHBondContact O-N 2.73Å
383	I	96.6	Very high	79.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	25%	0.251	C	S	.	.			trans	-87.9	124.6	-179.5	-57	-53.8	0	0	0	109.8	P328 F342 Y346 I354 Q359 V361 E385 L386 C387	P328-I383 HydrophobicContact CG-CD1 4.19Å; P328-I383 HydrophobicContact CG-CG2 4.38Å; F342-I383 HydrophobicContact CB-CD1 4.04Å; F342-I383 HydrophobicContact CB-CG1 4.48Å; F342-I383 HydrophobicContact CD2-CD1 4.49Å; F342-I383 HydrophobicContact CG-CD1 4.25Å; Y346-I383 HydrophobicContact CD2-CG1 3.93Å; Y346-I383 HydrophobicContact CE2-CG1 3.58Å; I354-I383 HydrophobicContact CD1-CB 4.38Å; I354-I383 HydrophobicContact CD1-CG1 3.94Å; I354-I383 HydrophobicContact CD1-CG2 4.1Å; I354-I383 HydrophobicContact CG1-CG2 4.34Å; I354-I383 HydrophobicContact CG2-CG2 4.13Å; Q359-I383 VanDerWaalsContact CD-CG2 3.42Å; Q359-I383 HydrophobicContact CG-CG2 4.23Å; V361-I383 HydrophobicContact CG1-CD1 4.44Å; V361-I383 HydrophobicContact CG2-CD1 4.05Å; I383-E385 VanDerWaalsContact C-N 3.31Å; I383-E385 HydrophobicContact CG2-CB 4.22Å; I383-E385 PolarHBondContact O-N 2.9Å; I383-L386 HydrophobicContact CB-CD1 4.37Å; I383-L386 HydrophobicContact CB-CG 4.31Å; I383-L386 HydrophobicContact CG2-CG 4.43Å; I383-L386 PolarHBondContact O-N 2.83Å; I383-C387 PolarHBondContact O-SG 2.97Å
384	P	96.2	Very high	80.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-50.3	-42.2	-178.8	-30.2	33.6	0	0	0	115.2	V279 L280 M283 Q359 P360 L362 L386 C387	V279-P384 HydrophobicContact CB-CB 3.98Å; V279-P384 HydrophobicContact CG1-CB 4.09Å; V279-P384 PolarHBondContact N-O 3.16Å; L280-P384 HydrophobicContact CB-CB 3.99Å; M283-P384 HydrophobicContact SD-CB 4.44Å; M283-P384 HydrophobicContact SD-CG 4.43Å; Q359-P384 VanDerWaalsContact OE1-CD 3.27Å; P360-P384 WeakPolarHBondContact O-CD 3.3Å; P360-P384 VanDerWaalsContact O-CG 3.24Å; P360-P384 WeakPolarHBondContact O-CG 3.31Å; L362-P384 HydrophobicContact CD1-CG 4.49Å; L362-P384 HydrophobicContact CD2-CG 4.22Å; L362-P384 HydrophobicContact CG-CG 4.03Å; P384-L386 PolarHBondContact O-N 3.45Å; P384-C387 PolarHBondContact O-N 3.28Å; P384-C387 VanDerWaalsContact O-N 3.12Å
385	E	95.8	Very high	81.6	Confident	23 Å²	23	44.3 Å²	44.3	11%	0.107	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-59	-30.2	177.6	-172.5	178.2	161.8	0	0	113.3	T278 L280 K311 I354 T355 D356 Q359 I383 C387	T278-E385 WeakPolarHBondContact CG2-O 3.37Å; L280-E385 HydrophobicContact CB-CB 4.3Å; L280-E385 HydrophobicContact CD2-CB 3.81Å; L280-E385 HydrophobicContact CD2-CG 4.12Å; K311-E385 WeakPolarHBondContact CE-O 3.4Å; K311-E385 PolarHBondContact NZ-O 3.26Å; I354-E385 WeakPolarHBondContact CG2-OE2 3.35Å; T355-E385 WeakPolarHBondContact CB-OE1 3.41Å; T355-E385 PolarHBondContact N-OE1 3.42Å; T355-E385 PolarHBondContact N-OE2 3.37Å; T355-E385 VanDerWaalsContact OG1-CD 3.24Å; T355-E385 PolarHBondContact OG1-OE1 3.48Å; T355-E385 PolarHBondContact OG1-OE2 2.94Å; D356-E385 PolarHBondContact N-OE2 2.81Å; Q359-E385 PolarHBondContact NE2-OE2 2.8Å; I383-E385 VanDerWaalsContact C-N 3.31Å; I383-E385 HydrophobicContact CG2-CB 4.22Å; I383-E385 PolarHBondContact O-N 2.9Å; E385-C387 VanDerWaalsContact C-N 3.34Å
386	L	94	Very high	83	Confident	4 Å²	4	41.1 Å²	41.1	2%	0.021	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-94	8.6	-178.3	-56.4	-174.5	0	0	0	113	T310 K311 Y312 Y346 Q352 I354 I383 P384	T310-L386 WeakPolarHBondContact CA-O 3.46Å; K311-L386 PolarHBondContact N-O 2.75Å; Y312-L386 HydrophobicContact CD1-CB 4.08Å; Y312-L386 HydrophobicContact CD1-CD1 4.31Å; Y312-L386 HydrophobicContact CE1-CB 4.01Å; Y312-L386 HydrophobicContact CE1-CD1 4.38Å; Y346-L386 HydrophobicContact CD1-CD1 3.63Å; Y346-L386 HydrophobicContact CD2-CD1 4.18Å; Y346-L386 HydrophobicContact CE1-CD1 4.12Å; Y346-L386 HydrophobicContact CG-CD1 3.69Å; Q352-L386 HydrophobicContact CB-CD1 4.2Å; Q352-L386 HydrophobicContact CB-CD2 4.25Å; I354-L386 HydrophobicContact CD1-CD1 4.05Å; I354-L386 HydrophobicContact CG1-CD1 3.96Å; I354-L386 HydrophobicContact CG1-CG 4.29Å; I383-L386 HydrophobicContact CB-CD1 4.37Å; I383-L386 HydrophobicContact CB-CG 4.31Å; I383-L386 HydrophobicContact CG2-CG 4.43Å; I383-L386 PolarHBondContact O-N 2.83Å; P384-L386 PolarHBondContact O-N 3.45Å
387	C	93.1	Very high	84.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.4	-175.6	-66.1	0	0	0	0	111.5	T278 V279 V308 L309 L362 I383 P384 E385	T278-C387 CarbonylContact C-O 3.39Å; T278-C387 WeakPolarHBondContact CA-O 3.47Å; T278-C387 WeakPolarHBondContact CB-O 3.35Å; V279-C387 HydrophobicContact CB-CB 4.42Å; V279-C387 HydrophobicContact CG2-CB 3.7Å; V279-C387 PolarHBondContact N-O 2.76Å; V308-C387 HydrophobicContact CB-CB 4.09Å; V308-C387 HydrophobicContact CG2-CB 4.37Å; L309-C387 WeakPolarHBondContact O-CA 3.32Å; L362-C387 HydrophobicContact CD1-CB 4.4Å; I383-C387 PolarHBondContact O-SG 2.97Å; P384-C387 PolarHBondContact O-N 3.28Å; P384-C387 VanDerWaalsContact O-N 3.12Å; E385-C387 VanDerWaalsContact C-N 3.34Å
388	Y	89.3	Confident	84.8	Confident	70 Å²	70	42.9 Å²	42.9	28%	0.275	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.7	167.1	-72.8	-61	0	0	0	111.3	T278 V308 L309 K311	T278-Y388 HydrophobicContact CG2-CD1 4.35Å; T278-Y388 HydrophobicContact CG2-CE1 4.19Å; V308-Y388 CarbonylContact C-O 3.57Å; V308-Y388 VanDerWaalsContact CA-O 3.29Å; V308-Y388 WeakPolarHBondContact CA-O 3.4Å; L309-Y388 PolarHBondContact N-O 2.86Å; L309-Y388 PolarHBondContact O-N 3.01Å; K311-Y388 HydrophobicContact CD-CE2 4.17Å; K311-Y388 HydrophobicContact CG-CD2 3.83Å; K311-Y388 HydrophobicContact CG-CE2 3.55Å
389	L	87.2	Confident	85.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.4	168.4	-71.6	169.9	0	0	0	110.2	R275 E277 V279 F282 L303 L306 V308	R275-L389 HydrophobicContact CB-CB 4.21Å; R275-L389 HydrophobicContact CG-CB 4.13Å; R275-L389 PolarHBondContact N-O 2.9Å; E277-L389 HydrophobicContact CG-CD1 4.34Å; V279-L389 HydrophobicContact CG2-CD2 3.97Å; V279-L389 HydrophobicContact CG2-CG 4.11Å; F282-L389 HydrophobicContact CB-CD1 3.61Å; F282-L389 HydrophobicContact CD1-CD1 4.37Å; F282-L389 HydrophobicContact CD2-CD1 3.84Å; F282-L389 HydrophobicContact CG-CD1 3.67Å; L303-L389 HydrophobicContact CD2-CD2 3.78Å; L306-L389 HydrophobicContact CD1-CD2 4.04Å; V308-L389 HydrophobicContact CG1-CD2 4.34Å
390	T	83.6	Confident	85.4	Confident	14 Å²	14	47.6 Å²	47.6	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	151.3	179.1	76	0	0	0	0	112.2	L274 V307 L309	L274-T390 HydrophobicContact CD2-CG2 3.94Å; V307-T390 WeakPolarHBondContact O-CB 3.48Å; V307-T390 PolarHBondContact O-N 3.23Å; V307-T390 PolarHBondContact O-OG1 2.94Å; L309-T390 HydrophobicContact CB-CG2 3.58Å
391	G	77.7	Confident	85.4	Confident	24 Å²	24	50.5 Å²	50.5	25%	0.247	25%	0.249	C	C	.	.	S	Bend	trans	64.9	-177.6	176.7	0	0	0	0	0	114.7	V273 R275	V273-G391 PolarHBondContact O-N 2.7Å; R275-G391 PolarHBondContact NE-O 2.72Å; R275-G391 PolarHBondContact NH2-O 2.92Å
392	L	79.3	Confident	85.1	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.052	24%	0.243	C	C	.	.			trans	-95.9	139.3	-174.6	-54.9	174.2	0	0	0	110.9	F71 L246 V273 M396 R397 M403 L406	F71-L392 HydrophobicContact CD1-CD1 3.71Å; F71-L392 HydrophobicContact CD1-CG 4.43Å; F71-L392 HydrophobicContact CE1-CD1 3.99Å; F71-L392 HydrophobicContact CE1-CG 4.45Å; L246-L392 HydrophobicContact CD1-CD2 3.71Å; L246-L392 HydrophobicContact CD2-CD2 4.14Å; V273-L392 HydrophobicContact CG1-CD2 4.07Å; L392-M396 HydrophobicContact CB-CB 4.16Å; L392-M396 HydrophobicContact CD2-CB 4.41Å; L392-M396 HydrophobicContact CD2-CE 4.27Å; L392-M396 HydrophobicContact CD2-SD 4.44Å; L392-R397 HydrophobicContact CB-CG 3.86Å; L392-R397 HydrophobicContact CD1-CG 4.23Å; L392-R397 VanDerWaalsContact O-CZ 3.24Å; L392-R397 PolarHBondContact O-NH1 3.34Å; L392-R397 PolarHBondContact O-NH2 2.94Å; L392-M403 HydrophobicContact CD1-CE 3.54Å; L392-M403 HydrophobicContact CD1-SD 3.54Å; L392-M403 VanDerWaalsContact CD1-SD 3.54Å; L392-L406 HydrophobicContact CD1-CD2 3.65Å; L392-L406 HydrophobicContact CD2-CD2 3.96Å; L392-L406 HydrophobicContact CG-CD2 4.32Å
393	T	77.2	Confident	84.7	Confident	30 Å²	30	50 Å²	50	18%	0.184	25%	0.246	C	C	.	.			trans	-67.5	162	165	63.4	0	0	0	0	110.5	K395 M396 R397	T393-K395 PolarHBondContact O-N 3.47Å; T393-K395 PolarHBondContact OG1-N 3.35Å; T393-M396 HydrophobicContact CG2-SD 4.32Å; T393-M396 PolarHBondContact O-N 3.09Å; T393-M396 VanDerWaalsContact O-N 3.14Å; T393-M396 VanDerWaalsContact OG1-CG 3.27Å; T393-M396 WeakPolarHBondContact OG1-CG 3.41Å; T393-M396 PolarHBondContact OG1-N 2.97Å; T393-R397 WeakPolarHBondContact O-CG 3.34Å; T393-R397 PolarHBondContact O-N 3.18Å
394	D	70.8	Confident	84.3	Confident	101 Å²	101	55.3 Å²	55.3	54%	0.54	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-27.9	171.7	-72.5	-24.5	0	0	0	112.3	R397 N398	D394-R397 PolarHBondContact O-N 2.9Å; D394-R397 WeakPolarHBondContact OD1-CD 3.07Å; D394-R397 IonicContact OD1-CZ 2.65Å; D394-R397 IonicContact OD1-NH1 3.17Å; D394-R397 PolarHBondContact OD1-NH1 3.32Å; D394-N398 WeakPolarHBondContact O-CB 3.42Å; D394-N398 PolarHBondContact O-N 3.5Å; D394-N398 VanDerWaalsContact O-N 3.09Å; D394-N398 PolarHBondContact O-ND2 3.08Å
395	K	76.4	Confident	83.9	Confident	183 Å²	183	57.6 Å²	57.6	80%	0.796	28%	0.282	S	S	*	.	H	α-helix	trans	-60.4	-49	170.1	-172.4	178.6	179.2	-177.8	0	111	T393 N398 D399	T393-K395 PolarHBondContact O-N 3.47Å; T393-K395 PolarHBondContact OG1-N 3.35Å; K395-N398 PolarHBondContact O-N 2.68Å; K395-D399 PolarHBondContact O-N 2.9Å
396	M	80.3	Confident	83.4	Confident	31 Å²	31	56.6 Å²	56.6	15%	0.153	28%	0.277	C	S	.	.	H	α-helix	trans	-65	-41.8	177.2	-68	167.5	100.9	0	0	112.5	L246 L392 T393 N398 D399 V402	L246-M396 HydrophobicContact CD1-CE 3.97Å; L246-M396 HydrophobicContact CD2-CE 3.55Å; L246-M396 HydrophobicContact CG-CE 3.77Å; L392-M396 HydrophobicContact CB-CB 4.16Å; L392-M396 HydrophobicContact CD2-CB 4.41Å; L392-M396 HydrophobicContact CD2-CE 4.27Å; L392-M396 HydrophobicContact CD2-SD 4.44Å; T393-M396 HydrophobicContact CG2-SD 4.32Å; T393-M396 PolarHBondContact O-N 3.09Å; T393-M396 VanDerWaalsContact O-N 3.14Å; T393-M396 VanDerWaalsContact OG1-CG 3.27Å; T393-M396 WeakPolarHBondContact OG1-CG 3.41Å; T393-M396 PolarHBondContact OG1-N 2.97Å; M396-N398 PolarHBondContact O-N 2.93Å; M396-D399 PolarHBondContact O-N 3.2Å; M396-D399 VanDerWaalsContact O-N 3.11Å; M396-V402 HydrophobicContact CB-CG1 4.22Å
397	R	78.7	Confident	83	Confident	86 Å²	86	56.8 Å²	56.8	33%	0.325	28%	0.28	S	S	.	.	H	α-helix	trans	-60.9	-30.2	176	-70.5	175	-179.2	131	4.1	113.2	L392 T393 D394 M403	L392-R397 HydrophobicContact CB-CG 3.86Å; L392-R397 HydrophobicContact CD1-CG 4.23Å; L392-R397 VanDerWaalsContact O-CZ 3.24Å; L392-R397 PolarHBondContact O-NH1 3.34Å; L392-R397 PolarHBondContact O-NH2 2.94Å; T393-R397 WeakPolarHBondContact O-CG 3.34Å; T393-R397 PolarHBondContact O-N 3.18Å; D394-R397 PolarHBondContact O-N 2.9Å; D394-R397 WeakPolarHBondContact OD1-CD 3.07Å; D394-R397 IonicContact OD1-CZ 2.65Å; D394-R397 IonicContact OD1-NH1 3.17Å; D394-R397 PolarHBondContact OD1-NH1 3.32Å; R397-M403 WeakPolarHBondContact O-CG 3.4Å
398	N	75.6	Confident	82.6	Confident	140 Å²	140	61.6 Å²	61.6	75%	0.749	31%	0.309	S	S	*	.	H	α-helix	trans	-88.3	-11.2	177.8	-74.1	-58	0	0	0	113.4	D394 K395 M396	D394-N398 WeakPolarHBondContact O-CB 3.42Å; D394-N398 PolarHBondContact O-N 3.5Å; D394-N398 VanDerWaalsContact O-N 3.09Å; D394-N398 PolarHBondContact O-ND2 3.08Å; K395-N398 PolarHBondContact O-N 2.68Å; M396-N398 PolarHBondContact O-N 2.93Å
399	D	82.6	Confident	82.4	Confident	69 Å²	69	61.6 Å²	61.6	37%	0.369	31%	0.311	S	S	.	.			trans	-82.6	117.2	175.8	-168	-50.4	0	0	0	110.8	K395 M396 N401 V402 M403	K395-D399 PolarHBondContact O-N 2.9Å; M396-D399 PolarHBondContact O-N 3.2Å; M396-D399 VanDerWaalsContact O-N 3.11Å; D399-N401 VanDerWaalsContact C-N 3.3Å; D399-N401 PolarHBondContact O-N 2.78Å; D399-N401 WeakPolarHBondContact OD1-CA 3.4Å; D399-N401 WeakPolarHBondContact OD1-CB 3.5Å; D399-N401 PolarHBondContact OD1-N 3.04Å; D399-V402 HydrophobicContact CB-CB 4.1Å; D399-V402 HydrophobicContact CB-CG2 3.72Å; D399-V402 PolarHBondContact OD1-N 2.86Å; D399-M403 VanDerWaalsContact O-CG 3.29Å; D399-M403 WeakPolarHBondContact O-CG 3.36Å; D399-M403 PolarHBondContact O-N 2.82Å; D399-M403 VanDerWaalsContact O-N 3.13Å
400	F	84.1	Confident	82.3	Confident	145 Å²	145	61.6 Å²	61.6	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-63.6	-33.3	-178.3	178.9	-97.8	0	0	0	113.3	K404	F400-K404 HydrophobicContact CE1-CB 4.47Å; F400-K404 HydrophobicContact CE1-CD 4.25Å; F400-K404 WeakPolarHBondContact O-CB 3.34Å; F400-K404 PolarHBondContact O-N 2.69Å
401	N	88.1	Confident	82.6	Confident	91 Å²	91	63.2 Å²	63.2	49%	0.487	32%	0.316	S	S	.	.	H	α-helix	trans	-73.8	-48	-177.4	-62.3	-34.6	0	0	0	110.3	D399 M403 K404 D405	D399-N401 VanDerWaalsContact C-N 3.3Å; D399-N401 PolarHBondContact O-N 2.78Å; D399-N401 WeakPolarHBondContact OD1-CA 3.4Å; D399-N401 WeakPolarHBondContact OD1-CB 3.5Å; D399-N401 PolarHBondContact OD1-N 3.04Å; N401-M403 VanDerWaalsContact C-N 3.3Å; N401-M403 PolarHBondContact O-N 2.85Å; N401-K404 PolarHBondContact O-N 3.47Å; N401-K404 VanDerWaalsContact O-N 3.12Å; N401-D405 PolarHBondContact O-N 3.44Å
402	V	86.6	Confident	83.2	Confident	8 Å²	8	62.8 Å²	62.8	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-53	-50.8	173.8	-178.3	0	0	0	0	110.1	H244 L246 M396 D399 K404 L406	H244-V402 HydrophobicContact CB-CG1 4.43Å; H244-V402 HydrophobicContact CB-CG2 4.4Å; H244-V402 WeakPolarHBondContact ND1-CG2 3.48Å; L246-V402 HydrophobicContact CD1-CG1 4.09Å; M396-V402 HydrophobicContact CB-CG1 4.22Å; D399-V402 HydrophobicContact CB-CB 4.1Å; D399-V402 HydrophobicContact CB-CG2 3.72Å; D399-V402 PolarHBondContact OD1-N 2.86Å; V402-K404 VanDerWaalsContact C-N 3.32Å; V402-K404 PolarHBondContact O-N 3.17Å; V402-L406 WeakPolarHBondContact O-CB 3.26Å; V402-L406 PolarHBondContact O-N 2.83Å
403	M	86.4	Confident	83.9	Confident	19 Å²	19	64.6 Å²	64.6	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-73.1	-21.5	-177.4	-59.3	-43.1	-60.8	0	0	114	I67 L392 R397 D399 N401 L406 A407	I67-M403 HydrophobicContact CD1-CE 3.19Å; L392-M403 HydrophobicContact CD1-CE 3.54Å; L392-M403 HydrophobicContact CD1-SD 3.54Å; L392-M403 VanDerWaalsContact CD1-SD 3.54Å; R397-M403 WeakPolarHBondContact O-CG 3.4Å; D399-M403 VanDerWaalsContact O-CG 3.29Å; D399-M403 WeakPolarHBondContact O-CG 3.36Å; D399-M403 PolarHBondContact O-N 2.82Å; D399-M403 VanDerWaalsContact O-N 3.13Å; N401-M403 VanDerWaalsContact C-N 3.3Å; N401-M403 PolarHBondContact O-N 2.85Å; M403-L406 HydrophobicContact CE-CD2 4.04Å; M403-L406 HydrophobicContact SD-CD2 4.37Å; M403-A407 WeakPolarHBondContact O-CB 3.47Å; M403-A407 PolarHBondContact O-N 2.91Å
404	K	87.3	Confident	84.7	Confident	114 Å²	114	63.5 Å²	63.5	50%	0.496	31%	0.312	S	S	.	.	H	α-helix	trans	-74.1	-52.6	173.8	176.2	-162.6	168.9	-145.5	0	110.3	F400 N401 V402 L406 A407 V408	F400-K404 HydrophobicContact CE1-CB 4.47Å; F400-K404 HydrophobicContact CE1-CD 4.25Å; F400-K404 WeakPolarHBondContact O-CB 3.34Å; F400-K404 PolarHBondContact O-N 2.69Å; N401-K404 PolarHBondContact O-N 3.47Å; N401-K404 VanDerWaalsContact O-N 3.12Å; V402-K404 VanDerWaalsContact C-N 3.32Å; V402-K404 PolarHBondContact O-N 3.17Å; K404-L406 VanDerWaalsContact C-N 3.35Å; K404-A407 WeakPolarHBondContact O-CB 3.17Å; K404-A407 PolarHBondContact O-N 2.93Å; K404-A407 VanDerWaalsContact O-N 3.09Å; K404-V408 PolarHBondContact O-N 2.96Å
405	D	86.7	Confident	85.7	Confident	48 Å²	48	62 Å²	62	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-66.5	-42.2	-175.6	-58.3	-20.6	0	0	0	109.9	H244 N401 A407 V408	H244-D405 IonicContact CD2-OD2 3.4Å; H244-D405 IonicContact CE1-OD2 2.67Å; H244-D405 IonicContact NE2-OD2 2.93Å; H244-D405 PolarHBondContact NE2-OD2 2.9Å; N401-D405 PolarHBondContact O-N 3.44Å; D405-A407 VanDerWaalsContact C-N 3.27Å; D405-A407 PolarHBondContact O-N 2.8Å; D405-V408 WeakPolarHBondContact O-CB 3.31Å; D405-V408 PolarHBondContact O-N 2.81Å; D405-V408 VanDerWaalsContact O-N 3.13Å
406	L	86.4	Confident	86.6	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-31.2	172.1	-175.8	57.2	0	0	0	113.8	F71 I241 L246 I248 V273 L392 V402 M403 K404 V408 T410	F71-L406 HydrophobicContact CD1-CD2 4.21Å; F71-L406 HydrophobicContact CE1-CD1 4.35Å; F71-L406 HydrophobicContact CE1-CD2 3.53Å; F71-L406 HydrophobicContact CE1-CG 4.13Å; F71-L406 HydrophobicContact CZ-CD1 3.97Å; F71-L406 HydrophobicContact CZ-CD2 3.9Å; F71-L406 HydrophobicContact CZ-CG 3.96Å; I241-L406 HydrophobicContact CD1-CD1 4.15Å; L246-L406 HydrophobicContact CD1-CD2 4.42Å; I248-L406 HydrophobicContact CD1-CD1 3.53Å; I248-L406 HydrophobicContact CG1-CD1 4.07Å; V273-L406 HydrophobicContact CG2-CD1 3.93Å; L392-L406 HydrophobicContact CD1-CD2 3.65Å; L392-L406 HydrophobicContact CD2-CD2 3.96Å; L392-L406 HydrophobicContact CG-CD2 4.32Å; V402-L406 WeakPolarHBondContact O-CB 3.26Å; V402-L406 PolarHBondContact O-N 2.83Å; M403-L406 HydrophobicContact CE-CD2 4.04Å; M403-L406 HydrophobicContact SD-CD2 4.37Å; K404-L406 VanDerWaalsContact C-N 3.35Å; L406-V408 VanDerWaalsContact C-N 3.32Å; L406-T410 HydrophobicContact CD1-CG2 4.11Å; L406-T410 WeakPolarHBondContact O-CB 3.32Å; L406-T410 VanDerWaalsContact O-CG2 3.29Å; L406-T410 WeakPolarHBondContact O-CG2 3.39Å; L406-T410 PolarHBondContact O-N 2.97Å; L406-T410 PolarHBondContact O-OG1 3Å
407	A	85	Confident	87.2	Confident	9 Å²	9	55.7 Å²	55.7	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-71.2	-24.9	176.9	0	0	0	0	0	113.1	M403 K404 D405 H409 T410 R411	M403-A407 WeakPolarHBondContact O-CB 3.47Å; M403-A407 PolarHBondContact O-N 2.91Å; K404-A407 WeakPolarHBondContact O-CB 3.17Å; K404-A407 PolarHBondContact O-N 2.93Å; K404-A407 VanDerWaalsContact O-N 3.09Å; D405-A407 VanDerWaalsContact C-N 3.27Å; D405-A407 PolarHBondContact O-N 2.8Å; A407-H409 VanDerWaalsContact C-N 3.3Å; A407-H409 PolarHBondContact O-N 2.9Å; A407-T410 PolarHBondContact O-N 3.36Å; A407-R411 HydrophobicContact CB-CG 4.06Å; A407-R411 VanDerWaalsContact O-CB 3.26Å; A407-R411 WeakPolarHBondContact O-CB 3.22Å; A407-R411 PolarHBondContact O-N 3.31Å
408	V	85.9	Confident	87.9	Confident	101 Å²	101	55 Å²	55	61%	0.612	28%	0.275	S	S	*	.	H	α-helix	trans	-58.9	-44.5	177.1	177.8	0	0	0	0	110.7	K404 D405 L406	K404-V408 PolarHBondContact O-N 2.96Å; D405-V408 WeakPolarHBondContact O-CB 3.31Å; D405-V408 PolarHBondContact O-N 2.81Å; D405-V408 VanDerWaalsContact O-N 3.13Å; L406-V408 VanDerWaalsContact C-N 3.32Å
409	H	84.1	Confident	88.7	Confident	70 Å²	70	56 Å²	56	32%	0.324	27%	0.268	S	S	.	.	H	α-helix	trans	-82.4	-28	-178.5	-57.8	-77.9	0	0	0	112.9	I248 H271 A407	I248-H409 HydrophobicContact CD1-CB 3.75Å; H271-H409 PolarHBondContact NE2-O 3Å; A407-H409 VanDerWaalsContact C-N 3.3Å; A407-H409 PolarHBondContact O-N 2.9Å
410	T	85.9	Confident	89.1	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-103.9	-16	-168.6	62.9	0	0	0	0	114.8	F71 I248 H271 L406 A407 L412	F71-T410 HydrophobicContact CE2-CG2 3.61Å; F71-T410 HydrophobicContact CZ-CG2 3.82Å; I248-T410 HydrophobicContact CD1-CG2 4.2Å; H271-T410 HydrophobicContact CB-CG2 4.17Å; L406-T410 HydrophobicContact CD1-CG2 4.11Å; L406-T410 WeakPolarHBondContact O-CB 3.32Å; L406-T410 VanDerWaalsContact O-CG2 3.29Å; L406-T410 WeakPolarHBondContact O-CG2 3.39Å; L406-T410 PolarHBondContact O-N 2.97Å; L406-T410 PolarHBondContact O-OG1 3Å; A407-T410 PolarHBondContact O-N 3.36Å; T410-L412 PolarHBondContact O-N 3.07Å
411	R	88.6	Confident	89.6	Confident	48 Å²	48	47.6 Å²	47.6	18%	0.181	23%	0.229	C	C	.	.			trans	-98.8	65.5	176.6	-67.9	-169.3	169.8	128.1	-1	113	L65 Q66 A407 T413	L65-R411 VanDerWaalsContact CD2-NH2 3.27Å; Q66-R411 PolarHBondContact O-NE 2.94Å; A407-R411 HydrophobicContact CB-CG 4.06Å; A407-R411 VanDerWaalsContact O-CB 3.26Å; A407-R411 WeakPolarHBondContact O-CB 3.22Å; A407-R411 PolarHBondContact O-N 3.31Å; R411-T413 PolarHBondContact O-N 2.67Å
412	L	91.4	Very high	89.8	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.079	22%	0.215	C	C	.	.			trans	-61.1	130.4	177.5	-51.7	178.4	0	0	0	112.5	V269 T410 Q416 R417 E420 G787 S788	V269-L412 HydrophobicContact CB-CD1 3.97Å; V269-L412 HydrophobicContact CG1-CD1 3.99Å; V269-L412 HydrophobicContact CG2-CD1 3.78Å; T410-L412 PolarHBondContact O-N 3.07Å; L412-Q416 HydrophobicContact CB-CB 4.02Å; L412-Q416 HydrophobicContact CD2-CB 4.31Å; L412-R417 HydrophobicContact CB-CB 4Å; L412-R417 HydrophobicContact CD1-CB 4.47Å; L412-E420 HydrophobicContact CD1-CB 4.1Å; L412-E420 HydrophobicContact CD1-CG 3.82Å; L412-G787 CarbonylContact O-C 3.59Å; L412-G787 VanDerWaalsContact O-CA 3.26Å; L412-G787 WeakPolarHBondContact O-CA 3.28Å; L412-S788 PolarHBondContact O-N 3.08Å; L412-S788 PolarHBondContact O-OG 2.66Å
413	T	93.4	Very high	90.1	Very high	48 Å²	48	48.4 Å²	48.4	29%	0.294	23%	0.23	S	C	.	.			trans	-62.8	166.3	166.4	76.8	0	0	0	0	110.9	R411 E415 Q416 R417 S788	R411-T413 PolarHBondContact O-N 2.67Å; T413-E415 VanDerWaalsContact C-N 3.31Å; T413-E415 WeakPolarHBondContact CB-OE2 3.43Å; T413-E415 PolarHBondContact O-N 3.36Å; T413-E415 PolarHBondContact OG1-OE2 3.12Å; T413-Q416 PolarHBondContact O-N 3.13Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.23Å; T413-Q416 PolarHBondContact OG1-N 3.43Å; T413-R417 VanDerWaalsContact O-CB 3.3Å; T413-R417 WeakPolarHBondContact O-CB 3.48Å; T413-R417 PolarHBondContact O-N 3.39Å; T413-S788 PolarHBondContact O-OG 3.36Å
414	P	93.7	Very high	90.4	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.039	23%	0.226	C	C	.	.	H	α-helix	trans	-49	-47.6	174.2	-32.5	39.9	0	0	0	114.2	R417 Q418 F749 L756 N758	P414-R417 PolarHBondContact O-N 3.24Å; P414-Q418 PolarHBondContact O-N 2.77Å; P414-F749 HydrophobicContact CB-CD1 3.75Å; P414-F749 HydrophobicContact CB-CE1 4.37Å; P414-F749 HydrophobicContact CG-CD1 4.49Å; P414-L756 HydrophobicContact CB-CB 4.26Å; P414-N758 WeakPolarHBondContact CG-OD1 3.3Å
415	E	93	Very high	90.6	Very high	71 Å²	71	42.2 Å²	42.2	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-69.9	-43.3	-178.9	-47	92	145	0	0	111.6	T413 Q418 R419 L756	T413-E415 VanDerWaalsContact C-N 3.31Å; T413-E415 WeakPolarHBondContact CB-OE2 3.43Å; T413-E415 PolarHBondContact O-N 3.36Å; T413-E415 PolarHBondContact OG1-OE2 3.12Å; E415-Q418 PolarHBondContact O-N 3.12Å; E415-R419 WeakPolarHBondContact O-CG 3.31Å; E415-R419 PolarHBondContact O-N 3.03Å; E415-R419 VanDerWaalsContact O-N 3.11Å; E415-L756 HydrophobicContact CG-CB 4.31Å; E415-L756 WeakPolarHBondContact CG-O 3.39Å
416	Q	93.7	Very high	90.9	Very high	71 Å²	71	43.6 Å²	43.6	33%	0.332	21%	0.21	S	C	.	.	H	α-helix	trans	-59.9	-47.5	174.3	-71	174.2	-24.4	0	0	110.6	L412 T413 Q418 R419 E420	L412-Q416 HydrophobicContact CB-CB 4.02Å; L412-Q416 HydrophobicContact CD2-CB 4.31Å; T413-Q416 PolarHBondContact O-N 3.13Å; T413-Q416 WeakPolarHBondContact OG1-CG 3.23Å; T413-Q416 PolarHBondContact OG1-N 3.43Å; Q416-Q418 PolarHBondContact O-N 3.19Å; Q416-R419 PolarHBondContact O-N 3.18Å; Q416-E420 WeakPolarHBondContact O-CG 3.44Å; Q416-E420 PolarHBondContact O-N 3.49Å
417	R	93.8	Very high	91.1	Very high	10 Å²	10	47 Å²	47	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-41.1	179.7	-173	173.2	-62.6	-85.3	-11.5	112	D268 V269 L412 T413 P414 R419 E420 V421 F749 S788	D268-R417 WeakPolarHBondContact OD1-CD 3.42Å; D268-R417 IonicContact OD1-CZ 3.68Å; D268-R417 IonicContact OD1-NE 2.95Å; D268-R417 IonicContact OD1-NH1 2.68Å; D268-R417 PolarHBondContact OD1-NH1 3.08Å; D268-R417 IonicContact OD2-NH1 3.75Å; D268-R417 PolarHBondContact OD2-NH1 3.43Å; V269-R417 HydrophobicContact CG2-CG 4.27Å; L412-R417 HydrophobicContact CB-CB 4Å; L412-R417 HydrophobicContact CD1-CB 4.47Å; T413-R417 VanDerWaalsContact O-CB 3.3Å; T413-R417 WeakPolarHBondContact O-CB 3.48Å; T413-R417 PolarHBondContact O-N 3.39Å; P414-R417 PolarHBondContact O-N 3.24Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 2.99Å; R417-E420 PolarHBondContact O-N 3.15Å; R417-V421 HydrophobicContact CG-CG2 4.2Å; R417-V421 VanDerWaalsContact O-CB 3.26Å; R417-V421 WeakPolarHBondContact O-CB 3.38Å; R417-V421 WeakPolarHBondContact O-CG2 3.29Å; R417-V421 PolarHBondContact O-N 2.86Å; R417-F749 HydrophobicContact CB-CE1 4.41Å; R417-F749 HydrophobicContact CB-CZ 4.38Å; R417-F749 HydrophobicContact CG-CE1 4.48Å; R417-F749 HydrophobicContact CG-CZ 4.12Å; R417-S788 PolarHBondContact NE-OG 3.46Å
418	Q	92.4	Very high	91.4	Very high	72 Å²	72	46.7 Å²	46.7	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-55.7	-49.3	172.8	171.4	179.5	37.9	0	0	111	P414 E415 Q416 V421 G422 L449 L756	P414-Q418 PolarHBondContact O-N 2.77Å; E415-Q418 PolarHBondContact O-N 3.12Å; Q416-Q418 PolarHBondContact O-N 3.19Å; Q418-V421 PolarHBondContact O-N 3.37Å; Q418-G422 PolarHBondContact O-N 3.5Å; Q418-L449 HydrophobicContact CB-CD1 4.28Å; Q418-L449 HydrophobicContact CG-CD1 3.74Å; Q418-L756 HydrophobicContact CB-CD1 4.08Å; Q418-L756 VanDerWaalsContact CD-CD1 3.45Å; Q418-L756 HydrophobicContact CG-CD1 4.27Å
419	R	92.7	Very high	91.6	Very high	160 Å²	160	45.1 Å²	45.1	60%	0.604	21%	0.206	S	C	*	.	H	α-helix	trans	-63	-47.9	-179.1	-68.1	-173.5	-54.2	-150.9	6.4	111.8	E415 Q416 R417 V421 G422 R423	E415-R419 WeakPolarHBondContact O-CG 3.31Å; E415-R419 PolarHBondContact O-N 3.03Å; E415-R419 VanDerWaalsContact O-N 3.11Å; Q416-R419 PolarHBondContact O-N 3.18Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 2.99Å; R419-V421 PolarHBondContact O-N 2.99Å; R419-G422 WeakPolarHBondContact O-CA 3.44Å; R419-G422 PolarHBondContact O-N 3.39Å; R419-G422 VanDerWaalsContact O-N 3.11Å; R419-R423 PolarHBondContact O-N 2.8Å
420	E	92.5	Very high	91.9	Very high	37 Å²	37	49.6 Å²	49.6	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-41.1	178.1	-65.3	-45.6	122.5	0	0	112.2	F252 V269 L412 Q416 R417 G422 R423	F252-E420 WeakPolarHBondContact CE1-O 3.29Å; V269-E420 HydrophobicContact CG1-CB 4.42Å; V269-E420 HydrophobicContact CG2-CB 3.54Å; L412-E420 HydrophobicContact CD1-CB 4.1Å; L412-E420 HydrophobicContact CD1-CG 3.82Å; Q416-E420 WeakPolarHBondContact O-CG 3.44Å; Q416-E420 PolarHBondContact O-N 3.49Å; R417-E420 PolarHBondContact O-N 3.15Å; E420-G422 VanDerWaalsContact C-N 3.33Å; E420-G422 PolarHBondContact O-N 3.3Å; E420-R423 VanDerWaalsContact CD-CZ 3.45Å; E420-R423 WeakPolarHBondContact O-CB 3.27Å; E420-R423 PolarHBondContact O-N 2.99Å; E420-R423 IonicContact OE1-CZ 2.68Å; E420-R423 IonicContact OE1-NE 2.86Å; E420-R423 PolarHBondContact OE1-NE 2.93Å; E420-R423 IonicContact OE1-NH2 3.45Å; E420-R423 PolarHBondContact OE1-NH2 2.73Å; E420-R423 WeakPolarHBondContact OE2-CD 3.33Å; E420-R423 IonicContact OE2-CZ 3.44Å; E420-R423 IonicContact OE2-NE 3.77Å; E420-R423 PolarHBondContact OE2-NE 3.23Å; E420-R423 IonicContact OE2-NH1 3.73Å; E420-R423 PolarHBondContact OE2-NH1 2.89Å; E420-R423 IonicContact OE2-NH2 3.41Å; E420-R423 PolarHBondContact OE2-NH2 3.28Å
421	V	93.6	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.8	-39.8	172.2	164.6	0	0	0	0	111.5	N117 F119 T267 V269 R417 Q418 R419 R423 L424 L449	N117-V421 HydrophobicContact CB-CG1 4.12Å; N117-V421 HydrophobicContact CB-CG2 4.41Å; F119-V421 HydrophobicContact CE2-CG1 3.76Å; F119-V421 HydrophobicContact CZ-CG1 4.05Å; T267-V421 HydrophobicContact CG2-CG1 3.95Å; V269-V421 HydrophobicContact CG2-CG2 3.88Å; R417-V421 HydrophobicContact CG-CG2 4.2Å; R417-V421 VanDerWaalsContact O-CB 3.26Å; R417-V421 WeakPolarHBondContact O-CB 3.38Å; R417-V421 WeakPolarHBondContact O-CG2 3.29Å; R417-V421 PolarHBondContact O-N 2.86Å; Q418-V421 PolarHBondContact O-N 3.37Å; R419-V421 PolarHBondContact O-N 2.99Å; V421-R423 VanDerWaalsContact C-N 3.34Å; V421-R423 PolarHBondContact O-N 2.89Å; V421-L424 PolarHBondContact O-N 3Å; V421-L449 HydrophobicContact CG1-CD2 3.97Å
422	G	93	Very high	92.6	Very high	19 Å²	19	54.7 Å²	54.7	20%	0.196	26%	0.255	C	S	.	.	H	α-helix	trans	-62	-35.7	175.9	0	0	0	0	0	113.7	Q418 R419 E420 L424 I425 D426	Q418-G422 PolarHBondContact O-N 3.5Å; R419-G422 WeakPolarHBondContact O-CA 3.44Å; R419-G422 PolarHBondContact O-N 3.39Å; R419-G422 VanDerWaalsContact O-N 3.11Å; E420-G422 VanDerWaalsContact C-N 3.33Å; E420-G422 PolarHBondContact O-N 3.3Å; G422-L424 PolarHBondContact O-N 2.98Å; G422-L424 VanDerWaalsContact O-N 3.08Å; G422-I425 WeakPolarHBondContact O-CA 3.42Å; G422-I425 WeakPolarHBondContact O-CB 3.29Å; G422-I425 PolarHBondContact O-N 3.44Å; G422-D426 PolarHBondContact O-N 2.98Å
423	R	91.9	Very high	92.7	Very high	98 Å²	98	58 Å²	58	37%	0.37	27%	0.274	S	S	.	.	H	α-helix	trans	-54.3	-32	178.7	-66.9	-175.4	-173.3	-170.7	9.2	113.4	R419 E420 V421 I425 D426 Y427	R419-R423 PolarHBondContact O-N 2.8Å; E420-R423 VanDerWaalsContact CD-CZ 3.45Å; E420-R423 WeakPolarHBondContact O-CB 3.27Å; E420-R423 PolarHBondContact O-N 2.99Å; E420-R423 IonicContact OE1-CZ 2.68Å; E420-R423 IonicContact OE1-NE 2.86Å; E420-R423 PolarHBondContact OE1-NE 2.93Å; E420-R423 IonicContact OE1-NH2 3.45Å; E420-R423 PolarHBondContact OE1-NH2 2.73Å; E420-R423 WeakPolarHBondContact OE2-CD 3.33Å; E420-R423 IonicContact OE2-CZ 3.44Å; E420-R423 IonicContact OE2-NE 3.77Å; E420-R423 PolarHBondContact OE2-NE 3.23Å; E420-R423 IonicContact OE2-NH1 3.73Å; E420-R423 PolarHBondContact OE2-NH1 2.89Å; E420-R423 IonicContact OE2-NH2 3.41Å; E420-R423 PolarHBondContact OE2-NH2 3.28Å; V421-R423 VanDerWaalsContact C-N 3.34Å; V421-R423 PolarHBondContact O-N 2.89Å; R423-I425 VanDerWaalsContact C-N 3.34Å; R423-D426 PolarHBondContact O-N 3.04Å; R423-Y427 HydrophobicContact CB-CE2 4.41Å; R423-Y427 WeakPolarHBondContact O-CD2 3.35Å; R423-Y427 PolarHBondContact O-N 3.42Å
424	L	92.5	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-39.3	176.6	-179.9	60	0	0	0	112	F216 L220 M223 L225 F252 T254 T267 V421 G422 Y427 I428	F216-L424 HydrophobicContact CZ-CD2 4.24Å; L220-L424 HydrophobicContact CD2-CD1 3.85Å; M223-L424 HydrophobicContact CE-CD1 3.96Å; L225-L424 HydrophobicContact CD1-CD1 4.34Å; F252-L424 HydrophobicContact CB-CD2 4.14Å; F252-L424 HydrophobicContact CD1-CB 4.06Å; F252-L424 HydrophobicContact CD1-CD2 4.19Å; F252-L424 HydrophobicContact CD2-CB 4.29Å; F252-L424 HydrophobicContact CD2-CD1 3.89Å; F252-L424 HydrophobicContact CD2-CD2 4.34Å; F252-L424 HydrophobicContact CD2-CG 4.4Å; F252-L424 HydrophobicContact CE1-CB 3.84Å; F252-L424 HydrophobicContact CE2-CB 4.08Å; F252-L424 HydrophobicContact CE2-CD1 4.1Å; F252-L424 HydrophobicContact CG-CB 4.28Å; F252-L424 HydrophobicContact CG-CD1 4.33Å; F252-L424 HydrophobicContact CG-CD2 3.94Å; F252-L424 HydrophobicContact CG-CG 4.42Å; F252-L424 HydrophobicContact CZ-CB 3.85Å; T254-L424 HydrophobicContact CG2-CD2 3.94Å; T267-L424 HydrophobicContact CG2-CD2 4.06Å; T267-L424 WeakPolarHBondContact OG1-CD2 3.5Å; V421-L424 PolarHBondContact O-N 3Å; G422-L424 PolarHBondContact O-N 2.98Å; G422-L424 VanDerWaalsContact O-N 3.08Å; L424-Y427 PolarHBondContact O-N 2.63Å; L424-I428 HydrophobicContact CG-CD1 4.32Å; L424-I428 WeakPolarHBondContact O-CG1 3.47Å; L424-I428 PolarHBondContact O-N 2.8Å
425	I	93	Very high	92.7	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-72	-36.7	175.4	-62.5	-54.9	0	0	0	110.5	F119 L265 G422 R423 Y427 I428 H429 F445	F119-I425 HydrophobicContact CB-CD1 4.42Å; F119-I425 HydrophobicContact CD1-CD1 4.25Å; F119-I425 HydrophobicContact CD1-CG1 3.75Å; F119-I425 HydrophobicContact CD2-CD1 3.92Å; F119-I425 HydrophobicContact CD2-CG1 3.79Å; F119-I425 HydrophobicContact CE1-CB 4.35Å; F119-I425 HydrophobicContact CE1-CD1 4.45Å; F119-I425 HydrophobicContact CE1-CG1 3.49Å; F119-I425 VanDerWaalsContact CE1-CG1 3.49Å; F119-I425 HydrophobicContact CE2-CD1 4.14Å; F119-I425 HydrophobicContact CE2-CG1 3.54Å; F119-I425 HydrophobicContact CG-CD1 3.95Å; F119-I425 HydrophobicContact CG-CG1 3.87Å; F119-I425 HydrophobicContact CZ-CB 4.34Å; F119-I425 HydrophobicContact CZ-CD1 4.38Å; F119-I425 HydrophobicContact CZ-CG1 3.37Å; L265-I425 HydrophobicContact CD2-CD1 4.3Å; G422-I425 WeakPolarHBondContact O-CA 3.42Å; G422-I425 WeakPolarHBondContact O-CB 3.29Å; G422-I425 PolarHBondContact O-N 3.44Å; R423-I425 VanDerWaalsContact C-N 3.34Å; I425-Y427 PolarHBondContact O-N 3.31Å; I425-I428 HydrophobicContact CD1-CD1 4.16Å; I425-I428 PolarHBondContact O-N 3.46Å; I425-H429 WeakPolarHBondContact CG2-CE1 3.1Å; I425-H429 WeakPolarHBondContact CG2-ND1 3.47Å; I425-H429 PolarHBondContact O-N 2.99Å; I425-H429 PolarHBondContact O-ND1 3.37Å; I425-F445 HydrophobicContact CD1-CB 4.26Å
426	D	91.3	Very high	92.7	Very high	76 Å²	76	59.6 Å²	59.6	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-42.3	171.7	-64.9	-29.7	0	0	0	112.1	G422 R423 I428 H429 K430	G422-D426 PolarHBondContact O-N 2.98Å; R423-D426 PolarHBondContact O-N 3.04Å; D426-I428 VanDerWaalsContact C-N 3.33Å; D426-H429 PolarHBondContact O-N 3.04Å; D426-K430 VanDerWaalsContact O-CB 3.29Å; D426-K430 WeakPolarHBondContact O-CB 3.39Å; D426-K430 VanDerWaalsContact O-CG 3.23Å; D426-K430 WeakPolarHBondContact O-CG 3.44Å; D426-K430 PolarHBondContact O-N 3.45Å
427	Y	90.8	Very high	92.6	Very high	74 Å²	74	57.1 Å²	57.1	29%	0.29	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-39.6	174.6	-62.7	-30.7	0	0	0	111.8	M223 F252 R423 L424 I425 N431	M223-Y427 VanDerWaalsContact SD-C 3.56Å; M223-Y427 VanDerWaalsContact SD-CB 3.59Å; F252-Y427 HydrophobicContact CE2-CD2 4.41Å; F252-Y427 HydrophobicContact CE2-CE2 4.14Å; F252-Y427 HydrophobicContact CZ-CE2 4.41Å; R423-Y427 HydrophobicContact CB-CE2 4.41Å; R423-Y427 WeakPolarHBondContact O-CD2 3.35Å; R423-Y427 PolarHBondContact O-N 3.42Å; L424-Y427 PolarHBondContact O-N 2.63Å; I425-Y427 PolarHBondContact O-N 3.31Å; Y427-N431 WeakPolarHBondContact O-CB 3.49Å; Y427-N431 PolarHBondContact O-N 3.23Å
428	I	91.8	Very high	92.6	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-42.6	176	-75.4	166.8	0	0	0	111	F216 M223 L424 I425 D426 V434 Q435 L438 F445	F216-I428 HydrophobicContact CE2-CD1 3.75Å; F216-I428 HydrophobicContact CZ-CD1 4.04Å; M223-I428 HydrophobicContact CE-CD1 4.44Å; M223-I428 HydrophobicContact CE-CG1 3.76Å; M223-I428 HydrophobicContact SD-CG1 3.78Å; L424-I428 HydrophobicContact CG-CD1 4.32Å; L424-I428 WeakPolarHBondContact O-CG1 3.47Å; L424-I428 PolarHBondContact O-N 2.8Å; I425-I428 HydrophobicContact CD1-CD1 4.16Å; I425-I428 PolarHBondContact O-N 3.46Å; D426-I428 VanDerWaalsContact C-N 3.33Å; I428-V434 HydrophobicContact CB-CG1 4.25Å; I428-V434 HydrophobicContact CG1-CG1 4.22Å; I428-V434 HydrophobicContact CG2-CG1 3.93Å; I428-Q435 WeakPolarHBondContact O-CG 3.43Å; I428-Q435 PolarHBondContact O-NE2 3.12Å; I428-L438 HydrophobicContact CG2-CD1 3.73Å; I428-F445 HydrophobicContact CD1-CD2 4.46Å; I428-F445 HydrophobicContact CG2-CD2 4.37Å
429	H	90.3	Very high	92.6	Very high	69 Å²	69	60.4 Å²	60.4	32%	0.319	27%	0.27	S	S	.	.	H	α-helix	trans	-74.7	-35.6	180	-70.9	140.9	0	0	0	113.8	I425 D426 S447	I425-H429 WeakPolarHBondContact CG2-CE1 3.1Å; I425-H429 WeakPolarHBondContact CG2-ND1 3.47Å; I425-H429 PolarHBondContact O-N 2.99Å; I425-H429 PolarHBondContact O-ND1 3.37Å; D426-H429 PolarHBondContact O-N 3.04Å; H429-S447 PolarHBondContact CE1-OG 3.4Å
430	K	91.6	Very high	92.5	Very high	164 Å²	164	56.3 Å²	56.3	71%	0.713	26%	0.26	S	S	*	.	H	α-helix	trans	-78.7	-14	-178.6	-70.8	172.3	-177.8	175.9	0	114.5	D426	D426-K430 VanDerWaalsContact O-CB 3.29Å; D426-K430 WeakPolarHBondContact O-CB 3.39Å; D426-K430 VanDerWaalsContact O-CG 3.23Å; D426-K430 WeakPolarHBondContact O-CG 3.44Å; D426-K430 PolarHBondContact O-N 3.45Å
431	N	93.6	Very high	92.5	Very high	40 Å²	40	54.5 Å²	54.5	21%	0.214	25%	0.252	C	S	.	.			trans	-99.5	105	-177.3	-173.7	-44.2	0	0	0	111.1	I222 Y427 N433 V434 Q435	I222-N431 PolarHBondContact O-ND2 3.45Å; Y427-N431 WeakPolarHBondContact O-CB 3.49Å; Y427-N431 PolarHBondContact O-N 3.23Å; N431-N433 PolarHBondContact O-N 2.92Å; N431-N433 VanDerWaalsContact O-N 3.15Å; N431-N433 WeakPolarHBondContact OD1-CB 3.46Å; N431-N433 PolarHBondContact OD1-N 2.9Å; N431-N433 VanDerWaalsContact OD1-N 3.1Å; N431-V434 HydrophobicContact CB-CB 4.05Å; N431-V434 HydrophobicContact CB-CG2 3.87Å; N431-V434 WeakPolarHBondContact O-CB 3.42Å; N431-V434 PolarHBondContact O-N 3.44Å; N431-V434 PolarHBondContact OD1-N 3.08Å; N431-Q435 PolarHBondContact O-N 3.34Å
432	D	94.3	Very high	92.3	Very high	114 Å²	114	55.1 Å²	55.1	61%	0.61	26%	0.258	S	S	*	.	H	α-helix	trans	-56.3	-32.2	-177.9	-72.5	-41.8	0	0	0	114.3	R436	D432-R436 VanDerWaalsContact O-CB 3.31Å; D432-R436 WeakPolarHBondContact O-CB 3.38Å; D432-R436 PolarHBondContact O-N 2.89Å
433	N	94.1	Very high	92.3	Very high	86 Å²	86	54.7 Å²	54.7	46%	0.46	25%	0.251	S	S	.	.	H	α-helix	trans	-73.3	-37.3	178.8	-64.8	-42.9	0	0	0	111.4	I222 N431 R436 E437	I222-N433 HydrophobicContact CG2-CB 3.64Å; N431-N433 PolarHBondContact O-N 2.92Å; N431-N433 VanDerWaalsContact O-N 3.15Å; N431-N433 WeakPolarHBondContact OD1-CB 3.46Å; N431-N433 PolarHBondContact OD1-N 2.9Å; N431-N433 VanDerWaalsContact OD1-N 3.1Å; N433-R436 PolarHBondContact OD1-NH1 3.15Å; N433-E437 WeakPolarHBondContact O-CB 3.28Å; N433-E437 PolarHBondContact O-N 2.79Å; N433-E437 VanDerWaalsContact O-N 3.07Å
434	V	93.7	Very high	92.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-44.5	171.4	174	0	0	0	0	110.6	L219 I222 M223 I428 N431 R436 E437 L438	L219-V434 HydrophobicContact CB-CG1 4.16Å; L219-V434 HydrophobicContact CD1-CG1 4.22Å; L219-V434 HydrophobicContact CD2-CG1 4.17Å; L219-V434 HydrophobicContact CG-CG1 4.38Å; I222-V434 HydrophobicContact CB-CG2 3.94Å; I222-V434 HydrophobicContact CG2-CG2 3.69Å; M223-V434 HydrophobicContact CG-CG2 3.58Å; M223-V434 HydrophobicContact SD-CG2 4.21Å; I428-V434 HydrophobicContact CB-CG1 4.25Å; I428-V434 HydrophobicContact CG1-CG1 4.22Å; I428-V434 HydrophobicContact CG2-CG1 3.93Å; N431-V434 HydrophobicContact CB-CB 4.05Å; N431-V434 HydrophobicContact CB-CG2 3.87Å; N431-V434 WeakPolarHBondContact O-CB 3.42Å; N431-V434 PolarHBondContact O-N 3.44Å; N431-V434 PolarHBondContact OD1-N 3.08Å; V434-R436 PolarHBondContact O-N 3.11Å; V434-E437 PolarHBondContact O-N 2.83Å; V434-L438 HydrophobicContact CG1-CD1 4.12Å; V434-L438 WeakPolarHBondContact O-CB 3.33Å; V434-L438 PolarHBondContact O-N 3.22Å
435	Q	94.2	Very high	92.5	Very high	37 Å²	37	53.5 Å²	53.5	17%	0.173	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-38.2	177.5	-73.7	-59.8	-56.5	0	0	112.5	I428 N431 R439	I428-Q435 WeakPolarHBondContact O-CG 3.43Å; I428-Q435 PolarHBondContact O-NE2 3.12Å; N431-Q435 PolarHBondContact O-N 3.34Å; Q435-R439 WeakPolarHBondContact O-CB 3.4Å; Q435-R439 WeakPolarHBondContact O-CG 3.34Å; Q435-R439 PolarHBondContact O-N 3.42Å
436	R	92.4	Very high	92.5	Very high	121 Å²	121	55.9 Å²	55.9	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-51.9	173.5	-166.7	-175.4	-58	111.1	4.2	111.1	D432 N433 V434 L438 R439 D440	D432-R436 VanDerWaalsContact O-CB 3.31Å; D432-R436 WeakPolarHBondContact O-CB 3.38Å; D432-R436 PolarHBondContact O-N 2.89Å; N433-R436 PolarHBondContact OD1-NH1 3.15Å; V434-R436 PolarHBondContact O-N 3.11Å; R436-L438 VanDerWaalsContact C-N 3.31Å; R436-L438 PolarHBondContact O-N 3.14Å; R436-R439 PolarHBondContact O-N 3.38Å; R436-D440 WeakPolarHBondContact O-CB 3.36Å; R436-D440 PolarHBondContact O-N 3.44Å
437	E	91.8	Very high	92.4	Very high	18 Å²	18	56 Å²	56	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-55.4	-45.3	177.6	-175.4	81.4	-149.8	0	0	111.8	R218 L219 I222 N433 V434 D440 W441	R218-E437 IonicContact CZ-OE1 2.85Å; R218-E437 IonicContact CZ-OE2 3.62Å; R218-E437 IonicContact NE-OE1 2.82Å; R218-E437 PolarHBondContact NE-OE1 3.07Å; R218-E437 IonicContact NE-OE2 3.96Å; R218-E437 PolarHBondContact NE-OE2 2.92Å; R218-E437 IonicContact NH1-OE1 3.72Å; R218-E437 PolarHBondContact NH1-OE1 2.61Å; R218-E437 IonicContact NH2-OE1 3.89Å; R218-E437 PolarHBondContact NH2-OE1 3.29Å; R218-E437 IonicContact NH2-OE2 3.58Å; R218-E437 PolarHBondContact NH2-OE2 2.95Å; L219-E437 HydrophobicContact CD2-CB 3.93Å; L219-E437 HydrophobicContact CD2-CG 3.6Å; I222-E437 HydrophobicContact CD1-CB 4.48Å; N433-E437 WeakPolarHBondContact O-CB 3.28Å; N433-E437 PolarHBondContact O-N 2.79Å; N433-E437 VanDerWaalsContact O-N 3.07Å; V434-E437 PolarHBondContact O-N 2.83Å; E437-D440 PolarHBondContact O-N 3.18Å; E437-W441 PolarHBondContact O-N 3.14Å; E437-W441 VanDerWaalsContact O-N 3.13Å; E437-W441 PolarHBondContact OE1-NE1 2.87Å
438	L	92.6	Very high	92.4	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-47.9	176.6	-83.4	172.9	0	0	0	112.7	L219 I428 V434 R436 W441 G442 L443 F445	L219-L438 HydrophobicContact CD1-CD1 4.07Å; L219-L438 HydrophobicContact CD1-CD2 3.72Å; L219-L438 HydrophobicContact CD1-CG 3.79Å; L219-L438 HydrophobicContact CD2-CG 4.44Å; I428-L438 HydrophobicContact CG2-CD1 3.73Å; V434-L438 HydrophobicContact CG1-CD1 4.12Å; V434-L438 WeakPolarHBondContact O-CB 3.33Å; V434-L438 PolarHBondContact O-N 3.22Å; R436-L438 VanDerWaalsContact C-N 3.31Å; R436-L438 PolarHBondContact O-N 3.14Å; L438-W441 CarbonylContact O-C 3.57Å; L438-W441 PolarHBondContact O-N 2.68Å; L438-G442 PolarHBondContact O-N 2.61Å; L438-L443 CarbonylContact C-O 3.54Å; L438-L443 WeakPolarHBondContact CB-O 3.44Å; L438-L443 HydrophobicContact CD2-CB 3.98Å; L438-L443 PolarHBondContact O-N 3.26Å; L438-F445 HydrophobicContact CD1-CD2 4.23Å; L438-F445 HydrophobicContact CD1-CE2 4.36Å; L438-F445 HydrophobicContact CD2-CD2 4.46Å; L438-F445 HydrophobicContact CD2-CE2 4.03Å
439	R	92.2	Very high	92.4	Very high	145 Å²	145	59.4 Å²	59.4	55%	0.547	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-41.7	177.6	-75.9	-172.3	-59.4	-102.2	0.9	112.7	Q435 R436 W441 G442	Q435-R439 WeakPolarHBondContact O-CB 3.4Å; Q435-R439 WeakPolarHBondContact O-CG 3.34Å; Q435-R439 PolarHBondContact O-N 3.42Å; R436-R439 PolarHBondContact O-N 3.38Å; R439-W441 VanDerWaalsContact C-N 3.31Å; R439-W441 PolarHBondContact O-N 2.8Å; R439-G442 WeakPolarHBondContact O-CA 3.39Å; R439-G442 PolarHBondContact O-N 3.33Å
440	D	91.2	Very high	92.7	Very high	74 Å²	74	56.5 Å²	56.5	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-38.8	-179.5	-65	-18.3	0	0	0	111.1	C160 R436 E437 G442	C160-D440 HydrophobicContact CB-CB 3.74Å; C160-D440 VanDerWaalsContact SG-C 3.53Å; C160-D440 VanDerWaalsContact SG-CB 3.55Å; R436-D440 WeakPolarHBondContact O-CB 3.36Å; R436-D440 PolarHBondContact O-N 3.44Å; E437-D440 PolarHBondContact O-N 3.18Å; D440-G442 VanDerWaalsContact C-N 3.25Å; D440-G442 PolarHBondContact O-N 2.76Å
441	W	91.9	Very high	92.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-73	-12	169.5	-77.3	110.1	0	0	0	113.8	W127 L129 C160 H161 A162 F169 P171 F211 I215 E437 L438 R439 L443	W127-W441 PolarHBondContact NE1-O 2.85Å; L129-W441 HydrophobicContact CD1-CE3 4.37Å; L129-W441 HydrophobicContact CD1-CZ3 3.74Å; C160-W441 VanDerWaalsContact SG-CD1 3.59Å; C160-W441 PolarHBondContact SG-NE1 2.87Å; C160-W441 VanDerWaalsContact SG-NE1 3.44Å; H161-W441 VanDerWaalsContact C-CZ2 3.49Å; A162-W441 HydrophobicContact CB-CH2 4.1Å; A162-W441 HydrophobicContact CB-CZ2 4Å; F169-W441 WeakPolarHBondContact O-CH2 3.34Å; P171-W441 HydrophobicContact CB-CE3 3.72Å; P171-W441 HydrophobicContact CB-CZ3 4.04Å; P171-W441 HydrophobicContact CG-CE3 4.1Å; P171-W441 HydrophobicContact CG-CZ3 4.19Å; F211-W441 HydrophobicContact CE1-CE3 4.2Å; F211-W441 HydrophobicContact CE1-CZ3 4.34Å; F211-W441 HydrophobicContact CE2-CE3 4.24Å; F211-W441 AromaticContact CE2-CH2 3.53Å; F211-W441 HydrophobicContact CE2-CH2 3.53Å; F211-W441 AromaticContact CE2-CZ2 3.9Å; F211-W441 HydrophobicContact CE2-CZ2 3.9Å; F211-W441 AromaticContact CE2-CZ3 3.72Å; F211-W441 HydrophobicContact CE2-CZ3 3.72Å; F211-W441 AromaticContact CZ-CD2 3.73Å; F211-W441 HydrophobicContact CZ-CD2 3.73Å; F211-W441 AromaticContact CZ-CE2 3.94Å; F211-W441 AromaticContact CZ-CE3 3.4Å; F211-W441 HydrophobicContact CZ-CE3 3.4Å; F211-W441 VanDerWaalsContact CZ-CE3 3.4Å; F211-W441 AromaticContact CZ-CH2 3.57Å; F211-W441 HydrophobicContact CZ-CH2 3.57Å; F211-W441 AromaticContact CZ-CZ2 3.88Å; F211-W441 HydrophobicContact CZ-CZ2 3.88Å; F211-W441 AromaticContact CZ-CZ3 3.32Å; F211-W441 HydrophobicContact CZ-CZ3 3.32Å; I215-W441 HydrophobicContact CD1-CD2 4.4Å; I215-W441 HydrophobicContact CD1-CZ2 3.79Å; E437-W441 PolarHBondContact O-N 3.14Å; E437-W441 VanDerWaalsContact O-N 3.13Å; E437-W441 PolarHBondContact OE1-NE1 2.87Å; L438-W441 CarbonylContact O-C 3.57Å; L438-W441 PolarHBondContact O-N 2.68Å; R439-W441 VanDerWaalsContact C-N 3.31Å; R439-W441 PolarHBondContact O-N 2.8Å; W441-L443 HydrophobicContact CB-CD1 4.02Å; W441-L443 HydrophobicContact CB-CG 4.07Å
442	G	91	Very high	92.9	Very high	13 Å²	13	50 Å²	50	13%	0.134	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	33.3	-177.6	0	0	0	0	0	114.1	S123 R124 L438 R439 D440	S123-G442 WeakPolarHBondContact CA-O 3.36Å; R124-G442 PolarHBondContact N-O 2.99Å; L438-G442 PolarHBondContact O-N 2.61Å; R439-G442 WeakPolarHBondContact O-CA 3.39Å; R439-G442 PolarHBondContact O-N 3.33Å; D440-G442 VanDerWaalsContact C-N 3.25Å; D440-G442 PolarHBondContact O-N 2.76Å
443	L	93.3	Very high	93	Very high	10 Å²	10	47.2 Å²	47.2	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.5	-176.1	-59.5	177.7	0	0	0	111.7	L121 T122 W127 Y212 L438 W441	L121-L443 HydrophobicContact CD1-CB 4.13Å; L121-L443 HydrophobicContact CD1-CD2 4.43Å; T122-L443 CarbonylContact O-C 3.57Å; T122-L443 WeakPolarHBondContact O-CA 3.43Å; W127-L443 HydrophobicContact CZ2-CD2 4.13Å; Y212-L443 HydrophobicContact CD1-CD1 3.87Å; Y212-L443 HydrophobicContact CE1-CD1 3.81Å; Y212-L443 HydrophobicContact CE1-CD2 3.8Å; Y212-L443 HydrophobicContact CE1-CG 4.49Å; L438-L443 CarbonylContact C-O 3.54Å; L438-L443 WeakPolarHBondContact CB-O 3.44Å; L438-L443 HydrophobicContact CD2-CB 3.98Å; L438-L443 PolarHBondContact O-N 3.26Å; W441-L443 HydrophobicContact CB-CD1 4.02Å; W441-L443 HydrophobicContact CB-CG 4.07Å
444	S	93.1	Very high	93.2	Very high	59 Å²	59	43.2 Å²	43.2	41%	0.413	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	159.6	174.5	42.8	0	0	0	0	111.5	L121 T122	L121-S444 WeakPolarHBondContact CD1-O 3.36Å; T122-S444 PolarHBondContact N-O 3.19Å; T122-S444 PolarHBondContact O-N 2.92Å; T122-S444 PolarHBondContact OG1-O 2.9Å; T122-S444 PolarHBondContact OG1-OG 3.08Å
445	F	93.6	Very high	93.4	Very high	13 Å²	13	44.2 Å²	44.2	6%	0.057	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145.5	172.9	-68	-75.5	0	0	0	110.5	R120 L121 F216 L219 I256 L265 I425 I428 L438	R120-F445 WeakPolarHBondContact O-CA 2.78Å; L121-F445 HydrophobicContact CB-CD1 4.28Å; L121-F445 HydrophobicContact CB-CE1 4Å; L121-F445 HydrophobicContact CD1-CD1 4.19Å; L121-F445 HydrophobicContact CD1-CE1 3.75Å; L121-F445 HydrophobicContact CD1-CZ 3.95Å; L121-F445 HydrophobicContact CG-CE1 4.36Å; F216-F445 AromaticContact CD2-CE2 3.91Å; F216-F445 HydrophobicContact CD2-CE2 3.91Å; F216-F445 AromaticContact CD2-CZ 3.56Å; F216-F445 HydrophobicContact CD2-CZ 3.56Å; F216-F445 HydrophobicContact CE2-CE1 4.45Å; F216-F445 AromaticContact CE2-CE2 3.74Å; F216-F445 HydrophobicContact CE2-CE2 3.74Å; F216-F445 AromaticContact CE2-CZ 3.6Å; F216-F445 HydrophobicContact CE2-CZ 3.6Å; L219-F445 HydrophobicContact CD1-CE2 4.33Å; I256-F445 HydrophobicContact CD1-CE1 4.25Å; I256-F445 HydrophobicContact CD1-CZ 4.03Å; L265-F445 HydrophobicContact CB-CD1 4.22Å; L265-F445 HydrophobicContact CB-CE1 3.79Å; L265-F445 HydrophobicContact CD2-CD1 4.38Å; L265-F445 HydrophobicContact CD2-CE1 4.11Å; L265-F445 HydrophobicContact CD2-CZ 4.47Å; I425-F445 HydrophobicContact CD1-CB 4.26Å; I428-F445 HydrophobicContact CD1-CD2 4.46Å; I428-F445 HydrophobicContact CG2-CD2 4.37Å; L438-F445 HydrophobicContact CD1-CD2 4.23Å; L438-F445 HydrophobicContact CD1-CE2 4.36Å; L438-F445 HydrophobicContact CD2-CD2 4.46Å; L438-F445 HydrophobicContact CD2-CE2 4.03Å
446	D	93.1	Very high	93.5	Very high	53 Å²	53	44.1 Å²	44.1	28%	0.283	24%	0.236	S	C	.	.			trans	-60.9	135.9	167.5	-77.3	0.3	0	0	0	110.2	F119 R120 N448	F119-D446 VanDerWaalsContact CD1-O 3.27Å; F119-D446 WeakPolarHBondContact CD1-O 3.43Å; R120-D446 HydrophobicContact CB-CB 4.47Å; R120-D446 WeakPolarHBondContact CB-OD2 3.28Å; R120-D446 WeakPolarHBondContact CD-OD2 3.44Å; R120-D446 WeakPolarHBondContact CG-OD2 3.14Å; R120-D446 PolarHBondContact O-N 2.89Å; D446-N448 PolarHBondContact O-N 3.16Å
447	S	89.6	Confident	93.7	Very high	79 Å²	79	38.8 Å²	38.8	55%	0.552	22%	0.216	S	C	*	.	S	Bend	trans	-69.8	-21.2	176.1	-49.2	0	0	0	0	113.8	H429	H429-S447 PolarHBondContact CE1-OG 3.4Å
448	N	91.1	Very high	93.8	Very high	130 Å²	130	45.1 Å²	45.1	70%	0.695	25%	0.246	S	C	*	.	S	Bend	trans	-110	149.8	-173.2	-71.4	-52.5	0	0	0	111.8	F119 D446	F119-N448 WeakPolarHBondContact CD1-O 3.26Å; D446-N448 PolarHBondContact O-N 3.16Å
449	L	92.9	Very high	93.9	Very high	17 Å²	17	47.2 Å²	47.2	9%	0.089	26%	0.259	C	S	.	.			trans	-60.8	136.8	169.1	-70.5	-168	0	0	0	111.3	T116 F119 Q418 V421 S451 F749	T116-L449 WeakPolarHBondContact O-CB 3.11Å; T116-L449 WeakPolarHBondContact O-CD2 3.33Å; F119-L449 HydrophobicContact CD1-CD2 4.27Å; F119-L449 HydrophobicContact CD2-CD2 4.43Å; F119-L449 HydrophobicContact CE1-CD2 3.59Å; F119-L449 HydrophobicContact CE1-CG 4.41Å; F119-L449 HydrophobicContact CE2-CD2 3.77Å; F119-L449 HydrophobicContact CZ-CD2 3.32Å; F119-L449 HydrophobicContact CZ-CG 4.41Å; Q418-L449 HydrophobicContact CB-CD1 4.28Å; Q418-L449 HydrophobicContact CG-CD1 3.74Å; V421-L449 HydrophobicContact CG1-CD2 3.97Å; L449-S451 PolarHBondContact O-N 2.94Å; L449-S451 PolarHBondContact O-OG 3.36Å; L449-F749 HydrophobicContact CD1-CD2 4.45Å; L449-F749 HydrophobicContact CD1-CE2 4.23Å
450	L	95.1	Very high	94	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	24%	0.238	C	C	.	.			trans	-53	126.8	171.9	-179	78.4	0	0	0	110.2	S115 T116 H118 R120 M264 F452 E768 V769	S115-L450 VanDerWaalsContact CA-O 3.31Å; S115-L450 WeakPolarHBondContact CA-O 3.35Å; T116-L450 HydrophobicContact CG2-CB 3.77Å; T116-L450 HydrophobicContact CG2-CD2 3.78Å; T116-L450 HydrophobicContact CG2-CG 4.18Å; T116-L450 PolarHBondContact N-O 2.82Å; H118-L450 HydrophobicContact CB-CB 4.33Å; H118-L450 WeakPolarHBondContact O-CB 3.13Å; H118-L450 PolarHBondContact O-N 3.46Å; R120-L450 HydrophobicContact CG-CD1 4.36Å; M264-L450 HydrophobicContact CE-CD2 3.87Å; M264-L450 HydrophobicContact SD-CD1 4.24Å; M264-L450 HydrophobicContact SD-CD2 3.69Å; M264-L450 HydrophobicContact SD-CG 4.41Å; L450-F452 HydrophobicContact CD2-CD1 4.21Å; L450-F452 HydrophobicContact CG-CD1 4.37Å; L450-E768 HydrophobicContact CD2-CB 4.17Å; L450-V769 HydrophobicContact CD2-CG1 3.79Å
451	S	94.8	Very high	94.2	Very high	57 Å²	57	42.7 Å²	42.7	40%	0.399	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.4	179.3	-62.8	0	0	0	0	110.4	R113 L114 L449	R113-S451 PolarHBondContact NH2-O 2.85Å; L114-S451 CarbonylContact O-C 3.54Å; L114-S451 WeakPolarHBondContact O-CA 3.5Å; L449-S451 PolarHBondContact O-N 2.94Å; L449-S451 PolarHBondContact O-OG 3.36Å
452	F	95.9	Very high	94.4	Very high	9 Å²	9	42.7 Å²	42.7	4%	0.039	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	-176.7	-172.8	68.2	-82.5	0	0	0	110.7	R113 L114 T116 L450 F748 I765 V767 E768	R113-F452 WeakPolarHBondContact CD-O 3.14Å; L114-F452 HydrophobicContact CB-CE1 4.12Å; L114-F452 HydrophobicContact CB-CE2 4.22Å; L114-F452 HydrophobicContact CB-CZ 3.93Å; L114-F452 HydrophobicContact CD1-CE2 3.9Å; L114-F452 HydrophobicContact CD1-CZ 3.92Å; L114-F452 PolarHBondContact N-O 2.9Å; L114-F452 PolarHBondContact O-N 2.83Å; L114-F452 VanDerWaalsContact O-O 3.07Å; T116-F452 HydrophobicContact CG2-CD1 4.27Å; T116-F452 HydrophobicContact CG2-CE1 3.75Å; L450-F452 HydrophobicContact CD2-CD1 4.21Å; L450-F452 HydrophobicContact CG-CD1 4.37Å; F452-F748 HydrophobicContact CE1-CD1 4.31Å; F452-F748 HydrophobicContact CE1-CE1 4.37Å; F452-F748 AromaticContact CZ-CD1 3.93Å; F452-F748 HydrophobicContact CZ-CD1 3.93Å; F452-F748 AromaticContact CZ-CE1 3.95Å; F452-F748 HydrophobicContact CZ-CE1 3.95Å; F452-I765 HydrophobicContact CE2-CB 4.4Å; F452-I765 HydrophobicContact CE2-CG1 4.08Å; F452-I765 HydrophobicContact CE2-CG2 3.56Å; F452-I765 HydrophobicContact CZ-CG1 4.03Å; F452-I765 HydrophobicContact CZ-CG2 3.69Å; F452-V767 HydrophobicContact CD2-CG2 4.08Å; F452-V767 HydrophobicContact CE2-CG2 4.48Å; F452-E768 HydrophobicContact CB-CB 4.49Å; F452-E768 HydrophobicContact CB-CG 3.87Å; F452-E768 HydrophobicContact CG-CB 4.37Å; F452-E768 HydrophobicContact CG-CG 4.24Å
453	S	96.6	Very high	94.6	Very high	57 Å²	57	43.4 Å²	43.4	40%	0.399	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123	179.2	-61.8	0	0	0	0	110.5	V112	V112-S453 WeakPolarHBondContact O-CA 3.48Å
454	G	96.8	Very high	94.7	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-170.8	168.8	0	0	0	0	0	111.4	I111 V112	I111-G454 WeakPolarHBondContact CA-O 3.16Å; V112-G454 PolarHBondContact N-O 2.93Å; V112-G454 PolarHBondContact O-N 2.82Å
455	R	97.6	Very high	94.4	Very high	20 Å²	20	41.7 Å²	41.7	8%	0.075	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.5	177.1	-65.9	173.9	-64.9	109.6	1.6	111.1	G106 S108 I110 T763 V764 D766 D806	G106-R455 VanDerWaalsContact O-CZ 3.24Å; G106-R455 PolarHBondContact O-NE 2.56Å; G106-R455 VanDerWaalsContact O-NE 3.08Å; S108-R455 PolarHBondContact O-NH1 2.74Å; I110-R455 CarbonylContact O-C 3.5Å; I110-R455 WeakPolarHBondContact O-CA 3.44Å; R455-T763 CarbonylContact O-C 3.59Å; R455-T763 VanDerWaalsContact O-CA 3.3Å; R455-T763 WeakPolarHBondContact O-CA 3.43Å; R455-V764 PolarHBondContact N-O 2.79Å; R455-V764 PolarHBondContact O-N 3.13Å; R455-D766 IonicContact CZ-OD2 3.03Å; R455-D766 IonicContact NE-OD1 2.71Å; R455-D766 VanDerWaalsContact NH2-CG 3.29Å; R455-D766 IonicContact NH2-OD1 2.64Å; R455-D766 PolarHBondContact NH2-OD1 2.83Å; R455-D766 IonicContact NH2-OD2 3.18Å; R455-D766 PolarHBondContact NH2-OD2 2.84Å; R455-D806 IonicContact NH1-OD1 3.83Å
456	I	97.5	Very high	94	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.185	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	114.2	170.8	-52	179.2	0	0	0	107.9	G109 I110 V112 L760	G109-I456 CarbonylContact C-O 3.58Å; G109-I456 WeakPolarHBondContact CA-O 3.47Å; I110-I456 PolarHBondContact N-O 3.45Å; I110-I456 PolarHBondContact O-N 2.75Å; V112-I456 HydrophobicContact CB-CD1 3.85Å; V112-I456 HydrophobicContact CB-CG1 3.88Å; V112-I456 HydrophobicContact CG1-CD1 4.05Å; V112-I456 HydrophobicContact CG1-CG1 3.58Å; V112-I456 HydrophobicContact CG2-CD1 4.1Å; I456-L760 HydrophobicContact CD1-CB 4.39Å; I456-L760 HydrophobicContact CD1-CD1 4.33Å
457	L	97.1	Very high	93.9	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-62.8	151	174.6	-64.7	179.3	0	0	0	111.3	G762 V764 R810 Y813	L457-G762 PolarHBondContact N-O 3.5Å; L457-V764 HydrophobicContact CD1-CG2 3.65Å; L457-V764 HydrophobicContact CD2-CG2 4.27Å; L457-V764 HydrophobicContact CG-CG2 3.66Å; L457-R810 HydrophobicContact CD1-CG 4.17Å; L457-R810 HydrophobicContact CD2-CG 3.82Å; L457-Y813 HydrophobicContact CB-CD1 4.06Å; L457-Y813 HydrophobicContact CB-CE1 4.36Å; L457-Y813 HydrophobicContact CD1-CD1 4.03Å; L457-Y813 HydrophobicContact CD1-CG 4.11Å
458	Q	93.7	Very high	94.2	Very high	152 Å²	152	47.2 Å²	47.2	71%	0.71	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-60.6	140.7	176.2	-169.8	177.6	6.2	0	0	111.3
459	T	93.1	Very high	94.3	Very high	49 Å²	49	42.9 Å²	42.9	30%	0.301	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-58.3	139.1	171	-41.9	0	0	0	0	110.9	Y471 P473	T459-Y471 HydrophobicContact CG2-CD1 4.28Å; T459-Y471 HydrophobicContact CG2-CD2 4.32Å; T459-Y471 HydrophobicContact CG2-CE1 3.72Å; T459-Y471 HydrophobicContact CG2-CE2 3.75Å; T459-Y471 WeakPolarHBondContact CG2-OH 3.4Å; T459-P473 HydrophobicContact CG2-CG 4.04Å; T459-P473 WeakPolarHBondContact OG1-CG 3.19Å
460	E	95.3	Very high	94.3	Very high	23 Å²	23	46.7 Å²	46.7	11%	0.107	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-88.1	154.5	179.2	-66.5	-63.3	165.7	0	0	112	Y471 V619 K814	E460-Y471 WeakPolarHBondContact O-CE1 3.44Å; E460-V619 HydrophobicContact CB-CG1 3.94Å; E460-K814 VanDerWaalsContact CD-CG 3.49Å; E460-K814 HydrophobicContact CG-CG 3.98Å; E460-K814 WeakPolarHBondContact OE1-CE 3.28Å; E460-K814 WeakPolarHBondContact OE1-CG 3.5Å; E460-K814 IonicContact OE1-NZ 2.73Å; E460-K814 PolarHBondContact OE1-NZ 3.13Å; E460-K814 IonicContact OE2-NZ 3.52Å; E460-K814 PolarHBondContact OE2-NZ 2.91Å
461	K	95.8	Very high	94.3	Very high	102 Å²	102	47 Å²	47	44%	0.443	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-96.1	132.7	173.7	-65.4	-164.4	176.2	-151.6	0	110.6	H463 T468 D470	K461-H463 PolarHBondContact O-CD2 2.8Å; K461-H463 VanDerWaalsContact O-CD2 3.24Å; K461-H463 PolarHBondContact O-NE2 2.84Å; K461-T468 HydrophobicContact CB-CG2 3.82Å; K461-T468 HydrophobicContact CD-CG2 3.96Å; K461-T468 HydrophobicContact CG-CG2 4.43Å; K461-D470 WeakPolarHBondContact CE-OD1 3.35Å; K461-D470 IonicContact NZ-OD1 3.21Å; K461-D470 IonicContact NZ-OD2 3.71Å
462	I	96.4	Very high	94.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.1	-179.2	-51.9	-58.3	0	0	0	108.7	T468 F469 Y471 W478 T482 W617 V619	I462-T468 CarbonylContact O-C 3.6Å; I462-T468 WeakPolarHBondContact O-CA 3.31Å; I462-F469 HydrophobicContact CB-CB 4.45Å; I462-F469 PolarHBondContact N-O 2.89Å; I462-F469 PolarHBondContact O-N 3.39Å; I462-Y471 HydrophobicContact CD1-CD1 4.35Å; I462-Y471 HydrophobicContact CD1-CE1 4.22Å; I462-Y471 HydrophobicContact CG1-CD1 3.93Å; I462-Y471 HydrophobicContact CG1-CE1 4.28Å; I462-W478 HydrophobicContact CD1-CD2 3.92Å; I462-W478 HydrophobicContact CD1-CE3 3.74Å; I462-W478 HydrophobicContact CD1-CH2 3.81Å; I462-W478 HydrophobicContact CD1-CZ2 3.98Å; I462-W478 HydrophobicContact CD1-CZ3 3.68Å; I462-W478 HydrophobicContact CG1-CD2 3.71Å; I462-W478 HydrophobicContact CG1-CE3 3.76Å; I462-W478 HydrophobicContact CG1-CG 4.08Å; I462-W478 HydrophobicContact CG1-CZ3 4.24Å; I462-W478 HydrophobicContact CG2-CG 4.45Å; I462-T482 HydrophobicContact CG2-CG2 4.41Å; I462-W617 HydrophobicContact CG2-CB 3.87Å; I462-W617 HydrophobicContact CG2-CG 4.01Å; I462-V619 HydrophobicContact CD1-CG1 3.83Å
463	H	95.2	Very high	93.7	Very high	28 Å²	28	49.4 Å²	49.4	13%	0.13	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.6	178.9	-53.4	-92.9	0	0	0	110.1	K461 K467 T468 W617 R618 D620	K461-H463 PolarHBondContact O-CD2 2.8Å; K461-H463 VanDerWaalsContact O-CD2 3.24Å; K461-H463 PolarHBondContact O-NE2 2.84Å; H463-K467 WeakPolarHBondContact CA-O 3.45Å; H463-T468 PolarHBondContact ND1-OG1 2.75Å; H463-W617 CarbonylContact O-C 3.5Å; H463-W617 WeakPolarHBondContact O-CA 3.47Å; H463-W617 WeakPolarHBondContact O-CB 3.23Å; H463-R618 HydrophobicContact CB-CG 3.98Å; H463-R618 PolarHBondContact N-O 3.33Å; H463-R618 PolarHBondContact O-N 2.75Å; H463-D620 IonicContact CE1-OD2 2.67Å; H463-D620 IonicContact NE2-OD2 3.61Å; H463-D620 PolarHBondContact NE2-OD2 2.88Å
464	Q	94.3	Very high	93.3	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.023	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	120.5	-178.8	163.6	173	-17.5	0	0	109.8	G466 K467 F469 T482 A485 P486 W617	Q464-G466 VanDerWaalsContact C-N 3.32Å; Q464-G466 PolarHBondContact O-N 2.82Å; Q464-K467 PolarHBondContact N-O 3.48Å; Q464-K467 WeakPolarHBondContact O-CB 3.36Å; Q464-K467 PolarHBondContact O-N 2.82Å; Q464-F469 HydrophobicContact CB-CE2 4.19Å; Q464-T482 PolarHBondContact NE2-O 2.93Å; Q464-A485 HydrophobicContact CG-CB 4.13Å; Q464-A485 PolarHBondContact NE2-O 2.82Å; Q464-P486 CarbonylContact C-O 3.55Å; Q464-P486 WeakPolarHBondContact CG-O 3.36Å; Q464-W617 HydrophobicContact CB-CB 4.11Å
465	G	86.5	Confident	92.8	Very high	28 Å²	28	58.9 Å²	58.9	29%	0.289	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.5	175.6	0	0	0	0	0	114.9	K467 P486	G465-K467 PolarHBondContact O-N 2.96Å; G465-P486 VanDerWaalsContact CA-O 3.24Å; G465-P486 WeakPolarHBondContact CA-O 3.47Å; G465-P486 PolarHBondContact N-O 3.08Å
466	G	85.8	Confident	92.5	Very high	86 Å²	86	58 Å²	58	89%	0.887	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-10.3	-177.2	0	0	0	0	0	115.5	Q464	Q464-G466 VanDerWaalsContact C-N 3.32Å; Q464-G466 PolarHBondContact O-N 2.82Å
467	K	91.3	Very high	92.3	Very high	103 Å²	103	57.8 Å²	57.8	45%	0.448	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	153.8	171.9	-60.6	-175.7	-179.4	179.7	0	110.9	H463 Q464 G465 F469 A485	H463-K467 WeakPolarHBondContact CA-O 3.45Å; Q464-K467 PolarHBondContact N-O 3.48Å; Q464-K467 WeakPolarHBondContact O-CB 3.36Å; Q464-K467 PolarHBondContact O-N 2.82Å; G465-K467 PolarHBondContact O-N 2.96Å; K467-F469 HydrophobicContact CB-CE1 4.38Å; K467-F469 HydrophobicContact CB-CE2 3.62Å; K467-F469 HydrophobicContact CB-CZ 3.49Å; K467-F469 VanDerWaalsContact CB-CZ 3.49Å; K467-F469 HydrophobicContact CD-CZ 3.89Å; K467-F469 HydrophobicContact CG-CZ 4.33Å; K467-A485 HydrophobicContact CD-CB 4.01Å
468	T	94.9	Very high	92.2	Very high	72 Å²	72	57.4 Å²	57.4	44%	0.442	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.4	177.1	-57	0	0	0	0	109.1	K461 I462 H463	K461-T468 HydrophobicContact CB-CG2 3.82Å; K461-T468 HydrophobicContact CD-CG2 3.96Å; K461-T468 HydrophobicContact CG-CG2 4.43Å; I462-T468 CarbonylContact O-C 3.6Å; I462-T468 WeakPolarHBondContact O-CA 3.31Å; H463-T468 PolarHBondContact ND1-OG1 2.75Å
469	F	93.6	Very high	91.9	Very high	38 Å²	38	51.8 Å²	51.8	17%	0.167	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.1	-175	-53.4	-82.7	0	0	0	111	I462 Q464 K467 E481 T482 A485	I462-F469 HydrophobicContact CB-CB 4.45Å; I462-F469 PolarHBondContact N-O 2.89Å; I462-F469 PolarHBondContact O-N 3.39Å; Q464-F469 HydrophobicContact CB-CE2 4.19Å; K467-F469 HydrophobicContact CB-CE1 4.38Å; K467-F469 HydrophobicContact CB-CE2 3.62Å; K467-F469 HydrophobicContact CB-CZ 3.49Å; K467-F469 VanDerWaalsContact CB-CZ 3.49Å; K467-F469 HydrophobicContact CD-CZ 3.89Å; K467-F469 HydrophobicContact CG-CZ 4.33Å; F469-E481 HydrophobicContact CB-CB 4.22Å; F469-E481 HydrophobicContact CD1-CB 4.1Å; F469-E481 WeakPolarHBondContact CE1-O 3.36Å; F469-E481 HydrophobicContact CG-CB 4.3Å; F469-T482 HydrophobicContact CD2-CG2 4.46Å; F469-A485 HydrophobicContact CE2-CB 4.13Å; F469-A485 HydrophobicContact CZ-CB 3.74Å
470	D	94.2	Very high	91.6	Very high	98 Å²	98	56.8 Å²	56.8	52%	0.524	31%	0.307	S	S	.	.			trans	-89.9	153.1	163.5	-63.1	-75.6	0	0	0	109.1	K461	K461-D470 WeakPolarHBondContact CE-OD1 3.35Å; K461-D470 IonicContact NZ-OD1 3.21Å; K461-D470 IonicContact NZ-OD2 3.71Å
471	Y	93.4	Very high	91.2	Very high	14 Å²	14	59 Å²	59	6%	0.055	32%	0.317	C	S	.	.			trans	-133	157.6	177.3	66.8	-90.9	0	0	0	111.4	T459 E460 I462 P473 A476 W478 H817 V825	T459-Y471 HydrophobicContact CG2-CD1 4.28Å; T459-Y471 HydrophobicContact CG2-CD2 4.32Å; T459-Y471 HydrophobicContact CG2-CE1 3.72Å; T459-Y471 HydrophobicContact CG2-CE2 3.75Å; T459-Y471 WeakPolarHBondContact CG2-OH 3.4Å; E460-Y471 WeakPolarHBondContact O-CE1 3.44Å; I462-Y471 HydrophobicContact CD1-CD1 4.35Å; I462-Y471 HydrophobicContact CD1-CE1 4.22Å; I462-Y471 HydrophobicContact CG1-CD1 3.93Å; I462-Y471 HydrophobicContact CG1-CE1 4.28Å; Y471-P473 WeakPolarHBondContact O-CD 3.34Å; Y471-A476 HydrophobicContact CE2-CB 4.35Å; Y471-W478 AromaticContact CD1-CE3 3.79Å; Y471-W478 HydrophobicContact CD1-CE3 3.79Å; Y471-W478 HydrophobicContact CD1-CZ3 4.29Å; Y471-W478 HydrophobicContact CE1-CE3 4.11Å; Y471-W478 HydrophobicContact CE1-CZ3 4.13Å; Y471-W478 HydrophobicContact CG-CE3 4.03Å; Y471-H817 AromaticContact CZ-NE2 3.85Å; Y471-H817 PolarHBondContact OH-NE2 3.35Å; Y471-V825 HydrophobicContact CE2-CG2 4.24Å
472	N	91.6	Very high	90.7	Very high	75 Å²	75	55 Å²	55	40%	0.401	30%	0.301	S	S	.	.			trans	-73.6	118.8	179.4	-177.2	-35.4	0	0	0	110.7	Q474 F475 A476	N472-Q474 PolarHBondContact O-N 2.87Å; N472-Q474 WeakPolarHBondContact OD1-CB 3.34Å; N472-Q474 PolarHBondContact OD1-N 2.63Å; N472-F475 HydrophobicContact CB-CD2 3.94Å; N472-F475 PolarHBondContact O-N 2.91Å; N472-F475 VanDerWaalsContact O-N 3.13Å; N472-A476 PolarHBondContact O-N 2.85Å
473	P	87.5	Confident	89.9	Confident	41 Å²	41	63.2 Å²	63.2	27%	0.266	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.8	-176.6	-24.7	35.9	0	0	0	114.3	T459 Y471 F475 P761	T459-P473 HydrophobicContact CG2-CG 4.04Å; T459-P473 WeakPolarHBondContact OG1-CG 3.19Å; Y471-P473 WeakPolarHBondContact O-CD 3.34Å; P473-F475 VanDerWaalsContact C-N 3.29Å; P473-F475 PolarHBondContact O-N 3.26Å; P473-P761 VanDerWaalsContact O-CD 3.3Å; P473-P761 WeakPolarHBondContact O-CD 3.49Å; P473-P761 VanDerWaalsContact O-CG 3.28Å; P473-P761 WeakPolarHBondContact O-CG 3.36Å
474	Q	87.4	Confident	89.1	Confident	122 Å²	122	64 Å²	64	57%	0.57	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.8	-179.6	-166.4	172.4	17.1	0	0	112.7	N472 L760 A783	N472-Q474 PolarHBondContact O-N 2.87Å; N472-Q474 WeakPolarHBondContact OD1-CB 3.34Å; N472-Q474 PolarHBondContact OD1-N 2.63Å; Q474-L760 HydrophobicContact CB-CD2 4.29Å; Q474-L760 HydrophobicContact CG-CD2 4.34Å; Q474-A783 WeakPolarHBondContact O-CB 3.45Å
475	F	87.8	Confident	88.8	Confident	136 Å²	136	63.9 Å²	63.9	60%	0.596	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-28.7	175.3	-58.5	-53.6	0	0	0	113	N472 P473 D477	N472-F475 HydrophobicContact CB-CD2 3.94Å; N472-F475 PolarHBondContact O-N 2.91Å; N472-F475 VanDerWaalsContact O-N 3.13Å; P473-F475 VanDerWaalsContact C-N 3.29Å; P473-F475 PolarHBondContact O-N 3.26Å; F475-D477 PolarHBondContact O-N 3.13Å
476	A	91.2	Very high	89.1	Confident	2 Å²	2	64.8 Å²	64.8	2%	0.017	35%	0.348	C	S	.	.			trans	48.7	42.1	-179.1	0	0	0	0	0	113.4	Y471 N472 P761 A783 G824 V825	Y471-A476 HydrophobicContact CE2-CB 4.35Å; N472-A476 PolarHBondContact O-N 2.85Å; A476-P761 HydrophobicContact CB-CB 4.07Å; A476-P761 HydrophobicContact CB-CG 3.79Å; A476-A783 HydrophobicContact CB-CB 4.07Å; A476-G824 CarbonylContact O-C 3.55Å; A476-G824 WeakPolarHBondContact O-CA 3.39Å; A476-V825 HydrophobicContact CB-CB 4.05Å; A476-V825 HydrophobicContact CB-CG2 3.86Å; A476-V825 PolarHBondContact O-N 2.79Å
477	D	92.8	Very high	89.5	Confident	31 Å²	31	61.1 Å²	61.1	17%	0.166	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-136.5	140.2	-179.3	173.1	-91.8	0	0	0	108.2	F475 S479 P823	F475-D477 PolarHBondContact O-N 3.13Å; D477-S479 WeakPolarHBondContact OD1-CB 3.36Å; D477-S479 PolarHBondContact OD1-N 3.08Å; D477-S479 PolarHBondContact OD1-OG 2.95Å; D477-S479 PolarHBondContact OD2-OG 3.45Å; D477-P823 WeakPolarHBondContact CA-O 3.32Å
478	W	93.6	Very high	89.7	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.			trans	-123.2	23.8	176.4	52.3	80.5	0	0	0	111.9	I462 Y471 K480 E481 T482 W617 H817 P823 G824 V825	I462-W478 HydrophobicContact CD1-CD2 3.92Å; I462-W478 HydrophobicContact CD1-CE3 3.74Å; I462-W478 HydrophobicContact CD1-CH2 3.81Å; I462-W478 HydrophobicContact CD1-CZ2 3.98Å; I462-W478 HydrophobicContact CD1-CZ3 3.68Å; I462-W478 HydrophobicContact CG1-CD2 3.71Å; I462-W478 HydrophobicContact CG1-CE3 3.76Å; I462-W478 HydrophobicContact CG1-CG 4.08Å; I462-W478 HydrophobicContact CG1-CZ3 4.24Å; I462-W478 HydrophobicContact CG2-CG 4.45Å; Y471-W478 AromaticContact CD1-CE3 3.79Å; Y471-W478 HydrophobicContact CD1-CE3 3.79Å; Y471-W478 HydrophobicContact CD1-CZ3 4.29Å; Y471-W478 HydrophobicContact CE1-CE3 4.11Å; Y471-W478 HydrophobicContact CE1-CZ3 4.13Å; Y471-W478 HydrophobicContact CG-CE3 4.03Å; W478-K480 PolarHBondContact O-N 3.5Å; W478-K480 VanDerWaalsContact O-N 3.09Å; W478-E481 WeakPolarHBondContact CA-OE2 3.39Å; W478-E481 HydrophobicContact CB-CB 4.32Å; W478-E481 PolarHBondContact O-N 2.88Å; W478-T482 HydrophobicContact CB-CG2 4.49Å; W478-T482 VanDerWaalsContact CD1-CG2 3.44Å; W478-T482 HydrophobicContact CG-CG2 4.27Å; W478-T482 PolarHBondContact O-N 2.87Å; W478-T482 PolarHBondContact O-OG1 3.37Å; W478-T482 VanDerWaalsContact O-OG1 3.08Å; W478-W617 AromaticContact CZ2-CE2 3.79Å; W478-W617 AromaticContact CZ2-CZ2 3.94Å; W478-W617 HydrophobicContact CZ2-CZ2 3.94Å; W478-W617 AromaticContact CZ2-NE1 3.5Å; W478-W617 AromaticContact NE1-CD2 3.9Å; W478-W617 AromaticContact NE1-CE2 3.71Å; W478-W617 AromaticContact NE1-CZ2 3.93Å; W478-H817 HydrophobicContact CH2-CB 3.92Å; W478-H817 WeakPolarHBondContact CH2-O 3.34Å; W478-H817 WeakPolarHBondContact CZ2-O 3.16Å; W478-H817 AromaticContact CZ3-CD2 3.91Å; W478-P823 HydrophobicContact CG-CB 4.41Å; W478-P823 PolarHBondContact N-O 3.28Å; W478-P823 VanDerWaalsContact NE1-CA 3.31Å; W478-G824 VanDerWaalsContact CH2-CA 3.41Å; W478-G824 WeakPolarHBondContact CH2-O 3.42Å; W478-G824 VanDerWaalsContact CZ2-N 3.26Å; W478-G824 VanDerWaalsContact CZ3-CA 3.44Å; W478-V825 HydrophobicContact CH2-CG2 4.4Å; W478-V825 HydrophobicContact CZ3-CG2 3.87Å
479	S	88.9	Confident	89.7	Confident	35 Å²	35	56.8 Å²	56.8	25%	0.245	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.4	-176.2	-73.8	0	0	0	0	114.1	D477 P823	D477-S479 WeakPolarHBondContact OD1-CB 3.36Å; D477-S479 PolarHBondContact OD1-N 3.08Å; D477-S479 PolarHBondContact OD1-OG 2.95Å; D477-S479 PolarHBondContact OD2-OG 3.45Å; S479-P823 VanDerWaalsContact OG-CG 3.28Å; S479-P823 WeakPolarHBondContact OG-CG 3.36Å
480	K	87.1	Confident	89.8	Confident	153 Å²	153	56.8 Å²	56.8	67%	0.665	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-40.5	-178.6	-60.5	175.3	-179.3	175.4	0	110.7	W478 R483	W478-K480 PolarHBondContact O-N 3.5Å; W478-K480 VanDerWaalsContact O-N 3.09Å; K480-R483 WeakPolarHBondContact O-CB 3.16Å; K480-R483 PolarHBondContact O-N 3.49Å
481	E	86.8	Confident	89.9	Confident	70 Å²	70	55.3 Å²	55.3	33%	0.327	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-41.6	-172.8	-64.4	66	-153.2	0	0	110.2	F469 W478 R483	F469-E481 HydrophobicContact CB-CB 4.22Å; F469-E481 HydrophobicContact CD1-CB 4.1Å; F469-E481 WeakPolarHBondContact CE1-O 3.36Å; F469-E481 HydrophobicContact CG-CB 4.3Å; W478-E481 WeakPolarHBondContact CA-OE2 3.39Å; W478-E481 HydrophobicContact CB-CB 4.32Å; W478-E481 PolarHBondContact O-N 2.88Å; E481-R483 PolarHBondContact O-N 3.17Å
482	T	84.1	Confident	89.9	Confident	17 Å²	17	57 Å²	57	10%	0.104	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3.1	176.7	59.1	0	0	0	0	114.5	I462 Q464 F469 W478 G484	I462-T482 HydrophobicContact CG2-CG2 4.41Å; Q464-T482 PolarHBondContact NE2-O 2.93Å; F469-T482 HydrophobicContact CD2-CG2 4.46Å; W478-T482 HydrophobicContact CB-CG2 4.49Å; W478-T482 VanDerWaalsContact CD1-CG2 3.44Å; W478-T482 HydrophobicContact CG-CG2 4.27Å; W478-T482 PolarHBondContact O-N 2.87Å; W478-T482 PolarHBondContact O-OG1 3.37Å; W478-T482 VanDerWaalsContact O-OG1 3.08Å; T482-G484 PolarHBondContact O-N 3.16Å
483	R	81	Confident	90.1	Very high	173 Å²	173	53.5 Å²	53.5	65%	0.653	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	121.6	-179.6	-171	-174.1	-60.5	-173.6	1.5	110.2	K480 E481	K480-R483 WeakPolarHBondContact O-CB 3.16Å; K480-R483 PolarHBondContact O-N 3.49Å; E481-R483 PolarHBondContact O-N 3.17Å
484	G	77.9	Confident	90.5	Very high	45 Å²	45	54.4 Å²	54.4	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	24.3	178.8	0	0	0	0	0	114.2	T482 A521	T482-G484 PolarHBondContact O-N 3.16Å; G484-A521 CarbonylContact C-O 3.48Å
485	A	86.7	Confident	90.9	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	26%	0.261	C	S	.	.			trans	-105.9	138.1	167.1	0	0	0	0	0	110	Q464 K467 F469 A521	Q464-A485 HydrophobicContact CG-CB 4.13Å; Q464-A485 PolarHBondContact NE2-O 2.82Å; K467-A485 HydrophobicContact CD-CB 4.01Å; F469-A485 HydrophobicContact CE2-CB 4.13Å; F469-A485 HydrophobicContact CZ-CB 3.74Å; A485-A521 CarbonylContact C-O 3.48Å; A485-A521 VanDerWaalsContact C-O 3.25Å
486	P	93.6	Very high	91.3	Very high	47 Å²	47	44.2 Å²	44.2	31%	0.305	23%	0.233	S	C	.	.			trans	-61.2	151.5	175.4	25.3	-31.8	0	0	0	110.9	Q464 G465 M522	Q464-P486 CarbonylContact C-O 3.55Å; Q464-P486 WeakPolarHBondContact CG-O 3.36Å; G465-P486 VanDerWaalsContact CA-O 3.24Å; G465-P486 WeakPolarHBondContact CA-O 3.47Å; G465-P486 PolarHBondContact N-O 3.08Å; P486-M522 WeakPolarHBondContact CA-O 3.27Å
487	L	95.2	Very high	91.7	Very high	9 Å²	9	44.2 Å²	44.2	5%	0.047	23%	0.233	C	C	.	.			trans	-81.3	166.2	179.6	-49.8	173	0	0	0	111	V490 M522 L606 N609 L616	L487-V490 HydrophobicContact CB-CG2 3.87Å; L487-V490 HydrophobicContact CD1-CG2 4.45Å; L487-V490 HydrophobicContact CG-CG2 4.43Å; L487-M522 HydrophobicContact CD1-CB 4.03Å; L487-M522 HydrophobicContact CD1-SD 4.43Å; L487-M522 HydrophobicContact CG-CB 3.97Å; L487-M522 HydrophobicContact CG-CG 4.48Å; L487-M522 PolarHBondContact N-O 3.16Å; L487-L606 HydrophobicContact CD1-CD2 4.09Å; L487-L606 HydrophobicContact CD2-CD2 3.52Å; L487-L606 HydrophobicContact CG-CD2 4.45Å; L487-N609 HydrophobicContact CD1-CB 4.24Å; L487-N609 WeakPolarHBondContact CD1-ND2 3.31Å; L487-L616 HydrophobicContact CD1-CD2 3.81Å; L487-L616 HydrophobicContact CD2-CD2 4.13Å; L487-L616 HydrophobicContact CG-CD2 4.45Å
488	I	95.1	Very high	91.9	Very high	59 Å²	59	42.8 Å²	42.8	30%	0.303	23%	0.225	S	C	.	.	S	Bend	trans	-66.3	-48.2	177.2	-68.4	176.7	0	0	0	111.5	E615 L616 W617 R618	I488-E615 HydrophobicContact CB-CB 4Å; I488-E615 HydrophobicContact CG2-CB 4.02Å; I488-E615 PolarHBondContact N-O 2.68Å; I488-E615 VanDerWaalsContact N-O 3.1Å; I488-L616 PolarHBondContact N-O 3.41Å; I488-W617 VanDerWaalsContact CD1-CA 3.5Å; I488-R618 HydrophobicContact CD1-CB 3.81Å; I488-R618 HydrophobicContact CD1-CG 3.68Å
489	S	95	Very high	92.2	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-137.1	120.6	175.5	-171.2	0	0	0	0	109.2	N609 G614 E615	S489-N609 PolarHBondContact O-ND2 2.88Å; S489-G614 CarbonylContact O-C 3.56Å; S489-G614 VanDerWaalsContact O-CA 3.26Å; S489-G614 WeakPolarHBondContact O-CA 3.5Å; S489-E615 WeakPolarHBondContact CB-OE1 3.26Å; S489-E615 PolarHBondContact N-O 2.89Å; S489-E615 PolarHBondContact O-N 3.27Å
490	V	95.2	Very high	92.6	Very high	39 Å²	39	42 Å²	42	24%	0.236	22%	0.217	C	C	.	.			trans	-105.3	140.1	-177.1	-172.2	0	0	0	0	109.6	L487 M522 M524 N609	L487-V490 HydrophobicContact CB-CG2 3.87Å; L487-V490 HydrophobicContact CD1-CG2 4.45Å; L487-V490 HydrophobicContact CG-CG2 4.43Å; V490-M522 WeakPolarHBondContact CG2-O 3.27Å; V490-M524 VanDerWaalsContact CG1-CA 3.47Å; V490-M524 HydrophobicContact CG1-CB 3.54Å; V490-M524 HydrophobicContact CG1-CE 4.2Å; V490-M524 HydrophobicContact CG1-CG 3.98Å; V490-N609 WeakPolarHBondContact CA-OD1 3.47Å
491	K	95.8	Very high	93	Very high	66 Å²	66	34.9 Å²	34.9	29%	0.287	19%	0.186	S	C	.	.			trans	-104.8	125.3	169	-57.7	-57.6	-177	-168.3	0	108.7	N609 M612 G613	K491-N609 PolarHBondContact N-OD1 3.42Å; K491-M612 HydrophobicContact CB-CB 3.77Å; K491-M612 HydrophobicContact CB-CE 3.95Å; K491-M612 HydrophobicContact CB-SD 4.34Å; K491-M612 HydrophobicContact CG-CB 3.77Å; K491-G613 WeakPolarHBondContact CE-O 3.38Å
492	P	94.3	Very high	93.4	Very high	50 Å²	50	40.8 Å²	40.8	33%	0.325	21%	0.206	S	C	.	.			trans	-68.8	151.6	178.5	31.5	-35.9	0	0	0	110.4	D494 Q554	P492-D494 WeakPolarHBondContact CB-OD2 3.36Å; P492-D494 WeakPolarHBondContact CG-OD2 2.91Å; P492-Q554 PolarHBondContact O-NE2 2.95Å; P492-Q554 VanDerWaalsContact O-NE2 3.09Å; P492-Q554 PolarHBondContact O-OE1 2.78Å
493	L	95	Very high	93.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-107.1	76.2	175.8	-75.6	172.9	0	0	0	109.3	W496 M524 Q525 M526 K527 I555 M608 M612	L493-W496 HydrophobicContact CB-CG 4.41Å; L493-W496 HydrophobicContact CD2-CB 4.3Å; L493-W496 HydrophobicContact CD2-CD2 4.5Å; L493-W496 HydrophobicContact CD2-CG 4.14Å; L493-M524 HydrophobicContact CD1-SD 3.59Å; L493-M524 VanDerWaalsContact CD1-SD 3.59Å; L493-M524 HydrophobicContact CG-SD 4.08Å; L493-Q525 PolarHBondContact N-O 3.3Å; L493-M526 HydrophobicContact CB-CB 4.2Å; L493-M526 HydrophobicContact CB-CG 4.14Å; L493-M526 HydrophobicContact CD1-CG 4.16Å; L493-M526 HydrophobicContact CD1-SD 4.45Å; L493-K527 PolarHBondContact O-N 3.42Å; L493-I555 HydrophobicContact CD2-CG2 3.51Å; L493-M608 HydrophobicContact CD1-CE 3.82Å; L493-M608 HydrophobicContact CD2-CE 3.99Å; L493-M612 HydrophobicContact CD2-CE 3.46Å; L493-M612 VanDerWaalsContact CD2-CE 3.46Å; L493-M612 HydrophobicContact CD2-SD 3.66Å; L493-M612 HydrophobicContact CG-CE 3.96Å
494	D	95.3	Very high	94.6	Very high	61 Å²	61	41 Å²	41	33%	0.326	21%	0.206	S	C	.	.	S	Bend	trans	-86.4	-49.1	-179.5	-71	-70.5	0	0	0	112.9	P492 K527	P492-D494 WeakPolarHBondContact CB-OD2 3.36Å; P492-D494 WeakPolarHBondContact CG-OD2 2.91Å; D494-K527 HydrophobicContact CB-CD 4.3Å; D494-K527 WeakPolarHBondContact OD1-CD 3.49Å; D494-K527 WeakPolarHBondContact OD1-CE 3.42Å; D494-K527 IonicContact OD1-NZ 3.64Å; D494-K527 PolarHBondContact OD1-NZ 2.71Å
495	N	96.3	Very high	95.4	Very high	41 Å²	41	44.5 Å²	44.5	22%	0.219	21%	0.206	C	C	.	.	S	Bend	trans	-129.2	100.5	-177.8	-179.4	26.3	0	0	0	109.9	D552 T553 Q554	N495-D552 PolarHBondContact ND2-O 2.79Å; N495-T553 PolarHBondContact ND2-N 3.24Å; N495-Q554 PolarHBondContact O-N 3.29Å
496	W	97.6	Very high	95.8	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	147.5	-175.9	67.4	-73	0	0	0	111.4	L493 I512 L515 M526 K527 A529 I530 I555 V557 M608	L493-W496 HydrophobicContact CB-CG 4.41Å; L493-W496 HydrophobicContact CD2-CB 4.3Å; L493-W496 HydrophobicContact CD2-CD2 4.5Å; L493-W496 HydrophobicContact CD2-CG 4.14Å; W496-I512 HydrophobicContact CH2-CG1 4.41Å; W496-L515 HydrophobicContact CH2-CD1 4.14Å; W496-M526 HydrophobicContact CH2-CE 3.88Å; W496-M526 HydrophobicContact CZ2-CE 3.46Å; W496-M526 VanDerWaalsContact CZ2-CE 3.46Å; W496-M526 HydrophobicContact CZ2-CG 4.24Å; W496-M526 HydrophobicContact CZ2-SD 4.43Å; W496-K527 PolarHBondContact NE1-O 3.28Å; W496-A529 HydrophobicContact CD2-CB 4.06Å; W496-A529 HydrophobicContact CE3-CB 4.07Å; W496-A529 HydrophobicContact CH2-CB 3.55Å; W496-A529 HydrophobicContact CZ2-CB 3.48Å; W496-A529 VanDerWaalsContact CZ2-CB 3.48Å; W496-A529 HydrophobicContact CZ3-CB 3.83Å; W496-I530 PolarHBondContact O-N 2.7Å; W496-I555 WeakPolarHBondContact CA-O 3.32Å; W496-I555 HydrophobicContact CB-CG2 3.67Å; W496-I555 WeakPolarHBondContact CB-O 3.31Å; W496-I555 HydrophobicContact CG-CG2 4.47Å; W496-V557 HydrophobicContact CE3-CG2 3.83Å; W496-V557 HydrophobicContact CZ3-CB 4.48Å; W496-V557 HydrophobicContact CZ3-CG2 3.77Å; W496-M608 HydrophobicContact CE3-CE 4.16Å; W496-M608 HydrophobicContact CZ3-CE 4.22Å
497	L	98.3	Very high	95.9	Very high	3 Å²	3	51 Å²	51	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.6	-173.5	-49.5	-176.1	0	0	0	110.9	I530 I532 K548 V549 T553 I555 V556 V557	L497-I530 WeakPolarHBondContact CA-O 3.32Å; L497-I530 HydrophobicContact CD2-CB 3.72Å; L497-I530 HydrophobicContact CD2-CD1 3.99Å; L497-I530 HydrophobicContact CD2-CG1 4.37Å; L497-I530 HydrophobicContact CD2-CG2 4.03Å; L497-I532 HydrophobicContact CB-CD1 4.36Å; L497-I532 HydrophobicContact CD1-CD1 4.09Å; L497-I532 HydrophobicContact CD2-CD1 4.22Å; L497-I532 HydrophobicContact CG-CD1 4.45Å; L497-K548 HydrophobicContact CD1-CB 4.1Å; L497-V549 HydrophobicContact CD1-CG2 3.88Å; L497-T553 HydrophobicContact CD1-CG2 4.31Å; L497-T553 HydrophobicContact CG-CG2 4.01Å; L497-I555 PolarHBondContact N-O 2.74Å; L497-V556 HydrophobicContact CB-CG1 4.31Å; L497-V556 HydrophobicContact CD1-CG2 4.26Å; L497-V557 PolarHBondContact O-N 2.66Å
498	L	98.3	Very high	95.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	104.2	164.3	-179.6	65.6	0	0	0	109.8	A508 I512 A529 I530 M531 I532 V557	L498-A508 HydrophobicContact CD2-CB 3.84Å; L498-I512 HydrophobicContact CD2-CD1 3.47Å; L498-I512 VanDerWaalsContact CD2-CD1 3.47Å; L498-I512 HydrophobicContact CD2-CG1 3.66Å; L498-A529 HydrophobicContact CB-CB 4.01Å; L498-I530 PolarHBondContact N-O 3.34Å; L498-M531 HydrophobicContact CB-CG 4.49Å; L498-M531 HydrophobicContact CD2-CE 4.45Å; L498-M531 WeakPolarHBondContact O-CA 3.26Å; L498-I532 PolarHBondContact O-N 2.9Å; L498-V557 CarbonylContact C-O 3.58Å; L498-V557 WeakPolarHBondContact CA-O 3.33Å; L498-V557 HydrophobicContact CD1-CB 3.63Å; L498-V557 HydrophobicContact CD1-CG1 3.47Å; L498-V557 VanDerWaalsContact CD1-CG1 3.47Å
499	I	98.3	Very high	95.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.8	177.6	-56.4	171.3	0	0	0	108.9	I532 V534 Y541 V544 L545 V556 V557 L559	I499-I532 WeakPolarHBondContact CA-O 3.46Å; I499-I532 HydrophobicContact CG1-CB 4.41Å; I499-I532 HydrophobicContact CG1-CD1 4.38Å; I499-V534 HydrophobicContact CG2-CB 4.04Å; I499-V534 HydrophobicContact CG2-CG1 3.52Å; I499-Y541 HydrophobicContact CG2-CD1 3.78Å; I499-Y541 HydrophobicContact CG2-CE1 3.76Å; I499-V544 HydrophobicContact CD1-CG1 3.76Å; I499-V544 HydrophobicContact CG1-CG1 4.08Å; I499-V544 HydrophobicContact CG2-CG1 4.44Å; I499-L545 HydrophobicContact CD1-CD2 3.43Å; I499-L545 VanDerWaalsContact CD1-CD2 3.43Å; I499-L545 HydrophobicContact CD1-CG 4.15Å; I499-V556 HydrophobicContact CD1-CG1 3.81Å; I499-V556 HydrophobicContact CG1-CG1 4.4Å; I499-V557 PolarHBondContact N-O 3.29Å; I499-L559 PolarHBondContact O-N 2.78Å
500	Y	97.6	Very high	95.9	Very high	19 Å²	19	49.3 Å²	49.3	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	156	-177	70.9	-79.5	0	0	0	110.9	Y505 A508 M531 I532 E533 V534	Y500-Y505 HydrophobicContact CD2-CD2 4.45Å; Y500-Y505 AromaticContact CE2-CD2 3.65Å; Y500-Y505 HydrophobicContact CE2-CD2 3.65Å; Y500-Y505 HydrophobicContact CE2-CG 4.25Å; Y500-Y505 AromaticContact CZ-CD2 3.78Å; Y500-A508 HydrophobicContact CD1-CB 4.39Å; Y500-A508 HydrophobicContact CD2-CB 4.38Å; Y500-A508 HydrophobicContact CG-CB 3.95Å; Y500-M531 HydrophobicContact CD1-CE 4.17Å; Y500-M531 HydrophobicContact CE1-CB 3.98Å; Y500-M531 HydrophobicContact CE1-CE 3.94Å; Y500-I532 VanDerWaalsContact CD1-O 3.29Å; Y500-I532 WeakPolarHBondContact CD1-O 3.5Å; Y500-I532 VanDerWaalsContact CE1-C 3.48Å; Y500-I532 WeakPolarHBondContact CE1-O 3.43Å; Y500-I532 PolarHBondContact N-O 3.01Å; Y500-E533 HydrophobicContact CE1-CB 4.37Å; Y500-E533 HydrophobicContact CE2-CB 4.21Å; Y500-E533 HydrophobicContact CE2-CG 4.16Å; Y500-E533 CarbonylContact O-C 3.55Å; Y500-E533 VanDerWaalsContact O-CA 3.31Å; Y500-E533 WeakPolarHBondContact O-CA 3.22Å; Y500-E533 PolarHBondContact OH-OE2 3.16Å; Y500-V534 PolarHBondContact O-N 3.48Å
501	T	96.2	Very high	95.9	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.025	22%	0.216	C	C	.	.			trans	-87.7	147.2	171.2	64.4	0	0	0	0	110.7	R503 N504 V534 D536 Y541 S561	T501-R503 VanDerWaalsContact C-N 3.26Å; T501-R503 PolarHBondContact O-N 2.9Å; T501-R503 WeakPolarHBondContact OG1-CG 3.27Å; T501-N504 WeakPolarHBondContact O-CA 3.41Å; T501-N504 WeakPolarHBondContact O-CB 3.32Å; T501-N504 PolarHBondContact O-N 3.03Å; T501-N504 PolarHBondContact OG1-ND2 2.91Å; T501-V534 VanDerWaalsContact CA-O 3.28Å; T501-V534 WeakPolarHBondContact CA-O 3.28Å; T501-V534 HydrophobicContact CG2-CG1 4.48Å; T501-D536 HydrophobicContact CG2-CB 3.72Å; T501-D536 WeakPolarHBondContact CG2-OD1 3.46Å; T501-Y541 WeakPolarHBondContact CG2-OH 3.31Å; T501-S561 PolarHBondContact OG1-OG 2.97Å
502	R	94.7	Very high	95.9	Very high	194 Å²	194	45 Å²	45	73%	0.732	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-38.7	-50.6	178.9	-163.7	169.2	176.3	152.2	-4.4	114.7	N504 Y505 E533	R502-N504 PolarHBondContact O-N 3.03Å; R502-N504 VanDerWaalsContact O-N 3.11Å; R502-Y505 WeakPolarHBondContact O-CB 3.4Å; R502-Y505 PolarHBondContact O-N 2.89Å; R502-E533 HydrophobicContact CB-CG 4.24Å; R502-E533 VanDerWaalsContact CB-OE1 3.25Å; R502-E533 WeakPolarHBondContact CB-OE1 3.16Å; R502-E533 VanDerWaalsContact CD-OE1 3.3Å; R502-E533 WeakPolarHBondContact CD-OE1 3.37Å; R502-E533 VanDerWaalsContact CG-OE1 3.27Å; R502-E533 WeakPolarHBondContact CG-OE1 3.45Å
503	R	94.4	Very high	96	Very high	177 Å²	177	48 Å²	48	67%	0.668	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-60.9	-16.4	178.2	63.3	167.6	171.2	-169.1	-6.6	116.5	T501 D536 S561	T501-R503 VanDerWaalsContact C-N 3.26Å; T501-R503 PolarHBondContact O-N 2.9Å; T501-R503 WeakPolarHBondContact OG1-CG 3.27Å; R503-D536 IonicContact CZ-OD2 3.08Å; R503-D536 IonicContact NH2-OD2 2.66Å; R503-D536 PolarHBondContact NH2-OD2 2.89Å; R503-S561 PolarHBondContact NE-OG 2.9Å; R503-S561 VanDerWaalsContact NE-OG 3.08Å; R503-S561 PolarHBondContact NH2-OG 2.83Å
504	N	95.4	Very high	96	Very high	18 Å²	18	48.7 Å²	48.7	10%	0.096	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-107.3	9.8	-177.9	-64.1	-23.6	0	0	0	112.1	T501 R502 E506 A507 A508 L559 S561 A588	T501-N504 WeakPolarHBondContact O-CA 3.41Å; T501-N504 WeakPolarHBondContact O-CB 3.32Å; T501-N504 PolarHBondContact O-N 3.03Å; T501-N504 PolarHBondContact OG1-ND2 2.91Å; R502-N504 PolarHBondContact O-N 3.03Å; R502-N504 VanDerWaalsContact O-N 3.11Å; N504-E506 VanDerWaalsContact C-N 3.34Å; N504-E506 PolarHBondContact O-N 3.31Å; N504-A507 PolarHBondContact O-N 3.2Å; N504-A507 VanDerWaalsContact O-N 3.13Å; N504-A508 PolarHBondContact O-N 2.83Å; N504-L559 HydrophobicContact CB-CD2 3.84Å; N504-L559 HydrophobicContact CB-CG 4.34Å; N504-S561 WeakPolarHBondContact ND2-CA 3.42Å; N504-S561 PolarHBondContact ND2-OG 3.32Å; N504-S561 VanDerWaalsContact ND2-OG 3.09Å; N504-A588 HydrophobicContact CB-CB 4.28Å
505	Y	95.8	Very high	96	Very high	118 Å²	118	45.9 Å²	45.9	46%	0.463	20%	0.204	S	C	.	.	H	α-helix	trans	-55	-43.6	-177.5	177	-111.7	0	0	0	113.4	Y500 R502 A507 A508 N509 M531	Y500-Y505 HydrophobicContact CD2-CD2 4.45Å; Y500-Y505 AromaticContact CE2-CD2 3.65Å; Y500-Y505 HydrophobicContact CE2-CD2 3.65Å; Y500-Y505 HydrophobicContact CE2-CG 4.25Å; Y500-Y505 AromaticContact CZ-CD2 3.78Å; R502-Y505 WeakPolarHBondContact O-CB 3.4Å; R502-Y505 PolarHBondContact O-N 2.89Å; Y505-A507 PolarHBondContact O-N 3.47Å; Y505-A508 WeakPolarHBondContact O-CB 3.2Å; Y505-A508 PolarHBondContact O-N 3.48Å; Y505-N509 WeakPolarHBondContact CE1-ND2 3.4Å; Y505-N509 WeakPolarHBondContact CE2-ND2 3.34Å; Y505-N509 PolarHBondContact O-N 2.85Å; Y505-N509 PolarHBondContact O-ND2 3.36Å; Y505-N509 PolarHBondContact OH-ND2 3.44Å; Y505-M531 HydrophobicContact CD2-CE 4.15Å; Y505-M531 HydrophobicContact CE2-CE 4.03Å
506	E	94.6	Very high	95.9	Very high	165 Å²	165	47.8 Å²	47.8	77%	0.771	21%	0.21	S	C	*	.	H	α-helix	trans	-63.4	-42.2	176.5	-64.3	-177.1	174.2	0	0	112.3	N504 A508 N509 S510	N504-E506 VanDerWaalsContact C-N 3.34Å; N504-E506 PolarHBondContact O-N 3.31Å; E506-A508 VanDerWaalsContact C-N 3.33Å; E506-A508 PolarHBondContact O-N 2.95Å; E506-N509 PolarHBondContact O-N 3.03Å; E506-S510 VanDerWaalsContact O-CB 3.3Å; E506-S510 WeakPolarHBondContact O-CB 3.27Å; E506-S510 PolarHBondContact O-N 3.29Å
507	A	95.2	Very high	95.7	Very high	21 Å²	21	54.2 Å²	54.2	17%	0.174	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-35.4	176.3	0	0	0	0	0	111.8	N504 Y505 L511 L559 L591	N504-A507 PolarHBondContact O-N 3.2Å; N504-A507 VanDerWaalsContact O-N 3.13Å; Y505-A507 PolarHBondContact O-N 3.47Å; A507-L511 WeakPolarHBondContact O-CB 3.43Å; A507-L511 PolarHBondContact O-N 3.44Å; A507-L559 HydrophobicContact CB-CD2 4.05Å; A507-L591 HydrophobicContact CB-CD1 4.24Å; A507-L591 WeakPolarHBondContact O-CD1 3.33Å
508	A	96.1	Very high	95.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-47.1	173.7	0	0	0	0	0	111.7	L498 Y500 N504 Y505 E506 L511 I512 M531 L559	L498-A508 HydrophobicContact CD2-CB 3.84Å; Y500-A508 HydrophobicContact CD1-CB 4.39Å; Y500-A508 HydrophobicContact CD2-CB 4.38Å; Y500-A508 HydrophobicContact CG-CB 3.95Å; N504-A508 PolarHBondContact O-N 2.83Å; Y505-A508 WeakPolarHBondContact O-CB 3.2Å; Y505-A508 PolarHBondContact O-N 3.48Å; E506-A508 VanDerWaalsContact C-N 3.33Å; E506-A508 PolarHBondContact O-N 2.95Å; A508-L511 PolarHBondContact O-N 3.36Å; A508-I512 PolarHBondContact O-N 3.37Å; A508-M531 HydrophobicContact CB-CE 3.89Å; A508-L559 HydrophobicContact CB-CD2 3.71Å
509	N	95.3	Very high	95.3	Very high	40 Å²	40	54.8 Å²	54.8	21%	0.214	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-43.6	174.8	-82.5	-49.5	0	0	0	112.5	Y505 E506 L511 I512 Q513	Y505-N509 WeakPolarHBondContact CE1-ND2 3.4Å; Y505-N509 WeakPolarHBondContact CE2-ND2 3.34Å; Y505-N509 PolarHBondContact O-N 2.85Å; Y505-N509 PolarHBondContact O-ND2 3.36Å; Y505-N509 PolarHBondContact OH-ND2 3.44Å; E506-N509 PolarHBondContact O-N 3.03Å; N509-L511 VanDerWaalsContact C-N 3.3Å; N509-L511 PolarHBondContact O-N 3.39Å; N509-I512 PolarHBondContact O-N 2.81Å; N509-Q513 WeakPolarHBondContact O-CB 3.49Å; N509-Q513 WeakPolarHBondContact O-CG 3.33Å; N509-Q513 PolarHBondContact O-N 2.88Å
510	S	94.6	Very high	95.1	Very high	17 Å²	17	59 Å²	59	12%	0.119	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-41.3	175.3	-177.8	0	0	0	0	111.4	E506 N514	E506-S510 VanDerWaalsContact O-CB 3.3Å; E506-S510 WeakPolarHBondContact O-CB 3.27Å; E506-S510 PolarHBondContact O-N 3.29Å; S510-N514 WeakPolarHBondContact O-CB 3.34Å; S510-N514 PolarHBondContact O-N 2.78Å; S510-N514 PolarHBondContact O-ND2 3.48Å
511	L	95.9	Very high	94.9	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-50.2	173.5	-178.8	58.9	0	0	0	111.6	A507 A508 N509 Q513 N514 L515 V557 V586 L591 A601 I604	A507-L511 WeakPolarHBondContact O-CB 3.43Å; A507-L511 PolarHBondContact O-N 3.44Å; A508-L511 PolarHBondContact O-N 3.36Å; N509-L511 VanDerWaalsContact C-N 3.3Å; N509-L511 PolarHBondContact O-N 3.39Å; L511-Q513 PolarHBondContact O-N 2.86Å; L511-N514 PolarHBondContact O-N 3.4Å; L511-L515 HydrophobicContact CD1-CD1 4.04Å; L511-L515 HydrophobicContact CD1-CG 4.04Å; L511-L515 HydrophobicContact CG-CD1 3.88Å; L511-L515 HydrophobicContact CG-CG 4.32Å; L511-L515 WeakPolarHBondContact O-CB 3.4Å; L511-L515 VanDerWaalsContact O-CG 3.29Å; L511-L515 WeakPolarHBondContact O-CG 3.43Å; L511-L515 PolarHBondContact O-N 2.87Å; L511-V557 HydrophobicContact CD2-CG1 4.36Å; L511-V586 HydrophobicContact CD2-CG2 4.27Å; L511-L591 HydrophobicContact CB-CD1 3.88Å; L511-L591 HydrophobicContact CD1-CD2 4.21Å; L511-L591 HydrophobicContact CD2-CD1 4.39Å; L511-A601 HydrophobicContact CD1-CB 4.47Å; L511-I604 HydrophobicContact CD1-CD1 3.84Å
512	I	95.7	Very high	94.7	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.062	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-50.1	178.4	-74.1	172.9	0	0	0	111.1	W496 L498 A508 N509 N514 L515 F516 A529 M531	W496-I512 HydrophobicContact CH2-CG1 4.41Å; L498-I512 HydrophobicContact CD2-CD1 3.47Å; L498-I512 VanDerWaalsContact CD2-CD1 3.47Å; L498-I512 HydrophobicContact CD2-CG1 3.66Å; A508-I512 PolarHBondContact O-N 3.37Å; N509-I512 PolarHBondContact O-N 2.81Å; I512-N514 VanDerWaalsContact C-N 3.31Å; I512-N514 PolarHBondContact O-N 3.07Å; I512-L515 PolarHBondContact O-N 2.89Å; I512-F516 HydrophobicContact CG2-CD2 3.58Å; I512-F516 HydrophobicContact CG2-CE2 3.63Å; I512-F516 WeakPolarHBondContact O-CD2 3.47Å; I512-F516 PolarHBondContact O-N 2.89Å; I512-A529 HydrophobicContact CD1-CB 3.86Å; I512-A529 HydrophobicContact CG1-CB 4.4Å; I512-M531 HydrophobicContact CD1-CE 4.14Å; I512-M531 HydrophobicContact CD1-CG 3.68Å; I512-M531 HydrophobicContact CD1-SD 3.44Å; I512-M531 WeakPolarHBondContact CD1-SD 3.5Å
513	Q	94.9	Very high	94.7	Very high	113 Å²	113	53.6 Å²	53.6	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-60.5	-39.3	180	-72.4	-179.9	2.6	0	0	112.4	N509 L511 K517	N509-Q513 WeakPolarHBondContact O-CB 3.49Å; N509-Q513 WeakPolarHBondContact O-CG 3.33Å; N509-Q513 PolarHBondContact O-N 2.88Å; L511-Q513 PolarHBondContact O-N 2.86Å; Q513-K517 VanDerWaalsContact O-CG 3.3Å; Q513-K517 WeakPolarHBondContact O-CG 3.33Å; Q513-K517 PolarHBondContact O-N 2.82Å
514	N	95.3	Very high	94.7	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-74.6	-34.5	177.1	-78.5	-84.1	0	0	0	112.2	S510 L511 I512 K517 V518 V597 A601	S510-N514 WeakPolarHBondContact O-CB 3.34Å; S510-N514 PolarHBondContact O-N 2.78Å; S510-N514 PolarHBondContact O-ND2 3.48Å; L511-N514 PolarHBondContact O-N 3.4Å; I512-N514 VanDerWaalsContact C-N 3.31Å; I512-N514 PolarHBondContact O-N 3.07Å; N514-K517 PolarHBondContact O-N 3.4Å; N514-V518 WeakPolarHBondContact O-CG1 3.32Å; N514-V518 WeakPolarHBondContact O-CG2 3.23Å; N514-V518 PolarHBondContact O-N 2.95Å; N514-V597 HydrophobicContact CB-CG1 4.15Å; N514-V597 WeakPolarHBondContact ND2-CG1 3.47Å; N514-A601 HydrophobicContact CB-CB 3.61Å
515	L	95.8	Very high	94.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-50.2	171.9	-73.4	172	0	0	0	110.7	W496 L511 I512 K517 V518 T519 M526 A601 I604 A605	W496-L515 HydrophobicContact CH2-CD1 4.14Å; L511-L515 HydrophobicContact CD1-CD1 4.04Å; L511-L515 HydrophobicContact CD1-CG 4.04Å; L511-L515 HydrophobicContact CG-CD1 3.88Å; L511-L515 HydrophobicContact CG-CG 4.32Å; L511-L515 WeakPolarHBondContact O-CB 3.4Å; L511-L515 VanDerWaalsContact O-CG 3.29Å; L511-L515 WeakPolarHBondContact O-CG 3.43Å; L511-L515 PolarHBondContact O-N 2.87Å; I512-L515 PolarHBondContact O-N 2.89Å; L515-K517 PolarHBondContact O-N 3.4Å; L515-K517 VanDerWaalsContact O-N 3.14Å; L515-V518 WeakPolarHBondContact O-CG2 3.47Å; L515-V518 PolarHBondContact O-N 3.02Å; L515-T519 WeakPolarHBondContact O-CG2 3.29Å; L515-T519 PolarHBondContact O-N 2.84Å; L515-T519 PolarHBondContact O-OG1 3.02Å; L515-M526 HydrophobicContact CB-CE 3.51Å; L515-M526 HydrophobicContact CB-SD 3.85Å; L515-M526 HydrophobicContact CD1-CE 4.44Å; L515-A601 HydrophobicContact CD2-CB 4.31Å; L515-I604 HydrophobicContact CD2-CG2 4.23Å; L515-A605 HydrophobicContact CD2-CB 3.87Å
516	F	94.9	Very high	94.6	Very high	81 Å²	81	47.1 Å²	47.1	36%	0.355	25%	0.254	S	S	.	.	H	α-helix	trans	-56.2	-29.3	175	-90.7	-69.9	0	0	0	114.2	I512 P520 M526 K528	I512-F516 HydrophobicContact CG2-CD2 3.58Å; I512-F516 HydrophobicContact CG2-CE2 3.63Å; I512-F516 WeakPolarHBondContact O-CD2 3.47Å; I512-F516 PolarHBondContact O-N 2.89Å; F516-P520 WeakPolarHBondContact O-CD 3.48Å; F516-P520 WeakPolarHBondContact O-CG 3.19Å; F516-M526 HydrophobicContact CD1-CE 4.38Å; F516-M526 HydrophobicContact CD1-SD 4.4Å; F516-M526 HydrophobicContact CD2-CE 3.59Å; F516-M526 HydrophobicContact CE1-CG 4.29Å; F516-M526 WeakPolarHBondContact CE1-O 3.4Å; F516-M526 HydrophobicContact CE2-CE 3.76Å; F516-M526 HydrophobicContact CG-CE 3.92Å; F516-M526 HydrophobicContact CG-SD 4.35Å; F516-M526 HydrophobicContact CZ-CE 4.24Å; F516-M526 HydrophobicContact CZ-CG 4.47Å; F516-K528 HydrophobicContact CZ-CB 4.38Å
517	K	93.7	Very high	94.6	Very high	136 Å²	136	45.2 Å²	45.2	59%	0.591	24%	0.243	S	C	*	.	H	α-helix	trans	-77.7	-30.1	176.5	-73.7	169.7	-177.1	178	0	113.4	Q513 N514 L515	Q513-K517 VanDerWaalsContact O-CG 3.3Å; Q513-K517 WeakPolarHBondContact O-CG 3.33Å; Q513-K517 PolarHBondContact O-N 2.82Å; N514-K517 PolarHBondContact O-N 3.4Å; L515-K517 PolarHBondContact O-N 3.4Å; L515-K517 VanDerWaalsContact O-N 3.14Å
518	V	93.3	Very high	94.5	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.085	27%	0.269	C	S	.	.	H	α-helix	trans	-101	-26.4	-172.9	-56.9	0	0	0	0	113.6	N514 L515 M522 M598 A605	N514-V518 WeakPolarHBondContact O-CG1 3.32Å; N514-V518 WeakPolarHBondContact O-CG2 3.23Å; N514-V518 PolarHBondContact O-N 2.95Å; L515-V518 WeakPolarHBondContact O-CG2 3.47Å; L515-V518 PolarHBondContact O-N 3.02Å; V518-M522 HydrophobicContact CB-CE 4.37Å; V518-M522 HydrophobicContact CG2-CE 4.31Å; V518-M598 HydrophobicContact CG1-CG 3.82Å; V518-A605 HydrophobicContact CG2-CB 4.26Å
519	T	94.4	Very high	94.5	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.272	C	S	.	.	S	Bend	trans	-67.3	-36.3	-178.1	47.7	0	0	0	0	114.8	L515 A521 M522 G523 M524 M526 A605	L515-T519 WeakPolarHBondContact O-CG2 3.29Å; L515-T519 PolarHBondContact O-N 2.84Å; L515-T519 PolarHBondContact O-OG1 3.02Å; T519-A521 VanDerWaalsContact C-N 3.35Å; T519-A521 PolarHBondContact O-N 2.83Å; T519-M522 WeakPolarHBondContact O-CB 3.41Å; T519-M522 PolarHBondContact O-N 3.4Å; T519-G523 PolarHBondContact O-N 2.89Å; T519-M524 CarbonylContact C-O 3.58Å; T519-M524 HydrophobicContact CG2-CB 4.26Å; T519-M524 HydrophobicContact CG2-CG 4.12Å; T519-M524 HydrophobicContact CG2-SD 3.54Å; T519-M524 VanDerWaalsContact CG2-SD 3.54Å; T519-M524 WeakPolarHBondContact O-CB 3.44Å; T519-M524 PolarHBondContact O-N 2.87Å; T519-M526 HydrophobicContact CG2-SD 3.9Å; T519-A605 HydrophobicContact CG2-CB 4.01Å
520	P	94	Very high	94.6	Very high	87 Å²	87	54.6 Å²	54.6	57%	0.565	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-62.3	-40.4	-179.9	-24.4	35.6	0	0	0	112.8	F516 M522 G523	F516-P520 WeakPolarHBondContact O-CD 3.48Å; F516-P520 WeakPolarHBondContact O-CG 3.19Å; P520-M522 PolarHBondContact O-N 2.83Å; P520-G523 PolarHBondContact O-N 2.88Å
521	A	91.9	Very high	94.7	Very high	49 Å²	49	56.1 Å²	56.1	41%	0.405	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.8	-11.6	179	0	0	0	0	0	113.7	G484 A485 T519	G484-A521 CarbonylContact C-O 3.48Å; A485-A521 CarbonylContact C-O 3.48Å; A485-A521 VanDerWaalsContact C-O 3.25Å; T519-A521 VanDerWaalsContact C-N 3.35Å; T519-A521 PolarHBondContact O-N 2.83Å
522	M	93.9	Very high	94.8	Very high	12 Å²	12	57.3 Å²	57.3	6%	0.059	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-89.2	-5.7	168.9	-63.8	178.5	-173.3	0	0	112.8	P486 L487 V490 V518 T519 P520 M524 T602 A605 L606	P486-M522 WeakPolarHBondContact CA-O 3.27Å; L487-M522 HydrophobicContact CD1-CB 4.03Å; L487-M522 HydrophobicContact CD1-SD 4.43Å; L487-M522 HydrophobicContact CG-CB 3.97Å; L487-M522 HydrophobicContact CG-CG 4.48Å; L487-M522 PolarHBondContact N-O 3.16Å; V490-M522 WeakPolarHBondContact CG2-O 3.27Å; V518-M522 HydrophobicContact CB-CE 4.37Å; V518-M522 HydrophobicContact CG2-CE 4.31Å; T519-M522 WeakPolarHBondContact O-CB 3.41Å; T519-M522 PolarHBondContact O-N 3.4Å; P520-M522 PolarHBondContact O-N 2.83Å; M522-M524 VanDerWaalsContact C-N 3.31Å; M522-M524 HydrophobicContact CB-CB 4.46Å; M522-T602 HydrophobicContact CE-CG2 3.49Å; M522-T602 VanDerWaalsContact CE-CG2 3.49Å; M522-A605 HydrophobicContact CE-CB 4.07Å; M522-A605 HydrophobicContact SD-CB 3.88Å; M522-L606 HydrophobicContact CE-CD2 4.01Å; M522-L606 HydrophobicContact CE-CG 3.94Å; M522-L606 HydrophobicContact SD-CD2 3.94Å; M522-L606 HydrophobicContact SD-CG 4.32Å
523	G	93.8	Very high	94.9	Very high	44 Å²	44	60.9 Å²	60.9	45%	0.454	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	14.3	-168.6	0	0	0	0	0	113.8	T519 P520	T519-G523 PolarHBondContact O-N 2.89Å; P520-G523 PolarHBondContact O-N 2.88Å
524	M	94.4	Very high	95	Very high	5 Å²	5	56 Å²	56	3%	0.025	29%	0.289	C	S	.	.			trans	-93	111	-177.8	-179.3	-179.2	-76	0	0	111.4	V490 L493 T519 M522 N609 M612	V490-M524 VanDerWaalsContact CG1-CA 3.47Å; V490-M524 HydrophobicContact CG1-CB 3.54Å; V490-M524 HydrophobicContact CG1-CE 4.2Å; V490-M524 HydrophobicContact CG1-CG 3.98Å; L493-M524 HydrophobicContact CD1-SD 3.59Å; L493-M524 VanDerWaalsContact CD1-SD 3.59Å; L493-M524 HydrophobicContact CG-SD 4.08Å; T519-M524 CarbonylContact C-O 3.58Å; T519-M524 HydrophobicContact CG2-CB 4.26Å; T519-M524 HydrophobicContact CG2-CG 4.12Å; T519-M524 HydrophobicContact CG2-SD 3.54Å; T519-M524 VanDerWaalsContact CG2-SD 3.54Å; T519-M524 WeakPolarHBondContact O-CB 3.44Å; T519-M524 PolarHBondContact O-N 2.87Å; M522-M524 VanDerWaalsContact C-N 3.31Å; M522-M524 HydrophobicContact CB-CB 4.46Å; M524-N609 HydrophobicContact CE-CB 3.64Å; M524-N609 WeakPolarHBondContact CE-OD1 3.37Å; M524-M612 HydrophobicContact CE-CE 4.46Å
525	Q	93.6	Very high	95	Very high	151 Å²	151	59.4 Å²	59.4	71%	0.706	31%	0.307	S	S	*	.			trans	-71	131.5	165	-64.6	-177	-3.6	0	0	109.3	L493	L493-Q525 PolarHBondContact N-O 3.3Å
526	M	95.1	Very high	94.8	Very high	21 Å²	21	61.4 Å²	61.4	10%	0.103	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-139.4	115.8	-174.4	174.2	-176.8	158.7	0	0	108.9	L493 W496 L515 F516 T519	L493-M526 HydrophobicContact CB-CB 4.2Å; L493-M526 HydrophobicContact CB-CG 4.14Å; L493-M526 HydrophobicContact CD1-CG 4.16Å; L493-M526 HydrophobicContact CD1-SD 4.45Å; W496-M526 HydrophobicContact CH2-CE 3.88Å; W496-M526 HydrophobicContact CZ2-CE 3.46Å; W496-M526 VanDerWaalsContact CZ2-CE 3.46Å; W496-M526 HydrophobicContact CZ2-CG 4.24Å; W496-M526 HydrophobicContact CZ2-SD 4.43Å; L515-M526 HydrophobicContact CB-CE 3.51Å; L515-M526 HydrophobicContact CB-SD 3.85Å; L515-M526 HydrophobicContact CD1-CE 4.44Å; F516-M526 HydrophobicContact CD1-CE 4.38Å; F516-M526 HydrophobicContact CD1-SD 4.4Å; F516-M526 HydrophobicContact CD2-CE 3.59Å; F516-M526 HydrophobicContact CE1-CG 4.29Å; F516-M526 WeakPolarHBondContact CE1-O 3.4Å; F516-M526 HydrophobicContact CE2-CE 3.76Å; F516-M526 HydrophobicContact CG-CE 3.92Å; F516-M526 HydrophobicContact CG-SD 4.35Å; F516-M526 HydrophobicContact CZ-CE 4.24Å; F516-M526 HydrophobicContact CZ-CG 4.47Å; T519-M526 HydrophobicContact CG2-SD 3.9Å
527	K	95.6	Very high	94.8	Very high	124 Å²	124	64.1 Å²	64.1	54%	0.539	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-81.2	163.7	167.2	-69	-178.1	178.5	142.9	0	109.8	L493 D494 W496 A529	L493-K527 PolarHBondContact O-N 3.42Å; D494-K527 HydrophobicContact CB-CD 4.3Å; D494-K527 WeakPolarHBondContact OD1-CD 3.49Å; D494-K527 WeakPolarHBondContact OD1-CE 3.42Å; D494-K527 IonicContact OD1-NZ 3.64Å; D494-K527 PolarHBondContact OD1-NZ 2.71Å; W496-K527 PolarHBondContact NE1-O 3.28Å; K527-A529 PolarHBondContact O-N 2.71Å
528	K	93.1	Very high	94.8	Very high	166 Å²	166	58.6 Å²	58.6	72%	0.722	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-62.8	133	179.9	-171.8	178.3	178.8	-177.4	0	110.1	F516	F516-K528 HydrophobicContact CZ-CB 4.38Å
529	A	95.7	Very high	94.9	Very high	7 Å²	7	63.1 Å²	63.1	6%	0.058	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-59.7	144.3	176.7	0	0	0	0	0	111.6	W496 L498 I512 K527 M531	W496-A529 HydrophobicContact CD2-CB 4.06Å; W496-A529 HydrophobicContact CE3-CB 4.07Å; W496-A529 HydrophobicContact CH2-CB 3.55Å; W496-A529 HydrophobicContact CZ2-CB 3.48Å; W496-A529 VanDerWaalsContact CZ2-CB 3.48Å; W496-A529 HydrophobicContact CZ3-CB 3.83Å; L498-A529 HydrophobicContact CB-CB 4.01Å; I512-A529 HydrophobicContact CD1-CB 3.86Å; I512-A529 HydrophobicContact CG1-CB 4.4Å; K527-A529 PolarHBondContact O-N 2.71Å; A529-M531 HydrophobicContact CB-CG 4.41Å; A529-M531 PolarHBondContact O-N 3.5Å; A529-M531 VanDerWaalsContact O-N 3.16Å
530	I	97.2	Very high	94.9	Very high	86 Å²	86	63.4 Å²	63.4	44%	0.441	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	100.8	161.9	-57.9	173.7	0	0	0	106.7	W496 L497 L498 I532	W496-I530 PolarHBondContact O-N 2.7Å; L497-I530 WeakPolarHBondContact CA-O 3.32Å; L497-I530 HydrophobicContact CD2-CB 3.72Å; L497-I530 HydrophobicContact CD2-CD1 3.99Å; L497-I530 HydrophobicContact CD2-CG1 4.37Å; L497-I530 HydrophobicContact CD2-CG2 4.03Å; L498-I530 PolarHBondContact N-O 3.34Å; I530-I532 HydrophobicContact CG2-CD1 4.44Å; I530-I532 HydrophobicContact CG2-CG1 4.23Å
531	M	97.6	Very high	95.1	Very high	49 Å²	49	59.3 Å²	59.3	24%	0.241	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128	179.7	-68.5	-175.2	71.6	0	0	110.3	L498 Y500 Y505 A508 I512 A529	L498-M531 HydrophobicContact CB-CG 4.49Å; L498-M531 HydrophobicContact CD2-CE 4.45Å; L498-M531 WeakPolarHBondContact O-CA 3.26Å; Y500-M531 HydrophobicContact CD1-CE 4.17Å; Y500-M531 HydrophobicContact CE1-CB 3.98Å; Y500-M531 HydrophobicContact CE1-CE 3.94Å; Y505-M531 HydrophobicContact CD2-CE 4.15Å; Y505-M531 HydrophobicContact CE2-CE 4.03Å; A508-M531 HydrophobicContact CB-CE 3.89Å; I512-M531 HydrophobicContact CD1-CE 4.14Å; I512-M531 HydrophobicContact CD1-CG 3.68Å; I512-M531 HydrophobicContact CD1-SD 3.44Å; I512-M531 WeakPolarHBondContact CD1-SD 3.5Å; A529-M531 HydrophobicContact CB-CG 4.41Å; A529-M531 PolarHBondContact O-N 3.5Å; A529-M531 VanDerWaalsContact O-N 3.16Å
532	I	97.9	Very high	95.3	Very high	25 Å²	25	59 Å²	59	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.4	-178.7	-56	159.7	0	0	0	109.4	L497 L498 I499 Y500 I530 V544 K548	L497-I532 HydrophobicContact CB-CD1 4.36Å; L497-I532 HydrophobicContact CD1-CD1 4.09Å; L497-I532 HydrophobicContact CD2-CD1 4.22Å; L497-I532 HydrophobicContact CG-CD1 4.45Å; L498-I532 PolarHBondContact O-N 2.9Å; I499-I532 WeakPolarHBondContact CA-O 3.46Å; I499-I532 HydrophobicContact CG1-CB 4.41Å; I499-I532 HydrophobicContact CG1-CD1 4.38Å; Y500-I532 VanDerWaalsContact CD1-O 3.29Å; Y500-I532 WeakPolarHBondContact CD1-O 3.5Å; Y500-I532 VanDerWaalsContact CE1-C 3.48Å; Y500-I532 WeakPolarHBondContact CE1-O 3.43Å; Y500-I532 PolarHBondContact N-O 3.01Å; I530-I532 HydrophobicContact CG2-CD1 4.44Å; I530-I532 HydrophobicContact CG2-CG1 4.23Å; I532-V544 HydrophobicContact CB-CG1 4.37Å; I532-V544 HydrophobicContact CD1-CG1 4.16Å; I532-V544 HydrophobicContact CG2-CG1 3.63Å; I532-V544 HydrophobicContact CG2-CG2 4.32Å; I532-K548 HydrophobicContact CD1-CB 3.81Å; I532-K548 HydrophobicContact CD1-CG 3.9Å
533	E	97.6	Very high	95.5	Very high	88 Å²	88	64.6 Å²	64.6	41%	0.411	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	141.4	172	-168.5	160.8	124	0	0	110.9	Y500 R502	Y500-E533 HydrophobicContact CE1-CB 4.37Å; Y500-E533 HydrophobicContact CE2-CB 4.21Å; Y500-E533 HydrophobicContact CE2-CG 4.16Å; Y500-E533 CarbonylContact O-C 3.55Å; Y500-E533 VanDerWaalsContact O-CA 3.31Å; Y500-E533 WeakPolarHBondContact O-CA 3.22Å; Y500-E533 PolarHBondContact OH-OE2 3.16Å; R502-E533 HydrophobicContact CB-CG 4.24Å; R502-E533 VanDerWaalsContact CB-OE1 3.25Å; R502-E533 WeakPolarHBondContact CB-OE1 3.16Å; R502-E533 VanDerWaalsContact CD-OE1 3.3Å; R502-E533 WeakPolarHBondContact CD-OE1 3.37Å; R502-E533 VanDerWaalsContact CG-OE1 3.27Å; R502-E533 WeakPolarHBondContact CG-OE1 3.45Å
534	V	96.4	Very high	95.6	Very high	11 Å²	11	63.4 Å²	63.4	7%	0.067	30%	0.295	C	S	.	.			trans	-144.2	150.8	177.6	74	0	0	0	0	111.9	I499 Y500 T501 A540 Y541 V544	I499-V534 HydrophobicContact CG2-CB 4.04Å; I499-V534 HydrophobicContact CG2-CG1 3.52Å; Y500-V534 PolarHBondContact O-N 3.48Å; T501-V534 VanDerWaalsContact CA-O 3.28Å; T501-V534 WeakPolarHBondContact CA-O 3.28Å; T501-V534 HydrophobicContact CG2-CG1 4.48Å; V534-A540 VanDerWaalsContact CG2-C 3.43Å; V534-A540 HydrophobicContact CG2-CB 3.6Å; V534-Y541 HydrophobicContact CG1-CD1 3.95Å; V534-Y541 HydrophobicContact CG1-CD2 4.24Å; V534-Y541 HydrophobicContact CG1-CE1 3.65Å; V534-Y541 HydrophobicContact CG1-CE2 3.96Å; V534-Y541 HydrophobicContact CG1-CG 4.24Å; V534-V544 HydrophobicContact CB-CG2 4.27Å; V534-V544 HydrophobicContact CG2-CG2 3.75Å
535	D	94.4	Very high	95.7	Very high	87 Å²	87	63.2 Å²	63.2	47%	0.465	29%	0.294	S	S	.	.			trans	-61.4	150.1	166.2	-69.6	-25.5	0	0	0	111	R537 A540	D535-R537 HydrophobicContact CB-CB 4.46Å; D535-R537 HydrophobicContact CB-CG 4.37Å; D535-R537 PolarHBondContact O-N 2.96Å; D535-R537 IonicContact OD2-CZ 2.7Å; D535-R537 IonicContact OD2-NE 3.31Å; D535-R537 PolarHBondContact OD2-NE 3.08Å; D535-R537 IonicContact OD2-NH2 3.82Å; D535-R537 PolarHBondContact OD2-NH2 2.96Å; D535-A540 HydrophobicContact CB-CB 3.85Å
536	D	92.4	Very high	95.9	Very high	44 Å²	44	61.3 Å²	61.3	24%	0.235	29%	0.285	C	S	.	.	S	Bend	trans	-76.5	29	179.8	-157.4	36.9	0	0	0	114.3	T501 R503 S561 K567	T501-D536 HydrophobicContact CG2-CB 3.72Å; T501-D536 WeakPolarHBondContact CG2-OD1 3.46Å; R503-D536 IonicContact CZ-OD2 3.08Å; R503-D536 IonicContact NH2-OD2 2.66Å; R503-D536 PolarHBondContact NH2-OD2 2.89Å; D536-S561 VanDerWaalsContact CG-OG 3.26Å; D536-S561 PolarHBondContact OD1-OG 2.89Å; D536-S561 VanDerWaalsContact OD1-OG 3.06Å; D536-S561 WeakPolarHBondContact OD2-CB 3.35Å; D536-S561 PolarHBondContact OD2-OG 2.87Å; D536-K567 PolarHBondContact O-NZ 3.25Å; D536-K567 VanDerWaalsContact O-NZ 3.07Å; D536-K567 IonicContact OD1-NZ 3.89Å; D536-K567 PolarHBondContact OD1-NZ 2.88Å; D536-K567 IonicContact OD2-NZ 3.72Å; D536-K567 PolarHBondContact OD2-NZ 2.91Å
537	R	93.8	Very high	95.9	Very high	139 Å²	139	67.3 Å²	67.3	53%	0.525	31%	0.313	S	S	.	.	S	Bend	trans	-105.8	138.8	-178.5	-63.3	-173.7	-74.4	179.9	-5.6	111.3	D535 E539 A540 Y541	D535-R537 HydrophobicContact CB-CB 4.46Å; D535-R537 HydrophobicContact CB-CG 4.37Å; D535-R537 PolarHBondContact O-N 2.96Å; D535-R537 IonicContact OD2-CZ 2.7Å; D535-R537 IonicContact OD2-NE 3.31Å; D535-R537 PolarHBondContact OD2-NE 3.08Å; D535-R537 IonicContact OD2-NH2 3.82Å; D535-R537 PolarHBondContact OD2-NH2 2.96Å; R537-E539 VanDerWaalsContact C-N 3.3Å; R537-E539 PolarHBondContact O-N 3.38Å; R537-A540 HydrophobicContact CB-CB 4.23Å; R537-A540 WeakPolarHBondContact O-CB 3.41Å; R537-A540 PolarHBondContact O-N 2.84Å; R537-Y541 WeakPolarHBondContact O-CD2 3.36Å; R537-Y541 PolarHBondContact O-N 3.1Å
538	T	93.9	Very high	96	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-41.2	-174.8	-54.6	0	0	0	0	112.8	A540 Y541 L542 D566 K567 A570	T538-A540 VanDerWaalsContact C-N 3.27Å; T538-A540 PolarHBondContact O-N 2.91Å; T538-Y541 PolarHBondContact O-N 2.93Å; T538-L542 PolarHBondContact O-N 3.1Å; T538-L542 VanDerWaalsContact O-N 3.09Å; T538-D566 PolarHBondContact OG1-OD2 3.32Å; T538-K567 VanDerWaalsContact OG1-CG 3.25Å; T538-K567 WeakPolarHBondContact OG1-CG 2.93Å; T538-A570 HydrophobicContact CG2-CB 3.35Å
539	E	95.7	Very high	96.1	Very high	109 Å²	109	59.6 Å²	59.6	51%	0.509	28%	0.281	S	S	.	.	H	α-helix	trans	-71.7	-22.5	-178.9	-53.1	66	-138.7	0	0	112.2	R537 R543	R537-E539 VanDerWaalsContact C-N 3.3Å; R537-E539 PolarHBondContact O-N 3.38Å; E539-R543 WeakPolarHBondContact O-CB 3.48Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 2.92Å; E539-R543 VanDerWaalsContact O-N 3.16Å; E539-R543 PolarHBondContact O-NE 3.34Å
540	A	95.8	Very high	96	Very high	9 Å²	9	62.6 Å²	62.6	7%	0.074	30%	0.298	C	S	.	.	H	α-helix	trans	-78	-44	175.4	0	0	0	0	0	110.5	V534 D535 R537 T538 L542 R543 V544	V534-A540 VanDerWaalsContact CG2-C 3.43Å; V534-A540 HydrophobicContact CG2-CB 3.6Å; D535-A540 HydrophobicContact CB-CB 3.85Å; R537-A540 HydrophobicContact CB-CB 4.23Å; R537-A540 WeakPolarHBondContact O-CB 3.41Å; R537-A540 PolarHBondContact O-N 2.84Å; T538-A540 VanDerWaalsContact C-N 3.27Å; T538-A540 PolarHBondContact O-N 2.91Å; A540-L542 PolarHBondContact O-N 3.26Å; A540-R543 PolarHBondContact O-N 2.61Å; A540-V544 WeakPolarHBondContact O-CG2 3.08Å; A540-V544 PolarHBondContact O-N 3.34Å
541	Y	96.5	Very high	95.7	Very high	1 Å²	1	65.1 Å²	65.1	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-56.5	-48.7	170.4	-78.7	-88.2	0	0	0	111.1	I499 T501 V534 R537 T538 R543 V544 L545 L559 L560 K567 I571	I499-Y541 HydrophobicContact CG2-CD1 3.78Å; I499-Y541 HydrophobicContact CG2-CE1 3.76Å; T501-Y541 WeakPolarHBondContact CG2-OH 3.31Å; V534-Y541 HydrophobicContact CG1-CD1 3.95Å; V534-Y541 HydrophobicContact CG1-CD2 4.24Å; V534-Y541 HydrophobicContact CG1-CE1 3.65Å; V534-Y541 HydrophobicContact CG1-CE2 3.96Å; V534-Y541 HydrophobicContact CG1-CG 4.24Å; R537-Y541 WeakPolarHBondContact O-CD2 3.36Å; R537-Y541 PolarHBondContact O-N 3.1Å; T538-Y541 PolarHBondContact O-N 2.93Å; Y541-R543 PolarHBondContact O-N 3.23Å; Y541-V544 PolarHBondContact O-N 2.87Å; Y541-L545 VanDerWaalsContact O-CG 3.24Å; Y541-L545 WeakPolarHBondContact O-CG 3.21Å; Y541-L545 PolarHBondContact O-N 3.26Å; Y541-L559 PolarHBondContact OH-O 3.35Å; Y541-L560 HydrophobicContact CE1-CD2 3.98Å; Y541-K567 HydrophobicContact CD2-CD 4.28Å; Y541-K567 HydrophobicContact CE2-CD 4.01Å; Y541-I571 HydrophobicContact CD1-CD1 3.78Å; Y541-I571 HydrophobicContact CE1-CD1 4.34Å; Y541-I571 HydrophobicContact CG-CD1 4.01Å
542	L	97.1	Very high	95.5	Very high	43 Å²	43	68.4 Å²	68.4	23%	0.225	34%	0.337	C	S	.	.	H	α-helix	trans	-60.6	-43.8	179.3	-70.1	178.3	0	0	0	113	T538 A540 L545 Q546 A570 Y574	T538-L542 PolarHBondContact O-N 3.1Å; T538-L542 VanDerWaalsContact O-N 3.09Å; A540-L542 PolarHBondContact O-N 3.26Å; L542-L545 PolarHBondContact O-N 3.18Å; L542-Q546 VanDerWaalsContact O-CG 3.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.48Å; L542-Q546 PolarHBondContact O-N 3.07Å; L542-A570 HydrophobicContact CD1-CB 4.29Å; L542-A570 HydrophobicContact CD2-CB 4.33Å; L542-A570 HydrophobicContact CG-CB 4.44Å; L542-Y574 HydrophobicContact CD2-CG 4.13Å
543	R	97.3	Very high	95.4	Very high	129 Å²	129	67.6 Å²	67.6	49%	0.487	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-43	176.1	-82.8	-179.4	-81.3	-179.8	-10.9	112.7	E539 A540 Y541 L545 Q546 Q547	E539-R543 WeakPolarHBondContact O-CB 3.48Å; E539-R543 WeakPolarHBondContact O-CG 3.45Å; E539-R543 PolarHBondContact O-N 2.92Å; E539-R543 VanDerWaalsContact O-N 3.16Å; E539-R543 PolarHBondContact O-NE 3.34Å; A540-R543 PolarHBondContact O-N 2.61Å; Y541-R543 PolarHBondContact O-N 3.23Å; R543-L545 VanDerWaalsContact C-N 3.33Å; R543-L545 PolarHBondContact O-N 3.13Å; R543-Q546 PolarHBondContact O-N 3.09Å; R543-Q547 WeakPolarHBondContact O-CB 3.32Å; R543-Q547 VanDerWaalsContact O-CG 3.32Å; R543-Q547 WeakPolarHBondContact O-CG 3.41Å; R543-Q547 PolarHBondContact O-N 2.87Å
544	V	96.9	Very high	95.4	Very high	19 Å²	19	65.9 Å²	65.9	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-43.2	175.1	168.4	0	0	0	0	111	I499 I532 V534 A540 Y541 Q547 K548	I499-V544 HydrophobicContact CD1-CG1 3.76Å; I499-V544 HydrophobicContact CG1-CG1 4.08Å; I499-V544 HydrophobicContact CG2-CG1 4.44Å; I532-V544 HydrophobicContact CB-CG1 4.37Å; I532-V544 HydrophobicContact CD1-CG1 4.16Å; I532-V544 HydrophobicContact CG2-CG1 3.63Å; I532-V544 HydrophobicContact CG2-CG2 4.32Å; V534-V544 HydrophobicContact CB-CG2 4.27Å; V534-V544 HydrophobicContact CG2-CG2 3.75Å; A540-V544 WeakPolarHBondContact O-CG2 3.08Å; A540-V544 PolarHBondContact O-N 3.34Å; Y541-V544 PolarHBondContact O-N 2.87Å; V544-Q547 PolarHBondContact O-N 3.26Å; V544-K548 HydrophobicContact CG1-CG 4.32Å; V544-K548 VanDerWaalsContact O-CB 3.29Å; V544-K548 WeakPolarHBondContact O-CB 3.47Å; V544-K548 WeakPolarHBondContact O-CG 3.2Å; V544-K548 PolarHBondContact O-N 3.1Å
545	L	97.2	Very high	95.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-44.3	177.7	-66.2	171.3	0	0	0	111.8	I499 Y541 L542 R543 Q547 V549 V556 I571 Y574 L575	I499-L545 HydrophobicContact CD1-CD2 3.43Å; I499-L545 VanDerWaalsContact CD1-CD2 3.43Å; I499-L545 HydrophobicContact CD1-CG 4.15Å; Y541-L545 VanDerWaalsContact O-CG 3.24Å; Y541-L545 WeakPolarHBondContact O-CG 3.21Å; Y541-L545 PolarHBondContact O-N 3.26Å; L542-L545 PolarHBondContact O-N 3.18Å; R543-L545 VanDerWaalsContact C-N 3.33Å; R543-L545 PolarHBondContact O-N 3.13Å; L545-Q547 VanDerWaalsContact C-N 3.31Å; L545-Q547 PolarHBondContact O-N 3.41Å; L545-V549 HydrophobicContact CB-CG2 4.39Å; L545-V549 HydrophobicContact CD2-CG2 3.96Å; L545-V549 VanDerWaalsContact O-CB 3.3Å; L545-V549 WeakPolarHBondContact O-CB 3.45Å; L545-V549 VanDerWaalsContact O-CG2 3.31Å; L545-V549 WeakPolarHBondContact O-CG2 3.33Å; L545-V549 PolarHBondContact O-N 2.84Å; L545-V549 VanDerWaalsContact O-N 3.14Å; L545-V556 HydrophobicContact CD2-CG1 3.74Å; L545-I571 HydrophobicContact CD1-CB 4.48Å; L545-I571 HydrophobicContact CD1-CG1 4.21Å; L545-I571 HydrophobicContact CD1-CG2 4.21Å; L545-Y574 HydrophobicContact CB-CD1 3.86Å; L545-Y574 HydrophobicContact CB-CE1 3.71Å; L545-Y574 HydrophobicContact CD1-CD1 4.13Å; L545-L575 HydrophobicContact CD1-CD1 4.08Å; L545-L575 HydrophobicContact CD1-CD2 4.41Å; L545-L575 HydrophobicContact CD1-CG 4.1Å; L545-L575 HydrophobicContact CD2-CD1 3.93Å; L545-L575 HydrophobicContact CD2-CD2 4.17Å; L545-L575 HydrophobicContact CD2-CG 4.4Å
546	Q	96.5	Very high	95.6	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-34.9	176.6	-73.4	166.3	-17.4	0	0	113.4	L542 R543 Y574	L542-Q546 VanDerWaalsContact O-CG 3.31Å; L542-Q546 WeakPolarHBondContact O-CG 3.48Å; L542-Q546 PolarHBondContact O-N 3.07Å; R543-Q546 PolarHBondContact O-N 3.09Å; Q546-Y574 HydrophobicContact CG-CE1 4.22Å; Q546-Y574 HydrophobicContact CG-CE2 3.92Å; Q546-Y574 VanDerWaalsContact CG-OH 3.32Å; Q546-Y574 WeakPolarHBondContact CG-OH 3.31Å
547	Q	95.9	Very high	95.9	Very high	146 Å²	146	59.1 Å²	59.1	68%	0.682	29%	0.288	S	S	*	.	H	α-helix	trans	-91	-23	-175.6	-71	177.7	-10	0	0	114.7	R543 V544 L545	R543-Q547 WeakPolarHBondContact O-CB 3.32Å; R543-Q547 VanDerWaalsContact O-CG 3.32Å; R543-Q547 WeakPolarHBondContact O-CG 3.41Å; R543-Q547 PolarHBondContact O-N 2.87Å; V544-Q547 PolarHBondContact O-N 3.26Å; L545-Q547 VanDerWaalsContact C-N 3.31Å; L545-Q547 PolarHBondContact O-N 3.41Å
548	K	96.4	Very high	96.1	Very high	111 Å²	111	52.5 Å²	52.5	48%	0.483	26%	0.263	S	S	.	.	H	α-helix	trans	-120.4	-16.8	-168	-58.8	-62.9	-176.9	-174.2	0	114.7	L497 I532 V544	L497-K548 HydrophobicContact CD1-CB 4.1Å; I532-K548 HydrophobicContact CD1-CB 3.81Å; I532-K548 HydrophobicContact CD1-CG 3.9Å; V544-K548 HydrophobicContact CG1-CG 4.32Å; V544-K548 VanDerWaalsContact O-CB 3.29Å; V544-K548 WeakPolarHBondContact O-CB 3.47Å; V544-K548 WeakPolarHBondContact O-CG 3.2Å; V544-K548 PolarHBondContact O-N 3.1Å
549	V	96.3	Very high	96.3	Very high	17 Å²	17	51.6 Å²	51.6	10%	0.103	26%	0.258	C	S	.	.			trans	-82.7	119.8	174.4	-177.8	0	0	0	0	109.1	L497 L545 T553 V556 L575 C579 T581	L497-V549 HydrophobicContact CD1-CG2 3.88Å; L545-V549 HydrophobicContact CB-CG2 4.39Å; L545-V549 HydrophobicContact CD2-CG2 3.96Å; L545-V549 VanDerWaalsContact O-CB 3.3Å; L545-V549 WeakPolarHBondContact O-CB 3.45Å; L545-V549 VanDerWaalsContact O-CG2 3.31Å; L545-V549 WeakPolarHBondContact O-CG2 3.33Å; L545-V549 PolarHBondContact O-N 2.84Å; L545-V549 VanDerWaalsContact O-N 3.14Å; V549-T553 HydrophobicContact CG1-CG2 4.23Å; V549-V556 HydrophobicContact CG2-CG2 3.74Å; V549-L575 HydrophobicContact CG2-CD2 4.42Å; V549-C579 VanDerWaalsContact CG1-SG 3.53Å; V549-T581 HydrophobicContact CG1-CG2 4.19Å; V549-T581 WeakPolarHBondContact CG1-OG1 3.39Å
550	T	94.3	Very high	96.3	Very high	70 Å²	70	46.6 Å²	46.6	43%	0.429	24%	0.235	S	C	.	.			trans	-108	168.9	176.2	64.1	0	0	0	0	111.1	D552 T553	T550-D552 PolarHBondContact O-N 3.09Å; T550-T553 PolarHBondContact N-OG1 2.89Å; T550-T553 VanDerWaalsContact O-CB 3.25Å; T550-T553 WeakPolarHBondContact O-CB 3.49Å; T550-T553 PolarHBondContact O-N 2.84Å; T550-T553 PolarHBondContact O-OG1 3.3Å; T550-T553 PolarHBondContact OG1-OG1 3.04Å; T550-T553 VanDerWaalsContact OG1-OG1 3.07Å
551	T	89.5	Confident	96.1	Very high	140 Å²	140	47.2 Å²	47.2	86%	0.859	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-32	172.4	45.7	0	0	0	0	113.2	T553	T551-T553 VanDerWaalsContact C-N 3.3Å
552	D	93.3	Very high	95.9	Very high	117 Å²	117	48.8 Å²	48.8	63%	0.626	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.8	-178.8	-47.2	-40.5	0	0	0	112.9	N495 T550 Q554	N495-D552 PolarHBondContact ND2-O 2.79Å; T550-D552 PolarHBondContact O-N 3.09Å; D552-Q554 PolarHBondContact O-N 2.81Å
553	T	96.7	Very high	95.4	Very high	8 Å²	8	52.2 Å²	52.2	5%	0.049	27%	0.268	C	S	.	.			trans	-75.1	112.5	-180	-59.8	0	0	0	0	109.8	N495 L497 V549 T550 T551 V556 T581	N495-T553 PolarHBondContact ND2-N 3.24Å; L497-T553 HydrophobicContact CD1-CG2 4.31Å; L497-T553 HydrophobicContact CG-CG2 4.01Å; V549-T553 HydrophobicContact CG1-CG2 4.23Å; T550-T553 PolarHBondContact N-OG1 2.89Å; T550-T553 VanDerWaalsContact O-CB 3.25Å; T550-T553 WeakPolarHBondContact O-CB 3.49Å; T550-T553 PolarHBondContact O-N 2.84Å; T550-T553 PolarHBondContact O-OG1 3.3Å; T550-T553 PolarHBondContact OG1-OG1 3.04Å; T550-T553 VanDerWaalsContact OG1-OG1 3.07Å; T551-T553 VanDerWaalsContact C-N 3.3Å; T553-V556 HydrophobicContact CG2-CG2 3.98Å; T553-T581 HydrophobicContact CG2-CG2 4.13Å; T553-T581 WeakPolarHBondContact O-CG2 3.39Å
554	Q	96.7	Very high	94.9	Very high	52 Å²	52	52.6 Å²	52.6	24%	0.243	27%	0.269	C	S	.	.			trans	-76.3	-38.3	-172.8	-62.6	170.7	-55.6	0	0	112.6	P492 N495 D552 M612	P492-Q554 PolarHBondContact O-NE2 2.95Å; P492-Q554 VanDerWaalsContact O-NE2 3.09Å; P492-Q554 PolarHBondContact O-OE1 2.78Å; N495-Q554 PolarHBondContact O-N 3.29Å; D552-Q554 PolarHBondContact O-N 2.81Å; Q554-M612 HydrophobicContact CB-SD 4.05Å
555	I	98.1	Very high	94.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	148.6	179.1	-168.8	160.2	0	0	0	111.2	L493 W496 L497 P582 M608 K611 M612	L493-I555 HydrophobicContact CD2-CG2 3.51Å; W496-I555 WeakPolarHBondContact CA-O 3.32Å; W496-I555 HydrophobicContact CB-CG2 3.67Å; W496-I555 WeakPolarHBondContact CB-O 3.31Å; W496-I555 HydrophobicContact CG-CG2 4.47Å; L497-I555 PolarHBondContact N-O 2.74Å; I555-P582 WeakPolarHBondContact CA-O 3.29Å; I555-P582 HydrophobicContact CD1-CB 4.47Å; I555-P582 HydrophobicContact CG1-CB 4.25Å; I555-P582 WeakPolarHBondContact CG1-O 3.21Å; I555-M608 HydrophobicContact CD1-CB 3.8Å; I555-M608 HydrophobicContact CD1-CE 4.31Å; I555-M608 HydrophobicContact CD1-CG 3.72Å; I555-M608 HydrophobicContact CG2-CE 3.92Å; I555-K611 HydrophobicContact CD1-CB 4.25Å; I555-M612 HydrophobicContact CB-CG 4.29Å; I555-M612 HydrophobicContact CB-SD 4.13Å; I555-M612 HydrophobicContact CD1-CG 4.36Å; I555-M612 HydrophobicContact CG2-SD 4.04Å
556	V	98.4	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.8	172.7	-176.9	0	0	0	0	110.4	L497 I499 L545 V549 T553 L575 T581 P582 S583 Q584	L497-V556 HydrophobicContact CB-CG1 4.31Å; L497-V556 HydrophobicContact CD1-CG2 4.26Å; I499-V556 HydrophobicContact CD1-CG1 3.81Å; I499-V556 HydrophobicContact CG1-CG1 4.4Å; L545-V556 HydrophobicContact CD2-CG1 3.74Å; V549-V556 HydrophobicContact CG2-CG2 3.74Å; T553-V556 HydrophobicContact CG2-CG2 3.98Å; V556-L575 HydrophobicContact CB-CD1 4.16Å; V556-L575 HydrophobicContact CG1-CD1 4.4Å; V556-L575 HydrophobicContact CG2-CD1 4.45Å; V556-T581 HydrophobicContact CG2-CG2 4.03Å; V556-P582 PolarHBondContact N-O 2.76Å; V556-S583 CarbonylContact O-C 3.5Å; V556-S583 VanDerWaalsContact O-CA 3.26Å; V556-S583 WeakPolarHBondContact O-CA 3.3Å; V556-Q584 PolarHBondContact O-N 3.04Å
557	V	98.4	Very high	93.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.6	174	-171.4	0	0	0	0	109.3	W496 L497 L498 I499 L511 Q584 V586 M608	W496-V557 HydrophobicContact CE3-CG2 3.83Å; W496-V557 HydrophobicContact CZ3-CB 4.48Å; W496-V557 HydrophobicContact CZ3-CG2 3.77Å; L497-V557 PolarHBondContact O-N 2.66Å; L498-V557 CarbonylContact C-O 3.58Å; L498-V557 WeakPolarHBondContact CA-O 3.33Å; L498-V557 HydrophobicContact CD1-CB 3.63Å; L498-V557 HydrophobicContact CD1-CG1 3.47Å; L498-V557 VanDerWaalsContact CD1-CG1 3.47Å; I499-V557 PolarHBondContact N-O 3.29Å; L511-V557 HydrophobicContact CD2-CG1 4.36Å; V557-Q584 CarbonylContact C-O 3.44Å; V557-Q584 VanDerWaalsContact CA-O 3.3Å; V557-Q584 WeakPolarHBondContact CA-O 3.3Å; V557-Q584 HydrophobicContact CB-CB 4.48Å; V557-Q584 HydrophobicContact CG1-CB 4.27Å; V557-Q584 HydrophobicContact CG1-CG 4.35Å; V557-Q584 HydrophobicContact CG2-CB 4.14Å; V557-V586 HydrophobicContact CG1-CG2 4.37Å; V557-M608 HydrophobicContact CG2-CE 3.76Å; V557-M608 HydrophobicContact CG2-SD 4.16Å
558	C	97.9	Very high	93.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	112.4	179.3	-58.8	0	0	0	0	110.4	L560 I571 Q584 C585 V586	C558-L560 HydrophobicContact CB-CD2 4.22Å; C558-L560 PolarHBondContact O-N 2.95Å; C558-I571 HydrophobicContact CB-CD1 4.2Å; C558-Q584 PolarHBondContact N-O 3.42Å; C558-C585 WeakPolarHBondContact O-CA 3.37Å; C558-V586 PolarHBondContact O-N 3.26Å
559	L	97	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	96.6	176.3	-171.7	65.2	0	0	0	110.3	I499 N504 A507 A508 Y541 V586 A588 L591	I499-L559 PolarHBondContact O-N 2.78Å; N504-L559 HydrophobicContact CB-CD2 3.84Å; N504-L559 HydrophobicContact CB-CG 4.34Å; A507-L559 HydrophobicContact CB-CD2 4.05Å; A508-L559 HydrophobicContact CB-CD2 3.71Å; Y541-L559 PolarHBondContact OH-O 3.35Å; L559-V586 CarbonylContact C-O 3.54Å; L559-V586 WeakPolarHBondContact CA-O 3.32Å; L559-V586 HydrophobicContact CD1-CB 3.95Å; L559-V586 HydrophobicContact CD1-CG1 3.94Å; L559-A588 HydrophobicContact CD1-CB 4.24Å; L559-A588 HydrophobicContact CG-CB 4.3Å; L559-L591 HydrophobicContact CD1-CD1 3.83Å
560	L	95.7	Very high	93.9	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.3	-176.8	-53.4	-178.2	0	0	0	110.9	Y541 C558 S562 I571 C585 V586 V587 A588	Y541-L560 HydrophobicContact CE1-CD2 3.98Å; C558-L560 HydrophobicContact CB-CD2 4.22Å; C558-L560 PolarHBondContact O-N 2.95Å; L560-S562 VanDerWaalsContact C-N 3.27Å; L560-S562 PolarHBondContact O-N 2.7Å; L560-I571 HydrophobicContact CD2-CD1 3.84Å; L560-C585 HydrophobicContact CD1-CB 4.17Å; L560-V586 PolarHBondContact N-O 3.34Å; L560-V587 CarbonylContact O-C 3.25Å; L560-V587 WeakPolarHBondContact O-CA 3.38Å; L560-A588 PolarHBondContact O-N 2.86Å
561	S	93	Very high	94	Very high	21 Å²	21	42.7 Å²	42.7	15%	0.147	22%	0.22	C	C	.	.	S	Bend	trans	-67.9	-24.6	178.3	-51.2	0	0	0	0	114	T501 R503 N504 D536	T501-S561 PolarHBondContact OG1-OG 2.97Å; R503-S561 PolarHBondContact NE-OG 2.9Å; R503-S561 VanDerWaalsContact NE-OG 3.08Å; R503-S561 PolarHBondContact NH2-OG 2.83Å; N504-S561 WeakPolarHBondContact ND2-CA 3.42Å; N504-S561 PolarHBondContact ND2-OG 3.32Å; N504-S561 VanDerWaalsContact ND2-OG 3.09Å; D536-S561 VanDerWaalsContact CG-OG 3.26Å; D536-S561 PolarHBondContact OD1-OG 2.89Å; D536-S561 VanDerWaalsContact OD1-OG 3.06Å; D536-S561 WeakPolarHBondContact OD2-CB 3.35Å; D536-S561 PolarHBondContact OD2-OG 2.87Å
562	S	90.8	Very high	94.4	Very high	35 Å²	35	36.1 Å²	36.1	25%	0.245	18%	0.18	C	C	.	.	S	Bend	trans	-150.1	173.4	-178.4	66.1	0	0	0	0	111.7	L560 R564	L560-S562 VanDerWaalsContact C-N 3.27Å; L560-S562 PolarHBondContact O-N 2.7Å; S562-R564 PolarHBondContact O-N 3.06Å
563	N	87.4	Confident	94.5	Very high	115 Å²	115	35.3 Å²	35.3	62%	0.615	17%	0.171	S	C	*	.			trans	-80.8	26.7	174	63.9	-44.9	0	0	0	113.3	K565	N563-K565 PolarHBondContact O-N 2.87Å
564	R	86	Confident	94.6	Very high	136 Å²	136	36.8 Å²	36.8	51%	0.513	18%	0.176	S	C	.	.			trans	-62.2	119.8	178.4	-104.3	-176.6	70.6	162	2.3	110.7	S562 D566	S562-R564 PolarHBondContact O-N 3.06Å; R564-D566 WeakPolarHBondContact CB-OD1 3.47Å; R564-D566 IonicContact CZ-OD1 2.67Å; R564-D566 IonicContact CZ-OD2 2.74Å; R564-D566 IonicContact NE-OD1 2.83Å; R564-D566 PolarHBondContact NE-OD1 3.41Å; R564-D566 IonicContact NE-OD2 3.67Å; R564-D566 PolarHBondContact NE-OD2 2.8Å; R564-D566 IonicContact NH2-OD1 3.23Å; R564-D566 IonicContact NH2-OD2 2.82Å; R564-D566 PolarHBondContact NH2-OD2 2.83Å
565	K	86.8	Confident	94.6	Very high	86 Å²	86	34.3 Å²	34.3	37%	0.374	16%	0.164	S	C	.	.	H	α-helix	trans	-68.4	-39.2	-170.7	-161.9	-168.2	179.4	-57.4	0	112.4	N563 K567 Y568 D569 Q844	N563-K565 PolarHBondContact O-N 2.87Å; K565-K567 PolarHBondContact O-N 2.79Å; K565-Y568 WeakPolarHBondContact O-CB 3.37Å; K565-Y568 PolarHBondContact O-N 2.97Å; K565-Y568 VanDerWaalsContact O-N 3.09Å; K565-D569 IonicContact NZ-OD1 2.73Å; K565-D569 PolarHBondContact NZ-OD1 3.24Å; K565-D569 IonicContact NZ-OD2 3.14Å; K565-D569 PolarHBondContact NZ-OD2 2.93Å; K565-D569 WeakPolarHBondContact O-CB 3.28Å; K565-D569 PolarHBondContact O-N 3.03Å; K565-Q844 PolarHBondContact NZ-O 3.21Å
566	D	90.4	Very high	94.6	Very high	58 Å²	58	34.4 Å²	34.4	31%	0.31	17%	0.165	S	C	.	.	H	α-helix	trans	-54.9	-44.7	-179.2	61.6	-55.1	0	0	0	113.3	T538 R564 A570	T538-D566 PolarHBondContact OG1-OD2 3.32Å; R564-D566 WeakPolarHBondContact CB-OD1 3.47Å; R564-D566 IonicContact CZ-OD1 2.67Å; R564-D566 IonicContact CZ-OD2 2.74Å; R564-D566 IonicContact NE-OD1 2.83Å; R564-D566 PolarHBondContact NE-OD1 3.41Å; R564-D566 IonicContact NE-OD2 3.67Å; R564-D566 PolarHBondContact NE-OD2 2.8Å; R564-D566 IonicContact NH2-OD1 3.23Å; R564-D566 IonicContact NH2-OD2 2.82Å; R564-D566 PolarHBondContact NH2-OD2 2.83Å; D566-A570 WeakPolarHBondContact O-CB 3.5Å; D566-A570 PolarHBondContact O-N 3.28Å
567	K	93.3	Very high	94.5	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-42.9	175.4	-75.9	-172.7	-71.6	-161.4	0	112.5	D536 T538 Y541 K565 I571	D536-K567 PolarHBondContact O-NZ 3.25Å; D536-K567 VanDerWaalsContact O-NZ 3.07Å; D536-K567 IonicContact OD1-NZ 3.89Å; D536-K567 PolarHBondContact OD1-NZ 2.88Å; D536-K567 IonicContact OD2-NZ 3.72Å; D536-K567 PolarHBondContact OD2-NZ 2.91Å; T538-K567 VanDerWaalsContact OG1-CG 3.25Å; T538-K567 WeakPolarHBondContact OG1-CG 2.93Å; Y541-K567 HydrophobicContact CD2-CD 4.28Å; Y541-K567 HydrophobicContact CE2-CD 4.01Å; K565-K567 PolarHBondContact O-N 2.79Å; K567-I571 WeakPolarHBondContact O-CB 3.29Å; K567-I571 WeakPolarHBondContact O-CD1 3.21Å; K567-I571 WeakPolarHBondContact O-CG1 3.28Å; K567-I571 PolarHBondContact O-N 3.06Å; K567-I571 VanDerWaalsContact O-N 3.13Å
568	Y	95.8	Very high	94.3	Very high	69 Å²	69	38.9 Å²	38.9	27%	0.271	19%	0.189	S	C	.	.	H	α-helix	trans	-62.9	-46.7	178	177.5	-91.7	0	0	0	111.3	K565 I571 K572 C585 L841	K565-Y568 WeakPolarHBondContact O-CB 3.37Å; K565-Y568 PolarHBondContact O-N 2.97Å; K565-Y568 VanDerWaalsContact O-N 3.09Å; Y568-I571 PolarHBondContact O-N 3.22Å; Y568-K572 HydrophobicContact CD1-CG 4.23Å; Y568-K572 HydrophobicContact CD2-CG 4.34Å; Y568-K572 HydrophobicContact CE1-CG 3.82Å; Y568-K572 HydrophobicContact CE2-CG 3.96Å; Y568-K572 HydrophobicContact CG-CG 4.47Å; Y568-K572 VanDerWaalsContact O-CB 3.28Å; Y568-K572 WeakPolarHBondContact O-CB 3.48Å; Y568-K572 WeakPolarHBondContact O-CG 3.35Å; Y568-K572 PolarHBondContact O-N 3.13Å; Y568-C585 HydrophobicContact CD2-CB 3.88Å; Y568-C585 HydrophobicContact CE2-CB 3.98Å; Y568-L841 HydrophobicContact CE1-CD1 4.06Å; Y568-L841 WeakPolarHBondContact OH-CD1 3.37Å
569	D	95.6	Very high	94.2	Very high	31 Å²	31	40 Å²	40	17%	0.166	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-49.1	179.3	-66.5	-13.1	0	0	0	111.2	K565 K572 K573 S845	K565-D569 IonicContact NZ-OD1 2.73Å; K565-D569 PolarHBondContact NZ-OD1 3.24Å; K565-D569 IonicContact NZ-OD2 3.14Å; K565-D569 PolarHBondContact NZ-OD2 2.93Å; K565-D569 WeakPolarHBondContact O-CB 3.28Å; K565-D569 PolarHBondContact O-N 3.03Å; D569-K572 PolarHBondContact O-N 2.82Å; D569-K573 WeakPolarHBondContact O-CB 3.43Å; D569-K573 PolarHBondContact O-N 2.8Å; D569-S845 WeakPolarHBondContact OD1-CA 3.17Å; D569-S845 VanDerWaalsContact OD1-CB 3.26Å; D569-S845 WeakPolarHBondContact OD1-CB 3.16Å; D569-S845 PolarHBondContact OD1-OG 2.96Å
570	A	96.3	Very high	94.2	Very high	21 Å²	21	41.9 Å²	41.9	17%	0.174	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-48.8	179.6	0	0	0	0	0	112.5	T538 L542 D566 K573 Y574	T538-A570 HydrophobicContact CG2-CB 3.35Å; L542-A570 HydrophobicContact CD1-CB 4.29Å; L542-A570 HydrophobicContact CD2-CB 4.33Å; L542-A570 HydrophobicContact CG-CB 4.44Å; D566-A570 WeakPolarHBondContact O-CB 3.5Å; D566-A570 PolarHBondContact O-N 3.28Å; A570-K573 PolarHBondContact O-N 3.29Å; A570-Y574 WeakPolarHBondContact O-CB 3.39Å; A570-Y574 PolarHBondContact O-N 2.94Å
571	I	97.3	Very high	94.3	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-46.4	177.6	-68.3	166.6	0	0	0	110.4	Y541 L545 C558 L560 K567 Y568 L575	Y541-I571 HydrophobicContact CD1-CD1 3.78Å; Y541-I571 HydrophobicContact CE1-CD1 4.34Å; Y541-I571 HydrophobicContact CG-CD1 4.01Å; L545-I571 HydrophobicContact CD1-CB 4.48Å; L545-I571 HydrophobicContact CD1-CG1 4.21Å; L545-I571 HydrophobicContact CD1-CG2 4.21Å; C558-I571 HydrophobicContact CB-CD1 4.2Å; L560-I571 HydrophobicContact CD2-CD1 3.84Å; K567-I571 WeakPolarHBondContact O-CB 3.29Å; K567-I571 WeakPolarHBondContact O-CD1 3.21Å; K567-I571 WeakPolarHBondContact O-CG1 3.28Å; K567-I571 PolarHBondContact O-N 3.06Å; K567-I571 VanDerWaalsContact O-N 3.13Å; Y568-I571 PolarHBondContact O-N 3.22Å; I571-L575 HydrophobicContact CG2-CD1 3.9Å; I571-L575 WeakPolarHBondContact O-CB 3.31Å; I571-L575 WeakPolarHBondContact O-CG 3.43Å; I571-L575 PolarHBondContact O-N 3.37Å
572	K	97.1	Very high	94.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-38.2	-178.6	-78.2	-68.8	179.7	-173.6	0	113	Y568 D569 C576 S583 L841 I846	Y568-K572 HydrophobicContact CD1-CG 4.23Å; Y568-K572 HydrophobicContact CD2-CG 4.34Å; Y568-K572 HydrophobicContact CE1-CG 3.82Å; Y568-K572 HydrophobicContact CE2-CG 3.96Å; Y568-K572 HydrophobicContact CG-CG 4.47Å; Y568-K572 VanDerWaalsContact O-CB 3.28Å; Y568-K572 WeakPolarHBondContact O-CB 3.48Å; Y568-K572 WeakPolarHBondContact O-CG 3.35Å; Y568-K572 PolarHBondContact O-N 3.13Å; D569-K572 PolarHBondContact O-N 2.82Å; K572-C576 WeakPolarHBondContact O-CB 3.36Å; K572-C576 PolarHBondContact O-N 3.2Å; K572-C576 PolarHBondContact O-SG 2.96Å; K572-S583 PolarHBondContact NZ-O 2.93Å; K572-S583 PolarHBondContact NZ-OG 3.19Å; K572-L841 HydrophobicContact CD-CD1 4.4Å; K572-L841 HydrophobicContact CG-CD1 4.35Å; K572-I846 HydrophobicContact CB-CG1 4.48Å
573	K	96.8	Very high	94.9	Very high	100 Å²	100	39.7 Å²	39.7	44%	0.435	19%	0.193	S	C	.	.	H	α-helix	trans	-59.8	-60.3	174.4	-175.1	178	179	-173.2	0	109.6	D569 A570 L575 C576 T577	D569-K573 WeakPolarHBondContact O-CB 3.43Å; D569-K573 PolarHBondContact O-N 2.8Å; A570-K573 PolarHBondContact O-N 3.29Å; K573-L575 PolarHBondContact O-N 3.47Å; K573-C576 PolarHBondContact O-N 3.06Å; K573-C576 VanDerWaalsContact O-N 3.12Å; K573-T577 PolarHBondContact O-N 3.33Å; K573-T577 PolarHBondContact O-OG1 2.79Å
574	Y	97.7	Very high	95.4	Very high	39 Å²	39	34.7 Å²	34.7	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-54.6	-49	-178.4	-177.4	-105.5	0	0	0	112.5	L542 L545 Q546 A570 C576 T577 D578 C579	L542-Y574 HydrophobicContact CD2-CG 4.13Å; L545-Y574 HydrophobicContact CB-CD1 3.86Å; L545-Y574 HydrophobicContact CB-CE1 3.71Å; L545-Y574 HydrophobicContact CD1-CD1 4.13Å; Q546-Y574 HydrophobicContact CG-CE1 4.22Å; Q546-Y574 HydrophobicContact CG-CE2 3.92Å; Q546-Y574 VanDerWaalsContact CG-OH 3.32Å; Q546-Y574 WeakPolarHBondContact CG-OH 3.31Å; A570-Y574 WeakPolarHBondContact O-CB 3.39Å; A570-Y574 PolarHBondContact O-N 2.94Å; Y574-C576 VanDerWaalsContact C-N 3.3Å; Y574-C576 PolarHBondContact O-N 2.85Å; Y574-T577 PolarHBondContact O-N 2.72Å; Y574-D578 HydrophobicContact CD2-CB 3.9Å; Y574-D578 HydrophobicContact CE2-CB 3.94Å; Y574-D578 PolarHBondContact O-N 3.38Å; Y574-C579 HydrophobicContact CD1-CB 4.13Å; Y574-C579 HydrophobicContact CE1-CB 3.43Å; Y574-C579 VanDerWaalsContact CE1-CB 3.43Å; Y574-C579 HydrophobicContact CE2-CB 4.22Å; Y574-C579 VanDerWaalsContact CZ-CB 3.47Å; Y574-C579 PolarHBondContact O-N 2.68Å; Y574-C579 WeakPolarHBondContact OH-CB 3.29Å
575	L	97.8	Very high	95.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-77.1	-8.6	-177	-65.3	179	0	0	0	115.4	L545 V549 V556 I571 K573 C579 P580 T581	L545-L575 HydrophobicContact CD1-CD1 4.08Å; L545-L575 HydrophobicContact CD1-CD2 4.41Å; L545-L575 HydrophobicContact CD1-CG 4.1Å; L545-L575 HydrophobicContact CD2-CD1 3.93Å; L545-L575 HydrophobicContact CD2-CD2 4.17Å; L545-L575 HydrophobicContact CD2-CG 4.4Å; V549-L575 HydrophobicContact CG2-CD2 4.42Å; V556-L575 HydrophobicContact CB-CD1 4.16Å; V556-L575 HydrophobicContact CG1-CD1 4.4Å; V556-L575 HydrophobicContact CG2-CD1 4.45Å; I571-L575 HydrophobicContact CG2-CD1 3.9Å; I571-L575 WeakPolarHBondContact O-CB 3.31Å; I571-L575 WeakPolarHBondContact O-CG 3.43Å; I571-L575 PolarHBondContact O-N 3.37Å; K573-L575 PolarHBondContact O-N 3.47Å; L575-C579 CarbonylContact C-O 3.54Å; L575-C579 VanDerWaalsContact CA-O 3.24Å; L575-C579 WeakPolarHBondContact CA-O 3.29Å; L575-C579 HydrophobicContact CD2-CB 4.46Å; L575-P580 WeakPolarHBondContact O-CA 3.4Å; L575-T581 PolarHBondContact O-N 2.8Å
576	C	97.3	Very high	96.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-107.5	-15	173.9	-65	0	0	0	0	113.4	K572 K573 Y574 I846 P850 N851 L854	K572-C576 WeakPolarHBondContact O-CB 3.36Å; K572-C576 PolarHBondContact O-N 3.2Å; K572-C576 PolarHBondContact O-SG 2.96Å; K573-C576 PolarHBondContact O-N 3.06Å; K573-C576 VanDerWaalsContact O-N 3.12Å; Y574-C576 VanDerWaalsContact C-N 3.3Å; Y574-C576 PolarHBondContact O-N 2.85Å; C576-I846 HydrophobicContact CB-CD1 3.61Å; C576-I846 HydrophobicContact CB-CG1 4.37Å; C576-P850 HydrophobicContact CB-CB 4.45Å; C576-P850 CarbonylContact O-C 3.48Å; C576-P850 WeakPolarHBondContact O-CA 3.47Å; C576-N851 PolarHBondContact O-N 2.92Å; C576-L854 HydrophobicContact CB-CD1 4.4Å
577	T	95.8	Very high	96.6	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.055	13%	0.128	C	C	.	.	H	α-helix	trans	-115.2	-58.2	179.4	55	0	0	0	0	113.5	K573 Y574 I846 R848 N851	K573-T577 PolarHBondContact O-N 3.33Å; K573-T577 PolarHBondContact O-OG1 2.79Å; Y574-T577 PolarHBondContact O-N 2.72Å; T577-I846 HydrophobicContact CG2-CG2 3.72Å; T577-R848 HydrophobicContact CG2-CB 4.09Å; T577-R848 HydrophobicContact CG2-CG 3.97Å; T577-N851 PolarHBondContact O-ND2 3.37Å
578	D	95.1	Very high	96.7	Very high	86 Å²	86	24.8 Å²	24.8	46%	0.46	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-31.7	-163.4	-52.2	-69.9	0	0	0	112.7	Y574 R848	Y574-D578 HydrophobicContact CD2-CB 3.9Å; Y574-D578 HydrophobicContact CE2-CB 3.94Å; Y574-D578 PolarHBondContact O-N 3.38Å; D578-R848 IonicContact OD1-CZ 2.76Å; D578-R848 IonicContact OD1-NH1 3.03Å; D578-R848 PolarHBondContact OD1-NH1 3.21Å; D578-R848 IonicContact OD1-NH2 3.32Å; D578-R848 IonicContact OD2-NH1 3.07Å
579	C	95.9	Very high	96.5	Very high	22 Å²	22	30 Å²	30	15%	0.149	15%	0.151	C	C	.	.	S	Bend	trans	-130.5	84.7	172.5	-173.3	0	0	0	0	108.9	V549 Y574 L575 T581	V549-C579 VanDerWaalsContact CG1-SG 3.53Å; Y574-C579 HydrophobicContact CD1-CB 4.13Å; Y574-C579 HydrophobicContact CE1-CB 3.43Å; Y574-C579 VanDerWaalsContact CE1-CB 3.43Å; Y574-C579 HydrophobicContact CE2-CB 4.22Å; Y574-C579 VanDerWaalsContact CZ-CB 3.47Å; Y574-C579 PolarHBondContact O-N 2.68Å; Y574-C579 WeakPolarHBondContact OH-CB 3.29Å; L575-C579 CarbonylContact C-O 3.54Å; L575-C579 VanDerWaalsContact CA-O 3.24Å; L575-C579 WeakPolarHBondContact CA-O 3.29Å; L575-C579 HydrophobicContact CD2-CB 4.46Å; C579-T581 PolarHBondContact O-N 3.45Å
580	P	96.2	Very high	96.2	Very high	41 Å²	41	31.3 Å²	31.3	27%	0.266	16%	0.161	S	C	.	.			trans	-75.1	85.1	-162.6	31.3	-38.2	0	0	0	113.3	L575 N851 S853 L854	L575-P580 WeakPolarHBondContact O-CA 3.4Å; P580-N851 HydrophobicContact CB-CB 3.59Å; P580-N851 HydrophobicContact CG-CB 4.21Å; P580-S853 WeakPolarHBondContact CB-OG 3.47Å; P580-L854 HydrophobicContact CB-CD1 4.18Å; P580-L854 HydrophobicContact CB-CG 4.1Å
581	T	97.8	Very high	95.9	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	15%	0.154	C	C	.	.			trans	-128.2	131.7	-176.8	-54.5	0	0	0	0	110.3	V549 T553 V556 L575 C579	V549-T581 HydrophobicContact CG1-CG2 4.19Å; V549-T581 WeakPolarHBondContact CG1-OG1 3.39Å; T553-T581 HydrophobicContact CG2-CG2 4.13Å; T553-T581 WeakPolarHBondContact O-CG2 3.39Å; V556-T581 HydrophobicContact CG2-CG2 4.03Å; L575-T581 PolarHBondContact O-N 2.8Å; C579-T581 PolarHBondContact O-N 3.45Å
582	P	97.8	Very high	95.3	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.013	19%	0.186	C	C	.	.			trans	-53.9	143.7	175.5	-24.8	33.8	0	0	0	112.4	I555 V556 K611 L854	I555-P582 WeakPolarHBondContact CA-O 3.29Å; I555-P582 HydrophobicContact CD1-CB 4.47Å; I555-P582 HydrophobicContact CG1-CB 4.25Å; I555-P582 WeakPolarHBondContact CG1-O 3.21Å; V556-P582 PolarHBondContact N-O 2.76Å; P582-K611 HydrophobicContact CB-CB 4.1Å; P582-K611 WeakPolarHBondContact CB-O 3.47Å; P582-K611 WeakPolarHBondContact CG-O 3.23Å; P582-L854 HydrophobicContact CG-CD2 4.31Å
583	S	98.1	Very high	94.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.5	-173.2	54.9	0	0	0	0	115.6	V556 K572 K611	V556-S583 CarbonylContact O-C 3.5Å; V556-S583 VanDerWaalsContact O-CA 3.26Å; V556-S583 WeakPolarHBondContact O-CA 3.3Å; K572-S583 PolarHBondContact NZ-O 2.93Å; K572-S583 PolarHBondContact NZ-OG 3.19Å; S583-K611 PolarHBondContact O-NZ 3.46Å; S583-K611 VanDerWaalsContact O-NZ 3.13Å
584	Q	98.1	Very high	93.9	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	109.5	-178.5	-174.4	60	47.2	0	0	111	V556 V557 C558 V586 I604 Q607 M608	V556-Q584 PolarHBondContact O-N 3.04Å; V557-Q584 CarbonylContact C-O 3.44Å; V557-Q584 VanDerWaalsContact CA-O 3.3Å; V557-Q584 WeakPolarHBondContact CA-O 3.3Å; V557-Q584 HydrophobicContact CB-CB 4.48Å; V557-Q584 HydrophobicContact CG1-CB 4.27Å; V557-Q584 HydrophobicContact CG1-CG 4.35Å; V557-Q584 HydrophobicContact CG2-CB 4.14Å; C558-Q584 PolarHBondContact N-O 3.42Å; Q584-V586 HydrophobicContact CG-CG2 4.17Å; Q584-I604 HydrophobicContact CG-CG2 4.1Å; Q584-Q607 VanDerWaalsContact CD-OE1 3.22Å; Q584-M608 HydrophobicContact CB-CG 4.26Å; Q584-M608 HydrophobicContact CG-CG 4.18Å
585	C	97.4	Very high	93.3	Very high	23 Å²	23	44.8 Å²	44.8	16%	0.155	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.5	171.2	-55.3	0	0	0	0	109.7	C558 L560 Y568	C558-C585 WeakPolarHBondContact O-CA 3.37Å; L560-C585 HydrophobicContact CD1-CB 4.17Å; Y568-C585 HydrophobicContact CD2-CB 3.88Å; Y568-C585 HydrophobicContact CE2-CB 3.98Å
586	V	96.9	Very high	92.8	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.055	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	134	175.1	-175.5	0	0	0	0	107.6	L511 V557 C558 L559 L560 Q584 L591 I604	L511-V586 HydrophobicContact CD2-CG2 4.27Å; V557-V586 HydrophobicContact CG1-CG2 4.37Å; C558-V586 PolarHBondContact O-N 3.26Å; L559-V586 CarbonylContact C-O 3.54Å; L559-V586 WeakPolarHBondContact CA-O 3.32Å; L559-V586 HydrophobicContact CD1-CB 3.95Å; L559-V586 HydrophobicContact CD1-CG1 3.94Å; L560-V586 PolarHBondContact N-O 3.34Å; Q584-V586 HydrophobicContact CG-CG2 4.17Å; V586-L591 HydrophobicContact CG1-CD1 4.2Å; V586-L591 HydrophobicContact CG1-CD2 4.38Å; V586-L591 HydrophobicContact CG1-CG 4.26Å; V586-I604 HydrophobicContact CG1-CD1 4.19Å; V586-I604 HydrophobicContact CG2-CD1 3.9Å
587	V	95.3	Very high	92.5	Very high	30 Å²	30	46.9 Å²	46.9	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.3	173.3	-171.9	0	0	0	0	108.8	L560 R589 T590	L560-V587 CarbonylContact O-C 3.25Å; L560-V587 WeakPolarHBondContact O-CA 3.38Å; V587-R589 VanDerWaalsContact C-N 3.29Å; V587-R589 HydrophobicContact CG1-CG 3.93Å; V587-R589 PolarHBondContact O-N 2.71Å; V587-T590 WeakPolarHBondContact O-CB 3.22Å; V587-T590 PolarHBondContact O-N 3.06Å; V587-T590 PolarHBondContact O-OG1 2.72Å
588	A	94	Very high	92.3	Very high	11 Å²	11	51.3 Å²	51.3	9%	0.091	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-53.4	-41.1	-172.9	0	0	0	0	0	113.7	N504 L559 L560 T590 L591	N504-A588 HydrophobicContact CB-CB 4.28Å; L559-A588 HydrophobicContact CD1-CB 4.24Å; L559-A588 HydrophobicContact CG-CB 4.3Å; L560-A588 PolarHBondContact O-N 2.86Å; A588-T590 PolarHBondContact O-N 3.31Å; A588-L591 WeakPolarHBondContact O-CB 3.42Å; A588-L591 PolarHBondContact O-N 2.73Å
589	R	91.9	Very high	92	Very high	180 Å²	180	49.7 Å²	49.7	68%	0.679	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-55.7	-27	177	78.4	-174.8	179.5	175.4	-1.7	114.3	V587 L591 G592	V587-R589 VanDerWaalsContact C-N 3.29Å; V587-R589 HydrophobicContact CG1-CG 3.93Å; V587-R589 PolarHBondContact O-N 2.71Å; R589-L591 PolarHBondContact O-N 2.87Å; R589-G592 PolarHBondContact O-N 3.48Å
590	T	89.7	Confident	91.9	Very high	58 Å²	58	50.3 Å²	50.3	36%	0.356	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-65.9	-23.2	178.3	-54.3	0	0	0	0	111.7	V587 A588 I600	V587-T590 WeakPolarHBondContact O-CB 3.22Å; V587-T590 PolarHBondContact O-N 3.06Å; V587-T590 PolarHBondContact O-OG1 2.72Å; A588-T590 PolarHBondContact O-N 3.31Å; T590-I600 HydrophobicContact CG2-CD1 4.12Å; T590-I600 HydrophobicContact CG2-CG2 4.15Å; T590-I600 VanDerWaalsContact O-CD1 3.29Å; T590-I600 WeakPolarHBondContact O-CD1 3.45Å
591	L	91.1	Very high	91.8	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-94.1	-3.3	179.6	-54.2	174.1	0	0	0	113.3	A507 L511 L559 V586 A588 R589 K593 V597 I600	A507-L591 HydrophobicContact CB-CD1 4.24Å; A507-L591 WeakPolarHBondContact O-CD1 3.33Å; L511-L591 HydrophobicContact CB-CD1 3.88Å; L511-L591 HydrophobicContact CD1-CD2 4.21Å; L511-L591 HydrophobicContact CD2-CD1 4.39Å; L559-L591 HydrophobicContact CD1-CD1 3.83Å; V586-L591 HydrophobicContact CG1-CD1 4.2Å; V586-L591 HydrophobicContact CG1-CD2 4.38Å; V586-L591 HydrophobicContact CG1-CG 4.26Å; A588-L591 WeakPolarHBondContact O-CB 3.42Å; A588-L591 PolarHBondContact O-N 2.73Å; R589-L591 PolarHBondContact O-N 2.87Å; L591-K593 PolarHBondContact O-N 3.11Å; L591-V597 HydrophobicContact CD2-CG1 4.23Å; L591-V597 WeakPolarHBondContact O-CG2 3.46Å; L591-I600 HydrophobicContact CD2-CG2 4.15Å
592	G	83.4	Confident	91.7	Very high	66 Å²	66	49.5 Å²	49.5	68%	0.68	27%	0.268	S	S	*	.			trans	-73.5	-3.3	-174	0	0	0	0	0	116.1	R589	R589-G592 PolarHBondContact O-N 3.48Å
593	K	85	Confident	91.5	Very high	67 Å²	67	54.2 Å²	54.2	29%	0.291	29%	0.288	S	S	.	.			trans	-115.8	95.4	-179.8	-72	-159.7	-167.9	175.7	0	112.1	G57 T59 L591 Q595 T596 V597	G57-K593 PolarHBondContact O-NZ 3.08Å; T59-K593 HydrophobicContact CG2-CD 3.66Å; T59-K593 HydrophobicContact CG2-CG 4.33Å; T59-K593 PolarHBondContact OG1-NZ 2.85Å; L591-K593 PolarHBondContact O-N 3.11Å; K593-Q595 VanDerWaalsContact C-N 3.25Å; K593-Q595 PolarHBondContact O-N 3.48Å; K593-T596 WeakPolarHBondContact CB-OG1 3.26Å; K593-T596 PolarHBondContact O-N 3.12Å; K593-T596 PolarHBondContact O-OG1 3.44Å; K593-V597 WeakPolarHBondContact O-CG2 3.24Å; K593-V597 PolarHBondContact O-N 3.06Å
594	Q	80.5	Confident	91.4	Very high	137 Å²	137	54.8 Å²	54.8	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-47.4	-41.3	-172.8	-147	71.9	-24.2	0	0	114.4	T596 V597	Q594-T596 PolarHBondContact O-N 3.35Å; Q594-T596 VanDerWaalsContact O-N 3.12Å; Q594-V597 PolarHBondContact O-N 3.07Å
595	Q	83.9	Confident	91.3	Very high	169 Å²	169	54.3 Å²	54.3	79%	0.79	29%	0.289	S	S	*	.	H	α-helix	trans	-64.1	-18.5	-179.6	-53.9	82.3	-0.3	0	0	113.7	K593	K593-Q595 VanDerWaalsContact C-N 3.25Å; K593-Q595 PolarHBondContact O-N 3.48Å
596	T	88.6	Confident	91.2	Very high	45 Å²	45	54.5 Å²	54.5	28%	0.276	29%	0.288	S	S	.	.	H	α-helix	trans	-112.3	-14.6	-177.1	59.9	0	0	0	0	114.1	K593 Q594 M598 A599 I600	K593-T596 WeakPolarHBondContact CB-OG1 3.26Å; K593-T596 PolarHBondContact O-N 3.12Å; K593-T596 PolarHBondContact O-OG1 3.44Å; Q594-T596 PolarHBondContact O-N 3.35Å; Q594-T596 VanDerWaalsContact O-N 3.12Å; T596-M598 VanDerWaalsContact C-N 3.33Å; T596-M598 PolarHBondContact O-N 3.26Å; T596-A599 PolarHBondContact O-N 2.95Å; T596-I600 WeakPolarHBondContact O-CG1 3.15Å; T596-I600 PolarHBondContact O-N 3.46Å; T596-I600 VanDerWaalsContact O-N 3.09Å
597	V	90.2	Very high	91.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-43	-173.9	-175.5	0	0	0	0	111.9	N514 L591 K593 Q594 A599 I600 A601	N514-V597 HydrophobicContact CB-CG1 4.15Å; N514-V597 WeakPolarHBondContact ND2-CG1 3.47Å; L591-V597 HydrophobicContact CD2-CG1 4.23Å; L591-V597 WeakPolarHBondContact O-CG2 3.46Å; K593-V597 WeakPolarHBondContact O-CG2 3.24Å; K593-V597 PolarHBondContact O-N 3.06Å; Q594-V597 PolarHBondContact O-N 3.07Å; V597-A599 PolarHBondContact O-N 3.47Å; V597-I600 WeakPolarHBondContact O-CB 3.15Å; V597-I600 PolarHBondContact O-N 3.31Å; V597-I600 VanDerWaalsContact O-N 3.15Å; V597-A601 WeakPolarHBondContact O-CB 3.47Å; V597-A601 PolarHBondContact O-N 2.96Å
598	M	90.5	Very high	91.4	Very high	102 Å²	102	54.1 Å²	54.1	50%	0.502	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-46.8	179.6	-174.2	-176.1	-72.4	0	0	112	V518 T596 I600 A601 T602	V518-M598 HydrophobicContact CG1-CG 3.82Å; T596-M598 VanDerWaalsContact C-N 3.33Å; T596-M598 PolarHBondContact O-N 3.26Å; M598-I600 VanDerWaalsContact C-N 3.29Å; M598-I600 PolarHBondContact O-N 3.03Å; M598-A601 PolarHBondContact O-N 3.31Å; M598-T602 PolarHBondContact O-N 3.06Å; M598-T602 PolarHBondContact O-OG1 2.9Å
599	A	90.8	Very high	91.6	Very high	52 Å²	52	53.6 Å²	53.6	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-67.8	-28.9	178.7	0	0	0	0	0	112.9	T596 V597 K603	T596-A599 PolarHBondContact O-N 2.95Å; V597-A599 PolarHBondContact O-N 3.47Å; A599-K603 WeakPolarHBondContact O-CG 3.32Å; A599-K603 PolarHBondContact O-N 3.22Å
600	I	93.2	Very high	91.8	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.185	25%	0.248	C	C	.	.	H	α-helix	trans	-71.9	-46.4	173.4	-67.6	164.5	0	0	0	109.9	T590 L591 T596 V597 M598 T602 K603 I604	T590-I600 HydrophobicContact CG2-CD1 4.12Å; T590-I600 HydrophobicContact CG2-CG2 4.15Å; T590-I600 VanDerWaalsContact O-CD1 3.29Å; T590-I600 WeakPolarHBondContact O-CD1 3.45Å; L591-I600 HydrophobicContact CD2-CG2 4.15Å; T596-I600 WeakPolarHBondContact O-CG1 3.15Å; T596-I600 PolarHBondContact O-N 3.46Å; T596-I600 VanDerWaalsContact O-N 3.09Å; V597-I600 WeakPolarHBondContact O-CB 3.15Å; V597-I600 PolarHBondContact O-N 3.31Å; V597-I600 VanDerWaalsContact O-N 3.15Å; M598-I600 VanDerWaalsContact C-N 3.29Å; M598-I600 PolarHBondContact O-N 3.03Å; I600-T602 VanDerWaalsContact C-N 3.34Å; I600-T602 PolarHBondContact O-N 3.49Å; I600-K603 PolarHBondContact O-N 3Å; I600-K603 VanDerWaalsContact O-N 3.12Å; I600-I604 HydrophobicContact CG2-CD1 3.78Å; I600-I604 HydrophobicContact CG2-CG1 4.46Å; I600-I604 WeakPolarHBondContact O-CG1 3.36Å; I600-I604 PolarHBondContact O-N 2.83Å
601	A	94.7	Very high	92.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-39.6	175.6	0	0	0	0	0	112	L511 N514 L515 V597 M598 K603 I604 A605	L511-A601 HydrophobicContact CD1-CB 4.47Å; N514-A601 HydrophobicContact CB-CB 3.61Å; L515-A601 HydrophobicContact CD2-CB 4.31Å; V597-A601 WeakPolarHBondContact O-CB 3.47Å; V597-A601 PolarHBondContact O-N 2.96Å; M598-A601 PolarHBondContact O-N 3.31Å; A601-K603 PolarHBondContact O-N 3.01Å; A601-I604 PolarHBondContact O-N 3.41Å; A601-A605 WeakPolarHBondContact O-CB 3.28Å; A601-A605 PolarHBondContact O-N 3.37Å
602	T	93.8	Very high	92.5	Very high	33 Å²	33	42.9 Å²	42.9	20%	0.202	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-50.5	170.6	-54.3	0	0	0	0	110.9	M522 M598 I600 I604 A605 L606	M522-T602 HydrophobicContact CE-CG2 3.49Å; M522-T602 VanDerWaalsContact CE-CG2 3.49Å; M598-T602 PolarHBondContact O-N 3.06Å; M598-T602 PolarHBondContact O-OG1 2.9Å; I600-T602 VanDerWaalsContact C-N 3.34Å; I600-T602 PolarHBondContact O-N 3.49Å; T602-I604 PolarHBondContact O-N 2.78Å; T602-A605 PolarHBondContact O-N 3.35Å; T602-L606 HydrophobicContact CG2-CD1 4.29Å; T602-L606 VanDerWaalsContact O-CG 3.28Å; T602-L606 WeakPolarHBondContact O-CG 3.42Å; T602-L606 PolarHBondContact O-N 3.37Å
603	K	94.3	Very high	93.1	Very high	101 Å²	101	40.6 Å²	40.6	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-66.7	-36.6	-180	-69.5	-177.3	178.8	-162.7	0	112.8	A599 I600 A601 Q607	A599-K603 WeakPolarHBondContact O-CG 3.32Å; A599-K603 PolarHBondContact O-N 3.22Å; I600-K603 PolarHBondContact O-N 3Å; I600-K603 VanDerWaalsContact O-N 3.12Å; A601-K603 PolarHBondContact O-N 3.01Å; K603-Q607 WeakPolarHBondContact O-CB 3.33Å; K603-Q607 PolarHBondContact O-N 3.18Å
604	I	96.3	Very high	93.6	Very high	15 Å²	15	37.6 Å²	37.6	8%	0.077	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-47.8	174.2	-70	167.6	0	0	0	110.4	L511 L515 Q584 V586 I600 A601 T602 L606 Q607 M608	L511-I604 HydrophobicContact CD1-CD1 3.84Å; L515-I604 HydrophobicContact CD2-CG2 4.23Å; Q584-I604 HydrophobicContact CG-CG2 4.1Å; V586-I604 HydrophobicContact CG1-CD1 4.19Å; V586-I604 HydrophobicContact CG2-CD1 3.9Å; I600-I604 HydrophobicContact CG2-CD1 3.78Å; I600-I604 HydrophobicContact CG2-CG1 4.46Å; I600-I604 WeakPolarHBondContact O-CG1 3.36Å; I600-I604 PolarHBondContact O-N 2.83Å; A601-I604 PolarHBondContact O-N 3.41Å; T602-I604 PolarHBondContact O-N 2.78Å; I604-L606 PolarHBondContact O-N 3.03Å; I604-Q607 PolarHBondContact O-N 3.5Å; I604-M608 HydrophobicContact CG2-CG 4.22Å; I604-M608 HydrophobicContact CG2-SD 3.67Å; I604-M608 WeakPolarHBondContact O-CB 3.26Å; I604-M608 VanDerWaalsContact O-CG 3.25Å; I604-M608 WeakPolarHBondContact O-CG 3.36Å; I604-M608 PolarHBondContact O-N 3.04Å
605	A	96.2	Very high	94.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-43.7	178	0	0	0	0	0	112.6	L515 V518 T519 M522 A601 T602 Q607 M608 N609	L515-A605 HydrophobicContact CD2-CB 3.87Å; V518-A605 HydrophobicContact CG2-CB 4.26Å; T519-A605 HydrophobicContact CG2-CB 4.01Å; M522-A605 HydrophobicContact CE-CB 4.07Å; M522-A605 HydrophobicContact SD-CB 3.88Å; A601-A605 WeakPolarHBondContact O-CB 3.28Å; A601-A605 PolarHBondContact O-N 3.37Å; T602-A605 PolarHBondContact O-N 3.35Å; A605-Q607 PolarHBondContact O-N 3.13Å; A605-M608 PolarHBondContact O-N 2.64Å; A605-N609 PolarHBondContact O-N 2.71Å
606	L	95.9	Very high	94.9	Very high	27 Å²	27	23.5 Å²	23.5	14%	0.141	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-44.9	174.2	-66.9	172.3	0	0	0	111.6	L487 M522 T602 I604 N609 C610 L616	L487-L606 HydrophobicContact CD1-CD2 4.09Å; L487-L606 HydrophobicContact CD2-CD2 3.52Å; L487-L606 HydrophobicContact CG-CD2 4.45Å; M522-L606 HydrophobicContact CE-CD2 4.01Å; M522-L606 HydrophobicContact CE-CG 3.94Å; M522-L606 HydrophobicContact SD-CD2 3.94Å; M522-L606 HydrophobicContact SD-CG 4.32Å; T602-L606 HydrophobicContact CG2-CD1 4.29Å; T602-L606 VanDerWaalsContact O-CG 3.28Å; T602-L606 WeakPolarHBondContact O-CG 3.42Å; T602-L606 PolarHBondContact O-N 3.37Å; I604-L606 PolarHBondContact O-N 3.03Å; L606-N609 PolarHBondContact O-N 2.83Å; L606-C610 PolarHBondContact O-N 3.34Å; L606-C610 VanDerWaalsContact O-N 3.16Å; L606-C610 PolarHBondContact O-SG 2.75Å; L606-L616 HydrophobicContact CB-CD1 3.92Å; L606-L616 HydrophobicContact CB-CD2 4.42Å; L606-L616 HydrophobicContact CD2-CD1 4.15Å; L606-L616 HydrophobicContact CD2-CD2 3.95Å; L606-L616 HydrophobicContact CG-CD1 4.47Å
607	Q	97.3	Very high	95.3	Very high	31 Å²	31	21.5 Å²	21.5	15%	0.145	12%	0.12	C	C	.	.	H	α-helix	trans	-65.9	-40.5	177.2	-177.3	170.7	98.3	0	0	112	Q584 K603 I604 A605 C610 K611 N821 L861	Q584-Q607 VanDerWaalsContact CD-OE1 3.22Å; K603-Q607 WeakPolarHBondContact O-CB 3.33Å; K603-Q607 PolarHBondContact O-N 3.18Å; I604-Q607 PolarHBondContact O-N 3.5Å; A605-Q607 PolarHBondContact O-N 3.13Å; Q607-C610 PolarHBondContact O-N 2.95Å; Q607-K611 HydrophobicContact CG-CD 4.09Å; Q607-K611 WeakPolarHBondContact O-CB 3.46Å; Q607-K611 VanDerWaalsContact O-CG 3.27Å; Q607-K611 WeakPolarHBondContact O-CG 3.48Å; Q607-K611 PolarHBondContact O-N 3.09Å; Q607-N821 PolarHBondContact NE2-ND2 2.88Å; Q607-N821 PolarHBondContact NE2-OD1 3.44Å; Q607-L861 HydrophobicContact CG-CB 4.18Å; Q607-L861 PolarHBondContact NE2-O 3.4Å
608	M	97.9	Very high	95.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-43.6	174.2	-71.8	172.5	65.6	0	0	111.3	L493 W496 I555 V557 Q584 I604 A605 C610 K611 M612	L493-M608 HydrophobicContact CD1-CE 3.82Å; L493-M608 HydrophobicContact CD2-CE 3.99Å; W496-M608 HydrophobicContact CE3-CE 4.16Å; W496-M608 HydrophobicContact CZ3-CE 4.22Å; I555-M608 HydrophobicContact CD1-CB 3.8Å; I555-M608 HydrophobicContact CD1-CE 4.31Å; I555-M608 HydrophobicContact CD1-CG 3.72Å; I555-M608 HydrophobicContact CG2-CE 3.92Å; V557-M608 HydrophobicContact CG2-CE 3.76Å; V557-M608 HydrophobicContact CG2-SD 4.16Å; Q584-M608 HydrophobicContact CB-CG 4.26Å; Q584-M608 HydrophobicContact CG-CG 4.18Å; I604-M608 HydrophobicContact CG2-CG 4.22Å; I604-M608 HydrophobicContact CG2-SD 3.67Å; I604-M608 WeakPolarHBondContact O-CB 3.26Å; I604-M608 VanDerWaalsContact O-CG 3.25Å; I604-M608 WeakPolarHBondContact O-CG 3.36Å; I604-M608 PolarHBondContact O-N 3.04Å; A605-M608 PolarHBondContact O-N 2.64Å; M608-C610 PolarHBondContact O-N 3.47Å; M608-K611 PolarHBondContact O-N 3.49Å; M608-M612 WeakPolarHBondContact O-CE 3.47Å; M608-M612 WeakPolarHBondContact O-CG 3.4Å; M608-M612 PolarHBondContact O-N 3.14Å
609	N	97.7	Very high	95.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57.2	-49.3	175.3	-164.8	54.6	0	0	0	111.6	L487 S489 V490 K491 M524 A605 L606 K611 M612 G613 G614 L616	L487-N609 HydrophobicContact CD1-CB 4.24Å; L487-N609 WeakPolarHBondContact CD1-ND2 3.31Å; S489-N609 PolarHBondContact O-ND2 2.88Å; V490-N609 WeakPolarHBondContact CA-OD1 3.47Å; K491-N609 PolarHBondContact N-OD1 3.42Å; M524-N609 HydrophobicContact CE-CB 3.64Å; M524-N609 WeakPolarHBondContact CE-OD1 3.37Å; A605-N609 PolarHBondContact O-N 2.71Å; L606-N609 PolarHBondContact O-N 2.83Å; N609-K611 VanDerWaalsContact C-N 3.32Å; N609-K611 PolarHBondContact O-N 3.09Å; N609-M612 PolarHBondContact O-N 3.33Å; N609-G613 PolarHBondContact O-N 3.06Å; N609-G614 WeakPolarHBondContact O-CA 3.09Å; N609-G614 PolarHBondContact O-N 2.85Å; N609-L616 HydrophobicContact CB-CD2 4.19Å
610	C	97.7	Very high	96	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-41.5	178.6	-62.5	0	0	0	0	112.6	L606 Q607 M608 M612 G613 L616 Y820 L858 L861	L606-C610 PolarHBondContact O-N 3.34Å; L606-C610 VanDerWaalsContact O-N 3.16Å; L606-C610 PolarHBondContact O-SG 2.75Å; Q607-C610 PolarHBondContact O-N 2.95Å; M608-C610 PolarHBondContact O-N 3.47Å; C610-M612 VanDerWaalsContact C-N 3.26Å; C610-M612 PolarHBondContact O-N 3.33Å; C610-G613 PolarHBondContact O-N 2.9Å; C610-L616 VanDerWaalsContact SG-CG 3.55Å; C610-Y820 VanDerWaalsContact SG-CB 3.59Å; C610-L858 HydrophobicContact CB-CB 4.19Å; C610-L858 HydrophobicContact CB-CD1 4.21Å; C610-L858 PolarHBondContact O-N 2.89Å; C610-L861 HydrophobicContact CB-CD1 3.94Å
611	K	98.2	Very high	96.1	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-27.3	179.6	-76.9	175.5	174.1	174.4	0	113.4	I555 P582 S583 Q607 M608 N609 G613 R857 L858 L861	I555-K611 HydrophobicContact CD1-CB 4.25Å; P582-K611 HydrophobicContact CB-CB 4.1Å; P582-K611 WeakPolarHBondContact CB-O 3.47Å; P582-K611 WeakPolarHBondContact CG-O 3.23Å; S583-K611 PolarHBondContact O-NZ 3.46Å; S583-K611 VanDerWaalsContact O-NZ 3.13Å; Q607-K611 HydrophobicContact CG-CD 4.09Å; Q607-K611 WeakPolarHBondContact O-CB 3.46Å; Q607-K611 VanDerWaalsContact O-CG 3.27Å; Q607-K611 WeakPolarHBondContact O-CG 3.48Å; Q607-K611 PolarHBondContact O-N 3.09Å; M608-K611 PolarHBondContact O-N 3.49Å; N609-K611 VanDerWaalsContact C-N 3.32Å; N609-K611 PolarHBondContact O-N 3.09Å; K611-G613 VanDerWaalsContact C-N 3.34Å; K611-R857 WeakPolarHBondContact O-CD 3.3Å; K611-L858 WeakPolarHBondContact CG-O 3.38Å; K611-L861 WeakPolarHBondContact CE-OXT 3.35Å; K611-L861 PolarHBondContact NZ-OXT 3.03Å
612	M	97.1	Very high	96	Very high	15 Å²	15	26.6 Å²	26.6	7%	0.074	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1	172.6	-61.9	-176.9	-70.1	0	0	113	K491 L493 M524 Q554 I555 M608 N609 C610	K491-M612 HydrophobicContact CB-CB 3.77Å; K491-M612 HydrophobicContact CB-CE 3.95Å; K491-M612 HydrophobicContact CB-SD 4.34Å; K491-M612 HydrophobicContact CG-CB 3.77Å; L493-M612 HydrophobicContact CD2-CE 3.46Å; L493-M612 VanDerWaalsContact CD2-CE 3.46Å; L493-M612 HydrophobicContact CD2-SD 3.66Å; L493-M612 HydrophobicContact CG-CE 3.96Å; M524-M612 HydrophobicContact CE-CE 4.46Å; Q554-M612 HydrophobicContact CB-SD 4.05Å; I555-M612 HydrophobicContact CB-CG 4.29Å; I555-M612 HydrophobicContact CB-SD 4.13Å; I555-M612 HydrophobicContact CD1-CG 4.36Å; I555-M612 HydrophobicContact CG2-SD 4.04Å; M608-M612 WeakPolarHBondContact O-CE 3.47Å; M608-M612 WeakPolarHBondContact O-CG 3.4Å; M608-M612 PolarHBondContact O-N 3.14Å; N609-M612 PolarHBondContact O-N 3.33Å; C610-M612 VanDerWaalsContact C-N 3.26Å; C610-M612 PolarHBondContact O-N 3.33Å
613	G	95.5	Very high	95.9	Very high	19 Å²	19	26.4 Å²	26.4	20%	0.196	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	24.1	-179.2	0	0	0	0	0	114.6	K491 N609 C610 K611	K491-G613 WeakPolarHBondContact CE-O 3.38Å; N609-G613 PolarHBondContact O-N 3.06Å; C610-G613 PolarHBondContact O-N 2.9Å; K611-G613 VanDerWaalsContact C-N 3.34Å
614	G	96.3	Very high	95.7	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	15%	0.149	C	C	.	.			trans	-82.9	164.7	168.4	0	0	0	0	0	113	S489 N609	S489-G614 CarbonylContact O-C 3.56Å; S489-G614 VanDerWaalsContact O-CA 3.26Å; S489-G614 WeakPolarHBondContact O-CA 3.5Å; N609-G614 WeakPolarHBondContact O-CA 3.09Å; N609-G614 PolarHBondContact O-N 2.85Å
615	E	95.9	Very high	95.6	Very high	10 Å²	10	31 Å²	31	5%	0.047	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-123.5	127.7	-170.4	-58.1	166.1	-123	0	0	109.1	I488 S489 T656 R657	I488-E615 HydrophobicContact CB-CB 4Å; I488-E615 HydrophobicContact CG2-CB 4.02Å; I488-E615 PolarHBondContact N-O 2.68Å; I488-E615 VanDerWaalsContact N-O 3.1Å; S489-E615 WeakPolarHBondContact CB-OE1 3.26Å; S489-E615 PolarHBondContact N-O 2.89Å; S489-E615 PolarHBondContact O-N 3.27Å; E615-T656 VanDerWaalsContact OE2-CB 3.25Å; E615-T656 WeakPolarHBondContact OE2-CB 3.17Å; E615-T656 PolarHBondContact OE2-OG1 3.32Å; E615-R657 HydrophobicContact CG-CG 4.08Å; E615-R657 IonicContact OE1-CZ 3.41Å; E615-R657 VanDerWaalsContact OE1-CZ 3.23Å; E615-R657 IonicContact OE1-NE 4Å; E615-R657 PolarHBondContact OE1-NE 3.4Å; E615-R657 IonicContact OE1-NH2 3.22Å; E615-R657 PolarHBondContact OE1-NH2 3.18Å
616	L	95.8	Very high	95.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.			trans	-90.3	-65.4	-172.5	-52.2	-170.4	0	0	0	112.5	L487 I488 L606 N609 C610 Y820	L487-L616 HydrophobicContact CD1-CD2 3.81Å; L487-L616 HydrophobicContact CD2-CD2 4.13Å; L487-L616 HydrophobicContact CG-CD2 4.45Å; I488-L616 PolarHBondContact N-O 3.41Å; L606-L616 HydrophobicContact CB-CD1 3.92Å; L606-L616 HydrophobicContact CB-CD2 4.42Å; L606-L616 HydrophobicContact CD2-CD1 4.15Å; L606-L616 HydrophobicContact CD2-CD2 3.95Å; L606-L616 HydrophobicContact CG-CD1 4.47Å; N609-L616 HydrophobicContact CB-CD2 4.19Å; C610-L616 VanDerWaalsContact SG-CG 3.55Å; L616-Y820 HydrophobicContact CB-CD1 3.98Å; L616-Y820 HydrophobicContact CB-CE1 4.07Å; L616-Y820 HydrophobicContact CB-CG 4.21Å; L616-Y820 HydrophobicContact CD1-CD1 4.29Å; L616-Y820 HydrophobicContact CD1-CG 3.95Å; L616-Y820 HydrophobicContact CG-CD1 4.18Å; L616-Y820 HydrophobicContact CG-CD2 4.06Å; L616-Y820 HydrophobicContact CG-CE2 4.49Å; L616-Y820 HydrophobicContact CG-CG 3.89Å
617	W	96.1	Very high	95.7	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.011	16%	0.155	C	C	.	.			trans	-141.8	169.9	-177.8	65	83.5	0	0	0	110.9	I462 H463 Q464 W478 I488 H817 Y820 W822 P823	I462-W617 HydrophobicContact CG2-CB 3.87Å; I462-W617 HydrophobicContact CG2-CG 4.01Å; H463-W617 CarbonylContact O-C 3.5Å; H463-W617 WeakPolarHBondContact O-CA 3.47Å; H463-W617 WeakPolarHBondContact O-CB 3.23Å; Q464-W617 HydrophobicContact CB-CB 4.11Å; W478-W617 AromaticContact CZ2-CE2 3.79Å; W478-W617 AromaticContact CZ2-CZ2 3.94Å; W478-W617 HydrophobicContact CZ2-CZ2 3.94Å; W478-W617 AromaticContact CZ2-NE1 3.5Å; W478-W617 AromaticContact NE1-CD2 3.9Å; W478-W617 AromaticContact NE1-CE2 3.71Å; W478-W617 AromaticContact NE1-CZ2 3.93Å; I488-W617 VanDerWaalsContact CD1-CA 3.5Å; W617-H817 PolarHBondContact NE1-O 2.92Å; W617-Y820 HydrophobicContact CD2-CD1 4.03Å; W617-Y820 HydrophobicContact CD2-CE1 4.14Å; W617-Y820 AromaticContact CE2-CD1 3.81Å; W617-Y820 HydrophobicContact CE3-CD1 4.32Å; W617-Y820 HydrophobicContact CG-CE1 4.26Å; W617-Y820 HydrophobicContact CH2-CD1 4.2Å; W617-Y820 AromaticContact CZ2-CD1 3.92Å; W617-Y820 HydrophobicContact CZ2-CD1 3.92Å; W617-Y820 HydrophobicContact CZ3-CD1 4.4Å; W617-Y820 WeakPolarHBondContact O-CE1 3.38Å; W617-Y820 PolarHBondContact O-OH 3.46Å; W617-W822 WeakPolarHBondContact CZ2-O 3.32Å; W617-P823 HydrophobicContact CH2-CB 3.96Å; W617-P823 HydrophobicContact CZ3-CB 4.21Å
618	R	95.5	Very high	95.8	Very high	83 Å²	83	28.3 Å²	28.3	31%	0.313	15%	0.148	S	C	.	.	B	Isolated β-bridge	trans	-144.7	164.9	173.7	71.5	-175.3	-169.1	75.8	10.8	111.2	H463 I488 D620 T656	H463-R618 HydrophobicContact CB-CG 3.98Å; H463-R618 PolarHBondContact N-O 3.33Å; H463-R618 PolarHBondContact O-N 2.75Å; I488-R618 HydrophobicContact CD1-CB 3.81Å; I488-R618 HydrophobicContact CD1-CG 3.68Å; R618-D620 IonicContact CZ-OD1 3.36Å; R618-D620 VanDerWaalsContact CZ-OD1 3.31Å; R618-D620 IonicContact NH1-OD1 3.68Å; R618-D620 PolarHBondContact NH1-OD1 3.23Å; R618-D620 IonicContact NH2-OD1 3.59Å; R618-D620 PolarHBondContact NH2-OD1 3.37Å; R618-D620 VanDerWaalsContact NH2-OD1 3.08Å; R618-T656 HydrophobicContact CB-CG2 3.71Å
619	V	96.1	Very high	95.8	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	15%	0.148	C	C	.	.			trans	-115.1	152.7	164.4	-73.6	0	0	0	0	108.4	E460 I462 I621 K814 H817 I818	E460-V619 HydrophobicContact CB-CG1 3.94Å; I462-V619 HydrophobicContact CD1-CG1 3.83Å; V619-I621 HydrophobicContact CG2-CD1 4.21Å; V619-I621 HydrophobicContact CG2-CG1 4.2Å; V619-I621 PolarHBondContact O-N 2.63Å; V619-K814 HydrophobicContact CG2-CB 4.17Å; V619-H817 HydrophobicContact CG1-CB 3.78Å; V619-H817 HydrophobicContact CG2-CB 4.35Å; V619-I818 HydrophobicContact CG2-CG2 3.71Å
620	D	94.6	Very high	95.9	Very high	75 Å²	75	28.3 Å²	28.3	40%	0.401	15%	0.148	S	C	.	.			trans	-73.5	112.9	177.5	-81.2	-25.3	0	0	0	111.2	H463 R618 K814	H463-D620 IonicContact CE1-OD2 2.67Å; H463-D620 IonicContact NE2-OD2 3.61Å; H463-D620 PolarHBondContact NE2-OD2 2.88Å; R618-D620 IonicContact CZ-OD1 3.36Å; R618-D620 VanDerWaalsContact CZ-OD1 3.31Å; R618-D620 IonicContact NH1-OD1 3.68Å; R618-D620 PolarHBondContact NH1-OD1 3.23Å; R618-D620 IonicContact NH2-OD1 3.59Å; R618-D620 PolarHBondContact NH2-OD1 3.37Å; R618-D620 VanDerWaalsContact NH2-OD1 3.08Å; D620-K814 PolarHBondContact O-NZ 3.25Å
621	I	95.3	Very high	95.9	Very high	25 Å²	25	28.3 Å²	28.3	13%	0.128	15%	0.148	C	C	.	.			trans	-112.9	104.3	176	-62.1	170	0	0	0	107.3	V619 L623 M655 L811 K814 L815	V619-I621 HydrophobicContact CG2-CD1 4.21Å; V619-I621 HydrophobicContact CG2-CG1 4.2Å; V619-I621 PolarHBondContact O-N 2.63Å; I621-L623 HydrophobicContact CG2-CB 3.9Å; I621-L623 PolarHBondContact O-N 3.16Å; I621-M655 HydrophobicContact CB-CE 4.45Å; I621-M655 HydrophobicContact CB-SD 4.33Å; I621-M655 HydrophobicContact CD1-CB 4.48Å; I621-M655 HydrophobicContact CD1-CG 4.43Å; I621-M655 HydrophobicContact CD1-SD 3.46Å; I621-M655 WeakPolarHBondContact CD1-SD 3.47Å; I621-M655 HydrophobicContact CG1-SD 4.46Å; I621-M655 HydrophobicContact CG2-CE 3.72Å; I621-M655 HydrophobicContact CG2-SD 3.97Å; I621-L811 HydrophobicContact CG2-CD1 3.73Å; I621-K814 HydrophobicContact CD1-CB 4.31Å; I621-K814 HydrophobicContact CG1-CB 4.06Å; I621-K814 HydrophobicContact CG1-CD 4.01Å; I621-L815 HydrophobicContact CD1-CD2 4.15Å
622	P	92.5	Very high	95.8	Very high	111 Å²	111	28.6 Å²	28.6	72%	0.721	15%	0.15	S	C	*	.			trans	-79	35.2	-174.3	33.8	-37.3	0	0	0	112.9
623	L	91.7	Very high	95.5	Very high	29 Å²	29	28.5 Å²	28.5	15%	0.152	15%	0.15	C	C	.	.			trans	-110.9	100.6	-177.2	-139.5	77.3	0	0	0	108.8	I621 A626 I698 L803 L811	I621-L623 HydrophobicContact CG2-CB 3.9Å; I621-L623 PolarHBondContact O-N 3.16Å; L623-A626 HydrophobicContact CB-CB 4.31Å; L623-A626 HydrophobicContact CD2-CB 4.1Å; L623-A626 HydrophobicContact CG-CB 4.35Å; L623-I698 HydrophobicContact CD2-CD1 3.79Å; L623-L803 HydrophobicContact CD1-CD2 4.32Å; L623-L803 HydrophobicContact CD2-CD1 4.35Å; L623-L811 HydrophobicContact CD2-CD2 4.11Å
624	K	90.8	Very high	95.1	Very high	150 Å²	150	29.1 Å²	29.1	65%	0.652	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	150.9	-177.1	-60	-59.3	-172.6	176.5	0	112.6	A626 E653	K624-A626 PolarHBondContact O-N 2.76Å; K624-E653 WeakPolarHBondContact CA-OE2 3.3Å
625	L	94	Very high	94.4	Very high	63 Å²	63	30.3 Å²	30.3	33%	0.33	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	36.9	173.7	-50	178.3	0	0	0	112.4	E653 Y692 P694 S695 R696	L625-E653 WeakPolarHBondContact CA-OE1 3.25Å; L625-E653 PolarHBondContact N-OE1 3.1Å; L625-E653 PolarHBondContact N-OE2 3.08Å; L625-E653 VanDerWaalsContact N-OE2 3.09Å; L625-Y692 HydrophobicContact CD2-CD2 3.64Å; L625-Y692 HydrophobicContact CD2-CE2 3.18Å; L625-P694 CarbonylContact O-C 3.58Å; L625-P694 WeakPolarHBondContact O-CA 3.25Å; L625-P694 WeakPolarHBondContact O-CB 3.34Å; L625-S695 WeakPolarHBondContact CB-OG 2.85Å; L625-S695 PolarHBondContact O-N 2.95Å; L625-R696 PolarHBondContact O-N 3.3Å; L625-R696 VanDerWaalsContact O-N 3.07Å
626	A	96.3	Very high	93.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.8	-168.5	0	0	0	0	0	112.5	L623 K624 M655 W686 R696	L623-A626 HydrophobicContact CB-CB 4.31Å; L623-A626 HydrophobicContact CD2-CB 4.1Å; L623-A626 HydrophobicContact CG-CB 4.35Å; K624-A626 PolarHBondContact O-N 2.76Å; A626-M655 HydrophobicContact CB-CE 3.99Å; A626-W686 WeakPolarHBondContact O-CH2 3.5Å; A626-W686 WeakPolarHBondContact O-CZ3 3.33Å; A626-R696 WeakPolarHBondContact CA-O 3.26Å; A626-R696 HydrophobicContact CB-CB 4.48Å
627	M	98.3	Very high	91.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.5	169.3	175.6	178.5	-75.4	0	0	110.1	V629 A649 L679 A682 L683 W686 P694 R696 I697 I698	M627-V629 HydrophobicContact CG-CG2 4.03Å; M627-V629 HydrophobicContact SD-CG2 4.18Å; M627-A649 HydrophobicContact CG-CB 4.32Å; M627-A649 HydrophobicContact SD-CB 4.16Å; M627-L679 HydrophobicContact SD-CD1 4.12Å; M627-A682 HydrophobicContact CE-CB 4.26Å; M627-A682 WeakPolarHBondContact CE-O 3.26Å; M627-A682 HydrophobicContact SD-CB 4.31Å; M627-L683 HydrophobicContact CE-CD2 3.86Å; M627-L683 HydrophobicContact CE-CG 4.38Å; M627-L683 HydrophobicContact SD-CD2 4.03Å; M627-L683 HydrophobicContact SD-CG 4.47Å; M627-W686 HydrophobicContact CB-CE3 3.95Å; M627-W686 HydrophobicContact CB-CZ3 4.01Å; M627-W686 HydrophobicContact CE-CB 3.55Å; M627-W686 HydrophobicContact CE-CD2 4.16Å; M627-W686 HydrophobicContact CE-CE3 3.81Å; M627-W686 HydrophobicContact CE-CG 4.07Å; M627-W686 HydrophobicContact CG-CE3 4.42Å; M627-P694 HydrophobicContact CB-CB 4.1Å; M627-P694 HydrophobicContact CB-CG 4.13Å; M627-P694 HydrophobicContact CE-CG 4.36Å; M627-R696 PolarHBondContact N-O 3.45Å; M627-I697 HydrophobicContact CB-CG1 4.28Å; M627-I697 CarbonylContact O-C 3.56Å; M627-I697 WeakPolarHBondContact O-CA 3.4Å; M627-I698 PolarHBondContact O-N 3.3Å
628	I	98.6	Very high	89	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.8	174.5	-49.3	-58.8	0	0	0	109	A649 S650 M655 I698 Y700 L811 L815 P831	I628-A649 CarbonylContact O-C 3.49Å; I628-A649 VanDerWaalsContact O-CA 3.32Å; I628-A649 WeakPolarHBondContact O-CA 3.46Å; I628-S650 PolarHBondContact N-OG 3.3Å; I628-S650 PolarHBondContact O-N 2.74Å; I628-M655 HydrophobicContact CD1-CE 4.05Å; I628-M655 HydrophobicContact CD1-SD 4.17Å; I628-M655 HydrophobicContact CG1-CE 3.84Å; I628-M655 HydrophobicContact CG1-CG 4.34Å; I628-M655 HydrophobicContact CG1-SD 3.45Å; I628-M655 WeakPolarHBondContact CG1-SD 3.4Å; I628-I698 CarbonylContact C-O 3.44Å; I628-I698 WeakPolarHBondContact CA-O 3.31Å; I628-I698 HydrophobicContact CD1-CB 3.91Å; I628-I698 HydrophobicContact CD1-CD1 4.2Å; I628-I698 HydrophobicContact CD1-CG1 4.38Å; I628-Y700 HydrophobicContact CG2-CD2 3.99Å; I628-Y700 HydrophobicContact CG2-CE2 3.96Å; I628-L811 HydrophobicContact CD1-CD1 4.46Å; I628-L811 HydrophobicContact CD1-CD2 4.22Å; I628-L815 HydrophobicContact CG1-CD2 4.16Å; I628-L815 HydrophobicContact CG2-CD1 3.72Å; I628-L815 HydrophobicContact CG2-CD2 4.14Å; I628-P831 HydrophobicContact CG2-CB 4.44Å; I628-P831 HydrophobicContact CG2-CG 3.79Å
629	V	98.8	Very high	87.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.4	-178.2	-177.8	0	0	0	0	109.9	M627 I631 F647 V648 A649 I697 I698 V699 Y700	M627-V629 HydrophobicContact CG-CG2 4.03Å; M627-V629 HydrophobicContact SD-CG2 4.18Å; V629-I631 HydrophobicContact CG1-CD1 4.28Å; V629-I631 HydrophobicContact CG1-CG1 4.13Å; V629-F647 HydrophobicContact CG1-CD2 4.06Å; V629-F647 HydrophobicContact CG1-CE1 4.1Å; V629-F647 HydrophobicContact CG1-CE2 3.45Å; V629-F647 VanDerWaalsContact CG1-CE2 3.45Å; V629-F647 HydrophobicContact CG1-CZ 3.47Å; V629-F647 VanDerWaalsContact CG1-CZ 3.47Å; V629-F647 HydrophobicContact CG2-CZ 4.28Å; V629-V648 CarbonylContact C-O 3.59Å; V629-V648 VanDerWaalsContact CA-O 3.31Å; V629-V648 WeakPolarHBondContact CA-O 3.34Å; V629-A649 HydrophobicContact CG2-CB 4.03Å; V629-I697 HydrophobicContact CG2-CG2 4.04Å; V629-I698 PolarHBondContact N-O 3.09Å; V629-V699 HydrophobicContact CB-CB 4.35Å; V629-V699 HydrophobicContact CB-CG1 4.26Å; V629-V699 HydrophobicContact CB-CG2 4.09Å; V629-V699 HydrophobicContact CG1-CG1 4.18Å; V629-V699 HydrophobicContact CG2-CG2 4.43Å; V629-Y700 PolarHBondContact O-N 2.98Å
630	G	98.6	Very high	85.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135	173	0	0	0	0	0	110.7	V648 Y700 A835	G630-V648 PolarHBondContact N-O 3.34Å; G630-V648 PolarHBondContact O-N 3Å; G630-Y700 WeakPolarHBondContact CA-O 3.27Å; G630-A835 WeakPolarHBondContact O-CB 3.44Å
631	I	98.3	Very high	84.2	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.5	179.9	-58.5	164	0	0	0	108.8	V629 G646 F647 V672 L675 V699 Y700 D702 F720	V629-I631 HydrophobicContact CG1-CD1 4.28Å; V629-I631 HydrophobicContact CG1-CG1 4.13Å; I631-G646 WeakPolarHBondContact CA-O 3.49Å; I631-F647 HydrophobicContact CD1-CD2 4Å; I631-F647 HydrophobicContact CD1-CE2 4.23Å; I631-F647 HydrophobicContact CG1-CD2 3.81Å; I631-F647 HydrophobicContact CG1-CE2 4.38Å; I631-V672 HydrophobicContact CG2-CG2 4.18Å; I631-L675 HydrophobicContact CD1-CD2 3.7Å; I631-L675 HydrophobicContact CG1-CD2 4.49Å; I631-V699 HydrophobicContact CD1-CG1 3.71Å; I631-V699 HydrophobicContact CG1-CG1 4.48Å; I631-Y700 PolarHBondContact N-O 3.23Å; I631-D702 PolarHBondContact O-N 3.16Å; I631-F720 HydrophobicContact CD1-CE1 4.23Å; I631-F720 HydrophobicContact CD1-CZ 3.61Å
632	D	95.5	Very high	83.6	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.5	172.7	-171	28.3	0	0	0	110.2	A645 G646 D702 A835 H836	D632-A645 WeakPolarHBondContact O-CA 3.22Å; D632-G646 PolarHBondContact N-O 3.32Å; D632-G646 PolarHBondContact O-N 3.31Å; D632-D702 HydrophobicContact CB-CB 4.25Å; D632-A835 HydrophobicContact CB-CB 4.2Å; D632-H836 HydrophobicContact CB-CB 4.31Å; D632-H836 WeakPolarHBondContact OD2-CA 3.43Å; D632-H836 WeakPolarHBondContact OD2-CB 3.32Å; D632-H836 IonicContact OD2-CE1 3Å; D632-H836 IonicContact OD2-CG 2.73Å; D632-H836 VanDerWaalsContact OD2-CG 3.31Å; D632-H836 IonicContact OD2-ND1 3.73Å; D632-H836 PolarHBondContact OD2-ND1 3.46Å
633	C	91	Very high	83.4	Confident	12 Å²	12	38 Å²	38	8%	0.081	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.3	-179.7	-70.5	0	0	0	0	111.8	H635 R701	C633-H635 WeakPolarHBondContact CB-NE2 3.15Å; C633-R701 PolarHBondContact SG-NH1 3.01Å
634	Y	86.9	Confident	83.4	Confident	32 Å²	32	36.8 Å²	36.8	13%	0.125	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.2	175.5	177.6	-93.7	0	0	0	110.7	D636 S643 I644 F840 Q844	Y634-D636 HydrophobicContact CE1-CB 3.93Å; Y634-S643 WeakPolarHBondContact O-CA 3.47Å; Y634-I644 PolarHBondContact N-O 2.91Å; Y634-I644 PolarHBondContact O-N 3.2Å; Y634-F840 HydrophobicContact CD2-CB 4.45Å; Y634-F840 AromaticContact CD2-CD2 3.97Å; Y634-F840 HydrophobicContact CD2-CD2 3.97Å; Y634-F840 AromaticContact CE2-CD2 3.79Å; Y634-F840 HydrophobicContact CE2-CD2 3.79Å; Y634-F840 HydrophobicContact CE2-CE2 4.25Å; Y634-Q844 PolarHBondContact OH-NE2 2.95Å
635	H	81.6	Confident	83.6	Confident	29 Å²	29	29.7 Å²	29.7	13%	0.134	16%	0.159	C	C	.	.			trans	-129.5	122.1	179.5	-49.6	-73.4	0	0	0	111.2	C633 T637 S643 Q669 E670	C633-H635 WeakPolarHBondContact CB-NE2 3.15Å; H635-T637 HydrophobicContact CB-CG2 4.15Å; H635-S643 WeakPolarHBondContact ND1-CB 3.3Å; H635-S643 PolarHBondContact ND1-OG 3.3Å; H635-Q669 PolarHBondContact CE1-O 2.68Å; H635-Q669 VanDerWaalsContact CE1-O 3.23Å; H635-E670 IonicContact CD2-OE1 3.79Å; H635-E670 IonicContact CE1-OE2 2.71Å; H635-E670 IonicContact NE2-OE1 3.73Å; H635-E670 IonicContact NE2-OE2 3.56Å; H635-E670 PolarHBondContact NE2-OE2 3.15Å
636	D	69.6	Low	83.8	Confident	19 Å²	19	26.7 Å²	26.7	10%	0.102	14%	0.143	C	C	.	.			trans	-100.5	79	167.2	-172.6	-12.2	0	0	0	108.8	Y634 T638 A639 R641	Y634-D636 HydrophobicContact CE1-CB 3.93Å; D636-T638 VanDerWaalsContact C-N 3.25Å; D636-T638 PolarHBondContact O-N 2.79Å; D636-A639 WeakPolarHBondContact OD1-CB 3.41Å; D636-A639 PolarHBondContact OD1-N 3.38Å; D636-A639 WeakPolarHBondContact OD2-CB 3.13Å; D636-R641 HydrophobicContact CB-CB 4.25Å; D636-R641 PolarHBondContact O-N 3.07Å; D636-R641 WeakPolarHBondContact OD2-CD 3.11Å; D636-R641 IonicContact OD2-NH1 3.48Å; D636-R641 PolarHBondContact OD2-NH1 2.98Å
637	T	54.3	Low	83.9	Confident	36 Å²	36	26.7 Å²	26.7	22%	0.221	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.7	-175.1	51	0	0	0	0	113.2	S75 H635 R667	S75-T637 WeakPolarHBondContact CB-OG1 3.39Å; S75-T637 PolarHBondContact OG-OG1 3.24Å; H635-T637 HydrophobicContact CB-CG2 4.15Å; T637-R667 PolarHBondContact O-NH2 3.22Å
638	T	50.9	Low	83.9	Confident	80 Å²	80	26.7 Å²	26.7	49%	0.491	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-48.2	-176.9	-47	0	0	0	0	111.5	D636 G640	D636-T638 VanDerWaalsContact C-N 3.25Å; D636-T638 PolarHBondContact O-N 2.79Å; T638-G640 PolarHBondContact O-N 2.94Å
639	A	56.3	Low	83.9	Confident	57 Å²	57	26.7 Å²	26.7	47%	0.471	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	7.4	-179	0	0	0	0	0	114.5	D636 R641	D636-A639 WeakPolarHBondContact OD1-CB 3.41Å; D636-A639 PolarHBondContact OD1-N 3.38Å; D636-A639 WeakPolarHBondContact OD2-CB 3.13Å; A639-R641 VanDerWaalsContact C-N 3.26Å; A639-R641 HydrophobicContact CB-CG 4.13Å; A639-R641 PolarHBondContact O-N 3.47Å
640	G	58.3	Low	83.9	Confident	35 Å²	35	26.7 Å²	26.7	36%	0.361	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	7.1	176.9	0	0	0	0	0	116.1	T638	T638-G640 PolarHBondContact O-N 2.94Å
641	R	71.6	Confident	83.8	Confident	101 Å²	101	27.1 Å²	27.1	38%	0.381	15%	0.145	S	C	.	.	P	Polyproline II helix	trans	-80.2	162.2	-167.9	-65.9	169.9	173.6	169.3	-15	113.3	D636 A639 H847	D636-R641 HydrophobicContact CB-CB 4.25Å; D636-R641 PolarHBondContact O-N 3.07Å; D636-R641 WeakPolarHBondContact OD2-CD 3.11Å; D636-R641 IonicContact OD2-NH1 3.48Å; D636-R641 PolarHBondContact OD2-NH1 2.98Å; A639-R641 VanDerWaalsContact C-N 3.26Å; A639-R641 HydrophobicContact CB-CG 4.13Å; A639-R641 PolarHBondContact O-N 3.47Å; R641-H847 PolarHBondContact NH1-CE1 3.14Å
642	R	81.4	Confident	83.6	Confident	144 Å²	144	28 Å²	28	54%	0.543	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-58.8	149.4	171.8	-74.1	-171.5	-65.2	-175.6	1.4	111.6	Q665	R642-Q665 VanDerWaalsContact CB-O 3.3Å; R642-Q665 WeakPolarHBondContact CB-O 3.39Å
643	S	88.1	Confident	83.4	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	152.6	171.9	-47.5	0	0	0	0	109.8	Y634 H635 Q665 D666 G668 Q669	Y634-S643 WeakPolarHBondContact O-CA 3.47Å; H635-S643 WeakPolarHBondContact ND1-CB 3.3Å; H635-S643 PolarHBondContact ND1-OG 3.3Å; S643-Q665 PolarHBondContact N-O 2.99Å; S643-Q665 PolarHBondContact O-N 2.97Å; S643-D666 VanDerWaalsContact CB-O 3.3Å; S643-D666 WeakPolarHBondContact CB-O 3.3Å; S643-D666 PolarHBondContact OG-O 2.91Å; S643-G668 PolarHBondContact OG-N 3.48Å; S643-Q669 PolarHBondContact OG-N 2.92Å
644	I	92.4	Very high	83.3	Confident	3 Å²	3	30.4 Å²	30.4	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	177.5	-72.9	145.7	0	0	0	109.6	Y634 C662 I663 F664 A839 V842	Y634-I644 PolarHBondContact N-O 2.91Å; Y634-I644 PolarHBondContact O-N 3.2Å; I644-C662 HydrophobicContact CG2-CB 4.19Å; I644-I663 CarbonylContact C-O 3.59Å; I644-I663 VanDerWaalsContact CA-O 3.31Å; I644-I663 WeakPolarHBondContact CA-O 3.38Å; I644-F664 HydrophobicContact CD1-CD1 4.19Å; I644-F664 HydrophobicContact CD1-CE1 3.66Å; I644-F664 HydrophobicContact CD1-CZ 3.95Å; I644-F664 HydrophobicContact CG1-CD1 3.81Å; I644-F664 HydrophobicContact CG1-CD2 4.5Å; I644-F664 HydrophobicContact CG1-CE1 3.75Å; I644-F664 HydrophobicContact CG1-CE2 4.4Å; I644-F664 HydrophobicContact CG1-CG 4.2Å; I644-F664 HydrophobicContact CG1-CZ 4.04Å; I644-A839 HydrophobicContact CG2-CB 4.28Å; I644-V842 HydrophobicContact CD1-CB 4.49Å; I644-V842 HydrophobicContact CD1-CG1 3.96Å; I644-V842 HydrophobicContact CG2-CB 4.38Å; I644-V842 HydrophobicContact CG2-CG1 4.34Å
645	A	95.3	Very high	83.7	Confident	1 Å²	1	29 Å²	29	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	135	164.4	0	0	0	0	0	110	D632 C662 I663 Q665 V672	D632-A645 WeakPolarHBondContact O-CA 3.22Å; A645-C662 CarbonylContact O-C 3.43Å; A645-C662 VanDerWaalsContact O-CA 3.3Å; A645-C662 WeakPolarHBondContact O-CA 3.35Å; A645-I663 HydrophobicContact CB-CB 4.31Å; A645-I663 PolarHBondContact N-O 3.43Å; A645-I663 PolarHBondContact O-N 2.89Å; A645-Q665 VanDerWaalsContact CB-NE2 3.33Å; A645-V672 HydrophobicContact CB-CB 4.34Å; A645-V672 HydrophobicContact CB-CG1 3.71Å; A645-V672 HydrophobicContact CB-CG2 3.61Å
646	G	97.3	Very high	84.3	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.3	163.6	0	0	0	0	0	109.1	I631 D632	I631-G646 WeakPolarHBondContact CA-O 3.49Å; D632-G646 PolarHBondContact N-O 3.32Å; D632-G646 PolarHBondContact O-N 3.31Å
647	F	98.5	Very high	85.6	Confident	1 Å²	1	31.4 Å²	31.4	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	126.4	172.1	-179.9	-77.4	0	0	0	108.2	V629 I631 A649 F659 S660 R661 L675 C678 L679 A682 F720	V629-F647 HydrophobicContact CG1-CD2 4.06Å; V629-F647 HydrophobicContact CG1-CE1 4.1Å; V629-F647 HydrophobicContact CG1-CE2 3.45Å; V629-F647 VanDerWaalsContact CG1-CE2 3.45Å; V629-F647 HydrophobicContact CG1-CZ 3.47Å; V629-F647 VanDerWaalsContact CG1-CZ 3.47Å; V629-F647 HydrophobicContact CG2-CZ 4.28Å; I631-F647 HydrophobicContact CD1-CD2 4Å; I631-F647 HydrophobicContact CD1-CE2 4.23Å; I631-F647 HydrophobicContact CG1-CD2 3.81Å; I631-F647 HydrophobicContact CG1-CE2 4.38Å; F647-A649 HydrophobicContact CE1-CB 3.9Å; F647-F659 HydrophobicContact CD1-CE1 4.48Å; F647-F659 HydrophobicContact CE1-CD1 4.49Å; F647-S660 CarbonylContact O-C 3.45Å; F647-S660 WeakPolarHBondContact O-CA 3.46Å; F647-R661 PolarHBondContact N-O 3.39Å; F647-R661 PolarHBondContact O-N 2.94Å; F647-L675 HydrophobicContact CD2-CD2 4.18Å; F647-C678 HydrophobicContact CB-CB 4.1Å; F647-C678 HydrophobicContact CD1-CB 3.79Å; F647-C678 HydrophobicContact CD2-CB 3.65Å; F647-C678 HydrophobicContact CE1-CB 4.08Å; F647-C678 HydrophobicContact CE2-CB 3.93Å; F647-C678 HydrophobicContact CG-CB 3.58Å; F647-C678 HydrophobicContact CZ-CB 4.14Å; F647-L679 HydrophobicContact CZ-CB 4.24Å; F647-L679 HydrophobicContact CZ-CD1 4.41Å; F647-A682 HydrophobicContact CE1-CB 3.91Å; F647-A682 HydrophobicContact CZ-CB 4.45Å; F647-F720 HydrophobicContact CE2-CE1 4.36Å
648	V	98.7	Very high	87.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.6	179	174.4	0	0	0	0	109.3	V629 G630 W658 F659 A835 L838	V629-V648 CarbonylContact C-O 3.59Å; V629-V648 VanDerWaalsContact CA-O 3.31Å; V629-V648 WeakPolarHBondContact CA-O 3.34Å; G630-V648 PolarHBondContact N-O 3.34Å; G630-V648 PolarHBondContact O-N 3Å; V648-W658 HydrophobicContact CG1-CB 4.1Å; V648-W658 HydrophobicContact CG1-CD2 4.21Å; V648-W658 HydrophobicContact CG1-CE3 3.67Å; V648-W658 HydrophobicContact CG1-CG 4.43Å; V648-F659 CarbonylContact C-O 3.39Å; V648-F659 VanDerWaalsContact CA-O 3.27Å; V648-F659 WeakPolarHBondContact CA-O 3.25Å; V648-A835 HydrophobicContact CB-CB 4.43Å; V648-A835 HydrophobicContact CG2-CB 4.16Å; V648-L838 HydrophobicContact CG2-CD2 3.92Å
649	A	98.8	Very high	89.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.9	-178.9	0	0	0	0	0	111.5	M627 I628 V629 F647 W658 F659 A682	M627-A649 HydrophobicContact CG-CB 4.32Å; M627-A649 HydrophobicContact SD-CB 4.16Å; I628-A649 CarbonylContact O-C 3.49Å; I628-A649 VanDerWaalsContact O-CA 3.32Å; I628-A649 WeakPolarHBondContact O-CA 3.46Å; V629-A649 HydrophobicContact CG2-CB 4.03Å; F647-A649 HydrophobicContact CE1-CB 3.9Å; A649-W658 CarbonylContact O-C 3.51Å; A649-W658 WeakPolarHBondContact O-CA 3.47Å; A649-F659 PolarHBondContact N-O 3.19Å; A649-F659 PolarHBondContact O-N 2.83Å; A649-A682 HydrophobicContact CB-CB 3.74Å
650	S	98.4	Very high	91.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141	171.1	66.1	0	0	0	0	110.2	I628 R657	I628-S650 PolarHBondContact N-OG 3.3Å; I628-S650 PolarHBondContact O-N 2.74Å; S650-R657 VanDerWaalsContact CA-O 3.31Å; S650-R657 WeakPolarHBondContact CA-O 3.33Å
651	I	97.1	Very high	93.8	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.041	11%	0.107	C	C	.	.			trans	-119	9.8	-177.4	62.3	174	0	0	0	114.1	R657 F659 A685 C689 N690	I651-R657 HydrophobicContact CD1-CB 4.08Å; I651-R657 HydrophobicContact CG1-CB 3.54Å; I651-R657 PolarHBondContact N-O 2.91Å; I651-F659 HydrophobicContact CG2-CB 3.54Å; I651-A685 HydrophobicContact CG2-CB 4.04Å; I651-C689 WeakPolarHBondContact O-CB 3.42Å; I651-N690 PolarHBondContact O-ND2 2.95Å
652	N	94.7	Very high	94.9	Very high	20 Å²	20	20.2 Å²	20.2	11%	0.107	9%	0.09	C	C	.	.	S	Bend	trans	-146.1	157.5	175.2	70.9	-31.7	0	0	0	112	G654 M655 T656 R657	N652-G654 PolarHBondContact O-N 2.89Å; N652-G654 VanDerWaalsContact O-N 3.14Å; N652-M655 PolarHBondContact O-N 3.4Å; N652-M655 PolarHBondContact OD1-N 3.21Å; N652-T656 PolarHBondContact ND2-OG1 2.87Å; N652-T656 PolarHBondContact OD1-N 2.98Å; N652-T656 PolarHBondContact OD1-OG1 2.87Å; N652-R657 PolarHBondContact OD1-N 2.89Å
653	E	90.6	Very high	95.5	Very high	46 Å²	46	14.6 Å²	14.6	22%	0.215	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.7	177	-68.3	-69.4	117.9	0	0	113.6	K624 L625 M655 W686 Y692	K624-E653 WeakPolarHBondContact CA-OE2 3.3Å; L625-E653 WeakPolarHBondContact CA-OE1 3.25Å; L625-E653 PolarHBondContact N-OE1 3.1Å; L625-E653 PolarHBondContact N-OE2 3.08Å; L625-E653 VanDerWaalsContact N-OE2 3.09Å; E653-M655 PolarHBondContact O-N 3.48Å; E653-W686 WeakPolarHBondContact OE1-CZ2 3.36Å; E653-Y692 VanDerWaalsContact CG-OH 3.32Å; E653-Y692 WeakPolarHBondContact CG-OH 3.43Å
654	G	89.3	Confident	95.7	Very high	26 Å²	26	16.9 Å²	16.9	27%	0.268	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12	178.7	0	0	0	0	0	114.6	N652 T656	N652-G654 PolarHBondContact O-N 2.89Å; N652-G654 VanDerWaalsContact O-N 3.14Å; G654-T656 WeakPolarHBondContact O-CG2 3.43Å; G654-T656 PolarHBondContact O-N 3.42Å
655	M	94.7	Very high	95.5	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.082	C	C	.	.	S	Bend	trans	55.3	31.1	-174.3	-52.6	-179.8	-173.5	0	0	113.1	I621 A626 I628 N652 E653 W658 L815 I818	I621-M655 HydrophobicContact CB-CE 4.45Å; I621-M655 HydrophobicContact CB-SD 4.33Å; I621-M655 HydrophobicContact CD1-CB 4.48Å; I621-M655 HydrophobicContact CD1-CG 4.43Å; I621-M655 HydrophobicContact CD1-SD 3.46Å; I621-M655 WeakPolarHBondContact CD1-SD 3.47Å; I621-M655 HydrophobicContact CG1-SD 4.46Å; I621-M655 HydrophobicContact CG2-CE 3.72Å; I621-M655 HydrophobicContact CG2-SD 3.97Å; A626-M655 HydrophobicContact CB-CE 3.99Å; I628-M655 HydrophobicContact CD1-CE 4.05Å; I628-M655 HydrophobicContact CD1-SD 4.17Å; I628-M655 HydrophobicContact CG1-CE 3.84Å; I628-M655 HydrophobicContact CG1-CG 4.34Å; I628-M655 HydrophobicContact CG1-SD 3.45Å; I628-M655 WeakPolarHBondContact CG1-SD 3.4Å; N652-M655 PolarHBondContact O-N 3.4Å; N652-M655 PolarHBondContact OD1-N 3.21Å; E653-M655 PolarHBondContact O-N 3.48Å; M655-W658 WeakPolarHBondContact O-CZ2 3.29Å; M655-L815 HydrophobicContact SD-CD2 4.08Å; M655-I818 HydrophobicContact CB-CD1 4.06Å
656	T	94.7	Very high	95	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.018	11%	0.112	C	C	.	.			trans	-104.4	-24.5	-176.2	48.9	0	0	0	0	112.9	E615 R618 N652 G654 W658 Y820	E615-T656 VanDerWaalsContact OE2-CB 3.25Å; E615-T656 WeakPolarHBondContact OE2-CB 3.17Å; E615-T656 PolarHBondContact OE2-OG1 3.32Å; R618-T656 HydrophobicContact CB-CG2 3.71Å; N652-T656 PolarHBondContact ND2-OG1 2.87Å; N652-T656 PolarHBondContact OD1-N 2.98Å; N652-T656 PolarHBondContact OD1-OG1 2.87Å; G654-T656 WeakPolarHBondContact O-CG2 3.43Å; G654-T656 PolarHBondContact O-N 3.42Å; T656-W658 PolarHBondContact O-NE1 2.79Å; T656-Y820 VanDerWaalsContact CB-OH 3.26Å; T656-Y820 WeakPolarHBondContact CB-OH 3.24Å; T656-Y820 WeakPolarHBondContact CG2-OH 3.01Å
657	R	96.4	Very high	94.1	Very high	96 Å²	96	30 Å²	30	36%	0.362	14%	0.139	S	C	.	.			trans	-103.4	144	176.1	-62.7	-176.7	-176.3	170.4	5.5	110.9	E615 S650 I651 N652	E615-R657 HydrophobicContact CG-CG 4.08Å; E615-R657 IonicContact OE1-CZ 3.41Å; E615-R657 VanDerWaalsContact OE1-CZ 3.23Å; E615-R657 IonicContact OE1-NE 4Å; E615-R657 PolarHBondContact OE1-NE 3.4Å; E615-R657 IonicContact OE1-NH2 3.22Å; E615-R657 PolarHBondContact OE1-NH2 3.18Å; S650-R657 VanDerWaalsContact CA-O 3.31Å; S650-R657 WeakPolarHBondContact CA-O 3.33Å; I651-R657 HydrophobicContact CD1-CB 4.08Å; I651-R657 HydrophobicContact CG1-CB 3.54Å; I651-R657 PolarHBondContact N-O 2.91Å; N652-R657 PolarHBondContact OD1-N 2.89Å
658	W	97.9	Very high	92.8	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.011	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128.9	-170.8	-57.4	91.3	0	0	0	111.8	V648 A649 M655 T656 I818 P831 Y834 N856 L858	V648-W658 HydrophobicContact CG1-CB 4.1Å; V648-W658 HydrophobicContact CG1-CD2 4.21Å; V648-W658 HydrophobicContact CG1-CE3 3.67Å; V648-W658 HydrophobicContact CG1-CG 4.43Å; A649-W658 CarbonylContact O-C 3.51Å; A649-W658 WeakPolarHBondContact O-CA 3.47Å; M655-W658 WeakPolarHBondContact O-CZ2 3.29Å; T656-W658 PolarHBondContact O-NE1 2.79Å; W658-I818 HydrophobicContact CH2-CD1 4.17Å; W658-I818 HydrophobicContact CZ2-CD1 3.85Å; W658-I818 HydrophobicContact CZ2-CG1 4.16Å; W658-P831 HydrophobicContact CH2-CB 4.13Å; W658-P831 HydrophobicContact CH2-CG 4.28Å; W658-P831 HydrophobicContact CZ3-CB 3.78Å; W658-P831 HydrophobicContact CZ3-CG 4.38Å; W658-Y834 HydrophobicContact CD2-CD2 4.04Å; W658-Y834 HydrophobicContact CD2-CE2 4.05Å; W658-Y834 AromaticContact CE2-CD2 3.94Å; W658-Y834 AromaticContact CE2-CE2 3.52Å; W658-Y834 HydrophobicContact CE3-CD2 4.47Å; W658-Y834 HydrophobicContact CG-CD2 4.41Å; W658-Y834 HydrophobicContact CG-CE2 4.34Å; W658-Y834 HydrophobicContact CZ2-CD2 4.28Å; W658-Y834 AromaticContact CZ2-CE2 3.86Å; W658-Y834 HydrophobicContact CZ2-CE2 3.86Å; W658-Y834 AromaticContact NE1-CE2 3.51Å; W658-N856 CarbonylContact O-C 3.49Å; W658-L858 HydrophobicContact CB-CD2 3.84Å; W658-L858 HydrophobicContact CG-CD2 3.98Å
659	F	98.6	Very high	92	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.057	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	147	161.3	171.3	-91.7	0	0	0	109.5	F647 V648 A649 I651 R661 A681 A682 A685 S855 N856	F647-F659 HydrophobicContact CD1-CE1 4.48Å; F647-F659 HydrophobicContact CE1-CD1 4.49Å; V648-F659 CarbonylContact C-O 3.39Å; V648-F659 VanDerWaalsContact CA-O 3.27Å; V648-F659 WeakPolarHBondContact CA-O 3.25Å; A649-F659 PolarHBondContact N-O 3.19Å; A649-F659 PolarHBondContact O-N 2.83Å; I651-F659 HydrophobicContact CG2-CB 3.54Å; F659-R661 HydrophobicContact CE1-CB 4.07Å; F659-R661 HydrophobicContact CZ-CB 4.18Å; F659-A681 HydrophobicContact CE1-CB 4.13Å; F659-A681 HydrophobicContact CE2-CB 4.22Å; F659-A681 HydrophobicContact CZ-CB 3.53Å; F659-A682 HydrophobicContact CD1-CB 3.64Å; F659-A682 HydrophobicContact CE1-CB 4.05Å; F659-A682 HydrophobicContact CG-CB 4.29Å; F659-A685 HydrophobicContact CB-CB 4.25Å; F659-A685 HydrophobicContact CD2-CB 3.81Å; F659-A685 HydrophobicContact CG-CB 4.23Å; F659-S855 CarbonylContact C-O 3.55Å; F659-S855 WeakPolarHBondContact CA-O 3.29Å; F659-N856 WeakPolarHBondContact CD2-OD1 3.4Å
660	S	98.3	Very high	91.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	140.9	-176.4	59.5	0	0	0	0	112.7	F647 S855	F647-S660 CarbonylContact O-C 3.45Å; F647-S660 WeakPolarHBondContact O-CA 3.46Å; S660-S855 PolarHBondContact N-O 3.4Å; S660-S855 WeakPolarHBondContact O-CB 3.44Å; S660-S855 PolarHBondContact O-OG 2.86Å; S660-S855 PolarHBondContact OG-O 3.29Å
661	R	97.3	Very high	90.6	Very high	55 Å²	55	37 Å²	37	21%	0.208	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154	173.6	-170	163.9	-172.5	-176	0.5	111.6	F647 F659 L838 E849	F647-R661 PolarHBondContact N-O 3.39Å; F647-R661 PolarHBondContact O-N 2.94Å; F659-R661 HydrophobicContact CE1-CB 4.07Å; F659-R661 HydrophobicContact CZ-CB 4.18Å; R661-L838 WeakPolarHBondContact O-CD2 3.36Å; R661-E849 IonicContact CZ-OE1 2.86Å; R661-E849 VanDerWaalsContact CZ-OE1 3.27Å; R661-E849 IonicContact NE-OE1 3.23Å; R661-E849 PolarHBondContact NE-OE1 2.84Å; R661-E849 IonicContact NH2-OE1 3.33Å; R661-E849 PolarHBondContact NH2-OE1 2.88Å; R661-E849 IonicContact NH2-OE2 2.79Å
662	C	94.9	Very high	90.3	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	151.3	171.8	-77.7	0	0	0	0	112.1	I644 A645 L838	I644-C662 HydrophobicContact CG2-CB 4.19Å; A645-C662 CarbonylContact O-C 3.43Å; A645-C662 VanDerWaalsContact O-CA 3.3Å; A645-C662 WeakPolarHBondContact O-CA 3.35Å; C662-L838 VanDerWaalsContact SG-CG 3.51Å
663	I	94.3	Very high	90.1	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.128	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.5	170.7	-65.3	165.1	0	0	0	107.3	I644 A645 Q665 V672 D673	I644-I663 CarbonylContact C-O 3.59Å; I644-I663 VanDerWaalsContact CA-O 3.31Å; I644-I663 WeakPolarHBondContact CA-O 3.38Å; A645-I663 HydrophobicContact CB-CB 4.31Å; A645-I663 PolarHBondContact N-O 3.43Å; A645-I663 PolarHBondContact O-N 2.89Å; I663-Q665 HydrophobicContact CG2-CG 3.98Å; I663-V672 HydrophobicContact CB-CG1 4.38Å; I663-V672 HydrophobicContact CD1-CG1 3.44Å; I663-V672 VanDerWaalsContact CD1-CG1 3.44Å; I663-V672 HydrophobicContact CG2-CG1 4.27Å; I663-D673 WeakPolarHBondContact CG2-O 3.34Å
664	F	91.9	Very high	90.1	Very high	50 Å²	50	38.7 Å²	38.7	22%	0.219	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.5	171.2	-77.2	-103.7	0	0	0	109.6	I644 V842 E849	I644-F664 HydrophobicContact CD1-CD1 4.19Å; I644-F664 HydrophobicContact CD1-CE1 3.66Å; I644-F664 HydrophobicContact CD1-CZ 3.95Å; I644-F664 HydrophobicContact CG1-CD1 3.81Å; I644-F664 HydrophobicContact CG1-CD2 4.5Å; I644-F664 HydrophobicContact CG1-CE1 3.75Å; I644-F664 HydrophobicContact CG1-CE2 4.4Å; I644-F664 HydrophobicContact CG1-CG 4.2Å; I644-F664 HydrophobicContact CG1-CZ 4.04Å; F664-V842 HydrophobicContact CE2-CG1 3.94Å; F664-V842 HydrophobicContact CZ-CG1 3.55Å; F664-E849 HydrophobicContact CE2-CB 4.17Å; F664-E849 VanDerWaalsContact CE2-N 3.35Å
665	Q	87.9	Confident	90.5	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.037	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	167.3	-173.5	-67.2	178.7	78.3	0	0	110.6	R642 S643 A645 I663 Q669 L671	R642-Q665 VanDerWaalsContact CB-O 3.3Å; R642-Q665 WeakPolarHBondContact CB-O 3.39Å; S643-Q665 PolarHBondContact N-O 2.99Å; S643-Q665 PolarHBondContact O-N 2.97Å; A645-Q665 VanDerWaalsContact CB-NE2 3.33Å; I663-Q665 HydrophobicContact CG2-CG 3.98Å; Q665-Q669 HydrophobicContact CB-CB 4.2Å; Q665-Q669 HydrophobicContact CB-CG 4.34Å; Q665-Q669 PolarHBondContact OE1-O 2.94Å; Q665-L671 PolarHBondContact OE1-O 3.39Å
666	D	84.6	Confident	90.5	Very high	119 Å²	119	41.3 Å²	41.3	64%	0.636	20%	0.202	S	C	*	.			trans	-65.9	162.2	177.3	-77	-30.2	0	0	0	113	S643 G668 Q669	S643-D666 VanDerWaalsContact CB-O 3.3Å; S643-D666 WeakPolarHBondContact CB-O 3.3Å; S643-D666 PolarHBondContact OG-O 2.91Å; D666-G668 PolarHBondContact O-N 3.35Å; D666-G668 VanDerWaalsContact O-N 3.1Å; D666-Q669 HydrophobicContact CB-CB 4.27Å; D666-Q669 WeakPolarHBondContact O-CB 3.46Å; D666-Q669 PolarHBondContact O-N 3.42Å
667	R	79.3	Confident	90.6	Very high	153 Å²	153	44.6 Å²	44.6	58%	0.577	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	114	-175.2	-178.2	-177.8	177.8	-172.5	3	111	T637 Q669	T637-R667 PolarHBondContact O-NH2 3.22Å; R667-Q669 VanDerWaalsContact C-N 3.31Å
668	G	70.7	Confident	90.6	Very high	37 Å²	37	40.1 Å²	40.1	38%	0.381	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	11.9	-178.4	0	0	0	0	0	115.2	S643 D666 E670	S643-G668 PolarHBondContact OG-N 3.48Å; D666-G668 PolarHBondContact O-N 3.35Å; D666-G668 VanDerWaalsContact O-N 3.1Å; G668-E670 PolarHBondContact O-N 3.02Å
669	Q	81.6	Confident	90.6	Very high	56 Å²	56	40 Å²	40	26%	0.262	21%	0.205	S	C	.	.			trans	-72.1	112.5	169.2	-179.8	-176.2	-10.7	0	0	109.8	H635 S643 Q665 D666 R667 L671	H635-Q669 PolarHBondContact CE1-O 2.68Å; H635-Q669 VanDerWaalsContact CE1-O 3.23Å; S643-Q669 PolarHBondContact OG-N 2.92Å; Q665-Q669 HydrophobicContact CB-CB 4.2Å; Q665-Q669 HydrophobicContact CB-CG 4.34Å; Q665-Q669 PolarHBondContact OE1-O 2.94Å; D666-Q669 HydrophobicContact CB-CB 4.27Å; D666-Q669 WeakPolarHBondContact O-CB 3.46Å; D666-Q669 PolarHBondContact O-N 3.42Å; R667-Q669 VanDerWaalsContact C-N 3.31Å; Q669-L671 WeakPolarHBondContact CG-O 3.34Å; Q669-L671 PolarHBondContact NE2-O 3.22Å
670	E	82.2	Confident	90.6	Very high	24 Å²	24	42.2 Å²	42.2	11%	0.112	22%	0.215	C	C	.	.			trans	-86.1	-27.1	179	-65.8	-80.8	180	0	0	112.8	H635 G668 R701	H635-E670 IonicContact CD2-OE1 3.79Å; H635-E670 IonicContact CE1-OE2 2.71Å; H635-E670 IonicContact NE2-OE1 3.73Å; H635-E670 IonicContact NE2-OE2 3.56Å; H635-E670 PolarHBondContact NE2-OE2 3.15Å; G668-E670 PolarHBondContact O-N 3.02Å; E670-R701 PolarHBondContact O-NH2 3.37Å
671	L	86.4	Confident	90.5	Very high	30 Å²	30	43.2 Å²	43.2	16%	0.157	22%	0.224	C	C	.	.	S	Bend	trans	-93.4	122.1	-173.7	-69.7	167.4	0	0	0	110.8	Q665 Q669 D673 T711 L712 E716	Q665-L671 PolarHBondContact OE1-O 3.39Å; Q669-L671 WeakPolarHBondContact CG-O 3.34Å; Q669-L671 PolarHBondContact NE2-O 3.22Å; L671-D673 PolarHBondContact O-N 2.97Å; L671-T711 HydrophobicContact CD1-CG2 3.37Å; L671-L712 HydrophobicContact CD2-CB 4Å; L671-E716 WeakPolarHBondContact CA-OE1 3.45Å; L671-E716 HydrophobicContact CD2-CG 4.44Å
672	V	90.1	Very high	90.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-80.5	120.9	-169.4	-168.2	0	0	0	0	111.3	I631 A645 I663 L675 E716 Q719	I631-V672 HydrophobicContact CG2-CG2 4.18Å; A645-V672 HydrophobicContact CB-CB 4.34Å; A645-V672 HydrophobicContact CB-CG1 3.71Å; A645-V672 HydrophobicContact CB-CG2 3.61Å; I663-V672 HydrophobicContact CB-CG1 4.38Å; I663-V672 HydrophobicContact CD1-CG1 3.44Å; I663-V672 VanDerWaalsContact CD1-CG1 3.44Å; I663-V672 HydrophobicContact CG2-CG1 4.27Å; V672-L675 HydrophobicContact CB-CD1 4.07Å; V672-L675 HydrophobicContact CB-CD2 3.88Å; V672-L675 HydrophobicContact CB-CG 3.83Å; V672-L675 HydrophobicContact CG1-CD2 3.65Å; V672-L675 HydrophobicContact CG1-CG 3.81Å; V672-E716 PolarHBondContact N-OE1 2.81Å; V672-Q719 PolarHBondContact O-NE2 2.77Å
673	D	89.6	Confident	90.7	Very high	89 Å²	89	40.5 Å²	40.5	48%	0.476	21%	0.213	S	C	.	.	S	Bend	trans	-93.4	142.1	166.2	-171.9	26.8	0	0	0	110.5	I663 L671 Y715	I663-D673 WeakPolarHBondContact CG2-O 3.34Å; L671-D673 PolarHBondContact O-N 2.97Å; D673-Y715 HydrophobicContact CB-CE1 4.4Å; D673-Y715 PolarHBondContact OD1-OH 2.81Å
674	G	92.4	Very high	90.8	Very high	21 Å²	21	46.9 Å²	46.9	22%	0.216	24%	0.235	C	C	.	.			trans	90	11.6	-177.7	0	0	0	0	0	116.4	K676 V677 C678	G674-K676 PolarHBondContact O-N 3.37Å; G674-V677 PolarHBondContact O-N 3.45Å; G674-C678 PolarHBondContact O-N 3.11Å
675	L	96.6	Very high	91.1	Very high	1 Å²	1	45 Å²	45	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-33.8	175	-70.3	172.7	0	0	0	112.8	I631 F647 V672 V677 C678 L679 E716 Q719 F720	I631-L675 HydrophobicContact CD1-CD2 3.7Å; I631-L675 HydrophobicContact CG1-CD2 4.49Å; F647-L675 HydrophobicContact CD2-CD2 4.18Å; V672-L675 HydrophobicContact CB-CD1 4.07Å; V672-L675 HydrophobicContact CB-CD2 3.88Å; V672-L675 HydrophobicContact CB-CG 3.83Å; V672-L675 HydrophobicContact CG1-CD2 3.65Å; V672-L675 HydrophobicContact CG1-CG 3.81Å; L675-V677 VanDerWaalsContact C-N 3.31Å; L675-V677 PolarHBondContact O-N 2.91Å; L675-C678 PolarHBondContact O-N 3.19Å; L675-L679 PolarHBondContact O-N 3.42Å; L675-E716 HydrophobicContact CD1-CB 3.58Å; L675-E716 HydrophobicContact CD1-CG 3.66Å; L675-Q719 HydrophobicContact CB-CB 4.09Å; L675-F720 HydrophobicContact CB-CD1 4.37Å; L675-F720 HydrophobicContact CB-CE1 3.83Å; L675-F720 HydrophobicContact CB-CZ 4.29Å; L675-F720 HydrophobicContact CD1-CE1 4.15Å; L675-F720 HydrophobicContact CD1-CE2 4.32Å; L675-F720 HydrophobicContact CD1-CZ 3.75Å; L675-F720 HydrophobicContact CD2-CE1 4.26Å; L675-F720 HydrophobicContact CD2-CZ 4.25Å; L675-F720 HydrophobicContact CG-CE1 4.32Å; L675-F720 HydrophobicContact CG-CZ 4.34Å
676	K	95.9	Very high	91.5	Very high	80 Å²	80	44.6 Å²	44.6	35%	0.348	23%	0.228	S	C	.	.	H	α-helix	trans	-53.7	-46.9	173.7	178	167.1	-176.7	172.9	0	111.9	G674 L679 Q680 Q719 D722 C723	G674-K676 PolarHBondContact O-N 3.37Å; K676-L679 PolarHBondContact O-N 3.46Å; K676-Q680 WeakPolarHBondContact O-CB 3.28Å; K676-Q680 PolarHBondContact O-N 2.89Å; K676-Q719 HydrophobicContact CB-CB 4.39Å; K676-D722 WeakPolarHBondContact CE-O 3.49Å; K676-D722 PolarHBondContact NZ-O 3.47Å; K676-C723 HydrophobicContact CB-CB 4.43Å; K676-C723 HydrophobicContact CG-CB 3.9Å; K676-C723 PolarHBondContact O-SG 3.26Å
677	V	95.4	Very high	92	Very high	72 Å²	72	42 Å²	42	44%	0.436	21%	0.214	S	C	.	.	H	α-helix	trans	-69.4	-40.3	-177.3	-176.3	0	0	0	0	111.1	G674 L675 A681	G674-V677 PolarHBondContact O-N 3.45Å; L675-V677 VanDerWaalsContact C-N 3.31Å; L675-V677 PolarHBondContact O-N 2.91Å; V677-A681 PolarHBondContact O-N 2.69Å; V677-A681 VanDerWaalsContact O-N 3.09Å
678	C	97.6	Very high	92.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.014	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-45.5	175.2	-77.8	0	0	0	0	112.5	F647 G674 L675 A681 A682	F647-C678 HydrophobicContact CB-CB 4.1Å; F647-C678 HydrophobicContact CD1-CB 3.79Å; F647-C678 HydrophobicContact CD2-CB 3.65Å; F647-C678 HydrophobicContact CE1-CB 4.08Å; F647-C678 HydrophobicContact CE2-CB 3.93Å; F647-C678 HydrophobicContact CG-CB 3.58Å; F647-C678 HydrophobicContact CZ-CB 4.14Å; G674-C678 PolarHBondContact O-N 3.11Å; L675-C678 PolarHBondContact O-N 3.19Å; C678-A681 PolarHBondContact O-N 2.96Å; C678-A682 WeakPolarHBondContact O-CB 3.49Å; C678-A682 PolarHBondContact O-N 3.42Å
679	L	98.1	Very high	93.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-39.6	177.6	-178.5	58.7	0	0	0	111.7	M627 F647 L675 K676 A681 A682 L683 I697 F720 C723 L724	M627-L679 HydrophobicContact SD-CD1 4.12Å; F647-L679 HydrophobicContact CZ-CB 4.24Å; F647-L679 HydrophobicContact CZ-CD1 4.41Å; L675-L679 PolarHBondContact O-N 3.42Å; K676-L679 PolarHBondContact O-N 3.46Å; L679-A681 VanDerWaalsContact C-N 3.32Å; L679-A681 PolarHBondContact O-N 3.47Å; L679-A682 PolarHBondContact O-N 3.19Å; L679-L683 HydrophobicContact CD1-CD1 3.97Å; L679-L683 HydrophobicContact CD1-CG 4.03Å; L679-L683 HydrophobicContact CD2-CD1 4.49Å; L679-L683 HydrophobicContact CG-CD1 3.81Å; L679-L683 HydrophobicContact CG-CG 4.34Å; L679-L683 WeakPolarHBondContact O-CB 3.08Å; L679-L683 VanDerWaalsContact O-CG 3.3Å; L679-L683 WeakPolarHBondContact O-CG 3.07Å; L679-L683 PolarHBondContact O-N 3.25Å; L679-I697 HydrophobicContact CD1-CD1 4.43Å; L679-I697 HydrophobicContact CD1-CG2 4.43Å; L679-F720 HydrophobicContact CB-CD1 4.44Å; L679-F720 HydrophobicContact CD2-CB 4.14Å; L679-F720 HydrophobicContact CD2-CD1 3.77Å; L679-F720 HydrophobicContact CD2-CG 4.38Å; L679-C723 HydrophobicContact CB-CB 4.46Å; L679-C723 HydrophobicContact CD2-CB 4.04Å; L679-C723 HydrophobicContact CG-CB 4.43Å; L679-L724 HydrophobicContact CD2-CD2 4.14Å; L679-L724 HydrophobicContact CD2-CG 4.44Å
680	Q	97.1	Very high	94.5	Very high	59 Å²	59	38.7 Å²	38.7	28%	0.276	21%	0.212	S	C	.	.	H	α-helix	trans	-62.2	-40.1	176.7	-167.7	-179.9	17.1	0	0	111.8	K676 R684 C723	K676-Q680 WeakPolarHBondContact O-CB 3.28Å; K676-Q680 PolarHBondContact O-N 2.89Å; Q680-R684 WeakPolarHBondContact O-CG 3.33Å; Q680-R684 PolarHBondContact O-N 3.01Å; Q680-R684 VanDerWaalsContact O-N 3.16Å; Q680-C723 PolarHBondContact N-SG 2.9Å; Q680-C723 VanDerWaalsContact N-SG 3.4Å
681	A	97.2	Very high	95.1	Very high	21 Å²	21	46.2 Å²	46.2	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-41.4	175.3	0	0	0	0	0	112.3	F659 V677 C678 L679 R684 A685	F659-A681 HydrophobicContact CE1-CB 4.13Å; F659-A681 HydrophobicContact CE2-CB 4.22Å; F659-A681 HydrophobicContact CZ-CB 3.53Å; V677-A681 PolarHBondContact O-N 2.69Å; V677-A681 VanDerWaalsContact O-N 3.09Å; C678-A681 PolarHBondContact O-N 2.96Å; L679-A681 VanDerWaalsContact C-N 3.32Å; L679-A681 PolarHBondContact O-N 3.47Å; A681-R684 PolarHBondContact O-N 3.47Å; A681-A685 PolarHBondContact O-N 2.74Å
682	A	98.3	Very high	95.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-39.3	176.1	0	0	0	0	0	112.8	M627 F647 A649 F659 C678 L679 A685 W686	M627-A682 HydrophobicContact CE-CB 4.26Å; M627-A682 WeakPolarHBondContact CE-O 3.26Å; M627-A682 HydrophobicContact SD-CB 4.31Å; F647-A682 HydrophobicContact CE1-CB 3.91Å; F647-A682 HydrophobicContact CZ-CB 4.45Å; A649-A682 HydrophobicContact CB-CB 3.74Å; F659-A682 HydrophobicContact CD1-CB 3.64Å; F659-A682 HydrophobicContact CE1-CB 4.05Å; F659-A682 HydrophobicContact CG-CB 4.29Å; C678-A682 WeakPolarHBondContact O-CB 3.49Å; C678-A682 PolarHBondContact O-N 3.42Å; L679-A682 PolarHBondContact O-N 3.19Å; A682-A685 PolarHBondContact O-N 3.39Å; A682-W686 PolarHBondContact O-N 2.78Å
683	L	97.6	Very high	95.7	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-36	177.2	-71.7	168.2	0	0	0	112.1	M627 L679 W686 N687 M693 P694 I697 L724 I727	M627-L683 HydrophobicContact CE-CD2 3.86Å; M627-L683 HydrophobicContact CE-CG 4.38Å; M627-L683 HydrophobicContact SD-CD2 4.03Å; M627-L683 HydrophobicContact SD-CG 4.47Å; L679-L683 HydrophobicContact CD1-CD1 3.97Å; L679-L683 HydrophobicContact CD1-CG 4.03Å; L679-L683 HydrophobicContact CD2-CD1 4.49Å; L679-L683 HydrophobicContact CG-CD1 3.81Å; L679-L683 HydrophobicContact CG-CG 4.34Å; L679-L683 WeakPolarHBondContact O-CB 3.08Å; L679-L683 VanDerWaalsContact O-CG 3.3Å; L679-L683 WeakPolarHBondContact O-CG 3.07Å; L679-L683 PolarHBondContact O-N 3.25Å; L683-W686 PolarHBondContact O-N 2.79Å; L683-N687 WeakPolarHBondContact O-CB 3.47Å; L683-N687 PolarHBondContact O-N 2.87Å; L683-M693 HydrophobicContact CB-CE 4.01Å; L683-M693 HydrophobicContact CD2-CE 4.27Å; L683-P694 HydrophobicContact CD2-CG 3.4Å; L683-I697 HydrophobicContact CD1-CD1 4.44Å; L683-I697 HydrophobicContact CD2-CD1 4.11Å; L683-L724 HydrophobicContact CD1-CD2 3.81Å; L683-I727 HydrophobicContact CB-CD1 4.48Å; L683-I727 HydrophobicContact CD1-CD1 3.43Å; L683-I727 VanDerWaalsContact CD1-CD1 3.43Å
684	R	96.5	Very high	96	Very high	158 Å²	158	47.5 Å²	47.5	60%	0.596	25%	0.247	S	C	*	.	H	α-helix	trans	-61.6	-47.5	168.1	-71.6	172	179.5	154.4	-0.3	111.5	Q680 A681 W686 N687 S688	Q680-R684 WeakPolarHBondContact O-CG 3.33Å; Q680-R684 PolarHBondContact O-N 3.01Å; Q680-R684 VanDerWaalsContact O-N 3.16Å; A681-R684 PolarHBondContact O-N 3.47Å; R684-W686 VanDerWaalsContact C-N 3.31Å; R684-W686 PolarHBondContact O-N 2.95Å; R684-N687 PolarHBondContact O-N 2.85Å; R684-N687 VanDerWaalsContact O-N 3.16Å; R684-S688 PolarHBondContact O-N 2.73Å; R684-S688 PolarHBondContact O-OG 2.94Å
685	A	97.4	Very high	96.1	Very high	11 Å²	11	49 Å²	49	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-36.2	178.6	0	0	0	0	0	112.8	I651 F659 A681 A682 C689	I651-A685 HydrophobicContact CG2-CB 4.04Å; F659-A685 HydrophobicContact CB-CB 4.25Å; F659-A685 HydrophobicContact CD2-CB 3.81Å; F659-A685 HydrophobicContact CG-CB 4.23Å; A681-A685 PolarHBondContact O-N 2.74Å; A682-A685 PolarHBondContact O-N 3.39Å; A685-C689 WeakPolarHBondContact O-CB 3.11Å; A685-C689 PolarHBondContact O-N 3.04Å
686	W	97	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-51.1	170	178.8	-69.1	0	0	0	111.2	A626 M627 E653 A682 L683 R684 S688 C689 N690 Y692 P694	A626-W686 WeakPolarHBondContact O-CH2 3.5Å; A626-W686 WeakPolarHBondContact O-CZ3 3.33Å; M627-W686 HydrophobicContact CB-CE3 3.95Å; M627-W686 HydrophobicContact CB-CZ3 4.01Å; M627-W686 HydrophobicContact CE-CB 3.55Å; M627-W686 HydrophobicContact CE-CD2 4.16Å; M627-W686 HydrophobicContact CE-CE3 3.81Å; M627-W686 HydrophobicContact CE-CG 4.07Å; M627-W686 HydrophobicContact CG-CE3 4.42Å; E653-W686 WeakPolarHBondContact OE1-CZ2 3.36Å; A682-W686 PolarHBondContact O-N 2.78Å; L683-W686 PolarHBondContact O-N 2.79Å; R684-W686 VanDerWaalsContact C-N 3.31Å; R684-W686 PolarHBondContact O-N 2.95Å; W686-S688 VanDerWaalsContact C-N 3.3Å; W686-S688 PolarHBondContact O-N 2.73Å; W686-C689 PolarHBondContact O-N 3.41Å; W686-N690 PolarHBondContact O-N 3.31Å; W686-N690 PolarHBondContact O-ND2 3.36Å; W686-Y692 HydrophobicContact CZ2-CE2 4.09Å; W686-Y692 AromaticContact NE1-CD2 3.86Å; W686-Y692 AromaticContact NE1-CE2 3.8Å; W686-Y692 PolarHBondContact NE1-O 2.98Å; W686-P694 HydrophobicContact CD2-CB 4.13Å; W686-P694 HydrophobicContact CD2-CG 4.2Å; W686-P694 HydrophobicContact CG-CG 4.26Å; W686-P694 HydrophobicContact CH2-CB 4.5Å; W686-P694 HydrophobicContact CZ2-CB 4.07Å
687	N	95.6	Very high	96.2	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-39	-178.4	-163.1	78.5	0	0	0	111.7	L683 R684 C689 E691 M693	L683-N687 WeakPolarHBondContact O-CB 3.47Å; L683-N687 PolarHBondContact O-N 2.87Å; R684-N687 PolarHBondContact O-N 2.85Å; R684-N687 VanDerWaalsContact O-N 3.16Å; N687-C689 PolarHBondContact O-N 3.3Å; N687-E691 VanDerWaalsContact O-CA 3.31Å; N687-E691 WeakPolarHBondContact O-CA 3.35Å; N687-E691 PolarHBondContact O-N 3.25Å; N687-M693 HydrophobicContact CB-SD 3.85Å
688	S	95.4	Very high	96.4	Very high	107 Å²	107	43.5 Å²	43.5	75%	0.748	22%	0.223	S	C	*	.	H	α-helix	trans	-67.1	-17.1	173.2	-61.1	0	0	0	0	114.6	R684 W686	R684-S688 PolarHBondContact O-N 2.73Å; R684-S688 PolarHBondContact O-OG 2.94Å; W686-S688 VanDerWaalsContact C-N 3.3Å; W686-S688 PolarHBondContact O-N 2.73Å
689	C	94	Very high	96.4	Very high	44 Å²	44	43.4 Å²	43.4	30%	0.297	22%	0.223	S	C	.	.	H	α-helix	trans	-101.8	-18.8	179.7	-168.7	0	0	0	0	113.5	I651 A685 W686 N687	I651-C689 WeakPolarHBondContact O-CB 3.42Å; A685-C689 WeakPolarHBondContact O-CB 3.11Å; A685-C689 PolarHBondContact O-N 3.04Å; W686-C689 PolarHBondContact O-N 3.41Å; N687-C689 PolarHBondContact O-N 3.3Å
690	N	94.6	Very high	96.5	Very high	26 Å²	26	43.4 Å²	43.4	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-131.3	-9.8	-172.9	-50.9	-89.4	0	0	0	114.2	I651 W686 Y692	I651-N690 PolarHBondContact O-ND2 2.95Å; W686-N690 PolarHBondContact O-N 3.31Å; W686-N690 PolarHBondContact O-ND2 3.36Å; N690-Y692 HydrophobicContact CB-CD1 4.22Å; N690-Y692 HydrophobicContact CB-CD2 4.23Å; N690-Y692 HydrophobicContact CB-CE1 3.85Å; N690-Y692 HydrophobicContact CB-CE2 3.84Å; N690-Y692 HydrophobicContact CB-CG 4.4Å; N690-Y692 WeakPolarHBondContact O-CD1 3.36Å; N690-Y692 WeakPolarHBondContact O-CE1 3.3Å; N690-Y692 PolarHBondContact O-N 3.48Å
691	E	94.6	Very high	96.5	Very high	182 Å²	182	40.6 Å²	40.6	85%	0.85	21%	0.209	S	C	*	.	S	Bend	trans	64.3	2.8	-177	-54.4	-179.9	168.6	0	0	115.7	N687	N687-E691 VanDerWaalsContact O-CA 3.31Å; N687-E691 WeakPolarHBondContact O-CA 3.35Å; N687-E691 PolarHBondContact O-N 3.25Å
692	Y	93.1	Very high	96.3	Very high	91 Å²	91	40 Å²	40	36%	0.357	20%	0.203	S	C	.	.	S	Bend	trans	-136.8	162	172.3	56.5	-102.5	0	0	0	111.4	L625 E653 W686 N690	L625-Y692 HydrophobicContact CD2-CD2 3.64Å; L625-Y692 HydrophobicContact CD2-CE2 3.18Å; E653-Y692 VanDerWaalsContact CG-OH 3.32Å; E653-Y692 WeakPolarHBondContact CG-OH 3.43Å; W686-Y692 HydrophobicContact CZ2-CE2 4.09Å; W686-Y692 AromaticContact NE1-CD2 3.86Å; W686-Y692 AromaticContact NE1-CE2 3.8Å; W686-Y692 PolarHBondContact NE1-O 2.98Å; N690-Y692 HydrophobicContact CB-CD1 4.22Å; N690-Y692 HydrophobicContact CB-CD2 4.23Å; N690-Y692 HydrophobicContact CB-CE1 3.85Å; N690-Y692 HydrophobicContact CB-CE2 3.84Å; N690-Y692 HydrophobicContact CB-CG 4.4Å; N690-Y692 WeakPolarHBondContact O-CD1 3.36Å; N690-Y692 WeakPolarHBondContact O-CE1 3.3Å; N690-Y692 PolarHBondContact O-N 3.48Å
693	M	94.9	Very high	95.4	Very high	54 Å²	54	41.7 Å²	41.7	27%	0.266	22%	0.221	S	C	.	.			trans	-87.9	148.7	177.7	-64.7	-70	-74.8	0	0	112	L683 N687 I727 Y731	L683-M693 HydrophobicContact CB-CE 4.01Å; L683-M693 HydrophobicContact CD2-CE 4.27Å; N687-M693 HydrophobicContact CB-SD 3.85Å; M693-I727 HydrophobicContact CE-CD1 4.06Å; M693-I727 HydrophobicContact CE-CG2 3.89Å; M693-Y731 HydrophobicContact CB-CD2 4.19Å; M693-Y731 HydrophobicContact CB-CE2 3.56Å; M693-Y731 HydrophobicContact CE-CD1 4.34Å; M693-Y731 HydrophobicContact CE-CE1 3.77Å; M693-Y731 HydrophobicContact CE-CE2 4.4Å; M693-Y731 HydrophobicContact CG-CE2 4.43Å
694	P	96.3	Very high	94.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.			trans	-71.1	139.8	178.1	29.6	-31.5	0	0	0	110.3	L625 M627 L683 W686 I697 Y731	L625-P694 CarbonylContact O-C 3.58Å; L625-P694 WeakPolarHBondContact O-CA 3.25Å; L625-P694 WeakPolarHBondContact O-CB 3.34Å; M627-P694 HydrophobicContact CB-CB 4.1Å; M627-P694 HydrophobicContact CB-CG 4.13Å; M627-P694 HydrophobicContact CE-CG 4.36Å; L683-P694 HydrophobicContact CD2-CG 3.4Å; W686-P694 HydrophobicContact CD2-CB 4.13Å; W686-P694 HydrophobicContact CD2-CG 4.2Å; W686-P694 HydrophobicContact CG-CG 4.26Å; W686-P694 HydrophobicContact CH2-CB 4.5Å; W686-P694 HydrophobicContact CZ2-CB 4.07Å; P694-I697 HydrophobicContact CG-CG1 4.45Å; P694-Y731 WeakPolarHBondContact CD-OH 3.38Å; P694-Y731 WeakPolarHBondContact O-CE2 3.02Å; P694-Y731 PolarHBondContact O-OH 3.36Å
695	S	95.6	Very high	93.8	Very high	53 Å²	53	35.8 Å²	35.8	37%	0.371	21%	0.208	S	C	.	.	S	Bend	trans	-86	-13.2	176	76.2	0	0	0	0	112.9	L625 P733 R734	L625-S695 WeakPolarHBondContact CB-OG 2.85Å; L625-S695 PolarHBondContact O-N 2.95Å; S695-P733 CarbonylContact O-C 3.39Å; S695-P733 VanDerWaalsContact O-CA 3.27Å; S695-P733 WeakPolarHBondContact O-CA 3.03Å; S695-P733 WeakPolarHBondContact O-CB 3.42Å; S695-R734 PolarHBondContact O-N 3.19Å
696	R	96.5	Very high	92.9	Very high	37 Å²	37	38.5 Å²	38.5	14%	0.14	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.3	178.6	-168.4	174.9	-62.2	136.3	3.8	111.8	L625 A626 M627 I698 R734	L625-R696 PolarHBondContact O-N 3.3Å; L625-R696 VanDerWaalsContact O-N 3.07Å; A626-R696 WeakPolarHBondContact CA-O 3.26Å; A626-R696 HydrophobicContact CB-CB 4.48Å; M627-R696 PolarHBondContact N-O 3.45Å; R696-I698 HydrophobicContact CG-CD1 4.34Å; R696-I698 HydrophobicContact CG-CG1 4.09Å; R696-R734 CarbonylContact C-O 3.6Å; R696-R734 VanDerWaalsContact CA-O 3.28Å; R696-R734 WeakPolarHBondContact CA-O 3.48Å; R696-R734 HydrophobicContact CG-CB 4.33Å
697	I	98.3	Very high	91.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	123.7	177.7	-59.1	164.4	0	0	0	107.8	M627 V629 L679 L683 P694 V699 L724 P733 R734 L735 T736	M627-I697 HydrophobicContact CB-CG1 4.28Å; M627-I697 CarbonylContact O-C 3.56Å; M627-I697 WeakPolarHBondContact O-CA 3.4Å; V629-I697 HydrophobicContact CG2-CG2 4.04Å; L679-I697 HydrophobicContact CD1-CD1 4.43Å; L679-I697 HydrophobicContact CD1-CG2 4.43Å; L683-I697 HydrophobicContact CD1-CD1 4.44Å; L683-I697 HydrophobicContact CD2-CD1 4.11Å; P694-I697 HydrophobicContact CG-CG1 4.45Å; I697-V699 HydrophobicContact CG2-CG2 4.16Å; I697-L724 HydrophobicContact CD1-CD1 4.25Å; I697-L724 HydrophobicContact CD1-CD2 3.42Å; I697-L724 VanDerWaalsContact CD1-CD2 3.42Å; I697-L724 HydrophobicContact CD1-CG 4.43Å; I697-P733 HydrophobicContact CD1-CG 4.1Å; I697-R734 PolarHBondContact N-O 3.38Å; I697-L735 HydrophobicContact CB-CD1 4.2Å; I697-L735 HydrophobicContact CG2-CD1 4.05Å; I697-L735 WeakPolarHBondContact O-CA 3.16Å; I697-T736 PolarHBondContact O-N 2.85Å
698	I	98.6	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	112.9	-178.9	-57.9	177.1	0	0	0	108.3	L623 M627 I628 V629 R696 Y700 T736 I738 L803 L811	L623-I698 HydrophobicContact CD2-CD1 3.79Å; M627-I698 PolarHBondContact O-N 3.3Å; I628-I698 CarbonylContact C-O 3.44Å; I628-I698 WeakPolarHBondContact CA-O 3.31Å; I628-I698 HydrophobicContact CD1-CB 3.91Å; I628-I698 HydrophobicContact CD1-CD1 4.2Å; I628-I698 HydrophobicContact CD1-CG1 4.38Å; V629-I698 PolarHBondContact N-O 3.09Å; R696-I698 HydrophobicContact CG-CD1 4.34Å; R696-I698 HydrophobicContact CG-CG1 4.09Å; I698-Y700 HydrophobicContact CG2-CD2 4.28Å; I698-Y700 HydrophobicContact CG2-CE2 3.65Å; I698-T736 WeakPolarHBondContact CA-O 3.21Å; I698-I738 HydrophobicContact CG2-CD1 4.11Å; I698-L803 HydrophobicContact CD1-CD1 4.17Å; I698-L811 HydrophobicContact CD1-CD2 3.36Å; I698-L811 HydrophobicContact CG2-CD2 4.34Å
699	V	98.8	Very high	90.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.8	-174.9	-173.4	0	0	0	0	110.1	V629 I631 I697 F720 L735 T736 V737 I738	V629-V699 HydrophobicContact CB-CB 4.35Å; V629-V699 HydrophobicContact CB-CG1 4.26Å; V629-V699 HydrophobicContact CB-CG2 4.09Å; V629-V699 HydrophobicContact CG1-CG1 4.18Å; V629-V699 HydrophobicContact CG2-CG2 4.43Å; I631-V699 HydrophobicContact CD1-CG1 3.71Å; I631-V699 HydrophobicContact CG1-CG1 4.48Å; I697-V699 HydrophobicContact CG2-CG2 4.16Å; V699-F720 HydrophobicContact CG1-CE2 4.11Å; V699-F720 HydrophobicContact CG1-CZ 3.94Å; V699-F720 HydrophobicContact CG2-CE2 4.27Å; V699-F720 HydrophobicContact CG2-CZ 4.33Å; V699-L735 HydrophobicContact CG2-CD1 3.88Å; V699-T736 PolarHBondContact N-O 3.05Å; V699-V737 HydrophobicContact CB-CG1 4.25Å; V699-V737 HydrophobicContact CB-CG2 4.31Å; V699-V737 HydrophobicContact CG1-CG1 4.44Å; V699-V737 HydrophobicContact CG2-CG2 4.42Å; V699-I738 PolarHBondContact O-N 3.07Å
700	Y	98.6	Very high	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.9	169.6	-67.5	-93.6	0	0	0	110.1	I628 V629 G630 I631 I698 I738 V740 T812 L815 P829 C832	I628-Y700 HydrophobicContact CG2-CD2 3.99Å; I628-Y700 HydrophobicContact CG2-CE2 3.96Å; V629-Y700 PolarHBondContact O-N 2.98Å; G630-Y700 WeakPolarHBondContact CA-O 3.27Å; I631-Y700 PolarHBondContact N-O 3.23Å; I698-Y700 HydrophobicContact CG2-CD2 4.28Å; I698-Y700 HydrophobicContact CG2-CE2 3.65Å; Y700-I738 CarbonylContact C-O 3.59Å; Y700-I738 WeakPolarHBondContact CA-O 3.3Å; Y700-I738 HydrophobicContact CD1-CB 4.01Å; Y700-I738 HydrophobicContact CD1-CD1 4.32Å; Y700-I738 HydrophobicContact CD1-CG2 4.17Å; Y700-I738 HydrophobicContact CE1-CB 4.24Å; Y700-I738 HydrophobicContact CE1-CD1 3.72Å; Y700-I738 HydrophobicContact CE1-CG1 4.5Å; Y700-I738 HydrophobicContact CE1-CG2 4.23Å; Y700-V740 HydrophobicContact CD1-CG2 3.88Å; Y700-V740 HydrophobicContact CG-CG2 4.43Å; Y700-T812 HydrophobicContact CE1-CG2 4Å; Y700-T812 PolarHBondContact OH-OG1 2.75Å; Y700-T812 VanDerWaalsContact OH-OG1 3.06Å; Y700-L815 HydrophobicContact CD2-CD1 4.23Å; Y700-L815 HydrophobicContact CE2-CD1 3.35Å; Y700-P829 HydrophobicContact CD1-CB 4.49Å; Y700-P829 HydrophobicContact CD1-CG 3.79Å; Y700-P829 HydrophobicContact CE1-CG 3.88Å; Y700-P829 HydrophobicContact CG-CB 4.4Å; Y700-P829 HydrophobicContact CG-CG 4.19Å; Y700-C832 WeakPolarHBondContact CB-SG 3.38Å
701	R	97.3	Very high	89.8	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	105.4	-173.1	178.5	56.7	168.5	111.5	1.8	110.6	C633 E670 V704 L712 E716 I738 V739 V740	C633-R701 PolarHBondContact SG-NH1 3.01Å; E670-R701 PolarHBondContact O-NH2 3.37Å; R701-V704 HydrophobicContact CG-CG2 4.01Å; R701-L712 HydrophobicContact CG-CD1 4Å; R701-E716 IonicContact CZ-OE1 2.7Å; R701-E716 IonicContact CZ-OE2 3.11Å; R701-E716 IonicContact NE-OE1 3.9Å; R701-E716 PolarHBondContact NE-OE1 3.19Å; R701-E716 IonicContact NE-OE2 2.63Å; R701-E716 PolarHBondContact NE-OE2 3.26Å; R701-E716 IonicContact NH2-OE1 3.31Å; R701-E716 PolarHBondContact NH2-OE1 3.08Å; R701-E716 IonicContact NH2-OE2 3.45Å; R701-I738 PolarHBondContact N-O 3.06Å; R701-V739 CarbonylContact O-C 3.32Å; R701-V739 WeakPolarHBondContact O-CA 3.26Å; R701-V740 PolarHBondContact O-N 2.98Å
702	D	93.5	Very high	89.5	Confident	9 Å²	9	30.5 Å²	30.5	5%	0.048	18%	0.18	C	C	.	.			trans	-89.2	165.8	177.4	-161.9	-1.7	0	0	0	111.1	I631 D632 V740 K742 C832	I631-D702 PolarHBondContact O-N 3.16Å; D632-D702 HydrophobicContact CB-CB 4.25Å; D702-V740 HydrophobicContact CB-CB 4.34Å; D702-K742 VanDerWaalsContact OD2-CD 3.26Å; D702-K742 WeakPolarHBondContact OD2-CD 3.46Å; D702-K742 WeakPolarHBondContact OD2-CE 3.32Å; D702-K742 IonicContact OD2-NZ 3.96Å; D702-K742 PolarHBondContact OD2-NZ 3.47Å; D702-C832 HydrophobicContact CB-CB 4.39Å
703	G	79.1	Confident	89.3	Confident	35 Å²	35	28 Å²	28	36%	0.361	18%	0.175	S	C	.	.	S	Bend	trans	89.6	-9.6	172.9	0	0	0	0	0	116.5
704	V	82.6	Confident	89.1	Confident	6 Å²	6	30.5 Å²	30.5	4%	0.036	19%	0.189	C	C	.	.			trans	-96.3	127.8	-169	-175.7	0	0	0	0	112.7	R701 Q708 L712 V739	R701-V704 HydrophobicContact CG-CG2 4.01Å; V704-Q708 HydrophobicContact CG1-CB 4.02Å; V704-L712 HydrophobicContact CB-CD1 4.07Å; V704-L712 HydrophobicContact CG1-CD1 3.74Å; V704-L712 HydrophobicContact CG2-CD1 3.72Å; V704-V739 HydrophobicContact CB-CG1 4.22Å
705	G	78.1	Confident	88.9	Confident	31 Å²	31	35.1 Å²	35.1	32%	0.32	21%	0.207	S	C	.	.			trans	-87.5	157	176.3	0	0	0	0	0	114.4	G707 Q708	G705-G707 VanDerWaalsContact C-N 3.32Å; G705-G707 PolarHBondContact O-N 3.05Å; G705-Q708 PolarHBondContact O-N 3.09Å
706	D	77.9	Confident	88.9	Confident	67 Å²	67	32.7 Å²	32.7	36%	0.358	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-50.7	-44.7	-174.3	-61.4	11.2	0	0	0	114.1	Q708 L709 K741 W774	D706-Q708 PolarHBondContact O-N 3.38Å; D706-L709 WeakPolarHBondContact O-CB 3.45Å; D706-L709 VanDerWaalsContact O-CG 3.32Å; D706-L709 WeakPolarHBondContact O-CG 3.49Å; D706-L709 PolarHBondContact O-N 3.26Å; D706-K741 WeakPolarHBondContact OD1-CE 3.18Å; D706-K741 IonicContact OD1-NZ 2.8Å; D706-K741 PolarHBondContact OD1-NZ 3.29Å; D706-W774 HydrophobicContact CB-CH2 4.41Å
707	G	73.6	Confident	88.8	Confident	45 Å²	45	31.1 Å²	31.1	46%	0.464	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-75.3	17.8	179	0	0	0	0	0	115.3	G705	G705-G707 VanDerWaalsContact C-N 3.32Å; G705-G707 PolarHBondContact O-N 3.05Å
708	Q	81.4	Confident	88.7	Confident	43 Å²	43	33.3 Å²	33.3	20%	0.201	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-128.1	1	172.4	-66.7	170.6	-96.5	0	0	111.8	V704 G705 D706 K710 T711 L712	V704-Q708 HydrophobicContact CG1-CB 4.02Å; G705-Q708 PolarHBondContact O-N 3.09Å; D706-Q708 PolarHBondContact O-N 3.38Å; Q708-K710 PolarHBondContact O-N 3.28Å; Q708-T711 PolarHBondContact O-N 3.28Å; Q708-L712 PolarHBondContact O-N 3.11Å
709	L	85.9	Confident	88.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-42.1	-176.8	-70.4	172.9	0	0	0	111.9	V91 D706 T711 L712 V713 V739 W774 I797	V91-L709 HydrophobicContact CG1-CB 4.27Å; V91-L709 HydrophobicContact CG2-CB 4.42Å; D706-L709 WeakPolarHBondContact O-CB 3.45Å; D706-L709 VanDerWaalsContact O-CG 3.32Å; D706-L709 WeakPolarHBondContact O-CG 3.49Å; D706-L709 PolarHBondContact O-N 3.26Å; L709-T711 VanDerWaalsContact C-N 3.35Å; L709-T711 PolarHBondContact O-N 3.29Å; L709-L712 PolarHBondContact O-N 3.17Å; L709-V713 WeakPolarHBondContact O-CG2 3.24Å; L709-V713 PolarHBondContact O-N 3.13Å; L709-V739 HydrophobicContact CD2-CB 4.35Å; L709-V739 HydrophobicContact CD2-CG1 4.24Å; L709-V739 HydrophobicContact CD2-CG2 3.93Å; L709-W774 HydrophobicContact CD1-CH2 4.05Å; L709-W774 HydrophobicContact CD1-CZ2 3.63Å; L709-I797 HydrophobicContact CD2-CG2 4.23Å
710	K	85.8	Confident	88.6	Confident	95 Å²	95	34.5 Å²	34.5	41%	0.413	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-43.3	178.4	-171.9	169.8	-179	174.2	0	111.6	D88 V91 Q708 L712 V713 N714	D88-K710 WeakPolarHBondContact OD2-CB 3.29Å; D88-K710 PolarHBondContact OD2-N 3.38Å; V91-K710 VanDerWaalsContact CG2-CA 3.49Å; V91-K710 HydrophobicContact CG2-CB 3.44Å; V91-K710 VanDerWaalsContact CG2-CB 3.44Å; V91-K710 HydrophobicContact CG2-CG 4.08Å; Q708-K710 PolarHBondContact O-N 3.28Å; K710-L712 VanDerWaalsContact C-N 3.33Å; K710-L712 PolarHBondContact O-N 3.35Å; K710-V713 PolarHBondContact O-N 3.2Å; K710-N714 VanDerWaalsContact O-CB 3.3Å; K710-N714 WeakPolarHBondContact O-CB 3.37Å; K710-N714 PolarHBondContact O-N 2.8Å
711	T	85.4	Confident	88.4	Confident	72 Å²	72	36.5 Å²	36.5	44%	0.442	22%	0.215	S	C	.	.	H	α-helix	trans	-66.2	-38.2	179.3	-35.8	0	0	0	0	111.2	L671 Q708 L709 N714 Y715	L671-T711 HydrophobicContact CD1-CG2 3.37Å; Q708-T711 PolarHBondContact O-N 3.28Å; L709-T711 VanDerWaalsContact C-N 3.35Å; L709-T711 PolarHBondContact O-N 3.29Å; T711-N714 PolarHBondContact O-N 3.05Å; T711-Y715 WeakPolarHBondContact O-CB 3.22Å; T711-Y715 PolarHBondContact O-N 3.07Å
712	L	87.8	Confident	88.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-49.7	174.9	-171.9	168.5	0	0	0	111.7	L671 R701 V704 Q708 L709 K710 N714 Y715 E716 V717 V739 I797	L671-L712 HydrophobicContact CD2-CB 4Å; R701-L712 HydrophobicContact CG-CD1 4Å; V704-L712 HydrophobicContact CB-CD1 4.07Å; V704-L712 HydrophobicContact CG1-CD1 3.74Å; V704-L712 HydrophobicContact CG2-CD1 3.72Å; Q708-L712 PolarHBondContact O-N 3.11Å; L709-L712 PolarHBondContact O-N 3.17Å; K710-L712 VanDerWaalsContact C-N 3.33Å; K710-L712 PolarHBondContact O-N 3.35Å; L712-N714 PolarHBondContact O-N 2.83Å; L712-Y715 PolarHBondContact O-N 3.33Å; L712-Y715 VanDerWaalsContact O-N 3.16Å; L712-E716 HydrophobicContact CD2-CB 4.02Å; L712-E716 HydrophobicContact CG-CB 4.04Å; L712-E716 HydrophobicContact CG-CG 4.1Å; L712-E716 PolarHBondContact O-N 3.22Å; L712-V717 HydrophobicContact CD2-CG2 4.21Å; L712-V717 PolarHBondContact O-N 3.26Å; L712-V739 HydrophobicContact CD1-CG2 4.08Å; L712-I797 HydrophobicContact CD2-CD1 3.2Å; L712-I797 HydrophobicContact CG-CD1 4.42Å
713	V	89.6	Confident	88.4	Confident	39 Å²	39	39.2 Å²	39.2	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-37.2	176.4	171.3	0	0	0	0	111.3	L709 K710 P718 I797	L709-V713 WeakPolarHBondContact O-CG2 3.24Å; L709-V713 PolarHBondContact O-N 3.13Å; K710-V713 PolarHBondContact O-N 3.2Å; V713-P718 WeakPolarHBondContact O-CD 3.44Å; V713-I797 HydrophobicContact CG2-CB 4.03Å; V713-I797 HydrophobicContact CG2-CD1 4.08Å
714	N	90.8	Very high	89.1	Confident	106 Å²	106	38 Å²	38	57%	0.567	21%	0.214	S	C	*	.	H	α-helix	trans	-86.8	-7.6	-178.8	-66.6	0.1	0	0	0	114.6	K710 T711 L712	K710-N714 VanDerWaalsContact O-CB 3.3Å; K710-N714 WeakPolarHBondContact O-CB 3.37Å; K710-N714 PolarHBondContact O-N 2.8Å; T711-N714 PolarHBondContact O-N 3.05Å; L712-N714 PolarHBondContact O-N 2.83Å
715	Y	92.1	Very high	89.6	Confident	98 Å²	98	44.6 Å²	44.6	38%	0.384	24%	0.242	S	C	.	.	H	α-helix	trans	-132.3	-44.3	-172.5	-169.6	-98	0	0	0	114.9	D673 T711 L712 Q719	D673-Y715 HydrophobicContact CB-CE1 4.4Å; D673-Y715 PolarHBondContact OD1-OH 2.81Å; T711-Y715 WeakPolarHBondContact O-CB 3.22Å; T711-Y715 PolarHBondContact O-N 3.07Å; L712-Y715 PolarHBondContact O-N 3.33Å; L712-Y715 VanDerWaalsContact O-N 3.16Å; Y715-Q719 WeakPolarHBondContact O-CG 3.29Å; Y715-Q719 PolarHBondContact O-NE2 2.82Å
716	E	95.1	Very high	90.3	Very high	2 Å²	2	46 Å²	46	1%	0.009	25%	0.247	C	C	.	.	H	α-helix	trans	-82.8	-40.2	178.2	-65.6	-168.9	-179.4	0	0	111.6	L671 V672 L675 R701 L712 Q719 F720	L671-E716 WeakPolarHBondContact CA-OE1 3.45Å; L671-E716 HydrophobicContact CD2-CG 4.44Å; V672-E716 PolarHBondContact N-OE1 2.81Å; L675-E716 HydrophobicContact CD1-CB 3.58Å; L675-E716 HydrophobicContact CD1-CG 3.66Å; R701-E716 IonicContact CZ-OE1 2.7Å; R701-E716 IonicContact CZ-OE2 3.11Å; R701-E716 IonicContact NE-OE1 3.9Å; R701-E716 PolarHBondContact NE-OE1 3.19Å; R701-E716 IonicContact NE-OE2 2.63Å; R701-E716 PolarHBondContact NE-OE2 3.26Å; R701-E716 IonicContact NH2-OE1 3.31Å; R701-E716 PolarHBondContact NH2-OE1 3.08Å; R701-E716 IonicContact NH2-OE2 3.45Å; L712-E716 HydrophobicContact CD2-CB 4.02Å; L712-E716 HydrophobicContact CG-CB 4.04Å; L712-E716 HydrophobicContact CG-CG 4.1Å; L712-E716 PolarHBondContact O-N 3.22Å; E716-Q719 PolarHBondContact O-N 2.9Å; E716-F720 WeakPolarHBondContact O-CD2 3.11Å
717	V	94.9	Very high	90.8	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.024	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-43.8	-179.5	-177.4	0	0	0	0	112.8	L712 Q719 F720 L721 V737 I797 Y798	L712-V717 HydrophobicContact CD2-CG2 4.21Å; L712-V717 PolarHBondContact O-N 3.26Å; V717-Q719 VanDerWaalsContact C-N 3.3Å; V717-Q719 PolarHBondContact O-N 3.5Å; V717-F720 PolarHBondContact O-N 2.87Å; V717-F720 VanDerWaalsContact O-N 3.15Å; V717-L721 HydrophobicContact CG1-CD1 4.2Å; V717-L721 HydrophobicContact CG1-CG 4.45Å; V717-L721 PolarHBondContact O-N 2.54Å; V717-L721 VanDerWaalsContact O-N 3.16Å; V717-V737 HydrophobicContact CG2-CG2 4.35Å; V717-I797 HydrophobicContact CG2-CD1 4.35Å; V717-Y798 HydrophobicContact CG1-CD1 4.31Å; V717-Y798 HydrophobicContact CG1-CD2 3.7Å; V717-Y798 HydrophobicContact CG1-CE2 4.22Å; V717-Y798 HydrophobicContact CG1-CG 3.75Å
718	P	96.1	Very high	91.1	Very high	46 Å²	46	45.3 Å²	45.3	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-36.8	176.2	-26.7	37.4	0	0	0	113.4	V713 F720 L721 D722	V713-P718 WeakPolarHBondContact O-CD 3.44Å; P718-F720 VanDerWaalsContact C-N 3.27Å; P718-F720 PolarHBondContact O-N 2.76Å; P718-L721 PolarHBondContact O-N 2.67Å; P718-L721 VanDerWaalsContact O-N 3.13Å; P718-D722 WeakPolarHBondContact O-CB 3.29Å; P718-D722 VanDerWaalsContact O-CG 3.3Å; P718-D722 PolarHBondContact O-N 2.83Å
719	Q	97.2	Very high	90.8	Very high	25 Å²	25	56.3 Å²	56.3	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-36.2	176.7	-70.7	177.5	65.1	0	0	112.6	V672 L675 K676 Y715 E716 V717 C723	V672-Q719 PolarHBondContact O-NE2 2.77Å; L675-Q719 HydrophobicContact CB-CB 4.09Å; K676-Q719 HydrophobicContact CB-CB 4.39Å; Y715-Q719 WeakPolarHBondContact O-CG 3.29Å; Y715-Q719 PolarHBondContact O-NE2 2.82Å; E716-Q719 PolarHBondContact O-N 2.9Å; V717-Q719 VanDerWaalsContact C-N 3.3Å; V717-Q719 PolarHBondContact O-N 3.5Å; Q719-C723 WeakPolarHBondContact O-CB 3.43Å; Q719-C723 PolarHBondContact O-N 2.76Å; Q719-C723 VanDerWaalsContact O-N 3.15Å
720	F	97.1	Very high	90.5	Very high	1 Å²	1	60 Å²	60	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-68.4	-50.8	172.2	-59.1	-50	0	0	0	110.9	I631 F647 L675 L679 V699 E716 V717 P718 D722 C723 L724 L735 V737	I631-F720 HydrophobicContact CD1-CE1 4.23Å; I631-F720 HydrophobicContact CD1-CZ 3.61Å; F647-F720 HydrophobicContact CE2-CE1 4.36Å; L675-F720 HydrophobicContact CB-CD1 4.37Å; L675-F720 HydrophobicContact CB-CE1 3.83Å; L675-F720 HydrophobicContact CB-CZ 4.29Å; L675-F720 HydrophobicContact CD1-CE1 4.15Å; L675-F720 HydrophobicContact CD1-CE2 4.32Å; L675-F720 HydrophobicContact CD1-CZ 3.75Å; L675-F720 HydrophobicContact CD2-CE1 4.26Å; L675-F720 HydrophobicContact CD2-CZ 4.25Å; L675-F720 HydrophobicContact CG-CE1 4.32Å; L675-F720 HydrophobicContact CG-CZ 4.34Å; L679-F720 HydrophobicContact CB-CD1 4.44Å; L679-F720 HydrophobicContact CD2-CB 4.14Å; L679-F720 HydrophobicContact CD2-CD1 3.77Å; L679-F720 HydrophobicContact CD2-CG 4.38Å; V699-F720 HydrophobicContact CG1-CE2 4.11Å; V699-F720 HydrophobicContact CG1-CZ 3.94Å; V699-F720 HydrophobicContact CG2-CE2 4.27Å; V699-F720 HydrophobicContact CG2-CZ 4.33Å; E716-F720 WeakPolarHBondContact O-CD2 3.11Å; V717-F720 PolarHBondContact O-N 2.87Å; V717-F720 VanDerWaalsContact O-N 3.15Å; P718-F720 VanDerWaalsContact C-N 3.27Å; P718-F720 PolarHBondContact O-N 2.76Å; F720-D722 VanDerWaalsContact C-N 3.28Å; F720-D722 PolarHBondContact O-N 2.86Å; F720-C723 WeakPolarHBondContact O-CA 3.37Å; F720-C723 VanDerWaalsContact O-CB 3.23Å; F720-C723 WeakPolarHBondContact O-CB 3.44Å; F720-C723 PolarHBondContact O-N 2.82Å; F720-L724 WeakPolarHBondContact O-CG 3.41Å; F720-L724 PolarHBondContact O-N 3.38Å; F720-L735 HydrophobicContact CB-CD2 3.77Å; F720-V737 HydrophobicContact CD2-CG2 4.26Å; F720-V737 HydrophobicContact CE2-CG2 4.46Å
721	L	95.5	Very high	90.8	Very high	42 Å²	42	57.6 Å²	57.6	22%	0.22	31%	0.307	C	S	.	.	H	α-helix	trans	-58.3	-40.6	-178.9	-64	175.2	0	0	0	112.2	V717 P718 C723 L724 K725 L735 Y798	V717-L721 HydrophobicContact CG1-CD1 4.2Å; V717-L721 HydrophobicContact CG1-CG 4.45Å; V717-L721 PolarHBondContact O-N 2.54Å; V717-L721 VanDerWaalsContact O-N 3.16Å; P718-L721 PolarHBondContact O-N 2.67Å; P718-L721 VanDerWaalsContact O-N 3.13Å; L721-C723 VanDerWaalsContact C-N 3.34Å; L721-L724 PolarHBondContact O-N 3.35Å; L721-K725 VanDerWaalsContact O-CG 3.31Å; L721-K725 WeakPolarHBondContact O-CG 3.41Å; L721-K725 PolarHBondContact O-N 3.33Å; L721-L735 HydrophobicContact CD2-CD2 3.74Å; L721-L735 HydrophobicContact CG-CD2 4.23Å; L721-Y798 HydrophobicContact CD1-CE2 4.27Å; L721-Y798 HydrophobicContact CD2-CE1 4.34Å
722	D	94.9	Very high	91.1	Very high	66 Å²	66	61 Å²	61	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-76.6	-20.5	178.9	-65.4	-18.4	0	0	0	113.3	K676 P718 F720 K725 S726	K676-D722 WeakPolarHBondContact CE-O 3.49Å; K676-D722 PolarHBondContact NZ-O 3.47Å; P718-D722 WeakPolarHBondContact O-CB 3.29Å; P718-D722 VanDerWaalsContact O-CG 3.3Å; P718-D722 PolarHBondContact O-N 2.83Å; F720-D722 VanDerWaalsContact C-N 3.28Å; F720-D722 PolarHBondContact O-N 2.86Å; D722-K725 IonicContact OD1-NZ 2.72Å; D722-K725 PolarHBondContact OD1-NZ 2.74Å; D722-S726 WeakPolarHBondContact O-CB 3.49Å; D722-S726 PolarHBondContact O-N 2.66Å; D722-S726 PolarHBondContact O-OG 3.06Å
723	C	95.6	Very high	91.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.5	-51.3	164.1	-172.4	0	0	0	0	110.2	K676 L679 Q680 Q719 F720 L721 S726	K676-C723 HydrophobicContact CB-CB 4.43Å; K676-C723 HydrophobicContact CG-CB 3.9Å; K676-C723 PolarHBondContact O-SG 3.26Å; L679-C723 HydrophobicContact CB-CB 4.46Å; L679-C723 HydrophobicContact CD2-CB 4.04Å; L679-C723 HydrophobicContact CG-CB 4.43Å; Q680-C723 PolarHBondContact N-SG 2.9Å; Q680-C723 VanDerWaalsContact N-SG 3.4Å; Q719-C723 WeakPolarHBondContact O-CB 3.43Å; Q719-C723 PolarHBondContact O-N 2.76Å; Q719-C723 VanDerWaalsContact O-N 3.15Å; F720-C723 WeakPolarHBondContact O-CA 3.37Å; F720-C723 VanDerWaalsContact O-CB 3.23Å; F720-C723 WeakPolarHBondContact O-CB 3.44Å; F720-C723 PolarHBondContact O-N 2.82Å; L721-C723 VanDerWaalsContact C-N 3.34Å; C723-S726 PolarHBondContact O-N 3.4Å; C723-S726 VanDerWaalsContact O-N 3.08Å; C723-S726 PolarHBondContact O-OG 2.98Å
724	L	94.6	Very high	91.7	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.052	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-46.8	-175.1	-59.1	174	0	0	0	112	L679 L683 I697 F720 L721 S726 I727 Y731 P733 L735	L679-L724 HydrophobicContact CD2-CD2 4.14Å; L679-L724 HydrophobicContact CD2-CG 4.44Å; L683-L724 HydrophobicContact CD1-CD2 3.81Å; I697-L724 HydrophobicContact CD1-CD1 4.25Å; I697-L724 HydrophobicContact CD1-CD2 3.42Å; I697-L724 VanDerWaalsContact CD1-CD2 3.42Å; I697-L724 HydrophobicContact CD1-CG 4.43Å; F720-L724 WeakPolarHBondContact O-CG 3.41Å; F720-L724 PolarHBondContact O-N 3.38Å; L721-L724 PolarHBondContact O-N 3.35Å; L724-S726 PolarHBondContact O-N 2.99Å; L724-I727 PolarHBondContact O-N 2.88Å; L724-Y731 HydrophobicContact CD2-CE1 4.03Å; L724-P733 HydrophobicContact CB-CG 4.48Å; L724-P733 HydrophobicContact CD1-CG 3.95Å; L724-P733 HydrophobicContact CD2-CG 3.79Å; L724-P733 HydrophobicContact CG-CG 4.25Å; L724-L735 HydrophobicContact CD1-CB 4.46Å
725	K	92.6	Very high	92	Very high	144 Å²	144	60.4 Å²	60.4	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-56.6	-33.7	173.1	-67.1	169.1	-164.5	161.4	0	113.1	L721 D722 I727	L721-K725 VanDerWaalsContact O-CG 3.31Å; L721-K725 WeakPolarHBondContact O-CG 3.41Å; L721-K725 PolarHBondContact O-N 3.33Å; D722-K725 IonicContact OD1-NZ 2.72Å; D722-K725 PolarHBondContact OD1-NZ 2.74Å; K725-I727 VanDerWaalsContact C-N 3.28Å; K725-I727 PolarHBondContact O-N 2.86Å
726	S	92.2	Very high	92.3	Very high	61 Å²	61	55.7 Å²	55.7	43%	0.427	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.2	-175.1	71.3	0	0	0	0	115	D722 C723 L724	D722-S726 WeakPolarHBondContact O-CB 3.49Å; D722-S726 PolarHBondContact O-N 2.66Å; D722-S726 PolarHBondContact O-OG 3.06Å; C723-S726 PolarHBondContact O-N 3.4Å; C723-S726 VanDerWaalsContact O-N 3.08Å; C723-S726 PolarHBondContact O-OG 2.98Å; L724-S726 PolarHBondContact O-N 2.99Å
727	I	87.9	Confident	92.4	Very high	62 Å²	62	55.7 Å²	55.7	32%	0.318	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-35	-175.8	-72.3	167	0	0	0	112.5	L683 M693 L724 K725 Y731	L683-I727 HydrophobicContact CB-CD1 4.48Å; L683-I727 HydrophobicContact CD1-CD1 3.43Å; L683-I727 VanDerWaalsContact CD1-CD1 3.43Å; M693-I727 HydrophobicContact CE-CD1 4.06Å; M693-I727 HydrophobicContact CE-CG2 3.89Å; L724-I727 PolarHBondContact O-N 2.88Å; K725-I727 VanDerWaalsContact C-N 3.28Å; K725-I727 PolarHBondContact O-N 2.86Å; I727-Y731 HydrophobicContact CB-CD1 3.93Å; I727-Y731 HydrophobicContact CD1-CD1 4.07Å; I727-Y731 HydrophobicContact CD1-CE1 3.88Å; I727-Y731 HydrophobicContact CG2-CD1 3.73Å; I727-Y731 HydrophobicContact CG2-CE1 4.35Å; I727-Y731 HydrophobicContact CG2-CG 4.24Å
728	G	81.4	Confident	92.5	Very high	36 Å²	36	55.5 Å²	55.5	37%	0.371	29%	0.29	S	S	.	.			trans	168.5	153.5	177	0	0	0	0	0	113.7	G730 Y731	G728-G730 PolarHBondContact O-N 2.98Å; G728-Y731 PolarHBondContact O-N 2.84Å; G728-Y731 VanDerWaalsContact O-N 3.11Å
729	R	73.5	Confident	92.6	Very high	273 Å²	273	53.3 Å²	53.3	100%	1.03	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-3.6	-170.8	-69.7	-172.2	177.1	-170.6	-0.1	116.3
730	G	81.5	Confident	92.6	Very high	78 Å²	78	52.1 Å²	52.1	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-1	175.5	0	0	0	0	0	115.2	G728 N732	G728-G730 PolarHBondContact O-N 2.98Å; G730-N732 PolarHBondContact O-N 3.31Å
731	Y	91.3	Very high	92.4	Very high	44 Å²	44	52.9 Å²	52.9	17%	0.173	27%	0.273	C	S	.	.			trans	-91.9	101.2	-176.6	-177	-118.6	0	0	0	111.2	M693 P694 L724 I727 G728 P733	M693-Y731 HydrophobicContact CB-CD2 4.19Å; M693-Y731 HydrophobicContact CB-CE2 3.56Å; M693-Y731 HydrophobicContact CE-CD1 4.34Å; M693-Y731 HydrophobicContact CE-CE1 3.77Å; M693-Y731 HydrophobicContact CE-CE2 4.4Å; M693-Y731 HydrophobicContact CG-CE2 4.43Å; P694-Y731 WeakPolarHBondContact CD-OH 3.38Å; P694-Y731 WeakPolarHBondContact O-CE2 3.02Å; P694-Y731 PolarHBondContact O-OH 3.36Å; L724-Y731 HydrophobicContact CD2-CE1 4.03Å; I727-Y731 HydrophobicContact CB-CD1 3.93Å; I727-Y731 HydrophobicContact CD1-CD1 4.07Å; I727-Y731 HydrophobicContact CD1-CE1 3.88Å; I727-Y731 HydrophobicContact CG2-CD1 3.73Å; I727-Y731 HydrophobicContact CG2-CE1 4.35Å; I727-Y731 HydrophobicContact CG2-CG 4.24Å; G728-Y731 PolarHBondContact O-N 2.84Å; G728-Y731 VanDerWaalsContact O-N 3.11Å; Y731-P733 HydrophobicContact CD1-CG 4.26Å; Y731-P733 HydrophobicContact CE1-CG 3.63Å; Y731-P733 HydrophobicContact CE2-CB 4.06Å; Y731-P733 HydrophobicContact CE2-CG 4.01Å; Y731-P733 VanDerWaalsContact CZ-CG 3.47Å
732	N	90.8	Very high	92.1	Very high	143 Å²	143	53 Å²	53	77%	0.765	27%	0.272	S	S	*	.			trans	-127.3	72.3	-180	-172	27	0	0	0	111.2	G730	G730-N732 PolarHBondContact O-N 3.31Å
733	P	94.9	Very high	91.7	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.039	29%	0.286	C	S	.	.			trans	-73.7	155.1	178.9	35	-38.1	0	0	0	110.9	S695 I697 L724 Y731	S695-P733 CarbonylContact O-C 3.39Å; S695-P733 VanDerWaalsContact O-CA 3.27Å; S695-P733 WeakPolarHBondContact O-CA 3.03Å; S695-P733 WeakPolarHBondContact O-CB 3.42Å; I697-P733 HydrophobicContact CD1-CG 4.1Å; L724-P733 HydrophobicContact CB-CG 4.48Å; L724-P733 HydrophobicContact CD1-CG 3.95Å; L724-P733 HydrophobicContact CD2-CG 3.79Å; L724-P733 HydrophobicContact CG-CG 4.25Å; Y731-P733 HydrophobicContact CD1-CG 4.26Å; Y731-P733 HydrophobicContact CE1-CG 3.63Å; Y731-P733 HydrophobicContact CE2-CB 4.06Å; Y731-P733 HydrophobicContact CE2-CG 4.01Å; Y731-P733 VanDerWaalsContact CZ-CG 3.47Å
734	R	96.1	Very high	91.4	Very high	127 Å²	127	59.2 Å²	59.2	48%	0.479	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132	176.2	-53.2	-167.7	-164.6	-178.8	-4.2	110.8	S695 R696 I697 N800 S801	S695-R734 PolarHBondContact O-N 3.19Å; R696-R734 CarbonylContact C-O 3.6Å; R696-R734 VanDerWaalsContact CA-O 3.28Å; R696-R734 WeakPolarHBondContact CA-O 3.48Å; R696-R734 HydrophobicContact CG-CB 4.33Å; I697-R734 PolarHBondContact N-O 3.38Å; R734-N800 WeakPolarHBondContact CA-OD1 3.34Å; R734-N800 WeakPolarHBondContact CD-O 3.28Å; R734-S801 WeakPolarHBondContact CD-O 3.49Å; R734-S801 PolarHBondContact NH1-O 3.18Å
735	L	97.3	Very high	91.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.4	179.1	177.2	66.9	0	0	0	110.5	I697 V699 F720 L721 L724 V737 Y798 N800	I697-L735 HydrophobicContact CB-CD1 4.2Å; I697-L735 HydrophobicContact CG2-CD1 4.05Å; I697-L735 WeakPolarHBondContact O-CA 3.16Å; V699-L735 HydrophobicContact CG2-CD1 3.88Å; F720-L735 HydrophobicContact CB-CD2 3.77Å; L721-L735 HydrophobicContact CD2-CD2 3.74Å; L721-L735 HydrophobicContact CG-CD2 4.23Å; L724-L735 HydrophobicContact CD1-CB 4.46Å; L735-V737 HydrophobicContact CD1-CG2 4.12Å; L735-V737 HydrophobicContact CD2-CG2 4.21Å; L735-V737 HydrophobicContact CG-CG2 4.03Å; L735-Y798 HydrophobicContact CB-CD1 4.42Å; L735-Y798 HydrophobicContact CB-CE1 4Å; L735-Y798 HydrophobicContact CD2-CD1 4.15Å; L735-Y798 HydrophobicContact CD2-CE1 4.01Å; L735-Y798 HydrophobicContact CG-CD1 4.1Å; L735-Y798 HydrophobicContact CG-CE1 4.09Å; L735-Y798 WeakPolarHBondContact O-CD1 3.21Å; L735-Y798 WeakPolarHBondContact O-CE1 3.14Å; L735-N800 PolarHBondContact N-OD1 3.33Å; L735-N800 PolarHBondContact O-N 3.37Å; L735-N800 VanDerWaalsContact O-N 3.07Å; L735-N800 PolarHBondContact O-OD1 2.81Å
736	T	97.6	Very high	91.3	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	134.2	168.1	-46.9	0	0	0	0	108.6	I697 I698 V699 I738 V796 Y798 D799 S801 I808	I697-T736 PolarHBondContact O-N 2.85Å; I698-T736 WeakPolarHBondContact CA-O 3.21Å; V699-T736 PolarHBondContact N-O 3.05Å; T736-I738 HydrophobicContact CG2-CD1 4.14Å; T736-I738 HydrophobicContact CG2-CG1 3.93Å; T736-V796 HydrophobicContact CG2-CG1 3.95Å; T736-Y798 CarbonylContact C-O 3.59Å; T736-Y798 WeakPolarHBondContact CA-O 3.36Å; T736-D799 WeakPolarHBondContact CB-OD1 3.44Å; T736-D799 HydrophobicContact CG2-CB 4.21Å; T736-D799 WeakPolarHBondContact CG2-OD1 3.35Å; T736-D799 PolarHBondContact OG1-OD1 3.21Å; T736-S801 WeakPolarHBondContact OG1-CB 3.43Å; T736-S801 PolarHBondContact OG1-OG 3.05Å; T736-I808 HydrophobicContact CG2-CD1 4.31Å
737	V	97.4	Very high	91.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.9	176	-170.4	0	0	0	0	109.7	V699 V717 F720 L735 I797 Y798	V699-V737 HydrophobicContact CB-CG1 4.25Å; V699-V737 HydrophobicContact CB-CG2 4.31Å; V699-V737 HydrophobicContact CG1-CG1 4.44Å; V699-V737 HydrophobicContact CG2-CG2 4.42Å; V717-V737 HydrophobicContact CG2-CG2 4.35Å; F720-V737 HydrophobicContact CD2-CG2 4.26Å; F720-V737 HydrophobicContact CE2-CG2 4.46Å; L735-V737 HydrophobicContact CD1-CG2 4.12Å; L735-V737 HydrophobicContact CD2-CG2 4.21Å; L735-V737 HydrophobicContact CG-CG2 4.03Å; V737-I797 HydrophobicContact CB-CD1 4.3Å; V737-I797 HydrophobicContact CB-CG1 4.04Å; V737-I797 HydrophobicContact CG1-CD1 3.78Å; V737-I797 HydrophobicContact CG1-CG1 3.97Å; V737-I797 VanDerWaalsContact O-CG1 3.23Å; V737-I797 WeakPolarHBondContact O-CG1 3.42Å; V737-I797 PolarHBondContact O-N 2.94Å; V737-Y798 HydrophobicContact CG2-CD1 4.49Å; V737-Y798 PolarHBondContact N-O 2.85Å; V737-Y798 PolarHBondContact O-N 2.91Å
738	I	97.8	Very high	91.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116	-171.5	-48.4	-177.4	0	0	0	108.7	I698 V699 Y700 R701 T736 Y794 N795 V796 I808	I698-I738 HydrophobicContact CG2-CD1 4.11Å; V699-I738 PolarHBondContact O-N 3.07Å; Y700-I738 CarbonylContact C-O 3.59Å; Y700-I738 WeakPolarHBondContact CA-O 3.3Å; Y700-I738 HydrophobicContact CD1-CB 4.01Å; Y700-I738 HydrophobicContact CD1-CD1 4.32Å; Y700-I738 HydrophobicContact CD1-CG2 4.17Å; Y700-I738 HydrophobicContact CE1-CB 4.24Å; Y700-I738 HydrophobicContact CE1-CD1 3.72Å; Y700-I738 HydrophobicContact CE1-CG1 4.5Å; Y700-I738 HydrophobicContact CE1-CG2 4.23Å; R701-I738 PolarHBondContact N-O 3.06Å; T736-I738 HydrophobicContact CG2-CD1 4.14Å; T736-I738 HydrophobicContact CG2-CG1 3.93Å; I738-Y794 HydrophobicContact CG2-CD1 4.22Å; I738-N795 CarbonylContact C-O 3.58Å; I738-N795 WeakPolarHBondContact CA-O 3.4Å; I738-V796 HydrophobicContact CD1-CG2 4.41Å; I738-V796 HydrophobicContact CG1-CG2 4.16Å; I738-V796 HydrophobicContact CG2-CG2 4.43Å; I738-I808 HydrophobicContact CD1-CG2 3.71Å
739	V	96.8	Very high	92.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.2	172.9	176.5	0	0	0	0	109.2	R701 V704 L709 L712 K741 Y794 N795 I797	R701-V739 CarbonylContact O-C 3.32Å; R701-V739 WeakPolarHBondContact O-CA 3.26Å; V704-V739 HydrophobicContact CB-CG1 4.22Å; L709-V739 HydrophobicContact CD2-CB 4.35Å; L709-V739 HydrophobicContact CD2-CG1 4.24Å; L709-V739 HydrophobicContact CD2-CG2 3.93Å; L712-V739 HydrophobicContact CD1-CG2 4.08Å; V739-K741 HydrophobicContact CG1-CG 4.17Å; V739-Y794 WeakPolarHBondContact O-CA 3.25Å; V739-N795 PolarHBondContact N-O 3.19Å; V739-N795 PolarHBondContact O-N 3.5Å; V739-I797 HydrophobicContact CG2-CD1 3.69Å; V739-I797 HydrophobicContact CG2-CG1 4.05Å; V739-I797 HydrophobicContact CG2-CG2 3.88Å
740	V	97.1	Very high	93.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.9	179	-174.9	0	0	0	0	108.9	Y700 R701 D702 T792 Y794 V828	Y700-V740 HydrophobicContact CD1-CG2 3.88Å; Y700-V740 HydrophobicContact CG-CG2 4.43Å; R701-V740 PolarHBondContact O-N 2.98Å; D702-V740 HydrophobicContact CB-CB 4.34Å; V740-T792 HydrophobicContact CG1-CG2 3.59Å; V740-Y794 HydrophobicContact CB-CD1 4.47Å; V740-Y794 HydrophobicContact CB-CE1 4.4Å; V740-Y794 HydrophobicContact CG1-CD1 4.31Å; V740-Y794 HydrophobicContact CG1-CE1 3.83Å; V740-Y794 HydrophobicContact CG2-CD1 3.93Å; V740-Y794 HydrophobicContact CG2-CE1 3.9Å; V740-V828 HydrophobicContact CG1-CB 4.32Å; V740-V828 HydrophobicContact CG1-CG1 3.82Å
741	K	92.7	Very high	94	Very high	17 Å²	17	37 Å²	37	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	104.6	178	-55.8	179	-163.4	165.8	0	110.9	D706 V739 V744 H793	D706-K741 WeakPolarHBondContact OD1-CE 3.18Å; D706-K741 IonicContact OD1-NZ 2.8Å; D706-K741 PolarHBondContact OD1-NZ 3.29Å; V739-K741 HydrophobicContact CG1-CG 4.17Å; K741-V744 HydrophobicContact CB-CG1 4.16Å; K741-H793 HydrophobicContact CB-CB 4.23Å; K741-H793 PolarHBondContact N-O 3.1Å; K741-H793 PolarHBondContact O-N 2.84Å; K741-H793 VanDerWaalsContact O-N 3.13Å
742	K	90.4	Very high	93.7	Very high	44 Å²	44	37.8 Å²	37.8	19%	0.191	18%	0.179	C	C	.	.	S	Bend	trans	-72.7	-22.6	172.9	-71.1	166.9	170.3	159.3	0	113.8	D702 R827 V828	D702-K742 VanDerWaalsContact OD2-CD 3.26Å; D702-K742 WeakPolarHBondContact OD2-CD 3.46Å; D702-K742 WeakPolarHBondContact OD2-CE 3.32Å; D702-K742 IonicContact OD2-NZ 3.96Å; D702-K742 PolarHBondContact OD2-NZ 3.47Å; K742-R827 VanDerWaalsContact O-CZ 3.23Å; K742-R827 PolarHBondContact O-NH1 3.09Å; K742-R827 PolarHBondContact O-NH2 3.16Å; K742-V828 HydrophobicContact CD-CG1 4.05Å; K742-V828 HydrophobicContact CG-CG1 3.51Å
743	R	86.2	Confident	93.1	Very high	175 Å²	175	34.9 Å²	34.9	66%	0.66	18%	0.183	S	C	*	.			trans	-111.9	93.6	-173.3	-67.2	-179.3	179.8	166.2	-1.5	109.9
744	V	89.9	Confident	92.4	Very high	22 Å²	22	38 Å²	38	13%	0.133	22%	0.216	C	C	.	.			trans	-130.8	149.9	-178.9	-62.4	0	0	0	0	111.5	K741 R747 F778 P791 H793	K741-V744 HydrophobicContact CB-CG1 4.16Å; V744-R747 PolarHBondContact O-NH1 2.99Å; V744-R747 PolarHBondContact O-NH2 3.17Å; V744-R747 VanDerWaalsContact O-NH2 3.16Å; V744-F778 HydrophobicContact CG2-CE1 4.43Å; V744-P791 HydrophobicContact CG2-CG 4.02Å; V744-H793 HydrophobicContact CG1-CB 3.76Å
745	N	90.4	Very high	91.9	Very high	60 Å²	60	41 Å²	41	32%	0.321	23%	0.228	S	C	.	.	S	Bend	trans	-81.6	-24.8	177.9	-63.9	-12.8	0	0	0	112.6	N117 T253 R747	N117-N745 PolarHBondContact ND2-O 3.27Å; T253-N745 WeakPolarHBondContact CG2-ND2 3.49Å; N745-R747 PolarHBondContact O-N 3.45Å
746	A	94.6	Very high	91.6	Very high	7 Å²	7	41.8 Å²	41.8	6%	0.058	23%	0.232	C	C	.	.			trans	-59.7	133.5	178.7	0	0	0	0	0	111.9	F748 F778 P791	A746-F748 HydrophobicContact CB-CE2 4.39Å; A746-F748 HydrophobicContact CB-CZ 4.09Å; A746-F778 HydrophobicContact CB-CE1 3.89Å; A746-F778 HydrophobicContact CB-CZ 4.14Å; A746-P791 VanDerWaalsContact O-CD 3.31Å; A746-P791 WeakPolarHBondContact O-CD 3.14Å; A746-P791 WeakPolarHBondContact O-CG 3.26Å
747	R	95.9	Very high	91.4	Very high	16 Å²	16	45.6 Å²	45.6	6%	0.06	25%	0.249	C	C	.	.			trans	-125.6	147.2	173.2	-58.1	-67.6	168.5	-102	-8.1	108.3	T116 N117 D268 V744 N745 F749	T116-R747 VanDerWaalsContact CA-O 3.29Å; T116-R747 WeakPolarHBondContact CA-O 3.34Å; T116-R747 VanDerWaalsContact CB-O 3.29Å; T116-R747 WeakPolarHBondContact CB-O 3.36Å; T116-R747 PolarHBondContact OG1-O 3.16Å; N117-R747 HydrophobicContact CB-CB 4.31Å; N117-R747 PolarHBondContact OD1-N 3.03Å; N117-R747 PolarHBondContact OD1-O 3.33Å; D268-R747 IonicContact OD2-CZ 3.46Å; D268-R747 IonicContact OD2-NE 3.67Å; D268-R747 PolarHBondContact OD2-NE 2.76Å; D268-R747 IonicContact OD2-NH2 3.74Å; D268-R747 PolarHBondContact OD2-NH2 3.47Å; V744-R747 PolarHBondContact O-NH1 2.99Å; V744-R747 PolarHBondContact O-NH2 3.17Å; V744-R747 VanDerWaalsContact O-NH2 3.16Å; N745-R747 PolarHBondContact O-N 3.45Å; R747-F749 HydrophobicContact CB-CE1 4.07Å; R747-F749 HydrophobicContact CB-CE2 4.26Å; R747-F749 HydrophobicContact CB-CZ 3.67Å
748	F	96.5	Very high	91.3	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	138.9	178.6	-58.1	-61.8	0	0	0	108.6	S115 F452 A746 P759 I765 V769 F778 P791	S115-F748 WeakPolarHBondContact O-CA 3.24Å; F452-F748 HydrophobicContact CE1-CD1 4.31Å; F452-F748 HydrophobicContact CE1-CE1 4.37Å; F452-F748 AromaticContact CZ-CD1 3.93Å; F452-F748 HydrophobicContact CZ-CD1 3.93Å; F452-F748 AromaticContact CZ-CE1 3.95Å; F452-F748 HydrophobicContact CZ-CE1 3.95Å; A746-F748 HydrophobicContact CB-CE2 4.39Å; A746-F748 HydrophobicContact CB-CZ 4.09Å; F748-P759 HydrophobicContact CB-CG 3.94Å; F748-P759 WeakPolarHBondContact O-CD 3.32Å; F748-P759 VanDerWaalsContact O-CG 3.31Å; F748-P759 WeakPolarHBondContact O-CG 3.31Å; F748-I765 HydrophobicContact CB-CD1 4.45Å; F748-I765 HydrophobicContact CD1-CD1 4.3Å; F748-I765 HydrophobicContact CD1-CG1 4.11Å; F748-I765 HydrophobicContact CD2-CD1 3.5Å; F748-I765 VanDerWaalsContact CD2-CD1 3.5Å; F748-I765 HydrophobicContact CD2-CG1 4.13Å; F748-I765 HydrophobicContact CE1-CB 4.47Å; F748-I765 HydrophobicContact CE1-CG1 4.12Å; F748-I765 HydrophobicContact CE1-CG2 4.16Å; F748-I765 HydrophobicContact CE2-CB 4.38Å; F748-I765 HydrophobicContact CE2-CD1 3.74Å; F748-I765 HydrophobicContact CE2-CG1 4.1Å; F748-I765 HydrophobicContact CG-CD1 3.81Å; F748-I765 HydrophobicContact CG-CG1 4.14Å; F748-I765 HydrophobicContact CZ-CB 4.18Å; F748-I765 HydrophobicContact CZ-CD1 4.26Å; F748-I765 HydrophobicContact CZ-CG1 4.11Å; F748-I765 HydrophobicContact CZ-CG2 4.12Å; F748-V769 HydrophobicContact CE1-CG2 3.77Å; F748-V769 HydrophobicContact CZ-CG2 3.82Å; F748-F778 HydrophobicContact CE2-CB 3.88Å; F748-F778 AromaticContact CE2-CD1 4Å; F748-F778 HydrophobicContact CE2-CD1 4Å; F748-F778 HydrophobicContact CE2-CD2 4.31Å; F748-F778 AromaticContact CE2-CG 3.82Å; F748-F778 HydrophobicContact CE2-CG 3.82Å; F748-F778 HydrophobicContact CZ-CB 4.45Å; F748-F778 HydrophobicContact CZ-CD1 4.36Å; F748-F778 HydrophobicContact CZ-CD2 4.09Å; F748-F778 HydrophobicContact CZ-CE2 4.43Å; F748-F778 HydrophobicContact CZ-CG 4.07Å; F748-P791 HydrophobicContact CD2-CB 3.92Å; F748-P791 HydrophobicContact CD2-CG 3.74Å; F748-P791 HydrophobicContact CE2-CB 3.91Å; F748-P791 HydrophobicContact CE2-CG 3.65Å
749	F	95.7	Very high	91.2	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129	-179.5	-43.2	-68.5	0	0	0	107.6	L114 S115 P414 R417 L449 R747 L756	L114-F749 CarbonylContact C-O 3.6Å; L114-F749 VanDerWaalsContact CA-O 3.3Å; L114-F749 WeakPolarHBondContact CA-O 3.39Å; S115-F749 PolarHBondContact N-O 2.96Å; S115-F749 PolarHBondContact O-N 2.76Å; P414-F749 HydrophobicContact CB-CD1 3.75Å; P414-F749 HydrophobicContact CB-CE1 4.37Å; P414-F749 HydrophobicContact CG-CD1 4.49Å; R417-F749 HydrophobicContact CB-CE1 4.41Å; R417-F749 HydrophobicContact CB-CZ 4.38Å; R417-F749 HydrophobicContact CG-CE1 4.48Å; R417-F749 HydrophobicContact CG-CZ 4.12Å; L449-F749 HydrophobicContact CD1-CD2 4.45Å; L449-F749 HydrophobicContact CD1-CE2 4.23Å; R747-F749 HydrophobicContact CB-CE1 4.07Å; R747-F749 HydrophobicContact CB-CE2 4.26Å; R747-F749 HydrophobicContact CB-CZ 3.67Å; F749-L756 HydrophobicContact CB-CB 4.21Å; F749-L756 HydrophobicContact CB-CD1 3.83Å; F749-L756 HydrophobicContact CB-CD2 4.12Å; F749-L756 HydrophobicContact CB-CG 4.29Å; F749-L756 HydrophobicContact CD2-CD1 4.26Å; F749-L756 HydrophobicContact CG-CD1 4.18Å
750	A	95.3	Very high	91.1	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135	177.7	0	0	0	0	0	109.8	V112 L114 L756 Q757 P759	V112-A750 HydrophobicContact CG2-CB 4.14Å; L114-A750 HydrophobicContact CD2-CB 4.01Å; A750-L756 WeakPolarHBondContact O-CA 3.09Å; A750-Q757 HydrophobicContact CB-CG 4.18Å; A750-Q757 PolarHBondContact N-O 2.94Å; A750-Q757 WeakPolarHBondContact O-CG 3.48Å; A750-Q757 PolarHBondContact O-N 2.72Å; A750-P759 HydrophobicContact CB-CB 4.29Å; A750-P759 HydrophobicContact CB-CG 4.25Å
751	Q	90.3	Very high	91.1	Very high	110 Å²	110	50.7 Å²	50.7	51%	0.514	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	122.4	176.9	-166.4	174.8	14.3	0	0	109.7	R113 L756	R113-Q751 HydrophobicContact CB-CB 4.45Å; R113-Q751 HydrophobicContact CG-CB 4.5Å; R113-Q751 PolarHBondContact O-N 3.33Å; Q751-L756 HydrophobicContact CB-CD2 4.25Å; Q751-L756 HydrophobicContact CG-CD2 4.5Å
752	S	84.9	Confident	91.3	Very high	59 Å²	59	49.9 Å²	49.9	41%	0.413	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	129.9	-179.7	-176.4	0	0	0	0	110.5	G754 R755 Q757	S752-G754 PolarHBondContact O-N 3.07Å; S752-G754 VanDerWaalsContact O-N 3.16Å; S752-R755 PolarHBondContact N-O 2.81Å; S752-R755 PolarHBondContact O-N 3.31Å; S752-R755 VanDerWaalsContact O-O 3.08Å; S752-Q757 VanDerWaalsContact CB-NE2 3.31Å
753	G	77.7	Confident	91.7	Very high	82 Å²	82	47.8 Å²	47.8	85%	0.845	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.2	178	0	0	0	0	0	114.4	R755	G753-R755 PolarHBondContact O-N 2.89Å
754	G	79.1	Confident	92.3	Very high	72 Å²	72	39.4 Å²	39.4	74%	0.742	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.1	1.1	-176.4	0	0	0	0	0	115.7	S752	S752-G754 PolarHBondContact O-N 3.07Å; S752-G754 VanDerWaalsContact O-N 3.16Å
755	R	86.9	Confident	92.7	Very high	191 Å²	191	38.4 Å²	38.4	72%	0.721	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	158.7	178.1	-60.2	-175.5	-177.4	-175.9	0.5	111.2	S752 G753	S752-R755 PolarHBondContact N-O 2.81Å; S752-R755 PolarHBondContact O-N 3.31Å; S752-R755 VanDerWaalsContact O-O 3.08Å; G753-R755 PolarHBondContact O-N 2.89Å
756	L	90.6	Very high	93	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.1	169.3	-70.5	-170	0	0	0	110.1	P414 E415 Q418 F749 A750 Q751	P414-L756 HydrophobicContact CB-CB 4.26Å; E415-L756 HydrophobicContact CG-CB 4.31Å; E415-L756 WeakPolarHBondContact CG-O 3.39Å; Q418-L756 HydrophobicContact CB-CD1 4.08Å; Q418-L756 VanDerWaalsContact CD-CD1 3.45Å; Q418-L756 HydrophobicContact CG-CD1 4.27Å; F749-L756 HydrophobicContact CB-CB 4.21Å; F749-L756 HydrophobicContact CB-CD1 3.83Å; F749-L756 HydrophobicContact CB-CD2 4.12Å; F749-L756 HydrophobicContact CB-CG 4.29Å; F749-L756 HydrophobicContact CD2-CD1 4.26Å; F749-L756 HydrophobicContact CG-CD1 4.18Å; A750-L756 WeakPolarHBondContact O-CA 3.09Å; Q751-L756 HydrophobicContact CB-CD2 4.25Å; Q751-L756 HydrophobicContact CG-CD2 4.5Å
757	Q	93.9	Very high	93	Very high	80 Å²	80	37 Å²	37	37%	0.374	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	169.1	175.2	62.1	-179.4	13.6	0	0	110.9	A750 S752	A750-Q757 HydrophobicContact CB-CG 4.18Å; A750-Q757 PolarHBondContact N-O 2.94Å; A750-Q757 WeakPolarHBondContact O-CG 3.48Å; A750-Q757 PolarHBondContact O-N 2.72Å; S752-Q757 VanDerWaalsContact CB-NE2 3.31Å
758	N	94.9	Very high	92.9	Very high	39 Å²	39	37.9 Å²	37.9	21%	0.209	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-63.3	133.7	169.9	-76.3	-51.8	0	0	0	109	P414 V784 G787 S788 V789	P414-N758 WeakPolarHBondContact CG-OD1 3.3Å; N758-V784 WeakPolarHBondContact ND2-CG2 3.3Å; N758-G787 PolarHBondContact ND2-O 3.36Å; N758-S788 WeakPolarHBondContact OD1-CA 3.43Å; N758-V789 HydrophobicContact CB-CB 4.48Å; N758-V789 HydrophobicContact CB-CG1 4.1Å; N758-V789 PolarHBondContact OD1-N 2.86Å
759	P	95.6	Very high	92.8	Very high	5 Å²	5	38 Å²	38	3%	0.032	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-57.1	145.9	169.8	-22	32.2	0	0	0	111	L114 F748 A750 T763 V780	L114-P759 HydrophobicContact CD2-CB 4.38Å; L114-P759 HydrophobicContact CD2-CG 4.16Å; F748-P759 HydrophobicContact CB-CG 3.94Å; F748-P759 WeakPolarHBondContact O-CD 3.32Å; F748-P759 VanDerWaalsContact O-CG 3.31Å; F748-P759 WeakPolarHBondContact O-CG 3.31Å; A750-P759 HydrophobicContact CB-CB 4.29Å; A750-P759 HydrophobicContact CB-CG 4.25Å; P759-T763 HydrophobicContact CB-CG2 3.98Å; P759-T763 WeakPolarHBondContact CB-OG1 3.44Å; P759-V780 HydrophobicContact CB-CG2 4.4Å
760	L	95.4	Very high	92.7	Very high	56 Å²	56	37.9 Å²	37.9	29%	0.293	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-70.2	149.2	-179.8	-67.5	176.3	0	0	0	111.1	I456 Q474 G762 T763	I456-L760 HydrophobicContact CD1-CB 4.39Å; I456-L760 HydrophobicContact CD1-CD1 4.33Å; Q474-L760 HydrophobicContact CB-CD2 4.29Å; Q474-L760 HydrophobicContact CG-CD2 4.34Å; L760-G762 PolarHBondContact O-N 2.98Å; L760-T763 PolarHBondContact N-OG1 3.21Å; L760-T763 WeakPolarHBondContact O-CB 3.09Å; L760-T763 PolarHBondContact O-N 2.98Å; L760-T763 PolarHBondContact O-OG1 2.82Å
761	P	96.6	Very high	92.6	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.045	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.3	129.1	162.7	-34.3	41.4	0	0	0	112.3	P473 A476 V780 S781 A783 Y813	P473-P761 VanDerWaalsContact O-CD 3.3Å; P473-P761 WeakPolarHBondContact O-CD 3.49Å; P473-P761 VanDerWaalsContact O-CG 3.28Å; P473-P761 WeakPolarHBondContact O-CG 3.36Å; A476-P761 HydrophobicContact CB-CB 4.07Å; A476-P761 HydrophobicContact CB-CG 3.79Å; P761-V780 CarbonylContact C-O 3.58Å; P761-V780 WeakPolarHBondContact CA-O 3.26Å; P761-S781 WeakPolarHBondContact CB-O 3.48Å; P761-A783 HydrophobicContact CG-CB 3.85Å; P761-Y813 VanDerWaalsContact C-OH 3.29Å; P761-Y813 PolarHBondContact O-OH 2.91Å
762	G	97	Very high	92.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	-2.1	-173	0	0	0	0	0	114.3	L457 L760 V764 V780 Y813	L457-G762 PolarHBondContact N-O 3.5Å; L760-G762 PolarHBondContact O-N 2.98Å; G762-V764 PolarHBondContact O-N 3.32Å; G762-V780 PolarHBondContact N-O 3.06Å; G762-Y813 VanDerWaalsContact CA-CZ 3.42Å; G762-Y813 PolarHBondContact N-OH 2.9Å
763	T	98.2	Very high	92.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122	173.8	-53.4	0	0	0	0	110.7	V112 L114 R455 P759 L760 I765 I779 V780	V112-T763 HydrophobicContact CG1-CG2 4.08Å; L114-T763 HydrophobicContact CD1-CG2 3.92Å; L114-T763 HydrophobicContact CD2-CG2 4.26Å; R455-T763 CarbonylContact O-C 3.59Å; R455-T763 VanDerWaalsContact O-CA 3.3Å; R455-T763 WeakPolarHBondContact O-CA 3.43Å; P759-T763 HydrophobicContact CB-CG2 3.98Å; P759-T763 WeakPolarHBondContact CB-OG1 3.44Å; L760-T763 PolarHBondContact N-OG1 3.21Å; L760-T763 WeakPolarHBondContact O-CB 3.09Å; L760-T763 PolarHBondContact O-N 2.98Å; L760-T763 PolarHBondContact O-OG1 2.82Å; T763-I765 HydrophobicContact CG2-CD1 3.97Å; T763-I779 CarbonylContact O-C 3.54Å; T763-I779 WeakPolarHBondContact O-CA 3.41Å; T763-V780 PolarHBondContact O-N 2.7Å
764	V	98.5	Very high	93.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.8	176.9	179.7	0	0	0	0	109.9	R455 L457 G762 D766 F778 I779 Q809	R455-V764 PolarHBondContact N-O 2.79Å; R455-V764 PolarHBondContact O-N 3.13Å; L457-V764 HydrophobicContact CD1-CG2 3.65Å; L457-V764 HydrophobicContact CD2-CG2 4.27Å; L457-V764 HydrophobicContact CG-CG2 3.66Å; G762-V764 PolarHBondContact O-N 3.32Å; V764-D766 HydrophobicContact CG1-CB 4.47Å; V764-F778 WeakPolarHBondContact CA-O 3.26Å; V764-I779 HydrophobicContact CG2-CD1 4.32Å; V764-I779 HydrophobicContact CG2-CG1 4.17Å; V764-Q809 HydrophobicContact CG1-CG 4.24Å
765	I	98.3	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	112	172.6	-56.9	86	0	0	0	108.3	L114 F452 F748 T763 V769 F777 F778	L114-I765 HydrophobicContact CD1-CD1 4.03Å; L114-I765 HydrophobicContact CD1-CG1 3.58Å; F452-I765 HydrophobicContact CE2-CB 4.4Å; F452-I765 HydrophobicContact CE2-CG1 4.08Å; F452-I765 HydrophobicContact CE2-CG2 3.56Å; F452-I765 HydrophobicContact CZ-CG1 4.03Å; F452-I765 HydrophobicContact CZ-CG2 3.69Å; F748-I765 HydrophobicContact CB-CD1 4.45Å; F748-I765 HydrophobicContact CD1-CD1 4.3Å; F748-I765 HydrophobicContact CD1-CG1 4.11Å; F748-I765 HydrophobicContact CD2-CD1 3.5Å; F748-I765 VanDerWaalsContact CD2-CD1 3.5Å; F748-I765 HydrophobicContact CD2-CG1 4.13Å; F748-I765 HydrophobicContact CE1-CB 4.47Å; F748-I765 HydrophobicContact CE1-CG1 4.12Å; F748-I765 HydrophobicContact CE1-CG2 4.16Å; F748-I765 HydrophobicContact CE2-CB 4.38Å; F748-I765 HydrophobicContact CE2-CD1 3.74Å; F748-I765 HydrophobicContact CE2-CG1 4.1Å; F748-I765 HydrophobicContact CG-CD1 3.81Å; F748-I765 HydrophobicContact CG-CG1 4.14Å; F748-I765 HydrophobicContact CZ-CB 4.18Å; F748-I765 HydrophobicContact CZ-CD1 4.26Å; F748-I765 HydrophobicContact CZ-CG1 4.11Å; F748-I765 HydrophobicContact CZ-CG2 4.12Å; T763-I765 HydrophobicContact CG2-CD1 3.97Å; I765-V769 HydrophobicContact CG2-CG2 3.44Å; I765-V769 VanDerWaalsContact CG2-CG2 3.44Å; I765-F777 CarbonylContact O-C 3.49Å; I765-F777 WeakPolarHBondContact O-CA 3.4Å; I765-F778 HydrophobicContact CB-CB 4.24Å; I765-F778 HydrophobicContact CB-CD2 4.48Å; I765-F778 HydrophobicContact CD1-CB 4.42Å; I765-F778 PolarHBondContact N-O 3.43Å; I765-F778 PolarHBondContact O-N 3.29Å
766	D	96.9	Very high	94.6	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	10%	0.098	C	C	.	.			trans	-130.2	13.8	-177.4	52.9	-16.6	0	0	0	113.3	T105 G106 R455 V764 T770 F777 Q809	T105-D766 VanDerWaalsContact CA-OD2 3.32Å; T105-D766 WeakPolarHBondContact CA-OD2 3.46Å; G106-D766 PolarHBondContact N-OD2 2.82Å; R455-D766 IonicContact CZ-OD2 3.03Å; R455-D766 IonicContact NE-OD1 2.71Å; R455-D766 VanDerWaalsContact NH2-CG 3.29Å; R455-D766 IonicContact NH2-OD1 2.64Å; R455-D766 PolarHBondContact NH2-OD1 2.83Å; R455-D766 IonicContact NH2-OD2 3.18Å; R455-D766 PolarHBondContact NH2-OD2 2.84Å; V764-D766 HydrophobicContact CG1-CB 4.47Å; D766-T770 PolarHBondContact O-OG1 3.14Å; D766-F777 HydrophobicContact CB-CB 3.88Å; D766-Q809 PolarHBondContact OD2-NE2 2.88Å
767	V	94.6	Very high	94.9	Very high	35 Å²	35	18.4 Å²	18.4	21%	0.212	9%	0.094	C	C	.	.	S	Bend	trans	-134.1	164.6	-178.5	-62.8	0	0	0	0	110.8	T105 F452 V769	T105-V767 HydrophobicContact CG2-CG1 3.8Å; F452-V767 HydrophobicContact CD2-CG2 4.08Å; F452-V767 HydrophobicContact CE2-CG2 4.48Å; V767-V769 PolarHBondContact O-N 3.4Å
768	E	93.6	Very high	95.2	Very high	35 Å²	35	15.2 Å²	15.2	16%	0.164	8%	0.079	C	C	.	.	S	Bend	trans	60.4	-56.9	174.9	-67.5	-70.1	107.1	0	0	116.7	R120 Y259 E260 N261 M264 L450 F452	R120-E768 IonicContact NH2-OE2 3.31Å; R120-E768 PolarHBondContact NH2-OE2 3.43Å; Y259-E768 VanDerWaalsContact CB-O 3.29Å; Y259-E768 WeakPolarHBondContact CB-O 3.4Å; E260-E768 PolarHBondContact N-O 3.11Å; N261-E768 PolarHBondContact ND2-OE1 2.9Å; M264-E768 VanDerWaalsContact CE-O 3.23Å; M264-E768 WeakPolarHBondContact CE-O 3.4Å; L450-E768 HydrophobicContact CD2-CB 4.17Å; F452-E768 HydrophobicContact CB-CB 4.49Å; F452-E768 HydrophobicContact CB-CG 3.87Å; F452-E768 HydrophobicContact CG-CB 4.37Å; F452-E768 HydrophobicContact CG-CG 4.24Å
769	V	94.6	Very high	95.3	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	7%	0.07	C	C	.	.	S	Bend	trans	-102.1	7.1	-175.6	-64.3	0	0	0	0	113.8	T116 Y259 M264 L450 F748 I765 V767 F778	T116-V769 HydrophobicContact CG2-CG1 3.89Å; Y259-V769 VanDerWaalsContact CD1-C 3.5Å; Y259-V769 HydrophobicContact CD1-CB 4.49Å; Y259-V769 WeakPolarHBondContact CD1-O 3.48Å; Y259-V769 WeakPolarHBondContact CE1-O 3.33Å; M264-V769 HydrophobicContact CE-CG1 4.18Å; L450-V769 HydrophobicContact CD2-CG1 3.79Å; F748-V769 HydrophobicContact CE1-CG2 3.77Å; F748-V769 HydrophobicContact CZ-CG2 3.82Å; I765-V769 HydrophobicContact CG2-CG2 3.44Å; I765-V769 VanDerWaalsContact CG2-CG2 3.44Å; V767-V769 PolarHBondContact O-N 3.4Å; V769-F778 HydrophobicContact CG2-CE2 4.23Å
770	T	94.7	Very high	95.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-82.4	172.5	170.1	40.5	0	0	0	0	110.8	Y259 E260 D766 D776 F778	Y259-T770 CarbonylContact C-O 3.58Å; Y259-T770 VanDerWaalsContact CA-O 3.29Å; Y259-T770 WeakPolarHBondContact CA-O 3.46Å; E260-T770 PolarHBondContact N-O 2.8Å; E260-T770 PolarHBondContact OE2-OG1 3.49Å; D766-T770 PolarHBondContact O-OG1 3.14Å; T770-D776 WeakPolarHBondContact CB-OD1 3.4Å; T770-D776 WeakPolarHBondContact CG2-O 3.42Å; T770-F778 HydrophobicContact CG2-CD2 4.48Å; T770-F778 HydrophobicContact CG2-CE2 4.43Å
771	R	91.3	Very high	95.4	Very high	19 Å²	19	10.7 Å²	10.7	7%	0.072	6%	0.055	C	C	.	.			trans	-102.9	123.7	-175.3	-69.2	-67.3	-66.6	-142.7	-6.5	111.3	K104 Q258 E773 W774 D776	K104-R771 PolarHBondContact NZ-O 2.94Å; Q258-R771 WeakPolarHBondContact O-CD 3.47Å; Q258-R771 PolarHBondContact O-NE 3.12Å; Q258-R771 PolarHBondContact O-NH1 2.93Å; Q258-R771 VanDerWaalsContact O-NH1 3.12Å; R771-E773 IonicContact CZ-OE1 2.67Å; R771-E773 IonicContact NE-OE1 3.18Å; R771-E773 PolarHBondContact NE-OE1 3.34Å; R771-E773 IonicContact NE-OE2 3.66Å; R771-E773 PolarHBondContact NE-OE2 2.79Å; R771-E773 IonicContact NH2-OE1 3.19Å; R771-E773 PolarHBondContact NH2-OE1 3.35Å; R771-E773 PolarHBondContact O-N 3.31Å; R771-E773 VanDerWaalsContact O-N 3.13Å; R771-W774 HydrophobicContact CB-CB 4.04Å; R771-W774 HydrophobicContact CB-CD2 3.9Å; R771-W774 HydrophobicContact CB-CE3 3.72Å; R771-W774 HydrophobicContact CB-CG 4.08Å; R771-W774 HydrophobicContact CB-CZ3 4.43Å; R771-W774 HydrophobicContact CG-CD2 4.17Å; R771-W774 HydrophobicContact CG-CE3 3.55Å; R771-W774 HydrophobicContact CG-CZ3 3.78Å; R771-W774 PolarHBondContact O-N 3.36Å; R771-W774 VanDerWaalsContact O-O 3.06Å; R771-D776 PolarHBondContact N-OD1 2.68Å; R771-D776 PolarHBondContact N-OD2 3.4Å
772	P	90.3	Very high	95.1	Very high	42 Å²	42	12 Å²	12	27%	0.273	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.7	-173.2	22.8	-32.7	0	0	0	112.5	R94 Q258 W774	R94-P772 WeakPolarHBondContact CD-O 3.27Å; R94-P772 PolarHBondContact NH1-O 3.41Å; Q258-P772 HydrophobicContact CG-CG 4.01Å; P772-W774 VanDerWaalsContact C-N 3.35Å; P772-W774 PolarHBondContact O-N 3.13Å
773	E	88.7	Confident	94.7	Very high	43 Å²	43	13.4 Å²	13.4	20%	0.201	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.1	177.7	73.9	-85	-154.9	0	0	115.1	N92 T93 R94 R771	N92-E773 CarbonylContact C-O 3.51Å; N92-E773 VanDerWaalsContact CA-O 3.3Å; N92-E773 WeakPolarHBondContact CA-O 3.48Å; N92-E773 HydrophobicContact CB-CB 4.28Å; N92-E773 PolarHBondContact OD1-O 2.81Å; T93-E773 PolarHBondContact N-O 3.4Å; R94-E773 PolarHBondContact N-O 3.45Å; R771-E773 IonicContact CZ-OE1 2.67Å; R771-E773 IonicContact NE-OE1 3.18Å; R771-E773 PolarHBondContact NE-OE1 3.34Å; R771-E773 IonicContact NE-OE2 3.66Å; R771-E773 PolarHBondContact NE-OE2 2.79Å; R771-E773 IonicContact NH2-OE1 3.19Å; R771-E773 PolarHBondContact NH2-OE1 3.35Å; R771-E773 PolarHBondContact O-N 3.31Å; R771-E773 VanDerWaalsContact O-N 3.13Å
774	W	92.3	Very high	94.2	Very high	19 Å²	19	14.9 Å²	14.9	7%	0.072	8%	0.081	C	C	.	.	S	Bend	trans	-115.3	147.1	-178.3	-62.9	-19.6	0	0	0	112.3	V91 K104 D706 L709 R771 P772 D776 H793 N795	V91-W774 PolarHBondContact O-NE1 3Å; V91-W774 VanDerWaalsContact O-NE1 3.1Å; K104-W774 WeakPolarHBondContact CD-O 3.31Å; K104-W774 PolarHBondContact NZ-O 3.33Å; D706-W774 HydrophobicContact CB-CH2 4.41Å; L709-W774 HydrophobicContact CD1-CH2 4.05Å; L709-W774 HydrophobicContact CD1-CZ2 3.63Å; R771-W774 HydrophobicContact CB-CB 4.04Å; R771-W774 HydrophobicContact CB-CD2 3.9Å; R771-W774 HydrophobicContact CB-CE3 3.72Å; R771-W774 HydrophobicContact CB-CG 4.08Å; R771-W774 HydrophobicContact CB-CZ3 4.43Å; R771-W774 HydrophobicContact CG-CD2 4.17Å; R771-W774 HydrophobicContact CG-CE3 3.55Å; R771-W774 HydrophobicContact CG-CZ3 3.78Å; R771-W774 PolarHBondContact O-N 3.36Å; R771-W774 VanDerWaalsContact O-O 3.06Å; P772-W774 VanDerWaalsContact C-N 3.35Å; P772-W774 PolarHBondContact O-N 3.13Å; W774-D776 VanDerWaalsContact C-N 3.29Å; W774-D776 HydrophobicContact CB-CB 3.9Å; W774-D776 HydrophobicContact CE3-CB 4.46Å; W774-D776 PolarHBondContact O-N 2.98Å; W774-H793 AromaticContact CZ3-CE1 3.98Å; W774-N795 VanDerWaalsContact CG-ND2 3.32Å
775	Y	94.9	Very high	93.5	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	80.9	157.9	176.1	-163.8	0	0	0	108.3	T93 L97 V100 K104 F777 N795 V796 P805 I808	T93-Y775 PolarHBondContact OG1-N 2.81Å; L97-Y775 HydrophobicContact CD1-CD1 3.96Å; V100-Y775 HydrophobicContact CB-CD1 4.34Å; V100-Y775 HydrophobicContact CB-CG 4.29Å; V100-Y775 HydrophobicContact CG1-CD1 3.95Å; V100-Y775 HydrophobicContact CG1-CD2 4.28Å; V100-Y775 HydrophobicContact CG1-CE1 3.93Å; V100-Y775 HydrophobicContact CG1-CE2 4.28Å; V100-Y775 HydrophobicContact CG1-CG 4.18Å; V100-Y775 HydrophobicContact CG2-CD1 3.76Å; V100-Y775 HydrophobicContact CG2-CG 3.88Å; K104-Y775 HydrophobicContact CB-CD2 3.72Å; K104-Y775 HydrophobicContact CB-CE2 4.21Å; Y775-F777 HydrophobicContact CE2-CD1 4.33Å; Y775-N795 PolarHBondContact O-OD1 2.95Å; Y775-V796 HydrophobicContact CD1-CB 3.44Å; Y775-V796 VanDerWaalsContact CD1-CB 3.44Å; Y775-V796 HydrophobicContact CD1-CG1 3.79Å; Y775-V796 HydrophobicContact CD1-CG2 3.72Å; Y775-V796 HydrophobicContact CD2-CG2 4.36Å; Y775-V796 HydrophobicContact CE1-CB 3.77Å; Y775-V796 HydrophobicContact CE1-CG1 3.93Å; Y775-V796 HydrophobicContact CE1-CG2 3.55Å; Y775-V796 HydrophobicContact CE2-CG2 4.2Å; Y775-V796 HydrophobicContact CG-CB 3.88Å; Y775-V796 HydrophobicContact CG-CG2 4.08Å; Y775-V796 PolarHBondContact O-N 3.16Å; Y775-P805 HydrophobicContact CE2-CB 4.2Å; Y775-P805 HydrophobicContact CE2-CG 4.31Å; Y775-P805 WeakPolarHBondContact OH-CA 3.43Å; Y775-I808 WeakPolarHBondContact OH-CB 3.45Å; Y775-I808 WeakPolarHBondContact OH-CG1 3.49Å
776	D	95.7	Very high	92.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	155.5	-176.1	74.8	-40.3	0	0	0	114.3	K104 T770 R771 W774 H793 Y794 N795	K104-D776 IonicContact NZ-OD1 2.86Å; K104-D776 PolarHBondContact NZ-OD1 2.8Å; T770-D776 WeakPolarHBondContact CB-OD1 3.4Å; T770-D776 WeakPolarHBondContact CG2-O 3.42Å; R771-D776 PolarHBondContact N-OD1 2.68Å; R771-D776 PolarHBondContact N-OD2 3.4Å; W774-D776 VanDerWaalsContact C-N 3.29Å; W774-D776 HydrophobicContact CB-CB 3.9Å; W774-D776 HydrophobicContact CE3-CB 4.46Å; W774-D776 PolarHBondContact O-N 2.98Å; D776-H793 WeakPolarHBondContact CB-NE2 3.33Å; D776-H793 IonicContact OD2-CD2 3.14Å; D776-H793 IonicContact OD2-CE1 2.72Å; D776-H793 IonicContact OD2-NE2 3.96Å; D776-H793 PolarHBondContact OD2-NE2 2.93Å; D776-Y794 CarbonylContact C-O 3.6Å; D776-Y794 WeakPolarHBondContact CA-O 3.38Å; D776-Y794 WeakPolarHBondContact CB-O 3.46Å; D776-N795 HydrophobicContact CB-CB 4.21Å
777	F	97.9	Very high	92.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	162.5	176.6	59.6	-88.9	0	0	0	111.1	I765 D766 Y775 I779 H793 Y794 V796 I808 Q809 T812	I765-F777 CarbonylContact O-C 3.49Å; I765-F777 WeakPolarHBondContact O-CA 3.4Å; D766-F777 HydrophobicContact CB-CB 3.88Å; Y775-F777 HydrophobicContact CE2-CD1 4.33Å; F777-I779 HydrophobicContact CD2-CD1 4.18Å; F777-I779 HydrophobicContact CD2-CG1 3.81Å; F777-I779 HydrophobicContact CE2-CD1 3.77Å; F777-I779 HydrophobicContact CE2-CG1 3.84Å; F777-H793 PolarHBondContact O-CD2 2.67Å; F777-Y794 AromaticContact CD2-CD2 3.93Å; F777-Y794 HydrophobicContact CD2-CD2 3.93Å; F777-Y794 HydrophobicContact CD2-CG 4.32Å; F777-Y794 AromaticContact CE2-CD2 3.54Å; F777-Y794 HydrophobicContact CE2-CD2 3.54Å; F777-Y794 HydrophobicContact CE2-CE2 4.41Å; F777-Y794 AromaticContact CE2-CG 3.68Å; F777-Y794 HydrophobicContact CE2-CG 3.68Å; F777-Y794 HydrophobicContact CZ-CD2 4.3Å; F777-Y794 AromaticContact CZ-CG 3.95Å; F777-Y794 HydrophobicContact CZ-CG 3.95Å; F777-Y794 PolarHBondContact N-O 2.9Å; F777-Y794 PolarHBondContact O-N 3.42Å; F777-V796 HydrophobicContact CE1-CG2 4.31Å; F777-I808 HydrophobicContact CE1-CG2 3.89Å; F777-I808 HydrophobicContact CZ-CG2 3.92Å; F777-Q809 HydrophobicContact CD1-CG 4.16Å; F777-Q809 HydrophobicContact CD2-CG 3.89Å; F777-Q809 HydrophobicContact CE1-CG 4.27Å; F777-Q809 HydrophobicContact CE2-CG 4.02Å; F777-Q809 HydrophobicContact CG-CG 3.98Å; F777-Q809 HydrophobicContact CZ-CG 4.21Å; F777-T812 HydrophobicContact CE2-CG2 4.4Å
778	F	98.4	Very high	92.2	Very high	13 Å²	13	26.2 Å²	26.2	6%	0.057	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	146.2	171.9	-59.5	-100.9	0	0	0	110.5	V744 A746 F748 V764 I765 V769 T770 P791 T792 H793	V744-F778 HydrophobicContact CG2-CE1 4.43Å; A746-F778 HydrophobicContact CB-CE1 3.89Å; A746-F778 HydrophobicContact CB-CZ 4.14Å; F748-F778 HydrophobicContact CE2-CB 3.88Å; F748-F778 AromaticContact CE2-CD1 4Å; F748-F778 HydrophobicContact CE2-CD1 4Å; F748-F778 HydrophobicContact CE2-CD2 4.31Å; F748-F778 AromaticContact CE2-CG 3.82Å; F748-F778 HydrophobicContact CE2-CG 3.82Å; F748-F778 HydrophobicContact CZ-CB 4.45Å; F748-F778 HydrophobicContact CZ-CD1 4.36Å; F748-F778 HydrophobicContact CZ-CD2 4.09Å; F748-F778 HydrophobicContact CZ-CE2 4.43Å; F748-F778 HydrophobicContact CZ-CG 4.07Å; V764-F778 WeakPolarHBondContact CA-O 3.26Å; I765-F778 HydrophobicContact CB-CB 4.24Å; I765-F778 HydrophobicContact CB-CD2 4.48Å; I765-F778 HydrophobicContact CD1-CB 4.42Å; I765-F778 PolarHBondContact N-O 3.43Å; I765-F778 PolarHBondContact O-N 3.29Å; V769-F778 HydrophobicContact CG2-CE2 4.23Å; T770-F778 HydrophobicContact CG2-CD2 4.48Å; T770-F778 HydrophobicContact CG2-CE2 4.43Å; F778-P791 HydrophobicContact CB-CB 4.3Å; F778-P791 HydrophobicContact CD1-CB 4.23Å; F778-P791 HydrophobicContact CD1-CG 4.19Å; F778-T792 CarbonylContact C-O 3.56Å; F778-T792 VanDerWaalsContact CA-O 3.28Å; F778-T792 WeakPolarHBondContact CA-O 3.41Å; F778-H793 HydrophobicContact CD1-CB 3.69Å; F778-H793 AromaticContact CD1-CD2 3.84Å; F778-H793 AromaticContact CD2-CD2 3.93Å; F778-H793 HydrophobicContact CE1-CB 3.6Å; F778-H793 AromaticContact CE1-CD2 3.53Å; F778-H793 AromaticContact CE1-CG 3.8Å; F778-H793 AromaticContact CE2-CD2 3.6Å; F778-H793 HydrophobicContact CZ-CB 4.34Å; F778-H793 AromaticContact CZ-CD2 3.39Å; F778-H793 WeakPolarHBondContact CZ-CD2 3.36Å; F778-H793 AromaticContact CZ-NE2 3.97Å
779	I	98.3	Very high	92.2	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131.4	165.7	-48.3	-168.5	0	0	0	109.9	T763 V764 F777 T792 Y794 Q809 T812 Y813	T763-I779 CarbonylContact O-C 3.54Å; T763-I779 WeakPolarHBondContact O-CA 3.41Å; V764-I779 HydrophobicContact CG2-CD1 4.32Å; V764-I779 HydrophobicContact CG2-CG1 4.17Å; F777-I779 HydrophobicContact CD2-CD1 4.18Å; F777-I779 HydrophobicContact CD2-CG1 3.81Å; F777-I779 HydrophobicContact CE2-CD1 3.77Å; F777-I779 HydrophobicContact CE2-CG1 3.84Å; I779-T792 PolarHBondContact N-O 2.97Å; I779-T792 PolarHBondContact O-N 3.27Å; I779-Y794 HydrophobicContact CB-CE2 3.94Å; I779-Y794 HydrophobicContact CD1-CE2 4.39Å; I779-Y794 HydrophobicContact CG1-CD2 4.14Å; I779-Y794 HydrophobicContact CG1-CE2 3.9Å; I779-Q809 WeakPolarHBondContact CD1-O 3.43Å; I779-T812 HydrophobicContact CD1-CG2 3.92Å; I779-Y813 HydrophobicContact CG2-CD2 4.25Å
780	V	97.7	Very high	92.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	97.5	161.3	178.9	0	0	0	0	107.2	P759 P761 G762 T763 V789 P791	P759-V780 HydrophobicContact CB-CG2 4.4Å; P761-V780 CarbonylContact C-O 3.58Å; P761-V780 WeakPolarHBondContact CA-O 3.26Å; G762-V780 PolarHBondContact N-O 3.06Å; T763-V780 PolarHBondContact O-N 2.7Å; V780-V789 HydrophobicContact CG1-CB 4.4Å; V780-V789 HydrophobicContact CG1-CG1 3.81Å; V780-V789 HydrophobicContact CG1-CG2 3.71Å; V780-V789 HydrophobicContact CG2-CG1 4.5Å; V780-P791 HydrophobicContact CG2-CB 4.01Å
781	S	94.4	Very high	92.2	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	14%	0.14	C	C	.	.			trans	-99.1	-26.5	-176.8	62.9	0	0	0	0	114.5	P761 V825 I826 R827	P761-S781 WeakPolarHBondContact CB-O 3.48Å; S781-V825 WeakPolarHBondContact O-CB 3.37Å; S781-V825 WeakPolarHBondContact O-CG1 3.14Å; S781-I826 WeakPolarHBondContact CB-O 3.39Å; S781-I826 PolarHBondContact OG-O 3.39Å; S781-R827 WeakPolarHBondContact OG-CA 3.28Å; S781-R827 PolarHBondContact OG-O 3.15Å
782	Q	90.7	Very high	92.5	Very high	35 Å²	35	25.2 Å²	25.2	16%	0.164	14%	0.136	C	C	.	.	S	Bend	trans	-104.4	137.4	-174.8	-175.1	-177.6	25.7	0	0	111.8	R827	Q782-R827 HydrophobicContact CB-CB 4.32Å
783	A	89.5	Confident	92.8	Very high	29 Å²	29	23.8 Å²	23.8	24%	0.24	13%	0.126	C	C	.	.			trans	-78.6	137.7	168.4	0	0	0	0	0	111.8	Q474 A476 P761	Q474-A783 WeakPolarHBondContact O-CB 3.45Å; A476-A783 HydrophobicContact CB-CB 4.07Å; P761-A783 HydrophobicContact CG-CB 3.85Å
784	V	87.5	Confident	93.3	Very high	32 Å²	32	21.7 Å²	21.7	19%	0.194	12%	0.116	C	C	.	.			trans	-112.7	140.5	174.9	-58.5	0	0	0	0	111	Q66 N758 V789	Q66-V784 VanDerWaalsContact OE1-CG1 3.29Å; N758-V784 WeakPolarHBondContact ND2-CG2 3.3Å; V784-V789 HydrophobicContact CG1-CB 4.15Å; V784-V789 HydrophobicContact CG1-CG2 3.94Å; V784-V789 HydrophobicContact CG2-CB 3.89Å
785	R	84.3	Confident	93.4	Very high	177 Å²	177	20.8 Å²	20.8	67%	0.668	11%	0.113	S	C	*	.	S	Bend	trans	-87.4	-13.6	180	-67.9	-175.2	179.1	146.8	1.8	114.3
786	S	82.3	Confident	93.4	Very high	75 Å²	75	20.8 Å²	20.8	52%	0.524	11%	0.112	S	C	.	.	S	Bend	trans	-161	148.5	-174.6	176.1	0	0	0	0	108.9
787	G	89.1	Confident	93.3	Very high	8 Å²	8	21.1 Å²	21.1	8%	0.082	11%	0.114	C	C	.	.	S	Bend	trans	73.8	-167.4	-175.8	0	0	0	0	0	114.1	L412 N758	L412-G787 CarbonylContact O-C 3.59Å; L412-G787 VanDerWaalsContact O-CA 3.26Å; L412-G787 WeakPolarHBondContact O-CA 3.28Å; N758-G787 PolarHBondContact ND2-O 3.36Å
788	S	90.7	Very high	93.1	Very high	16 Å²	16	24.1 Å²	24.1	11%	0.112	13%	0.126	C	C	.	.			trans	-94.6	135.5	177.8	-50	0	0	0	0	111	L412 T413 R417 N758	L412-S788 PolarHBondContact O-N 3.08Å; L412-S788 PolarHBondContact O-OG 2.66Å; T413-S788 PolarHBondContact O-OG 3.36Å; R417-S788 PolarHBondContact NE-OG 3.46Å; N758-S788 WeakPolarHBondContact OD1-CA 3.43Å
789	V	92.8	Very high	92.9	Very high	8 Å²	8	24 Å²	24	5%	0.048	13%	0.126	C	C	.	.			trans	-68.9	141.1	176	68.8	0	0	0	0	111.2	N758 V780 V784	N758-V789 HydrophobicContact CB-CB 4.48Å; N758-V789 HydrophobicContact CB-CG1 4.1Å; N758-V789 PolarHBondContact OD1-N 2.86Å; V780-V789 HydrophobicContact CG1-CB 4.4Å; V780-V789 HydrophobicContact CG1-CG1 3.81Å; V780-V789 HydrophobicContact CG1-CG2 3.71Å; V780-V789 HydrophobicContact CG2-CG1 4.5Å; V784-V789 HydrophobicContact CG1-CB 4.15Å; V784-V789 HydrophobicContact CG1-CG2 3.94Å; V784-V789 HydrophobicContact CG2-CB 3.89Å
790	S	92.8	Very high	92.7	Very high	26 Å²	26	27.1 Å²	27.1	18%	0.182	14%	0.143	C	C	.	.			trans	-104.2	119.2	173.9	-63.4	0	0	0	0	109.8	R827	S790-R827 VanDerWaalsContact CB-NH2 3.25Å; S790-R827 PolarHBondContact O-NE 3.24Å; S790-R827 PolarHBondContact O-NH2 2.88Å
791	P	96.7	Very high	92.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	14%	0.143	C	C	.	.			trans	-64.4	167.7	177.7	30.4	-37	0	0	0	111.3	V744 A746 F748 F778 V780 R827	V744-P791 HydrophobicContact CG2-CG 4.02Å; A746-P791 VanDerWaalsContact O-CD 3.31Å; A746-P791 WeakPolarHBondContact O-CD 3.14Å; A746-P791 WeakPolarHBondContact O-CG 3.26Å; F748-P791 HydrophobicContact CD2-CB 3.92Å; F748-P791 HydrophobicContact CD2-CG 3.74Å; F748-P791 HydrophobicContact CE2-CB 3.91Å; F748-P791 HydrophobicContact CE2-CG 3.65Å; F778-P791 HydrophobicContact CB-CB 4.3Å; F778-P791 HydrophobicContact CD1-CB 4.23Å; F778-P791 HydrophobicContact CD1-CG 4.19Å; V780-P791 HydrophobicContact CG2-CB 4.01Å; P791-R827 PolarHBondContact O-NH2 2.85Å
792	T	97.7	Very high	92	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.4	164.5	-58.9	0	0	0	0	108.3	V740 F778 I779 Y794 R827 V828	V740-T792 HydrophobicContact CG1-CG2 3.59Å; F778-T792 CarbonylContact C-O 3.56Å; F778-T792 VanDerWaalsContact CA-O 3.28Å; F778-T792 WeakPolarHBondContact CA-O 3.41Å; I779-T792 PolarHBondContact N-O 2.97Å; I779-T792 PolarHBondContact O-N 3.27Å; T792-Y794 HydrophobicContact CG2-CD2 4.38Å; T792-Y794 HydrophobicContact CG2-CE1 3.97Å; T792-Y794 HydrophobicContact CG2-CE2 3.65Å; T792-Y794 VanDerWaalsContact CG2-CZ 3.41Å; T792-Y794 WeakPolarHBondContact CG2-OH 3.39Å; T792-Y794 WeakPolarHBondContact O-CD2 3.4Å; T792-Y794 WeakPolarHBondContact O-CE2 3.5Å; T792-R827 WeakPolarHBondContact OG1-CG 3.12Å; T792-R827 PolarHBondContact OG1-O 3.29Å; T792-V828 HydrophobicContact CG2-CG1 3.97Å
793	H	97.3	Very high	92.1	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	141	175.2	-179.2	-123.7	0	0	0	110.1	K741 V744 W774 D776 F777 F778	K741-H793 HydrophobicContact CB-CB 4.23Å; K741-H793 PolarHBondContact N-O 3.1Å; K741-H793 PolarHBondContact O-N 2.84Å; K741-H793 VanDerWaalsContact O-N 3.13Å; V744-H793 HydrophobicContact CG1-CB 3.76Å; W774-H793 AromaticContact CZ3-CE1 3.98Å; D776-H793 WeakPolarHBondContact CB-NE2 3.33Å; D776-H793 IonicContact OD2-CD2 3.14Å; D776-H793 IonicContact OD2-CE1 2.72Å; D776-H793 IonicContact OD2-NE2 3.96Å; D776-H793 PolarHBondContact OD2-NE2 2.93Å; F777-H793 PolarHBondContact O-CD2 2.67Å; F778-H793 HydrophobicContact CD1-CB 3.69Å; F778-H793 AromaticContact CD1-CD2 3.84Å; F778-H793 AromaticContact CD2-CD2 3.93Å; F778-H793 HydrophobicContact CE1-CB 3.6Å; F778-H793 AromaticContact CE1-CD2 3.53Å; F778-H793 AromaticContact CE1-CG 3.8Å; F778-H793 AromaticContact CE2-CD2 3.6Å; F778-H793 HydrophobicContact CZ-CB 4.34Å; F778-H793 AromaticContact CZ-CD2 3.39Å; F778-H793 WeakPolarHBondContact CZ-CD2 3.36Å; F778-H793 AromaticContact CZ-NE2 3.97Å
794	Y	97.6	Very high	92.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128	-179.4	-59.8	-88.7	0	0	0	107.9	I738 V739 V740 D776 F777 I779 T792 T812 P829	I738-Y794 HydrophobicContact CG2-CD1 4.22Å; V739-Y794 WeakPolarHBondContact O-CA 3.25Å; V740-Y794 HydrophobicContact CB-CD1 4.47Å; V740-Y794 HydrophobicContact CB-CE1 4.4Å; V740-Y794 HydrophobicContact CG1-CD1 4.31Å; V740-Y794 HydrophobicContact CG1-CE1 3.83Å; V740-Y794 HydrophobicContact CG2-CD1 3.93Å; V740-Y794 HydrophobicContact CG2-CE1 3.9Å; D776-Y794 CarbonylContact C-O 3.6Å; D776-Y794 WeakPolarHBondContact CA-O 3.38Å; D776-Y794 WeakPolarHBondContact CB-O 3.46Å; F777-Y794 AromaticContact CD2-CD2 3.93Å; F777-Y794 HydrophobicContact CD2-CD2 3.93Å; F777-Y794 HydrophobicContact CD2-CG 4.32Å; F777-Y794 AromaticContact CE2-CD2 3.54Å; F777-Y794 HydrophobicContact CE2-CD2 3.54Å; F777-Y794 HydrophobicContact CE2-CE2 4.41Å; F777-Y794 AromaticContact CE2-CG 3.68Å; F777-Y794 HydrophobicContact CE2-CG 3.68Å; F777-Y794 HydrophobicContact CZ-CD2 4.3Å; F777-Y794 AromaticContact CZ-CG 3.95Å; F777-Y794 HydrophobicContact CZ-CG 3.95Å; F777-Y794 PolarHBondContact N-O 2.9Å; F777-Y794 PolarHBondContact O-N 3.42Å; I779-Y794 HydrophobicContact CB-CE2 3.94Å; I779-Y794 HydrophobicContact CD1-CE2 4.39Å; I779-Y794 HydrophobicContact CG1-CD2 4.14Å; I779-Y794 HydrophobicContact CG1-CE2 3.9Å; T792-Y794 HydrophobicContact CG2-CD2 4.38Å; T792-Y794 HydrophobicContact CG2-CE1 3.97Å; T792-Y794 HydrophobicContact CG2-CE2 3.65Å; T792-Y794 VanDerWaalsContact CG2-CZ 3.41Å; T792-Y794 WeakPolarHBondContact CG2-OH 3.39Å; T792-Y794 WeakPolarHBondContact O-CD2 3.4Å; T792-Y794 WeakPolarHBondContact O-CE2 3.5Å; Y794-T812 HydrophobicContact CD1-CG2 3.77Å; Y794-T812 HydrophobicContact CD2-CG2 4.25Å; Y794-T812 HydrophobicContact CE1-CG2 3.35Å; Y794-T812 HydrophobicContact CE2-CG2 3.87Å; Y794-T812 HydrophobicContact CG-CG2 4.21Å; Y794-P829 HydrophobicContact CE1-CG 4.2Å
795	N	95.4	Very high	92.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.4	173.5	-177.7	2.3	0	0	0	108.9	T93 I738 V739 W774 Y775 D776 I797	T93-N795 PolarHBondContact OG1-OD1 2.81Å; I738-N795 CarbonylContact C-O 3.58Å; I738-N795 WeakPolarHBondContact CA-O 3.4Å; V739-N795 PolarHBondContact N-O 3.19Å; V739-N795 PolarHBondContact O-N 3.5Å; W774-N795 VanDerWaalsContact CG-ND2 3.32Å; Y775-N795 PolarHBondContact O-OD1 2.95Å; D776-N795 HydrophobicContact CB-CB 4.21Å; N795-I797 HydrophobicContact CB-CG2 4.43Å; N795-I797 PolarHBondContact O-N 2.88Å
796	V	95.4	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	110.7	172.3	-172.4	0	0	0	0	107.6	T93 T736 I738 Y775 F777 D799 I808	T93-V796 WeakPolarHBondContact CB-O 3.38Å; T93-V796 PolarHBondContact OG1-O 3.47Å; T93-V796 VanDerWaalsContact OG1-O 3.14Å; T736-V796 HydrophobicContact CG2-CG1 3.95Å; I738-V796 HydrophobicContact CD1-CG2 4.41Å; I738-V796 HydrophobicContact CG1-CG2 4.16Å; I738-V796 HydrophobicContact CG2-CG2 4.43Å; Y775-V796 HydrophobicContact CD1-CB 3.44Å; Y775-V796 VanDerWaalsContact CD1-CB 3.44Å; Y775-V796 HydrophobicContact CD1-CG1 3.79Å; Y775-V796 HydrophobicContact CD1-CG2 3.72Å; Y775-V796 HydrophobicContact CD2-CG2 4.36Å; Y775-V796 HydrophobicContact CE1-CB 3.77Å; Y775-V796 HydrophobicContact CE1-CG1 3.93Å; Y775-V796 HydrophobicContact CE1-CG2 3.55Å; Y775-V796 HydrophobicContact CE2-CG2 4.2Å; Y775-V796 HydrophobicContact CG-CB 3.88Å; Y775-V796 HydrophobicContact CG-CG2 4.08Å; Y775-V796 PolarHBondContact O-N 3.16Å; F777-V796 HydrophobicContact CE1-CG2 4.31Å; V796-D799 HydrophobicContact CG1-CB 3.98Å; V796-I808 HydrophobicContact CG2-CG2 4.32Å
797	I	93.1	Very high	94.1	Very high	9 Å²	9	24.8 Å²	24.8	5%	0.046	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-17.2	-172.1	55.5	156	0	0	0	113.4	T93 L709 L712 V713 V717 V737 V739 N795	T93-I797 HydrophobicContact CG2-CB 4.11Å; T93-I797 HydrophobicContact CG2-CG2 4.17Å; L709-I797 HydrophobicContact CD2-CG2 4.23Å; L712-I797 HydrophobicContact CD2-CD1 3.2Å; L712-I797 HydrophobicContact CG-CD1 4.42Å; V713-I797 HydrophobicContact CG2-CB 4.03Å; V713-I797 HydrophobicContact CG2-CD1 4.08Å; V717-I797 HydrophobicContact CG2-CD1 4.35Å; V737-I797 HydrophobicContact CB-CD1 4.3Å; V737-I797 HydrophobicContact CB-CG1 4.04Å; V737-I797 HydrophobicContact CG1-CD1 3.78Å; V737-I797 HydrophobicContact CG1-CG1 3.97Å; V737-I797 VanDerWaalsContact O-CG1 3.23Å; V737-I797 WeakPolarHBondContact O-CG1 3.42Å; V737-I797 PolarHBondContact O-N 2.94Å; V739-I797 HydrophobicContact CG2-CD1 3.69Å; V739-I797 HydrophobicContact CG2-CG1 4.05Å; V739-I797 HydrophobicContact CG2-CG2 3.88Å; N795-I797 HydrophobicContact CB-CG2 4.43Å; N795-I797 PolarHBondContact O-N 2.88Å
798	Y	93.9	Very high	94.5	Very high	62 Å²	62	24.4 Å²	24.4	24%	0.243	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	131.4	172.4	-179.6	-85.8	0	0	0	107.7	V717 L721 L735 T736 V737 N800	V717-Y798 HydrophobicContact CG1-CD1 4.31Å; V717-Y798 HydrophobicContact CG1-CD2 3.7Å; V717-Y798 HydrophobicContact CG1-CE2 4.22Å; V717-Y798 HydrophobicContact CG1-CG 3.75Å; L721-Y798 HydrophobicContact CD1-CE2 4.27Å; L721-Y798 HydrophobicContact CD2-CE1 4.34Å; L735-Y798 HydrophobicContact CB-CD1 4.42Å; L735-Y798 HydrophobicContact CB-CE1 4Å; L735-Y798 HydrophobicContact CD2-CD1 4.15Å; L735-Y798 HydrophobicContact CD2-CE1 4.01Å; L735-Y798 HydrophobicContact CG-CD1 4.1Å; L735-Y798 HydrophobicContact CG-CE1 4.09Å; L735-Y798 WeakPolarHBondContact O-CD1 3.21Å; L735-Y798 WeakPolarHBondContact O-CE1 3.14Å; T736-Y798 CarbonylContact C-O 3.59Å; T736-Y798 WeakPolarHBondContact CA-O 3.36Å; V737-Y798 HydrophobicContact CG2-CD1 4.49Å; V737-Y798 PolarHBondContact N-O 2.85Å; V737-Y798 PolarHBondContact O-N 2.91Å; Y798-N800 HydrophobicContact CE1-CB 4.44Å; Y798-N800 PolarHBondContact OH-ND2 2.93Å
799	D	94.4	Very high	94.8	Very high	12 Å²	12	23.7 Å²	23.7	6%	0.064	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	131	168.4	-175.2	60.7	0	0	0	110.8	L97 H99 T736 V796 S801 G802	L97-D799 HydrophobicContact CD1-CB 4.34Å; L97-D799 HydrophobicContact CD2-CB 3.94Å; L97-D799 WeakPolarHBondContact CD2-O 3.35Å; H99-D799 IonicContact CE1-OD2 2.61Å; H99-D799 PolarHBondContact CE1-OD2 3.3Å; H99-D799 IonicContact NE2-OD2 3.79Å; T736-D799 WeakPolarHBondContact CB-OD1 3.44Å; T736-D799 HydrophobicContact CG2-CB 4.21Å; T736-D799 WeakPolarHBondContact CG2-OD1 3.35Å; T736-D799 PolarHBondContact OG1-OD1 3.21Å; V796-D799 HydrophobicContact CG1-CB 3.98Å; D799-S801 VanDerWaalsContact CG-OG 3.27Å; D799-S801 WeakPolarHBondContact OD1-CB 3.47Å; D799-S801 PolarHBondContact OD1-N 3.49Å; D799-S801 PolarHBondContact OD1-OG 3.45Å; D799-S801 PolarHBondContact OD2-N 3.2Å; D799-S801 PolarHBondContact OD2-OG 3.31Å; D799-G802 PolarHBondContact OD2-N 3.09Å
800	N	93.6	Very high	95.1	Very high	65 Å²	65	27.4 Å²	27.4	35%	0.348	14%	0.139	S	C	.	.			trans	-121.5	15.8	159.5	72.6	7.4	0	0	0	111.5	R734 L735 Y798	R734-N800 WeakPolarHBondContact CA-OD1 3.34Å; R734-N800 WeakPolarHBondContact CD-O 3.28Å; L735-N800 PolarHBondContact N-OD1 3.33Å; L735-N800 PolarHBondContact O-N 3.37Å; L735-N800 VanDerWaalsContact O-N 3.07Å; L735-N800 PolarHBondContact O-OD1 2.81Å; Y798-N800 HydrophobicContact CE1-CB 4.44Å; Y798-N800 PolarHBondContact OH-ND2 2.93Å
801	S	89.9	Confident	95.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.007	13%	0.133	C	C	.	.	S	Bend	trans	-75.6	-32	179.4	80.3	0	0	0	0	113.2	R734 T736 D799 L803	R734-S801 WeakPolarHBondContact CD-O 3.49Å; R734-S801 PolarHBondContact NH1-O 3.18Å; T736-S801 WeakPolarHBondContact OG1-CB 3.43Å; T736-S801 PolarHBondContact OG1-OG 3.05Å; D799-S801 VanDerWaalsContact CG-OG 3.27Å; D799-S801 WeakPolarHBondContact OD1-CB 3.47Å; D799-S801 PolarHBondContact OD1-N 3.49Å; D799-S801 PolarHBondContact OD1-OG 3.45Å; D799-S801 PolarHBondContact OD2-N 3.2Å; D799-S801 PolarHBondContact OD2-OG 3.31Å; S801-L803 PolarHBondContact O-N 3Å; S801-L803 WeakPolarHBondContact OG-CB 3.47Å; S801-L803 WeakPolarHBondContact OG-CG 3.5Å; S801-L803 PolarHBondContact OG-N 2.69Å
802	G	86.9	Confident	95.4	Very high	46 Å²	46	26.6 Å²	26.6	47%	0.474	13%	0.133	S	C	.	.			trans	65.9	23.1	-173.8	0	0	0	0	0	112.5	D799	D799-G802 PolarHBondContact OD2-N 3.09Å
803	L	93.3	Very high	95.4	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.068	13%	0.133	C	C	.	.			trans	-72.8	126.2	175.7	-75.1	173.2	0	0	0	109.8	H99 L623 I698 S801 H807 I808	H99-L803 PolarHBondContact CD2-O 2.85Å; H99-L803 PolarHBondContact NE2-O 3.28Å; L623-L803 HydrophobicContact CD1-CD2 4.32Å; L623-L803 HydrophobicContact CD2-CD1 4.35Å; I698-L803 HydrophobicContact CD1-CD1 4.17Å; S801-L803 PolarHBondContact O-N 3Å; S801-L803 WeakPolarHBondContact OG-CB 3.47Å; S801-L803 WeakPolarHBondContact OG-CG 3.5Å; S801-L803 PolarHBondContact OG-N 2.69Å; L803-H807 HydrophobicContact CB-CB 4.36Å; L803-H807 HydrophobicContact CD2-CB 4.27Å; L803-I808 HydrophobicContact CB-CD1 3.88Å; L803-I808 HydrophobicContact CB-CG1 4Å; L803-I808 HydrophobicContact CD1-CD1 3.7Å; L803-I808 HydrophobicContact CG-CD1 4.45Å
804	K	95.6	Very high	95.5	Very high	141 Å²	141	27 Å²	27	61%	0.613	13%	0.134	S	C	*	.			trans	-51.7	146.5	174.1	-62.9	-173.4	177.7	-173.7	0	110.9	D806 H807 I808	K804-D806 PolarHBondContact O-N 2.9Å; K804-D806 VanDerWaalsContact O-N 3.09Å; K804-H807 WeakPolarHBondContact O-CB 3.46Å; K804-H807 PolarHBondContact O-N 2.9Å; K804-I808 PolarHBondContact O-N 3.02Å
805	P	96.4	Very high	95.5	Very high	12 Å²	12	27 Å²	27	8%	0.078	13%	0.134	C	C	.	.	H	α-helix	trans	-48.9	-41.7	178.9	-32	35.9	0	0	0	114.8	V100 K104 Y775 H807 I808 Q809	V100-P805 HydrophobicContact CG1-CG 3.57Å; K104-P805 WeakPolarHBondContact O-CB 3.48Å; Y775-P805 HydrophobicContact CE2-CB 4.2Å; Y775-P805 HydrophobicContact CE2-CG 4.31Å; Y775-P805 WeakPolarHBondContact OH-CA 3.43Å; P805-H807 VanDerWaalsContact C-N 3.27Å; P805-H807 PolarHBondContact O-N 2.83Å; P805-I808 PolarHBondContact O-N 3.17Å; P805-Q809 WeakPolarHBondContact O-CB 3.45Å; P805-Q809 WeakPolarHBondContact O-CG 3.37Å; P805-Q809 PolarHBondContact O-N 3.06Å
806	D	96.3	Very high	95.6	Very high	9 Å²	9	27 Å²	27	5%	0.048	14%	0.135	C	C	.	.	H	α-helix	trans	-54.9	-39.9	175.9	-164.4	74	0	0	0	113.5	S107 S108 R455 K804 R810	S107-D806 PolarHBondContact N-OD1 3.34Å; S107-D806 VanDerWaalsContact N-OD1 3.1Å; S108-D806 WeakPolarHBondContact CA-OD1 3.03Å; S108-D806 WeakPolarHBondContact CB-OD1 3.43Å; S108-D806 WeakPolarHBondContact CB-OD2 3.28Å; S108-D806 PolarHBondContact N-OD1 2.84Å; S108-D806 PolarHBondContact OG-OD1 2.91Å; S108-D806 PolarHBondContact OG-OD2 2.82Å; R455-D806 IonicContact NH1-OD1 3.83Å; K804-D806 PolarHBondContact O-N 2.9Å; K804-D806 VanDerWaalsContact O-N 3.09Å; D806-R810 VanDerWaalsContact O-CB 3.3Å; D806-R810 WeakPolarHBondContact O-CB 3.41Å; D806-R810 WeakPolarHBondContact O-CG 3.36Å; D806-R810 PolarHBondContact O-N 2.98Å; D806-R810 WeakPolarHBondContact OD2-CD 3.25Å; D806-R810 IonicContact OD2-NH1 2.8Å
807	H	96.6	Very high	95.7	Very high	80 Å²	80	27 Å²	27	37%	0.37	14%	0.135	S	C	.	.	H	α-helix	trans	-69.7	-42.7	-179.3	-59.4	172.9	0	0	0	111.3	L803 K804 P805 L811	L803-H807 HydrophobicContact CB-CB 4.36Å; L803-H807 HydrophobicContact CD2-CB 4.27Å; K804-H807 WeakPolarHBondContact O-CB 3.46Å; K804-H807 PolarHBondContact O-N 2.9Å; P805-H807 VanDerWaalsContact C-N 3.27Å; P805-H807 PolarHBondContact O-N 2.83Å; H807-L811 WeakPolarHBondContact O-CB 3.47Å; H807-L811 PolarHBondContact O-N 3.18Å
808	I	97.5	Very high	95.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-43.8	177.1	-64.3	-62.6	0	0	0	110.6	T736 I738 Y775 F777 V796 L803 K804 P805 L811 T812	T736-I808 HydrophobicContact CG2-CD1 4.31Å; I738-I808 HydrophobicContact CD1-CG2 3.71Å; Y775-I808 WeakPolarHBondContact OH-CB 3.45Å; Y775-I808 WeakPolarHBondContact OH-CG1 3.49Å; F777-I808 HydrophobicContact CE1-CG2 3.89Å; F777-I808 HydrophobicContact CZ-CG2 3.92Å; V796-I808 HydrophobicContact CG2-CG2 4.32Å; L803-I808 HydrophobicContact CB-CD1 3.88Å; L803-I808 HydrophobicContact CB-CG1 4Å; L803-I808 HydrophobicContact CD1-CD1 3.7Å; L803-I808 HydrophobicContact CG-CD1 4.45Å; K804-I808 PolarHBondContact O-N 3.02Å; P805-I808 PolarHBondContact O-N 3.17Å; I808-L811 PolarHBondContact O-N 3.09Å; I808-T812 WeakPolarHBondContact O-CB 3.31Å; I808-T812 PolarHBondContact O-N 2.95Å; I808-T812 PolarHBondContact O-OG1 3.02Å
809	Q	98.4	Very high	96	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-47.6	177.6	-68.5	165.1	4.2	0	0	111.7	V764 D766 F777 I779 P805 T812 Y813	V764-Q809 HydrophobicContact CG1-CG 4.24Å; D766-Q809 PolarHBondContact OD2-NE2 2.88Å; F777-Q809 HydrophobicContact CD1-CG 4.16Å; F777-Q809 HydrophobicContact CD2-CG 3.89Å; F777-Q809 HydrophobicContact CE1-CG 4.27Å; F777-Q809 HydrophobicContact CE2-CG 4.02Å; F777-Q809 HydrophobicContact CG-CG 3.98Å; F777-Q809 HydrophobicContact CZ-CG 4.21Å; I779-Q809 WeakPolarHBondContact CD1-O 3.43Å; P805-Q809 WeakPolarHBondContact O-CB 3.45Å; P805-Q809 WeakPolarHBondContact O-CG 3.37Å; P805-Q809 PolarHBondContact O-N 3.06Å; Q809-T812 WeakPolarHBondContact O-CB 3.29Å; Q809-T812 PolarHBondContact O-N 2.98Å; Q809-Y813 PolarHBondContact O-N 2.86Å
810	R	97.9	Very high	96.1	Very high	86 Å²	86	24.1 Å²	24.1	33%	0.325	12%	0.122	S	C	.	.	H	α-helix	trans	-66.2	-40.9	177.7	-72.1	173.9	69.4	-167.2	2.2	112.6	L457 D806 Y813 K814	L457-R810 HydrophobicContact CD1-CG 4.17Å; L457-R810 HydrophobicContact CD2-CG 3.82Å; D806-R810 VanDerWaalsContact O-CB 3.3Å; D806-R810 WeakPolarHBondContact O-CB 3.41Å; D806-R810 WeakPolarHBondContact O-CG 3.36Å; D806-R810 PolarHBondContact O-N 2.98Å; D806-R810 WeakPolarHBondContact OD2-CD 3.25Å; D806-R810 IonicContact OD2-NH1 2.8Å; R810-Y813 PolarHBondContact O-N 3.08Å; R810-K814 WeakPolarHBondContact O-CB 3.42Å; R810-K814 WeakPolarHBondContact O-CG 3.17Å; R810-K814 PolarHBondContact O-N 2.82Å
811	L	97.9	Very high	96.2	Very high	10 Å²	10	23.5 Å²	23.5	5%	0.052	12%	0.119	C	C	.	.	H	α-helix	trans	-59.5	-49.3	172.5	176.2	67	0	0	0	110.7	I621 L623 I628 I698 H807 I808 Y813 K814 L815	I621-L811 HydrophobicContact CG2-CD1 3.73Å; L623-L811 HydrophobicContact CD2-CD2 4.11Å; I628-L811 HydrophobicContact CD1-CD1 4.46Å; I628-L811 HydrophobicContact CD1-CD2 4.22Å; I698-L811 HydrophobicContact CD1-CD2 3.36Å; I698-L811 HydrophobicContact CG2-CD2 4.34Å; H807-L811 WeakPolarHBondContact O-CB 3.47Å; H807-L811 PolarHBondContact O-N 3.18Å; I808-L811 PolarHBondContact O-N 3.09Å; L811-Y813 VanDerWaalsContact C-N 3.28Å; L811-Y813 PolarHBondContact O-N 3.3Å; L811-K814 PolarHBondContact O-N 3Å; L811-L815 HydrophobicContact CD1-CD1 4.07Å; L811-L815 HydrophobicContact CD1-CD2 4.47Å; L811-L815 HydrophobicContact CD1-CG 4.1Å; L811-L815 HydrophobicContact CG-CD1 3.88Å; L811-L815 HydrophobicContact CG-CG 4.32Å; L811-L815 VanDerWaalsContact O-CG 3.25Å; L811-L815 WeakPolarHBondContact O-CG 3.43Å; L811-L815 PolarHBondContact O-N 2.95Å
812	T	98.4	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-54.8	-45.6	178.6	-57.4	0	0	0	0	110.8	Y700 F777 I779 Y794 I808 Q809 L815 C816 P829	Y700-T812 HydrophobicContact CE1-CG2 4Å; Y700-T812 PolarHBondContact OH-OG1 2.75Å; Y700-T812 VanDerWaalsContact OH-OG1 3.06Å; F777-T812 HydrophobicContact CE2-CG2 4.4Å; I779-T812 HydrophobicContact CD1-CG2 3.92Å; Y794-T812 HydrophobicContact CD1-CG2 3.77Å; Y794-T812 HydrophobicContact CD2-CG2 4.25Å; Y794-T812 HydrophobicContact CE1-CG2 3.35Å; Y794-T812 HydrophobicContact CE2-CG2 3.87Å; Y794-T812 HydrophobicContact CG-CG2 4.21Å; I808-T812 WeakPolarHBondContact O-CB 3.31Å; I808-T812 PolarHBondContact O-N 2.95Å; I808-T812 PolarHBondContact O-OG1 3.02Å; Q809-T812 WeakPolarHBondContact O-CB 3.29Å; Q809-T812 PolarHBondContact O-N 2.98Å; T812-L815 PolarHBondContact O-N 3.08Å; T812-C816 PolarHBondContact O-N 3.17Å; T812-C816 PolarHBondContact O-SG 2.67Å; T812-C816 VanDerWaalsContact O-SG 3.4Å; T812-P829 HydrophobicContact CG2-CG 4.07Å
813	Y	98.2	Very high	96.7	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-66.9	-46.1	177.1	-173.8	-127.2	0	0	0	112.7	L457 P761 G762 I779 Q809 R810 L811 L815 C816 H817 V825	L457-Y813 HydrophobicContact CB-CD1 4.06Å; L457-Y813 HydrophobicContact CB-CE1 4.36Å; L457-Y813 HydrophobicContact CD1-CD1 4.03Å; L457-Y813 HydrophobicContact CD1-CG 4.11Å; P761-Y813 VanDerWaalsContact C-OH 3.29Å; P761-Y813 PolarHBondContact O-OH 2.91Å; G762-Y813 VanDerWaalsContact CA-CZ 3.42Å; G762-Y813 PolarHBondContact N-OH 2.9Å; I779-Y813 HydrophobicContact CG2-CD2 4.25Å; Q809-Y813 PolarHBondContact O-N 2.86Å; R810-Y813 PolarHBondContact O-N 3.08Å; L811-Y813 VanDerWaalsContact C-N 3.28Å; L811-Y813 PolarHBondContact O-N 3.3Å; Y813-L815 VanDerWaalsContact C-N 3.28Å; Y813-L815 PolarHBondContact O-N 3.33Å; Y813-C816 VanDerWaalsContact O-CB 3.29Å; Y813-C816 WeakPolarHBondContact O-CB 3.25Å; Y813-C816 PolarHBondContact O-N 3.28Å; Y813-H817 AromaticContact CD1-CE1 3.93Å; Y813-H817 AromaticContact CE1-CE1 3.74Å; Y813-H817 AromaticContact CE2-CE1 3.83Å; Y813-H817 AromaticContact CZ-CE1 3.68Å; Y813-H817 PolarHBondContact O-CE1 3.03Å; Y813-H817 PolarHBondContact O-ND1 3.23Å; Y813-V825 HydrophobicContact CE2-CG1 3.99Å
814	K	98	Very high	96.7	Very high	17 Å²	17	24.2 Å²	24.2	7%	0.074	11%	0.108	C	C	.	.	H	α-helix	trans	-54.2	-43.3	174.5	-76.6	169.7	-177.7	-74.2	0	112	E460 V619 D620 I621 R810 L811 C816 H817	E460-K814 VanDerWaalsContact CD-CG 3.49Å; E460-K814 HydrophobicContact CG-CG 3.98Å; E460-K814 WeakPolarHBondContact OE1-CE 3.28Å; E460-K814 WeakPolarHBondContact OE1-CG 3.5Å; E460-K814 IonicContact OE1-NZ 2.73Å; E460-K814 PolarHBondContact OE1-NZ 3.13Å; E460-K814 IonicContact OE2-NZ 3.52Å; E460-K814 PolarHBondContact OE2-NZ 2.91Å; V619-K814 HydrophobicContact CG2-CB 4.17Å; D620-K814 PolarHBondContact O-NZ 3.25Å; I621-K814 HydrophobicContact CD1-CB 4.31Å; I621-K814 HydrophobicContact CG1-CB 4.06Å; I621-K814 HydrophobicContact CG1-CD 4.01Å; R810-K814 WeakPolarHBondContact O-CB 3.42Å; R810-K814 WeakPolarHBondContact O-CG 3.17Å; R810-K814 PolarHBondContact O-N 2.82Å; L811-K814 PolarHBondContact O-N 3Å; K814-C816 PolarHBondContact O-N 3.09Å; K814-H817 WeakPolarHBondContact O-CB 3.3Å; K814-H817 PolarHBondContact O-N 2.78Å; K814-H817 PolarHBondContact O-ND1 3.27Å
815	L	98.3	Very high	96.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.1	-19.8	178	-65.5	170	0	0	0	113.7	I621 I628 M655 Y700 L811 T812 Y813 H817 I818 P829 A830	I621-L815 HydrophobicContact CD1-CD2 4.15Å; I628-L815 HydrophobicContact CG1-CD2 4.16Å; I628-L815 HydrophobicContact CG2-CD1 3.72Å; I628-L815 HydrophobicContact CG2-CD2 4.14Å; M655-L815 HydrophobicContact SD-CD2 4.08Å; Y700-L815 HydrophobicContact CD2-CD1 4.23Å; Y700-L815 HydrophobicContact CE2-CD1 3.35Å; L811-L815 HydrophobicContact CD1-CD1 4.07Å; L811-L815 HydrophobicContact CD1-CD2 4.47Å; L811-L815 HydrophobicContact CD1-CG 4.1Å; L811-L815 HydrophobicContact CG-CD1 3.88Å; L811-L815 HydrophobicContact CG-CG 4.32Å; L811-L815 VanDerWaalsContact O-CG 3.25Å; L811-L815 WeakPolarHBondContact O-CG 3.43Å; L811-L815 PolarHBondContact O-N 2.95Å; T812-L815 PolarHBondContact O-N 3.08Å; Y813-L815 VanDerWaalsContact C-N 3.28Å; Y813-L815 PolarHBondContact O-N 3.33Å; L815-H817 PolarHBondContact O-N 2.9Å; L815-I818 HydrophobicContact CD2-CD1 3.61Å; L815-P829 HydrophobicContact CB-CB 3.84Å; L815-P829 HydrophobicContact CB-CG 4.44Å; L815-P829 HydrophobicContact CD1-CB 4.47Å; L815-A830 VanDerWaalsContact O-CB 3.29Å; L815-A830 WeakPolarHBondContact O-CB 3.47Å; L815-A830 PolarHBondContact O-N 3.03Å
816	C	97.9	Very high	96.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.3	170.9	-64.5	0	0	0	0	113.7	T812 Y813 K814 V825 I826	T812-C816 PolarHBondContact O-N 3.17Å; T812-C816 PolarHBondContact O-SG 2.67Å; T812-C816 VanDerWaalsContact O-SG 3.4Å; Y813-C816 VanDerWaalsContact O-CB 3.29Å; Y813-C816 WeakPolarHBondContact O-CB 3.25Å; Y813-C816 PolarHBondContact O-N 3.28Å; K814-C816 PolarHBondContact O-N 3.09Å; C816-V825 HydrophobicContact CB-CG1 3.63Å; C816-I826 WeakPolarHBondContact CB-O 3.27Å; C816-I826 VanDerWaalsContact O-CG1 3.28Å; C816-I826 WeakPolarHBondContact O-CG1 3.45Å; C816-I826 PolarHBondContact O-N 3.12Å
817	H	97.4	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-14.5	-178.2	-59.6	67.2	0	0	0	113.9	Y471 W478 W617 V619 Y813 K814 L815 V825	Y471-H817 AromaticContact CZ-NE2 3.85Å; Y471-H817 PolarHBondContact OH-NE2 3.35Å; W478-H817 HydrophobicContact CH2-CB 3.92Å; W478-H817 WeakPolarHBondContact CH2-O 3.34Å; W478-H817 WeakPolarHBondContact CZ2-O 3.16Å; W478-H817 AromaticContact CZ3-CD2 3.91Å; W617-H817 PolarHBondContact NE1-O 2.92Å; V619-H817 HydrophobicContact CG1-CB 3.78Å; V619-H817 HydrophobicContact CG2-CB 4.35Å; Y813-H817 AromaticContact CD1-CE1 3.93Å; Y813-H817 AromaticContact CE1-CE1 3.74Å; Y813-H817 AromaticContact CE2-CE1 3.83Å; Y813-H817 AromaticContact CZ-CE1 3.68Å; Y813-H817 PolarHBondContact O-CE1 3.03Å; Y813-H817 PolarHBondContact O-ND1 3.23Å; K814-H817 WeakPolarHBondContact O-CB 3.3Å; K814-H817 PolarHBondContact O-N 2.78Å; K814-H817 PolarHBondContact O-ND1 3.27Å; L815-H817 PolarHBondContact O-N 2.9Å; H817-V825 WeakPolarHBondContact NE2-CG2 3.19Å
818	I	96	Very high	96.7	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	7%	0.068	C	C	.	.			trans	-104.1	28	-167.6	67.2	-173.1	0	0	0	114.2	V619 M655 W658 L815 A830 Y834	V619-I818 HydrophobicContact CG2-CG2 3.71Å; M655-I818 HydrophobicContact CB-CD1 4.06Å; W658-I818 HydrophobicContact CH2-CD1 4.17Å; W658-I818 HydrophobicContact CZ2-CD1 3.85Å; W658-I818 HydrophobicContact CZ2-CG1 4.16Å; L815-I818 HydrophobicContact CD2-CD1 3.61Å; I818-A830 HydrophobicContact CB-CB 4.47Å; I818-A830 HydrophobicContact CG1-CB 3.54Å; I818-Y834 PolarHBondContact O-OH 3.24Å
819	Y	97.6	Very high	96.7	Very high	14 Å²	14	15.9 Å²	15.9	6%	0.055	7%	0.068	C	C	.	.			trans	-96.2	101.8	175.9	175.5	-105.8	0	0	0	111.8	N821 W822 I826 Q833 Y834 L861	Y819-N821 HydrophobicContact CD1-CB 4.24Å; Y819-N821 HydrophobicContact CE1-CB 3.44Å; Y819-N821 VanDerWaalsContact CE1-CB 3.44Å; Y819-N821 HydrophobicContact CE2-CB 4.2Å; Y819-N821 VanDerWaalsContact CZ-CB 3.42Å; Y819-N821 PolarHBondContact O-N 3.48Å; Y819-N821 WeakPolarHBondContact OH-CB 3.38Å; Y819-W822 HydrophobicContact CD1-CB 3.94Å; Y819-W822 HydrophobicContact CE1-CB 4.18Å; Y819-W822 PolarHBondContact O-N 3.24Å; Y819-I826 VanDerWaalsContact CB-CD1 3.49Å; Y819-I826 HydrophobicContact CD1-CD1 4.15Å; Y819-I826 HydrophobicContact CD1-CG2 3.87Å; Y819-I826 HydrophobicContact CD2-CD1 4.47Å; Y819-I826 HydrophobicContact CG-CD1 3.8Å; Y819-Q833 HydrophobicContact CD1-CG 4.37Å; Y819-Q833 HydrophobicContact CD2-CB 3.97Å; Y819-Q833 HydrophobicContact CD2-CG 3.76Å; Y819-Q833 HydrophobicContact CE1-CG 4.16Å; Y819-Q833 HydrophobicContact CE2-CB 4.13Å; Y819-Q833 HydrophobicContact CE2-CG 3.52Å; Y819-Q833 HydrophobicContact CG-CB 4.48Å; Y819-Q833 HydrophobicContact CG-CG 4.18Å; Y819-Y834 WeakPolarHBondContact CA-OH 3.36Å; Y819-Y834 AromaticContact CD2-CD1 3.81Å; Y819-Y834 HydrophobicContact CD2-CD1 3.81Å; Y819-Y834 AromaticContact CD2-CE1 3.55Å; Y819-Y834 HydrophobicContact CD2-CE1 3.55Å; Y819-Y834 HydrophobicContact CD2-CG 4.4Å; Y819-Y834 AromaticContact CD2-CZ 3.95Å; Y819-Y834 AromaticContact CE2-CD1 3.89Å; Y819-Y834 HydrophobicContact CE2-CD1 3.89Å; Y819-Y834 AromaticContact CE2-CE1 3.88Å; Y819-Y834 HydrophobicContact CE2-CE1 3.88Å; Y819-L861 HydrophobicContact CE2-CD2 4.1Å
820	Y	96.3	Very high	96.7	Very high	7 Å²	7	15.9 Å²	15.9	3%	0.027	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.4	-166.5	-68.5	-18.7	0	0	0	116.8	C610 L616 W617 T656 W822 Y834 L858	C610-Y820 VanDerWaalsContact SG-CB 3.59Å; L616-Y820 HydrophobicContact CB-CD1 3.98Å; L616-Y820 HydrophobicContact CB-CE1 4.07Å; L616-Y820 HydrophobicContact CB-CG 4.21Å; L616-Y820 HydrophobicContact CD1-CD1 4.29Å; L616-Y820 HydrophobicContact CD1-CG 3.95Å; L616-Y820 HydrophobicContact CG-CD1 4.18Å; L616-Y820 HydrophobicContact CG-CD2 4.06Å; L616-Y820 HydrophobicContact CG-CE2 4.49Å; L616-Y820 HydrophobicContact CG-CG 3.89Å; W617-Y820 HydrophobicContact CD2-CD1 4.03Å; W617-Y820 HydrophobicContact CD2-CE1 4.14Å; W617-Y820 AromaticContact CE2-CD1 3.81Å; W617-Y820 HydrophobicContact CE3-CD1 4.32Å; W617-Y820 HydrophobicContact CG-CE1 4.26Å; W617-Y820 HydrophobicContact CH2-CD1 4.2Å; W617-Y820 AromaticContact CZ2-CD1 3.92Å; W617-Y820 HydrophobicContact CZ2-CD1 3.92Å; W617-Y820 HydrophobicContact CZ3-CD1 4.4Å; W617-Y820 WeakPolarHBondContact O-CE1 3.38Å; W617-Y820 PolarHBondContact O-OH 3.46Å; T656-Y820 VanDerWaalsContact CB-OH 3.26Å; T656-Y820 WeakPolarHBondContact CB-OH 3.24Å; T656-Y820 WeakPolarHBondContact CG2-OH 3.01Å; Y820-W822 VanDerWaalsContact C-N 3.27Å; Y820-W822 PolarHBondContact O-N 2.95Å; Y820-Y834 PolarHBondContact N-OH 3.3Å; Y820-L858 HydrophobicContact CD2-CD1 3.8Å; Y820-L858 HydrophobicContact CE2-CD1 4.46Å
821	N	95	Very high	96.7	Very high	51 Å²	51	11.8 Å²	11.8	27%	0.273	5%	0.053	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.3	174.1	-110.1	6.7	0	0	0	113.4	Q607 Y819 L861	Q607-N821 PolarHBondContact NE2-ND2 2.88Å; Q607-N821 PolarHBondContact NE2-OD1 3.44Å; Y819-N821 HydrophobicContact CD1-CB 4.24Å; Y819-N821 HydrophobicContact CE1-CB 3.44Å; Y819-N821 VanDerWaalsContact CE1-CB 3.44Å; Y819-N821 HydrophobicContact CE2-CB 4.2Å; Y819-N821 VanDerWaalsContact CZ-CB 3.42Å; Y819-N821 PolarHBondContact O-N 3.48Å; Y819-N821 WeakPolarHBondContact OH-CB 3.38Å; N821-L861 HydrophobicContact CB-CD2 4.27Å; N821-L861 PolarHBondContact ND2-O 3.24Å
822	W	94.2	Very high	96.7	Very high	62 Å²	62	11.3 Å²	11.3	24%	0.235	5%	0.05	C	C	.	.	S	Bend	trans	-143.3	112.6	176.4	-178.4	-104.6	0	0	0	110.9	W617 Y819 Y820 G824 I826	W617-W822 WeakPolarHBondContact CZ2-O 3.32Å; Y819-W822 HydrophobicContact CD1-CB 3.94Å; Y819-W822 HydrophobicContact CE1-CB 4.18Å; Y819-W822 PolarHBondContact O-N 3.24Å; Y820-W822 VanDerWaalsContact C-N 3.27Å; Y820-W822 PolarHBondContact O-N 2.95Å; W822-G824 VanDerWaalsContact CD1-C 3.47Å; W822-G824 VanDerWaalsContact CD1-O 3.31Å; W822-G824 PolarHBondContact O-N 3.44Å; W822-I826 HydrophobicContact CB-CG2 4.09Å; W822-I826 HydrophobicContact CG-CG2 4.16Å
823	P	93	Very high	96.7	Very high	13 Å²	13	12.2 Å²	12.2	8%	0.084	6%	0.055	C	C	.	.	S	Bend	trans	-77	64.5	175.9	34.5	-37.9	0	0	0	111	D477 W478 S479 W617	D477-P823 WeakPolarHBondContact CA-O 3.32Å; W478-P823 HydrophobicContact CG-CB 4.41Å; W478-P823 PolarHBondContact N-O 3.28Å; W478-P823 VanDerWaalsContact NE1-CA 3.31Å; S479-P823 VanDerWaalsContact OG-CG 3.28Å; S479-P823 WeakPolarHBondContact OG-CG 3.36Å; W617-P823 HydrophobicContact CH2-CB 3.96Å; W617-P823 HydrophobicContact CZ3-CB 4.21Å
824	G	94.8	Very high	96.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-172.7	175.5	179.7	0	0	0	0	0	111	A476 W478 W822 I826	A476-G824 CarbonylContact O-C 3.55Å; A476-G824 WeakPolarHBondContact O-CA 3.39Å; W478-G824 VanDerWaalsContact CH2-CA 3.41Å; W478-G824 WeakPolarHBondContact CH2-O 3.42Å; W478-G824 VanDerWaalsContact CZ2-N 3.26Å; W478-G824 VanDerWaalsContact CZ3-CA 3.44Å; W822-G824 VanDerWaalsContact CD1-C 3.47Å; W822-G824 VanDerWaalsContact CD1-O 3.31Å; W822-G824 PolarHBondContact O-N 3.44Å; G824-I826 PolarHBondContact O-N 3.33Å
825	V	95.9	Very high	96.7	Very high	2 Å²	2	11.3 Å²	11.3	1%	0.012	5%	0.051	C	C	.	.			trans	-79	125.6	-179	-164.4	0	0	0	0	110.3	Y471 A476 W478 S781 Y813 C816 H817	Y471-V825 HydrophobicContact CE2-CG2 4.24Å; A476-V825 HydrophobicContact CB-CB 4.05Å; A476-V825 HydrophobicContact CB-CG2 3.86Å; A476-V825 PolarHBondContact O-N 2.79Å; W478-V825 HydrophobicContact CH2-CG2 4.4Å; W478-V825 HydrophobicContact CZ3-CG2 3.87Å; S781-V825 WeakPolarHBondContact O-CB 3.37Å; S781-V825 WeakPolarHBondContact O-CG1 3.14Å; Y813-V825 HydrophobicContact CE2-CG1 3.99Å; C816-V825 HydrophobicContact CB-CG1 3.63Å; H817-V825 WeakPolarHBondContact NE2-CG2 3.19Å
826	I	95.8	Very high	96.6	Very high	13 Å²	13	13.9 Å²	13.9	7%	0.067	6%	0.063	C	C	.	.			trans	-96.2	169	178.2	58.7	153.4	0	0	0	112.6	S781 C816 Y819 W822 G824 V828 Q833	S781-I826 WeakPolarHBondContact CB-O 3.39Å; S781-I826 PolarHBondContact OG-O 3.39Å; C816-I826 WeakPolarHBondContact CB-O 3.27Å; C816-I826 VanDerWaalsContact O-CG1 3.28Å; C816-I826 WeakPolarHBondContact O-CG1 3.45Å; C816-I826 PolarHBondContact O-N 3.12Å; Y819-I826 VanDerWaalsContact CB-CD1 3.49Å; Y819-I826 HydrophobicContact CD1-CD1 4.15Å; Y819-I826 HydrophobicContact CD1-CG2 3.87Å; Y819-I826 HydrophobicContact CD2-CD1 4.47Å; Y819-I826 HydrophobicContact CG-CD1 3.8Å; W822-I826 HydrophobicContact CB-CG2 4.09Å; W822-I826 HydrophobicContact CG-CG2 4.16Å; G824-I826 PolarHBondContact O-N 3.33Å; I826-V828 WeakPolarHBondContact CD1-O 3.41Å; I826-V828 VanDerWaalsContact CG1-O 3.26Å; I826-V828 WeakPolarHBondContact CG1-O 3.5Å; I826-V828 PolarHBondContact O-N 3.21Å; I826-Q833 HydrophobicContact CD1-CB 3.62Å; I826-Q833 HydrophobicContact CD1-CG 3.88Å
827	R	95	Very high	96.6	Very high	52 Å²	52	17 Å²	17	20%	0.196	8%	0.076	C	C	.	.	S	Bend	trans	-72	-22.6	-171.3	-171.3	162.1	-174.9	-130.5	-14.1	115.5	K742 S781 Q782 S790 P791 T792	K742-R827 VanDerWaalsContact O-CZ 3.23Å; K742-R827 PolarHBondContact O-NH1 3.09Å; K742-R827 PolarHBondContact O-NH2 3.16Å; S781-R827 WeakPolarHBondContact OG-CA 3.28Å; S781-R827 PolarHBondContact OG-O 3.15Å; Q782-R827 HydrophobicContact CB-CB 4.32Å; S790-R827 VanDerWaalsContact CB-NH2 3.25Å; S790-R827 PolarHBondContact O-NE 3.24Å; S790-R827 PolarHBondContact O-NH2 2.88Å; P791-R827 PolarHBondContact O-NH2 2.85Å; T792-R827 WeakPolarHBondContact OG1-CG 3.12Å; T792-R827 PolarHBondContact OG1-O 3.29Å
828	V	97	Very high	96.6	Very high	1 Å²	1	17 Å²	17	1%	0.006	8%	0.076	C	C	.	.	S	Bend	trans	-138.1	162.4	-178.8	-63.5	0	0	0	0	109.8	V740 K742 T792 I826 A830 C832 Q833	V740-V828 HydrophobicContact CG1-CB 4.32Å; V740-V828 HydrophobicContact CG1-CG1 3.82Å; K742-V828 HydrophobicContact CD-CG1 4.05Å; K742-V828 HydrophobicContact CG-CG1 3.51Å; T792-V828 HydrophobicContact CG2-CG1 3.97Å; I826-V828 WeakPolarHBondContact CD1-O 3.41Å; I826-V828 VanDerWaalsContact CG1-O 3.26Å; I826-V828 WeakPolarHBondContact CG1-O 3.5Å; I826-V828 PolarHBondContact O-N 3.21Å; V828-A830 PolarHBondContact O-N 3.01Å; V828-C832 HydrophobicContact CB-CB 4.49Å; V828-C832 HydrophobicContact CG2-CB 4.12Å; V828-Q833 HydrophobicContact CG2-CB 4.23Å
829	P	98.3	Very high	96.6	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.076	C	C	.	.			trans	-49.5	134	172.8	-31.9	39.2	0	0	0	111.9	Y700 Y794 T812 L815 P831 C832 Q833	Y700-P829 HydrophobicContact CD1-CB 4.49Å; Y700-P829 HydrophobicContact CD1-CG 3.79Å; Y700-P829 HydrophobicContact CE1-CG 3.88Å; Y700-P829 HydrophobicContact CG-CB 4.4Å; Y700-P829 HydrophobicContact CG-CG 4.19Å; Y794-P829 HydrophobicContact CE1-CG 4.2Å; T812-P829 HydrophobicContact CG2-CG 4.07Å; L815-P829 HydrophobicContact CB-CB 3.84Å; L815-P829 HydrophobicContact CB-CG 4.44Å; L815-P829 HydrophobicContact CD1-CB 4.47Å; P829-P831 VanDerWaalsContact C-N 3.29Å; P829-P831 HydrophobicContact CB-CG 3.85Å; P829-C832 WeakPolarHBondContact O-CB 3.44Å; P829-C832 PolarHBondContact O-N 3.27Å; P829-Q833 PolarHBondContact O-N 3.49Å
830	A	98.1	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-42.9	-44.7	173.3	0	0	0	0	0	114.6	L815 I818 V828 C832 Q833 Y834	L815-A830 VanDerWaalsContact O-CB 3.29Å; L815-A830 WeakPolarHBondContact O-CB 3.47Å; L815-A830 PolarHBondContact O-N 3.03Å; I818-A830 HydrophobicContact CB-CB 4.47Å; I818-A830 HydrophobicContact CG1-CB 3.54Å; V828-A830 PolarHBondContact O-N 3.01Å; A830-C832 VanDerWaalsContact C-N 3.34Å; A830-C832 PolarHBondContact O-N 3.46Å; A830-Q833 CarbonylContact O-C 3.42Å; A830-Q833 PolarHBondContact O-N 3.26Å; A830-Y834 HydrophobicContact CB-CD2 4.2Å; A830-Y834 HydrophobicContact CB-CE2 3.84Å; A830-Y834 WeakPolarHBondContact O-CB 3.44Å; A830-Y834 WeakPolarHBondContact O-CD2 3.41Å; A830-Y834 PolarHBondContact O-N 2.89Å
831	P	98	Very high	96.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-54.3	-42.7	174.9	18.8	-34.1	0	0	0	113.9	I628 W658 P829 Y834 A835	I628-P831 HydrophobicContact CG2-CB 4.44Å; I628-P831 HydrophobicContact CG2-CG 3.79Å; W658-P831 HydrophobicContact CH2-CB 4.13Å; W658-P831 HydrophobicContact CH2-CG 4.28Å; W658-P831 HydrophobicContact CZ3-CB 3.78Å; W658-P831 HydrophobicContact CZ3-CG 4.38Å; P829-P831 VanDerWaalsContact C-N 3.29Å; P829-P831 HydrophobicContact CB-CG 3.85Å; P831-Y834 PolarHBondContact O-N 2.95Å; P831-A835 WeakPolarHBondContact O-CB 3.45Å; P831-A835 PolarHBondContact O-N 2.94Å
832	C	97.9	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.8	-40.7	174.4	-63	0	0	0	0	111.8	Y700 D702 V828 P829 A830 Y834 A835 H836	Y700-C832 WeakPolarHBondContact CB-SG 3.38Å; D702-C832 HydrophobicContact CB-CB 4.39Å; V828-C832 HydrophobicContact CB-CB 4.49Å; V828-C832 HydrophobicContact CG2-CB 4.12Å; P829-C832 WeakPolarHBondContact O-CB 3.44Å; P829-C832 PolarHBondContact O-N 3.27Å; A830-C832 VanDerWaalsContact C-N 3.34Å; A830-C832 PolarHBondContact O-N 3.46Å; C832-Y834 VanDerWaalsContact C-N 3.34Å; C832-A835 PolarHBondContact O-N 2.91Å; C832-H836 WeakPolarHBondContact O-CB 3.15Å; C832-H836 PolarHBondContact O-N 3.33Å
833	Q	97.9	Very high	96.3	Very high	20 Å²	20	15.2 Å²	15.2	9%	0.093	7%	0.069	C	C	.	.	H	α-helix	trans	-69.6	-33.2	179.6	-168.1	65.8	4.6	0	0	112.3	Y819 I826 V828 P829 A830 K837	Y819-Q833 HydrophobicContact CD1-CG 4.37Å; Y819-Q833 HydrophobicContact CD2-CB 3.97Å; Y819-Q833 HydrophobicContact CD2-CG 3.76Å; Y819-Q833 HydrophobicContact CE1-CG 4.16Å; Y819-Q833 HydrophobicContact CE2-CB 4.13Å; Y819-Q833 HydrophobicContact CE2-CG 3.52Å; Y819-Q833 HydrophobicContact CG-CB 4.48Å; Y819-Q833 HydrophobicContact CG-CG 4.18Å; I826-Q833 HydrophobicContact CD1-CB 3.62Å; I826-Q833 HydrophobicContact CD1-CG 3.88Å; V828-Q833 HydrophobicContact CG2-CB 4.23Å; P829-Q833 PolarHBondContact O-N 3.49Å; A830-Q833 CarbonylContact O-C 3.42Å; A830-Q833 PolarHBondContact O-N 3.26Å; Q833-K837 WeakPolarHBondContact O-CG 3.29Å; Q833-K837 PolarHBondContact O-N 3.34Å
834	Y	98.6	Very high	96.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-67.5	-46.9	170.8	-70.7	-49.9	0	0	0	111.4	W658 I818 Y819 Y820 A830 P831 C832 H836 K837 L838 L858 Y860 L861	W658-Y834 HydrophobicContact CD2-CD2 4.04Å; W658-Y834 HydrophobicContact CD2-CE2 4.05Å; W658-Y834 AromaticContact CE2-CD2 3.94Å; W658-Y834 AromaticContact CE2-CE2 3.52Å; W658-Y834 HydrophobicContact CE3-CD2 4.47Å; W658-Y834 HydrophobicContact CG-CD2 4.41Å; W658-Y834 HydrophobicContact CG-CE2 4.34Å; W658-Y834 HydrophobicContact CZ2-CD2 4.28Å; W658-Y834 AromaticContact CZ2-CE2 3.86Å; W658-Y834 HydrophobicContact CZ2-CE2 3.86Å; W658-Y834 AromaticContact NE1-CE2 3.51Å; I818-Y834 PolarHBondContact O-OH 3.24Å; Y819-Y834 WeakPolarHBondContact CA-OH 3.36Å; Y819-Y834 AromaticContact CD2-CD1 3.81Å; Y819-Y834 HydrophobicContact CD2-CD1 3.81Å; Y819-Y834 AromaticContact CD2-CE1 3.55Å; Y819-Y834 HydrophobicContact CD2-CE1 3.55Å; Y819-Y834 HydrophobicContact CD2-CG 4.4Å; Y819-Y834 AromaticContact CD2-CZ 3.95Å; Y819-Y834 AromaticContact CE2-CD1 3.89Å; Y819-Y834 HydrophobicContact CE2-CD1 3.89Å; Y819-Y834 AromaticContact CE2-CE1 3.88Å; Y819-Y834 HydrophobicContact CE2-CE1 3.88Å; Y820-Y834 PolarHBondContact N-OH 3.3Å; A830-Y834 HydrophobicContact CB-CD2 4.2Å; A830-Y834 HydrophobicContact CB-CE2 3.84Å; A830-Y834 WeakPolarHBondContact O-CB 3.44Å; A830-Y834 WeakPolarHBondContact O-CD2 3.41Å; A830-Y834 PolarHBondContact O-N 2.89Å; P831-Y834 PolarHBondContact O-N 2.95Å; C832-Y834 VanDerWaalsContact C-N 3.34Å; Y834-H836 VanDerWaalsContact C-N 3.32Å; Y834-H836 PolarHBondContact O-N 3.19Å; Y834-K837 PolarHBondContact O-N 3.49Å; Y834-L838 WeakPolarHBondContact O-CB 3.29Å; Y834-L838 PolarHBondContact O-N 3.13Å; Y834-L858 HydrophobicContact CD1-CD2 3.83Å; Y834-L858 HydrophobicContact CE1-CD1 3.88Å; Y834-L858 HydrophobicContact CE1-CD2 3.85Å; Y834-L858 HydrophobicContact CE1-CG 4.47Å; Y834-L858 HydrophobicContact CG-CD2 4.2Å; Y834-Y860 HydrophobicContact CD1-CE2 4.11Å; Y834-Y860 HydrophobicContact CG-CE2 4.46Å; Y834-Y860 VanDerWaalsContact O-CE2 3.3Å; Y834-Y860 WeakPolarHBondContact O-CE2 3.41Å; Y834-L861 HydrophobicContact CD1-CD2 3.97Å; Y834-L861 HydrophobicContact CE1-CD1 4.28Å; Y834-L861 HydrophobicContact CE1-CD2 3.95Å
835	A	98.2	Very high	95.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-58.4	-43.1	175.1	0	0	0	0	0	112	G630 D632 V648 P831 C832 L838 A839	G630-A835 WeakPolarHBondContact O-CB 3.44Å; D632-A835 HydrophobicContact CB-CB 4.2Å; V648-A835 HydrophobicContact CB-CB 4.43Å; V648-A835 HydrophobicContact CG2-CB 4.16Å; P831-A835 WeakPolarHBondContact O-CB 3.45Å; P831-A835 PolarHBondContact O-N 2.94Å; C832-A835 PolarHBondContact O-N 2.91Å; A835-L838 PolarHBondContact O-N 2.72Å; A835-A839 WeakPolarHBondContact O-CB 3.48Å; A835-A839 PolarHBondContact O-N 3.11Å
836	H	96.4	Very high	95.8	Very high	54 Å²	54	17 Å²	17	25%	0.25	8%	0.077	C	C	.	.	H	α-helix	trans	-57.8	-49.9	172.9	-178.5	71.8	0	0	0	112.1	D632 C832 Y834 L838 A839 F840	D632-H836 HydrophobicContact CB-CB 4.31Å; D632-H836 WeakPolarHBondContact OD2-CA 3.43Å; D632-H836 WeakPolarHBondContact OD2-CB 3.32Å; D632-H836 IonicContact OD2-CE1 3Å; D632-H836 IonicContact OD2-CG 2.73Å; D632-H836 VanDerWaalsContact OD2-CG 3.31Å; D632-H836 IonicContact OD2-ND1 3.73Å; D632-H836 PolarHBondContact OD2-ND1 3.46Å; C832-H836 WeakPolarHBondContact O-CB 3.15Å; C832-H836 PolarHBondContact O-N 3.33Å; Y834-H836 VanDerWaalsContact C-N 3.32Å; Y834-H836 PolarHBondContact O-N 3.19Å; H836-L838 PolarHBondContact O-N 3.3Å; H836-A839 PolarHBondContact O-N 3.25Å; H836-F840 WeakPolarHBondContact O-CB 3.44Å; H836-F840 PolarHBondContact O-N 2.92Å
837	K	97.3	Very high	95.6	Very high	67 Å²	67	19.4 Å²	19.4	29%	0.291	9%	0.088	S	C	.	.	H	α-helix	trans	-63.1	-40.6	-179.8	-77.8	-67.2	-179.6	-169.7	0	112.7	Q833 Y834 L841 Y860	Q833-K837 WeakPolarHBondContact O-CG 3.29Å; Q833-K837 PolarHBondContact O-N 3.34Å; Y834-K837 PolarHBondContact O-N 3.49Å; K837-L841 WeakPolarHBondContact O-CB 3.4Å; K837-L841 PolarHBondContact O-N 2.94Å; K837-Y860 HydrophobicContact CB-CD2 4.01Å
838	L	97.9	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-55.3	174.2	172.6	63.9	0	0	0	111.4	V648 R661 C662 Y834 A835 H836 F840 L841 V842 Y859 Y860	V648-L838 HydrophobicContact CG2-CD2 3.92Å; R661-L838 WeakPolarHBondContact O-CD2 3.36Å; C662-L838 VanDerWaalsContact SG-CG 3.51Å; Y834-L838 WeakPolarHBondContact O-CB 3.29Å; Y834-L838 PolarHBondContact O-N 3.13Å; A835-L838 PolarHBondContact O-N 2.72Å; H836-L838 PolarHBondContact O-N 3.3Å; L838-F840 VanDerWaalsContact C-N 3.32Å; L838-F840 PolarHBondContact O-N 3.17Å; L838-L841 PolarHBondContact O-N 3.34Å; L838-V842 HydrophobicContact CD1-CG2 4.3Å; L838-V842 WeakPolarHBondContact O-CG2 3.46Å; L838-V842 PolarHBondContact O-N 3.41Å; L838-Y859 VanDerWaalsContact CD1-OH 3.23Å; L838-Y859 WeakPolarHBondContact CD1-OH 3.43Å; L838-Y860 HydrophobicContact CB-CD1 4.18Å; L838-Y860 HydrophobicContact CB-CD2 3.92Å; L838-Y860 HydrophobicContact CB-CE1 4.37Å; L838-Y860 HydrophobicContact CB-CE2 4.11Å; L838-Y860 HydrophobicContact CB-CG 3.94Å; L838-Y860 HydrophobicContact CD1-CD1 3.76Å; L838-Y860 HydrophobicContact CD1-CE1 4.28Å; L838-Y860 HydrophobicContact CD1-CG 4.08Å; L838-Y860 HydrophobicContact CG-CD1 4.46Å
839	A	95.7	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.9	-42.3	180	0	0	0	0	0	112	I644 A835 H836 G843	I644-A839 HydrophobicContact CG2-CB 4.28Å; A835-A839 WeakPolarHBondContact O-CB 3.48Å; A835-A839 PolarHBondContact O-N 3.11Å; H836-A839 PolarHBondContact O-N 3.25Å; A839-G843 PolarHBondContact O-N 3.23Å
840	F	94.3	Very high	95.1	Very high	88 Å²	88	27 Å²	27	39%	0.386	12%	0.12	S	C	.	.	H	α-helix	trans	-62.9	-49	176.2	-177.2	-89.5	0	0	0	111.9	Y634 H836 L838 V842 G843 Q844	Y634-F840 HydrophobicContact CD2-CB 4.45Å; Y634-F840 AromaticContact CD2-CD2 3.97Å; Y634-F840 HydrophobicContact CD2-CD2 3.97Å; Y634-F840 AromaticContact CE2-CD2 3.79Å; Y634-F840 HydrophobicContact CE2-CD2 3.79Å; Y634-F840 HydrophobicContact CE2-CE2 4.25Å; H836-F840 WeakPolarHBondContact O-CB 3.44Å; H836-F840 PolarHBondContact O-N 2.92Å; L838-F840 VanDerWaalsContact C-N 3.32Å; L838-F840 PolarHBondContact O-N 3.17Å; F840-V842 PolarHBondContact O-N 3.34Å; F840-G843 PolarHBondContact O-N 3.06Å; F840-Q844 HydrophobicContact CD2-CG 4.32Å; F840-Q844 HydrophobicContact CE1-CB 4.43Å; F840-Q844 HydrophobicContact CE1-CG 4.21Å; F840-Q844 HydrophobicContact CE2-CG 3.94Å; F840-Q844 HydrophobicContact CZ-CG 3.88Å; F840-Q844 VanDerWaalsContact O-CB 3.27Å; F840-Q844 WeakPolarHBondContact O-CB 3.43Å; F840-Q844 PolarHBondContact O-N 3.29Å
841	L	95.2	Very high	95	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	14%	0.136	C	C	.	.	H	α-helix	trans	-60	-46.2	179.2	176.4	63.2	0	0	0	111.4	Y568 K572 K837 L838 S845 I846	Y568-L841 HydrophobicContact CE1-CD1 4.06Å; Y568-L841 WeakPolarHBondContact OH-CD1 3.37Å; K572-L841 HydrophobicContact CD-CD1 4.4Å; K572-L841 HydrophobicContact CG-CD1 4.35Å; K837-L841 WeakPolarHBondContact O-CB 3.4Å; K837-L841 PolarHBondContact O-N 2.94Å; L838-L841 PolarHBondContact O-N 3.34Å; L841-S845 WeakPolarHBondContact O-CB 3.47Å; L841-S845 PolarHBondContact O-N 2.92Å; L841-I846 HydrophobicContact CD2-CD1 4.09Å; L841-I846 HydrophobicContact CG-CD1 3.87Å; L841-I846 HydrophobicContact CG-CG1 4.46Å; L841-I846 PolarHBondContact O-N 3.14Å
842	V	95.4	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-67.6	-41.7	-179.7	179.1	0	0	0	0	110.9	I644 F664 L838 F840 I846 H847 R848 P850	I644-V842 HydrophobicContact CD1-CB 4.49Å; I644-V842 HydrophobicContact CD1-CG1 3.96Å; I644-V842 HydrophobicContact CG2-CB 4.38Å; I644-V842 HydrophobicContact CG2-CG1 4.34Å; F664-V842 HydrophobicContact CE2-CG1 3.94Å; F664-V842 HydrophobicContact CZ-CG1 3.55Å; L838-V842 HydrophobicContact CD1-CG2 4.3Å; L838-V842 WeakPolarHBondContact O-CG2 3.46Å; L838-V842 PolarHBondContact O-N 3.41Å; F840-V842 PolarHBondContact O-N 3.34Å; V842-I846 HydrophobicContact CG2-CD1 4.06Å; V842-I846 PolarHBondContact O-N 3.27Å; V842-H847 WeakPolarHBondContact O-CA 3.17Å; V842-H847 PolarHBondContact O-N 3.28Å; V842-R848 WeakPolarHBondContact CG1-O 3.18Å; V842-P850 HydrophobicContact CG2-CG 3.49Å; V842-P850 VanDerWaalsContact CG2-CG 3.49Å
843	G	91.3	Very high	94.8	Very high	3 Å²	3	37.9 Å²	37.9	3%	0.031	18%	0.184	C	C	.	.	I	π-helix	trans	-75.9	-26.8	-178.2	0	0	0	0	0	115.6	A839 F840 H847	A839-G843 PolarHBondContact O-N 3.23Å; F840-G843 PolarHBondContact O-N 3.06Å; G843-H847 PolarHBondContact O-CE1 3.44Å; G843-H847 PolarHBondContact O-ND1 2.92Å; G843-H847 VanDerWaalsContact O-ND1 3.13Å
844	Q	88.4	Confident	94.7	Very high	44 Å²	44	37 Å²	37	21%	0.206	18%	0.179	C	C	.	.	I	π-helix	trans	-92.2	-34.1	175.8	-84.1	-73.5	-33.4	0	0	114	K565 Y634 F840 H847	K565-Q844 PolarHBondContact NZ-O 3.21Å; Y634-Q844 PolarHBondContact OH-NE2 2.95Å; F840-Q844 HydrophobicContact CD2-CG 4.32Å; F840-Q844 HydrophobicContact CE1-CB 4.43Å; F840-Q844 HydrophobicContact CE1-CG 4.21Å; F840-Q844 HydrophobicContact CE2-CG 3.94Å; F840-Q844 HydrophobicContact CZ-CG 3.88Å; F840-Q844 VanDerWaalsContact O-CB 3.27Å; F840-Q844 WeakPolarHBondContact O-CB 3.43Å; F840-Q844 PolarHBondContact O-N 3.29Å; Q844-H847 VanDerWaalsContact C-CE1 3.42Å; Q844-H847 PolarHBondContact O-CE1 3.02Å; Q844-H847 VanDerWaalsContact O-CE1 3.28Å; Q844-H847 PolarHBondContact O-NE2 3.2Å
845	S	91.4	Very high	94.7	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.049	18%	0.182	C	C	.	.	I	π-helix	trans	-127	-35.7	-163.3	-45.6	0	0	0	0	115.4	D569 L841	D569-S845 WeakPolarHBondContact OD1-CA 3.17Å; D569-S845 VanDerWaalsContact OD1-CB 3.26Å; D569-S845 WeakPolarHBondContact OD1-CB 3.16Å; D569-S845 PolarHBondContact OD1-OG 2.96Å; L841-S845 WeakPolarHBondContact O-CB 3.47Å; L841-S845 PolarHBondContact O-N 2.92Å
846	I	93.9	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-95.1	-42.9	-172.7	-58.2	168	0	0	0	111.5	K572 C576 T577 L841 V842 R848 P850	K572-I846 HydrophobicContact CB-CG1 4.48Å; C576-I846 HydrophobicContact CB-CD1 3.61Å; C576-I846 HydrophobicContact CB-CG1 4.37Å; T577-I846 HydrophobicContact CG2-CG2 3.72Å; L841-I846 HydrophobicContact CD2-CD1 4.09Å; L841-I846 HydrophobicContact CG-CD1 3.87Å; L841-I846 HydrophobicContact CG-CG1 4.46Å; L841-I846 PolarHBondContact O-N 3.14Å; V842-I846 HydrophobicContact CG2-CD1 4.06Å; V842-I846 PolarHBondContact O-N 3.27Å; I846-R848 HydrophobicContact CG2-CB 4.43Å; I846-R848 WeakPolarHBondContact CG2-O 3.37Å; I846-R848 PolarHBondContact O-N 2.84Å; I846-P850 HydrophobicContact CD1-CG 4.34Å
847	H	91.3	Very high	94.5	Very high	64 Å²	64	43.1 Å²	43.1	30%	0.296	21%	0.208	S	C	.	.			trans	56.3	15.5	-179.5	-49.2	-57.8	0	0	0	116.3	R641 V842 G843 Q844	R641-H847 PolarHBondContact NH1-CE1 3.14Å; V842-H847 WeakPolarHBondContact O-CA 3.17Å; V842-H847 PolarHBondContact O-N 3.28Å; G843-H847 PolarHBondContact O-CE1 3.44Å; G843-H847 PolarHBondContact O-ND1 2.92Å; G843-H847 VanDerWaalsContact O-ND1 3.13Å; Q844-H847 VanDerWaalsContact C-CE1 3.42Å; Q844-H847 PolarHBondContact O-CE1 3.02Å; Q844-H847 VanDerWaalsContact O-CE1 3.28Å; Q844-H847 PolarHBondContact O-NE2 3.2Å
848	R	91.4	Very high	94.5	Very high	127 Å²	127	40.3 Å²	40.3	48%	0.479	20%	0.196	S	C	.	.	S	Bend	trans	-142	155.8	177.8	178.2	175.2	177.5	-156.1	2.8	109.3	T577 D578 V842 I846 P850	T577-R848 HydrophobicContact CG2-CB 4.09Å; T577-R848 HydrophobicContact CG2-CG 3.97Å; D578-R848 IonicContact OD1-CZ 2.76Å; D578-R848 IonicContact OD1-NH1 3.03Å; D578-R848 PolarHBondContact OD1-NH1 3.21Å; D578-R848 IonicContact OD1-NH2 3.32Å; D578-R848 IonicContact OD2-NH1 3.07Å; V842-R848 WeakPolarHBondContact CG1-O 3.18Å; I846-R848 HydrophobicContact CG2-CB 4.43Å; I846-R848 WeakPolarHBondContact CG2-O 3.37Å; I846-R848 PolarHBondContact O-N 2.84Å; R848-P850 WeakPolarHBondContact O-CD 3.43Å
849	E	91.9	Very high	94.5	Very high	77 Å²	77	40.6 Å²	40.6	36%	0.36	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-61.4	123.8	175.6	-167.4	175.9	-176.6	0	0	109.7	R661 F664	R661-E849 IonicContact CZ-OE1 2.86Å; R661-E849 VanDerWaalsContact CZ-OE1 3.27Å; R661-E849 IonicContact NE-OE1 3.23Å; R661-E849 PolarHBondContact NE-OE1 2.84Å; R661-E849 IonicContact NH2-OE1 3.33Å; R661-E849 PolarHBondContact NH2-OE1 2.88Å; R661-E849 IonicContact NH2-OE2 2.79Å; F664-E849 HydrophobicContact CE2-CB 4.17Å; F664-E849 VanDerWaalsContact CE2-N 3.35Å
850	P	96.5	Very high	94.6	Very high	8 Å²	8	40.9 Å²	40.9	5%	0.052	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-64	154	174.9	-24.8	37.4	0	0	0	112.1	C576 V842 I846 R848 Y859	C576-P850 HydrophobicContact CB-CB 4.45Å; C576-P850 CarbonylContact O-C 3.48Å; C576-P850 WeakPolarHBondContact O-CA 3.47Å; V842-P850 HydrophobicContact CG2-CG 3.49Å; V842-P850 VanDerWaalsContact CG2-CG 3.49Å; I846-P850 HydrophobicContact CD1-CG 4.34Å; R848-P850 WeakPolarHBondContact O-CD 3.43Å; P850-Y859 HydrophobicContact CB-CE2 4.15Å; P850-Y859 WeakPolarHBondContact CB-OH 3.24Å; P850-Y859 HydrophobicContact CG-CE2 4.41Å; P850-Y859 VanDerWaalsContact CG-OH 3.29Å; P850-Y859 WeakPolarHBondContact CG-OH 3.24Å
851	N	96.9	Very high	94.7	Very high	62 Å²	62	37.7 Å²	37.7	33%	0.332	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-64.7	134.3	-179	-162.7	-58.1	0	0	0	111.7	C576 T577 P580 S853 L854	C576-N851 PolarHBondContact O-N 2.92Å; T577-N851 PolarHBondContact O-ND2 3.37Å; P580-N851 HydrophobicContact CB-CB 3.59Å; P580-N851 HydrophobicContact CG-CB 4.21Å; N851-S853 PolarHBondContact O-N 3.41Å; N851-S853 VanDerWaalsContact O-N 3.16Å; N851-S853 PolarHBondContact OD1-N 3.02Å; N851-S853 VanDerWaalsContact OD1-N 3.16Å; N851-S853 PolarHBondContact OD1-OG 2.86Å; N851-L854 PolarHBondContact O-N 3.19Å; N851-L854 VanDerWaalsContact O-N 3.08Å
852	L	95.6	Very high	94.6	Very high	98 Å²	98	39.2 Å²	39.2	51%	0.513	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-63.7	-20.3	-175.8	-60.9	177.4	0	0	0	113.7	L854 S855	L852-L854 PolarHBondContact O-N 2.8Å; L852-S855 VanDerWaalsContact O-CB 3.28Å; L852-S855 WeakPolarHBondContact O-CB 3.46Å; L852-S855 PolarHBondContact O-N 3.3Å; L852-S855 PolarHBondContact O-OG 3.4Å
853	S	95.2	Very high	94.6	Very high	69 Å²	69	41.3 Å²	41.3	48%	0.483	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-63	-22.2	174	66.5	0	0	0	0	113.3	P580 N851	P580-S853 WeakPolarHBondContact CB-OG 3.47Å; N851-S853 PolarHBondContact O-N 3.41Å; N851-S853 VanDerWaalsContact O-N 3.16Å; N851-S853 PolarHBondContact OD1-N 3.02Å; N851-S853 VanDerWaalsContact OD1-N 3.16Å; N851-S853 PolarHBondContact OD1-OG 2.86Å
854	L	96.6	Very high	94.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-86.9	-11.4	175.7	-62.2	176.2	0	0	0	113.2	C576 P580 P582 N851 L852 N856 R857 Y859	C576-L854 HydrophobicContact CB-CD1 4.4Å; P580-L854 HydrophobicContact CB-CD1 4.18Å; P580-L854 HydrophobicContact CB-CG 4.1Å; P582-L854 HydrophobicContact CG-CD2 4.31Å; N851-L854 PolarHBondContact O-N 3.19Å; N851-L854 VanDerWaalsContact O-N 3.08Å; L852-L854 PolarHBondContact O-N 2.8Å; L854-N856 VanDerWaalsContact C-N 3.27Å; L854-N856 PolarHBondContact O-N 2.83Å; L854-N856 VanDerWaalsContact O-N 3.13Å; L854-R857 WeakPolarHBondContact O-CB 3.45Å; L854-R857 PolarHBondContact O-N 3.38Å; L854-Y859 HydrophobicContact CB-CD1 3.58Å; L854-Y859 HydrophobicContact CB-CE1 3.83Å; L854-Y859 HydrophobicContact CB-CG 3.96Å; L854-Y859 HydrophobicContact CD1-CD2 4.11Å; L854-Y859 HydrophobicContact CD1-CE2 4.45Å; L854-Y859 HydrophobicContact CD1-CG 4.2Å; L854-Y859 VanDerWaalsContact O-CD1 3.3Å; L854-Y859 WeakPolarHBondContact O-CD1 3.16Å
855	S	97.1	Very high	95.2	Very high	7 Å²	7	43.4 Å²	43.4	5%	0.049	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.8	-170.3	-78.2	0	0	0	0	114.4	F659 S660 L852 R857	F659-S855 CarbonylContact C-O 3.55Å; F659-S855 WeakPolarHBondContact CA-O 3.29Å; S660-S855 PolarHBondContact N-O 3.4Å; S660-S855 WeakPolarHBondContact O-CB 3.44Å; S660-S855 PolarHBondContact O-OG 2.86Å; S660-S855 PolarHBondContact OG-O 3.29Å; L852-S855 VanDerWaalsContact O-CB 3.28Å; L852-S855 WeakPolarHBondContact O-CB 3.46Å; L852-S855 PolarHBondContact O-N 3.3Å; L852-S855 PolarHBondContact O-OG 3.4Å; S855-R857 PolarHBondContact O-N 3.12Å
856	N	96.5	Very high	95.4	Very high	85 Å²	85	45.6 Å²	45.6	46%	0.455	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	18.5	179.2	-69.5	-21.5	0	0	0	114	W658 F659 L854	W658-N856 CarbonylContact O-C 3.49Å; F659-N856 WeakPolarHBondContact CD2-OD1 3.4Å; L854-N856 VanDerWaalsContact C-N 3.27Å; L854-N856 PolarHBondContact O-N 2.83Å; L854-N856 VanDerWaalsContact O-N 3.13Å
857	R	95.1	Very high	95.5	Very high	92 Å²	92	48.7 Å²	48.7	35%	0.347	24%	0.238	S	C	.	.	S	Bend	trans	-132.8	151.1	-177.3	-58.1	179.9	-175.4	174.9	2	110.8	K611 L854 S855 Y859	K611-R857 WeakPolarHBondContact O-CD 3.3Å; L854-R857 WeakPolarHBondContact O-CB 3.45Å; L854-R857 PolarHBondContact O-N 3.38Å; S855-R857 PolarHBondContact O-N 3.12Å; R857-Y859 WeakPolarHBondContact O-CD1 3.42Å; R857-Y859 PolarHBondContact O-N 2.94Å
858	L	97.6	Very high	95.8	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.042	23%	0.234	C	C	.	.			trans	-82.3	48.4	172.9	-63.7	175.4	0	0	0	111.3	C610 K611 W658 Y820 Y834 Y860 L861	C610-L858 HydrophobicContact CB-CB 4.19Å; C610-L858 HydrophobicContact CB-CD1 4.21Å; C610-L858 PolarHBondContact O-N 2.89Å; K611-L858 WeakPolarHBondContact CG-O 3.38Å; W658-L858 HydrophobicContact CB-CD2 3.84Å; W658-L858 HydrophobicContact CG-CD2 3.98Å; Y820-L858 HydrophobicContact CD2-CD1 3.8Å; Y820-L858 HydrophobicContact CE2-CD1 4.46Å; Y834-L858 HydrophobicContact CD1-CD2 3.83Å; Y834-L858 HydrophobicContact CE1-CD1 3.88Å; Y834-L858 HydrophobicContact CE1-CD2 3.85Å; Y834-L858 HydrophobicContact CE1-CG 4.47Å; Y834-L858 HydrophobicContact CG-CD2 4.2Å; L858-Y860 HydrophobicContact CD2-CE1 4.44Å; L858-Y860 HydrophobicContact CD2-CE2 4.26Å; L858-Y860 WeakPolarHBondContact CD2-OH 3.3Å; L858-Y860 PolarHBondContact O-N 3.19Å; L858-Y860 VanDerWaalsContact O-N 3.15Å; L858-L861 HydrophobicContact CB-CD1 3.8Å; L858-L861 HydrophobicContact CB-CG 4.05Å; L858-L861 HydrophobicContact CD1-CD1 4.09Å; L858-L861 PolarHBondContact O-N 3.07Å
859	Y	97.6	Very high	96.1	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.02	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.7	-172.8	69.5	-88.5	0	0	0	113.8	L838 P850 L854 R857	L838-Y859 VanDerWaalsContact CD1-OH 3.23Å; L838-Y859 WeakPolarHBondContact CD1-OH 3.43Å; P850-Y859 HydrophobicContact CB-CE2 4.15Å; P850-Y859 WeakPolarHBondContact CB-OH 3.24Å; P850-Y859 HydrophobicContact CG-CE2 4.41Å; P850-Y859 VanDerWaalsContact CG-OH 3.29Å; P850-Y859 WeakPolarHBondContact CG-OH 3.24Å; L854-Y859 HydrophobicContact CB-CD1 3.58Å; L854-Y859 HydrophobicContact CB-CE1 3.83Å; L854-Y859 HydrophobicContact CB-CG 3.96Å; L854-Y859 HydrophobicContact CD1-CD2 4.11Å; L854-Y859 HydrophobicContact CD1-CE2 4.45Å; L854-Y859 HydrophobicContact CD1-CG 4.2Å; L854-Y859 VanDerWaalsContact O-CD1 3.3Å; L854-Y859 WeakPolarHBondContact O-CD1 3.16Å; R857-Y859 WeakPolarHBondContact O-CD1 3.42Å; R857-Y859 PolarHBondContact O-N 2.94Å
860	Y	97.1	Very high	96.5	Very high	6 Å²	6	38.5 Å²	38.5	2%	0.024	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	5.1	-174.8	50	-94.2	0	0	0	115.3	Y834 K837 L838 L858	Y834-Y860 HydrophobicContact CD1-CE2 4.11Å; Y834-Y860 HydrophobicContact CG-CE2 4.46Å; Y834-Y860 VanDerWaalsContact O-CE2 3.3Å; Y834-Y860 WeakPolarHBondContact O-CE2 3.41Å; K837-Y860 HydrophobicContact CB-CD2 4.01Å; L838-Y860 HydrophobicContact CB-CD1 4.18Å; L838-Y860 HydrophobicContact CB-CD2 3.92Å; L838-Y860 HydrophobicContact CB-CE1 4.37Å; L838-Y860 HydrophobicContact CB-CE2 4.11Å; L838-Y860 HydrophobicContact CB-CG 3.94Å; L838-Y860 HydrophobicContact CD1-CD1 3.76Å; L838-Y860 HydrophobicContact CD1-CE1 4.28Å; L838-Y860 HydrophobicContact CD1-CG 4.08Å; L838-Y860 HydrophobicContact CG-CD1 4.46Å; L858-Y860 HydrophobicContact CD2-CE1 4.44Å; L858-Y860 HydrophobicContact CD2-CE2 4.26Å; L858-Y860 WeakPolarHBondContact CD2-OH 3.3Å; L858-Y860 PolarHBondContact O-N 3.19Å; L858-Y860 VanDerWaalsContact O-N 3.15Å
861	L	96.1	Very high	96.5	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	22%	0.216	C	C	.	.			trans	-73.9	0	176.3	-69.4	-175.3	0	0	0	114.9	Q607 C610 K611 Y819 N821 Y834 L858	Q607-L861 HydrophobicContact CG-CB 4.18Å; Q607-L861 PolarHBondContact NE2-O 3.4Å; C610-L861 HydrophobicContact CB-CD1 3.94Å; K611-L861 WeakPolarHBondContact CE-OXT 3.35Å; K611-L861 PolarHBondContact NZ-OXT 3.03Å; Y819-L861 HydrophobicContact CE2-CD2 4.1Å; N821-L861 HydrophobicContact CB-CD2 4.27Å; N821-L861 PolarHBondContact ND2-O 3.24Å; Y834-L861 HydrophobicContact CD1-CD2 3.97Å; Y834-L861 HydrophobicContact CE1-CD1 4.28Å; Y834-L861 HydrophobicContact CE1-CD2 3.95Å; L858-L861 HydrophobicContact CB-CD1 3.8Å; L858-L861 HydrophobicContact CB-CG 4.05Å; L858-L861 HydrophobicContact CD1-CD1 4.09Å; L858-L861 PolarHBondContact O-N 3.07Å

Retrieved 861 of 861 residues in 3508 ms (Link to these results)

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