A0A087XEQ9_POEFO Loading...

Aspartyl-tRNA synthetase 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XEQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 656 aa.

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(Predicted Aligned Error values between residue pairs)

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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	29.9	Very low	29.4	Very low	248 Å²	248	164.3 Å²	164.3	100%	1.222	81%	0.814	S	S	*	*				0	176	0	-74.1	178.1	171.3	0	0	109.1
2	A	29.5	Very low	29.3	Very low	92 Å²	92	160.5 Å²	160.5	76%	0.76	81%	0.807	S	S	*	*			trans	-69	169.6	-179	0	0	0	0	0	112
3	T	30.4	Very low	29.2	Very low	126 Å²	126	159.5 Å²	159.5	77%	0.773	80%	0.804	S	S	*	*			cis	-156.9	142.5	40.6	-57.8	0	0	0	0	116.3
4	K	31.9	Very low	29.1	Very low	178 Å²	178	158.4 Å²	158.4	77%	0.774	81%	0.809	S	S	*	*			trans	-13.9	141.6	161.8	-51.5	161.4	-176.9	170	0	120.1
5	C	29.9	Very low	28.9	Very low	125 Å²	125	152.6 Å²	152.6	85%	0.845	81%	0.805	S	S	*	*				171.3	166.3	107.7	-92.3	0	0	0	0	113.1
6	R	32.2	Very low	28.8	Very low	205 Å²	205	153 Å²	153	77%	0.774	81%	0.807	S	S	*	*				-172.9	117.8	-64.6	-116	-158.1	167.8	-165.4	-2.8	111.4
7	F	30.5	Very low	28.7	Very low	154 Å²	154	157.6 Å²	157.6	68%	0.675	81%	0.81	S	S	*	*			trans	58.2	163.9	158.5	-66.7	-87	0	0	0	119.8	L9	F7-L9 HydrophobicContact CD1-CD1 4.2Å; F7-L9 HydrophobicContact CE1-CD1 4.18Å
8	L	26.2	Very low	28.8	Very low	160 Å²	160	154.3 Å²	154.3	84%	0.838	81%	0.81	S	S	*	*			cis	-124.1	165.6	-6.7	-71.7	83.4	0	0	0	109.1
9	L	26.5	Very low	28.7	Very low	119 Å²	119	159.1 Å²	159.1	62%	0.623	82%	0.817	S	S	*	*			cis	103.4	79.4	3.3	-148.7	176.9	0	0	0	118.4	F7	F7-L9 HydrophobicContact CD1-CD1 4.2Å; F7-L9 HydrophobicContact CE1-CD1 4.18Å
10	Q	26.3	Very low	28.6	Very low	184 Å²	184	155.8 Å²	155.8	86%	0.86	81%	0.814	S	S	*	*			trans	-157.7	153.9	153.7	-100.6	177.5	-4.1	0	0	108.7
11	R	30.1	Very low	28.5	Very low	216 Å²	216	154.1 Å²	154.1	82%	0.815	81%	0.81	S	S	*	*			cis	93.2	131.9	6	-69.1	-167.3	168.6	-159.4	-3.9	118.4
12	V	27.9	Very low	28.4	Very low	119 Å²	119	152.7 Å²	152.7	72%	0.721	79%	0.791	S	S	*	*			cis	-168.9	160.8	-14.3	85.8	0	0	0	0	113.9
13	L	28.5	Very low	28.2	Very low	148 Å²	148	157.3 Å²	157.3	78%	0.775	80%	0.797	S	S	*	*			trans	64.3	126.7	157.8	-75.6	171.3	0	0	0	124
14	T	27.7	Very low	28	Very low	143 Å²	143	159.3 Å²	159.3	88%	0.877	80%	0.797	S	S	*	*				146.9	144.2	125.5	47.3	0	0	0	0	111.4
15	G	26.6	Very low	27.8	Very low	72 Å²	72	160.1 Å²	160.1	74%	0.742	80%	0.804	S	S	*	*			cis	-168.9	149.9	-7.7	0	0	0	0	0	114.9
16	L	26.6	Very low	27.7	Very low	159 Å²	159	159.3 Å²	159.3	83%	0.832	81%	0.806	S	S	*	*			trans	30.5	112.3	156.3	-71.2	163.9	0	0	0	123.6
17	R	27.4	Very low	27.5	Very low	231 Å²	231	155.8 Å²	155.8	87%	0.872	81%	0.812	S	S	*	*				38.3	108.3	124.9	-70.4	-176.6	172.1	178.1	-2.9	120.8
18	A	30.7	Very low	27.3	Very low	98 Å²	98	152.2 Å²	152.2	81%	0.81	82%	0.82	S	S	*	*				18.4	134.1	123.8	0	0	0	0	0	121.4
19	R	25.7	Very low	27.5	Very low	246 Å²	246	156.9 Å²	156.9	93%	0.928	83%	0.826	S	S	*	*			trans	-153.8	136.5	143.7	-111.9	173.8	-176.1	-180	0.1	111
20	A	27.9	Very low	27.6	Very low	93 Å²	93	155 Å²	155	77%	0.769	84%	0.835	S	S	*	*			trans	-84.5	157.1	154.9	0	0	0	0	0	109
21	V	27.2	Very low	27.9	Very low	120 Å²	120	155.6 Å²	155.6	73%	0.727	84%	0.837	S	S	*	*			trans	-168.2	116.1	156.2	132.8	0	0	0	0	112.4
22	W	26.5	Very low	27.8	Very low	218 Å²	218	153.8 Å²	153.8	83%	0.826	84%	0.843	S	S	*	*			trans	70.1	137.1	139.9	-64.2	29.6	0	0	0	122.9
23	H	24.8	Very low	28.1	Very low	189 Å²	189	152.8 Å²	152.8	88%	0.875	85%	0.847	S	S	*	*			trans	-82.2	151.1	153	-91.9	-83.8	0	0	0	110.7
24	H	26.7	Very low	28	Very low	169 Å²	169	151.5 Å²	151.5	78%	0.782	85%	0.849	S	S	*	*			trans	-131.9	144.1	157.2	-111.5	-69.9	0	0	0	110
25	Q	27.8	Very low	28.1	Very low	195 Å²	195	156.4 Å²	156.4	91%	0.911	85%	0.851	S	S	*	*			trans	-84.4	141.9	168.2	-67.4	175.2	-54.1	0	0	110.6
26	A	27	Very low	28.3	Very low	108 Å²	108	158.3 Å²	158.3	89%	0.893	85%	0.849	S	S	*	*			trans	-150.3	153.9	157.5	0	0	0	0	0	109.4
27	S	28.6	Very low	28.4	Very low	130 Å²	130	157 Å²	157	91%	0.909	85%	0.849	S	S	*	*			trans	-104.6	158	-172.7	54.2	0	0	0	0	112.9
28	G	26.4	Very low	28.6	Very low	80 Å²	80	152 Å²	152	83%	0.825	85%	0.845	S	S	*	*			trans	-179.9	127.9	171.5	0	0	0	0	0	113.4
29	R	30.6	Very low	28.6	Very low	258 Å²	258	158.4 Å²	158.4	97%	0.974	85%	0.848	S	S	*	*			trans	-94.1	144.3	167.8	-76.7	180	170.7	-179.9	-3.2	109.6
30	G	27.8	Very low	28.7	Very low	78 Å²	78	156 Å²	156	80%	0.804	85%	0.847	S	S	*	*			trans	-175	114.1	166.9	0	0	0	0	0	112.5
31	H	33	Very low	28.9	Very low	197 Å²	197	159.3 Å²	159.3	91%	0.912	85%	0.851	S	S	*	*			trans	-84.9	138.2	165	-78.4	-55.4	0	0	0	109.7
32	L	29.3	Very low	29.1	Very low	179 Å²	179	159 Å²	159	94%	0.937	86%	0.855	S	S	*	*			trans	-156.8	139.9	144.7	-110.7	161.5	0	0	0	108.7
33	A	33.1	Very low	29.5	Very low	97 Å²	97	153.1 Å²	153.1	80%	0.802	85%	0.846	S	S	*	*			trans	-100.5	136	-173.8	0	0	0	0	0	111.2
34	C	27.5	Very low	30.2	Very low	121 Å²	121	149.5 Å²	149.5	82%	0.818	84%	0.842	S	S	*	*			trans	-134.7	119.8	161	-168.9	0	0	0	0	108.6
35	R	29.3	Very low	30.7	Very low	246 Å²	246	147.9 Å²	147.9	93%	0.928	84%	0.839	S	S	*	*			trans	-95.8	116.1	177.6	-80.2	-179.9	168.3	178.5	-3.9	109.5
36	T	30.7	Very low	31.3	Very low	112 Å²	112	149.3 Å²	149.3	69%	0.687	84%	0.837	S	S	*	*			trans	-108.4	133.8	161.7	45.9	0	0	0	0	109.7	V38	T36-V38 PolarHBondContact O-N 3.21Å; T36-V38 VanDerWaalsContact O-N 3.1Å
37	P	29.6	Very low	32	Very low	131 Å²	131	152 Å²	152	85%	0.851	84%	0.835	S	S	*	*			trans	-82.4	90.7	-175.4	32.1	-34.2	0	0	0	111.2	R39	P37-R39 PolarHBondContact O-N 2.8Å
38	V	29.6	Very low	32.6	Very low	128 Å²	128	154.1 Å²	154.1	78%	0.776	83%	0.83	S	S	*	*			trans	-67.9	118.1	167	-179.5	0	0	0	0	108.6	T36 Q40	T36-V38 PolarHBondContact O-N 3.21Å; T36-V38 VanDerWaalsContact O-N 3.1Å; V38-Q40 PolarHBondContact O-N 2.95Å; V38-Q40 VanDerWaalsContact O-N 3.13Å
39	R	31.6	Very low	33.3	Very low	232 Å²	232	156.2 Å²	156.2	88%	0.875	83%	0.827	S	S	*	*			trans	-58.6	115.3	171.2	-84.2	179.8	165.1	177.2	-5.2	109.4	P37 L41	P37-R39 PolarHBondContact O-N 2.8Å; R39-L41 PolarHBondContact O-N 3.17Å
40	Q	27.8	Very low	34.1	Very low	195 Å²	195	149.3 Å²	149.3	91%	0.911	82%	0.816	S	S	*	*			trans	-68.6	99.5	165.4	-76	-176.8	-44.1	0	0	109.2	V38 S42	V38-Q40 PolarHBondContact O-N 2.95Å; V38-Q40 VanDerWaalsContact O-N 3.13Å; Q40-S42 PolarHBondContact O-N 3.37Å
41	L	31.9	Very low	35.3	Very low	162 Å²	162	151 Å²	151	85%	0.848	81%	0.813	S	S	*	*			trans	-70.8	109.4	156.1	-82.5	163.8	0	0	0	107.2	R39 S43	R39-L41 PolarHBondContact O-N 3.17Å; L41-S43 VanDerWaalsContact C-N 3.25Å; L41-S43 PolarHBondContact O-N 3.06Å
42	S	31.9	Very low	36.4	Very low	115 Å²	115	146.8 Å²	146.8	80%	0.804	81%	0.805	S	S	*	*			trans	-74.9	76.4	177.8	58	0	0	0	0	110.6	Q40 S44	Q40-S42 PolarHBondContact O-N 3.37Å; S42-S44 PolarHBondContact O-N 3.38Å
43	S	34.4	Very low	37.8	Very low	93 Å²	93	142.7 Å²	142.7	65%	0.65	80%	0.797	S	S	*	*			trans	-66.3	97.6	165	42.8	0	0	0	0	108.7	L41 N45	L41-S43 VanDerWaalsContact C-N 3.25Å; L41-S43 PolarHBondContact O-N 3.06Å; S43-N45 PolarHBondContact O-N 3.3Å
44	S	39.6	Very low	39.4	Very low	113 Å²	113	142.8 Å²	142.8	79%	0.79	79%	0.788	S	S	*	*			trans	-73.2	61	173.5	62.9	0	0	0	0	110.7	S42 R46	S42-S44 PolarHBondContact O-N 3.38Å; S44-R46 VanDerWaalsContact C-N 3.31Å; S44-R46 PolarHBondContact O-N 2.73Å
45	N	37.5	Very low	41.9	Very low	135 Å²	135	143.6 Å²	143.6	72%	0.722	79%	0.79	S	S	*	*			trans	-62.5	97.1	167.6	-80.5	5.6	0	0	0	107.3	S43 L47	S43-N45 PolarHBondContact O-N 3.3Å; N45-L47 VanDerWaalsContact C-N 3.32Å; N45-L47 PolarHBondContact O-N 3.49Å
46	R	40.1	Very low	44.6	Very low	226 Å²	226	134 Å²	134	85%	0.853	77%	0.766	S	S	*	*			trans	-58.6	105.1	157.9	-67.1	-172.8	-176.1	-157.2	2	105.6	S44 H48	S44-R46 VanDerWaalsContact C-N 3.31Å; S44-R46 PolarHBondContact O-N 2.73Å; R46-H48 VanDerWaalsContact C-N 3.29Å; R46-H48 PolarHBondContact O-N 2.75Å
47	L	40.9	Very low	47.3	Very low	165 Å²	165	132.2 Å²	132.2	86%	0.864	76%	0.757	S	S	*	*			trans	-58.5	102.3	165	-77.5	164.8	0	0	0	105.9	N45 T49	N45-L47 VanDerWaalsContact C-N 3.32Å; N45-L47 PolarHBondContact O-N 3.49Å; L47-T49 VanDerWaalsContact C-N 3.28Å; L47-T49 PolarHBondContact O-N 3.42Å
48	H	42.1	Very low	50.2	Low	174 Å²	174	126.7 Å²	126.7	81%	0.806	72%	0.722	S	S	*	*			trans	-62.5	99.6	165.3	-83.4	-91.1	0	0	0	106.1	R46 P50	R46-H48 VanDerWaalsContact C-N 3.29Å; R46-H48 PolarHBondContact O-N 2.75Å; H48-P50 WeakPolarHBondContact O-CD 3.12Å; H48-P50 VanDerWaalsContact O-N 3.14Å
49	T	41.8	Very low	53.1	Low	123 Å²	123	122.5 Å²	122.5	76%	0.755	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-49.8	121.1	156.4	34.5	0	0	0	0	106.2	L47	L47-T49 VanDerWaalsContact C-N 3.28Å; L47-T49 PolarHBondContact O-N 3.42Å
50	P	46	Very low	55.9	Low	113 Å²	113	120.2 Å²	120.2	73%	0.734	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-56.6	138.5	176.8	24.6	-33	0	0	0	107.6	H48 S52	H48-P50 WeakPolarHBondContact O-CD 3.12Å; H48-P50 VanDerWaalsContact O-N 3.14Å; P50-S52 PolarHBondContact O-N 3.08Å
51	P	54.3	Low	58.8	Low	115 Å²	115	113.7 Å²	113.7	75%	0.747	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-54.2	141.5	171.6	25.4	-33.4	0	0	0	108.3	A53	P51-A53 PolarHBondContact O-N 2.82Å; P51-A53 VanDerWaalsContact O-N 3.08Å
52	S	56.4	Low	61.6	Low	107 Å²	107	112.6 Å²	112.6	75%	0.748	67%	0.666	S	S	*	*			trans	-45.1	120.5	176.3	50.2	0	0	0	0	109.2	P50 T54	P50-S52 PolarHBondContact O-N 3.08Å; S52-T54 PolarHBondContact O-N 2.87Å
53	A	57.6	Low	64.5	Low	94 Å²	94	109.6 Å²	109.6	78%	0.777	64%	0.638	S	S	*	*			trans	-53.8	104.5	-166.8	0	0	0	0	0	110.7	P51 T55	P51-A53 PolarHBondContact O-N 2.82Å; P51-A53 VanDerWaalsContact O-N 3.08Å; A53-T55 PolarHBondContact O-N 3.34Å
54	T	67.3	Low	67.4	Low	99 Å²	99	108.2 Å²	108.2	61%	0.607	63%	0.625	S	S	*	*			trans	-70.5	125.9	-174.3	45	0	0	0	0	109.2	S52 S59	S52-T54 PolarHBondContact O-N 2.87Å; T54-S59 WeakPolarHBondContact O-CB 3.42Å
55	T	80.1	Confident	70.1	Confident	138 Å²	138	104.6 Å²	104.6	85%	0.847	60%	0.596	S	S	*	*			trans	-104	143.5	178	53	0	0	0	0	110.2	A53	A53-T55 PolarHBondContact O-N 3.34Å
56	G	86.2	Confident	72.9	Confident	43 Å²	43	98.3 Å²	98.3	44%	0.443	56%	0.562	S	S	.	*	S	Bend	trans	120.1	-179.5	178.7	0	0	0	0	0	113	S58 S59	G56-S58 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact O-N 3.16Å; G56-S59 WeakPolarHBondContact O-CB 3.34Å; G56-S59 PolarHBondContact O-N 3.1Å; G56-S59 VanDerWaalsContact O-N 3.11Å; G56-S59 PolarHBondContact O-OG 3.47Å
57	P	86.8	Confident	75.6	Confident	75 Å²	75	87.5 Å²	87.5	49%	0.487	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.4	-164.6	-17.1	31.1	0	0	0	115.2	R63 T66 F99	P57-R63 PolarHBondContact O-NH2 2.99Å; P57-T66 HydrophobicContact CB-CG2 3.86Å; P57-F99 HydrophobicContact CB-CZ 3.83Å
58	S	90.6	Very high	78.2	Confident	16 Å²	16	80 Å²	80	11%	0.112	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.9	176.6	-56.4	0	0	0	0	113.2	G56 S61 T64 H65 T66 E69	G56-S58 PolarHBondContact O-N 2.82Å; G56-S58 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 2.84Å; S58-T64 WeakPolarHBondContact CB-O 3.44Å; S58-H65 VanDerWaalsContact OG-C 3.28Å; S58-H65 WeakPolarHBondContact OG-CA 3.27Å; S58-T66 WeakPolarHBondContact OG-CG2 3.28Å; S58-T66 PolarHBondContact OG-N 2.72Å; S58-E69 PolarHBondContact OG-OE1 3.41Å
59	S	89.6	Confident	80.8	Confident	39 Å²	39	74.3 Å²	74.3	27%	0.273	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	157.7	176.3	74.7	0	0	0	0	112.5	T54 G56 S61	T54-S59 WeakPolarHBondContact O-CB 3.42Å; G56-S59 WeakPolarHBondContact O-CB 3.34Å; G56-S59 PolarHBondContact O-N 3.1Å; G56-S59 VanDerWaalsContact O-N 3.11Å; G56-S59 PolarHBondContact O-OG 3.47Å; S59-S61 PolarHBondContact O-N 2.91Å
60	L	90.5	Very high	83.4	Confident	185 Å²	185	68.5 Å²	68.5	97%	0.969	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	24.3	178.4	-52.4	177.4	0	0	0	114.2
61	S	89.4	Confident	85.9	Confident	57 Å²	57	67.2 Å²	67.2	40%	0.399	40%	0.403	S	S	.	.	S	Bend	trans	-137.2	167	-174.6	83.4	0	0	0	0	112.2	S58 S59 R63	S58-S61 PolarHBondContact O-OG 2.84Å; S59-S61 PolarHBondContact O-N 2.91Å; S61-R63 WeakPolarHBondContact OG-CG 3.5Å
62	F	90.3	Very high	87.9	Confident	139 Å²	139	63.5 Å²	63.5	61%	0.61	38%	0.379	S	S	*	.	S	Bend	trans	-91.8	3.4	-179.9	55.4	-103.2	0	0	0	114.3	T80 C82 K130 F162	F62-T80 WeakPolarHBondContact O-CG2 3.39Å; F62-C82 HydrophobicContact CE2-CB 4.42Å; F62-C82 VanDerWaalsContact CE2-SG 3.52Å; F62-K130 HydrophobicContact CD2-CD 4.24Å; F62-K130 HydrophobicContact CE2-CD 4.39Å; F62-F162 AromaticContact CE2-CE2 3.74Å; F62-F162 HydrophobicContact CE2-CE2 3.74Å; F62-F162 AromaticContact CE2-CZ 3.62Å; F62-F162 HydrophobicContact CE2-CZ 3.62Å; F62-F162 HydrophobicContact CZ-CE2 4.02Å; F62-F162 AromaticContact CZ-CZ 3.94Å; F62-F162 HydrophobicContact CZ-CZ 3.94Å
63	R	94	Very high	89.8	Confident	53 Å²	53	65.1 Å²	65.1	20%	0.2	38%	0.375	C	S	.	.			trans	-86.9	145.4	161.9	56.3	168.9	176.4	-149.3	-4.4	108.9	P57 S61 H65 T80 D98	P57-R63 PolarHBondContact O-NH2 2.99Å; S61-R63 WeakPolarHBondContact OG-CG 3.5Å; R63-H65 WeakPolarHBondContact CD-O 3.26Å; R63-T80 CarbonylContact C-O 3.04Å; R63-T80 VanDerWaalsContact CA-O 3.28Å; R63-T80 WeakPolarHBondContact CA-O 3.48Å; R63-T80 WeakPolarHBondContact CB-O 3.36Å; R63-D98 IonicContact NH1-OD2 3.93Å; R63-D98 PolarHBondContact NH1-OD2 3.12Å
64	T	94.9	Very high	91.7	Very high	63 Å²	63	61.7 Å²	61.7	39%	0.387	34%	0.343	S	S	.	.	S	Bend	trans	-80.9	-39.1	168	63.8	0	0	0	0	110.1	S58 V79 T80	S58-T64 WeakPolarHBondContact CB-O 3.44Å; T64-V79 VanDerWaalsContact OG1-CA 3.32Å; T64-V79 WeakPolarHBondContact OG1-CA 3.48Å; T64-T80 PolarHBondContact N-O 2.91Å; T64-T80 PolarHBondContact OG1-N 3.45Å; T64-T80 PolarHBondContact OG1-O 3Å
65	H	96.1	Very high	93.1	Very high	38 Å²	38	60 Å²	60	18%	0.176	33%	0.332	C	S	.	.	S	Bend	trans	-136.1	155.2	-173.1	-65.6	132	0	0	0	112.3	S58 R63 E69 L70 H74 E77 V79 T80 L81	S58-H65 VanDerWaalsContact OG-C 3.28Å; S58-H65 WeakPolarHBondContact OG-CA 3.27Å; R63-H65 WeakPolarHBondContact CD-O 3.26Å; H65-E69 WeakPolarHBondContact CA-OE1 3.45Å; H65-E69 HydrophobicContact CB-CG 4.2Å; H65-E69 WeakPolarHBondContact CB-OE1 3.42Å; H65-E69 IonicContact CD2-OE1 2.82Å; H65-E69 PolarHBondContact CD2-OE1 3.01Å; H65-E69 IonicContact CG-OE1 2.67Å; H65-L70 HydrophobicContact CB-CD2 3.99Å; H65-H74 AromaticContact CE1-CD2 3.86Å; H65-E77 IonicContact CE1-OE2 2.81Å; H65-E77 PolarHBondContact CE1-OE2 2.78Å; H65-V79 WeakPolarHBondContact ND1-CG1 3.36Å; H65-T80 PolarHBondContact N-O 2.74Å; H65-L81 HydrophobicContact CB-CD2 3.79Å; H65-L81 VanDerWaalsContact O-CD2 3.26Å; H65-L81 WeakPolarHBondContact O-CD2 3.49Å
66	T	96.6	Very high	94	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.012	32%	0.32	C	S	.	.			trans	-77.9	158.9	167.6	71.7	0	0	0	0	111.3	P57 S58 G68 E69 D98 F99 S100	P57-T66 HydrophobicContact CB-CG2 3.86Å; S58-T66 WeakPolarHBondContact OG-CG2 3.28Å; S58-T66 PolarHBondContact OG-N 2.72Å; T66-G68 PolarHBondContact O-N 3.49Å; T66-E69 WeakPolarHBondContact CB-OE2 3.3Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.49Å; T66-E69 VanDerWaalsContact N-CD 3.27Å; T66-E69 PolarHBondContact N-OE1 3.15Å; T66-E69 WeakPolarHBondContact OG1-CB 3.28Å; T66-E69 VanDerWaalsContact OG1-CG 3.27Å; T66-E69 WeakPolarHBondContact OG1-CG 3.49Å; T66-E69 PolarHBondContact OG1-OE2 3.21Å; T66-D98 WeakPolarHBondContact CA-OD2 3.49Å; T66-D98 WeakPolarHBondContact CB-OD2 3.17Å; T66-F99 HydrophobicContact CG2-CE1 4.2Å; T66-F99 HydrophobicContact CG2-CZ 4.03Å; T66-S100 VanDerWaalsContact CB-OG 3.24Å; T66-S100 WeakPolarHBondContact CB-OG 3.47Å; T66-S100 PolarHBondContact OG1-OG 3.17Å; T66-S100 VanDerWaalsContact OG1-OG 3.04Å
67	C	96.8	Very high	94.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.2	-176.7	-59.5	0	0	0	0	113.8	D98 L102 T103	C67-D98 HydrophobicContact CB-CB 4.13Å; C67-D98 PolarHBondContact N-OD1 2.81Å; C67-D98 PolarHBondContact N-OD2 3.14Å; C67-L102 CarbonylContact O-C 3.5Å; C67-L102 VanDerWaalsContact O-O 3.11Å; C67-T103 WeakPolarHBondContact O-CB 3.12Å; C67-T103 PolarHBondContact O-N 3.27Å; C67-T103 PolarHBondContact O-OG1 3.38Å
68	G	95.8	Very high	95	Very high	8 Å²	8	60.5 Å²	60.5	8%	0.082	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-9.2	-177.5	0	0	0	0	0	115.8	T66 R71 S100	T66-G68 PolarHBondContact O-N 3.49Å; G68-R71 PolarHBondContact O-NH1 2.98Å; G68-R71 PolarHBondContact O-NH2 3.1Å; G68-S100 WeakPolarHBondContact CA-OG 3.42Å; G68-S100 PolarHBondContact N-OG 3.06Å
69	E	95.5	Very high	95.4	Very high	54 Å²	54	59.8 Å²	59.8	25%	0.252	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-14.2	-172.1	72.5	-158.1	-173.7	0	0	115.5	S58 H65 T66 R71 H74	S58-E69 PolarHBondContact OG-OE1 3.41Å; H65-E69 WeakPolarHBondContact CA-OE1 3.45Å; H65-E69 HydrophobicContact CB-CG 4.2Å; H65-E69 WeakPolarHBondContact CB-OE1 3.42Å; H65-E69 IonicContact CD2-OE1 2.82Å; H65-E69 PolarHBondContact CD2-OE1 3.01Å; H65-E69 IonicContact CG-OE1 2.67Å; T66-E69 WeakPolarHBondContact CB-OE2 3.3Å; T66-E69 WeakPolarHBondContact CG2-OE2 3.49Å; T66-E69 VanDerWaalsContact N-CD 3.27Å; T66-E69 PolarHBondContact N-OE1 3.15Å; T66-E69 WeakPolarHBondContact OG1-CB 3.28Å; T66-E69 VanDerWaalsContact OG1-CG 3.27Å; T66-E69 WeakPolarHBondContact OG1-CG 3.49Å; T66-E69 PolarHBondContact OG1-OE2 3.21Å; E69-R71 PolarHBondContact O-NH1 3.27Å; E69-H74 PolarHBondContact O-CE1 2.72Å
70	L	97.1	Very high	95.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.308	C	S	.	.			trans	-63.2	135.9	-179.8	-62.7	-176.8	0	0	0	113	H65 H74 V79 L81 T103 V135 T149 V152 V154	H65-L70 HydrophobicContact CB-CD2 3.99Å; L70-H74 HydrophobicContact CD2-CB 4.41Å; L70-V79 HydrophobicContact CD2-CG1 4.31Å; L70-L81 HydrophobicContact CD1-CD1 4Å; L70-L81 HydrophobicContact CD1-CD2 4.32Å; L70-T103 HydrophobicContact CD1-CG2 4.13Å; L70-V135 HydrophobicContact CD1-CG2 4.07Å; L70-V135 HydrophobicContact CD2-CG2 4.19Å; L70-T149 WeakPolarHBondContact O-CG2 3.24Å; L70-V152 HydrophobicContact CB-CG2 4.25Å; L70-V154 HydrophobicContact CD1-CG2 3.65Å
71	R	97.4	Very high	96.1	Very high	87 Å²	87	50.1 Å²	50.1	33%	0.328	26%	0.262	S	S	.	.			trans	-143.9	167.8	-177.3	-61.8	-64.7	178.3	-83.8	-6.4	110.5	G68 E69 H73 H74 P148	G68-R71 PolarHBondContact O-NH1 2.98Å; G68-R71 PolarHBondContact O-NH2 3.1Å; E69-R71 PolarHBondContact O-NH1 3.27Å; R71-H73 PolarHBondContact O-N 3.12Å; R71-H74 PolarHBondContact N-ND1 3.04Å; R71-H74 VanDerWaalsContact N-ND1 3.1Å; R71-H74 WeakPolarHBondContact O-CB 3.45Å; R71-H74 PolarHBondContact O-N 3.32Å; R71-H74 PolarHBondContact O-ND1 3.1Å; R71-P148 VanDerWaalsContact CD-O 3.23Å; R71-P148 WeakPolarHBondContact CD-O 3.19Å; R71-P148 PolarHBondContact NE-O 2.87Å; R71-P148 PolarHBondContact NH1-O 3.27Å
72	S	96.2	Very high	96.4	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-11.2	-178.5	-52.1	0	0	0	0	116.7	V75 D151	S72-V75 WeakPolarHBondContact O-CG2 3.47Å; S72-D151 WeakPolarHBondContact OG-CB 3.23Å; S72-D151 PolarHBondContact OG-OD2 2.76Å
73	H	96.6	Very high	96.7	Very high	142 Å²	142	41.8 Å²	41.8	66%	0.657	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-19.5	170.7	54.9	-110.5	0	0	0	114.4	R71 V75	R71-H73 PolarHBondContact O-N 3.12Å; H73-V75 PolarHBondContact O-N 3.5Å
74	H	97.9	Very high	96.9	Very high	22 Å²	22	43 Å²	43	10%	0.102	23%	0.226	C	C	.	.	S	Bend	trans	-80.8	5.7	175.5	-56.9	84.1	0	0	0	112.6	H65 E69 L70 R71 G76 E77 V135	H65-H74 AromaticContact CE1-CD2 3.86Å; E69-H74 PolarHBondContact O-CE1 2.72Å; L70-H74 HydrophobicContact CD2-CB 4.41Å; R71-H74 PolarHBondContact N-ND1 3.04Å; R71-H74 VanDerWaalsContact N-ND1 3.1Å; R71-H74 WeakPolarHBondContact O-CB 3.45Å; R71-H74 PolarHBondContact O-N 3.32Å; R71-H74 PolarHBondContact O-ND1 3.1Å; H74-G76 PolarHBondContact O-N 2.94Å; H74-E77 WeakPolarHBondContact CA-OE1 3.23Å; H74-E77 HydrophobicContact CB-CG 4.48Å; H74-E77 IonicContact CD2-OE1 2.86Å; H74-E77 IonicContact CD2-OE2 3.21Å; H74-E77 PolarHBondContact CD2-OE2 2.64Å; H74-E77 IonicContact CG-OE2 3.89Å; H74-E77 VanDerWaalsContact O-CB 3.24Å; H74-E77 WeakPolarHBondContact O-CB 3.42Å; H74-E77 WeakPolarHBondContact O-CG 3.43Å; H74-E77 PolarHBondContact O-N 3.44Å; H74-V135 HydrophobicContact CB-CG1 4.32Å; H74-V135 WeakPolarHBondContact O-CB 3.42Å
75	V	97.9	Very high	96.9	Very high	62 Å²	62	40 Å²	40	38%	0.376	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	125.7	-172.6	169	0	0	0	0	110.5	S72 H73 V135 R137 V152	S72-V75 WeakPolarHBondContact O-CG2 3.47Å; H73-V75 PolarHBondContact O-N 3.5Å; V75-V135 HydrophobicContact CG2-CG1 4.45Å; V75-R137 HydrophobicContact CG1-CG 4.39Å; V75-R137 HydrophobicContact CG2-CG 3.87Å; V75-V152 HydrophobicContact CG2-CG1 3.9Å
76	G	97.3	Very high	96.8	Very high	58 Å²	58	39.8 Å²	39.8	60%	0.598	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.1	-9.1	-171.6	0	0	0	0	0	114.1	H74 V135	H74-G76 PolarHBondContact O-N 2.94Å; G76-V135 PolarHBondContact N-O 3.3Å
77	E	97.8	Very high	96.6	Very high	80 Å²	80	44.5 Å²	44.5	37%	0.374	23%	0.225	S	C	.	.			trans	-75.2	141.9	175.5	-65.7	179.4	-162.7	0	0	112.2	H65 H74 V79 T134 V135	H65-E77 IonicContact CE1-OE2 2.81Å; H65-E77 PolarHBondContact CE1-OE2 2.78Å; H74-E77 WeakPolarHBondContact CA-OE1 3.23Å; H74-E77 HydrophobicContact CB-CG 4.48Å; H74-E77 IonicContact CD2-OE1 2.86Å; H74-E77 IonicContact CD2-OE2 3.21Å; H74-E77 PolarHBondContact CD2-OE2 2.64Å; H74-E77 IonicContact CG-OE2 3.89Å; H74-E77 VanDerWaalsContact O-CB 3.24Å; H74-E77 WeakPolarHBondContact O-CB 3.42Å; H74-E77 WeakPolarHBondContact O-CG 3.43Å; H74-E77 PolarHBondContact O-N 3.44Å; E77-V79 HydrophobicContact CB-CG1 4.21Å; E77-T134 WeakPolarHBondContact O-CA 3.36Å; E77-V135 PolarHBondContact O-N 3.29Å
78	K	97.6	Very high	96.2	Very high	129 Å²	129	46.8 Å²	46.8	56%	0.561	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.3	169.6	-174.6	163	-175.6	156.9	0	110.1	G133 E157	K78-G133 WeakPolarHBondContact CA-O 3.49Å; K78-E157 VanDerWaalsContact CE-OE2 3.25Å; K78-E157 WeakPolarHBondContact CE-OE2 3.47Å; K78-E157 IonicContact NZ-OE1 3.45Å; K78-E157 IonicContact NZ-OE2 3.99Å; K78-E157 PolarHBondContact NZ-OE2 2.8Å
79	V	97.5	Very high	95.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.4	-171	-58	0	0	0	0	111.7	T64 H65 L70 E77 L81 T132 G133 V135 V154	T64-V79 VanDerWaalsContact OG1-CA 3.32Å; T64-V79 WeakPolarHBondContact OG1-CA 3.48Å; H65-V79 WeakPolarHBondContact ND1-CG1 3.36Å; L70-V79 HydrophobicContact CD2-CG1 4.31Å; E77-V79 HydrophobicContact CB-CG1 4.21Å; V79-L81 HydrophobicContact CG2-CG 4.42Å; V79-T132 WeakPolarHBondContact O-CA 3.5Å; V79-G133 PolarHBondContact N-O 3.09Å; V79-G133 PolarHBondContact O-N 3.18Å; V79-V135 HydrophobicContact CB-CG2 4.3Å; V79-V135 HydrophobicContact CG1-CG2 3.58Å; V79-V135 HydrophobicContact CG2-CG2 3.67Å; V79-V154 HydrophobicContact CG2-CG1 4.13Å; V79-V154 HydrophobicContact CG2-CG2 3.87Å
80	T	97.6	Very high	94.3	Very high	21 Å²	21	58 Å²	58	13%	0.129	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.5	165.8	-62.9	0	0	0	0	108.8	F62 R63 T64 H65 K130 V131 T132	F62-T80 WeakPolarHBondContact O-CG2 3.39Å; R63-T80 CarbonylContact C-O 3.04Å; R63-T80 VanDerWaalsContact CA-O 3.28Å; R63-T80 WeakPolarHBondContact CA-O 3.48Å; R63-T80 WeakPolarHBondContact CB-O 3.36Å; T64-T80 PolarHBondContact N-O 2.91Å; T64-T80 PolarHBondContact OG1-N 3.45Å; T64-T80 PolarHBondContact OG1-O 3Å; H65-T80 PolarHBondContact N-O 2.74Å; T80-K130 HydrophobicContact CG2-CD 4.27Å; T80-K130 HydrophobicContact CG2-CG 3.9Å; T80-V131 CarbonylContact C-O 3.43Å; T80-V131 VanDerWaalsContact CA-O 3.28Å; T80-V131 WeakPolarHBondContact CA-O 3.46Å; T80-T132 PolarHBondContact OG1-OG1 3.16Å
81	L	97.5	Very high	93	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	150.9	175.7	-56.4	-177.1	0	0	0	109.8	H65 L70 V79 L96 T103 K130 V131 V154	H65-L81 HydrophobicContact CB-CD2 3.79Å; H65-L81 VanDerWaalsContact O-CD2 3.26Å; H65-L81 WeakPolarHBondContact O-CD2 3.49Å; L70-L81 HydrophobicContact CD1-CD1 4Å; L70-L81 HydrophobicContact CD1-CD2 4.32Å; V79-L81 HydrophobicContact CG2-CG 4.42Å; L81-L96 HydrophobicContact CB-CD2 3.66Å; L81-L96 HydrophobicContact CD1-CD2 4.43Å; L81-T103 HydrophobicContact CD1-CG2 3.7Å; L81-K130 CarbonylContact O-C 3.58Å; L81-K130 WeakPolarHBondContact O-CA 3.26Å; L81-V131 PolarHBondContact N-O 3.44Å; L81-V131 PolarHBondContact O-N 2.94Å; L81-V154 HydrophobicContact CD1-CG2 4Å
82	C	97.1	Very high	92.1	Very high	19 Å²	19	62 Å²	62	13%	0.128	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.6	176.8	-58.2	0	0	0	0	109.9	F62 V129	F62-C82 HydrophobicContact CE2-CB 4.42Å; F62-C82 VanDerWaalsContact CE2-SG 3.52Å; C82-V129 WeakPolarHBondContact CA-O 3.47Å
83	G	96.3	Very high	91.8	Very high	2 Å²	2	61.7 Å²	61.7	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-164.9	-173.9	0	0	0	0	0	114.8	R97 V128 V129	G83-R97 CarbonylContact C-O 3.53Å; G83-R97 VanDerWaalsContact CA-O 3.24Å; G83-R97 WeakPolarHBondContact CA-O 3.35Å; G83-V128 WeakPolarHBondContact O-CA 3.4Å; G83-V129 PolarHBondContact N-O 3.23Å; G83-V129 PolarHBondContact O-N 3.34Å
84	W	96.8	Very high	91.7	Very high	78 Å²	78	54.9 Å²	54.9	30%	0.295	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.8	-179.7	-68.4	-91	0	0	0	111.5	Q86 R97 S127 R192	W84-Q86 PolarHBondContact O-N 3.46Å; W84-Q86 VanDerWaalsContact O-N 3.08Å; W84-R97 PolarHBondContact N-O 3.36Å; W84-R97 PolarHBondContact O-N 2.77Å; W84-S127 CarbonylContact C-O 3.59Å; W84-S127 VanDerWaalsContact CA-O 3.32Å; W84-S127 WeakPolarHBondContact CA-O 3.37Å; W84-R192 VanDerWaalsContact NE1-CZ 3.3Å
85	V	95.2	Very high	91.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	101.2	173.2	-178.6	0	0	0	0	109.4	L88 I94 L123 V125 E126 S127 V129	V85-L88 HydrophobicContact CG1-CB 4.32Å; V85-I94 HydrophobicContact CG1-CB 4.41Å; V85-I94 HydrophobicContact CG1-CG2 4.22Å; V85-L123 HydrophobicContact CG2-CD1 4.33Å; V85-L123 HydrophobicContact CG2-CD2 3.83Å; V85-L123 HydrophobicContact CG2-CG 4.07Å; V85-V125 WeakPolarHBondContact O-CA 3.19Å; V85-E126 PolarHBondContact O-N 2.76Å; V85-S127 PolarHBondContact N-O 3.4Å; V85-V129 HydrophobicContact CG2-CG1 4.14Å; V85-V129 HydrophobicContact CG2-CG2 4.13Å
86	Q	94.4	Very high	91.5	Very high	35 Å²	35	52.2 Å²	52.2	16%	0.164	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-32.3	177.3	176	65.1	85.1	0	0	112	W84 I95 R97 L102 I172	W84-Q86 PolarHBondContact O-N 3.46Å; W84-Q86 VanDerWaalsContact O-N 3.08Å; Q86-I95 HydrophobicContact CB-CB 4.4Å; Q86-I95 HydrophobicContact CB-CG2 4.32Å; Q86-I95 WeakPolarHBondContact CB-O 3.42Å; Q86-I95 PolarHBondContact N-O 3.32Å; Q86-R97 HydrophobicContact CB-CB 4.14Å; Q86-L102 HydrophobicContact CB-CD2 4.05Å; Q86-L102 HydrophobicContact CG-CD2 3.92Å; Q86-I172 PolarHBondContact NE2-O 3.12Å
87	Y	92	Very high	91.4	Very high	100 Å²	100	50.4 Å²	50.4	39%	0.392	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	149.3	-177.6	178.3	-108.8	0	0	0	109.8	R89 F93 I94 I95	Y87-R89 HydrophobicContact CE1-CB 3.79Å; Y87-F93 AromaticContact CD1-CE2 3.81Å; Y87-F93 HydrophobicContact CD1-CE2 3.81Å; Y87-F93 HydrophobicContact CD1-CZ 4.48Å; Y87-F93 AromaticContact CE1-CE2 3.73Å; Y87-F93 HydrophobicContact CE1-CE2 3.73Å; Y87-F93 AromaticContact CE1-CZ 3.95Å; Y87-F93 HydrophobicContact CE1-CZ 3.95Å; Y87-I94 CarbonylContact O-C 3.56Å; Y87-I94 VanDerWaalsContact O-CA 3.28Å; Y87-I94 WeakPolarHBondContact O-CA 2.96Å; Y87-I95 HydrophobicContact CD1-CD1 4.03Å; Y87-I95 HydrophobicContact CD1-CG1 4.21Å; Y87-I95 HydrophobicContact CG-CD1 4.47Å; Y87-I95 PolarHBondContact O-N 3.2Å
88	L	89	Confident	91.3	Very high	48 Å²	48	47 Å²	47	25%	0.251	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	138.6	176.5	166.9	65.6	0	0	0	107.9	V85 I94 L123	V85-L88 HydrophobicContact CG1-CB 4.32Å; L88-I94 HydrophobicContact CB-CG2 4.19Å; L88-I94 HydrophobicContact CD1-CG2 3.53Å; L88-I94 HydrophobicContact CG-CG2 4.43Å; L88-L123 VanDerWaalsContact CD2-O 3.28Å; L88-L123 WeakPolarHBondContact CD2-O 3.47Å
89	R	84.4	Confident	91	Very high	127 Å²	127	44 Å²	44	48%	0.479	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	93	174.5	-174.8	-176.1	178	179.7	-2.2	110.9	Y87 D91 L92 F93	Y87-R89 HydrophobicContact CE1-CB 3.79Å; R89-D91 PolarHBondContact O-N 2.86Å; R89-D91 VanDerWaalsContact O-N 3.17Å; R89-L92 WeakPolarHBondContact O-CB 3.4Å; R89-L92 PolarHBondContact O-N 2.87Å; R89-F93 HydrophobicContact CB-CD1 4.39Å; R89-F93 HydrophobicContact CB-CE1 4.14Å; R89-F93 HydrophobicContact CB-CZ 4.21Å; R89-F93 HydrophobicContact CG-CE1 4.46Å; R89-F93 PolarHBondContact N-O 3.44Å
90	Q	66.9	Low	90.8	Very high	171 Å²	171	46.4 Å²	46.4	80%	0.799	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	34.1	66.8	163.4	-68.7	177.2	-42.2	0	0	113.4	L92	Q90-L92 PolarHBondContact O-N 2.83Å
91	D	68.8	Low	90.6	Very high	79 Å²	79	46.6 Å²	46.6	42%	0.422	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	6.5	176.8	-49.4	-25.6	0	0	0	117.4	R89 I107	R89-D91 PolarHBondContact O-N 2.86Å; R89-D91 VanDerWaalsContact O-N 3.17Å; D91-I107 WeakPolarHBondContact O-CB 3.22Å
92	L	80.3	Confident	90.6	Very high	91 Å²	91	49.1 Å²	49.1	48%	0.476	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-53.6	175.7	-61.3	174.3	0	0	0	112	R89 Q90 L106 I107	R89-L92 WeakPolarHBondContact O-CB 3.4Å; R89-L92 PolarHBondContact O-N 2.87Å; Q90-L92 PolarHBondContact O-N 2.83Å; L92-L106 WeakPolarHBondContact O-CD1 3.44Å; L92-I107 PolarHBondContact O-N 3.37Å
93	F	89.5	Confident	90.6	Very high	30 Å²	30	48.3 Å²	48.3	13%	0.132	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	158.6	-178.7	66.9	-95.2	0	0	0	113.4	Y87 R89 I95 Q104 V105 L106	Y87-F93 AromaticContact CD1-CE2 3.81Å; Y87-F93 HydrophobicContact CD1-CE2 3.81Å; Y87-F93 HydrophobicContact CD1-CZ 4.48Å; Y87-F93 AromaticContact CE1-CE2 3.73Å; Y87-F93 HydrophobicContact CE1-CE2 3.73Å; Y87-F93 AromaticContact CE1-CZ 3.95Å; Y87-F93 HydrophobicContact CE1-CZ 3.95Å; R89-F93 HydrophobicContact CB-CD1 4.39Å; R89-F93 HydrophobicContact CB-CE1 4.14Å; R89-F93 HydrophobicContact CB-CZ 4.21Å; R89-F93 HydrophobicContact CG-CE1 4.46Å; R89-F93 PolarHBondContact N-O 3.44Å; F93-I95 HydrophobicContact CD2-CG1 4.3Å; F93-I95 HydrophobicContact CE2-CD1 4.43Å; F93-I95 HydrophobicContact CE2-CG1 4.13Å; F93-Q104 HydrophobicContact CB-CG 4.45Å; F93-Q104 HydrophobicContact CD2-CG 4.26Å; F93-Q104 HydrophobicContact CG-CG 4.48Å; F93-V105 VanDerWaalsContact CA-O 3.26Å; F93-V105 WeakPolarHBondContact CA-O 3.33Å; F93-V105 VanDerWaalsContact CB-O 3.26Å; F93-V105 WeakPolarHBondContact CB-O 3.39Å; F93-L106 HydrophobicContact CB-CD1 4.3Å
94	I	93.1	Very high	90.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	154.8	161.6	61.9	177.2	0	0	0	110.4	V85 Y87 L88 V105 V129 V131	V85-I94 HydrophobicContact CG1-CB 4.41Å; V85-I94 HydrophobicContact CG1-CG2 4.22Å; Y87-I94 CarbonylContact O-C 3.56Å; Y87-I94 VanDerWaalsContact O-CA 3.28Å; Y87-I94 WeakPolarHBondContact O-CA 2.96Å; L88-I94 HydrophobicContact CB-CG2 4.19Å; L88-I94 HydrophobicContact CD1-CG2 3.53Å; L88-I94 HydrophobicContact CG-CG2 4.43Å; I94-V105 HydrophobicContact CD1-CB 4.42Å; I94-V105 HydrophobicContact CG1-CB 3.76Å; I94-V105 HydrophobicContact CG1-CG1 4.29Å; I94-V105 HydrophobicContact CG1-CG2 4.4Å; I94-V105 PolarHBondContact N-O 2.9Å; I94-V105 PolarHBondContact O-N 3.43Å; I94-V129 HydrophobicContact CD1-CG2 4.18Å; I94-V131 HydrophobicContact CD1-CG2 4.37Å
95	I	95.3	Very high	90.6	Very high	28 Å²	28	45.4 Å²	45.4	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.2	161.5	-56.9	178.8	0	0	0	106.9	Q86 Y87 F93 L102 T103	Q86-I95 HydrophobicContact CB-CB 4.4Å; Q86-I95 HydrophobicContact CB-CG2 4.32Å; Q86-I95 WeakPolarHBondContact CB-O 3.42Å; Q86-I95 PolarHBondContact N-O 3.32Å; Y87-I95 HydrophobicContact CD1-CD1 4.03Å; Y87-I95 HydrophobicContact CD1-CG1 4.21Å; Y87-I95 HydrophobicContact CG-CD1 4.47Å; Y87-I95 PolarHBondContact O-N 3.2Å; F93-I95 HydrophobicContact CD2-CG1 4.3Å; F93-I95 HydrophobicContact CE2-CD1 4.43Å; F93-I95 HydrophobicContact CE2-CG1 4.13Å; I95-L102 HydrophobicContact CG2-CB 3.91Å; I95-L102 HydrophobicContact CG2-CD1 4.42Å; I95-L102 HydrophobicContact CG2-CD2 3.94Å; I95-L102 HydrophobicContact CG2-CG 4.32Å; I95-T103 WeakPolarHBondContact CA-O 3.1Å
96	L	96.4	Very high	90.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.4	178.8	-168.7	66.6	0	0	0	109.7	L81 L102 T103 V105 V129 V131	L81-L96 HydrophobicContact CB-CD2 3.66Å; L81-L96 HydrophobicContact CD1-CD2 4.43Å; L96-L102 CarbonylContact O-C 3.52Å; L96-L102 WeakPolarHBondContact O-CA 3.18Å; L96-T103 PolarHBondContact N-O 3.21Å; L96-T103 PolarHBondContact O-N 3.37Å; L96-V105 HydrophobicContact CB-CG2 4.2Å; L96-V129 HydrophobicContact CD1-CG2 3.43Å; L96-V129 VanDerWaalsContact CD1-CG2 3.43Å; L96-V131 HydrophobicContact CD2-CG2 4.11Å
97	R	96.2	Very high	90.2	Very high	19 Å²	19	45.7 Å²	45.7	7%	0.072	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.1	178.5	-172.5	-176.1	71.6	-124.7	-11.6	111.2	G83 W84 Q86 G101 L102 E126	G83-R97 CarbonylContact C-O 3.53Å; G83-R97 VanDerWaalsContact CA-O 3.24Å; G83-R97 WeakPolarHBondContact CA-O 3.35Å; W84-R97 PolarHBondContact N-O 3.36Å; W84-R97 PolarHBondContact O-N 2.77Å; Q86-R97 HydrophobicContact CB-CB 4.14Å; R97-G101 WeakPolarHBondContact CA-O 3.36Å; R97-L102 HydrophobicContact CB-CD2 3.51Å; R97-L102 HydrophobicContact CG-CD2 3.6Å; R97-E126 IonicContact CZ-OE1 3.27Å; R97-E126 IonicContact CZ-OE2 3.71Å; R97-E126 IonicContact NH1-OE1 3.17Å; R97-E126 PolarHBondContact NH1-OE1 2.82Å; R97-E126 IonicContact NH2-OE1 2.67Å; R97-E126 PolarHBondContact NH2-OE1 2.96Å; R97-E126 IonicContact NH2-OE2 3.49Å; R97-E126 PolarHBondContact NH2-OE2 2.84Å
98	D	95	Very high	89.8	Confident	8 Å²	8	42 Å²	42	4%	0.043	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-167.1	153.1	73.9	18.4	0	0	0	110.3	R63 T66 C67 S100 G101	R63-D98 IonicContact NH1-OD2 3.93Å; R63-D98 PolarHBondContact NH1-OD2 3.12Å; T66-D98 WeakPolarHBondContact CA-OD2 3.49Å; T66-D98 WeakPolarHBondContact CB-OD2 3.17Å; C67-D98 HydrophobicContact CB-CB 4.13Å; C67-D98 PolarHBondContact N-OD1 2.81Å; C67-D98 PolarHBondContact N-OD2 3.14Å; D98-S100 PolarHBondContact O-N 2.84Å; D98-S100 VanDerWaalsContact O-N 3.15Å; D98-S100 WeakPolarHBondContact OD1-CB 3.46Å; D98-S100 PolarHBondContact OD1-N 2.8Å; D98-S100 PolarHBondContact OD1-OG 3.24Å; D98-G101 PolarHBondContact N-O 3.09Å; D98-G101 VanDerWaalsContact N-O 3.09Å; D98-G101 PolarHBondContact O-N 3.19Å
99	F	92.3	Very high	88.9	Confident	68 Å²	68	45.1 Å²	45.1	30%	0.298	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.7	-178.1	74.3	-87.5	0	0	0	114.6	P57 T66 R201	P57-F99 HydrophobicContact CB-CZ 3.83Å; T66-F99 HydrophobicContact CG2-CE1 4.2Å; T66-F99 HydrophobicContact CG2-CZ 4.03Å; F99-R201 VanDerWaalsContact CB-NH2 3.31Å
100	S	93.5	Very high	88	Confident	50 Å²	50	45.3 Å²	45.3	35%	0.35	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-21.3	-174.8	69.8	0	0	0	0	113.3	T66 G68 D98	T66-S100 VanDerWaalsContact CB-OG 3.24Å; T66-S100 WeakPolarHBondContact CB-OG 3.47Å; T66-S100 PolarHBondContact OG1-OG 3.17Å; T66-S100 VanDerWaalsContact OG1-OG 3.04Å; G68-S100 WeakPolarHBondContact CA-OG 3.42Å; G68-S100 PolarHBondContact N-OG 3.06Å; D98-S100 PolarHBondContact O-N 2.84Å; D98-S100 VanDerWaalsContact O-N 3.15Å; D98-S100 WeakPolarHBondContact OD1-CB 3.46Å; D98-S100 PolarHBondContact OD1-N 2.8Å; D98-S100 PolarHBondContact OD1-OG 3.24Å
101	G	93.4	Very high	87.3	Confident	26 Å²	26	43.7 Å²	43.7	27%	0.268	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	152.7	-157.4	-176.2	0	0	0	0	0	114.1	R97 D98	R97-G101 WeakPolarHBondContact CA-O 3.36Å; D98-G101 PolarHBondContact N-O 3.09Å; D98-G101 VanDerWaalsContact N-O 3.09Å; D98-G101 PolarHBondContact O-N 3.19Å
102	L	95.8	Very high	86.5	Confident	53 Å²	53	44.4 Å²	44.4	28%	0.277	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.3	-171.9	-61.2	174.1	0	0	0	110.4	C67 Q86 I95 L96 R97 M147 T149	C67-L102 CarbonylContact O-C 3.5Å; C67-L102 VanDerWaalsContact O-O 3.11Å; Q86-L102 HydrophobicContact CB-CD2 4.05Å; Q86-L102 HydrophobicContact CG-CD2 3.92Å; I95-L102 HydrophobicContact CG2-CB 3.91Å; I95-L102 HydrophobicContact CG2-CD1 4.42Å; I95-L102 HydrophobicContact CG2-CD2 3.94Å; I95-L102 HydrophobicContact CG2-CG 4.32Å; L96-L102 CarbonylContact O-C 3.52Å; L96-L102 WeakPolarHBondContact O-CA 3.18Å; R97-L102 HydrophobicContact CB-CD2 3.51Å; R97-L102 HydrophobicContact CG-CD2 3.6Å; L102-M147 HydrophobicContact CB-CE 3.79Å; L102-T149 WeakPolarHBondContact O-CB 3.48Å; L102-T149 VanDerWaalsContact O-CG2 3.24Å; L102-T149 WeakPolarHBondContact O-CG2 3.14Å; L102-T149 PolarHBondContact O-OG1 3.09Å
103	T	97.7	Very high	85.3	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.1	167.2	-82.5	0	0	0	0	110	C67 L70 L81 I95 L96 V105 V154	C67-T103 WeakPolarHBondContact O-CB 3.12Å; C67-T103 PolarHBondContact O-N 3.27Å; C67-T103 PolarHBondContact O-OG1 3.38Å; L70-T103 HydrophobicContact CD1-CG2 4.13Å; L81-T103 HydrophobicContact CD1-CG2 3.7Å; I95-T103 WeakPolarHBondContact CA-O 3.1Å; L96-T103 PolarHBondContact N-O 3.21Å; L96-T103 PolarHBondContact O-N 3.37Å; T103-V105 HydrophobicContact CG2-CG2 4.37Å; T103-V154 HydrophobicContact CG2-CG2 3.95Å
104	Q	97.2	Very high	84	Confident	19 Å²	19	45.4 Å²	45.4	9%	0.089	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.6	169.1	-178.9	166.2	-56.9	0	0	109.8	F93 R138 E153 V154	F93-Q104 HydrophobicContact CB-CG 4.45Å; F93-Q104 HydrophobicContact CD2-CG 4.26Å; F93-Q104 HydrophobicContact CG-CG 4.48Å; Q104-R138 VanDerWaalsContact CB-NH2 3.35Å; Q104-E153 HydrophobicContact CB-CB 4.08Å; Q104-E153 HydrophobicContact CG-CB 4.14Å; Q104-E153 PolarHBondContact NE2-OE2 3.4Å; Q104-E153 CarbonylContact O-C 3.6Å; Q104-E153 WeakPolarHBondContact O-CA 3.16Å; Q104-E153 WeakPolarHBondContact O-CB 3.37Å; Q104-V154 PolarHBondContact O-N 2.68Å
105	V	95.8	Very high	82.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	112.4	174.3	176.8	0	0	0	0	107.7	F93 I94 L96 T103 I107 V131 V154 A156	F93-V105 VanDerWaalsContact CA-O 3.26Å; F93-V105 WeakPolarHBondContact CA-O 3.33Å; F93-V105 VanDerWaalsContact CB-O 3.26Å; F93-V105 WeakPolarHBondContact CB-O 3.39Å; I94-V105 HydrophobicContact CD1-CB 4.42Å; I94-V105 HydrophobicContact CG1-CB 3.76Å; I94-V105 HydrophobicContact CG1-CG1 4.29Å; I94-V105 HydrophobicContact CG1-CG2 4.4Å; I94-V105 PolarHBondContact N-O 2.9Å; I94-V105 PolarHBondContact O-N 3.43Å; L96-V105 HydrophobicContact CB-CG2 4.2Å; T103-V105 HydrophobicContact CG2-CG2 4.37Å; V105-I107 HydrophobicContact CG1-CD1 4.39Å; V105-V131 HydrophobicContact CG1-CG1 3.63Å; V105-V131 HydrophobicContact CG1-CG2 4.28Å; V105-V131 HydrophobicContact CG2-CG1 4.24Å; V105-V131 HydrophobicContact CG2-CG2 4.37Å; V105-V154 CarbonylContact C-O 3.45Å; V105-V154 VanDerWaalsContact CA-O 3.31Å; V105-V154 WeakPolarHBondContact CA-O 3.32Å; V105-V154 HydrophobicContact CG2-CB 4.37Å; V105-A156 HydrophobicContact CG1-CB 3.88Å
106	L	93.4	Very high	81.3	Confident	37 Å²	37	48.9 Å²	48.9	19%	0.194	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.4	176.4	-170.1	77.8	0	0	0	109.9	L92 F93 V154 L155 A156	L92-L106 WeakPolarHBondContact O-CD1 3.44Å; F93-L106 HydrophobicContact CB-CD1 4.3Å; L106-V154 PolarHBondContact N-O 3.08Å; L106-L155 HydrophobicContact CD2-CD1 4.23Å; L106-A156 WeakPolarHBondContact O-CB 3.27Å; L106-A156 PolarHBondContact O-N 3.16Å
107	I	87.8	Confident	79.9	Confident	5 Å²	5	51.4 Å²	51.4	3%	0.026	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-93.2	126.5	174.1	-50.6	-52.9	0	0	0	108.1	D91 L92 V105 L120 A156	D91-I107 WeakPolarHBondContact O-CB 3.22Å; L92-I107 PolarHBondContact O-N 3.37Å; V105-I107 HydrophobicContact CG1-CD1 4.39Å; I107-L120 HydrophobicContact CB-CD1 4.34Å; I107-L120 HydrophobicContact CD1-CD1 3.79Å; I107-L120 HydrophobicContact CD1-CD2 4.43Å; I107-L120 HydrophobicContact CG1-CD1 3.74Å; I107-L120 HydrophobicContact CG2-CD1 3.68Å; I107-A156 HydrophobicContact CD1-CB 4.09Å
108	P	83.3	Confident	78.5	Confident	23 Å²	23	53.3 Å²	53.3	15%	0.149	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-66.5	142.4	178.8	25.7	-34.4	0	0	0	111.9	E110 V113 M116 L155 A156	P108-E110 PolarHBondContact O-N 2.79Å; P108-V113 HydrophobicContact CG-CG2 4.1Å; P108-M116 HydrophobicContact CG-CE 4.36Å; P108-L155 HydrophobicContact CB-CD1 4.25Å; P108-A156 WeakPolarHBondContact CD-O 3.19Å
109	P	70.1	Confident	77.3	Confident	112 Å²	112	54.7 Å²	54.7	73%	0.727	33%	0.325	S	S	*	.			trans	-76.7	-18.4	-174.6	30.4	-36.2	0	0	0	114.4	K117	P109-K117 PolarHBondContact O-NZ 3.12Å
110	E	65.5	Low	76.3	Confident	131 Å²	131	51.5 Å²	51.5	61%	0.612	31%	0.312	S	S	*	.	S	Bend	trans	-67.3	163.6	-169.7	-66.4	-172.6	172.8	0	0	115.5	P108 S112 K117	P108-E110 PolarHBondContact O-N 2.79Å; E110-S112 VanDerWaalsContact C-N 3.29Å; E110-S112 PolarHBondContact O-N 3.48Å; E110-K117 PolarHBondContact O-NZ 2.92Å
111	D	53.9	Low	75.2	Confident	137 Å²	137	53.4 Å²	53.4	73%	0.733	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-81.9	-3.7	-179.4	-62.5	-43.7	0	0	0	114.2	V113	D111-V113 PolarHBondContact O-N 3.27Å
112	S	50.3	Low	74.2	Confident	94 Å²	94	58.7 Å²	58.7	66%	0.657	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-62.7	3.3	170.3	47.6	0	0	0	0	113.9	E110	E110-S112 VanDerWaalsContact C-N 3.29Å; E110-S112 PolarHBondContact O-N 3.48Å
113	V	56	Low	73.7	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.055	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-140.6	33.6	-160.3	-152.9	0	0	0	0	113.7	P108 D111 S115 M116 K117	P108-V113 HydrophobicContact CG-CG2 4.1Å; D111-V113 PolarHBondContact O-N 3.27Å; V113-S115 PolarHBondContact O-N 2.85Å; V113-M116 HydrophobicContact CG1-CB 3.48Å; V113-M116 VanDerWaalsContact CG1-CB 3.48Å; V113-M116 HydrophobicContact CG1-CE 3.31Å; V113-M116 HydrophobicContact CG1-CG 3.52Å; V113-M116 HydrophobicContact CG1-SD 4.13Å; V113-M116 PolarHBondContact O-N 3.3Å; V113-K117 WeakPolarHBondContact O-CB 3.01Å; V113-K117 WeakPolarHBondContact O-CG 3.48Å; V113-K117 PolarHBondContact O-N 3.21Å; V113-K117 VanDerWaalsContact O-N 3.08Å
114	I	61.4	Low	73.4	Confident	133 Å²	133	58.2 Å²	58.2	68%	0.682	35%	0.346	S	S	*	.	H	α-helix	trans	-54.6	-35.7	173.6	-62	172.2	0	0	0	111	A118	I114-A118 VanDerWaalsContact O-CB 3.32Å; I114-A118 WeakPolarHBondContact O-CB 3.43Å; I114-A118 PolarHBondContact O-N 3.04Å
115	S	63.3	Low	73.2	Confident	92 Å²	92	60.7 Å²	60.7	64%	0.643	36%	0.363	S	S	*	.	H	α-helix	trans	-68.5	-47.8	179.8	51.4	0	0	0	0	114.3	V113 A119	V113-S115 PolarHBondContact O-N 2.85Å; S115-A119 WeakPolarHBondContact O-CB 3.48Å; S115-A119 PolarHBondContact O-N 3.37Å
116	M	68.5	Low	73.1	Confident	9 Å²	9	60.9 Å²	60.9	4%	0.044	36%	0.364	C	S	.	.	H	α-helix	trans	-70	-38.9	176.6	-51.5	-163.3	-98.9	0	0	111.1	P108 V113 A118 A119 L120 A156 E157 N158 V159	P108-M116 HydrophobicContact CG-CE 4.36Å; V113-M116 HydrophobicContact CG1-CB 3.48Å; V113-M116 VanDerWaalsContact CG1-CB 3.48Å; V113-M116 HydrophobicContact CG1-CE 3.31Å; V113-M116 HydrophobicContact CG1-CG 3.52Å; V113-M116 HydrophobicContact CG1-SD 4.13Å; V113-M116 PolarHBondContact O-N 3.3Å; M116-A118 VanDerWaalsContact C-N 3.33Å; M116-A118 PolarHBondContact O-N 3.4Å; M116-A119 CarbonylContact O-C 3.54Å; M116-A119 PolarHBondContact O-N 2.99Å; M116-A119 VanDerWaalsContact O-N 3.11Å; M116-L120 WeakPolarHBondContact O-CB 3.42Å; M116-L120 WeakPolarHBondContact O-CD1 3.4Å; M116-L120 WeakPolarHBondContact O-CG 3.28Å; M116-L120 PolarHBondContact O-N 3.49Å; M116-A156 HydrophobicContact CE-CB 4.48Å; M116-A156 HydrophobicContact SD-CB 4.45Å; M116-E157 VanDerWaalsContact CE-O 3.27Å; M116-E157 WeakPolarHBondContact CE-O 3.45Å; M116-N158 WeakPolarHBondContact SD-CA 3.37Å; M116-V159 HydrophobicContact CG-CB 4.49Å; M116-V159 HydrophobicContact SD-CB 4.07Å; M116-V159 HydrophobicContact SD-CG2 3.73Å; M116-V159 PolarHBondContact SD-N 2.94Å
117	K	68.2	Low	73.2	Confident	53 Å²	53	59.1 Å²	59.1	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-48	175.2	-74.5	169.5	174	165.5	0	110.5	P109 E110 V113 A119 L120 C121	P109-K117 PolarHBondContact O-NZ 3.12Å; E110-K117 PolarHBondContact O-NZ 2.92Å; V113-K117 WeakPolarHBondContact O-CB 3.01Å; V113-K117 WeakPolarHBondContact O-CG 3.48Å; V113-K117 PolarHBondContact O-N 3.21Å; V113-K117 VanDerWaalsContact O-N 3.08Å; K117-A119 PolarHBondContact O-N 2.71Å; K117-L120 PolarHBondContact O-N 2.8Å; K117-C121 PolarHBondContact O-N 2.84Å; K117-C121 PolarHBondContact O-SG 2.71Å
118	A	67.1	Low	73.7	Confident	60 Å²	60	60.7 Å²	60.7	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-40.8	173.5	0	0	0	0	0	113.6	I114 M116 L120 C121	I114-A118 VanDerWaalsContact O-CB 3.32Å; I114-A118 WeakPolarHBondContact O-CB 3.43Å; I114-A118 PolarHBondContact O-N 3.04Å; M116-A118 VanDerWaalsContact C-N 3.33Å; M116-A118 PolarHBondContact O-N 3.4Å; A118-L120 PolarHBondContact O-N 3.04Å; A118-C121 PolarHBondContact O-N 2.69Å
119	A	68.8	Low	74.2	Confident	36 Å²	36	59.6 Å²	59.6	30%	0.298	36%	0.357	S	S	.	.	H	α-helix	trans	-69.5	-16.3	175.9	0	0	0	0	0	114.1	S115 M116 K117 V161	S115-A119 WeakPolarHBondContact O-CB 3.48Å; S115-A119 PolarHBondContact O-N 3.37Å; M116-A119 CarbonylContact O-C 3.54Å; M116-A119 PolarHBondContact O-N 2.99Å; M116-A119 VanDerWaalsContact O-N 3.11Å; K117-A119 PolarHBondContact O-N 2.71Å; A119-V161 HydrophobicContact CB-CG2 4.34Å
120	L	71.6	Confident	75.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-94	-27.5	176.8	-68.2	165.7	0	0	0	112.9	I107 M116 K117 A118 D122 L123 V159	I107-L120 HydrophobicContact CB-CD1 4.34Å; I107-L120 HydrophobicContact CD1-CD1 3.79Å; I107-L120 HydrophobicContact CD1-CD2 4.43Å; I107-L120 HydrophobicContact CG1-CD1 3.74Å; I107-L120 HydrophobicContact CG2-CD1 3.68Å; M116-L120 WeakPolarHBondContact O-CB 3.42Å; M116-L120 WeakPolarHBondContact O-CD1 3.4Å; M116-L120 WeakPolarHBondContact O-CG 3.28Å; M116-L120 PolarHBondContact O-N 3.49Å; K117-L120 PolarHBondContact O-N 2.8Å; A118-L120 PolarHBondContact O-N 3.04Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-D122 PolarHBondContact O-N 3.03Å; L120-L123 HydrophobicContact CD2-CD2 3.63Å; L120-L123 WeakPolarHBondContact O-CB 3.39Å; L120-L123 PolarHBondContact O-N 3.02Å; L120-V159 HydrophobicContact CD2-CG1 4.49Å
121	C	70.5	Confident	76.9	Confident	90 Å²	90	50.1 Å²	50.1	61%	0.608	30%	0.302	S	S	*	.	H	α-helix	trans	-56.6	-41.1	-176.9	-68.3	0	0	0	0	113.7	K117 A118	K117-C121 PolarHBondContact O-N 2.84Å; K117-C121 PolarHBondContact O-SG 2.71Å; A118-C121 PolarHBondContact O-N 2.69Å
122	D	72.8	Confident	78.9	Confident	138 Å²	138	44.9 Å²	44.9	74%	0.738	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.6	178.3	-69.4	-43	0	0	0	113.3	L120 S124 T164	L120-D122 VanDerWaalsContact C-N 3.32Å; L120-D122 PolarHBondContact O-N 3.03Å; D122-S124 PolarHBondContact O-N 2.89Å; D122-T164 WeakPolarHBondContact O-CG2 3.46Å
123	L	85.2	Confident	81.1	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.037	24%	0.244	C	C	.	.			trans	-82.8	103.4	-169.2	-169.7	66	0	0	0	112.5	V85 L88 L120 V129 V161	V85-L123 HydrophobicContact CG2-CD1 4.33Å; V85-L123 HydrophobicContact CG2-CD2 3.83Å; V85-L123 HydrophobicContact CG2-CG 4.07Å; L88-L123 VanDerWaalsContact CD2-O 3.28Å; L88-L123 WeakPolarHBondContact CD2-O 3.47Å; L120-L123 HydrophobicContact CD2-CD2 3.63Å; L120-L123 WeakPolarHBondContact O-CB 3.39Å; L120-L123 PolarHBondContact O-N 3.02Å; L123-V129 HydrophobicContact CD1-CG1 3.7Å; L123-V129 HydrophobicContact CD2-CG1 3.97Å; L123-V129 HydrophobicContact CG-CG1 4.49Å; L123-V161 HydrophobicContact CD1-CG1 4.04Å; L123-V161 HydrophobicContact CD1-CG2 4.09Å
124	S	90.2	Very high	83.1	Confident	36 Å²	36	42.1 Å²	42.1	25%	0.252	25%	0.254	S	S	.	.			trans	-81	156.4	176.7	64.4	0	0	0	0	113.4	D122 S127 C165	D122-S124 PolarHBondContact O-N 2.89Å; S124-S127 PolarHBondContact N-OG 2.61Å; S124-S127 WeakPolarHBondContact O-CB 3.48Å; S124-S127 PolarHBondContact O-N 2.84Å; S124-S127 VanDerWaalsContact O-N 3.11Å; S124-S127 PolarHBondContact O-OG 3.06Å; S124-S127 PolarHBondContact OG-OG 3.2Å; S124-C165 WeakPolarHBondContact CB-O 3.32Å; S124-C165 WeakPolarHBondContact OG-CA 3.33Å; S124-C165 WeakPolarHBondContact OG-CB 3.37Å; S124-C165 PolarHBondContact OG-N 2.69Å; S124-C165 PolarHBondContact OG-O 2.7Å
125	V	92.8	Very high	84.8	Confident	71 Å²	71	35.8 Å²	35.8	43%	0.43	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	142	167.3	172	0	0	0	0	110	V85 S127	V85-V125 WeakPolarHBondContact O-CA 3.19Å; V125-S127 PolarHBondContact O-N 2.87Å
126	E	95.6	Very high	86.4	Confident	5 Å²	5	35.7 Å²	35.7	2%	0.023	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.9	-169.9	-63.2	-68.3	142.5	0	0	116.3	V85 R97 C165 L168 I172 R192	V85-E126 PolarHBondContact O-N 2.76Å; R97-E126 IonicContact CZ-OE1 3.27Å; R97-E126 IonicContact CZ-OE2 3.71Å; R97-E126 IonicContact NH1-OE1 3.17Å; R97-E126 PolarHBondContact NH1-OE1 2.82Å; R97-E126 IonicContact NH2-OE1 2.67Å; R97-E126 PolarHBondContact NH2-OE1 2.96Å; R97-E126 IonicContact NH2-OE2 3.49Å; R97-E126 PolarHBondContact NH2-OE2 2.84Å; E126-C165 HydrophobicContact CB-CB 4.31Å; E126-L168 HydrophobicContact CB-CD1 3.71Å; E126-L168 HydrophobicContact CG-CD1 3.61Å; E126-I172 VanDerWaalsContact CD-CD1 3.41Å; E126-I172 HydrophobicContact CG-CD1 3.93Å; E126-I172 WeakPolarHBondContact OE2-CD1 3.49Å; E126-R192 VanDerWaalsContact OE2-CD 3.31Å; E126-R192 WeakPolarHBondContact OE2-CD 3.17Å; E126-R192 IonicContact OE2-CZ 3.77Å; E126-R192 IonicContact OE2-NE 2.92Å; E126-R192 IonicContact OE2-NH1 2.81Å; E126-R192 PolarHBondContact OE2-NH1 2.96Å
127	S	95.3	Very high	87.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.			trans	-66.1	151.2	163.5	-62.7	0	0	0	0	111.3	W84 V85 S124 V125 N163 T164 C165	W84-S127 CarbonylContact C-O 3.59Å; W84-S127 VanDerWaalsContact CA-O 3.32Å; W84-S127 WeakPolarHBondContact CA-O 3.37Å; V85-S127 PolarHBondContact N-O 3.4Å; S124-S127 PolarHBondContact N-OG 2.61Å; S124-S127 WeakPolarHBondContact O-CB 3.48Å; S124-S127 PolarHBondContact O-N 2.84Å; S124-S127 VanDerWaalsContact O-N 3.11Å; S124-S127 PolarHBondContact O-OG 3.06Å; S124-S127 PolarHBondContact OG-OG 3.2Å; V125-S127 PolarHBondContact O-N 2.87Å; S127-N163 CarbonylContact C-O 3.57Å; S127-N163 WeakPolarHBondContact CA-O 3.24Å; S127-N163 WeakPolarHBondContact CB-O 3.32Å; S127-T164 WeakPolarHBondContact OG-CA 3.43Å; S127-C165 PolarHBondContact OG-N 3.35Å
128	V	96.7	Very high	89.1	Confident	37 Å²	37	41.4 Å²	41.4	22%	0.224	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.4	-179.9	-168.4	0	0	0	0	109.7	G83 F162 N163	G83-V128 WeakPolarHBondContact O-CA 3.4Å; V128-F162 HydrophobicContact CB-CB 4.37Å; V128-F162 HydrophobicContact CG1-CB 4.3Å; V128-F162 HydrophobicContact CG1-CD2 4.16Å; V128-F162 PolarHBondContact O-N 3.03Å; V128-N163 HydrophobicContact CB-CB 4.31Å; V128-N163 HydrophobicContact CG2-CB 4.34Å; V128-N163 PolarHBondContact N-O 3.12Å; V128-N163 PolarHBondContact O-N 3.2Å
129	V	95.3	Very high	90.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.9	-179.3	-56.1	0	0	0	0	112.2	C82 G83 V85 I94 L96 L123 V131 V159 E160 V161	C82-V129 WeakPolarHBondContact CA-O 3.47Å; G83-V129 PolarHBondContact N-O 3.23Å; G83-V129 PolarHBondContact O-N 3.34Å; V85-V129 HydrophobicContact CG2-CG1 4.14Å; V85-V129 HydrophobicContact CG2-CG2 4.13Å; I94-V129 HydrophobicContact CD1-CG2 4.18Å; L96-V129 HydrophobicContact CD1-CG2 3.43Å; L96-V129 VanDerWaalsContact CD1-CG2 3.43Å; L123-V129 HydrophobicContact CD1-CG1 3.7Å; L123-V129 HydrophobicContact CD2-CG1 3.97Å; L123-V129 HydrophobicContact CG-CG1 4.49Å; V129-V131 HydrophobicContact CG2-CG2 4.22Å; V129-V159 HydrophobicContact CB-CG1 4.47Å; V129-E160 CarbonylContact C-O 3.52Å; V129-E160 WeakPolarHBondContact CA-O 3.49Å; V129-V161 HydrophobicContact CG1-CB 4.46Å; V129-V161 HydrophobicContact CG1-CG1 4.38Å; V129-V161 HydrophobicContact CG1-CG2 4.1Å
130	K	95.8	Very high	91.5	Very high	45 Å²	45	46.9 Å²	46.9	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.6	165.1	161.4	179.4	160.2	-150.4	0	108.3	F62 T80 L81 V159 E160 F162	F62-K130 HydrophobicContact CD2-CD 4.24Å; F62-K130 HydrophobicContact CE2-CD 4.39Å; T80-K130 HydrophobicContact CG2-CD 4.27Å; T80-K130 HydrophobicContact CG2-CG 3.9Å; L81-K130 CarbonylContact O-C 3.58Å; L81-K130 WeakPolarHBondContact O-CA 3.26Å; K130-V159 WeakPolarHBondContact O-CA 3.33Å; K130-E160 HydrophobicContact CB-CB 4.26Å; K130-E160 WeakPolarHBondContact CD-OE2 3.37Å; K130-E160 VanDerWaalsContact CE-OE2 3.3Å; K130-E160 WeakPolarHBondContact CE-OE2 3.5Å; K130-E160 PolarHBondContact N-O 3.11Å; K130-E160 IonicContact NZ-OE2 2.66Å; K130-E160 PolarHBondContact NZ-OE2 3.5Å; K130-E160 PolarHBondContact O-N 3.42Å; K130-F162 HydrophobicContact CB-CD2 4.34Å; K130-F162 HydrophobicContact CB-CE1 4.38Å; K130-F162 HydrophobicContact CB-CE2 3.57Å; K130-F162 HydrophobicContact CB-CZ 3.6Å; K130-F162 HydrophobicContact CD-CE1 4.37Å; K130-F162 HydrophobicContact CD-CE2 4.37Å; K130-F162 HydrophobicContact CD-CZ 3.65Å; K130-F162 HydrophobicContact CG-CZ 4.3Å
131	V	95.2	Very high	92.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.2	178.6	177.7	0	0	0	0	107.8	T80 L81 I94 L96 V105 V129 V154 A156 N158 V159	T80-V131 CarbonylContact C-O 3.43Å; T80-V131 VanDerWaalsContact CA-O 3.28Å; T80-V131 WeakPolarHBondContact CA-O 3.46Å; L81-V131 PolarHBondContact N-O 3.44Å; L81-V131 PolarHBondContact O-N 2.94Å; I94-V131 HydrophobicContact CD1-CG2 4.37Å; L96-V131 HydrophobicContact CD2-CG2 4.11Å; V105-V131 HydrophobicContact CG1-CG1 3.63Å; V105-V131 HydrophobicContact CG1-CG2 4.28Å; V105-V131 HydrophobicContact CG2-CG1 4.24Å; V105-V131 HydrophobicContact CG2-CG2 4.37Å; V129-V131 HydrophobicContact CG2-CG2 4.22Å; V131-V154 HydrophobicContact CG1-CG1 4.46Å; V131-A156 HydrophobicContact CG1-CB 4.33Å; V131-N158 WeakPolarHBondContact CA-O 3.46Å; V131-V159 HydrophobicContact CG2-CG2 4.34Å
132	T	96.3	Very high	93.5	Very high	26 Å²	26	51.5 Å²	51.5	16%	0.16	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.8	163.6	-60.5	0	0	0	0	108.5	V79 T80 E157 N158	V79-T132 WeakPolarHBondContact O-CA 3.5Å; T80-T132 PolarHBondContact OG1-OG1 3.16Å; T132-E157 PolarHBondContact O-N 2.82Å; T132-N158 PolarHBondContact N-O 3.09Å; T132-N158 PolarHBondContact O-N 3.05Å
133	G	96.1	Very high	94.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-176.8	-176.3	0	0	0	0	0	112.9	K78 V79 L155 E157	K78-G133 WeakPolarHBondContact CA-O 3.49Å; V79-G133 PolarHBondContact N-O 3.09Å; V79-G133 PolarHBondContact O-N 3.18Å; G133-L155 CarbonylContact C-O 3.59Å; G133-L155 WeakPolarHBondContact CA-O 3.4Å; G133-E157 VanDerWaalsContact C-OE1 3.28Å; G133-E157 WeakPolarHBondContact CA-OE1 3.37Å
134	T	97.9	Very high	94.9	Very high	45 Å²	45	51.2 Å²	51.2	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.5	-178.5	-65.9	0	0	0	0	110.8	E77 L155 E157	E77-T134 WeakPolarHBondContact O-CA 3.36Å; T134-L155 PolarHBondContact N-O 3.11Å; T134-L155 PolarHBondContact O-N 3.41Å; T134-E157 PolarHBondContact N-OE1 3.35Å; T134-E157 PolarHBondContact OG1-OE1 3.09Å
135	V	98.3	Very high	95.1	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.4	179.2	-177.1	0	0	0	0	110	L70 H74 V75 G76 E77 V79 V152 V154	L70-V135 HydrophobicContact CD1-CG2 4.07Å; L70-V135 HydrophobicContact CD2-CG2 4.19Å; H74-V135 HydrophobicContact CB-CG1 4.32Å; H74-V135 WeakPolarHBondContact O-CB 3.42Å; V75-V135 HydrophobicContact CG2-CG1 4.45Å; G76-V135 PolarHBondContact N-O 3.3Å; E77-V135 PolarHBondContact O-N 3.29Å; V79-V135 HydrophobicContact CB-CG2 4.3Å; V79-V135 HydrophobicContact CG1-CG2 3.58Å; V79-V135 HydrophobicContact CG2-CG2 3.67Å; V135-V152 HydrophobicContact CG1-CB 4.24Å; V135-V152 HydrophobicContact CG1-CG1 4.38Å; V135-V154 HydrophobicContact CG2-CG2 4.24Å
136	R	97.3	Very high	95	Very high	89 Å²	89	60.2 Å²	60.2	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	162.8	173.2	66.2	-178.7	-153.7	171.7	16	111.5	V152 E153	R136-V152 VanDerWaalsContact O-CA 3.27Å; R136-V152 WeakPolarHBondContact O-CA 3.48Å; R136-V152 WeakPolarHBondContact O-CB 3.3Å; R136-E153 HydrophobicContact CG-CG 3.78Å; R136-E153 IonicContact CZ-OE1 2.8Å; R136-E153 PolarHBondContact N-O 3.19Å; R136-E153 IonicContact NE-OE1 2.67Å; R136-E153 PolarHBondContact NE-OE1 3.18Å; R136-E153 IonicContact NH2-OE1 3.89Å; R136-E153 PolarHBondContact NH2-OE1 3.02Å; R136-E153 PolarHBondContact O-N 3.03Å
137	R	97.1	Very high	94.8	Very high	169 Å²	169	61.1 Å²	61.1	64%	0.638	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	149.9	164	-66.8	-170.2	179	-154.6	-1	109.6	V75 D151	V75-R137 HydrophobicContact CG1-CG 4.39Å; V75-R137 HydrophobicContact CG2-CG 3.87Å; R137-D151 WeakPolarHBondContact CA-O 3.3Å
138	R	95.4	Very high	94.8	Very high	13 Å²	13	65.6 Å²	65.6	5%	0.049	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-68.6	156.9	164.6	-60.7	-172.4	-167.7	-150.4	-0.5	109.9	Q104 Q142 G150 D151 V152 E153	Q104-R138 VanDerWaalsContact CB-NH2 3.35Å; R138-Q142 HydrophobicContact CB-CB 4.38Å; R138-Q142 WeakPolarHBondContact CD-O 3.38Å; R138-G150 WeakPolarHBondContact CD-O 3.35Å; R138-G150 PolarHBondContact NE-O 3.06Å; R138-D151 PolarHBondContact N-O 3.27Å; R138-V152 PolarHBondContact NE-O 2.94Å; R138-V152 PolarHBondContact NH2-O 2.97Å; R138-V152 VanDerWaalsContact NH2-O 3.15Å; R138-E153 HydrophobicContact CG-CB 4.29Å; R138-E153 HydrophobicContact CG-CG 4.16Å
139	P	93.9	Very high	94.8	Very high	55 Å²	55	63.9 Å²	63.9	36%	0.357	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.5	144	168.8	-20.1	32.7	0	0	0	111.2	G141 Q142	P139-G141 PolarHBondContact O-N 2.7Å; P139-Q142 HydrophobicContact CB-CG 4.37Å; P139-Q142 WeakPolarHBondContact O-CB 3.29Å; P139-Q142 PolarHBondContact O-N 2.9Å
140	D	91.9	Very high	94.9	Very high	157 Å²	157	64 Å²	64	84%	0.84	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	128	178	-57.2	1	0	0	0	111.4
141	G	91.4	Very high	94.9	Very high	71 Å²	71	65.8 Å²	65.8	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	1.2	-175.9	0	0	0	0	0	115.5	P139 E143	P139-G141 PolarHBondContact O-N 2.7Å; G141-E143 VanDerWaalsContact C-OE2 3.29Å; G141-E143 WeakPolarHBondContact CA-OE2 3.11Å; G141-E143 PolarHBondContact N-OE1 2.87Å; G141-E143 PolarHBondContact N-OE2 3.26Å
142	Q	92.8	Very high	95.1	Very high	116 Å²	116	65.9 Å²	65.9	54%	0.542	36%	0.356	S	S	.	.			trans	-108.6	11.4	173.2	-54.7	-168.8	30	0	0	113.5	R138 P139 N144	R138-Q142 HydrophobicContact CB-CB 4.38Å; R138-Q142 WeakPolarHBondContact CD-O 3.38Å; P139-Q142 HydrophobicContact CB-CG 4.37Å; P139-Q142 WeakPolarHBondContact O-CB 3.29Å; P139-Q142 PolarHBondContact O-N 2.9Å; Q142-N144 PolarHBondContact O-N 2.92Å
143	E	94.6	Very high	95.1	Very high	77 Å²	77	64.8 Å²	64.8	36%	0.36	35%	0.35	S	S	.	.			trans	-72.1	120.3	179.6	-47.7	89.6	154.2	0	0	111.3	G141 K145 G150	G141-E143 VanDerWaalsContact C-OE2 3.29Å; G141-E143 WeakPolarHBondContact CA-OE2 3.11Å; G141-E143 PolarHBondContact N-OE1 2.87Å; G141-E143 PolarHBondContact N-OE2 3.26Å; E143-K145 PolarHBondContact O-N 2.77Å; E143-G150 CarbonylContact C-O 3.56Å; E143-G150 WeakPolarHBondContact CA-O 3.33Å
144	N	93.6	Very high	95.2	Very high	63 Å²	63	64.8 Å²	64.8	34%	0.337	35%	0.35	S	S	.	.			trans	-89	90.3	-178.8	-173.1	-4.8	0	0	0	111.7	Q142 A146 M147 G150	Q142-N144 PolarHBondContact O-N 2.92Å; N144-A146 PolarHBondContact O-N 2.93Å; N144-A146 WeakPolarHBondContact OD1-CB 3.47Å; N144-A146 PolarHBondContact OD1-N 2.64Å; N144-A146 VanDerWaalsContact OD1-N 3.08Å; N144-M147 HydrophobicContact CB-CB 4.38Å; N144-M147 HydrophobicContact CB-SD 4.41Å; N144-M147 PolarHBondContact ND2-SD 3.06Å; N144-M147 PolarHBondContact O-N 2.95Å; N144-G150 PolarHBondContact N-O 3.32Å; N144-G150 VanDerWaalsContact O-CA 3.24Å; N144-G150 WeakPolarHBondContact O-CA 3.42Å
145	K	93.8	Very high	95.1	Very high	203 Å²	203	65.3 Å²	65.3	88%	0.883	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.7	178.8	-62.2	179.7	-178	177	0	115.3	E143	E143-K145 PolarHBondContact O-N 2.77Å
146	A	90.6	Very high	94.9	Very high	92 Å²	92	65.4 Å²	65.4	76%	0.76	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.1	173.2	0	0	0	0	0	113.9	N144	N144-A146 PolarHBondContact O-N 2.93Å; N144-A146 WeakPolarHBondContact OD1-CB 3.47Å; N144-A146 PolarHBondContact OD1-N 2.64Å; N144-A146 VanDerWaalsContact OD1-N 3.08Å
147	M	92.3	Very high	94.6	Very high	24 Å²	24	65.1 Å²	65.1	12%	0.118	35%	0.353	C	S	.	.	S	Bend	trans	-118.1	134.1	176.9	-75	176.5	52.8	0	0	110.7	L102 N144 T149 G150	L102-M147 HydrophobicContact CB-CE 3.79Å; N144-M147 HydrophobicContact CB-CB 4.38Å; N144-M147 HydrophobicContact CB-SD 4.41Å; N144-M147 PolarHBondContact ND2-SD 3.06Å; N144-M147 PolarHBondContact O-N 2.95Å; M147-T149 WeakPolarHBondContact CE-OG1 3.03Å; M147-T149 PolarHBondContact O-N 3.29Å; M147-G150 VanDerWaalsContact O-CA 3.3Å; M147-G150 WeakPolarHBondContact O-CA 3.42Å; M147-G150 PolarHBondContact O-N 3.32Å
148	P	94.9	Very high	94.3	Very high	95 Å²	95	60.9 Å²	60.9	62%	0.617	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.2	173.2	-25	35.3	0	0	0	114.3	R71 G150	R71-P148 VanDerWaalsContact CD-O 3.23Å; R71-P148 WeakPolarHBondContact CD-O 3.19Å; R71-P148 PolarHBondContact NE-O 2.87Å; R71-P148 PolarHBondContact NH1-O 3.27Å; P148-G150 VanDerWaalsContact C-N 3.33Å
149	T	97.3	Very high	94	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	15.7	172.8	60.5	0	0	0	0	111.7	L70 L102 M147 D151 V152	L70-T149 WeakPolarHBondContact O-CG2 3.24Å; L102-T149 WeakPolarHBondContact O-CB 3.48Å; L102-T149 VanDerWaalsContact O-CG2 3.24Å; L102-T149 WeakPolarHBondContact O-CG2 3.14Å; L102-T149 PolarHBondContact O-OG1 3.09Å; M147-T149 WeakPolarHBondContact CE-OG1 3.03Å; M147-T149 PolarHBondContact O-N 3.29Å; T149-D151 VanDerWaalsContact C-N 3.31Å; T149-D151 PolarHBondContact O-N 3.3Å; T149-V152 WeakPolarHBondContact O-CG2 3.48Å; T149-V152 PolarHBondContact O-N 3.05Å; T149-V152 VanDerWaalsContact O-N 3.15Å
150	G	96.4	Very high	93.9	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28.8	-167.5	0	0	0	0	0	115.7	R138 E143 N144 M147 P148 V152	R138-G150 WeakPolarHBondContact CD-O 3.35Å; R138-G150 PolarHBondContact NE-O 3.06Å; E143-G150 CarbonylContact C-O 3.56Å; E143-G150 WeakPolarHBondContact CA-O 3.33Å; N144-G150 PolarHBondContact N-O 3.32Å; N144-G150 VanDerWaalsContact O-CA 3.24Å; N144-G150 WeakPolarHBondContact O-CA 3.42Å; M147-G150 VanDerWaalsContact O-CA 3.3Å; M147-G150 WeakPolarHBondContact O-CA 3.42Å; M147-G150 PolarHBondContact O-N 3.32Å; P148-G150 VanDerWaalsContact C-N 3.33Å; G150-V152 VanDerWaalsContact C-N 3.32Å
151	D	97	Very high	93.9	Very high	84 Å²	84	56.4 Å²	56.4	45%	0.449	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.3	179.6	-55.6	-13.1	0	0	0	112.9	S72 R137 R138 T149	S72-D151 WeakPolarHBondContact OG-CB 3.23Å; S72-D151 PolarHBondContact OG-OD2 2.76Å; R137-D151 WeakPolarHBondContact CA-O 3.3Å; R138-D151 PolarHBondContact N-O 3.27Å; T149-D151 VanDerWaalsContact C-N 3.31Å; T149-D151 PolarHBondContact O-N 3.3Å
152	V	97.9	Very high	94.1	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.2	-168.1	-66.2	0	0	0	0	113.2	L70 V75 V135 R136 R138 T149 G150	L70-V152 HydrophobicContact CB-CG2 4.25Å; V75-V152 HydrophobicContact CG2-CG1 3.9Å; V135-V152 HydrophobicContact CG1-CB 4.24Å; V135-V152 HydrophobicContact CG1-CG1 4.38Å; R136-V152 VanDerWaalsContact O-CA 3.27Å; R136-V152 WeakPolarHBondContact O-CA 3.48Å; R136-V152 WeakPolarHBondContact O-CB 3.3Å; R138-V152 PolarHBondContact NE-O 2.94Å; R138-V152 PolarHBondContact NH2-O 2.97Å; R138-V152 VanDerWaalsContact NH2-O 3.15Å; T149-V152 WeakPolarHBondContact O-CG2 3.48Å; T149-V152 PolarHBondContact O-N 3.05Å; T149-V152 VanDerWaalsContact O-N 3.15Å; G150-V152 VanDerWaalsContact C-N 3.32Å
153	E	97.6	Very high	94.1	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.019	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.5	170.4	61.2	-178.8	179.7	0	0	110	Q104 R136 R138	Q104-E153 HydrophobicContact CB-CB 4.08Å; Q104-E153 HydrophobicContact CG-CB 4.14Å; Q104-E153 PolarHBondContact NE2-OE2 3.4Å; Q104-E153 CarbonylContact O-C 3.6Å; Q104-E153 WeakPolarHBondContact O-CA 3.16Å; Q104-E153 WeakPolarHBondContact O-CB 3.37Å; R136-E153 HydrophobicContact CG-CG 3.78Å; R136-E153 IonicContact CZ-OE1 2.8Å; R136-E153 PolarHBondContact N-O 3.19Å; R136-E153 IonicContact NE-OE1 2.67Å; R136-E153 PolarHBondContact NE-OE1 3.18Å; R136-E153 IonicContact NH2-OE1 3.89Å; R136-E153 PolarHBondContact NH2-OE1 3.02Å; R136-E153 PolarHBondContact O-N 3.03Å; R138-E153 HydrophobicContact CG-CB 4.29Å; R138-E153 HydrophobicContact CG-CG 4.16Å
154	V	97.6	Very high	94.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.4	172.8	178.5	0	0	0	0	108.8	L70 V79 L81 T103 Q104 V105 L106 V131 V135 A156	L70-V154 HydrophobicContact CD1-CG2 3.65Å; V79-V154 HydrophobicContact CG2-CG1 4.13Å; V79-V154 HydrophobicContact CG2-CG2 3.87Å; L81-V154 HydrophobicContact CD1-CG2 4Å; T103-V154 HydrophobicContact CG2-CG2 3.95Å; Q104-V154 PolarHBondContact O-N 2.68Å; V105-V154 CarbonylContact C-O 3.45Å; V105-V154 VanDerWaalsContact CA-O 3.31Å; V105-V154 WeakPolarHBondContact CA-O 3.32Å; V105-V154 HydrophobicContact CG2-CB 4.37Å; L106-V154 PolarHBondContact N-O 3.08Å; V131-V154 HydrophobicContact CG1-CG1 4.46Å; V135-V154 HydrophobicContact CG2-CG2 4.24Å; V154-A156 PolarHBondContact O-N 3.44Å
155	L	95.5	Very high	94.1	Very high	55 Å²	55	55 Å²	55	29%	0.288	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.1	167.7	-178.7	64.2	0	0	0	108.5	L106 P108 G133 T134 E157	L106-L155 HydrophobicContact CD2-CD1 4.23Å; P108-L155 HydrophobicContact CB-CD1 4.25Å; G133-L155 CarbonylContact C-O 3.59Å; G133-L155 WeakPolarHBondContact CA-O 3.4Å; T134-L155 PolarHBondContact N-O 3.11Å; T134-L155 PolarHBondContact O-N 3.41Å; L155-E157 PolarHBondContact O-N 3.15Å
156	A	93.6	Very high	94.1	Very high	3 Å²	3	54.5 Å²	54.5	3%	0.025	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	130.5	-176.6	0	0	0	0	0	112.2	V105 L106 I107 P108 M116 V131 V154 V159	V105-A156 HydrophobicContact CG1-CB 3.88Å; L106-A156 WeakPolarHBondContact O-CB 3.27Å; L106-A156 PolarHBondContact O-N 3.16Å; I107-A156 HydrophobicContact CD1-CB 4.09Å; P108-A156 WeakPolarHBondContact CD-O 3.19Å; M116-A156 HydrophobicContact CE-CB 4.48Å; M116-A156 HydrophobicContact SD-CB 4.45Å; V131-A156 HydrophobicContact CG1-CB 4.33Å; V154-A156 PolarHBondContact O-N 3.44Å; A156-V159 HydrophobicContact CB-CG2 4.19Å
157	E	92.5	Very high	94.2	Very high	83 Å²	83	59.8 Å²	59.8	39%	0.388	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-28.9	171	-66	170.4	-125.9	0	0	111.7	K78 M116 T132 G133 T134 L155	K78-E157 VanDerWaalsContact CE-OE2 3.25Å; K78-E157 WeakPolarHBondContact CE-OE2 3.47Å; K78-E157 IonicContact NZ-OE1 3.45Å; K78-E157 IonicContact NZ-OE2 3.99Å; K78-E157 PolarHBondContact NZ-OE2 2.8Å; M116-E157 VanDerWaalsContact CE-O 3.27Å; M116-E157 WeakPolarHBondContact CE-O 3.45Å; T132-E157 PolarHBondContact O-N 2.82Å; G133-E157 VanDerWaalsContact C-OE1 3.28Å; G133-E157 WeakPolarHBondContact CA-OE1 3.37Å; T134-E157 PolarHBondContact N-OE1 3.35Å; T134-E157 PolarHBondContact OG1-OE1 3.09Å; L155-E157 PolarHBondContact O-N 3.15Å
158	N	89.8	Confident	94.3	Very high	81 Å²	81	60.5 Å²	60.5	43%	0.433	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142.2	171.9	-172.9	24.7	0	0	0	110.7	M116 V131 T132	M116-N158 WeakPolarHBondContact SD-CA 3.37Å; V131-N158 WeakPolarHBondContact CA-O 3.46Å; T132-N158 PolarHBondContact N-O 3.09Å; T132-N158 PolarHBondContact O-N 3.05Å
159	V	90.2	Very high	94.2	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.048	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.2	173.6	179	0	0	0	0	108.6	M116 L120 V129 K130 V131 A156	M116-V159 HydrophobicContact CG-CB 4.49Å; M116-V159 HydrophobicContact SD-CB 4.07Å; M116-V159 HydrophobicContact SD-CG2 3.73Å; M116-V159 PolarHBondContact SD-N 2.94Å; L120-V159 HydrophobicContact CD2-CG1 4.49Å; V129-V159 HydrophobicContact CB-CG1 4.47Å; K130-V159 WeakPolarHBondContact O-CA 3.33Å; V131-V159 HydrophobicContact CG2-CG2 4.34Å; A156-V159 HydrophobicContact CB-CG2 4.19Å
160	E	91.3	Very high	94	Very high	75 Å²	75	59.5 Å²	59.5	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.8	179.6	-179	179.7	170.9	0	0	108.6	V129 K130 F162	V129-E160 CarbonylContact C-O 3.52Å; V129-E160 WeakPolarHBondContact CA-O 3.49Å; K130-E160 HydrophobicContact CB-CB 4.26Å; K130-E160 WeakPolarHBondContact CD-OE2 3.37Å; K130-E160 VanDerWaalsContact CE-OE2 3.3Å; K130-E160 WeakPolarHBondContact CE-OE2 3.5Å; K130-E160 PolarHBondContact N-O 3.11Å; K130-E160 IonicContact NZ-OE2 2.66Å; K130-E160 PolarHBondContact NZ-OE2 3.5Å; K130-E160 PolarHBondContact O-N 3.42Å; E160-F162 HydrophobicContact CG-CD1 4.3Å; E160-F162 HydrophobicContact CG-CE1 4.07Å; E160-F162 WeakPolarHBondContact OE1-CE1 3.41Å
161	V	92.4	Very high	93.7	Very high	48 Å²	48	64.2 Å²	64.2	29%	0.291	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.5	179.5	-175.6	0	0	0	0	109.1	A119 L123 V129	A119-V161 HydrophobicContact CB-CG2 4.34Å; L123-V161 HydrophobicContact CD1-CG1 4.04Å; L123-V161 HydrophobicContact CD1-CG2 4.09Å; V129-V161 HydrophobicContact CG1-CB 4.46Å; V129-V161 HydrophobicContact CG1-CG1 4.38Å; V129-V161 HydrophobicContact CG1-CG2 4.1Å
162	F	93.8	Very high	93.4	Very high	89 Å²	89	60.6 Å²	60.6	39%	0.39	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-35.9	177.5	-68	-40	0	0	0	112.6	F62 V128 K130 E160	F62-F162 AromaticContact CE2-CE2 3.74Å; F62-F162 HydrophobicContact CE2-CE2 3.74Å; F62-F162 AromaticContact CE2-CZ 3.62Å; F62-F162 HydrophobicContact CE2-CZ 3.62Å; F62-F162 HydrophobicContact CZ-CE2 4.02Å; F62-F162 AromaticContact CZ-CZ 3.94Å; F62-F162 HydrophobicContact CZ-CZ 3.94Å; V128-F162 HydrophobicContact CB-CB 4.37Å; V128-F162 HydrophobicContact CG1-CB 4.3Å; V128-F162 HydrophobicContact CG1-CD2 4.16Å; V128-F162 PolarHBondContact O-N 3.03Å; K130-F162 HydrophobicContact CB-CD2 4.34Å; K130-F162 HydrophobicContact CB-CE1 4.38Å; K130-F162 HydrophobicContact CB-CE2 3.57Å; K130-F162 HydrophobicContact CB-CZ 3.6Å; K130-F162 HydrophobicContact CD-CE1 4.37Å; K130-F162 HydrophobicContact CD-CE2 4.37Å; K130-F162 HydrophobicContact CD-CZ 3.65Å; K130-F162 HydrophobicContact CG-CZ 4.3Å; E160-F162 HydrophobicContact CG-CD1 4.3Å; E160-F162 HydrophobicContact CG-CE1 4.07Å; E160-F162 WeakPolarHBondContact OE1-CE1 3.41Å
163	N	94.6	Very high	92.7	Very high	108 Å²	108	63.9 Å²	63.9	58%	0.578	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.3	120.3	-178.7	-161.4	-21.2	0	0	0	111.9	S127 V128	S127-N163 CarbonylContact C-O 3.57Å; S127-N163 WeakPolarHBondContact CA-O 3.24Å; S127-N163 WeakPolarHBondContact CB-O 3.32Å; V128-N163 HydrophobicContact CB-CB 4.31Å; V128-N163 HydrophobicContact CG2-CB 4.34Å; V128-N163 PolarHBondContact N-O 3.12Å; V128-N163 PolarHBondContact O-N 3.2Å
164	T	93.8	Very high	91.6	Very high	74 Å²	74	69.1 Å²	69.1	45%	0.454	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-82.5	133.5	178.2	-49.6	0	0	0	0	111.2	D122 S127	D122-T164 WeakPolarHBondContact O-CG2 3.46Å; S127-T164 WeakPolarHBondContact OG-CA 3.43Å
165	C	93.8	Very high	90.5	Very high	27 Å²	27	77.1 Å²	77.1	18%	0.182	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-86.1	137.6	-176.3	-148.6	0	0	0	0	112.9	S124 E126 S127	S124-C165 WeakPolarHBondContact CB-O 3.32Å; S124-C165 WeakPolarHBondContact OG-CA 3.33Å; S124-C165 WeakPolarHBondContact OG-CB 3.37Å; S124-C165 PolarHBondContact OG-N 2.69Å; S124-C165 PolarHBondContact OG-O 2.7Å; E126-C165 HydrophobicContact CB-CB 4.31Å; S127-C165 PolarHBondContact OG-N 3.35Å
166	R	93.2	Very high	89.7	Confident	191 Å²	191	76.6 Å²	76.6	72%	0.721	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-73.1	162.1	163.8	68.3	177.9	-179	-174.6	-1.5	110.6	L168	R166-L168 PolarHBondContact O-N 2.95Å; R166-L168 VanDerWaalsContact O-N 3.17Å
167	K	92.8	Very high	89.2	Confident	203 Å²	203	86.4 Å²	86.4	88%	0.883	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-52.3	123.8	170.5	-174.8	176	-179.1	178.3	0	110.4
168	L	94.1	Very high	88.9	Confident	39 Å²	39	84.6 Å²	84.6	20%	0.204	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-86.1	156.8	-177	-66.9	-172.1	0	0	0	112.6	E126 R166 F170 I172 L189	E126-L168 HydrophobicContact CB-CD1 3.71Å; E126-L168 HydrophobicContact CG-CD1 3.61Å; R166-L168 PolarHBondContact O-N 2.95Å; R166-L168 VanDerWaalsContact O-N 3.17Å; L168-F170 VanDerWaalsContact C-N 3.26Å; L168-F170 WeakPolarHBondContact CB-O 3.38Å; L168-F170 PolarHBondContact O-N 2.84Å; L168-I172 HydrophobicContact CD1-CD1 4.45Å; L168-L189 HydrophobicContact CD1-CD1 4.22Å; L168-L189 HydrophobicContact CD1-CD2 4.25Å; L168-L189 HydrophobicContact CD2-CD1 3.84Å; L168-L189 HydrophobicContact CD2-CD2 4.26Å; L168-L189 HydrophobicContact CG-CD1 4.43Å
169	P	93.6	Very high	89	Confident	58 Å²	58	83.7 Å²	83.7	38%	0.377	41%	0.405	S	S	.	.	S	Bend	trans	-69.8	-20.9	177	29	-36.6	0	0	0	113.6	L182 Y186 L189	P169-L182 HydrophobicContact CB-CD1 4.49Å; P169-Y186 HydrophobicContact CB-CD2 3.98Å; P169-Y186 HydrophobicContact CB-CE2 3.75Å; P169-Y186 HydrophobicContact CB-CG 4.45Å; P169-Y186 HydrophobicContact CG-CD1 3.75Å; P169-Y186 HydrophobicContact CG-CD2 3.57Å; P169-Y186 HydrophobicContact CG-CE1 3.92Å; P169-Y186 HydrophobicContact CG-CE2 3.74Å; P169-Y186 HydrophobicContact CG-CG 3.57Å; P169-L189 HydrophobicContact CG-CD1 4.02Å
170	F	93.3	Very high	89.1	Confident	18 Å²	18	87.5 Å²	87.5	8%	0.079	42%	0.423	C	S	.	.	S	Bend	trans	-152	161.9	170.8	54.9	-109.6	0	0	0	110.9	L168 I172 K178 L182 L189 D190	L168-F170 VanDerWaalsContact C-N 3.26Å; L168-F170 WeakPolarHBondContact CB-O 3.38Å; L168-F170 PolarHBondContact O-N 2.84Å; F170-I172 HydrophobicContact CE2-CG1 4.27Å; F170-K178 HydrophobicContact CB-CD 4.32Å; F170-K178 HydrophobicContact CB-CG 4.25Å; F170-K178 HydrophobicContact CD1-CD 4.25Å; F170-K178 HydrophobicContact CD1-CG 4.5Å; F170-K178 HydrophobicContact CD2-CD 3.87Å; F170-K178 HydrophobicContact CE2-CD 4.2Å; F170-K178 HydrophobicContact CG-CD 3.9Å; F170-K178 HydrophobicContact CG-CG 4.26Å; F170-L182 HydrophobicContact CB-CD2 4.5Å; F170-L182 HydrophobicContact CD1-CD2 3.81Å; F170-L182 HydrophobicContact CD1-CG 3.88Å; F170-L182 HydrophobicContact CE1-CG 4.26Å; F170-L189 HydrophobicContact CE2-CB 3.87Å; F170-L189 HydrophobicContact CZ-CB 3.83Å; F170-D190 HydrophobicContact CZ-CB 4.13Å
171	E	90.3	Very high	89.2	Confident	99 Å²	99	87 Å²	87	46%	0.463	43%	0.428	S	S	.	.			trans	-81.2	146	172	-60.2	-170.5	160.2	0	0	112.1	K173 V176 K178	E171-K173 HydrophobicContact CB-CG 4.44Å; E171-K173 VanDerWaalsContact CD-NZ 3.35Å; E171-K173 PolarHBondContact O-N 2.95Å; E171-K173 IonicContact OE1-NZ 3.01Å; E171-K173 PolarHBondContact OE1-NZ 2.75Å; E171-K173 VanDerWaalsContact OE2-CD 3.29Å; E171-K173 WeakPolarHBondContact OE2-CD 3.47Å; E171-K173 WeakPolarHBondContact OE2-CE 3.44Å; E171-K173 IonicContact OE2-NZ 3.79Å; E171-K173 PolarHBondContact OE2-NZ 2.93Å; E171-V176 HydrophobicContact CB-CG2 4.42Å; E171-K178 WeakPolarHBondContact O-CE 3.43Å; E171-K178 PolarHBondContact O-NZ 3.46Å
172	I	89.6	Confident	89.3	Confident	8 Å²	8	87 Å²	87	4%	0.041	43%	0.426	C	S	.	.			trans	-92.8	81.3	170.4	-64.7	154.3	0	0	0	107.5	Q86 E126 L168 F170 L189 R192	Q86-I172 PolarHBondContact NE2-O 3.12Å; E126-I172 VanDerWaalsContact CD-CD1 3.41Å; E126-I172 HydrophobicContact CG-CD1 3.93Å; E126-I172 WeakPolarHBondContact OE2-CD1 3.49Å; L168-I172 HydrophobicContact CD1-CD1 4.45Å; F170-I172 HydrophobicContact CE2-CG1 4.27Å; I172-L189 HydrophobicContact CD1-CB 4.28Å; I172-R192 HydrophobicContact CD1-CB 3.92Å; I172-R192 HydrophobicContact CD1-CG 4.29Å; I172-R192 HydrophobicContact CG2-CB 4.18Å
173	K	83.9	Confident	89.4	Confident	71 Å²	71	85 Å²	85	31%	0.309	42%	0.416	S	S	.	.			trans	-142.9	140.6	171.5	-60.3	179.6	-167.8	153.3	0	108	E171 F175 V176	E171-K173 HydrophobicContact CB-CG 4.44Å; E171-K173 VanDerWaalsContact CD-NZ 3.35Å; E171-K173 PolarHBondContact O-N 2.95Å; E171-K173 IonicContact OE1-NZ 3.01Å; E171-K173 PolarHBondContact OE1-NZ 2.75Å; E171-K173 VanDerWaalsContact OE2-CD 3.29Å; E171-K173 WeakPolarHBondContact OE2-CD 3.47Å; E171-K173 WeakPolarHBondContact OE2-CE 3.44Å; E171-K173 IonicContact OE2-NZ 3.79Å; E171-K173 PolarHBondContact OE2-NZ 2.93Å; K173-F175 HydrophobicContact CB-CD1 4.33Å; K173-F175 HydrophobicContact CB-CE1 3.94Å; K173-F175 HydrophobicContact CB-CZ 4.06Å; K173-F175 HydrophobicContact CD-CE1 3.99Å; K173-F175 HydrophobicContact CD-CE2 4.33Å; K173-F175 HydrophobicContact CD-CZ 3.55Å; K173-F175 HydrophobicContact CG-CE1 4.48Å; K173-F175 HydrophobicContact CG-CZ 4.42Å; K173-F175 PolarHBondContact O-N 3.02Å; K173-V176 HydrophobicContact CB-CG2 4.04Å; K173-V176 PolarHBondContact O-N 2.79Å
174	D	74.9	Confident	89.4	Confident	114 Å²	114	80.4 Å²	80.4	61%	0.61	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-23	-164.7	-59.5	-21.8	0	0	0	113.7	V176 S194	D174-V176 VanDerWaalsContact C-N 3.31Å; D174-V176 PolarHBondContact O-N 3.36Å; D174-S194 PolarHBondContact OD1-OG 2.93Å; D174-S194 WeakPolarHBondContact OD2-CB 3.34Å; D174-S194 PolarHBondContact OD2-OG 3.13Å
175	F	73.5	Confident	89.6	Confident	167 Å²	167	80.1 Å²	80.1	73%	0.732	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-8.2	175	59.2	-100.1	0	0	0	114.3	K173 K177	K173-F175 HydrophobicContact CB-CD1 4.33Å; K173-F175 HydrophobicContact CB-CE1 3.94Å; K173-F175 HydrophobicContact CB-CZ 4.06Å; K173-F175 HydrophobicContact CD-CE1 3.99Å; K173-F175 HydrophobicContact CD-CE2 4.33Å; K173-F175 HydrophobicContact CD-CZ 3.55Å; K173-F175 HydrophobicContact CG-CE1 4.48Å; K173-F175 HydrophobicContact CG-CZ 4.42Å; K173-F175 PolarHBondContact O-N 3.02Å; F175-K177 PolarHBondContact O-N 2.13Å
176	V	79.3	Confident	89.7	Confident	44 Å²	44	81.5 Å²	81.5	27%	0.267	39%	0.386	S	S	.	.			trans	-83.7	101.1	-178.2	178.1	0	0	0	0	109.6	E171 K173 D174 K178	E171-V176 HydrophobicContact CB-CG2 4.42Å; K173-V176 HydrophobicContact CB-CG2 4.04Å; K173-V176 PolarHBondContact O-N 2.79Å; D174-V176 VanDerWaalsContact C-N 3.31Å; D174-V176 PolarHBondContact O-N 3.36Å; V176-K178 HydrophobicContact CG1-CG 4.4Å; V176-K178 WeakPolarHBondContact O-CE 3.12Å; V176-K178 PolarHBondContact O-N 3.36Å
177	K	81.8	Confident	89.9	Confident	209 Å²	209	72.7 Å²	72.7	91%	0.909	35%	0.353	S	S	*	.			trans	-62.5	129.1	173.3	-66.1	-172.4	179	-176.6	0	110.4	F175	F175-K177 PolarHBondContact O-N 2.13Å
178	K	86.8	Confident	90.2	Very high	46 Å²	46	68 Å²	68	20%	0.2	33%	0.33	C	S	.	.			trans	-127.4	148.4	-178.9	-62	154.6	-166.2	177.3	0	108.5	F170 E171 V176 R183	F170-K178 HydrophobicContact CB-CD 4.32Å; F170-K178 HydrophobicContact CB-CG 4.25Å; F170-K178 HydrophobicContact CD1-CD 4.25Å; F170-K178 HydrophobicContact CD1-CG 4.5Å; F170-K178 HydrophobicContact CD2-CD 3.87Å; F170-K178 HydrophobicContact CE2-CD 4.2Å; F170-K178 HydrophobicContact CG-CD 3.9Å; F170-K178 HydrophobicContact CG-CG 4.26Å; E171-K178 WeakPolarHBondContact O-CE 3.43Å; E171-K178 PolarHBondContact O-NZ 3.46Å; V176-K178 HydrophobicContact CG1-CG 4.4Å; V176-K178 WeakPolarHBondContact O-CE 3.12Å; V176-K178 PolarHBondContact O-N 3.36Å; K178-R183 HydrophobicContact CB-CG 3.66Å; K178-R183 HydrophobicContact CD-CG 4.13Å
179	S	92.5	Very high	90.2	Very high	61 Å²	61	66.5 Å²	66.5	43%	0.427	32%	0.322	S	S	.	.			trans	-68.9	147.8	170.1	67.3	0	0	0	0	110.5	S181 L182 R183	S179-S181 PolarHBondContact O-N 2.71Å; S179-S181 PolarHBondContact OG-OG 3.07Å; S179-L182 PolarHBondContact O-N 3.45Å; S179-L182 VanDerWaalsContact O-N 3.16Å; S179-L182 VanDerWaalsContact OG-CB 3.31Å; S179-L182 WeakPolarHBondContact OG-CB 3.24Å; S179-L182 PolarHBondContact OG-N 3.01Å; S179-R183 WeakPolarHBondContact O-CG 3.37Å; S179-R183 PolarHBondContact O-N 3.18Å
180	E	91.1	Very high	90.3	Very high	89 Å²	89	63.9 Å²	63.9	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-53.6	-43.9	173.4	-175.6	-176.6	-150	0	0	110.9	L182 R183 M184 R612	E180-L182 PolarHBondContact O-N 2.8Å; E180-R183 PolarHBondContact O-N 2.76Å; E180-M184 HydrophobicContact CG-CG 4.36Å; E180-M184 HydrophobicContact CG-SD 4.02Å; E180-M184 WeakPolarHBondContact O-CB 3.5Å; E180-M184 VanDerWaalsContact O-CG 3.29Å; E180-M184 WeakPolarHBondContact O-CG 3.42Å; E180-M184 PolarHBondContact O-N 3.19Å; E180-R612 VanDerWaalsContact OE1-CD 3.28Å; E180-R612 WeakPolarHBondContact OE1-CD 3.26Å; E180-R612 IonicContact OE1-CZ 3.64Å; E180-R612 IonicContact OE1-NE 3.28Å; E180-R612 IonicContact OE1-NH1 3.56Å; E180-R612 PolarHBondContact OE1-NH1 3.33Å; E180-R612 IonicContact OE2-NH1 3.93Å
181	S	93.6	Very high	90.5	Very high	64 Å²	64	64.1 Å²	64.1	45%	0.448	31%	0.307	S	S	.	.	H	α-helix	trans	-55.2	-44.5	176.9	52.9	0	0	0	0	113.7	S179 M184 Q185	S179-S181 PolarHBondContact O-N 2.71Å; S179-S181 PolarHBondContact OG-OG 3.07Å; S181-M184 PolarHBondContact O-N 3Å; S181-Q185 WeakPolarHBondContact O-CB 3.21Å; S181-Q185 PolarHBondContact O-N 3Å
182	L	95.7	Very high	90.7	Very high	48 Å²	48	62.3 Å²	62.3	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-74.4	-37.4	-179.3	-169.2	71.6	0	0	0	111.5	P169 F170 S179 E180 M184 Y186	P169-L182 HydrophobicContact CB-CD1 4.49Å; F170-L182 HydrophobicContact CB-CD2 4.5Å; F170-L182 HydrophobicContact CD1-CD2 3.81Å; F170-L182 HydrophobicContact CD1-CG 3.88Å; F170-L182 HydrophobicContact CE1-CG 4.26Å; S179-L182 PolarHBondContact O-N 3.45Å; S179-L182 VanDerWaalsContact O-N 3.16Å; S179-L182 VanDerWaalsContact OG-CB 3.31Å; S179-L182 WeakPolarHBondContact OG-CB 3.24Å; S179-L182 PolarHBondContact OG-N 3.01Å; E180-L182 PolarHBondContact O-N 2.8Å; L182-M184 VanDerWaalsContact C-N 3.3Å; L182-M184 PolarHBondContact O-N 2.93Å; L182-Y186 HydrophobicContact CD1-CD2 3.78Å; L182-Y186 HydrophobicContact CD1-CE2 3.68Å; L182-Y186 HydrophobicContact CG-CD2 4.3Å; L182-Y186 PolarHBondContact O-N 3.06Å; L182-Y186 VanDerWaalsContact O-N 3.14Å
183	R	95.2	Very high	90.9	Very high	48 Å²	48	62.5 Å²	62.5	18%	0.181	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-40.5	172.2	-68.9	-179.6	65.5	-140.5	-12.1	111.6	K178 S179 E180 Y186 R187 D190 D613	K178-R183 HydrophobicContact CB-CG 3.66Å; K178-R183 HydrophobicContact CD-CG 4.13Å; S179-R183 WeakPolarHBondContact O-CG 3.37Å; S179-R183 PolarHBondContact O-N 3.18Å; E180-R183 PolarHBondContact O-N 2.76Å; R183-Y186 CarbonylContact O-C 3.59Å; R183-R187 WeakPolarHBondContact O-CA 3.21Å; R183-R187 PolarHBondContact O-N 3.18Å; R183-R187 VanDerWaalsContact O-N 3.12Å; R183-D190 HydrophobicContact CB-CB 4.37Å; R183-D190 WeakPolarHBondContact CG-OD1 3.49Å; R183-D190 IonicContact CZ-OD1 2.71Å; R183-D190 IonicContact CZ-OD2 2.66Å; R183-D190 VanDerWaalsContact NE-CG 3.35Å; R183-D190 IonicContact NE-OD1 3.89Å; R183-D190 PolarHBondContact NE-OD1 3.41Å; R183-D190 IonicContact NE-OD2 2.71Å; R183-D190 PolarHBondContact NE-OD2 2.82Å; R183-D190 IonicContact NH2-OD1 2.8Å; R183-D190 IonicContact NH2-OD2 3.7Å; R183-D190 PolarHBondContact NH2-OD2 3.28Å; R183-D613 IonicContact CZ-OD1 3.43Å; R183-D613 IonicContact CZ-OD2 3.25Å; R183-D613 IonicContact NH1-OD1 3.39Å; R183-D613 PolarHBondContact NH1-OD1 2.89Å; R183-D613 IonicContact NH1-OD2 2.77Å; R183-D613 PolarHBondContact NH1-OD2 2.84Å; R183-D613 IonicContact NH2-OD1 3.81Å; R183-D613 PolarHBondContact NH2-OD1 2.66Å; R183-D613 IonicContact NH2-OD2 3.74Å; R183-D613 PolarHBondContact NH2-OD2 2.9Å
184	M	94.9	Very high	91.2	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.049	31%	0.306	C	S	.	.	H	α-helix	trans	-72.9	-45.3	177.7	-69.3	-174.8	70.7	0	0	112.4	E180 S181 L182 Y186 R187 P618 K619 S620 L626	E180-M184 HydrophobicContact CG-CG 4.36Å; E180-M184 HydrophobicContact CG-SD 4.02Å; E180-M184 WeakPolarHBondContact O-CB 3.5Å; E180-M184 VanDerWaalsContact O-CG 3.29Å; E180-M184 WeakPolarHBondContact O-CG 3.42Å; E180-M184 PolarHBondContact O-N 3.19Å; S181-M184 PolarHBondContact O-N 3Å; L182-M184 VanDerWaalsContact C-N 3.3Å; L182-M184 PolarHBondContact O-N 2.93Å; M184-Y186 PolarHBondContact O-N 3.07Å; M184-R187 WeakPolarHBondContact O-CB 3.46Å; M184-R187 PolarHBondContact O-N 2.9Å; M184-P618 HydrophobicContact CE-CB 4.35Å; M184-P618 HydrophobicContact CE-CG 4.01Å; M184-P618 WeakPolarHBondContact CE-O 3.47Å; M184-K619 VanDerWaalsContact CE-C 3.46Å; M184-S620 VanDerWaalsContact CE-N 3.31Å; M184-L626 HydrophobicContact CB-CB 4.17Å; M184-L626 HydrophobicContact CB-CD1 4.1Å; M184-L626 HydrophobicContact CB-CG 4.5Å; M184-L626 HydrophobicContact SD-CD1 4.4Å
185	Q	97.4	Very high	92.1	Very high	68 Å²	68	61.4 Å²	61.4	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-57.9	-37	177.8	-176.3	179.1	21.1	0	0	112.6	S181 L626 M627	S181-Q185 WeakPolarHBondContact O-CB 3.21Å; S181-Q185 PolarHBondContact O-N 3Å; Q185-L626 WeakPolarHBondContact CA-O 3.35Å; Q185-L626 HydrophobicContact CB-CB 4.49Å; Q185-M627 WeakPolarHBondContact O-CA 3.46Å
186	Y	97.4	Very high	93.1	Very high	57 Å²	57	53.5 Å²	53.5	22%	0.224	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	43.1	178.1	-59.3	-81.1	0	0	0	111.6	P169 L182 R183 M184 Y188 L189 D190	P169-Y186 HydrophobicContact CB-CD2 3.98Å; P169-Y186 HydrophobicContact CB-CE2 3.75Å; P169-Y186 HydrophobicContact CB-CG 4.45Å; P169-Y186 HydrophobicContact CG-CD1 3.75Å; P169-Y186 HydrophobicContact CG-CD2 3.57Å; P169-Y186 HydrophobicContact CG-CE1 3.92Å; P169-Y186 HydrophobicContact CG-CE2 3.74Å; P169-Y186 HydrophobicContact CG-CG 3.57Å; L182-Y186 HydrophobicContact CD1-CD2 3.78Å; L182-Y186 HydrophobicContact CD1-CE2 3.68Å; L182-Y186 HydrophobicContact CG-CD2 4.3Å; L182-Y186 PolarHBondContact O-N 3.06Å; L182-Y186 VanDerWaalsContact O-N 3.14Å; R183-Y186 CarbonylContact O-C 3.59Å; M184-Y186 PolarHBondContact O-N 3.07Å; Y186-Y188 WeakPolarHBondContact CD1-OH 3.43Å; Y186-Y188 PolarHBondContact O-N 3.26Å; Y186-Y188 VanDerWaalsContact O-N 3.15Å; Y186-L189 HydrophobicContact CD1-CD1 4.49Å; Y186-L189 WeakPolarHBondContact O-CA 3.24Å; Y186-L189 WeakPolarHBondContact O-CB 3.37Å; Y186-L189 PolarHBondContact O-N 3.09Å; Y186-D190 PolarHBondContact O-N 3.22Å; Y186-D190 VanDerWaalsContact O-N 3.15Å
187	R	97.3	Very high	93.8	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-34.6	-173.1	-170.9	54.1	165.2	-160.2	-14.1	113.5	R183 M184 L189 D190 L191 R612 D613 I615 A616 F617 M627	R183-R187 WeakPolarHBondContact O-CA 3.21Å; R183-R187 PolarHBondContact O-N 3.18Å; R183-R187 VanDerWaalsContact O-N 3.12Å; M184-R187 WeakPolarHBondContact O-CB 3.46Å; M184-R187 PolarHBondContact O-N 2.9Å; R187-L189 PolarHBondContact O-N 3.34Å; R187-L189 VanDerWaalsContact O-N 3.17Å; R187-D190 IonicContact CZ-OD2 3.17Å; R187-D190 IonicContact NH1-OD2 2.58Å; R187-D190 PolarHBondContact NH1-OD2 3.41Å; R187-D190 PolarHBondContact O-N 3.39Å; R187-D190 VanDerWaalsContact O-N 3.11Å; R187-L191 HydrophobicContact CG-CD1 4.26Å; R187-L191 HydrophobicContact CG-CG 4.07Å; R187-L191 WeakPolarHBondContact O-CB 3.41Å; R187-L191 VanDerWaalsContact O-CG 3.23Å; R187-L191 WeakPolarHBondContact O-CG 3.23Å; R187-L191 PolarHBondContact O-N 3.2Å; R187-R612 PolarHBondContact NH2-O 2.85Å; R187-D613 IonicContact CZ-OD1 3.3Å; R187-D613 IonicContact NH1-OD1 3.93Å; R187-D613 PolarHBondContact NH1-OD1 3.45Å; R187-D613 IonicContact NH2-OD1 2.79Å; R187-I615 PolarHBondContact NH2-O 2.74Å; R187-A616 WeakPolarHBondContact CG-O 3.16Å; R187-A616 PolarHBondContact NE-O 3.42Å; R187-F617 HydrophobicContact CB-CD1 4.23Å; R187-F617 HydrophobicContact CB-CE1 4.46Å; R187-F617 HydrophobicContact CG-CD1 3.98Å; R187-F617 HydrophobicContact CG-CE1 4.3Å; R187-M627 HydrophobicContact CB-SD 4.36Å
188	Y	97.3	Very high	94.4	Very high	106 Å²	106	48.5 Å²	48.5	42%	0.416	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-17.5	173.6	57.6	-93	0	0	0	115.1	Y186 M627	Y186-Y188 WeakPolarHBondContact CD1-OH 3.43Å; Y186-Y188 PolarHBondContact O-N 3.26Å; Y186-Y188 VanDerWaalsContact O-N 3.15Å; Y188-M627 HydrophobicContact CD1-CG 4.17Å; Y188-M627 HydrophobicContact CD1-SD 3.8Å; Y188-M627 HydrophobicContact CE1-CG 4.24Å; Y188-M627 HydrophobicContact CE1-SD 4.45Å
189	L	96	Very high	94.9	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-92.2	-40.9	168.6	-58.6	179.1	0	0	0	111.4	L168 P169 F170 I172 Y186 R187 L191 R192	L168-L189 HydrophobicContact CD1-CD1 4.22Å; L168-L189 HydrophobicContact CD1-CD2 4.25Å; L168-L189 HydrophobicContact CD2-CD1 3.84Å; L168-L189 HydrophobicContact CD2-CD2 4.26Å; L168-L189 HydrophobicContact CG-CD1 4.43Å; P169-L189 HydrophobicContact CG-CD1 4.02Å; F170-L189 HydrophobicContact CE2-CB 3.87Å; F170-L189 HydrophobicContact CZ-CB 3.83Å; I172-L189 HydrophobicContact CD1-CB 4.28Å; Y186-L189 HydrophobicContact CD1-CD1 4.49Å; Y186-L189 WeakPolarHBondContact O-CA 3.24Å; Y186-L189 WeakPolarHBondContact O-CB 3.37Å; Y186-L189 PolarHBondContact O-N 3.09Å; R187-L189 PolarHBondContact O-N 3.34Å; R187-L189 VanDerWaalsContact O-N 3.17Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.06Å; L189-R192 VanDerWaalsContact O-CB 3.29Å; L189-R192 WeakPolarHBondContact O-CB 3.41Å; L189-R192 PolarHBondContact O-N 2.82Å
190	D	95.5	Very high	95.2	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-35.9	178	-171.4	66.8	0	0	0	112.2	F170 R183 Y186 R187 R192 S193	F170-D190 HydrophobicContact CZ-CB 4.13Å; R183-D190 HydrophobicContact CB-CB 4.37Å; R183-D190 WeakPolarHBondContact CG-OD1 3.49Å; R183-D190 IonicContact CZ-OD1 2.71Å; R183-D190 IonicContact CZ-OD2 2.66Å; R183-D190 VanDerWaalsContact NE-CG 3.35Å; R183-D190 IonicContact NE-OD1 3.89Å; R183-D190 PolarHBondContact NE-OD1 3.41Å; R183-D190 IonicContact NE-OD2 2.71Å; R183-D190 PolarHBondContact NE-OD2 2.82Å; R183-D190 IonicContact NH2-OD1 2.8Å; R183-D190 IonicContact NH2-OD2 3.7Å; R183-D190 PolarHBondContact NH2-OD2 3.28Å; Y186-D190 PolarHBondContact O-N 3.22Å; Y186-D190 VanDerWaalsContact O-N 3.15Å; R187-D190 IonicContact CZ-OD2 3.17Å; R187-D190 IonicContact NH1-OD2 2.58Å; R187-D190 PolarHBondContact NH1-OD2 3.41Å; R187-D190 PolarHBondContact O-N 3.39Å; R187-D190 VanDerWaalsContact O-N 3.11Å; D190-R192 PolarHBondContact O-N 2.86Å; D190-R192 VanDerWaalsContact O-N 3.14Å; D190-S193 VanDerWaalsContact O-CB 3.32Å; D190-S193 WeakPolarHBondContact O-CB 3.36Å; D190-S193 PolarHBondContact O-N 3.04Å; D190-S193 PolarHBondContact O-OG 3.45Å
191	L	96.4	Very high	95.4	Very high	22 Å²	22	46.9 Å²	46.9	12%	0.115	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.7	172.3	-70.6	-178.2	0	0	0	114.4	R187 L189 S193 M196 Q197 L200 F617	R187-L191 HydrophobicContact CG-CD1 4.26Å; R187-L191 HydrophobicContact CG-CG 4.07Å; R187-L191 WeakPolarHBondContact O-CB 3.41Å; R187-L191 VanDerWaalsContact O-CG 3.23Å; R187-L191 WeakPolarHBondContact O-CG 3.23Å; R187-L191 PolarHBondContact O-N 3.2Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.06Å; L191-S193 VanDerWaalsContact C-N 3.35Å; L191-M196 HydrophobicContact CD2-CB 3.96Å; L191-M196 HydrophobicContact CD2-CE 3.71Å; L191-M196 HydrophobicContact CD2-CG 4.25Å; L191-Q197 PolarHBondContact O-NE2 3.27Å; L191-L200 HydrophobicContact CD2-CD1 3.74Å; L191-F617 HydrophobicContact CD1-CE1 4.03Å; L191-F617 HydrophobicContact CD1-CZ 3.92Å
192	R	95.4	Very high	95.6	Very high	61 Å²	61	44.4 Å²	44.4	23%	0.23	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-10	171.4	-57.7	-176.1	-176	179.1	0.9	113.2	W84 E126 I172 L189 D190	W84-R192 VanDerWaalsContact NE1-CZ 3.3Å; E126-R192 VanDerWaalsContact OE2-CD 3.31Å; E126-R192 WeakPolarHBondContact OE2-CD 3.17Å; E126-R192 IonicContact OE2-CZ 3.77Å; E126-R192 IonicContact OE2-NE 2.92Å; E126-R192 IonicContact OE2-NH1 2.81Å; E126-R192 PolarHBondContact OE2-NH1 2.96Å; I172-R192 HydrophobicContact CD1-CB 3.92Å; I172-R192 HydrophobicContact CD1-CG 4.29Å; I172-R192 HydrophobicContact CG2-CB 4.18Å; L189-R192 VanDerWaalsContact O-CB 3.29Å; L189-R192 WeakPolarHBondContact O-CB 3.41Å; L189-R192 PolarHBondContact O-N 2.82Å; D190-R192 PolarHBondContact O-N 2.86Å; D190-R192 VanDerWaalsContact O-N 3.14Å
193	S	92.8	Very high	95.7	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.084	20%	0.197	C	C	.	.	S	Bend	trans	-67.4	153.8	177.4	62.4	0	0	0	0	112.5	D190 L191 Q195 M196 Q197	D190-S193 VanDerWaalsContact O-CB 3.32Å; D190-S193 WeakPolarHBondContact O-CB 3.36Å; D190-S193 PolarHBondContact O-N 3.04Å; D190-S193 PolarHBondContact O-OG 3.45Å; L191-S193 VanDerWaalsContact C-N 3.35Å; S193-Q195 VanDerWaalsContact C-N 3.33Å; S193-Q195 PolarHBondContact O-N 2.95Å; S193-M196 PolarHBondContact O-N 3.25Å; S193-M196 WeakPolarHBondContact OG-CB 3.48Å; S193-M196 WeakPolarHBondContact OG-CG 3.16Å; S193-M196 PolarHBondContact OG-N 3.14Å; S193-Q197 WeakPolarHBondContact O-CG 3.22Å; S193-Q197 PolarHBondContact O-N 2.95Å
194	S	91.3	Very high	95.9	Very high	67 Å²	67	45.4 Å²	45.4	47%	0.469	22%	0.216	S	C	.	.	H	α-helix	trans	-55.5	-47.9	176.9	59.2	0	0	0	0	111.5	D174 Q197 K198	D174-S194 PolarHBondContact OD1-OG 2.93Å; D174-S194 WeakPolarHBondContact OD2-CB 3.34Å; D174-S194 PolarHBondContact OD2-OG 3.13Å; S194-Q197 PolarHBondContact O-N 3.25Å; S194-K198 PolarHBondContact O-N 3.21Å
195	Q	92.6	Very high	96	Very high	96 Å²	96	50.9 Å²	50.9	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-50.6	178.9	-171.4	69	57.4	0	0	112.2	S193 Q197 K198 N199	S193-Q195 VanDerWaalsContact C-N 3.33Å; S193-Q195 PolarHBondContact O-N 2.95Å; Q195-Q197 PolarHBondContact O-N 3.28Å; Q195-K198 PolarHBondContact O-N 2.89Å; Q195-N199 PolarHBondContact NE2-OD1 3.45Å; Q195-N199 WeakPolarHBondContact O-CB 3.5Å; Q195-N199 PolarHBondContact O-N 2.88Å; Q195-N199 PolarHBondContact O-OD1 3.01Å
196	M	94.6	Very high	96.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-34.8	-178.1	-70.8	-51.3	-46.6	0	0	112.5	L191 S193 L200 D613	L191-M196 HydrophobicContact CD2-CB 3.96Å; L191-M196 HydrophobicContact CD2-CE 3.71Å; L191-M196 HydrophobicContact CD2-CG 4.25Å; S193-M196 PolarHBondContact O-N 3.25Å; S193-M196 WeakPolarHBondContact OG-CB 3.48Å; S193-M196 WeakPolarHBondContact OG-CG 3.16Å; S193-M196 PolarHBondContact OG-N 3.14Å; M196-L200 WeakPolarHBondContact O-CG 3.35Å; M196-L200 PolarHBondContact O-N 2.89Å; M196-L200 VanDerWaalsContact O-N 3.14Å; M196-D613 VanDerWaalsContact CE-O 3.28Å; M196-D613 WeakPolarHBondContact CE-O 3.41Å; M196-D613 HydrophobicContact SD-CB 4.14Å
197	Q	95	Very high	96.1	Very high	45 Å²	45	46.2 Å²	46.2	21%	0.21	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-43.6	171.4	-75.2	-62.7	-50.6	0	0	111.7	L191 S193 S194 Q195 R201	L191-Q197 PolarHBondContact O-NE2 3.27Å; S193-Q197 WeakPolarHBondContact O-CG 3.22Å; S193-Q197 PolarHBondContact O-N 2.95Å; S194-Q197 PolarHBondContact O-N 3.25Å; Q195-Q197 PolarHBondContact O-N 3.28Å; Q197-R201 WeakPolarHBondContact O-CB 3.28Å; Q197-R201 WeakPolarHBondContact O-CD 3.47Å; Q197-R201 WeakPolarHBondContact O-CG 3.44Å; Q197-R201 PolarHBondContact O-N 3.21Å
198	K	94.6	Very high	96.2	Very high	103 Å²	103	51.1 Å²	51.1	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-50.5	175.3	-179	169.4	-178.8	173.5	0	111.3	S194 Q195 L200 R201 L202 E321	S194-K198 PolarHBondContact O-N 3.21Å; Q195-K198 PolarHBondContact O-N 2.89Å; K198-L200 PolarHBondContact O-N 3.01Å; K198-R201 PolarHBondContact O-N 2.85Å; K198-L202 WeakPolarHBondContact O-CB 3.42Å; K198-L202 PolarHBondContact O-N 2.69Å; K198-E321 WeakPolarHBondContact CE-OE1 3.25Å; K198-E321 IonicContact NZ-OE1 3.56Å; K198-E321 PolarHBondContact NZ-OE1 2.88Å
199	N	96.9	Very high	96.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-46.7	-175.3	-69.7	6.2	0	0	0	112.3	Q195 R203 D613 V614	Q195-N199 PolarHBondContact NE2-OD1 3.45Å; Q195-N199 WeakPolarHBondContact O-CB 3.5Å; Q195-N199 PolarHBondContact O-N 2.88Å; Q195-N199 PolarHBondContact O-OD1 3.01Å; N199-R203 WeakPolarHBondContact O-CB 3.24Å; N199-R203 PolarHBondContact O-N 3.11Å; N199-D613 WeakPolarHBondContact CB-O 3.44Å; N199-D613 PolarHBondContact ND2-O 3.45Å; N199-V614 HydrophobicContact CB-CG1 4.37Å
200	L	97.5	Very high	96.4	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-32.2	179	-66.9	-177.6	0	0	0	113	L191 M196 K198 S204 A616	L191-L200 HydrophobicContact CD2-CD1 3.74Å; M196-L200 WeakPolarHBondContact O-CG 3.35Å; M196-L200 PolarHBondContact O-N 2.89Å; M196-L200 VanDerWaalsContact O-N 3.14Å; K198-L200 PolarHBondContact O-N 3.01Å; L200-S204 WeakPolarHBondContact O-CB 3.42Å; L200-S204 PolarHBondContact O-N 2.96Å; L200-A616 HydrophobicContact CD1-CB 4.32Å; L200-A616 HydrophobicContact CD2-CB 4.32Å
201	R	96.7	Very high	96.6	Very high	116 Å²	116	52 Å²	52	44%	0.438	25%	0.251	S	S	.	.	H	α-helix	trans	-73.2	-44.1	177.5	-71.7	171	-169.6	-70.2	-14.5	111.8	F99 Q197 K198 R203 S204 Q205	F99-R201 VanDerWaalsContact CB-NH2 3.31Å; Q197-R201 WeakPolarHBondContact O-CB 3.28Å; Q197-R201 WeakPolarHBondContact O-CD 3.47Å; Q197-R201 WeakPolarHBondContact O-CG 3.44Å; Q197-R201 PolarHBondContact O-N 3.21Å; K198-R201 PolarHBondContact O-N 2.85Å; R201-R203 VanDerWaalsContact C-N 3.33Å; R201-R203 PolarHBondContact O-N 3.43Å; R201-S204 PolarHBondContact O-N 3.04Å; R201-S204 VanDerWaalsContact O-N 3.17Å; R201-Q205 WeakPolarHBondContact O-CB 3.4Å; R201-Q205 PolarHBondContact O-N 3.1Å
202	L	97.5	Very high	96.7	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-59.9	-43.7	173.5	-173.3	150.2	0	0	0	110.9	K198 S204 Q205 L206 P319 V602 L605 V606	K198-L202 WeakPolarHBondContact O-CB 3.42Å; K198-L202 PolarHBondContact O-N 2.69Å; L202-S204 PolarHBondContact O-N 3Å; L202-Q205 PolarHBondContact O-N 2.97Å; L202-L206 VanDerWaalsContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CB 3.31Å; L202-L206 PolarHBondContact O-N 2.8Å; L202-P319 HydrophobicContact CD1-CB 4.42Å; L202-P319 HydrophobicContact CD1-CG 4.15Å; L202-P319 HydrophobicContact CD2-CG 4.37Å; L202-P319 HydrophobicContact CG-CG 4.24Å; L202-V602 HydrophobicContact CD2-CG1 4.11Å; L202-L605 HydrophobicContact CD2-CB 4.38Å; L202-L605 HydrophobicContact CD2-CD1 4.34Å; L202-V606 HydrophobicContact CD1-CG1 4.22Å; L202-V606 HydrophobicContact CD2-CG1 4.13Å
203	R	98.4	Very high	96.8	Very high	36 Å²	36	51.3 Å²	51.3	14%	0.136	25%	0.249	C	C	.	.	H	α-helix	trans	-54.7	-50.5	171.8	-172.8	-168.5	-173.4	102	6.2	111.8	N199 R201 Q205 L206 V207 T292 D599 V602 V614	N199-R203 WeakPolarHBondContact O-CB 3.24Å; N199-R203 PolarHBondContact O-N 3.11Å; R201-R203 VanDerWaalsContact C-N 3.33Å; R201-R203 PolarHBondContact O-N 3.43Å; R203-Q205 VanDerWaalsContact C-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.12Å; R203-L206 PolarHBondContact O-N 2.98Å; R203-V207 VanDerWaalsContact O-CG2 3.32Å; R203-V207 WeakPolarHBondContact O-CG2 3.38Å; R203-V207 PolarHBondContact O-N 2.92Å; R203-T292 PolarHBondContact NH2-OG1 2.79Å; R203-T292 VanDerWaalsContact NH2-OG1 3.08Å; R203-D599 IonicContact CZ-OD1 2.78Å; R203-D599 IonicContact NH1-OD1 3.67Å; R203-D599 PolarHBondContact NH1-OD1 2.9Å; R203-D599 IonicContact NH2-OD1 2.75Å; R203-D599 PolarHBondContact NH2-OD1 3.01Å; R203-V602 HydrophobicContact CB-CG1 4.12Å; R203-V602 HydrophobicContact CG-CG2 4.3Å; R203-V614 PolarHBondContact NH1-O 2.92Å
204	S	98.4	Very high	97.1	Very high	82 Å²	82	50.7 Å²	50.7	57%	0.573	25%	0.245	S	C	*	.	H	α-helix	trans	-63.7	-38.1	-177.9	-170.1	0	0	0	0	112.6	L200 R201 L202 M208	L200-S204 WeakPolarHBondContact O-CB 3.42Å; L200-S204 PolarHBondContact O-N 2.96Å; R201-S204 PolarHBondContact O-N 3.04Å; R201-S204 VanDerWaalsContact O-N 3.17Å; L202-S204 PolarHBondContact O-N 3Å; S204-M208 WeakPolarHBondContact O-CB 3.43Å; S204-M208 PolarHBondContact O-N 3.44Å; S204-M208 VanDerWaalsContact O-N 3.12Å
205	Q	98.1	Very high	97.5	Very high	125 Å²	125	49.5 Å²	49.5	58%	0.584	24%	0.236	S	C	*	.	H	α-helix	trans	-71.1	-44.5	177.8	-176.6	175.1	-7.9	0	0	111.9	R201 L202 R203 M208 K209	R201-Q205 WeakPolarHBondContact O-CB 3.4Å; R201-Q205 PolarHBondContact O-N 3.1Å; L202-Q205 PolarHBondContact O-N 2.97Å; R203-Q205 VanDerWaalsContact C-N 3.33Å; R203-Q205 PolarHBondContact O-N 3.12Å; Q205-M208 PolarHBondContact O-N 3.42Å; Q205-K209 PolarHBondContact O-N 2.84Å
206	L	98.4	Very high	97.8	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-50.2	175.4	-176.9	72.6	0	0	0	110.8	L202 R203 M208 K209 M210 S317 L598 L601 V602 L605	L202-L206 VanDerWaalsContact O-CB 3.3Å; L202-L206 WeakPolarHBondContact O-CB 3.31Å; L202-L206 PolarHBondContact O-N 2.8Å; R203-L206 PolarHBondContact O-N 2.98Å; L206-M208 VanDerWaalsContact C-N 3.34Å; L206-M208 PolarHBondContact O-N 2.8Å; L206-K209 PolarHBondContact O-N 2.87Å; L206-M210 HydrophobicContact CD1-CE 4.04Å; L206-M210 HydrophobicContact CD2-CE 4.21Å; L206-M210 HydrophobicContact CG-CE 3.96Å; L206-M210 HydrophobicContact CG-SD 4.18Å; L206-M210 VanDerWaalsContact O-CG 3.32Å; L206-M210 WeakPolarHBondContact O-CG 3.4Å; L206-M210 PolarHBondContact O-N 3.17Å; L206-S317 VanDerWaalsContact CD1-O 3.26Å; L206-S317 WeakPolarHBondContact CD1-O 3.41Å; L206-L598 HydrophobicContact CD2-CD1 4.09Å; L206-L601 HydrophobicContact CD2-CD2 4.19Å; L206-L601 HydrophobicContact CD2-CG 4.47Å; L206-V602 HydrophobicContact CD2-CG2 3.55Å; L206-L605 HydrophobicContact CD1-CD1 4.39Å; L206-L605 HydrophobicContact CD2-CD1 3.88Å
207	V	98.6	Very high	98	Very high	24 Å²	24	55.1 Å²	55.1	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-40.1	178.5	171.2	0	0	0	0	112	R203 M210 R211 V274 L598	R203-V207 VanDerWaalsContact O-CG2 3.32Å; R203-V207 WeakPolarHBondContact O-CG2 3.38Å; R203-V207 PolarHBondContact O-N 2.92Å; V207-M210 PolarHBondContact O-N 3.5Å; V207-R211 VanDerWaalsContact O-CG 3.29Å; V207-R211 WeakPolarHBondContact O-CG 3.21Å; V207-R211 PolarHBondContact O-N 3.39Å; V207-V274 HydrophobicContact CG1-CG1 4.36Å; V207-V274 HydrophobicContact CG1-CG2 4.18Å; V207-L598 HydrophobicContact CG2-CD1 3.9Å; V207-L598 HydrophobicContact CG2-CD2 3.49Å; V207-L598 VanDerWaalsContact CG2-CD2 3.49Å; V207-L598 HydrophobicContact CG2-CG 4.33Å
208	M	98.6	Very high	98.1	Very high	108 Å²	108	56 Å²	56	53%	0.532	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-44.2	175.5	-172.2	58.1	68.1	0	0	111.2	S204 Q205 L206 M210 R211 E212	S204-M208 WeakPolarHBondContact O-CB 3.43Å; S204-M208 PolarHBondContact O-N 3.44Å; S204-M208 VanDerWaalsContact O-N 3.12Å; Q205-M208 PolarHBondContact O-N 3.42Å; L206-M208 VanDerWaalsContact C-N 3.34Å; L206-M208 PolarHBondContact O-N 2.8Å; M208-M210 PolarHBondContact O-N 2.9Å; M208-R211 WeakPolarHBondContact O-CB 3.27Å; M208-R211 PolarHBondContact O-N 3.41Å; M208-R211 VanDerWaalsContact O-N 3.15Å; M208-E212 WeakPolarHBondContact O-CG 3.33Å; M208-E212 PolarHBondContact O-N 2.89Å
209	K	98.7	Very high	98.3	Very high	67 Å²	67	53.6 Å²	53.6	29%	0.291	28%	0.28	S	S	.	.	H	α-helix	trans	-65.7	-35.3	177.6	-74.9	-75.1	162.1	-162.7	0	113.6	Q205 L206 R211 E212 Y213 Y316	Q205-K209 PolarHBondContact O-N 2.84Å; L206-K209 PolarHBondContact O-N 2.87Å; K209-R211 VanDerWaalsContact C-N 3.34Å; K209-E212 VanDerWaalsContact CE-OE1 3.31Å; K209-E212 WeakPolarHBondContact CE-OE1 3.4Å; K209-E212 IonicContact NZ-OE1 2.71Å; K209-E212 PolarHBondContact NZ-OE1 3.28Å; K209-E212 IonicContact NZ-OE2 3.36Å; K209-E212 PolarHBondContact NZ-OE2 2.85Å; K209-E212 PolarHBondContact O-N 2.91Å; K209-Y213 PolarHBondContact O-N 3.47Å; K209-Y316 HydrophobicContact CB-CD1 4.47Å; K209-Y316 HydrophobicContact CD-CD1 4.34Å; K209-Y316 HydrophobicContact CD-CE1 3.8Å; K209-Y316 WeakPolarHBondContact O-CD1 3.48Å
210	M	98.8	Very high	98.4	Very high	2 Å²	2	54 Å²	54	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-42	171.4	-72	175.7	164.5	0	0	111.6	L206 V207 M208 Y213 L214 V294 L313 L314 L598 L601	L206-M210 HydrophobicContact CD1-CE 4.04Å; L206-M210 HydrophobicContact CD2-CE 4.21Å; L206-M210 HydrophobicContact CG-CE 3.96Å; L206-M210 HydrophobicContact CG-SD 4.18Å; L206-M210 VanDerWaalsContact O-CG 3.32Å; L206-M210 WeakPolarHBondContact O-CG 3.4Å; L206-M210 PolarHBondContact O-N 3.17Å; V207-M210 PolarHBondContact O-N 3.5Å; M208-M210 PolarHBondContact O-N 2.9Å; M210-Y213 PolarHBondContact O-N 2.84Å; M210-L214 WeakPolarHBondContact O-CB 3.47Å; M210-L214 WeakPolarHBondContact O-CG 3.46Å; M210-L214 PolarHBondContact O-N 3.26Å; M210-V294 HydrophobicContact SD-CG2 3.99Å; M210-L313 HydrophobicContact CB-CD1 3.81Å; M210-L313 HydrophobicContact CG-CD1 3.78Å; M210-L313 HydrophobicContact CG-CG 4.32Å; M210-L314 HydrophobicContact CE-CD2 4.03Å; M210-L598 HydrophobicContact SD-CD1 4.49Å; M210-L601 HydrophobicContact CE-CD2 3.76Å
211	R	98.8	Very high	98.5	Very high	64 Å²	64	55.3 Å²	55.3	24%	0.242	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-42.2	175	-72.1	170.6	160.4	-74.4	-2.9	112.4	V207 M208 K209 Y213 C215 D222 F272	V207-R211 VanDerWaalsContact O-CG 3.29Å; V207-R211 WeakPolarHBondContact O-CG 3.21Å; V207-R211 PolarHBondContact O-N 3.39Å; M208-R211 WeakPolarHBondContact O-CB 3.27Å; M208-R211 PolarHBondContact O-N 3.41Å; M208-R211 VanDerWaalsContact O-N 3.15Å; K209-R211 VanDerWaalsContact C-N 3.34Å; R211-Y213 PolarHBondContact O-N 3.09Å; R211-C215 VanDerWaalsContact O-CB 3.29Å; R211-C215 WeakPolarHBondContact O-CB 3.34Å; R211-C215 PolarHBondContact O-N 3.09Å; R211-C215 PolarHBondContact O-SG 2.85Å; R211-C215 VanDerWaalsContact O-SG 3.4Å; R211-D222 IonicContact CZ-OD1 2.79Å; R211-D222 IonicContact CZ-OD2 3.42Å; R211-D222 VanDerWaalsContact CZ-OD2 3.27Å; R211-D222 IonicContact NH1-OD1 3.73Å; R211-D222 PolarHBondContact NH1-OD1 3.46Å; R211-D222 IonicContact NH1-OD2 2.84Å; R211-D222 PolarHBondContact NH1-OD2 2.95Å; R211-D222 IonicContact NH2-OD1 3.81Å; R211-D222 PolarHBondContact NH2-OD1 3.12Å; R211-D222 IonicContact NH2-OD2 3.2Å; R211-D222 PolarHBondContact NH2-OD2 2.81Å; R211-F272 HydrophobicContact CB-CZ 4.44Å; R211-F272 HydrophobicContact CG-CE2 3.84Å; R211-F272 HydrophobicContact CG-CZ 3.99Å
212	E	98.8	Very high	98.5	Very high	50 Å²	50	52.5 Å²	52.5	23%	0.234	29%	0.286	C	S	.	.	I	π-helix	trans	-58.3	-46	174.1	-72.7	173.9	-125.6	0	0	111.7	M208 K209 N216 Y316	M208-E212 WeakPolarHBondContact O-CG 3.33Å; M208-E212 PolarHBondContact O-N 2.89Å; K209-E212 VanDerWaalsContact CE-OE1 3.31Å; K209-E212 WeakPolarHBondContact CE-OE1 3.4Å; K209-E212 IonicContact NZ-OE1 2.71Å; K209-E212 PolarHBondContact NZ-OE1 3.28Å; K209-E212 IonicContact NZ-OE2 3.36Å; K209-E212 PolarHBondContact NZ-OE2 2.85Å; K209-E212 PolarHBondContact O-N 2.91Å; E212-N216 WeakPolarHBondContact O-CA 3.39Å; E212-N216 WeakPolarHBondContact O-CB 3.43Å; E212-N216 PolarHBondContact O-N 2.96Å; E212-Y316 HydrophobicContact CB-CE1 3.99Å; E212-Y316 PolarHBondContact OE2-OH 2.56Å
213	Y	98.8	Very high	98.6	Very high	19 Å²	19	53.8 Å²	53.8	8%	0.075	29%	0.294	C	S	.	.	I	π-helix	trans	-63.1	-53.7	177.9	-178.4	-96.4	0	0	0	112.1	K209 M210 R211 V217 H218 L309 G312 L313 Y316	K209-Y213 PolarHBondContact O-N 3.47Å; M210-Y213 PolarHBondContact O-N 2.84Å; R211-Y213 PolarHBondContact O-N 3.09Å; Y213-V217 VanDerWaalsContact O-CB 3.31Å; Y213-V217 WeakPolarHBondContact O-CB 3.35Å; Y213-V217 PolarHBondContact O-N 3.45Å; Y213-H218 AromaticContact CD1-CD2 3.83Å; Y213-H218 AromaticContact CD2-CD2 3.95Å; Y213-H218 AromaticContact CE1-CD2 3.42Å; Y213-H218 VanDerWaalsContact CE1-CD2 3.42Å; Y213-H218 WeakPolarHBondContact CE1-CD2 3.49Å; Y213-H218 AromaticContact CE1-NE2 3.83Å; Y213-H218 AromaticContact CE2-CD2 3.53Å; Y213-H218 AromaticContact CE2-NE2 3.33Å; Y213-H218 VanDerWaalsContact CE2-NE2 3.33Å; Y213-H218 WeakPolarHBondContact CE2-NE2 3.12Å; Y213-H218 AromaticContact CZ-CD2 3.25Å; Y213-H218 AromaticContact CZ-NE2 3.15Å; Y213-H218 PolarHBondContact O-N 3.45Å; Y213-H218 VanDerWaalsContact O-N 3.1Å; Y213-H218 PolarHBondContact OH-NE2 3.36Å; Y213-H218 VanDerWaalsContact OH-NE2 3.09Å; Y213-L309 HydrophobicContact CE1-CD1 3.89Å; Y213-L309 HydrophobicContact CE1-CG 4.41Å; Y213-L309 PolarHBondContact OH-O 2.86Å; Y213-G312 WeakPolarHBondContact OH-CA 3.11Å; Y213-L313 HydrophobicContact CD1-CB 3.79Å; Y213-L313 HydrophobicContact CD1-CD1 3.6Å; Y213-L313 HydrophobicContact CD1-CG 4.32Å; Y213-L313 HydrophobicContact CE1-CB 3.66Å; Y213-L313 HydrophobicContact CE1-CD1 4.34Å; Y213-L313 HydrophobicContact CG-CD1 4.15Å; Y213-L313 VanDerWaalsContact CZ-N 3.32Å; Y213-Y316 HydrophobicContact CD2-CD1 4.18Å; Y213-Y316 HydrophobicContact CD2-CD2 4.03Å; Y213-Y316 AromaticContact CD2-CG 3.66Å; Y213-Y316 HydrophobicContact CD2-CG 3.66Å; Y213-Y316 HydrophobicContact CG-CD1 4.39Å; Y213-Y316 HydrophobicContact CG-CG 4.3Å
214	L	98.8	Very high	98.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.326	C	S	.	.	I	π-helix	trans	-64.8	-54.1	-175.7	-67.3	170.5	0	0	0	111	M210 H218 G219 F220 F272 V294 I296 L309 L313	M210-L214 WeakPolarHBondContact O-CB 3.47Å; M210-L214 WeakPolarHBondContact O-CG 3.46Å; M210-L214 PolarHBondContact O-N 3.26Å; L214-H218 CarbonylContact O-C 3.44Å; L214-H218 PolarHBondContact O-N 2.95Å; L214-G219 PolarHBondContact O-N 3.14Å; L214-G219 VanDerWaalsContact O-N 3.09Å; L214-F220 HydrophobicContact CB-CB 3.95Å; L214-F220 HydrophobicContact CB-CD2 4.18Å; L214-F220 HydrophobicContact CB-CG 4.11Å; L214-F220 HydrophobicContact CD2-CD1 4.47Å; L214-F220 HydrophobicContact CD2-CD2 3.86Å; L214-F220 HydrophobicContact CD2-CE2 3.91Å; L214-F220 HydrophobicContact CD2-CG 4.15Å; L214-F220 HydrophobicContact CD2-CZ 4.27Å; L214-F220 WeakPolarHBondContact O-CB 3.31Å; L214-F220 WeakPolarHBondContact O-CD2 3.21Å; L214-F220 PolarHBondContact O-N 2.93Å; L214-F272 HydrophobicContact CB-CD1 4.21Å; L214-F272 HydrophobicContact CB-CD2 4.45Å; L214-F272 HydrophobicContact CB-CE1 4.19Å; L214-F272 HydrophobicContact CB-CE2 4.45Å; L214-F272 HydrophobicContact CB-CG 4.32Å; L214-F272 HydrophobicContact CB-CZ 4.32Å; L214-F272 HydrophobicContact CD1-CB 4.05Å; L214-F272 HydrophobicContact CD1-CD1 4.43Å; L214-F272 HydrophobicContact CD1-CD2 3.42Å; L214-F272 VanDerWaalsContact CD1-CD2 3.42Å; L214-F272 HydrophobicContact CD1-CE2 3.92Å; L214-F272 HydrophobicContact CD1-CG 3.71Å; L214-V294 HydrophobicContact CD1-CG1 4.37Å; L214-I296 HydrophobicContact CD1-CD1 4.13Å; L214-I296 HydrophobicContact CD1-CG1 4.42Å; L214-I296 HydrophobicContact CD2-CD1 4.31Å; L214-L309 HydrophobicContact CD2-CD1 4.49Å; L214-L309 HydrophobicContact CD2-CD2 4.37Å; L214-L313 HydrophobicContact CD1-CD1 4.17Å; L214-L313 HydrophobicContact CD2-CD1 4.34Å; L214-L313 HydrophobicContact CG-CD1 3.96Å
215	C	98.7	Very high	98.6	Very high	41 Å²	41	57.1 Å²	57.1	28%	0.277	30%	0.303	S	S	.	.	I	π-helix	trans	-68	-57.1	-179.1	-59.6	0	0	0	0	112.4	R211 G219 F272	R211-C215 VanDerWaalsContact O-CB 3.29Å; R211-C215 WeakPolarHBondContact O-CB 3.34Å; R211-C215 PolarHBondContact O-N 3.09Å; R211-C215 PolarHBondContact O-SG 2.85Å; R211-C215 VanDerWaalsContact O-SG 3.4Å; C215-G219 WeakPolarHBondContact O-CA 3.47Å; C215-G219 PolarHBondContact O-N 3.36Å; C215-F272 WeakPolarHBondContact SG-CE1 3.49Å
216	N	98.6	Very high	98.5	Very high	132 Å²	132	54.6 Å²	54.6	71%	0.706	30%	0.297	S	S	*	.	I	π-helix	trans	-90.3	-21.3	-160.9	-51.2	-26.3	0	0	0	113.4	E212	E212-N216 WeakPolarHBondContact O-CA 3.39Å; E212-N216 WeakPolarHBondContact O-CB 3.43Å; E212-N216 PolarHBondContact O-N 2.96Å
217	V	98.6	Very high	98.4	Very high	83 Å²	83	57.5 Å²	57.5	50%	0.503	32%	0.315	S	S	.	.	I	π-helix	trans	-103.5	-41	178.7	-170	0	0	0	0	111.2	Y213	Y213-V217 VanDerWaalsContact O-CB 3.31Å; Y213-V217 WeakPolarHBondContact O-CB 3.35Å; Y213-V217 PolarHBondContact O-N 3.45Å
218	H	98.6	Very high	98.4	Very high	64 Å²	64	60.3 Å²	60.3	30%	0.296	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	2.6	-172.9	-70.6	-79.1	0	0	0	116	Y213 L214 F220 R270 L309	Y213-H218 AromaticContact CD1-CD2 3.83Å; Y213-H218 AromaticContact CD2-CD2 3.95Å; Y213-H218 AromaticContact CE1-CD2 3.42Å; Y213-H218 VanDerWaalsContact CE1-CD2 3.42Å; Y213-H218 WeakPolarHBondContact CE1-CD2 3.49Å; Y213-H218 AromaticContact CE1-NE2 3.83Å; Y213-H218 AromaticContact CE2-CD2 3.53Å; Y213-H218 AromaticContact CE2-NE2 3.33Å; Y213-H218 VanDerWaalsContact CE2-NE2 3.33Å; Y213-H218 WeakPolarHBondContact CE2-NE2 3.12Å; Y213-H218 AromaticContact CZ-CD2 3.25Å; Y213-H218 AromaticContact CZ-NE2 3.15Å; Y213-H218 PolarHBondContact O-N 3.45Å; Y213-H218 VanDerWaalsContact O-N 3.1Å; Y213-H218 PolarHBondContact OH-NE2 3.36Å; Y213-H218 VanDerWaalsContact OH-NE2 3.09Å; L214-H218 CarbonylContact O-C 3.44Å; L214-H218 PolarHBondContact O-N 2.95Å; H218-F220 HydrophobicContact CB-CD2 3.76Å; H218-F220 HydrophobicContact CB-CE2 3.79Å; H218-R270 WeakPolarHBondContact O-CD 3.48Å; H218-R270 PolarHBondContact O-NH1 2.96Å; H218-L309 HydrophobicContact CB-CD1 4.25Å
219	G	98.3	Very high	98.2	Very high	51 Å²	51	56.9 Å²	56.9	53%	0.526	31%	0.311	S	S	.	.			trans	74	23.2	170.3	0	0	0	0	0	115.3	L214 C215	L214-G219 PolarHBondContact O-N 3.14Å; L214-G219 VanDerWaalsContact O-N 3.09Å; C215-G219 WeakPolarHBondContact O-CA 3.47Å; C215-G219 PolarHBondContact O-N 3.36Å
220	F	98.8	Very high	97.8	Very high	9 Å²	9	57.4 Å²	57.4	4%	0.039	31%	0.314	C	S	.	.			trans	-74.8	149.8	177	-76.3	-103.3	0	0	0	113	L214 H218 R270 Y271 F272 I296 M298 L309	L214-F220 HydrophobicContact CB-CB 3.95Å; L214-F220 HydrophobicContact CB-CD2 4.18Å; L214-F220 HydrophobicContact CB-CG 4.11Å; L214-F220 HydrophobicContact CD2-CD1 4.47Å; L214-F220 HydrophobicContact CD2-CD2 3.86Å; L214-F220 HydrophobicContact CD2-CE2 3.91Å; L214-F220 HydrophobicContact CD2-CG 4.15Å; L214-F220 HydrophobicContact CD2-CZ 4.27Å; L214-F220 WeakPolarHBondContact O-CB 3.31Å; L214-F220 WeakPolarHBondContact O-CD2 3.21Å; L214-F220 PolarHBondContact O-N 2.93Å; H218-F220 HydrophobicContact CB-CD2 3.76Å; H218-F220 HydrophobicContact CB-CE2 3.79Å; F220-R270 WeakPolarHBondContact CA-O 3.48Å; F220-R270 HydrophobicContact CB-CB 4.3Å; F220-R270 HydrophobicContact CD1-CB 3.63Å; F220-R270 HydrophobicContact CD1-CG 4.43Å; F220-R270 HydrophobicContact CD2-CB 4.16Å; F220-R270 HydrophobicContact CD2-CG 4.46Å; F220-R270 HydrophobicContact CE1-CB 3.86Å; F220-R270 HydrophobicContact CE1-CG 4.23Å; F220-R270 HydrophobicContact CE2-CB 4.38Å; F220-R270 HydrophobicContact CE2-CG 4.29Å; F220-R270 HydrophobicContact CG-CB 3.78Å; F220-R270 HydrophobicContact CZ-CB 4.24Å; F220-R270 HydrophobicContact CZ-CG 4.17Å; F220-Y271 WeakPolarHBondContact CD1-O 3.41Å; F220-F272 HydrophobicContact CB-CD1 3.74Å; F220-F272 HydrophobicContact CB-CE1 4.23Å; F220-F272 HydrophobicContact CD1-CB 4.25Å; F220-I296 HydrophobicContact CD1-CG2 4.41Å; F220-I296 HydrophobicContact CE1-CG2 3.58Å; F220-I296 HydrophobicContact CZ-CG2 4.07Å; F220-M298 HydrophobicContact CE1-CG 3.75Å; F220-M298 HydrophobicContact CE1-SD 4.48Å; F220-M298 HydrophobicContact CE2-SD 4.49Å; F220-M298 HydrophobicContact CZ-CG 3.52Å; F220-M298 HydrophobicContact CZ-SD 3.66Å; F220-L309 HydrophobicContact CE1-CD2 4.43Å; F220-L309 HydrophobicContact CE2-CD1 3.81Å; F220-L309 HydrophobicContact CE2-CD2 3.98Å; F220-L309 HydrophobicContact CZ-CD1 4.19Å; F220-L309 HydrophobicContact CZ-CD2 3.5Å; F220-L309 HydrophobicContact CZ-CG 4.5Å
221	V	98.8	Very high	97.2	Very high	73 Å²	73	65.7 Å²	65.7	44%	0.442	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.9	171.9	-168.2	0	0	0	0	109.6	V223 V268 R270 F272	V221-V223 HydrophobicContact CB-CG2 4.08Å; V221-V223 HydrophobicContact CG1-CG2 3.7Å; V221-V223 PolarHBondContact O-N 3.1Å; V221-V268 HydrophobicContact CB-CG1 4.25Å; V221-V268 HydrophobicContact CG2-CG1 4.26Å; V221-R270 PolarHBondContact N-O 3.46Å; V221-F272 WeakPolarHBondContact O-CD1 3.31Å; V221-F272 PolarHBondContact O-N 3.19Å
222	D	98.4	Very high	96.3	Very high	58 Å²	58	64 Å²	64	31%	0.31	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	114	168.4	-170	45.5	0	0	0	108.1	R211 F272	R211-D222 IonicContact CZ-OD1 2.79Å; R211-D222 IonicContact CZ-OD2 3.42Å; R211-D222 VanDerWaalsContact CZ-OD2 3.27Å; R211-D222 IonicContact NH1-OD1 3.73Å; R211-D222 PolarHBondContact NH1-OD1 3.46Å; R211-D222 IonicContact NH1-OD2 2.84Å; R211-D222 PolarHBondContact NH1-OD2 2.95Å; R211-D222 IonicContact NH2-OD1 3.81Å; R211-D222 PolarHBondContact NH2-OD1 3.12Å; R211-D222 IonicContact NH2-OD2 3.2Å; R211-D222 PolarHBondContact NH2-OD2 2.81Å; D222-F272 WeakPolarHBondContact CA-O 3.27Å; D222-F272 HydrophobicContact CB-CD1 4.27Å; D222-F272 HydrophobicContact CB-CE1 3.56Å; D222-F272 HydrophobicContact CB-CZ 3.76Å
223	V	98.4	Very high	95	Very high	38 Å²	38	62.1 Å²	62.1	23%	0.23	33%	0.334	C	S	.	.			trans	-124.6	118.1	-177.4	-170.9	0	0	0	0	109.9	V221 L263 Y271 F272 Q273	V221-V223 HydrophobicContact CB-CG2 4.08Å; V221-V223 HydrophobicContact CG1-CG2 3.7Å; V221-V223 PolarHBondContact O-N 3.1Å; V223-L263 HydrophobicContact CB-CD1 4.08Å; V223-L263 HydrophobicContact CG1-CD1 3.96Å; V223-L263 HydrophobicContact CG1-CD2 4.35Å; V223-L263 HydrophobicContact CG2-CD1 4.46Å; V223-Y271 HydrophobicContact CB-CD2 3.9Å; V223-Y271 HydrophobicContact CB-CE2 4.15Å; V223-Y271 HydrophobicContact CG2-CD2 4.19Å; V223-F272 PolarHBondContact N-O 2.96Å; V223-F272 VanDerWaalsContact N-O 3.09Å; V223-Q273 VanDerWaalsContact O-CD 3.23Å; V223-Q273 VanDerWaalsContact O-CG 3.31Å; V223-Q273 WeakPolarHBondContact O-CG 3.32Å; V223-Q273 PolarHBondContact O-NE2 2.94Å
224	E	98.4	Very high	93.7	Very high	172 Å²	172	63.2 Å²	63.2	80%	0.804	35%	0.351	S	S	*	.			trans	-70.1	131.8	172.8	-66.2	-176.5	-157.5	0	0	110.9
225	T	97.8	Very high	92.6	Very high	17 Å²	17	66.9 Å²	66.9	10%	0.104	39%	0.389	C	S	.	.			trans	-111.8	143.4	178.1	61.1	0	0	0	0	111.8	T227 P256 F259 Y271 Q273	T225-T227 PolarHBondContact O-N 2.91Å; T225-P256 HydrophobicContact CG2-CB 4.22Å; T225-F259 HydrophobicContact CG2-CB 3.63Å; T225-F259 HydrophobicContact CG2-CD2 4.39Å; T225-F259 HydrophobicContact CG2-CG 4.17Å; T225-Y271 HydrophobicContact CG2-CE2 4.27Å; T225-Q273 VanDerWaalsContact N-OE1 3.11Å; T225-Q273 PolarHBondContact OG1-NE2 3.44Å; T225-Q273 PolarHBondContact OG1-OE1 3.02Å
226	P	97.3	Very high	91.7	Very high	71 Å²	71	65.9 Å²	65.9	46%	0.461	38%	0.383	S	S	.	.			trans	-54.6	134.9	-178.7	-27	33.9	0	0	0	114.9	F259	P226-F259 HydrophobicContact CB-CE2 4.07Å; P226-F259 HydrophobicContact CB-CZ 3.79Å; P226-F259 HydrophobicContact CG-CE1 4.07Å; P226-F259 HydrophobicContact CG-CE2 4.23Å; P226-F259 HydrophobicContact CG-CZ 3.68Å; P226-F259 WeakPolarHBondContact O-CE2 3.42Å
227	T	96.8	Very high	91.1	Very high	64 Å²	64	66.4 Å²	66.4	39%	0.393	38%	0.379	S	S	.	.	S	Bend	trans	-94.3	-13.3	174.8	52.7	0	0	0	0	114.1	T225 L252 P253 Y278	T225-T227 PolarHBondContact O-N 2.91Å; T227-L252 VanDerWaalsContact O-CD2 3.24Å; T227-L252 WeakPolarHBondContact O-CD2 3.43Å; T227-P253 WeakPolarHBondContact O-CD 3.48Å; T227-Y278 HydrophobicContact CG2-CE2 4.26Å
228	L	97	Very high	90.8	Very high	84 Å²	84	63.4 Å²	63.4	44%	0.44	36%	0.36	S	S	.	.	S	Bend	trans	-100.9	103.7	168.5	-64.5	178.9	0	0	0	107.9	V241 Y250 L252	L228-V241 HydrophobicContact CD2-CB 4.02Å; L228-V241 HydrophobicContact CD2-CG1 4.08Å; L228-V241 HydrophobicContact CD2-CG2 3.97Å; L228-Y250 HydrophobicContact CB-CD1 3.9Å; L228-Y250 HydrophobicContact CB-CE1 4.45Å; L228-Y250 HydrophobicContact CB-CG 3.95Å; L228-Y250 HydrophobicContact CD2-CG 4.39Å; L228-L252 HydrophobicContact CD2-CD2 4.07Å
229	F	94.4	Very high	90.6	Very high	36 Å²	36	63.5 Å²	63.5	16%	0.158	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-132.4	-178.6	-172.8	-166.6	-125.2	0	0	0	112.4	Y250 S251 Q258 F259	F229-Y250 CarbonylContact O-C 3.55Å; F229-Y250 VanDerWaalsContact O-CA 3.24Å; F229-Y250 WeakPolarHBondContact O-CA 3.18Å; F229-S251 PolarHBondContact N-O 2.82Å; F229-S251 PolarHBondContact O-N 3.14Å; F229-Q258 HydrophobicContact CE1-CB 4.33Å; F229-F259 HydrophobicContact CB-CE2 4.42Å; F229-F259 HydrophobicContact CD1-CE2 4.36Å; F229-F259 HydrophobicContact CD2-CE1 4.18Å; F229-F259 AromaticContact CD2-CE2 3.73Å; F229-F259 HydrophobicContact CD2-CE2 3.73Å; F229-F259 AromaticContact CD2-CZ 3.27Å; F229-F259 HydrophobicContact CD2-CZ 3.27Å; F229-F259 AromaticContact CE2-CE1 3.86Å; F229-F259 HydrophobicContact CE2-CE1 3.86Å; F229-F259 HydrophobicContact CE2-CE2 4.02Å; F229-F259 AromaticContact CE2-CZ 3.4Å; F229-F259 HydrophobicContact CE2-CZ 3.4Å; F229-F259 AromaticContact CG-CE2 3.91Å; F229-F259 HydrophobicContact CG-CE2 3.91Å; F229-F259 AromaticContact CG-CZ 3.95Å; F229-F259 HydrophobicContact CG-CZ 3.95Å; F229-F259 HydrophobicContact CZ-CE2 4.45Å; F229-F259 HydrophobicContact CZ-CZ 4.16Å
230	K	90.3	Very high	90.5	Very high	77 Å²	77	65.6 Å²	65.6	34%	0.335	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-81.4	155.3	170.1	59.3	-176.5	-77	-173.6	0	110.8	L576 H579	K230-L576 WeakPolarHBondContact CE-O 3.46Å; K230-L576 PolarHBondContact NZ-O 3.39Å; K230-H579 PolarHBondContact NZ-CE1 2.86Å; K230-H579 VanDerWaalsContact NZ-CE1 3.29Å; K230-H579 PolarHBondContact NZ-ND1 2.79Å
231	R	86.3	Confident	90.4	Very high	177 Å²	177	67.5 Å²	67.5	67%	0.668	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-59.8	140.3	173.5	171.6	169.2	179.3	-137.4	-5.2	112	E238 S251	R231-E238 VanDerWaalsContact CA-OE2 3.25Å; R231-E238 WeakPolarHBondContact CA-OE2 3.37Å; R231-E238 WeakPolarHBondContact CG-OE2 3.4Å; R231-S251 WeakPolarHBondContact CA-OG 3.38Å
232	T	80.6	Confident	90.3	Very high	27 Å²	27	65.8 Å²	65.8	17%	0.166	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-97.3	145.9	172.5	-42.8	0	0	0	0	110.4	E238 Q258	T232-E238 WeakPolarHBondContact CB-OE1 3.47Å; T232-E238 PolarHBondContact N-OE1 2.95Å; T232-E238 PolarHBondContact N-OE2 2.98Å; T232-E238 PolarHBondContact OG1-OE1 3.47Å; T232-Q258 VanDerWaalsContact CG2-NE2 3.32Å; T232-Q258 PolarHBondContact OG1-NE2 2.93Å; T232-Q258 VanDerWaalsContact OG1-NE2 3.11Å
233	P	72.4	Confident	90.2	Very high	12 Å²	12	63.6 Å²	63.6	8%	0.078	35%	0.354	C	S	.	.	S	Bend	trans	-72.5	155.1	163.1	31	-34.4	0	0	0	111.5	L576 L577	P233-L576 HydrophobicContact CB-CD1 3.92Å; P233-L576 HydrophobicContact CG-CB 4.33Å; P233-L576 HydrophobicContact CG-CD1 4.26Å; P233-L577 HydrophobicContact CG-CD1 3.76Å; P233-L577 HydrophobicContact CG-CG 4.08Å
234	G	70.4	Confident	90.1	Very high	42 Å²	42	70.2 Å²	70.2	43%	0.433	37%	0.374	S	S	.	.	S	Bend	trans	66.1	-176.6	-177.6	0	0	0	0	0	115.7	Q254	G234-Q254 PolarHBondContact O-NE2 2.73Å
235	G	75.3	Confident	90	Very high	77 Å²	77	67.4 Å²	67.4	79%	0.794	36%	0.361	S	S	*	.	S	Bend	trans	74.6	-157.6	176.3	0	0	0	0	0	115.1
236	A	79.8	Confident	90	Very high	20 Å²	20	71.1 Å²	71.1	17%	0.165	39%	0.386	C	S	.	.	S	Bend	trans	-76.7	164.9	178.5	0	0	0	0	0	111.8	Q254 R279 E281	A236-Q254 PolarHBondContact O-NE2 2.79Å; A236-Q254 PolarHBondContact O-OE1 3.21Å; A236-R279 HydrophobicContact CB-CB 4.18Å; A236-R279 HydrophobicContact CB-CG 3.9Å; A236-E281 HydrophobicContact CB-CG 4.08Å
237	K	87	Confident	89.9	Confident	143 Å²	143	70.5 Å²	70.5	62%	0.622	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-65.8	138	173.2	-167.3	175.7	176.1	-123.9	0	110.4	D280	K237-D280 HydrophobicContact CB-CB 4.18Å; K237-D280 HydrophobicContact CD-CB 4.49Å; K237-D280 WeakPolarHBondContact CD-OD2 3.39Å; K237-D280 WeakPolarHBondContact CE-OD2 3.1Å; K237-D280 HydrophobicContact CG-CB 4.16Å; K237-D280 IonicContact NZ-OD2 2.72Å; K237-D280 PolarHBondContact NZ-OD2 3.16Å; K237-D280 PolarHBondContact O-N 2.77Å
238	E	91.4	Very high	89.8	Confident	19 Å²	19	72 Å²	72	9%	0.089	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-98.8	145	-176.9	-65.3	177.9	163.2	0	0	111.7	R231 T232 S251 Q254	R231-E238 VanDerWaalsContact CA-OE2 3.25Å; R231-E238 WeakPolarHBondContact CA-OE2 3.37Å; R231-E238 WeakPolarHBondContact CG-OE2 3.4Å; T232-E238 WeakPolarHBondContact CB-OE1 3.47Å; T232-E238 PolarHBondContact N-OE1 2.95Å; T232-E238 PolarHBondContact N-OE2 2.98Å; T232-E238 PolarHBondContact OG1-OE1 3.47Å; E238-S251 WeakPolarHBondContact OE2-CB 3.41Å; E238-S251 PolarHBondContact OE2-OG 2.81Å; E238-Q254 HydrophobicContact CG-CG 3.81Å; E238-Q254 PolarHBondContact OE1-NE2 2.89Å; E238-Q254 VanDerWaalsContact OE1-NE2 3.13Å
239	F	94.8	Very high	89.8	Confident	67 Å²	67	72.9 Å²	72.9	29%	0.294	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-75.2	133	165.7	-73	-76.5	0	0	0	109.9	S251 L252 R279 D280 P289	F239-S251 CarbonylContact O-C 3.5Å; F239-S251 WeakPolarHBondContact O-CA 3.28Å; F239-L252 HydrophobicContact CB-CB 4.26Å; F239-L252 HydrophobicContact CB-CD1 3.92Å; F239-L252 HydrophobicContact CB-CG 4.14Å; F239-L252 PolarHBondContact O-N 3.11Å; F239-R279 VanDerWaalsContact CE2-C 3.45Å; F239-R279 WeakPolarHBondContact CE2-O 3.11Å; F239-D280 HydrophobicContact CD1-CB 4.14Å; F239-D280 HydrophobicContact CD2-CB 4.14Å; F239-D280 HydrophobicContact CE1-CB 3.99Å; F239-D280 WeakPolarHBondContact CE1-OD1 3.06Å; F239-D280 HydrophobicContact CE2-CB 4.03Å; F239-D280 HydrophobicContact CG-CB 4.2Å; F239-D280 HydrophobicContact CZ-CB 3.94Å; F239-P289 HydrophobicContact CE2-CB 3.82Å; F239-P289 HydrophobicContact CZ-CB 3.75Å
240	V	95.8	Very high	89.9	Confident	94 Å²	94	75.4 Å²	75.4	57%	0.57	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	145.5	177.2	-64.8	0	0	0	0	112.2	Y250	V240-Y250 CarbonylContact C-O 3.55Å; V240-Y250 VanDerWaalsContact CA-O 3.27Å; V240-Y250 WeakPolarHBondContact CA-O 3.28Å
241	V	97	Very high	90.2	Very high	49 Å²	49	72 Å²	72	30%	0.297	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.1	175.5	-176.5	0	0	0	0	108.2	L228 F249 Y250 L252	L228-V241 HydrophobicContact CD2-CB 4.02Å; L228-V241 HydrophobicContact CD2-CG1 4.08Å; L228-V241 HydrophobicContact CD2-CG2 3.97Å; V241-F249 WeakPolarHBondContact O-CA 3.22Å; V241-Y250 PolarHBondContact N-O 3.13Å; V241-Y250 PolarHBondContact O-N 3.49Å; V241-L252 HydrophobicContact CG2-CD2 3.78Å; V241-L252 HydrophobicContact CG2-CG 4.04Å
242	P	96.5	Very high	90.7	Very high	37 Å²	37	65 Å²	65	24%	0.24	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.8	-175.9	29	-35.1	0	0	0	112.4	F249 Y642 I644	P242-F249 HydrophobicContact CB-CD1 3.98Å; P242-F249 HydrophobicContact CB-CE1 3.88Å; P242-Y642 HydrophobicContact CB-CD1 3.99Å; P242-Y642 HydrophobicContact CB-CG 4.18Å; P242-Y642 HydrophobicContact CG-CD1 3.91Å; P242-Y642 HydrophobicContact CG-CG 4.01Å; P242-I644 HydrophobicContact CB-CD1 4.41Å; P242-I644 HydrophobicContact CG-CD1 4.23Å
243	S	96.8	Very high	91.4	Very high	13 Å²	13	64.3 Å²	64.3	9%	0.091	37%	0.365	C	S	.	.			trans	-82.5	162.3	164.9	-169.4	0	0	0	0	110.6	E245 L248 Y642	S243-E245 PolarHBondContact OG-N 2.94Å; S243-L248 VanDerWaalsContact CB-O 3.23Å; S243-L248 WeakPolarHBondContact CB-O 2.99Å; S243-L248 PolarHBondContact N-O 3.41Å; S243-Y642 WeakPolarHBondContact O-CD1 3.12Å
244	R	96.2	Very high	92.4	Very high	176 Å²	176	64.9 Å²	64.9	66%	0.664	37%	0.367	S	S	*	.	S	Bend	trans	-76.1	-10.2	164.3	-66.9	-175.9	177.4	-178.2	-1.5	112.5	Y642	R244-Y642 HydrophobicContact CG-CD1 4.11Å; R244-Y642 HydrophobicContact CG-CE1 3.87Å
245	E	97.1	Very high	93.5	Very high	113 Å²	113	64.6 Å²	64.6	53%	0.528	36%	0.358	S	S	.	.	S	Bend	trans	-79.2	121.7	171.1	-69.2	175.4	-92.1	0	0	109.7	S243 G247 L248	S243-E245 PolarHBondContact OG-N 2.94Å; E245-G247 PolarHBondContact O-N 2.99Å; E245-L248 HydrophobicContact CB-CB 4.23Å; E245-L248 HydrophobicContact CB-CD1 3.93Å; E245-L248 HydrophobicContact CB-CG 4.29Å; E245-L248 PolarHBondContact O-N 3.17Å; E245-L248 VanDerWaalsContact O-N 3.09Å
246	P	96.3	Very high	94.4	Very high	95 Å²	95	61.1 Å²	61.1	62%	0.617	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	121.5	-171.6	-26	31.3	0	0	0	113.6	L248 H643	P246-L248 VanDerWaalsContact C-N 3.3Å; P246-L248 PolarHBondContact O-N 2.88Å; P246-H643 HydrophobicContact CB-CB 4.44Å
247	G	94.9	Very high	95.1	Very high	59 Å²	59	61.2 Å²	61.2	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	1.7	176.8	0	0	0	0	0	115.6	E245	E245-G247 PolarHBondContact O-N 2.99Å
248	L	95.9	Very high	95.5	Very high	95 Å²	95	54.7 Å²	54.7	50%	0.497	29%	0.29	S	S	.	.			trans	-98.9	141.6	175.1	-60	-174.2	0	0	0	111.6	S243 E245 P246	S243-L248 VanDerWaalsContact CB-O 3.23Å; S243-L248 WeakPolarHBondContact CB-O 2.99Å; S243-L248 PolarHBondContact N-O 3.41Å; E245-L248 HydrophobicContact CB-CB 4.23Å; E245-L248 HydrophobicContact CB-CD1 3.93Å; E245-L248 HydrophobicContact CB-CG 4.29Å; E245-L248 PolarHBondContact O-N 3.17Å; E245-L248 VanDerWaalsContact O-N 3.09Å; P246-L248 VanDerWaalsContact C-N 3.3Å; P246-L248 PolarHBondContact O-N 2.88Å
249	F	96.6	Very high	95.7	Very high	102 Å²	102	55.5 Å²	55.5	45%	0.447	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.7	-176.9	-62.2	-99.2	0	0	0	109.7	V241 P242 I644	V241-F249 WeakPolarHBondContact O-CA 3.22Å; P242-F249 HydrophobicContact CB-CD1 3.98Å; P242-F249 HydrophobicContact CB-CE1 3.88Å; F249-I644 HydrophobicContact CE1-CG2 4.29Å; F249-I644 HydrophobicContact CZ-CG2 4.1Å
250	Y	97.3	Very high	95.9	Very high	90 Å²	90	52.4 Å²	52.4	35%	0.353	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	153.7	163.3	-55.5	-84.7	0	0	0	109.7	L228 F229 V240 V241	L228-Y250 HydrophobicContact CB-CD1 3.9Å; L228-Y250 HydrophobicContact CB-CE1 4.45Å; L228-Y250 HydrophobicContact CB-CG 3.95Å; L228-Y250 HydrophobicContact CD2-CG 4.39Å; F229-Y250 CarbonylContact O-C 3.55Å; F229-Y250 VanDerWaalsContact O-CA 3.24Å; F229-Y250 WeakPolarHBondContact O-CA 3.18Å; V240-Y250 CarbonylContact C-O 3.55Å; V240-Y250 VanDerWaalsContact CA-O 3.27Å; V240-Y250 WeakPolarHBondContact CA-O 3.28Å; V241-Y250 PolarHBondContact N-O 3.13Å; V241-Y250 PolarHBondContact O-N 3.49Å
251	S	96.2	Very high	96	Very high	6 Å²	6	48 Å²	48	4%	0.042	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	146.8	160.7	-74.2	0	0	0	0	110.1	F229 R231 E238 F239	F229-S251 PolarHBondContact N-O 2.82Å; F229-S251 PolarHBondContact O-N 3.14Å; R231-S251 WeakPolarHBondContact CA-OG 3.38Å; E238-S251 WeakPolarHBondContact OE2-CB 3.41Å; E238-S251 PolarHBondContact OE2-OG 2.81Å; F239-S251 CarbonylContact O-C 3.5Å; F239-S251 WeakPolarHBondContact O-CA 3.28Å
252	L	96.4	Very high	96	Very high	29 Å²	29	47.9 Å²	47.9	15%	0.152	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-80.8	135.5	162.6	-58.5	-174.2	0	0	0	109.9	T227 L228 F239 V241 Y278	T227-L252 VanDerWaalsContact O-CD2 3.24Å; T227-L252 WeakPolarHBondContact O-CD2 3.43Å; L228-L252 HydrophobicContact CD2-CD2 4.07Å; F239-L252 HydrophobicContact CB-CB 4.26Å; F239-L252 HydrophobicContact CB-CD1 3.92Å; F239-L252 HydrophobicContact CB-CG 4.14Å; F239-L252 PolarHBondContact O-N 3.11Å; V241-L252 HydrophobicContact CG2-CD2 3.78Å; V241-L252 HydrophobicContact CG2-CG 4.04Å; L252-Y278 HydrophobicContact CB-CD1 4.41Å; L252-Y278 HydrophobicContact CB-CD2 3.75Å; L252-Y278 HydrophobicContact CB-CE2 4.4Å; L252-Y278 HydrophobicContact CB-CG 3.73Å; L252-Y278 HydrophobicContact CD1-CD1 3.74Å; L252-Y278 HydrophobicContact CD1-CD2 4.39Å; L252-Y278 HydrophobicContact CD1-CE1 3.98Å; L252-Y278 HydrophobicContact CD1-CG 3.94Å; L252-Y278 HydrophobicContact CG-CG 4.46Å
253	P	94.5	Very high	96.1	Very high	12 Å²	12	47.8 Å²	47.8	8%	0.078	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-73.5	135.4	-170.7	27.5	-35.7	0	0	0	113.6	T227 S255 Y278	T227-P253 WeakPolarHBondContact O-CD 3.48Å; P253-S255 PolarHBondContact O-N 3.01Å; P253-Y278 HydrophobicContact CG-CD2 4.45Å; P253-Y278 PolarHBondContact O-N 3.32Å
254	Q	93.4	Very high	96.2	Very high	25 Å²	25	47.3 Å²	47.3	12%	0.117	24%	0.244	C	C	.	.	S	Bend	trans	-66.8	-25.9	170.9	-54.4	-178.8	48.9	0	0	112.9	G234 A236 E238 Y278	G234-Q254 PolarHBondContact O-NE2 2.73Å; A236-Q254 PolarHBondContact O-NE2 2.79Å; A236-Q254 PolarHBondContact O-OE1 3.21Å; E238-Q254 HydrophobicContact CG-CG 3.81Å; E238-Q254 PolarHBondContact OE1-NE2 2.89Å; E238-Q254 VanDerWaalsContact OE1-NE2 3.13Å; Q254-Y278 WeakPolarHBondContact CA-O 3.44Å
255	S	94	Very high	96.3	Very high	35 Å²	35	40.7 Å²	40.7	25%	0.245	22%	0.223	C	C	.	.			trans	-171.8	166.9	169.9	60	0	0	0	0	108.9	P253 Q257	P253-S255 PolarHBondContact O-N 3.01Å; S255-Q257 PolarHBondContact O-N 3.45Å; S255-Q257 WeakPolarHBondContact OG-CB 2.92Å
256	P	95.3	Very high	96.4	Very high	4 Å²	4	39 Å²	39	3%	0.026	23%	0.228	C	C	.	.	S	Bend	trans	-71.8	13.9	173.6	-16.6	32	0	0	0	115.4	T225 Q258 F259 K260 Y271 A275 D295	T225-P256 HydrophobicContact CG2-CB 4.22Å; P256-Q258 VanDerWaalsContact C-N 3.26Å; P256-Q258 PolarHBondContact O-N 2.86Å; P256-F259 PolarHBondContact O-N 2.78Å; P256-K260 PolarHBondContact O-N 3.26Å; P256-Y271 WeakPolarHBondContact CB-OH 3.31Å; P256-A275 HydrophobicContact CG-CB 3.59Å; P256-D295 WeakPolarHBondContact CB-OD2 3.41Å; P256-D295 HydrophobicContact CG-CB 4.39Å; P256-D295 VanDerWaalsContact CG-OD2 3.31Å; P256-D295 WeakPolarHBondContact CG-OD2 3.25Å
257	Q	94	Very high	96.5	Very high	22 Å²	22	37.4 Å²	37.4	10%	0.103	23%	0.229	C	C	.	.	H	α-helix	trans	-50.9	-34.2	-167.5	179.7	60.8	45.4	0	0	115.2	S255 Q261 H515 F517	S255-Q257 PolarHBondContact O-N 3.45Å; S255-Q257 WeakPolarHBondContact OG-CB 2.92Å; Q257-Q261 WeakPolarHBondContact O-CG 3.1Å; Q257-Q261 PolarHBondContact O-NE2 2.95Å; Q257-H515 VanDerWaalsContact CD-NE2 3.3Å; Q257-H515 PolarHBondContact NE2-NE2 2.84Å; Q257-H515 PolarHBondContact OE1-NE2 2.93Å; Q257-F517 HydrophobicContact CG-CD2 3.75Å; Q257-F517 HydrophobicContact CG-CE2 3.97Å
258	Q	94.4	Very high	96.6	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-76	-46.7	175	-63.8	-169.9	47.9	0	0	111.9	F229 T232 P256 K260 Q261 L262 F517 H579	F229-Q258 HydrophobicContact CE1-CB 4.33Å; T232-Q258 VanDerWaalsContact CG2-NE2 3.32Å; T232-Q258 PolarHBondContact OG1-NE2 2.93Å; T232-Q258 VanDerWaalsContact OG1-NE2 3.11Å; P256-Q258 VanDerWaalsContact C-N 3.26Å; P256-Q258 PolarHBondContact O-N 2.86Å; Q258-K260 PolarHBondContact O-N 3.37Å; Q258-Q261 PolarHBondContact O-N 3.48Å; Q258-L262 WeakPolarHBondContact O-CG 3.27Å; Q258-L262 PolarHBondContact O-N 2.72Å; Q258-F517 HydrophobicContact CG-CZ 4.45Å; Q258-H579 PolarHBondContact OE1-CE1 2.84Å; Q258-H579 VanDerWaalsContact OE1-CE1 3.26Å; Q258-H579 PolarHBondContact OE1-NE2 3.2Å
259	F	97.3	Very high	96.8	Very high	36 Å²	36	34.7 Å²	34.7	16%	0.158	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-41.7	-178.6	-72.7	-63.2	0	0	0	112.8	T225 P226 F229 P256 Q261 L262 L263	T225-F259 HydrophobicContact CG2-CB 3.63Å; T225-F259 HydrophobicContact CG2-CD2 4.39Å; T225-F259 HydrophobicContact CG2-CG 4.17Å; P226-F259 HydrophobicContact CB-CE2 4.07Å; P226-F259 HydrophobicContact CB-CZ 3.79Å; P226-F259 HydrophobicContact CG-CE1 4.07Å; P226-F259 HydrophobicContact CG-CE2 4.23Å; P226-F259 HydrophobicContact CG-CZ 3.68Å; P226-F259 WeakPolarHBondContact O-CE2 3.42Å; F229-F259 HydrophobicContact CB-CE2 4.42Å; F229-F259 HydrophobicContact CD1-CE2 4.36Å; F229-F259 HydrophobicContact CD2-CE1 4.18Å; F229-F259 AromaticContact CD2-CE2 3.73Å; F229-F259 HydrophobicContact CD2-CE2 3.73Å; F229-F259 AromaticContact CD2-CZ 3.27Å; F229-F259 HydrophobicContact CD2-CZ 3.27Å; F229-F259 AromaticContact CE2-CE1 3.86Å; F229-F259 HydrophobicContact CE2-CE1 3.86Å; F229-F259 HydrophobicContact CE2-CE2 4.02Å; F229-F259 AromaticContact CE2-CZ 3.4Å; F229-F259 HydrophobicContact CE2-CZ 3.4Å; F229-F259 AromaticContact CG-CE2 3.91Å; F229-F259 HydrophobicContact CG-CE2 3.91Å; F229-F259 AromaticContact CG-CZ 3.95Å; F229-F259 HydrophobicContact CG-CZ 3.95Å; F229-F259 HydrophobicContact CZ-CE2 4.45Å; F229-F259 HydrophobicContact CZ-CZ 4.16Å; P256-F259 PolarHBondContact O-N 2.78Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.01Å; F259-L262 CarbonylContact O-C 3.41Å; F259-L262 WeakPolarHBondContact O-CA 3.32Å; F259-L262 WeakPolarHBondContact O-CB 3.41Å; F259-L262 PolarHBondContact O-N 2.8Å; F259-L262 VanDerWaalsContact O-N 3.09Å; F259-L263 WeakPolarHBondContact O-CG 3.45Å; F259-L263 PolarHBondContact O-N 2.71Å
260	K	96.9	Very high	96.9	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-64.4	-36	-178.6	70.9	-169.7	-166.9	147.9	0	113.3	P256 Q258 L263 M264 Y271 D295 I296 E297	P256-K260 PolarHBondContact O-N 3.26Å; Q258-K260 PolarHBondContact O-N 3.37Å; K260-L263 PolarHBondContact O-N 3.05Å; K260-M264 WeakPolarHBondContact O-CG 3.44Å; K260-M264 PolarHBondContact O-N 3.2Å; K260-Y271 HydrophobicContact CB-CD1 3.58Å; K260-Y271 HydrophobicContact CB-CE1 3.35Å; K260-Y271 HydrophobicContact CB-CG 4.35Å; K260-Y271 HydrophobicContact CD-CE1 3.96Å; K260-Y271 HydrophobicContact CG-CE1 4.34Å; K260-D295 VanDerWaalsContact CD-OD1 3.28Å; K260-D295 WeakPolarHBondContact CD-OD1 3.49Å; K260-D295 VanDerWaalsContact CD-OD2 3.28Å; K260-D295 WeakPolarHBondContact CD-OD2 3.38Å; K260-D295 VanDerWaalsContact CE-OD1 3.32Å; K260-D295 WeakPolarHBondContact CE-OD1 3.48Å; K260-D295 IonicContact NZ-OD1 3.66Å; K260-D295 PolarHBondContact NZ-OD1 3.33Å; K260-I296 PolarHBondContact NZ-O 3.02Å; K260-E297 HydrophobicContact CB-CB 3.99Å; K260-E297 HydrophobicContact CB-CG 4.33Å; K260-E297 HydrophobicContact CD-CB 4.19Å; K260-E297 HydrophobicContact CD-CG 4.46Å; K260-E297 WeakPolarHBondContact CD-OE2 3.27Å; K260-E297 WeakPolarHBondContact CE-OE2 3.31Å; K260-E297 HydrophobicContact CG-CB 4.13Å; K260-E297 HydrophobicContact CG-CG 4.11Å; K260-E297 IonicContact NZ-OE2 2.64Å; K260-E297 PolarHBondContact NZ-OE2 2.8Å
261	Q	97.9	Very high	96.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-44.3	170.9	-65.1	177.8	85.3	0	0	111.1	Q257 Q258 F259 L263 M264 V265 R555 L580 H591	Q257-Q261 WeakPolarHBondContact O-CG 3.1Å; Q257-Q261 PolarHBondContact O-NE2 2.95Å; Q258-Q261 PolarHBondContact O-N 3.48Å; F259-Q261 VanDerWaalsContact C-N 3.32Å; F259-Q261 PolarHBondContact O-N 3.01Å; Q261-L263 VanDerWaalsContact C-N 3.28Å; Q261-L263 PolarHBondContact O-N 3.3Å; Q261-M264 WeakPolarHBondContact O-CB 3.49Å; Q261-M264 PolarHBondContact O-N 3Å; Q261-M264 VanDerWaalsContact O-N 3.07Å; Q261-V265 PolarHBondContact O-N 3.46Å; Q261-V265 VanDerWaalsContact O-N 3.12Å; Q261-R555 HydrophobicContact CG-CG 4.32Å; Q261-L580 HydrophobicContact CB-CD1 4.15Å; Q261-H591 WeakPolarHBondContact CG-NE2 3.25Å
262	L	98.4	Very high	97.1	Very high	48 Å²	48	28.9 Å²	28.9	25%	0.251	18%	0.176	S	C	.	.	H	α-helix	trans	-62	-32.3	174.9	-62.4	173.1	0	0	0	112.8	Q258 F259 M264 V265 A266 L580 A583	Q258-L262 WeakPolarHBondContact O-CG 3.27Å; Q258-L262 PolarHBondContact O-N 2.72Å; F259-L262 CarbonylContact O-C 3.41Å; F259-L262 WeakPolarHBondContact O-CA 3.32Å; F259-L262 WeakPolarHBondContact O-CB 3.41Å; F259-L262 PolarHBondContact O-N 2.8Å; F259-L262 VanDerWaalsContact O-N 3.09Å; L262-M264 VanDerWaalsContact C-N 3.34Å; L262-V265 PolarHBondContact O-N 2.93Å; L262-A266 WeakPolarHBondContact O-CB 3.34Å; L262-A266 PolarHBondContact O-N 3.01Å; L262-L580 HydrophobicContact CD2-CD1 3.99Å; L262-L580 HydrophobicContact CG-CD1 4.34Å; L262-A583 HydrophobicContact CD2-CB 3.3Å
263	L	98.7	Very high	97.2	Very high	35 Å²	35	28.4 Å²	28.4	18%	0.183	17%	0.173	C	C	.	.	H	α-helix	trans	-70	-29	174	-66.4	172.4	0	0	0	112.6	V223 F259 K260 Q261 A266 G267 V268 Y271	V223-L263 HydrophobicContact CB-CD1 4.08Å; V223-L263 HydrophobicContact CG1-CD1 3.96Å; V223-L263 HydrophobicContact CG1-CD2 4.35Å; V223-L263 HydrophobicContact CG2-CD1 4.46Å; F259-L263 WeakPolarHBondContact O-CG 3.45Å; F259-L263 PolarHBondContact O-N 2.71Å; K260-L263 PolarHBondContact O-N 3.05Å; Q261-L263 VanDerWaalsContact C-N 3.28Å; Q261-L263 PolarHBondContact O-N 3.3Å; L263-A266 PolarHBondContact O-N 3.05Å; L263-G267 PolarHBondContact O-N 3.07Å; L263-V268 HydrophobicContact CB-CB 4.31Å; L263-V268 HydrophobicContact CB-CG2 4.04Å; L263-V268 HydrophobicContact CD2-CG2 4.08Å; L263-V268 WeakPolarHBondContact O-CB 3.44Å; L263-V268 WeakPolarHBondContact O-CG2 3.16Å; L263-V268 PolarHBondContact O-N 3.11Å; L263-Y271 HydrophobicContact CD1-CD2 3.36Å; L263-Y271 HydrophobicContact CD1-CE2 3.75Å; L263-Y271 HydrophobicContact CD1-CG 4.02Å
264	M	98.8	Very high	97.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-43.6	170.5	-57.3	-60.7	89.7	0	0	111	K260 Q261 L262 A266 G267 V268 E297 S299 P589 H591	K260-M264 WeakPolarHBondContact O-CG 3.44Å; K260-M264 PolarHBondContact O-N 3.2Å; Q261-M264 WeakPolarHBondContact O-CB 3.49Å; Q261-M264 PolarHBondContact O-N 3Å; Q261-M264 VanDerWaalsContact O-N 3.07Å; L262-M264 VanDerWaalsContact C-N 3.34Å; M264-A266 VanDerWaalsContact C-N 3.27Å; M264-A266 PolarHBondContact O-N 3.33Å; M264-G267 PolarHBondContact O-N 2.76Å; M264-G267 VanDerWaalsContact O-N 3.09Å; M264-V268 HydrophobicContact CE-CB 4.33Å; M264-E297 HydrophobicContact CE-CB 4.34Å; M264-E297 HydrophobicContact CG-CB 4.4Å; M264-E297 HydrophobicContact CG-CG 3.71Å; M264-E297 HydrophobicContact SD-CB 4.14Å; M264-E297 HydrophobicContact SD-CG 3.96Å; M264-S299 WeakPolarHBondContact CB-OG 3.34Å; M264-S299 PolarHBondContact SD-N 3.45Å; M264-S299 VanDerWaalsContact SD-N 3.36Å; M264-S299 PolarHBondContact SD-OG 3.49Å; M264-P589 HydrophobicContact CB-CG 4.21Å; M264-H591 HydrophobicContact CB-CB 3.99Å; M264-H591 HydrophobicContact CG-CB 3.79Å; M264-H591 HydrophobicContact SD-CB 4.48Å
265	V	98.6	Very high	97.6	Very high	38 Å²	38	28.6 Å²	28.6	23%	0.23	18%	0.176	C	C	.	.	H	α-helix	trans	-59.4	-38.5	171.6	-177.2	0	0	0	0	111.5	Q261 L262 G267 A583 A588	Q261-V265 PolarHBondContact O-N 3.46Å; Q261-V265 VanDerWaalsContact O-N 3.12Å; L262-V265 PolarHBondContact O-N 2.93Å; V265-G267 PolarHBondContact O-N 3.26Å; V265-A583 HydrophobicContact CG1-CB 4.39Å; V265-A583 WeakPolarHBondContact CG1-O 3.37Å; V265-A583 HydrophobicContact CG2-CB 4.37Å; V265-A588 HydrophobicContact CG2-CB 3.76Å
266	A	98.4	Very high	97.7	Very high	76 Å²	76	32.2 Å²	32.2	63%	0.628	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-0.3	177.4	0	0	0	0	0	114.7	L262 L263 M264	L262-A266 WeakPolarHBondContact O-CB 3.34Å; L262-A266 PolarHBondContact O-N 3.01Å; L263-A266 PolarHBondContact O-N 3.05Å; M264-A266 VanDerWaalsContact C-N 3.27Å; M264-A266 PolarHBondContact O-N 3.33Å
267	G	98.1	Very high	97.8	Very high	62 Å²	62	32 Å²	32	64%	0.639	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.7	25.4	176.5	0	0	0	0	0	115	L263 M264 V265 D269	L263-G267 PolarHBondContact O-N 3.07Å; M264-G267 PolarHBondContact O-N 2.76Å; M264-G267 VanDerWaalsContact O-N 3.09Å; V265-G267 PolarHBondContact O-N 3.26Å; G267-D269 PolarHBondContact O-N 3.29Å
268	V	98.6	Very high	97.9	Very high	44 Å²	44	33 Å²	33	27%	0.267	19%	0.186	S	C	.	.			trans	-68.4	-19.2	174.7	177.4	0	0	0	0	112.3	V221 L263 M264 R270	V221-V268 HydrophobicContact CB-CG1 4.25Å; V221-V268 HydrophobicContact CG2-CG1 4.26Å; L263-V268 HydrophobicContact CB-CB 4.31Å; L263-V268 HydrophobicContact CB-CG2 4.04Å; L263-V268 HydrophobicContact CD2-CG2 4.08Å; L263-V268 WeakPolarHBondContact O-CB 3.44Å; L263-V268 WeakPolarHBondContact O-CG2 3.16Å; L263-V268 PolarHBondContact O-N 3.11Å; M264-V268 HydrophobicContact CE-CB 4.33Å; V268-R270 PolarHBondContact O-N 2.75Å
269	D	98.5	Very high	97.8	Very high	54 Å²	54	36.5 Å²	36.5	29%	0.289	20%	0.199	S	C	.	.	S	Bend	trans	60.1	-51.2	-174.5	-167	68.1	0	0	0	115	G267 M298 S299	G267-D269 PolarHBondContact O-N 3.29Å; D269-M298 CarbonylContact O-C 3.53Å; D269-M298 VanDerWaalsContact O-CA 3.29Å; D269-M298 WeakPolarHBondContact O-CA 3.39Å; D269-S299 PolarHBondContact O-N 3.44Å
270	R	98.8	Very high	97.5	Very high	75 Å²	75	37.4 Å²	37.4	28%	0.283	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	97.4	-172.2	-74	155.1	-165.9	-90.2	-19.7	110.6	H218 F220 V221 V268 M298	H218-R270 WeakPolarHBondContact O-CD 3.48Å; H218-R270 PolarHBondContact O-NH1 2.96Å; F220-R270 WeakPolarHBondContact CA-O 3.48Å; F220-R270 HydrophobicContact CB-CB 4.3Å; F220-R270 HydrophobicContact CD1-CB 3.63Å; F220-R270 HydrophobicContact CD1-CG 4.43Å; F220-R270 HydrophobicContact CD2-CB 4.16Å; F220-R270 HydrophobicContact CD2-CG 4.46Å; F220-R270 HydrophobicContact CE1-CB 3.86Å; F220-R270 HydrophobicContact CE1-CG 4.23Å; F220-R270 HydrophobicContact CE2-CB 4.38Å; F220-R270 HydrophobicContact CE2-CG 4.29Å; F220-R270 HydrophobicContact CG-CB 3.78Å; F220-R270 HydrophobicContact CZ-CB 4.24Å; F220-R270 HydrophobicContact CZ-CG 4.17Å; V221-R270 PolarHBondContact N-O 3.46Å; V268-R270 PolarHBondContact O-N 2.75Å; R270-M298 HydrophobicContact CG-CG 4.33Å
271	Y	98.8	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	140.9	177.6	152.1	-88.9	0	0	0	110.5	F220 V223 T225 P256 K260 L263 Q273 D295 E297	F220-Y271 WeakPolarHBondContact CD1-O 3.41Å; V223-Y271 HydrophobicContact CB-CD2 3.9Å; V223-Y271 HydrophobicContact CB-CE2 4.15Å; V223-Y271 HydrophobicContact CG2-CD2 4.19Å; T225-Y271 HydrophobicContact CG2-CE2 4.27Å; P256-Y271 WeakPolarHBondContact CB-OH 3.31Å; K260-Y271 HydrophobicContact CB-CD1 3.58Å; K260-Y271 HydrophobicContact CB-CE1 3.35Å; K260-Y271 HydrophobicContact CB-CG 4.35Å; K260-Y271 HydrophobicContact CD-CE1 3.96Å; K260-Y271 HydrophobicContact CG-CE1 4.34Å; L263-Y271 HydrophobicContact CD1-CD2 3.36Å; L263-Y271 HydrophobicContact CD1-CE2 3.75Å; L263-Y271 HydrophobicContact CD1-CG 4.02Å; Y271-Q273 HydrophobicContact CE2-CB 3.86Å; Y271-Q273 VanDerWaalsContact OH-CB 3.28Å; Y271-Q273 WeakPolarHBondContact OH-CB 3.2Å; Y271-Q273 PolarHBondContact OH-NE2 2.68Å; Y271-D295 WeakPolarHBondContact CE1-OD2 3.43Å; Y271-D295 PolarHBondContact OH-OD2 3.43Å; Y271-E297 HydrophobicContact CD1-CB 3.71Å; Y271-E297 HydrophobicContact CE1-CB 4.48Å; Y271-E297 PolarHBondContact N-O 2.94Å; Y271-E297 PolarHBondContact O-N 2.76Å
272	F	98.7	Very high	95.9	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.6	154.8	85.1	-65.7	0	0	0	111.7	R211 L214 C215 F220 V221 D222 V223 V274 D295 I296	R211-F272 HydrophobicContact CB-CZ 4.44Å; R211-F272 HydrophobicContact CG-CE2 3.84Å; R211-F272 HydrophobicContact CG-CZ 3.99Å; L214-F272 HydrophobicContact CB-CD1 4.21Å; L214-F272 HydrophobicContact CB-CD2 4.45Å; L214-F272 HydrophobicContact CB-CE1 4.19Å; L214-F272 HydrophobicContact CB-CE2 4.45Å; L214-F272 HydrophobicContact CB-CG 4.32Å; L214-F272 HydrophobicContact CB-CZ 4.32Å; L214-F272 HydrophobicContact CD1-CB 4.05Å; L214-F272 HydrophobicContact CD1-CD1 4.43Å; L214-F272 HydrophobicContact CD1-CD2 3.42Å; L214-F272 VanDerWaalsContact CD1-CD2 3.42Å; L214-F272 HydrophobicContact CD1-CE2 3.92Å; L214-F272 HydrophobicContact CD1-CG 3.71Å; C215-F272 WeakPolarHBondContact SG-CE1 3.49Å; F220-F272 HydrophobicContact CB-CD1 3.74Å; F220-F272 HydrophobicContact CB-CE1 4.23Å; F220-F272 HydrophobicContact CD1-CB 4.25Å; V221-F272 WeakPolarHBondContact O-CD1 3.31Å; V221-F272 PolarHBondContact O-N 3.19Å; D222-F272 WeakPolarHBondContact CA-O 3.27Å; D222-F272 HydrophobicContact CB-CD1 4.27Å; D222-F272 HydrophobicContact CB-CE1 3.56Å; D222-F272 HydrophobicContact CB-CZ 3.76Å; V223-F272 PolarHBondContact N-O 2.96Å; V223-F272 VanDerWaalsContact N-O 3.09Å; F272-V274 HydrophobicContact CE2-CG2 4.46Å; F272-D295 CarbonylContact C-O 3.55Å; F272-D295 WeakPolarHBondContact CA-O 3.07Å; F272-D295 WeakPolarHBondContact CB-O 3.47Å; F272-I296 HydrophobicContact CB-CG1 4.14Å
273	Q	98.7	Very high	95	Very high	19 Å²	19	41 Å²	41	9%	0.089	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	142	172.2	-166.5	-174.8	175.2	0	0	110.3	V223 T225 Y271 A275 D295	V223-Q273 VanDerWaalsContact O-CD 3.23Å; V223-Q273 VanDerWaalsContact O-CG 3.31Å; V223-Q273 WeakPolarHBondContact O-CG 3.32Å; V223-Q273 PolarHBondContact O-NE2 2.94Å; T225-Q273 VanDerWaalsContact N-OE1 3.11Å; T225-Q273 PolarHBondContact OG1-NE2 3.44Å; T225-Q273 PolarHBondContact OG1-OE1 3.02Å; Y271-Q273 HydrophobicContact CE2-CB 3.86Å; Y271-Q273 VanDerWaalsContact OH-CB 3.28Å; Y271-Q273 WeakPolarHBondContact OH-CB 3.2Å; Y271-Q273 PolarHBondContact OH-NE2 2.68Å; Q273-A275 HydrophobicContact CB-CB 4.34Å; Q273-A275 HydrophobicContact CG-CB 4.05Å; Q273-A275 PolarHBondContact O-N 2.78Å; Q273-A275 VanDerWaalsContact O-N 3.13Å; Q273-D295 PolarHBondContact N-O 2.92Å; Q273-D295 PolarHBondContact O-N 2.92Å
274	V	98.5	Very high	94.3	Very high	37 Å²	37	44.2 Å²	44.2	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	67.9	166.1	-171.9	0	0	0	0	109	V207 F272 T292 Q293 L598	V207-V274 HydrophobicContact CG1-CG1 4.36Å; V207-V274 HydrophobicContact CG1-CG2 4.18Å; F272-V274 HydrophobicContact CE2-CG2 4.46Å; V274-T292 HydrophobicContact CG1-CG2 3.75Å; V274-Q293 CarbonylContact C-O 3.56Å; V274-Q293 WeakPolarHBondContact CA-O 3.43Å; V274-L598 HydrophobicContact CG1-CD2 4.27Å
275	A	97.8	Very high	93.5	Very high	3 Å²	3	47.5 Å²	47.5	3%	0.025	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	150.9	-167.3	0	0	0	0	0	113.8	P256 Q273 T292 Q293	P256-A275 HydrophobicContact CG-CB 3.59Å; Q273-A275 HydrophobicContact CB-CB 4.34Å; Q273-A275 HydrophobicContact CG-CB 4.05Å; Q273-A275 PolarHBondContact O-N 2.78Å; Q273-A275 VanDerWaalsContact O-N 3.13Å; A275-T292 WeakPolarHBondContact O-CA 3.24Å; A275-T292 WeakPolarHBondContact O-CG2 3.45Å; A275-Q293 PolarHBondContact N-O 3.05Å; A275-Q293 PolarHBondContact O-N 2.97Å
276	R	97.8	Very high	92.9	Very high	111 Å²	111	48.6 Å²	48.6	42%	0.419	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.3	165.1	-179.2	61.3	52	89.4	9.2	109	Y278 E290 F291	R276-Y278 HydrophobicContact CB-CE2 4.37Å; R276-Y278 HydrophobicContact CG-CE1 3.91Å; R276-Y278 HydrophobicContact CG-CE2 3.84Å; R276-Y278 VanDerWaalsContact CG-CZ 3.44Å; R276-Y278 WeakPolarHBondContact CG-OH 3.29Å; R276-E290 IonicContact CZ-OE2 3.59Å; R276-E290 IonicContact NH1-OE2 3.63Å; R276-E290 PolarHBondContact NH1-OE2 2.75Å; R276-F291 WeakPolarHBondContact CD-O 3.13Å
277	C	96.4	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.2	-174.2	-55.4	0	0	0	0	110	E290 F291 Q293	C277-E290 WeakPolarHBondContact O-CA 3.31Å; C277-F291 HydrophobicContact CB-CD1 4.49Å; C277-F291 HydrophobicContact CB-CD2 4.11Å; C277-F291 HydrophobicContact CB-CE1 3.99Å; C277-F291 HydrophobicContact CB-CE2 3.59Å; C277-F291 HydrophobicContact CB-CZ 3.5Å; C277-F291 PolarHBondContact N-O 3.17Å; C277-F291 WeakPolarHBondContact O-CD1 3.47Å; C277-F291 PolarHBondContact O-N 3.06Å; C277-Q293 PolarHBondContact SG-OE1 2.81Å
278	Y	95.6	Very high	92.3	Very high	44 Å²	44	45.8 Å²	45.8	17%	0.173	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.8	-166.2	-56.2	-90.7	0	0	0	111.8	T227 L252 P253 Q254 R276 P289 E290	T227-Y278 HydrophobicContact CG2-CE2 4.26Å; L252-Y278 HydrophobicContact CB-CD1 4.41Å; L252-Y278 HydrophobicContact CB-CD2 3.75Å; L252-Y278 HydrophobicContact CB-CE2 4.4Å; L252-Y278 HydrophobicContact CB-CG 3.73Å; L252-Y278 HydrophobicContact CD1-CD1 3.74Å; L252-Y278 HydrophobicContact CD1-CD2 4.39Å; L252-Y278 HydrophobicContact CD1-CE1 3.98Å; L252-Y278 HydrophobicContact CD1-CG 3.94Å; L252-Y278 HydrophobicContact CG-CG 4.46Å; P253-Y278 HydrophobicContact CG-CD2 4.45Å; P253-Y278 PolarHBondContact O-N 3.32Å; Q254-Y278 WeakPolarHBondContact CA-O 3.44Å; R276-Y278 HydrophobicContact CB-CE2 4.37Å; R276-Y278 HydrophobicContact CG-CE1 3.91Å; R276-Y278 HydrophobicContact CG-CE2 3.84Å; R276-Y278 VanDerWaalsContact CG-CZ 3.44Å; R276-Y278 WeakPolarHBondContact CG-OH 3.29Å; Y278-P289 WeakPolarHBondContact CA-O 3.44Å; Y278-E290 HydrophobicContact CD1-CB 3.96Å; Y278-E290 HydrophobicContact CE1-CB 4.12Å
279	R	93.2	Very high	92	Very high	80 Å²	80	44.4 Å²	44.4	30%	0.302	22%	0.222	S	C	.	.			trans	-142.7	123.7	177.2	-67.3	179.5	-169	-177.9	4.7	110.3	A236 F239 E281 P289 F291	A236-R279 HydrophobicContact CB-CB 4.18Å; A236-R279 HydrophobicContact CB-CG 3.9Å; F239-R279 VanDerWaalsContact CE2-C 3.45Å; F239-R279 WeakPolarHBondContact CE2-O 3.11Å; R279-E281 HydrophobicContact CB-CG 4.12Å; R279-E281 PolarHBondContact O-N 3.13Å; R279-P289 PolarHBondContact N-O 2.84Å; R279-P289 WeakPolarHBondContact O-CA 3.25Å; R279-F291 HydrophobicContact CB-CE1 4.4Å; R279-F291 HydrophobicContact CG-CE1 3.9Å; R279-F291 HydrophobicContact CG-CZ 4.32Å
280	D	91.1	Very high	91.8	Very high	55 Å²	55	44.4 Å²	44.4	29%	0.294	22%	0.22	S	C	.	.			trans	-80	66	177.7	-175.6	32.7	0	0	0	110.4	K237 F239	K237-D280 HydrophobicContact CB-CB 4.18Å; K237-D280 HydrophobicContact CD-CB 4.49Å; K237-D280 WeakPolarHBondContact CD-OD2 3.39Å; K237-D280 WeakPolarHBondContact CE-OD2 3.1Å; K237-D280 HydrophobicContact CG-CB 4.16Å; K237-D280 IonicContact NZ-OD2 2.72Å; K237-D280 PolarHBondContact NZ-OD2 3.16Å; K237-D280 PolarHBondContact O-N 2.77Å; F239-D280 HydrophobicContact CD1-CB 4.14Å; F239-D280 HydrophobicContact CD2-CB 4.14Å; F239-D280 HydrophobicContact CE1-CB 3.99Å; F239-D280 WeakPolarHBondContact CE1-OD1 3.06Å; F239-D280 HydrophobicContact CE2-CB 4.03Å; F239-D280 HydrophobicContact CG-CB 4.2Å; F239-D280 HydrophobicContact CZ-CB 3.94Å
281	E	84.3	Confident	91.7	Very high	64 Å²	64	42.2 Å²	42.2	30%	0.299	21%	0.212	S	C	.	.	S	Bend	trans	-125.3	160.7	-176.9	-65.3	-175.6	122.5	0	0	111.6	A236 R279 S283 R287	A236-E281 HydrophobicContact CB-CG 4.08Å; R279-E281 HydrophobicContact CB-CG 4.12Å; R279-E281 PolarHBondContact O-N 3.13Å; E281-S283 PolarHBondContact O-N 2.8Å; E281-R287 IonicContact OE1-NH1 3.6Å; E281-R287 PolarHBondContact OE1-NH1 2.83Å; E281-R287 WeakPolarHBondContact OE2-CD 3.28Å; E281-R287 IonicContact OE2-CZ 2.84Å; E281-R287 IonicContact OE2-NE 3.47Å; E281-R287 IonicContact OE2-NH1 3.62Å; E281-R287 PolarHBondContact OE2-NH1 3.11Å
282	G	76.4	Confident	91.7	Very high	57 Å²	57	42.8 Å²	42.8	59%	0.588	22%	0.216	S	C	*	.			trans	-59.9	126.7	173.9	0	0	0	0	0	113
283	S	79.4	Confident	91.7	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.021	22%	0.22	C	C	.	.			trans	-66.9	131	176.1	166.1	0	0	0	0	111.1	E281 R287 Q288 R612 S620 F621	E281-S283 PolarHBondContact O-N 2.8Å; S283-R287 PolarHBondContact OG-O 3.22Å; S283-Q288 PolarHBondContact OG-NE2 3.4Å; S283-Q288 VanDerWaalsContact OG-NE2 3.14Å; S283-R612 PolarHBondContact OG-NH2 2.96Å; S283-S620 VanDerWaalsContact CB-O 3.24Å; S283-S620 WeakPolarHBondContact CB-O 3.3Å; S283-S620 PolarHBondContact OG-O 3.13Å; S283-F621 WeakPolarHBondContact CB-O 3.46Å; S283-F621 WeakPolarHBondContact O-CD2 3.47Å; S283-F621 VanDerWaalsContact O-CE2 3.24Å; S283-F621 WeakPolarHBondContact O-CE2 3.44Å
284	K	83.8	Confident	91.7	Very high	103 Å²	103	42.9 Å²	42.9	45%	0.448	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-123.5	170.9	179.7	-64.9	-175.8	179.9	-179.8	0	109.2	D286 R287 R612	K284-D286 VanDerWaalsContact CB-OD1 3.27Å; K284-D286 WeakPolarHBondContact CB-OD1 3.31Å; K284-D286 PolarHBondContact O-N 2.89Å; K284-D286 VanDerWaalsContact O-N 3.13Å; K284-R287 HydrophobicContact CB-CB 3.86Å; K284-R287 HydrophobicContact CG-CB 4.41Å; K284-R287 PolarHBondContact N-O 3.31Å; K284-R287 PolarHBondContact O-N 2.97Å; K284-R287 VanDerWaalsContact O-N 3.12Å; K284-R612 PolarHBondContact O-NH2 3.36Å; K284-R612 VanDerWaalsContact O-NH2 3.16Å
285	P	82.9	Confident	91.7	Very high	72 Å²	72	41.2 Å²	41.2	47%	0.468	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.4	174.5	-26.7	36.7	0	0	0	113.4	S610 I611	P285-S610 CarbonylContact O-C 3.46Å; P285-S610 WeakPolarHBondContact O-CA 3.31Å; P285-S610 WeakPolarHBondContact O-CB 3.47Å; P285-S610 PolarHBondContact O-OG 2.76Å; P285-I611 PolarHBondContact O-N 3.49Å
286	D	85	Confident	91.8	Very high	61 Å²	61	41 Å²	41	33%	0.326	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	0.4	178.4	75.7	-55.5	0	0	0	114.5	K284 R600 I611	K284-D286 VanDerWaalsContact CB-OD1 3.27Å; K284-D286 WeakPolarHBondContact CB-OD1 3.31Å; K284-D286 PolarHBondContact O-N 2.89Å; K284-D286 VanDerWaalsContact O-N 3.13Å; D286-R600 IonicContact OD2-CZ 2.72Å; D286-R600 IonicContact OD2-NE 2.73Å; D286-R600 IonicContact OD2-NH2 2.8Å; D286-R600 PolarHBondContact OD2-NH2 2.99Å; D286-I611 WeakPolarHBondContact O-CD1 3.37Å
287	R	90	Very high	91.8	Very high	74 Å²	74	35.8 Å²	35.8	28%	0.279	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-133.9	135.2	-171.5	-164.8	179.9	-65.6	-158.9	2.4	112.3	E281 S283 K284	E281-R287 IonicContact OE1-NH1 3.6Å; E281-R287 PolarHBondContact OE1-NH1 2.83Å; E281-R287 WeakPolarHBondContact OE2-CD 3.28Å; E281-R287 IonicContact OE2-CZ 2.84Å; E281-R287 IonicContact OE2-NE 3.47Å; E281-R287 IonicContact OE2-NH1 3.62Å; E281-R287 PolarHBondContact OE2-NH1 3.11Å; S283-R287 PolarHBondContact OG-O 3.22Å; K284-R287 HydrophobicContact CB-CB 3.86Å; K284-R287 HydrophobicContact CG-CB 4.41Å; K284-R287 PolarHBondContact N-O 3.31Å; K284-R287 PolarHBondContact O-N 2.97Å; K284-R287 VanDerWaalsContact O-N 3.12Å
288	Q	93.2	Very high	91.9	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	19%	0.188	C	C	.	.			trans	-129.5	150.7	176.6	-70.5	-76.7	-88.1	0	0	109.3	S283 E290 I611 I615 K619	S283-Q288 PolarHBondContact OG-NE2 3.4Å; S283-Q288 VanDerWaalsContact OG-NE2 3.14Å; Q288-E290 WeakPolarHBondContact CB-O 3.33Å; Q288-E290 PolarHBondContact O-N 2.84Å; Q288-I611 HydrophobicContact CB-CD1 4.29Å; Q288-I611 HydrophobicContact CG-CD1 3.67Å; Q288-I611 HydrophobicContact CG-CG1 4.11Å; Q288-I615 HydrophobicContact CG-CD1 3.89Å; Q288-K619 PolarHBondContact NE2-O 2.98Å; Q288-K619 PolarHBondContact OE1-O 3.46Å
289	P	93.4	Very high	92.1	Very high	16 Å²	16	34.5 Å²	34.5	10%	0.104	18%	0.181	C	C	.	.	S	Bend	trans	-66.4	-22.3	178.5	28	-35.4	0	0	0	112.5	F239 Y278 R279 K619	F239-P289 HydrophobicContact CE2-CB 3.82Å; F239-P289 HydrophobicContact CZ-CB 3.75Å; Y278-P289 WeakPolarHBondContact CA-O 3.44Å; R279-P289 PolarHBondContact N-O 2.84Å; R279-P289 WeakPolarHBondContact O-CA 3.25Å; P289-K619 HydrophobicContact CG-CB 4.09Å; P289-K619 HydrophobicContact CG-CG 3.97Å
290	E	95.1	Very high	92.3	Very high	53 Å²	53	38.1 Å²	38.1	25%	0.248	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.4	168.4	71.4	177.7	129.8	0	0	108.8	R276 C277 Y278 Q288 K619	R276-E290 IonicContact CZ-OE2 3.59Å; R276-E290 IonicContact NH1-OE2 3.63Å; R276-E290 PolarHBondContact NH1-OE2 2.75Å; C277-E290 WeakPolarHBondContact O-CA 3.31Å; Y278-E290 HydrophobicContact CD1-CB 3.96Å; Y278-E290 HydrophobicContact CE1-CB 4.12Å; Q288-E290 WeakPolarHBondContact CB-O 3.33Å; Q288-E290 PolarHBondContact O-N 2.84Å; E290-K619 IonicContact OE1-NZ 3.98Å; E290-K619 PolarHBondContact OE1-NZ 3.42Å
291	F	96.6	Very high	92.7	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.132	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	164.4	-176.8	61	-82.4	0	0	0	111.1	R276 C277 R279 Q293 D599	R276-F291 WeakPolarHBondContact CD-O 3.13Å; C277-F291 HydrophobicContact CB-CD1 4.49Å; C277-F291 HydrophobicContact CB-CD2 4.11Å; C277-F291 HydrophobicContact CB-CE1 3.99Å; C277-F291 HydrophobicContact CB-CE2 3.59Å; C277-F291 HydrophobicContact CB-CZ 3.5Å; C277-F291 PolarHBondContact N-O 3.17Å; C277-F291 WeakPolarHBondContact O-CD1 3.47Å; C277-F291 PolarHBondContact O-N 3.06Å; R279-F291 HydrophobicContact CB-CE1 4.4Å; R279-F291 HydrophobicContact CG-CE1 3.9Å; R279-F291 HydrophobicContact CG-CZ 4.32Å; F291-Q293 HydrophobicContact CD2-CG 4.07Å; F291-Q293 HydrophobicContact CE2-CG 3.77Å; F291-D599 WeakPolarHBondContact CA-OD2 3.38Å
292	T	98.5	Very high	93.3	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.6	-174.3	-41.3	0	0	0	0	110.6	R203 V274 A275 L598 D599	R203-T292 PolarHBondContact NH2-OG1 2.79Å; R203-T292 VanDerWaalsContact NH2-OG1 3.08Å; V274-T292 HydrophobicContact CG1-CG2 3.75Å; A275-T292 WeakPolarHBondContact O-CA 3.24Å; A275-T292 WeakPolarHBondContact O-CG2 3.45Å; T292-L598 HydrophobicContact CG2-CD2 3.84Å; T292-L598 PolarHBondContact O-N 3.07Å; T292-D599 PolarHBondContact N-OD2 2.92Å
293	Q	98.1	Very high	94.3	Very high	21 Å²	21	36.7 Å²	36.7	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150	169.9	-63.7	-170.3	-63.8	0	0	110.7	V274 A275 C277 F291 A595 L596	V274-Q293 CarbonylContact C-O 3.56Å; V274-Q293 WeakPolarHBondContact CA-O 3.43Å; A275-Q293 PolarHBondContact N-O 3.05Å; A275-Q293 PolarHBondContact O-N 2.97Å; C277-Q293 PolarHBondContact SG-OE1 2.81Å; F291-Q293 HydrophobicContact CD2-CG 4.07Å; F291-Q293 HydrophobicContact CE2-CG 3.77Å; Q293-A595 HydrophobicContact CB-CB 4.39Å; Q293-L596 CarbonylContact C-O 3.39Å; Q293-L596 VanDerWaalsContact CA-O 3.22Å; Q293-L596 WeakPolarHBondContact CA-O 3.5Å
294	V	98.6	Very high	95.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	97.9	154.9	-174.7	0	0	0	0	105.5	M210 L214 I296 A595 L596 L598	M210-V294 HydrophobicContact SD-CG2 3.99Å; L214-V294 HydrophobicContact CD1-CG1 4.37Å; V294-I296 HydrophobicContact CG1-CD1 4.27Å; V294-I296 HydrophobicContact CG1-CG1 4.24Å; V294-A595 WeakPolarHBondContact O-CA 3.36Å; V294-L596 HydrophobicContact CB-CB 4.3Å; V294-L596 PolarHBondContact N-O 3.28Å; V294-L596 PolarHBondContact O-N 2.87Å; V294-L598 HydrophobicContact CG2-CB 4.39Å; V294-L598 HydrophobicContact CG2-CD1 4.4Å
295	D	98.6	Very high	95.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130	-175.5	180	48.8	0	0	0	109.1	P256 K260 Y271 F272 Q273	P256-D295 WeakPolarHBondContact CB-OD2 3.41Å; P256-D295 HydrophobicContact CG-CB 4.39Å; P256-D295 VanDerWaalsContact CG-OD2 3.31Å; P256-D295 WeakPolarHBondContact CG-OD2 3.25Å; K260-D295 VanDerWaalsContact CD-OD1 3.28Å; K260-D295 WeakPolarHBondContact CD-OD1 3.49Å; K260-D295 VanDerWaalsContact CD-OD2 3.28Å; K260-D295 WeakPolarHBondContact CD-OD2 3.38Å; K260-D295 VanDerWaalsContact CE-OD1 3.32Å; K260-D295 WeakPolarHBondContact CE-OD1 3.48Å; K260-D295 IonicContact NZ-OD1 3.66Å; K260-D295 PolarHBondContact NZ-OD1 3.33Å; Y271-D295 WeakPolarHBondContact CE1-OD2 3.43Å; Y271-D295 PolarHBondContact OH-OD2 3.43Å; F272-D295 CarbonylContact C-O 3.55Å; F272-D295 WeakPolarHBondContact CA-O 3.07Å; F272-D295 WeakPolarHBondContact CB-O 3.47Å; Q273-D295 PolarHBondContact N-O 2.92Å; Q273-D295 PolarHBondContact O-N 2.92Å
296	I	98.8	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139.4	-169.3	-55.3	175	0	0	0	108.6	L214 F220 K260 F272 V294 L309 L313 G593 I594	L214-I296 HydrophobicContact CD1-CD1 4.13Å; L214-I296 HydrophobicContact CD1-CG1 4.42Å; L214-I296 HydrophobicContact CD2-CD1 4.31Å; F220-I296 HydrophobicContact CD1-CG2 4.41Å; F220-I296 HydrophobicContact CE1-CG2 3.58Å; F220-I296 HydrophobicContact CZ-CG2 4.07Å; K260-I296 PolarHBondContact NZ-O 3.02Å; F272-I296 HydrophobicContact CB-CG1 4.14Å; V294-I296 HydrophobicContact CG1-CD1 4.27Å; V294-I296 HydrophobicContact CG1-CG1 4.24Å; I296-L309 HydrophobicContact CG2-CD2 4Å; I296-L313 HydrophobicContact CD1-CD2 3.77Å; I296-G593 CarbonylContact O-C 3.49Å; I296-G593 WeakPolarHBondContact O-CA 3.46Å; I296-I594 HydrophobicContact CB-CG2 4.11Å; I296-I594 HydrophobicContact CD1-CG2 4.25Å; I296-I594 PolarHBondContact N-O 3.06Å; I296-I594 PolarHBondContact O-N 3.42Å
297	E	98.9	Very high	97.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	141.6	172.8	-152.8	75.9	-178.8	0	0	110.8	K260 M264 Y271 R555 H591 G592 G593	K260-E297 HydrophobicContact CB-CB 3.99Å; K260-E297 HydrophobicContact CB-CG 4.33Å; K260-E297 HydrophobicContact CD-CB 4.19Å; K260-E297 HydrophobicContact CD-CG 4.46Å; K260-E297 WeakPolarHBondContact CD-OE2 3.27Å; K260-E297 WeakPolarHBondContact CE-OE2 3.31Å; K260-E297 HydrophobicContact CG-CB 4.13Å; K260-E297 HydrophobicContact CG-CG 4.11Å; K260-E297 IonicContact NZ-OE2 2.64Å; K260-E297 PolarHBondContact NZ-OE2 2.8Å; M264-E297 HydrophobicContact CE-CB 4.34Å; M264-E297 HydrophobicContact CG-CB 4.4Å; M264-E297 HydrophobicContact CG-CG 3.71Å; M264-E297 HydrophobicContact SD-CB 4.14Å; M264-E297 HydrophobicContact SD-CG 3.96Å; Y271-E297 HydrophobicContact CD1-CB 3.71Å; Y271-E297 HydrophobicContact CE1-CB 4.48Å; Y271-E297 PolarHBondContact N-O 2.94Å; Y271-E297 PolarHBondContact O-N 2.76Å; E297-R555 VanDerWaalsContact OE1-CG 3.3Å; E297-R555 WeakPolarHBondContact OE1-CG 3.28Å; E297-R555 IonicContact OE1-CZ 2.71Å; E297-R555 IonicContact OE1-NE 2.7Å; E297-R555 PolarHBondContact OE1-NE 2.61Å; E297-R555 IonicContact OE1-NH2 2.71Å; E297-R555 PolarHBondContact OE1-NH2 2.67Å; E297-R555 IonicContact OE2-CZ 2.69Å; E297-R555 IonicContact OE2-NE 3.59Å; E297-R555 IonicContact OE2-NH2 3.36Å; E297-R555 PolarHBondContact OE2-NH2 2.95Å; E297-H591 IonicContact OE1-CD2 2.69Å; E297-G592 WeakPolarHBondContact CA-O 3.46Å; E297-G593 WeakPolarHBondContact OE2-CA 3.29Å
298	M	98.8	Very high	97.7	Very high	14 Å²	14	30 Å²	30	7%	0.069	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143.5	177.8	-66.8	178.3	59.2	0	0	112	F220 D269 R270 V301 I306 L309 H591 G592	F220-M298 HydrophobicContact CE1-CG 3.75Å; F220-M298 HydrophobicContact CE1-SD 4.48Å; F220-M298 HydrophobicContact CE2-SD 4.49Å; F220-M298 HydrophobicContact CZ-CG 3.52Å; F220-M298 HydrophobicContact CZ-SD 3.66Å; D269-M298 CarbonylContact O-C 3.53Å; D269-M298 VanDerWaalsContact O-CA 3.29Å; D269-M298 WeakPolarHBondContact O-CA 3.39Å; R270-M298 HydrophobicContact CG-CG 4.33Å; M298-V301 HydrophobicContact CB-CB 3.97Å; M298-V301 HydrophobicContact CB-CG1 3.96Å; M298-V301 HydrophobicContact CB-CG2 4.28Å; M298-V301 HydrophobicContact CE-CB 4.34Å; M298-V301 HydrophobicContact CE-CG2 3.82Å; M298-V301 WeakPolarHBondContact O-CG1 3.36Å; M298-V301 HydrophobicContact SD-CG2 4.09Å; M298-I306 HydrophobicContact CB-CD1 4.1Å; M298-I306 HydrophobicContact CG-CD1 4.05Å; M298-I306 HydrophobicContact SD-CD1 3.77Å; M298-L309 HydrophobicContact SD-CD2 3.87Å; M298-H591 CarbonylContact O-C 3.59Å; M298-H591 WeakPolarHBondContact O-CA 3.16Å; M298-H591 VanDerWaalsContact O-CB 3.24Å; M298-H591 WeakPolarHBondContact O-CB 3.46Å; M298-G592 PolarHBondContact N-O 2.96Å; M298-G592 PolarHBondContact O-N 3.36Å
299	S	98.8	Very high	98	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	158.3	167.2	-60	0	0	0	0	111.3	M264 D269 V301 P590	M264-S299 WeakPolarHBondContact CB-OG 3.34Å; M264-S299 PolarHBondContact SD-N 3.45Å; M264-S299 VanDerWaalsContact SD-N 3.36Å; M264-S299 PolarHBondContact SD-OG 3.49Å; D269-S299 PolarHBondContact O-N 3.44Å; S299-V301 PolarHBondContact O-N 2.91Å; S299-V301 VanDerWaalsContact O-N 3.12Å; S299-P590 CarbonylContact C-O 3.12Å
300	F	98.6	Very high	98.2	Very high	156 Å²	156	29.6 Å²	29.6	68%	0.684	17%	0.168	S	C	*	.	S	Bend	trans	52.6	34.2	175.9	-49.4	-72.4	0	0	0	114.1	P589 P590	F300-P589 HydrophobicContact CD1-CB 4.31Å; F300-P589 HydrophobicContact CE1-CB 3.67Å; F300-P589 HydrophobicContact CE2-CB 4.09Å; F300-P589 HydrophobicContact CZ-CB 3.55Å; F300-P590 PolarHBondContact N-O 2.86Å
301	V	98.3	Very high	98.4	Very high	20 Å²	20	27.8 Å²	27.8	12%	0.121	16%	0.159	C	C	.	.			trans	-112.8	151.9	-174.9	81.9	0	0	0	0	111.1	M298 S299 I306 I554	M298-V301 HydrophobicContact CB-CB 3.97Å; M298-V301 HydrophobicContact CB-CG1 3.96Å; M298-V301 HydrophobicContact CB-CG2 4.28Å; M298-V301 HydrophobicContact CE-CB 4.34Å; M298-V301 HydrophobicContact CE-CG2 3.82Å; M298-V301 WeakPolarHBondContact O-CG1 3.36Å; M298-V301 HydrophobicContact SD-CG2 4.09Å; S299-V301 PolarHBondContact O-N 2.91Å; S299-V301 VanDerWaalsContact O-N 3.12Å; V301-I306 HydrophobicContact CG1-CD1 3.97Å; V301-I306 HydrophobicContact CG1-CG1 3.94Å; V301-I306 HydrophobicContact CG2-CD1 3.95Å; V301-I306 HydrophobicContact CG2-CG1 3.97Å; V301-I554 HydrophobicContact CG1-CD1 4.26Å
302	D	97.8	Very high	98.5	Very high	95 Å²	95	27.1 Å²	27.1	51%	0.508	16%	0.16	S	C	.	.			trans	-107.8	-179.6	166.4	68.3	5.3	0	0	0	111.2	A304 G305 I306	D302-A304 VanDerWaalsContact C-N 3.33Å; D302-A304 PolarHBondContact O-N 2.84Å; D302-A304 PolarHBondContact OD1-N 3.4Å; D302-G305 PolarHBondContact O-N 3.44Å; D302-G305 PolarHBondContact OD1-N 2.91Å; D302-I306 PolarHBondContact O-N 3.45Å
303	Q	97.5	Very high	98.5	Very high	31 Å²	31	26.5 Å²	26.5	15%	0.145	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-41.4	178.5	176.3	168.6	-10.6	0	0	112	G305 I306 L307 V495 Y540 I554	Q303-G305 PolarHBondContact O-N 2.87Å; Q303-I306 PolarHBondContact O-N 3.2Å; Q303-L307 HydrophobicContact CG-CD1 3.96Å; Q303-L307 WeakPolarHBondContact O-CD1 3.32Å; Q303-L307 PolarHBondContact O-N 3.09Å; Q303-V495 VanDerWaalsContact NE2-CG1 3.3Å; Q303-Y540 HydrophobicContact CB-CD1 4.44Å; Q303-Y540 HydrophobicContact CB-CE1 4.25Å; Q303-Y540 HydrophobicContact CG-CD1 3.58Å; Q303-Y540 HydrophobicContact CG-CE1 3.84Å; Q303-Y540 HydrophobicContact CG-CG 4.37Å; Q303-I554 HydrophobicContact CB-CG1 4.37Å
304	A	97.9	Very high	98.5	Very high	56 Å²	56	25.6 Å²	25.6	46%	0.463	15%	0.152	S	C	.	.	H	α-helix	trans	-62.2	-42	-179.2	0	0	0	0	0	112	D302 I306 L307 S308	D302-A304 VanDerWaalsContact C-N 3.33Å; D302-A304 PolarHBondContact O-N 2.84Å; D302-A304 PolarHBondContact OD1-N 3.4Å; A304-I306 PolarHBondContact O-N 3.04Å; A304-L307 PolarHBondContact O-N 3.15Å; A304-S308 PolarHBondContact O-N 3.45Å; A304-S308 PolarHBondContact O-OG 2.8Å
305	G	98.5	Very high	98.5	Very high	28 Å²	28	30 Å²	30	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-40.1	176.8	0	0	0	0	0	113.7	D302 Q303 L309	D302-G305 PolarHBondContact O-N 3.44Å; D302-G305 PolarHBondContact OD1-N 2.91Å; Q303-G305 PolarHBondContact O-N 2.87Å; G305-L309 WeakPolarHBondContact O-CB 3.46Å; G305-L309 PolarHBondContact O-N 2.95Å; G305-L309 VanDerWaalsContact O-N 3.11Å
306	I	98.6	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-43.8	175.4	-63.4	-62.8	0	0	0	111.4	M298 V301 D302 Q303 A304 L309 V310 Y540 I594	M298-I306 HydrophobicContact CB-CD1 4.1Å; M298-I306 HydrophobicContact CG-CD1 4.05Å; M298-I306 HydrophobicContact SD-CD1 3.77Å; V301-I306 HydrophobicContact CG1-CD1 3.97Å; V301-I306 HydrophobicContact CG1-CG1 3.94Å; V301-I306 HydrophobicContact CG2-CD1 3.95Å; V301-I306 HydrophobicContact CG2-CG1 3.97Å; D302-I306 PolarHBondContact O-N 3.45Å; Q303-I306 PolarHBondContact O-N 3.2Å; A304-I306 PolarHBondContact O-N 3.04Å; I306-L309 PolarHBondContact O-N 3.29Å; I306-V310 WeakPolarHBondContact O-CG2 3.48Å; I306-V310 PolarHBondContact O-N 2.86Å; I306-V310 VanDerWaalsContact O-N 3.12Å; I306-Y540 HydrophobicContact CB-CE2 4.28Å; I306-Y540 HydrophobicContact CG2-CE2 3.57Å; I306-Y540 WeakPolarHBondContact CG2-OH 3.42Å; I306-I594 HydrophobicContact CG2-CB 4.17Å; I306-I594 HydrophobicContact CG2-CG2 4.13Å
307	L	98.6	Very high	98.5	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.089	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-51.4	177.6	-93.1	57.7	0	0	0	111.1	Q303 A304 L309 V310 E311 W493 Y540	Q303-L307 HydrophobicContact CG-CD1 3.96Å; Q303-L307 WeakPolarHBondContact O-CD1 3.32Å; Q303-L307 PolarHBondContact O-N 3.09Å; A304-L307 PolarHBondContact O-N 3.15Å; L307-L309 PolarHBondContact O-N 3.38Å; L307-V310 PolarHBondContact O-N 2.86Å; L307-E311 WeakPolarHBondContact O-CG 3.15Å; L307-E311 PolarHBondContact O-N 2.65Å; L307-W493 HydrophobicContact CB-CZ2 4.13Å; L307-W493 HydrophobicContact CD1-CD2 4.31Å; L307-W493 HydrophobicContact CD1-CE3 4.1Å; L307-W493 HydrophobicContact CD1-CH2 4.28Å; L307-W493 HydrophobicContact CD1-CZ3 4.07Å; L307-W493 HydrophobicContact CD2-CB 4.36Å; L307-W493 HydrophobicContact CD2-CD2 4.06Å; L307-W493 HydrophobicContact CD2-CG 3.94Å; L307-W493 HydrophobicContact CG-CD2 3.64Å; L307-W493 HydrophobicContact CG-CE3 3.94Å; L307-W493 HydrophobicContact CG-CG 4.05Å; L307-W493 HydrophobicContact CG-CH2 4.14Å; L307-W493 HydrophobicContact CG-CZ2 3.88Å; L307-W493 HydrophobicContact CG-CZ3 4.17Å; L307-Y540 HydrophobicContact CD1-CD1 4.2Å; L307-Y540 HydrophobicContact CD1-CD2 3.64Å; L307-Y540 HydrophobicContact CD1-CE2 4.1Å; L307-Y540 HydrophobicContact CD1-CG 3.7Å
308	S	98.7	Very high	98.4	Very high	73 Å²	73	36 Å²	36	51%	0.51	20%	0.197	S	C	.	.	H	α-helix	trans	-65.2	-33.1	179.4	-63.2	0	0	0	0	113.9	A304 G312	A304-S308 PolarHBondContact O-N 3.45Å; A304-S308 PolarHBondContact O-OG 2.8Å; S308-G312 PolarHBondContact O-N 3.13Å; S308-G312 VanDerWaalsContact O-N 3.09Å
309	L	98.8	Very high	98.3	Very high	11 Å²	11	36 Å²	36	6%	0.058	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-44.4	172.5	-179.7	80.3	0	0	0	111.2	Y213 L214 H218 F220 I296 M298 G305 I306 L307 G312 L313	Y213-L309 HydrophobicContact CE1-CD1 3.89Å; Y213-L309 HydrophobicContact CE1-CG 4.41Å; Y213-L309 PolarHBondContact OH-O 2.86Å; L214-L309 HydrophobicContact CD2-CD1 4.49Å; L214-L309 HydrophobicContact CD2-CD2 4.37Å; H218-L309 HydrophobicContact CB-CD1 4.25Å; F220-L309 HydrophobicContact CE1-CD2 4.43Å; F220-L309 HydrophobicContact CE2-CD1 3.81Å; F220-L309 HydrophobicContact CE2-CD2 3.98Å; F220-L309 HydrophobicContact CZ-CD1 4.19Å; F220-L309 HydrophobicContact CZ-CD2 3.5Å; F220-L309 HydrophobicContact CZ-CG 4.5Å; I296-L309 HydrophobicContact CG2-CD2 4Å; M298-L309 HydrophobicContact SD-CD2 3.87Å; G305-L309 WeakPolarHBondContact O-CB 3.46Å; G305-L309 PolarHBondContact O-N 2.95Å; G305-L309 VanDerWaalsContact O-N 3.11Å; I306-L309 PolarHBondContact O-N 3.29Å; L307-L309 PolarHBondContact O-N 3.38Å; L309-G312 PolarHBondContact O-N 3.18Å; L309-L313 WeakPolarHBondContact O-CB 3.07Å; L309-L313 PolarHBondContact O-N 3.29Å
310	V	98.8	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71.7	-36.8	-176.7	174.4	0	0	0	0	111.5	I306 L307 L313 L314 W493 L542 I594 L596	I306-V310 WeakPolarHBondContact O-CG2 3.48Å; I306-V310 PolarHBondContact O-N 2.86Å; I306-V310 VanDerWaalsContact O-N 3.12Å; L307-V310 PolarHBondContact O-N 2.86Å; V310-L313 PolarHBondContact O-N 3.2Å; V310-L314 HydrophobicContact CG1-CD1 3.91Å; V310-L314 HydrophobicContact CG1-CG 4.49Å; V310-L314 WeakPolarHBondContact O-CB 3.2Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 3.48Å; V310-W493 HydrophobicContact CB-CH2 3.75Å; V310-W493 HydrophobicContact CB-CZ2 3.84Å; V310-W493 HydrophobicContact CG1-CH2 3.68Å; V310-W493 HydrophobicContact CG1-CZ2 3.89Å; V310-W493 HydrophobicContact CG2-CH2 4.18Å; V310-L542 HydrophobicContact CG1-CD2 3.79Å; V310-I594 HydrophobicContact CG1-CD1 4.42Å; V310-I594 HydrophobicContact CG2-CD1 3.9Å; V310-I594 HydrophobicContact CG2-CG2 3.69Å; V310-L596 HydrophobicContact CG1-CD1 4.42Å; V310-L596 HydrophobicContact CG1-CD2 4.13Å
311	E	98.8	Very high	97.6	Very high	15 Å²	15	38.7 Å²	38.7	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-49.9	171.8	-74.2	173	169	0	0	111.5	L307 L314 Q315 V327 P328 F329 W493	L307-E311 WeakPolarHBondContact O-CG 3.15Å; L307-E311 PolarHBondContact O-N 2.65Å; E311-L314 PolarHBondContact O-N 3.41Å; E311-Q315 WeakPolarHBondContact O-CB 3.24Å; E311-Q315 PolarHBondContact O-N 3.44Å; E311-V327 HydrophobicContact CB-CB 4.28Å; E311-V327 HydrophobicContact CB-CG1 3.97Å; E311-P328 WeakPolarHBondContact OE2-CA 3.05Å; E311-P328 WeakPolarHBondContact OE2-CB 3.44Å; E311-F329 HydrophobicContact CB-CE2 4.49Å; E311-F329 HydrophobicContact CG-CD2 3.6Å; E311-F329 HydrophobicContact CG-CE2 3.79Å; E311-F329 HydrophobicContact CG-CG 4.01Å; E311-F329 HydrophobicContact CG-CZ 4.35Å; E311-F329 PolarHBondContact OE1-N 3.49Å; E311-W493 HydrophobicContact CG-CZ2 4.37Å; E311-W493 PolarHBondContact OE1-NE1 3.13Å
312	G	98.8	Very high	97.3	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-38.8	176.2	0	0	0	0	0	113.3	Y213 S308 L309 L314 Q315 Y316	Y213-G312 WeakPolarHBondContact OH-CA 3.11Å; S308-G312 PolarHBondContact O-N 3.13Å; S308-G312 VanDerWaalsContact O-N 3.09Å; L309-G312 PolarHBondContact O-N 3.18Å; G312-L314 PolarHBondContact O-N 3.49Å; G312-Q315 PolarHBondContact O-N 3.36Å; G312-Y316 VanDerWaalsContact O-CB 3.24Å; G312-Y316 WeakPolarHBondContact O-CB 3.2Å; G312-Y316 PolarHBondContact O-N 2.91Å
313	L	98.8	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-47	175.4	173.2	65.4	0	0	0	111.5	M210 Y213 L214 I296 L309 V310 S317 L596	M210-L313 HydrophobicContact CB-CD1 3.81Å; M210-L313 HydrophobicContact CG-CD1 3.78Å; M210-L313 HydrophobicContact CG-CG 4.32Å; Y213-L313 HydrophobicContact CD1-CB 3.79Å; Y213-L313 HydrophobicContact CD1-CD1 3.6Å; Y213-L313 HydrophobicContact CD1-CG 4.32Å; Y213-L313 HydrophobicContact CE1-CB 3.66Å; Y213-L313 HydrophobicContact CE1-CD1 4.34Å; Y213-L313 HydrophobicContact CG-CD1 4.15Å; Y213-L313 VanDerWaalsContact CZ-N 3.32Å; L214-L313 HydrophobicContact CD1-CD1 4.17Å; L214-L313 HydrophobicContact CD2-CD1 4.34Å; L214-L313 HydrophobicContact CG-CD1 3.96Å; I296-L313 HydrophobicContact CD1-CD2 3.77Å; L309-L313 WeakPolarHBondContact O-CB 3.07Å; L309-L313 PolarHBondContact O-N 3.29Å; V310-L313 PolarHBondContact O-N 3.2Å; L313-S317 VanDerWaalsContact O-CB 3.31Å; L313-S317 WeakPolarHBondContact O-CB 3.38Å; L313-S317 PolarHBondContact O-N 3.48Å; L313-S317 PolarHBondContact O-OG 2.85Å; L313-L596 HydrophobicContact CD2-CD1 3.95Å
314	L	98.6	Very high	96.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-40.5	179.2	-72.5	168.2	0	0	0	111.4	M210 V310 E311 G312 S317 W318 L325 F329 F491 L542 L601	M210-L314 HydrophobicContact CE-CD2 4.03Å; V310-L314 HydrophobicContact CG1-CD1 3.91Å; V310-L314 HydrophobicContact CG1-CG 4.49Å; V310-L314 WeakPolarHBondContact O-CB 3.2Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 3.48Å; E311-L314 PolarHBondContact O-N 3.41Å; G312-L314 PolarHBondContact O-N 3.49Å; L314-S317 PolarHBondContact O-N 3.46Å; L314-W318 WeakPolarHBondContact O-CB 3.47Å; L314-W318 PolarHBondContact O-N 3.25Å; L314-L325 HydrophobicContact CB-CD1 4.05Å; L314-F329 HydrophobicContact CB-CZ 4.42Å; L314-F329 HydrophobicContact CD1-CE2 3.98Å; L314-F329 HydrophobicContact CD1-CZ 4.24Å; L314-F491 HydrophobicContact CD1-CD1 4.39Å; L314-F491 HydrophobicContact CD1-CE1 3.87Å; L314-L542 HydrophobicContact CD1-CD2 3.47Å; L314-L542 VanDerWaalsContact CD1-CD2 3.47Å; L314-L601 HydrophobicContact CD2-CD1 4.45Å; L314-L601 HydrophobicContact CD2-CD2 3.78Å
315	Q	98.3	Very high	96.6	Very high	94 Å²	94	39.9 Å²	39.9	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-43.6	175.6	-172.8	-179.3	68.4	0	0	112.3	E311 G312 L325 V327	E311-Q315 WeakPolarHBondContact O-CB 3.24Å; E311-Q315 PolarHBondContact O-N 3.44Å; G312-Q315 PolarHBondContact O-N 3.36Å; Q315-L325 PolarHBondContact NE2-O 3.1Å; Q315-V327 HydrophobicContact CB-CG1 4.33Å
316	Y	98.4	Very high	96.3	Very high	99 Å²	99	44.3 Å²	44.3	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-68.7	-35.5	179.2	-175.8	-85.1	0	0	0	112.7	K209 E212 Y213 G312	K209-Y316 HydrophobicContact CB-CD1 4.47Å; K209-Y316 HydrophobicContact CD-CD1 4.34Å; K209-Y316 HydrophobicContact CD-CE1 3.8Å; K209-Y316 WeakPolarHBondContact O-CD1 3.48Å; E212-Y316 HydrophobicContact CB-CE1 3.99Å; E212-Y316 PolarHBondContact OE2-OH 2.56Å; Y213-Y316 HydrophobicContact CD2-CD1 4.18Å; Y213-Y316 HydrophobicContact CD2-CD2 4.03Å; Y213-Y316 AromaticContact CD2-CG 3.66Å; Y213-Y316 HydrophobicContact CD2-CG 3.66Å; Y213-Y316 HydrophobicContact CG-CD1 4.39Å; Y213-Y316 HydrophobicContact CG-CG 4.3Å; G312-Y316 VanDerWaalsContact O-CB 3.24Å; G312-Y316 WeakPolarHBondContact O-CB 3.2Å; G312-Y316 PolarHBondContact O-N 2.91Å
317	S	98.1	Very high	96.2	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-90.5	-5.5	-178.5	64.9	0	0	0	0	114.7	L206 L313 L314	L206-S317 VanDerWaalsContact CD1-O 3.26Å; L206-S317 WeakPolarHBondContact CD1-O 3.41Å; L313-S317 VanDerWaalsContact O-CB 3.31Å; L313-S317 WeakPolarHBondContact O-CB 3.38Å; L313-S317 PolarHBondContact O-N 3.48Å; L313-S317 PolarHBondContact O-OG 2.85Å; L314-S317 PolarHBondContact O-N 3.46Å
318	W	97.4	Very high	96.2	Very high	23 Å²	23	50.6 Å²	50.6	9%	0.087	31%	0.308	C	S	.	.			trans	-60.1	133.1	-175.3	-154.2	-115.2	0	0	0	112.8	L314 A320 K322 L325 F489 F491 L601 L605	L314-W318 WeakPolarHBondContact O-CB 3.47Å; L314-W318 PolarHBondContact O-N 3.25Å; W318-A320 PolarHBondContact O-N 3.09Å; W318-K322 HydrophobicContact CZ2-CB 4.4Å; W318-K322 PolarHBondContact NE1-O 2.96Å; W318-L325 HydrophobicContact CB-CG 4.4Å; W318-L325 HydrophobicContact CD2-CD1 3.75Å; W318-L325 HydrophobicContact CD2-CD2 3.91Å; W318-L325 HydrophobicContact CD2-CG 3.72Å; W318-L325 HydrophobicContact CE3-CD1 3.66Å; W318-L325 HydrophobicContact CE3-CD2 4.39Å; W318-L325 HydrophobicContact CE3-CG 4.17Å; W318-L325 HydrophobicContact CG-CD1 4.15Å; W318-L325 HydrophobicContact CG-CD2 4.36Å; W318-L325 HydrophobicContact CG-CG 3.83Å; W318-L325 HydrophobicContact CH2-CD2 4.28Å; W318-L325 HydrophobicContact CZ2-CD2 3.8Å; W318-L325 HydrophobicContact CZ3-CD1 4.12Å; W318-F489 HydrophobicContact CH2-CB 4.45Å; W318-F489 AromaticContact CH2-CD1 3.85Å; W318-F489 HydrophobicContact CH2-CD1 3.85Å; W318-F489 HydrophobicContact CH2-CE1 4.26Å; W318-F489 HydrophobicContact CH2-CG 4.1Å; W318-F489 HydrophobicContact CZ2-CB 4.15Å; W318-F489 AromaticContact CZ2-CD1 3.83Å; W318-F489 HydrophobicContact CZ2-CD1 3.83Å; W318-F489 AromaticContact CZ2-CD2 3.92Å; W318-F489 HydrophobicContact CZ2-CD2 3.92Å; W318-F489 HydrophobicContact CZ2-CE1 4.18Å; W318-F489 HydrophobicContact CZ2-CE2 4.27Å; W318-F489 AromaticContact CZ2-CG 3.69Å; W318-F489 HydrophobicContact CZ2-CG 3.69Å; W318-F489 HydrophobicContact CZ2-CZ 4.39Å; W318-F491 AromaticContact CH2-CE2 3.83Å; W318-F491 HydrophobicContact CH2-CE2 3.83Å; W318-F491 AromaticContact CH2-CZ 3.62Å; W318-F491 HydrophobicContact CH2-CZ 3.62Å; W318-F491 HydrophobicContact CZ2-CE2 4.42Å; W318-F491 HydrophobicContact CZ3-CE2 4.18Å; W318-F491 AromaticContact CZ3-CZ 3.64Å; W318-F491 HydrophobicContact CZ3-CZ 3.64Å; W318-L601 HydrophobicContact CZ3-CD1 4.48Å; W318-L605 HydrophobicContact CD2-CD2 4.41Å; W318-L605 HydrophobicContact CE3-CD2 4.19Å; W318-L605 HydrophobicContact CH2-CD2 3.4Å; W318-L605 HydrophobicContact CH2-CG 4.15Å; W318-L605 HydrophobicContact CZ2-CD2 3.62Å; W318-L605 HydrophobicContact CZ3-CD1 4.37Å; W318-L605 HydrophobicContact CZ3-CD2 3.7Å; W318-L605 HydrophobicContact CZ3-CG 4.25Å
319	P	95.7	Very high	96.2	Very high	15 Å²	15	48 Å²	48	10%	0.097	29%	0.287	C	S	.	.			trans	-63.5	121.8	172.3	-20.7	33.2	0	0	0	110.5	L202 E321 K322 L605	L202-P319 HydrophobicContact CD1-CB 4.42Å; L202-P319 HydrophobicContact CD1-CG 4.15Å; L202-P319 HydrophobicContact CD2-CG 4.37Å; L202-P319 HydrophobicContact CG-CG 4.24Å; P319-E321 HydrophobicContact CB-CG 3.85Å; P319-E321 PolarHBondContact O-N 3.08Å; P319-K322 WeakPolarHBondContact O-CA 3.09Å; P319-K322 WeakPolarHBondContact O-CB 3.43Å; P319-K322 PolarHBondContact O-N 2.88Å; P319-L605 HydrophobicContact CG-CD2 4.23Å
320	A	92.5	Very high	96.1	Very high	96 Å²	96	53.9 Å²	53.9	79%	0.793	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.1	-23.9	-179.4	0	0	0	0	0	113.7	W318 K322 G323	W318-A320 PolarHBondContact O-N 3.09Å; A320-K322 PolarHBondContact O-N 2.83Å; A320-G323 PolarHBondContact O-N 3Å
321	E	91.1	Very high	96.1	Very high	118 Å²	118	57.8 Å²	57.8	55%	0.551	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-67	-7.1	170.8	62.1	179.6	-94	0	0	114.5	K198 P319	K198-E321 WeakPolarHBondContact CE-OE1 3.25Å; K198-E321 IonicContact NZ-OE1 3.56Å; K198-E321 PolarHBondContact NZ-OE1 2.88Å; P319-E321 HydrophobicContact CB-CG 3.85Å; P319-E321 PolarHBondContact O-N 3.08Å
322	K	92.1	Very high	96.1	Very high	52 Å²	52	58.3 Å²	58.3	23%	0.226	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-113.7	24.6	175.1	-67.8	-56.9	-158.2	161	0	112.6	W318 P319 A320 D487 F489 L605	W318-K322 HydrophobicContact CZ2-CB 4.4Å; W318-K322 PolarHBondContact NE1-O 2.96Å; P319-K322 WeakPolarHBondContact O-CA 3.09Å; P319-K322 WeakPolarHBondContact O-CB 3.43Å; P319-K322 PolarHBondContact O-N 2.88Å; A320-K322 PolarHBondContact O-N 2.83Å; K322-D487 IonicContact NZ-OD1 2.75Å; K322-D487 PolarHBondContact NZ-OD1 3.26Å; K322-F489 HydrophobicContact CB-CE2 4.26Å; K322-F489 HydrophobicContact CD-CE2 3.86Å; K322-F489 HydrophobicContact CD-CZ 3.98Å; K322-F489 HydrophobicContact CG-CE2 4.3Å; K322-F489 HydrophobicContact CG-CZ 4.33Å; K322-L605 WeakPolarHBondContact CE-O 3.13Å; K322-L605 HydrophobicContact CG-CD2 4.33Å
323	G	91.2	Very high	96	Very high	50 Å²	50	59.4 Å²	59.4	52%	0.515	35%	0.345	S	S	.	.			trans	74	-155.9	175.6	0	0	0	0	0	113.7	A320	A320-G323 PolarHBondContact O-N 3Å
324	S	91.3	Very high	96	Very high	109 Å²	109	62 Å²	62	76%	0.762	36%	0.356	S	S	*	.			trans	-112.4	136	178.3	49.9	0	0	0	0	111.6
325	L	95.1	Very high	95.8	Very high	16 Å²	16	65.2 Å²	65.2	8%	0.084	37%	0.373	C	S	.	.			trans	-78.9	130.5	170.6	-64.9	-171.5	0	0	0	111.1	L314 Q315 W318 F329 F491	L314-L325 HydrophobicContact CB-CD1 4.05Å; Q315-L325 PolarHBondContact NE2-O 3.1Å; W318-L325 HydrophobicContact CB-CG 4.4Å; W318-L325 HydrophobicContact CD2-CD1 3.75Å; W318-L325 HydrophobicContact CD2-CD2 3.91Å; W318-L325 HydrophobicContact CD2-CG 3.72Å; W318-L325 HydrophobicContact CE3-CD1 3.66Å; W318-L325 HydrophobicContact CE3-CD2 4.39Å; W318-L325 HydrophobicContact CE3-CG 4.17Å; W318-L325 HydrophobicContact CG-CD1 4.15Å; W318-L325 HydrophobicContact CG-CD2 4.36Å; W318-L325 HydrophobicContact CG-CG 3.83Å; W318-L325 HydrophobicContact CH2-CD2 4.28Å; W318-L325 HydrophobicContact CZ2-CD2 3.8Å; W318-L325 HydrophobicContact CZ3-CD1 4.12Å; L325-F329 HydrophobicContact CD1-CE1 4.36Å; L325-F329 HydrophobicContact CD1-CZ 4.18Å; L325-F491 HydrophobicContact CD1-CE2 3.98Å; L325-F491 HydrophobicContact CD1-CZ 4.22Å; L325-F491 HydrophobicContact CD2-CD2 4.21Å; L325-F491 HydrophobicContact CD2-CE2 3.63Å; L325-F491 HydrophobicContact CG-CE2 4.48Å
326	T	93.7	Very high	95.8	Very high	121 Å²	121	65.1 Å²	65.1	74%	0.742	37%	0.372	S	S	*	.			trans	-80.9	130.7	165.7	-56.2	0	0	0	0	108.6	F329	T326-F329 WeakPolarHBondContact O-CD1 3.4Å
327	V	96	Very high	95.8	Very high	48 Å²	48	60.4 Å²	60.4	29%	0.291	35%	0.354	S	S	.	.	S	Bend	trans	-130.6	151.1	175.4	-60.2	0	0	0	0	109.1	E311 Q315 F329	E311-V327 HydrophobicContact CB-CB 4.28Å; E311-V327 HydrophobicContact CB-CG1 3.97Å; Q315-V327 HydrophobicContact CB-CG1 4.33Å; V327-F329 HydrophobicContact CG1-CD1 4.28Å; V327-F329 HydrophobicContact CG1-CE1 3.84Å; V327-F329 HydrophobicContact CG1-CZ 4.39Å
328	P	97.6	Very high	95.8	Very high	101 Å²	101	61.4 Å²	61.4	66%	0.656	36%	0.358	S	S	*	.	S	Bend	cis	-64.7	160.4	-3.7	30.3	-36.8	0	0	0	112.4	E311	E311-P328 WeakPolarHBondContact OE2-CA 3.05Å; E311-P328 WeakPolarHBondContact OE2-CB 3.44Å
329	F	98.4	Very high	95.7	Very high	18 Å²	18	65.7 Å²	65.7	8%	0.079	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-73.8	167.1	173.2	-59.8	-32.4	0	0	0	110.4	E311 L314 L325 T326 V327 F491 W493 L542	E311-F329 HydrophobicContact CB-CE2 4.49Å; E311-F329 HydrophobicContact CG-CD2 3.6Å; E311-F329 HydrophobicContact CG-CE2 3.79Å; E311-F329 HydrophobicContact CG-CG 4.01Å; E311-F329 HydrophobicContact CG-CZ 4.35Å; E311-F329 PolarHBondContact OE1-N 3.49Å; L314-F329 HydrophobicContact CB-CZ 4.42Å; L314-F329 HydrophobicContact CD1-CE2 3.98Å; L314-F329 HydrophobicContact CD1-CZ 4.24Å; L325-F329 HydrophobicContact CD1-CE1 4.36Å; L325-F329 HydrophobicContact CD1-CZ 4.18Å; T326-F329 WeakPolarHBondContact O-CD1 3.4Å; V327-F329 HydrophobicContact CG1-CD1 4.28Å; V327-F329 HydrophobicContact CG1-CE1 3.84Å; V327-F329 HydrophobicContact CG1-CZ 4.39Å; F329-F491 HydrophobicContact CB-CB 4.11Å; F329-F491 HydrophobicContact CD1-CB 3.62Å; F329-F491 HydrophobicContact CD1-CG 4.16Å; F329-F491 HydrophobicContact CD2-CB 3.65Å; F329-F491 HydrophobicContact CD2-CD1 4.27Å; F329-F491 HydrophobicContact CD2-CG 4.15Å; F329-F491 HydrophobicContact CE1-CB 3.86Å; F329-F491 HydrophobicContact CE1-CD1 4.48Å; F329-F491 AromaticContact CE1-CD2 3.97Å; F329-F491 HydrophobicContact CE1-CD2 3.97Å; F329-F491 AromaticContact CE1-CG 3.86Å; F329-F491 HydrophobicContact CE1-CG 3.86Å; F329-F491 HydrophobicContact CE2-CB 3.88Å; F329-F491 AromaticContact CE2-CD1 3.73Å; F329-F491 HydrophobicContact CE2-CD1 3.73Å; F329-F491 HydrophobicContact CE2-CE1 4.42Å; F329-F491 AromaticContact CE2-CG 3.84Å; F329-F491 HydrophobicContact CE2-CG 3.84Å; F329-F491 HydrophobicContact CG-CB 3.52Å; F329-F491 HydrophobicContact CG-CG 4.31Å; F329-F491 HydrophobicContact CZ-CB 3.99Å; F329-F491 AromaticContact CZ-CD1 3.86Å; F329-F491 HydrophobicContact CZ-CD1 3.86Å; F329-F491 HydrophobicContact CZ-CD2 4.04Å; F329-F491 HydrophobicContact CZ-CE1 4.32Å; F329-F491 HydrophobicContact CZ-CE2 4.5Å; F329-F491 AromaticContact CZ-CG 3.69Å; F329-F491 HydrophobicContact CZ-CG 3.69Å; F329-W493 AromaticContact CD2-NE1 3.73Å; F329-L542 HydrophobicContact CD2-CD1 3.77Å; F329-L542 HydrophobicContact CE2-CD1 4.08Å; F329-L542 HydrophobicContact CE2-CD2 4.4Å
330	Q	97.8	Very high	95.8	Very high	135 Å²	135	65.5 Å²	65.5	63%	0.631	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	148.6	171.9	-67.6	-173.7	-7.3	0	0	109.9	L492 W493	Q330-L492 HydrophobicContact CB-CD1 3.79Å; Q330-L492 CarbonylContact O-C 3.56Å; Q330-L492 WeakPolarHBondContact O-CA 3.31Å; Q330-W493 PolarHBondContact O-N 2.78Å
331	T	98.3	Very high	96.1	Very high	82 Å²	82	61.8 Å²	61.8	50%	0.503	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.7	176.6	-54	0	0	0	0	109.8	W493 V495	T331-W493 CarbonylContact C-O 3.46Å; T331-W493 WeakPolarHBondContact CA-O 3.4Å; T331-W493 HydrophobicContact CG2-CB 4.14Å; T331-V495 HydrophobicContact CG2-CB 4.49Å; T331-V495 HydrophobicContact CG2-CG1 3.83Å; T331-V495 HydrophobicContact CG2-CG2 3.77Å
332	M	98.1	Very high	96.3	Very high	26 Å²	26	56.2 Å²	56.2	13%	0.128	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	140.2	-179.4	-174.7	177.8	-53.4	0	0	109.5	E336 A337 Y341 L492 W493 V494 V495	M332-E336 HydrophobicContact CG-CB 3.52Å; M332-E336 HydrophobicContact SD-CB 4.3Å; M332-A337 HydrophobicContact CG-CB 4.44Å; M332-A337 HydrophobicContact SD-CB 3.97Å; M332-Y341 HydrophobicContact CE-CE2 3.75Å; M332-Y341 HydrophobicContact SD-CD2 4.09Å; M332-Y341 HydrophobicContact SD-CE2 3.83Å; M332-L492 HydrophobicContact CB-CD1 3.95Å; M332-L492 HydrophobicContact CB-CD2 4.31Å; M332-L492 HydrophobicContact CB-CG 4.46Å; M332-L492 HydrophobicContact CE-CD1 4.06Å; M332-L492 HydrophobicContact CE-CD2 4.06Å; M332-L492 HydrophobicContact SD-CD2 4.34Å; M332-W493 PolarHBondContact N-O 3.45Å; M332-V494 VanDerWaalsContact O-CA 3.27Å; M332-V494 WeakPolarHBondContact O-CA 3.26Å; M332-V495 PolarHBondContact O-N 3.49Å
333	T	98.3	Very high	96.6	Very high	39 Å²	39	55.5 Å²	55.5	24%	0.239	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	155.2	173.3	60.2	0	0	0	0	111.3	D335 E336 A337 V495 D496	T333-D335 VanDerWaalsContact C-N 3.28Å; T333-D335 PolarHBondContact O-N 2.81Å; T333-E336 WeakPolarHBondContact CB-OE2 2.96Å; T333-E336 PolarHBondContact N-OE2 3.4Å; T333-E336 WeakPolarHBondContact O-CB 3.32Å; T333-E336 PolarHBondContact O-N 2.86Å; T333-E336 WeakPolarHBondContact OG1-CB 3.29Å; T333-E336 VanDerWaalsContact OG1-CD 3.31Å; T333-E336 WeakPolarHBondContact OG1-CG 3.46Å; T333-E336 PolarHBondContact OG1-N 2.97Å; T333-E336 PolarHBondContact OG1-OE2 3.3Å; T333-A337 PolarHBondContact O-N 2.95Å; T333-V495 CarbonylContact C-O 3.53Å; T333-V495 WeakPolarHBondContact CA-O 3.44Å; T333-V495 HydrophobicContact CG2-CG2 4.42Å; T333-D496 HydrophobicContact CG2-CB 4.15Å
334	Y	97.6	Very high	96.8	Very high	55 Å²	55	55.2 Å²	55.2	22%	0.216	30%	0.302	C	S	.	.	H	α-helix	trans	-54.9	-42.4	175.6	171	-96.8	0	0	0	112.1	A337 M338 D344 V495 F497 P498	Y334-A337 PolarHBondContact O-N 3.48Å; Y334-M338 HydrophobicContact CD1-CG 4.28Å; Y334-M338 HydrophobicContact CD2-CG 4.19Å; Y334-M338 HydrophobicContact CE1-CG 3.87Å; Y334-M338 HydrophobicContact CE2-CG 3.76Å; Y334-M338 HydrophobicContact CE2-SD 4.22Å; Y334-M338 HydrophobicContact CG-CG 4.43Å; Y334-M338 WeakPolarHBondContact O-CB 3.3Å; Y334-M338 VanDerWaalsContact O-CG 3.32Å; Y334-M338 WeakPolarHBondContact O-CG 3.42Å; Y334-M338 PolarHBondContact O-N 2.8Å; Y334-D344 HydrophobicContact CD2-CB 4.28Å; Y334-D344 HydrophobicContact CE2-CB 4.08Å; Y334-V495 PolarHBondContact N-O 2.93Å; Y334-F497 AromaticContact CD2-CD1 3.32Å; Y334-F497 HydrophobicContact CD2-CD1 3.32Å; Y334-F497 AromaticContact CD2-CE1 3.51Å; Y334-F497 HydrophobicContact CD2-CE1 3.51Å; Y334-F497 AromaticContact CD2-CG 3.99Å; Y334-F497 HydrophobicContact CD2-CG 3.99Å; Y334-F497 HydrophobicContact CD2-CZ 4.29Å; Y334-F497 AromaticContact CE2-CD1 3.88Å; Y334-F497 HydrophobicContact CE2-CD1 3.88Å; Y334-F497 HydrophobicContact CE2-CE1 4.04Å; Y334-F497 AromaticContact CG-CD1 3.96Å; Y334-F497 HydrophobicContact CG-CD1 3.96Å; Y334-F497 HydrophobicContact CG-CE1 4.45Å; Y334-F497 HydrophobicContact CG-CG 4.2Å; Y334-P498 VanDerWaalsContact CD1-CD 3.44Å; Y334-P498 HydrophobicContact CD1-CG 4.38Å; Y334-P498 HydrophobicContact CE1-CG 4.05Å
335	D	95.9	Very high	97.1	Very high	68 Å²	68	52.8 Å²	52.8	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-34.1	176.3	173.5	52	0	0	0	112.4	T333 R339 R462	T333-D335 VanDerWaalsContact C-N 3.28Å; T333-D335 PolarHBondContact O-N 2.81Å; D335-R339 WeakPolarHBondContact O-CA 3.49Å; D335-R339 WeakPolarHBondContact O-CB 3.22Å; D335-R339 PolarHBondContact O-N 3.17Å; D335-R339 IonicContact OD1-NH1 2.64Å; D335-R339 IonicContact OD2-CZ 3.59Å; D335-R339 IonicContact OD2-NH1 3.61Å; D335-R339 PolarHBondContact OD2-NH1 3.01Å; D335-R339 IonicContact OD2-NH2 2.73Å; D335-R339 PolarHBondContact OD2-NH2 3.47Å; D335-R462 IonicContact OD1-CZ 2.65Å; D335-R462 IonicContact OD1-NH1 3.15Å; D335-R462 PolarHBondContact OD1-NH1 3.37Å; D335-R462 IonicContact OD1-NH2 3.12Å
336	E	97.8	Very high	97.3	Very high	91 Å²	91	52.1 Å²	52.1	43%	0.425	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-39.2	170.4	-74	169.1	119.7	0	0	113	M332 T333 G340	M332-E336 HydrophobicContact CG-CB 3.52Å; M332-E336 HydrophobicContact SD-CB 4.3Å; T333-E336 WeakPolarHBondContact CB-OE2 2.96Å; T333-E336 PolarHBondContact N-OE2 3.4Å; T333-E336 WeakPolarHBondContact O-CB 3.32Å; T333-E336 PolarHBondContact O-N 2.86Å; T333-E336 WeakPolarHBondContact OG1-CB 3.29Å; T333-E336 VanDerWaalsContact OG1-CD 3.31Å; T333-E336 WeakPolarHBondContact OG1-CG 3.46Å; T333-E336 PolarHBondContact OG1-N 2.97Å; T333-E336 PolarHBondContact OG1-OE2 3.3Å; E336-G340 WeakPolarHBondContact O-CA 3.37Å; E336-G340 PolarHBondContact O-N 3.47Å
337	A	98.1	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-49.6	175.2	0	0	0	0	0	110.6	M332 T333 Y334 Y341 G342 V343 P346 V494	M332-A337 HydrophobicContact CG-CB 4.44Å; M332-A337 HydrophobicContact SD-CB 3.97Å; T333-A337 PolarHBondContact O-N 2.95Å; Y334-A337 PolarHBondContact O-N 3.48Å; A337-Y341 WeakPolarHBondContact O-CA 3.47Å; A337-Y341 WeakPolarHBondContact O-CB 3.44Å; A337-Y341 PolarHBondContact O-N 2.79Å; A337-G342 PolarHBondContact O-N 2.86Å; A337-V343 CarbonylContact C-O 3.59Å; A337-P346 HydrophobicContact CB-CG 4.38Å; A337-V494 HydrophobicContact CB-CG1 4.22Å
338	M	97	Very high	97.5	Very high	27 Å²	27	45.3 Å²	45.3	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-40.3	177.7	-67.4	-58.7	-72.8	0	0	112.8	Y334 G342 V343 R462 P463	Y334-M338 HydrophobicContact CD1-CG 4.28Å; Y334-M338 HydrophobicContact CD2-CG 4.19Å; Y334-M338 HydrophobicContact CE1-CG 3.87Å; Y334-M338 HydrophobicContact CE2-CG 3.76Å; Y334-M338 HydrophobicContact CE2-SD 4.22Å; Y334-M338 HydrophobicContact CG-CG 4.43Å; Y334-M338 WeakPolarHBondContact O-CB 3.3Å; Y334-M338 VanDerWaalsContact O-CG 3.32Å; Y334-M338 WeakPolarHBondContact O-CG 3.42Å; Y334-M338 PolarHBondContact O-N 2.8Å; M338-G342 VanDerWaalsContact O-CA 3.27Å; M338-G342 WeakPolarHBondContact O-CA 3.42Å; M338-G342 PolarHBondContact O-N 2.84Å; M338-G342 VanDerWaalsContact O-N 3.09Å; M338-V343 VanDerWaalsContact SD-C 3.56Å; M338-V343 VanDerWaalsContact SD-CA 3.58Å; M338-R462 WeakPolarHBondContact O-CD 3.36Å; M338-P463 HydrophobicContact CE-CG 4.49Å
339	R	96.8	Very high	97.4	Very high	113 Å²	113	43 Å²	43	43%	0.426	21%	0.211	S	C	.	.	H	α-helix	trans	-66.7	-45	176	168.6	171.6	43.2	-110.2	-12.6	112.3	D335 L354	D335-R339 WeakPolarHBondContact O-CA 3.49Å; D335-R339 WeakPolarHBondContact O-CB 3.22Å; D335-R339 PolarHBondContact O-N 3.17Å; D335-R339 IonicContact OD1-NH1 2.64Å; D335-R339 IonicContact OD2-CZ 3.59Å; D335-R339 IonicContact OD2-NH1 3.61Å; D335-R339 PolarHBondContact OD2-NH1 3.01Å; D335-R339 IonicContact OD2-NH2 2.73Å; D335-R339 PolarHBondContact OD2-NH2 3.47Å; R339-L354 WeakPolarHBondContact O-CB 3.4Å
340	G	97.1	Very high	97.3	Very high	11 Å²	11	43 Å²	43	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-88.6	-27.6	-171.6	0	0	0	0	0	114.5	E336 K353 L354	E336-G340 WeakPolarHBondContact O-CA 3.37Å; E336-G340 PolarHBondContact O-N 3.47Å; G340-K353 CarbonylContact O-C 3.55Å; G340-K353 WeakPolarHBondContact O-CA 3.35Å; G340-K353 WeakPolarHBondContact O-CB 3.26Å; G340-L354 PolarHBondContact O-N 3.25Å
341	Y	98.1	Very high	97.1	Very high	17 Å²	17	38.8 Å²	38.8	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-132.3	-11	-170.4	-60	-92.5	0	0	0	114	M332 A337 V343 P346 K353 G466	M332-Y341 HydrophobicContact CE-CE2 3.75Å; M332-Y341 HydrophobicContact SD-CD2 4.09Å; M332-Y341 HydrophobicContact SD-CE2 3.83Å; A337-Y341 WeakPolarHBondContact O-CA 3.47Å; A337-Y341 WeakPolarHBondContact O-CB 3.44Å; A337-Y341 PolarHBondContact O-N 2.79Å; Y341-V343 PolarHBondContact O-N 3.2Å; Y341-P346 HydrophobicContact CD1-CB 3.71Å; Y341-P346 HydrophobicContact CD2-CB 3.83Å; Y341-P346 HydrophobicContact CD2-CG 4.32Å; Y341-P346 HydrophobicContact CE1-CB 4.32Å; Y341-P346 HydrophobicContact CE2-CB 4.44Å; Y341-P346 HydrophobicContact CG-CB 3.43Å; Y341-P346 VanDerWaalsContact CG-CB 3.43Å; Y341-P346 HydrophobicContact CG-CG 4.38Å; Y341-K353 HydrophobicContact CE1-CG 4.42Å; Y341-K353 WeakPolarHBondContact OH-CE 3.46Å; Y341-G466 WeakPolarHBondContact O-CA 3.37Å
342	G	97.1	Very high	97.1	Very high	2 Å²	2	36 Å²	36	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	73.9	8.6	179.8	0	0	0	0	0	115	A337 M338 R462 P463	A337-G342 PolarHBondContact O-N 2.86Å; M338-G342 VanDerWaalsContact O-CA 3.27Å; M338-G342 WeakPolarHBondContact O-CA 3.42Å; M338-G342 PolarHBondContact O-N 2.84Å; M338-G342 VanDerWaalsContact O-N 3.09Å; G342-R462 VanDerWaalsContact CA-O 3.24Å; G342-R462 WeakPolarHBondContact CA-O 3.24Å; G342-P463 WeakPolarHBondContact O-CA 3.11Å
343	V	97.1	Very high	97.1	Very high	37 Å²	37	40 Å²	40	22%	0.224	20%	0.202	C	C	.	.	S	Bend	trans	-152.9	146.6	-173.6	68.4	0	0	0	0	111	A337 M338 Y341 K345 P346	A337-V343 CarbonylContact C-O 3.59Å; M338-V343 VanDerWaalsContact SD-C 3.56Å; M338-V343 VanDerWaalsContact SD-CA 3.58Å; Y341-V343 PolarHBondContact O-N 3.2Å; V343-K345 VanDerWaalsContact C-N 3.32Å; V343-K345 HydrophobicContact CG2-CG 4.1Å; V343-P346 HydrophobicContact CG1-CB 4.34Å
344	D	96.4	Very high	97	Very high	43 Å²	43	38.8 Å²	38.8	23%	0.23	19%	0.194	C	C	.	.	S	Bend	trans	-66.3	-27.5	176.8	61	-6.5	0	0	0	113.9	Y334 P346 V494 F497	Y334-D344 HydrophobicContact CD2-CB 4.28Å; Y334-D344 HydrophobicContact CE2-CB 4.08Å; D344-P346 WeakPolarHBondContact O-CD 3.41Å; D344-V494 WeakPolarHBondContact O-CG2 3.16Å; D344-F497 HydrophobicContact CB-CE1 4.11Å
345	K	97.4	Very high	97	Very high	59 Å²	59	37.9 Å²	37.9	26%	0.257	19%	0.194	S	C	.	.	S	Bend	trans	-114.7	69.3	179.7	62.1	-164.9	113.5	-75.2	0	112.2	V343 V543 G546 E548	V343-K345 VanDerWaalsContact C-N 3.32Å; V343-K345 HydrophobicContact CG2-CG 4.1Å; K345-V543 HydrophobicContact CB-CG1 4.08Å; K345-V543 HydrophobicContact CB-CG2 3.99Å; K345-G546 CarbonylContact O-C 3.53Å; K345-G546 VanDerWaalsContact O-CA 3.32Å; K345-G546 WeakPolarHBondContact O-CA 3.1Å; K345-E548 HydrophobicContact CB-CB 4.38Å; K345-E548 HydrophobicContact CD-CB 4.02Å; K345-E548 IonicContact NZ-OE2 3.11Å
346	P	97.9	Very high	97.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.192	C	C	.	.			trans	-73.7	135.3	-171.8	30.5	-36.9	0	0	0	113.6	A337 Y341 V343 D344 T348 L492	A337-P346 HydrophobicContact CB-CG 4.38Å; Y341-P346 HydrophobicContact CD1-CB 3.71Å; Y341-P346 HydrophobicContact CD2-CB 3.83Å; Y341-P346 HydrophobicContact CD2-CG 4.32Å; Y341-P346 HydrophobicContact CE1-CB 4.32Å; Y341-P346 HydrophobicContact CE2-CB 4.44Å; Y341-P346 HydrophobicContact CG-CB 3.43Å; Y341-P346 VanDerWaalsContact CG-CB 3.43Å; Y341-P346 HydrophobicContact CG-CG 4.38Å; V343-P346 HydrophobicContact CG1-CB 4.34Å; D344-P346 WeakPolarHBondContact O-CD 3.41Å; P346-T348 HydrophobicContact CB-CG2 4.41Å; P346-T348 HydrophobicContact CG-CG2 4.25Å; P346-T348 PolarHBondContact O-N 3.28Å; P346-L492 HydrophobicContact CG-CD2 3.5Å; P346-L492 VanDerWaalsContact CG-CD2 3.5Å
347	D	97.6	Very high	97	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.172	C	C	.	.			trans	-77.5	96.4	166.1	-168.6	-9.9	0	0	0	109.1	R349 F350 R469 L470 R484	D347-R349 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 3.21Å; D347-R349 IonicContact OD1-CZ 2.7Å; D347-R349 PolarHBondContact OD1-N 3.17Å; D347-R349 IonicContact OD1-NE 3.79Å; D347-R349 PolarHBondContact OD1-NE 2.88Å; D347-R349 IonicContact OD1-NH2 2.66Å; D347-R349 PolarHBondContact OD1-NH2 3.4Å; D347-R349 IonicContact OD2-CZ 3.45Å; D347-R349 IonicContact OD2-NE 3.3Å; D347-R349 IonicContact OD2-NH2 3.01Å; D347-R349 PolarHBondContact OD2-NH2 2.83Å; D347-F350 HydrophobicContact CB-CE1 3.98Å; D347-R469 PolarHBondContact O-NH1 3.43Å; D347-R469 PolarHBondContact O-NH2 3.1Å; D347-L470 HydrophobicContact CB-CD2 3.95Å; D347-R484 WeakPolarHBondContact OD2-CD 3.27Å; D347-R484 IonicContact OD2-NH1 3.8Å; D347-R484 PolarHBondContact OD2-NH1 2.66Å
348	T	96.8	Very high	96.8	Very high	22 Å²	22	34.2 Å²	34.2	14%	0.135	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-2.3	-174.6	57.4	0	0	0	0	114.4	P346 F350 L492	P346-T348 HydrophobicContact CB-CG2 4.41Å; P346-T348 HydrophobicContact CG-CG2 4.25Å; P346-T348 PolarHBondContact O-N 3.28Å; T348-F350 PolarHBondContact O-N 2.94Å; T348-F350 VanDerWaalsContact O-N 3.13Å; T348-L492 HydrophobicContact CG2-CD2 3.93Å
349	R	96.1	Very high	96.7	Very high	54 Å²	54	37.1 Å²	37.1	20%	0.204	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.5	179.8	-68.6	177.8	-68.2	174.9	-2.3	114.4	D347 R484 D485 S488 N490 N545	D347-R349 VanDerWaalsContact C-N 3.31Å; D347-R349 PolarHBondContact O-N 3.21Å; D347-R349 IonicContact OD1-CZ 2.7Å; D347-R349 PolarHBondContact OD1-N 3.17Å; D347-R349 IonicContact OD1-NE 3.79Å; D347-R349 PolarHBondContact OD1-NE 2.88Å; D347-R349 IonicContact OD1-NH2 2.66Å; D347-R349 PolarHBondContact OD1-NH2 3.4Å; D347-R349 IonicContact OD2-CZ 3.45Å; D347-R349 IonicContact OD2-NE 3.3Å; D347-R349 IonicContact OD2-NH2 3.01Å; D347-R349 PolarHBondContact OD2-NH2 2.83Å; R349-R484 HydrophobicContact CB-CG 4.48Å; R349-D485 PolarHBondContact NH1-O 2.84Å; R349-S488 WeakPolarHBondContact CD-OG 3.43Å; R349-N490 HydrophobicContact CG-CB 3.93Å; R349-N545 WeakPolarHBondContact CD-OD1 3.24Å
350	F	96.6	Very high	96.5	Very high	17 Å²	17	32.4 Å²	32.4	8%	0.075	18%	0.179	C	C	.	.	S	Bend	trans	-140	165	-178.1	73.2	-78.8	0	0	0	112.3	D347 T348 M352 R469 L470 A473 V483 R484	D347-F350 HydrophobicContact CB-CE1 3.98Å; T348-F350 PolarHBondContact O-N 2.94Å; T348-F350 VanDerWaalsContact O-N 3.13Å; F350-M352 HydrophobicContact CD2-CB 4.27Å; F350-M352 HydrophobicContact CD2-CE 3.92Å; F350-M352 HydrophobicContact CD2-CG 4.08Å; F350-M352 HydrophobicContact CD2-SD 3.97Å; F350-M352 HydrophobicContact CE2-CB 4.12Å; F350-M352 HydrophobicContact CE2-CE 4.2Å; F350-M352 HydrophobicContact CE2-CG 4.19Å; F350-M352 HydrophobicContact CE2-SD 3.76Å; F350-R469 HydrophobicContact CE2-CG 3.8Å; F350-R469 HydrophobicContact CZ-CG 3.95Å; F350-R469 PolarHBondContact O-NH2 3.14Å; F350-L470 HydrophobicContact CE1-CD2 4.19Å; F350-L470 HydrophobicContact CZ-CD2 4.14Å; F350-A473 HydrophobicContact CD2-CB 4.33Å; F350-A473 HydrophobicContact CE1-CB 4.26Å; F350-A473 HydrophobicContact CE2-CB 3.71Å; F350-A473 HydrophobicContact CZ-CB 3.65Å; F350-V483 HydrophobicContact CB-CG1 3.71Å; F350-V483 WeakPolarHBondContact CB-O 3.4Å; F350-V483 HydrophobicContact CD2-CG1 3.77Å; F350-V483 HydrophobicContact CE2-CG1 4.49Å; F350-V483 HydrophobicContact CG-CG1 3.8Å; F350-R484 HydrophobicContact CB-CG 4.32Å; F350-R484 HydrophobicContact CD1-CG 3.56Å; F350-R484 HydrophobicContact CE1-CG 4.11Å; F350-R484 HydrophobicContact CG-CG 4.16Å
351	G	94.2	Very high	96.2	Very high	47 Å²	47	32 Å²	32	49%	0.485	17%	0.174	S	C	.	.			trans	-75.6	-121.7	179.7	0	0	0	0	0	113.6	K353 R469	G351-K353 VanDerWaalsContact C-N 3.32Å; G351-K353 PolarHBondContact O-N 3.24Å; G351-R469 PolarHBondContact O-NE 2.8Å; G351-R469 PolarHBondContact O-NH2 3.34Å
352	M	96.8	Very high	95.6	Very high	22 Å²	22	35.8 Å²	35.8	11%	0.108	20%	0.202	C	C	.	.			trans	54.2	44.3	-178.6	-53	179.6	-152	0	0	112.7	F350 I383 R384 R469 L476 V483	F350-M352 HydrophobicContact CD2-CB 4.27Å; F350-M352 HydrophobicContact CD2-CE 3.92Å; F350-M352 HydrophobicContact CD2-CG 4.08Å; F350-M352 HydrophobicContact CD2-SD 3.97Å; F350-M352 HydrophobicContact CE2-CB 4.12Å; F350-M352 HydrophobicContact CE2-CE 4.2Å; F350-M352 HydrophobicContact CE2-CG 4.19Å; F350-M352 HydrophobicContact CE2-SD 3.76Å; M352-I383 HydrophobicContact CB-CG2 3.89Å; M352-R384 WeakPolarHBondContact CG-O 3.39Å; M352-R469 HydrophobicContact CB-CG 3.96Å; M352-R469 WeakPolarHBondContact O-CD 3.49Å; M352-R469 WeakPolarHBondContact O-CG 3.46Å; M352-R469 PolarHBondContact O-NE 3.16Å; M352-L476 HydrophobicContact CE-CD1 3.41Å; M352-L476 VanDerWaalsContact CE-CD1 3.41Å; M352-L476 HydrophobicContact SD-CD1 4.4Å; M352-V483 HydrophobicContact CE-CG1 3.63Å; M352-V483 HydrophobicContact CE-CG2 4.32Å
353	K	97.7	Very high	95	Very high	112 Å²	112	40 Å²	40	49%	0.487	23%	0.232	S	C	.	.			trans	-65	151.8	176.6	-71.5	-170.9	175.4	-173	0	111.1	G340 Y341 G351	G340-K353 CarbonylContact O-C 3.55Å; G340-K353 WeakPolarHBondContact O-CA 3.35Å; G340-K353 WeakPolarHBondContact O-CB 3.26Å; Y341-K353 HydrophobicContact CE1-CG 4.42Å; Y341-K353 WeakPolarHBondContact OH-CE 3.46Å; G351-K353 VanDerWaalsContact C-N 3.32Å; G351-K353 PolarHBondContact O-N 3.24Å
354	L	97.9	Very high	94.4	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	135.3	168.2	-78.1	62.6	0	0	0	108.6	R339 G340 I383 R462 L465	R339-L354 WeakPolarHBondContact O-CB 3.4Å; G340-L354 PolarHBondContact O-N 3.25Å; L354-I383 HydrophobicContact CD1-CD1 3.83Å; L354-I383 HydrophobicContact CD1-CG1 3.9Å; L354-I383 HydrophobicContact CG-CD1 4.31Å; L354-I383 HydrophobicContact CG-CG1 4.1Å; L354-R462 HydrophobicContact CD2-CB 4.44Å; L354-R462 HydrophobicContact CD2-CG 4.36Å; L354-L465 HydrophobicContact CD1-CB 4.26Å; L354-L465 HydrophobicContact CD2-CB 3.81Å; L354-L465 HydrophobicContact CD2-CD1 4.34Å; L354-L465 HydrophobicContact CG-CB 3.87Å; L354-L465 HydrophobicContact CG-CD1 4.25Å
355	T	97.8	Very high	93.9	Very high	36 Å²	36	44.7 Å²	44.7	22%	0.221	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.7	178.4	-55.8	0	0	0	0	108.5	I357 Q381 A382 K442	T355-I357 HydrophobicContact CG2-CG2 3.98Å; T355-Q381 WeakPolarHBondContact O-CA 3.4Å; T355-A382 PolarHBondContact N-O 2.92Å; T355-A382 PolarHBondContact O-N 3.43Å; T355-K442 HydrophobicContact CG2-CG 4.29Å; T355-K442 WeakPolarHBondContact CG2-O 3.09Å
356	D	96.4	Very high	93.4	Very high	60 Å²	60	42.5 Å²	42.5	32%	0.321	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.9	172.4	-158.6	-62.3	0	0	0	110	S358 S379 Q381 K442	D356-S358 WeakPolarHBondContact OD1-CB 3.28Å; D356-S358 PolarHBondContact OD1-N 3.25Å; D356-S358 PolarHBondContact OD1-OG 2.98Å; D356-S379 PolarHBondContact OD2-OG 3.31Å; D356-Q381 PolarHBondContact OD2-NE2 3.03Å; D356-K442 WeakPolarHBondContact O-CE 3.47Å; D356-K442 PolarHBondContact O-NZ 3.43Å
357	I	96.1	Very high	92.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.266	C	S	.	.			trans	-128.8	21.9	-174.9	58	178.2	0	0	0	111.2	T355 D359 V360 F361 V380 A382 L439 K442 T443 L453	T355-I357 HydrophobicContact CG2-CG2 3.98Å; I357-D359 VanDerWaalsContact C-N 3.28Å; I357-D359 PolarHBondContact O-N 3.03Å; I357-V360 HydrophobicContact CB-CG2 4.39Å; I357-V360 WeakPolarHBondContact O-CB 3.47Å; I357-V360 PolarHBondContact O-N 3.01Å; I357-F361 HydrophobicContact CD1-CE2 3.98Å; I357-F361 HydrophobicContact CG1-CD2 4.48Å; I357-F361 HydrophobicContact CG1-CE2 4.28Å; I357-F361 WeakPolarHBondContact O-CD2 3.44Å; I357-V380 CarbonylContact C-O 3.55Å; I357-V380 HydrophobicContact CD1-CG1 4.14Å; I357-V380 HydrophobicContact CG1-CB 4.23Å; I357-V380 HydrophobicContact CG1-CG1 3.87Å; I357-V380 VanDerWaalsContact CG1-O 3.28Å; I357-V380 WeakPolarHBondContact CG1-O 3.48Å; I357-V380 PolarHBondContact N-O 2.87Å; I357-A382 HydrophobicContact CD1-CB 3.6Å; I357-L439 HydrophobicContact CD1-CD1 3.64Å; I357-K442 HydrophobicContact CG2-CD 4.22Å; I357-K442 HydrophobicContact CG2-CG 4.29Å; I357-T443 HydrophobicContact CG2-CG2 3.98Å; I357-L453 HydrophobicContact CD1-CD1 3.68Å; I357-L453 HydrophobicContact CD1-CG 4.14Å
358	S	94.8	Very high	92.3	Very high	21 Å²	21	51.4 Å²	51.4	15%	0.147	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-37.2	-178.9	-57.5	0	0	0	0	113.1	D356 F361 S362 S379 V380	D356-S358 WeakPolarHBondContact OD1-CB 3.28Å; D356-S358 PolarHBondContact OD1-N 3.25Å; D356-S358 PolarHBondContact OD1-OG 2.98Å; S358-F361 CarbonylContact O-C 3.55Å; S358-F361 PolarHBondContact O-N 3.45Å; S358-S362 PolarHBondContact O-N 2.9Å; S358-S362 VanDerWaalsContact O-N 3.12Å; S358-S379 WeakPolarHBondContact OG-CA 3.47Å; S358-S379 PolarHBondContact OG-OG 3.42Å; S358-V380 PolarHBondContact N-O 3.44Å; S358-V380 PolarHBondContact OG-N 3.12Å; S358-V380 PolarHBondContact OG-O 3.02Å
359	D	93.3	Very high	92	Very high	88 Å²	88	50.3 Å²	50.3	47%	0.471	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.3	-42.2	175.3	55.9	-20.1	0	0	0	113.1	I357 F361 S362 K442	I357-D359 VanDerWaalsContact C-N 3.28Å; I357-D359 PolarHBondContact O-N 3.03Å; D359-F361 PolarHBondContact O-N 2.97Å; D359-F361 VanDerWaalsContact O-N 3.16Å; D359-S362 VanDerWaalsContact O-CB 3.28Å; D359-S362 WeakPolarHBondContact O-CB 3.45Å; D359-S362 PolarHBondContact O-N 2.73Å; D359-S362 VanDerWaalsContact O-N 3.11Å; D359-S362 PolarHBondContact O-OG 3.39Å; D359-K442 IonicContact OD1-NZ 3.09Å; D359-K442 PolarHBondContact OD1-NZ 3.43Å; D359-K442 IonicContact OD2-NZ 2.78Å; D359-K442 PolarHBondContact OD2-NZ 3.02Å
360	V	92.7	Very high	91.7	Very high	15 Å²	15	53.3 Å²	53.3	9%	0.091	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.7	-25.2	176.3	-178.1	0	0	0	0	111.8	I357 V435 D438 L439 K442	I357-V360 HydrophobicContact CB-CG2 4.39Å; I357-V360 WeakPolarHBondContact O-CB 3.47Å; I357-V360 PolarHBondContact O-N 3.01Å; V360-V435 HydrophobicContact CG1-CG1 4.08Å; V360-D438 HydrophobicContact CG1-CB 4.01Å; V360-D438 HydrophobicContact CG2-CB 4.28Å; V360-L439 HydrophobicContact CG1-CB 4.14Å; V360-K442 HydrophobicContact CG2-CB 4.47Å; V360-K442 HydrophobicContact CG2-CD 4.04Å
361	F	90.7	Very high	91.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-109.5	9.6	179.1	-64.7	-67.7	0	0	0	114.5	I357 S358 D359 S363 T364 L369 L373 V380 M431 V435 L439 L453	I357-F361 HydrophobicContact CD1-CE2 3.98Å; I357-F361 HydrophobicContact CG1-CD2 4.48Å; I357-F361 HydrophobicContact CG1-CE2 4.28Å; I357-F361 WeakPolarHBondContact O-CD2 3.44Å; S358-F361 CarbonylContact O-C 3.55Å; S358-F361 PolarHBondContact O-N 3.45Å; D359-F361 PolarHBondContact O-N 2.97Å; D359-F361 VanDerWaalsContact O-N 3.16Å; F361-S363 PolarHBondContact O-N 3.19Å; F361-S363 VanDerWaalsContact O-N 3.09Å; F361-T364 HydrophobicContact CB-CG2 4.24Å; F361-T364 WeakPolarHBondContact O-CB 3.11Å; F361-T364 WeakPolarHBondContact O-CG2 3.2Å; F361-T364 PolarHBondContact O-N 2.76Å; F361-L369 HydrophobicContact CB-CD1 4.42Å; F361-L369 HydrophobicContact CD1-CD1 3.57Å; F361-L369 HydrophobicContact CD2-CD1 4.25Å; F361-L369 HydrophobicContact CE1-CD1 3.8Å; F361-L369 HydrophobicContact CE2-CD1 4.44Å; F361-L369 HydrophobicContact CG-CD1 3.81Å; F361-L369 HydrophobicContact CZ-CD1 4.24Å; F361-L373 HydrophobicContact CB-CD1 4Å; F361-V380 HydrophobicContact CB-CG2 4.5Å; F361-V380 HydrophobicContact CD2-CB 4.26Å; F361-V380 HydrophobicContact CD2-CG1 3.86Å; F361-V380 HydrophobicContact CD2-CG2 4.41Å; F361-V380 HydrophobicContact CE2-CG1 4.13Å; F361-M431 HydrophobicContact CE1-CG 4.25Å; F361-M431 HydrophobicContact CE1-SD 3.74Å; F361-M431 HydrophobicContact CZ-SD 3.87Å; F361-V435 HydrophobicContact CD1-CG1 4.14Å; F361-V435 HydrophobicContact CE1-CG1 3.74Å; F361-V435 HydrophobicContact CZ-CG1 4.48Å; F361-L439 HydrophobicContact CE2-CD1 4.46Å; F361-L453 HydrophobicContact CE2-CD1 4.02Å; F361-L453 HydrophobicContact CZ-CD1 4.24Å
362	S	85.9	Confident	91.1	Very high	96 Å²	96	53.1 Å²	53.1	67%	0.671	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.8	-178.4	53.8	0	0	0	0	115.3	S358 D359	S358-S362 PolarHBondContact O-N 2.9Å; S358-S362 VanDerWaalsContact O-N 3.12Å; D359-S362 VanDerWaalsContact O-CB 3.28Å; D359-S362 WeakPolarHBondContact O-CB 3.45Å; D359-S362 PolarHBondContact O-N 2.73Å; D359-S362 VanDerWaalsContact O-N 3.11Å; D359-S362 PolarHBondContact O-OG 3.39Å
363	S	84.4	Confident	90.9	Very high	92 Å²	92	54.5 Å²	54.5	64%	0.643	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	16	177.9	59	0	0	0	0	114.1	F361 Q365	F361-S363 PolarHBondContact O-N 3.19Å; F361-S363 VanDerWaalsContact O-N 3.09Å; S363-Q365 PolarHBondContact O-NE2 2.67Å
364	T	85.8	Confident	90.5	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.117	30%	0.297	C	S	.	.			trans	-64.4	140.6	-171.4	-165.2	0	0	0	0	113.9	F361 I366 L369 R370	F361-T364 HydrophobicContact CB-CG2 4.24Å; F361-T364 WeakPolarHBondContact O-CB 3.11Å; F361-T364 WeakPolarHBondContact O-CG2 3.2Å; F361-T364 PolarHBondContact O-N 2.76Å; T364-I366 WeakPolarHBondContact OG1-CB 3.46Å; T364-I366 WeakPolarHBondContact OG1-CG1 3.44Å; T364-I366 PolarHBondContact OG1-N 3.49Å; T364-I366 VanDerWaalsContact OG1-N 3.17Å; T364-L369 HydrophobicContact CG2-CB 3.8Å; T364-R370 HydrophobicContact CG2-CB 4.14Å
365	Q	84.6	Confident	89.9	Confident	159 Å²	159	57.6 Å²	57.6	74%	0.743	31%	0.314	S	S	*	.			trans	-96.9	7	169.5	-54.3	-55.1	-52.8	0	0	112	S363 E367	S363-Q365 PolarHBondContact O-NE2 2.67Å; Q365-E367 PolarHBondContact O-N 3.17Å
366	I	86.3	Confident	89.1	Confident	13 Å²	13	61.3 Å²	61.3	7%	0.067	34%	0.342	C	S	.	.			trans	-84.1	104.7	178.5	-57.1	174.4	0	0	0	108.1	T364 F368 L369 R370 L427 L430 M431	T364-I366 WeakPolarHBondContact OG1-CB 3.46Å; T364-I366 WeakPolarHBondContact OG1-CG1 3.44Å; T364-I366 PolarHBondContact OG1-N 3.49Å; T364-I366 VanDerWaalsContact OG1-N 3.17Å; I366-F368 VanDerWaalsContact C-N 3.29Å; I366-F368 PolarHBondContact O-N 2.92Å; I366-F368 VanDerWaalsContact O-N 3.14Å; I366-L369 HydrophobicContact CB-CB 4.41Å; I366-L369 HydrophobicContact CB-CD1 4.14Å; I366-L369 HydrophobicContact CB-CG 4.26Å; I366-L369 HydrophobicContact CD1-CD1 4.04Å; I366-L369 HydrophobicContact CG2-CD1 4.16Å; I366-L369 HydrophobicContact CG2-CG 4.01Å; I366-L369 PolarHBondContact O-N 2.98Å; I366-R370 PolarHBondContact O-N 2.8Å; I366-L427 HydrophobicContact CD1-CD2 4.33Å; I366-L427 HydrophobicContact CG2-CD2 4.27Å; I366-L430 HydrophobicContact CD1-CB 3.71Å; I366-L430 HydrophobicContact CD1-CD1 4.43Å; I366-L430 HydrophobicContact CG1-CB 3.73Å; I366-L430 HydrophobicContact CG1-CD1 4.08Å; I366-L430 HydrophobicContact CG2-CD1 4.47Å; I366-M431 HydrophobicContact CD1-CG 4.18Å
367	E	86.8	Confident	88.6	Confident	109 Å²	109	64.8 Å²	64.8	51%	0.509	36%	0.356	S	S	.	.	H	α-helix	trans	-50.4	-43.1	-170.1	-164.5	62.4	-116.5	0	0	114.2	Q365 L369 R370 S371	Q365-E367 PolarHBondContact O-N 3.17Å; E367-L369 PolarHBondContact O-N 2.98Å; E367-R370 PolarHBondContact O-N 3.29Å; E367-R370 IonicContact OE1-CZ 2.67Å; E367-R370 VanDerWaalsContact OE1-CZ 3.3Å; E367-R370 IonicContact OE1-NE 3.69Å; E367-R370 PolarHBondContact OE1-NE 3.18Å; E367-R370 VanDerWaalsContact OE1-NE 3.11Å; E367-R370 IonicContact OE1-NH2 3.81Å; E367-R370 PolarHBondContact OE1-NH2 2.87Å; E367-R370 IonicContact OE2-CZ 3.05Å; E367-R370 IonicContact OE2-NE 3.87Å; E367-R370 IonicContact OE2-NH2 3.66Å; E367-R370 PolarHBondContact OE2-NH2 2.97Å; E367-S371 WeakPolarHBondContact O-CB 3.28Å; E367-S371 PolarHBondContact O-N 2.96Å
368	F	86.6	Confident	88.4	Confident	82 Å²	82	65.8 Å²	65.8	36%	0.36	37%	0.366	S	S	.	.	H	α-helix	trans	-56.9	-47.1	176.3	164.2	-115.3	0	0	0	112.8	I366 A372 A455	I366-F368 VanDerWaalsContact C-N 3.29Å; I366-F368 PolarHBondContact O-N 2.92Å; I366-F368 VanDerWaalsContact O-N 3.14Å; F368-A372 PolarHBondContact O-N 3.47Å; F368-A372 VanDerWaalsContact O-N 3.14Å; F368-A455 HydrophobicContact CE1-CB 3.87Å; F368-A455 HydrophobicContact CE2-CB 4.34Å; F368-A455 HydrophobicContact CZ-CB 3.73Å
369	L	89.5	Confident	88.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-72.6	-39.4	-179.9	-58.3	-179.3	0	0	0	111.1	F361 T364 I366 E367 A372 L373 V380 L453 A455	F361-L369 HydrophobicContact CB-CD1 4.42Å; F361-L369 HydrophobicContact CD1-CD1 3.57Å; F361-L369 HydrophobicContact CD2-CD1 4.25Å; F361-L369 HydrophobicContact CE1-CD1 3.8Å; F361-L369 HydrophobicContact CE2-CD1 4.44Å; F361-L369 HydrophobicContact CG-CD1 3.81Å; F361-L369 HydrophobicContact CZ-CD1 4.24Å; T364-L369 HydrophobicContact CG2-CB 3.8Å; I366-L369 HydrophobicContact CB-CB 4.41Å; I366-L369 HydrophobicContact CB-CD1 4.14Å; I366-L369 HydrophobicContact CB-CG 4.26Å; I366-L369 HydrophobicContact CD1-CD1 4.04Å; I366-L369 HydrophobicContact CG2-CD1 4.16Å; I366-L369 HydrophobicContact CG2-CG 4.01Å; I366-L369 PolarHBondContact O-N 2.98Å; E367-L369 PolarHBondContact O-N 2.98Å; L369-A372 PolarHBondContact O-N 3.19Å; L369-L373 WeakPolarHBondContact O-CB 3.37Å; L369-L373 VanDerWaalsContact O-CG 3.28Å; L369-L373 WeakPolarHBondContact O-CG 3.45Å; L369-L373 PolarHBondContact O-N 2.81Å; L369-V380 HydrophobicContact CB-CG2 4.44Å; L369-V380 HydrophobicContact CD2-CG1 4.02Å; L369-V380 HydrophobicContact CD2-CG2 4.05Å; L369-L453 HydrophobicContact CD2-CD2 4.07Å; L369-A455 HydrophobicContact CD2-CB 3.66Å
370	R	89.8	Confident	88.5	Confident	117 Å²	117	60.7 Å²	60.7	44%	0.442	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-43.1	176.8	-171.4	-179.9	73.7	166.9	6.6	111.9	T364 I366 E367 L373 S374	T364-R370 HydrophobicContact CG2-CB 4.14Å; I366-R370 PolarHBondContact O-N 2.8Å; E367-R370 PolarHBondContact O-N 3.29Å; E367-R370 IonicContact OE1-CZ 2.67Å; E367-R370 VanDerWaalsContact OE1-CZ 3.3Å; E367-R370 IonicContact OE1-NE 3.69Å; E367-R370 PolarHBondContact OE1-NE 3.18Å; E367-R370 VanDerWaalsContact OE1-NE 3.11Å; E367-R370 IonicContact OE1-NH2 3.81Å; E367-R370 PolarHBondContact OE1-NH2 2.87Å; E367-R370 IonicContact OE2-CZ 3.05Å; E367-R370 IonicContact OE2-NE 3.87Å; E367-R370 IonicContact OE2-NH2 3.66Å; E367-R370 PolarHBondContact OE2-NH2 2.97Å; R370-L373 PolarHBondContact O-N 3.12Å; R370-S374 WeakPolarHBondContact O-CB 3.26Å; R370-S374 PolarHBondContact O-N 2.79Å; R370-S374 VanDerWaalsContact O-N 3.08Å
371	S	89.3	Confident	88.7	Confident	55 Å²	55	60.2 Å²	60.2	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-48.5	176.5	-178.8	0	0	0	0	110.8	E367 L373 S374	E367-S371 WeakPolarHBondContact O-CB 3.28Å; E367-S371 PolarHBondContact O-N 2.96Å; S371-L373 PolarHBondContact O-N 3.02Å; S371-S374 PolarHBondContact O-N 2.82Å; S371-S374 VanDerWaalsContact O-N 3.16Å; S371-S374 PolarHBondContact O-OG 2.84Å
372	A	90.6	Very high	89	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.033	33%	0.334	C	S	.	.	H	α-helix	trans	-56.6	-50.8	173.9	0	0	0	0	0	112.7	F368 L369 S374 Q375 G378 A455	F368-A372 PolarHBondContact O-N 3.47Å; F368-A372 VanDerWaalsContact O-N 3.14Å; L369-A372 PolarHBondContact O-N 3.19Å; A372-S374 PolarHBondContact O-N 2.61Å; A372-S374 VanDerWaalsContact O-N 3.15Å; A372-Q375 WeakPolarHBondContact O-CB 3.48Å; A372-Q375 PolarHBondContact O-N 2.86Å; A372-Q375 VanDerWaalsContact O-N 3.13Å; A372-G378 VanDerWaalsContact O-CA 3.26Å; A372-G378 WeakPolarHBondContact O-CA 3.33Å; A372-A455 HydrophobicContact CB-CB 3.63Å
373	L	91.8	Very high	89.6	Confident	52 Å²	52	55.5 Å²	55.5	27%	0.272	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-12.3	179.3	-70.2	172.5	0	0	0	114.3	F361 L369 R370 S371 V380	F361-L373 HydrophobicContact CB-CD1 4Å; L369-L373 WeakPolarHBondContact O-CB 3.37Å; L369-L373 VanDerWaalsContact O-CG 3.28Å; L369-L373 WeakPolarHBondContact O-CG 3.45Å; L369-L373 PolarHBondContact O-N 2.81Å; R370-L373 PolarHBondContact O-N 3.12Å; S371-L373 PolarHBondContact O-N 3.02Å; L373-V380 HydrophobicContact CD1-CG2 4.13Å; L373-V380 HydrophobicContact CD2-CG2 4Å; L373-V380 HydrophobicContact CG-CG2 3.94Å
374	S	88.9	Confident	90.2	Very high	95 Å²	95	54.7 Å²	54.7	66%	0.664	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.2	175.4	74.6	0	0	0	0	114.1	R370 S371 A372	R370-S374 WeakPolarHBondContact O-CB 3.26Å; R370-S374 PolarHBondContact O-N 2.79Å; R370-S374 VanDerWaalsContact O-N 3.08Å; S371-S374 PolarHBondContact O-N 2.82Å; S371-S374 VanDerWaalsContact O-N 3.16Å; S371-S374 PolarHBondContact O-OG 2.84Å; A372-S374 PolarHBondContact O-N 2.61Å; A372-S374 VanDerWaalsContact O-N 3.15Å
375	Q	86.3	Confident	90.8	Very high	94 Å²	94	53.8 Å²	53.8	44%	0.439	28%	0.279	S	S	.	.	S	Bend	trans	-85.5	151	-179.8	-64.1	173.5	8.1	0	0	111.4	A372 E377 G378	A372-Q375 WeakPolarHBondContact O-CB 3.48Å; A372-Q375 PolarHBondContact O-N 2.86Å; A372-Q375 VanDerWaalsContact O-N 3.13Å; Q375-E377 PolarHBondContact O-N 3.09Å; Q375-G378 PolarHBondContact O-N 3.18Å
376	S	80.8	Confident	91.4	Very high	114 Å²	114	48.7 Å²	48.7	80%	0.797	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	132.5	164.5	-169.6	0	0	0	0	109.1	G378	S376-G378 PolarHBondContact O-N 2.95Å
377	E	85.6	Confident	91.8	Very high	134 Å²	134	50.1 Å²	50.1	63%	0.626	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	23	-170.1	-50.1	-165.4	142	0	0	114.8	Q375 S457 L458	Q375-E377 PolarHBondContact O-N 3.09Å; E377-S457 WeakPolarHBondContact O-CA 3.13Å; E377-L458 PolarHBondContact O-N 3.45Å
378	G	91.6	Very high	92.2	Very high	20 Å²	20	45 Å²	45	21%	0.206	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.7	172.4	0	0	0	0	0	112.5	A372 Q375 S376 G456	A372-G378 VanDerWaalsContact O-CA 3.26Å; A372-G378 WeakPolarHBondContact O-CA 3.33Å; Q375-G378 PolarHBondContact O-N 3.18Å; S376-G378 PolarHBondContact O-N 2.95Å; G378-G456 WeakPolarHBondContact CA-O 3.31Å
379	S	94.3	Very high	92.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	153.6	-179.2	166.9	0	0	0	0	111.5	D356 S358 Q381 A455 G456 L458	D356-S379 PolarHBondContact OD2-OG 3.31Å; S358-S379 WeakPolarHBondContact OG-CA 3.47Å; S358-S379 PolarHBondContact OG-OG 3.42Å; S379-Q381 WeakPolarHBondContact OG-CG 3.46Å; S379-A455 VanDerWaalsContact O-CA 3.31Å; S379-A455 WeakPolarHBondContact O-CA 3.32Å; S379-G456 PolarHBondContact N-O 2.88Å; S379-G456 PolarHBondContact O-N 2.67Å; S379-G456 VanDerWaalsContact O-N 3.09Å; S379-L458 VanDerWaalsContact CB-CD2 3.49Å
380	V	95.7	Very high	92.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.3	163.4	-171.6	0	0	0	0	107.8	I357 S358 F361 L369 L373 L453 A454 A455	I357-V380 CarbonylContact C-O 3.55Å; I357-V380 HydrophobicContact CD1-CG1 4.14Å; I357-V380 HydrophobicContact CG1-CB 4.23Å; I357-V380 HydrophobicContact CG1-CG1 3.87Å; I357-V380 VanDerWaalsContact CG1-O 3.28Å; I357-V380 WeakPolarHBondContact CG1-O 3.48Å; I357-V380 PolarHBondContact N-O 2.87Å; S358-V380 PolarHBondContact N-O 3.44Å; S358-V380 PolarHBondContact OG-N 3.12Å; S358-V380 PolarHBondContact OG-O 3.02Å; F361-V380 HydrophobicContact CB-CG2 4.5Å; F361-V380 HydrophobicContact CD2-CB 4.26Å; F361-V380 HydrophobicContact CD2-CG1 3.86Å; F361-V380 HydrophobicContact CD2-CG2 4.41Å; F361-V380 HydrophobicContact CE2-CG1 4.13Å; L369-V380 HydrophobicContact CB-CG2 4.44Å; L369-V380 HydrophobicContact CD2-CG1 4.02Å; L369-V380 HydrophobicContact CD2-CG2 4.05Å; L373-V380 HydrophobicContact CD1-CG2 4.13Å; L373-V380 HydrophobicContact CD2-CG2 4Å; L373-V380 HydrophobicContact CG-CG2 3.94Å; V380-L453 HydrophobicContact CG1-CD1 4.39Å; V380-L453 HydrophobicContact CG1-CD2 3.89Å; V380-L453 HydrophobicContact CG1-CG 4.12Å; V380-A454 WeakPolarHBondContact CA-O 3.41Å; V380-A455 HydrophobicContact CB-CB 4.37Å; V380-A455 HydrophobicContact CG1-CB 4.27Å; V380-A455 HydrophobicContact CG2-CB 3.9Å
381	Q	97.1	Very high	93.1	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.019	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.1	179.8	-54.4	-156	-35.6	0	0	111.6	T355 D356 S379 A454 V461 L465	T355-Q381 WeakPolarHBondContact O-CA 3.4Å; D356-Q381 PolarHBondContact OD2-NE2 3.03Å; S379-Q381 WeakPolarHBondContact OG-CG 3.46Å; Q381-A454 PolarHBondContact N-O 2.99Å; Q381-A454 PolarHBondContact O-N 3.29Å; Q381-A454 VanDerWaalsContact O-O 3.13Å; Q381-V461 HydrophobicContact CB-CG1 3.79Å; Q381-V461 HydrophobicContact CG-CG1 3.95Å; Q381-L465 HydrophobicContact CB-CD1 3.61Å
382	A	97.4	Very high	93.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	159.4	174.7	0	0	0	0	0	113.6	T355 I357 T443 L452 L453	T355-A382 PolarHBondContact N-O 2.92Å; T355-A382 PolarHBondContact O-N 3.43Å; I357-A382 HydrophobicContact CD1-CB 3.6Å; A382-T443 HydrophobicContact CB-CG2 4.37Å; A382-L452 CarbonylContact C-O 3.51Å; A382-L452 WeakPolarHBondContact CA-O 3.43Å; A382-L452 VanDerWaalsContact CB-O 3.31Å; A382-L452 WeakPolarHBondContact CB-O 3.46Å; A382-L453 HydrophobicContact CB-CB 4.32Å
383	I	97.9	Very high	93.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.9	166.1	-68.6	162.6	0	0	0	108.6	M352 L354 V385 L451 L452 L465 R469	M352-I383 HydrophobicContact CB-CG2 3.89Å; L354-I383 HydrophobicContact CD1-CD1 3.83Å; L354-I383 HydrophobicContact CD1-CG1 3.9Å; L354-I383 HydrophobicContact CG-CD1 4.31Å; L354-I383 HydrophobicContact CG-CG1 4.1Å; I383-V385 HydrophobicContact CG2-CG2 4.08Å; I383-L451 WeakPolarHBondContact O-CA 3.25Å; I383-L452 HydrophobicContact CB-CB 4.45Å; I383-L452 PolarHBondContact N-O 3.4Å; I383-L452 PolarHBondContact O-N 2.96Å; I383-L465 HydrophobicContact CD1-CB 3.7Å; I383-L465 HydrophobicContact CD1-CD2 4.12Å; I383-L465 HydrophobicContact CD1-CG 4.41Å; I383-L465 WeakPolarHBondContact CD1-O 3.3Å; I383-L465 HydrophobicContact CG1-CB 4.41Å; I383-R469 HydrophobicContact CD1-CB 3.84Å
384	R	98	Very high	93.9	Very high	74 Å²	74	47 Å²	47	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.4	163.4	178.5	-176.4	172.4	-160	5.7	110.1	M352 P386 T443 E444 A445 D449 L451	M352-R384 WeakPolarHBondContact CG-O 3.39Å; R384-P386 WeakPolarHBondContact O-CD 3.37Å; R384-T443 VanDerWaalsContact CD-O 3.27Å; R384-T443 WeakPolarHBondContact CD-O 3.5Å; R384-E444 PolarHBondContact NE-O 3.35Å; R384-E444 PolarHBondContact NH1-O 3.45Å; R384-E444 PolarHBondContact NH2-O 3.29Å; R384-A445 HydrophobicContact CG-CB 4.42Å; R384-D449 IonicContact CZ-OD2 2.71Å; R384-D449 IonicContact NE-OD2 3.18Å; R384-D449 PolarHBondContact NE-OD2 3.03Å; R384-D449 IonicContact NH2-OD2 3.75Å; R384-D449 PolarHBondContact NH2-OD2 3.01Å; R384-L451 HydrophobicContact CB-CD2 4.05Å
385	V	98.1	Very high	94.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	101.4	173.2	-178	0	0	0	0	108.3	I383 G388 F392 L450 L452 A472 L476	I383-V385 HydrophobicContact CG2-CG2 4.08Å; V385-G388 PolarHBondContact O-N 3.25Å; V385-G388 VanDerWaalsContact O-N 3.09Å; V385-F392 HydrophobicContact CG1-CE2 3.91Å; V385-F392 HydrophobicContact CG1-CZ 3.87Å; V385-L450 HydrophobicContact CB-CB 4.27Å; V385-L450 PolarHBondContact N-O 3.07Å; V385-L450 PolarHBondContact O-N 3.23Å; V385-L450 VanDerWaalsContact O-N 3.08Å; V385-L452 HydrophobicContact CG2-CD1 3.9Å; V385-L452 HydrophobicContact CG2-CG 3.89Å; V385-A472 HydrophobicContact CG1-CB 4.07Å; V385-A472 HydrophobicContact CG2-CB 3.84Å; V385-L476 HydrophobicContact CG1-CD1 3.81Å; V385-L476 HydrophobicContact CG1-CG 4.38Å
386	P	96.4	Very high	94.8	Very high	52 Å²	52	45.8 Å²	45.8	34%	0.338	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	136.8	-177.8	-27.4	36.3	0	0	0	113	R384 G388 D449	R384-P386 WeakPolarHBondContact O-CD 3.37Å; P386-G388 PolarHBondContact O-N 2.82Å; P386-D449 VanDerWaalsContact CA-OD1 3.24Å; P386-D449 WeakPolarHBondContact CA-OD1 3.42Å
387	S	95.6	Very high	95.6	Very high	44 Å²	44	41.4 Å²	41.4	31%	0.308	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	6.2	-173.9	-54.1	0	0	0	0	116	A389 K390 L391 G448 D449	S387-A389 VanDerWaalsContact C-N 3.33Å; S387-A389 PolarHBondContact O-N 2.85Å; S387-K390 WeakPolarHBondContact O-CB 3.32Å; S387-K390 PolarHBondContact O-N 2.97Å; S387-L391 PolarHBondContact O-N 3.01Å; S387-G448 CarbonylContact C-O 3.6Å; S387-G448 VanDerWaalsContact CA-O 3.28Å; S387-G448 WeakPolarHBondContact CA-O 3.36Å; S387-D449 PolarHBondContact N-OD1 3.18Å
388	G	95.4	Very high	96.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-33.4	-170.8	0	0	0	0	0	114.1	V385 P386 K390 F392 G448	V385-G388 PolarHBondContact O-N 3.25Å; V385-G388 VanDerWaalsContact O-N 3.09Å; P386-G388 PolarHBondContact O-N 2.82Å; G388-K390 VanDerWaalsContact C-N 3.27Å; G388-K390 PolarHBondContact O-N 3.37Å; G388-F392 VanDerWaalsContact O-CB 3.26Å; G388-F392 WeakPolarHBondContact O-CB 3.45Å; G388-F392 WeakPolarHBondContact O-CG 3.24Å; G388-F392 PolarHBondContact O-N 3.27Å; G388-F392 VanDerWaalsContact O-N 3.08Å; G388-G448 PolarHBondContact N-O 3.35Å
389	A	95.8	Very high	96.3	Very high	28 Å²	28	42 Å²	42	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-78.3	-12.9	177.1	0	0	0	0	0	113.5	S387 L416 G448 D449 L450	S387-A389 VanDerWaalsContact C-N 3.33Å; S387-A389 PolarHBondContact O-N 2.85Å; A389-L416 HydrophobicContact CB-CB 3.66Å; A389-L416 HydrophobicContact CB-CD2 4.02Å; A389-L416 HydrophobicContact CB-CG 3.69Å; A389-G448 WeakPolarHBondContact CB-O 3.38Å; A389-G448 PolarHBondContact N-O 2.88Å; A389-D449 WeakPolarHBondContact CB-O 3.45Å; A389-L450 HydrophobicContact CB-CB 4.4Å
390	K	94	Very high	96.4	Very high	133 Å²	133	41.9 Å²	41.9	58%	0.578	22%	0.224	S	C	*	.	H	α-helix	trans	-93.7	-34.4	177	-173	172.8	-168.7	140.9	0	112.8	S387 G388 E419 G448	S387-K390 WeakPolarHBondContact O-CB 3.32Å; S387-K390 PolarHBondContact O-N 2.97Å; G388-K390 VanDerWaalsContact C-N 3.27Å; G388-K390 PolarHBondContact O-N 3.37Å; K390-E419 WeakPolarHBondContact CD-OE1 3.37Å; K390-E419 VanDerWaalsContact CE-OE1 3.26Å; K390-E419 WeakPolarHBondContact CE-OE1 3.23Å; K390-E419 IonicContact NZ-OE1 3.7Å; K390-E419 PolarHBondContact NZ-OE1 3.38Å; K390-E419 IonicContact NZ-OE2 3.84Å; K390-G448 PolarHBondContact N-O 3.17Å
391	L	95.4	Very high	96.4	Very high	54 Å²	54	45 Å²	45	28%	0.283	24%	0.237	S	C	.	.	H	α-helix	trans	-101.4	-38.7	-173.9	-65	176.7	0	0	0	114.3	S387 T393 L476 H479 L481	S387-L391 PolarHBondContact O-N 3.01Å; L391-T393 PolarHBondContact O-N 3.43Å; L391-L476 HydrophobicContact CD1-CD2 4.05Å; L391-H479 HydrophobicContact CB-CB 4.48Å; L391-L481 HydrophobicContact CD1-CD1 3.4Å; L391-L481 VanDerWaalsContact CD1-CD1 3.4Å; L391-L481 HydrophobicContact CD1-CG 3.79Å
392	F	97.1	Very high	96.3	Very high	16 Å²	16	50.4 Å²	50.4	7%	0.07	26%	0.263	C	S	.	.			trans	-73	129.8	-173.6	-67.8	-6.6	0	0	0	111.9	V385 G388 D396 L397 L400 L450 A472 L475 L476	V385-F392 HydrophobicContact CG1-CE2 3.91Å; V385-F392 HydrophobicContact CG1-CZ 3.87Å; G388-F392 VanDerWaalsContact O-CB 3.26Å; G388-F392 WeakPolarHBondContact O-CB 3.45Å; G388-F392 WeakPolarHBondContact O-CG 3.24Å; G388-F392 PolarHBondContact O-N 3.27Å; G388-F392 VanDerWaalsContact O-N 3.08Å; F392-D396 HydrophobicContact CB-CB 4.11Å; F392-D396 HydrophobicContact CG-CB 4.34Å; F392-L397 HydrophobicContact CB-CD2 3.98Å; F392-L397 HydrophobicContact CB-CG 4.28Å; F392-L397 HydrophobicContact CD2-CD2 4.11Å; F392-L400 HydrophobicContact CD2-CD1 4.07Å; F392-L400 HydrophobicContact CE2-CD1 3.88Å; F392-L450 HydrophobicContact CD2-CD2 3.62Å; F392-L450 HydrophobicContact CE2-CD2 3.95Å; F392-A472 HydrophobicContact CZ-CB 4.35Å; F392-L475 HydrophobicContact CD1-CB 4.33Å; F392-L475 HydrophobicContact CE1-CB 3.58Å; F392-L475 HydrophobicContact CZ-CB 3.7Å; F392-L475 HydrophobicContact CZ-CD1 4.43Å; F392-L476 HydrophobicContact CD1-CD2 4.4Å; F392-L476 HydrophobicContact CE1-CD2 3.57Å; F392-L476 HydrophobicContact CE1-CG 3.68Å; F392-L476 HydrophobicContact CZ-CD2 4Å; F392-L476 HydrophobicContact CZ-CG 3.81Å
393	T	95.8	Very high	96.2	Very high	68 Å²	68	51.2 Å²	51.2	42%	0.417	27%	0.267	S	S	.	.			trans	-75.2	165.8	174	76.5	0	0	0	0	110.8	L391 K395 D396 L397	L391-T393 PolarHBondContact O-N 3.43Å; T393-K395 PolarHBondContact O-N 2.75Å; T393-K395 VanDerWaalsContact O-N 3.11Å; T393-K395 PolarHBondContact OG1-N 3.34Å; T393-D396 WeakPolarHBondContact CA-OD2 3.32Å; T393-D396 VanDerWaalsContact CB-OD2 3.25Å; T393-D396 WeakPolarHBondContact CB-OD2 3.48Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.43Å; T393-D396 PolarHBondContact N-OD2 3.25Å; T393-D396 PolarHBondContact O-N 2.95Å; T393-D396 PolarHBondContact OG1-N 2.98Å; T393-D396 PolarHBondContact OG1-OD2 2.73Å; T393-L397 WeakPolarHBondContact O-CG 3.28Å; T393-L397 PolarHBondContact O-N 3.23Å
394	G	95.4	Very high	96	Very high	54 Å²	54	51.2 Å²	51.2	56%	0.557	27%	0.267	S	S	*	.	H	α-helix	trans	-55.8	-27.9	172.8	0	0	0	0	0	113.6	E398	G394-E398 WeakPolarHBondContact O-CG 3.5Å; G394-E398 PolarHBondContact O-N 3.45Å
395	K	96.4	Very high	95.8	Very high	151 Å²	151	52.9 Å²	52.9	66%	0.657	28%	0.277	S	S	*	.	H	α-helix	trans	-67.9	-46.3	175.3	-176.4	-162.3	165.4	-153.4	0	111.3	T393 L397 E398 E399	T393-K395 PolarHBondContact O-N 2.75Å; T393-K395 VanDerWaalsContact O-N 3.11Å; T393-K395 PolarHBondContact OG1-N 3.34Å; K395-L397 VanDerWaalsContact C-N 3.3Å; K395-L397 PolarHBondContact O-N 3.11Å; K395-E398 PolarHBondContact O-N 2.81Å; K395-E399 WeakPolarHBondContact O-CB 3.25Å; K395-E399 PolarHBondContact O-N 3.25Å
396	D	96.9	Very high	95.5	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.064	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-35.2	-176.5	-48.4	-61.2	0	0	0	111.2	F392 T393 E399 L400 L475 H479	F392-D396 HydrophobicContact CB-CB 4.11Å; F392-D396 HydrophobicContact CG-CB 4.34Å; T393-D396 WeakPolarHBondContact CA-OD2 3.32Å; T393-D396 VanDerWaalsContact CB-OD2 3.25Å; T393-D396 WeakPolarHBondContact CB-OD2 3.48Å; T393-D396 WeakPolarHBondContact CG2-OD2 3.43Å; T393-D396 PolarHBondContact N-OD2 3.25Å; T393-D396 PolarHBondContact O-N 2.95Å; T393-D396 PolarHBondContact OG1-N 2.98Å; T393-D396 PolarHBondContact OG1-OD2 2.73Å; D396-E399 PolarHBondContact O-N 3.08Å; D396-L400 WeakPolarHBondContact O-CG 3.47Å; D396-L400 PolarHBondContact O-N 3.1Å; D396-L475 HydrophobicContact CB-CD1 4.27Å; D396-L475 HydrophobicContact CB-CD2 4.2Å; D396-H479 IonicContact OD2-CE1 2.66Å; D396-H479 PolarHBondContact OD2-CE1 2.85Å; D396-H479 IonicContact OD2-NE2 2.79Å
397	L	96.8	Very high	95.2	Very high	22 Å²	22	59.9 Å²	59.9	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-41.9	174	-62.1	177.5	0	0	0	112.3	F392 T393 K395 K401 L414 L416 L450	F392-L397 HydrophobicContact CB-CD2 3.98Å; F392-L397 HydrophobicContact CB-CG 4.28Å; F392-L397 HydrophobicContact CD2-CD2 4.11Å; T393-L397 WeakPolarHBondContact O-CG 3.28Å; T393-L397 PolarHBondContact O-N 3.23Å; K395-L397 VanDerWaalsContact C-N 3.3Å; K395-L397 PolarHBondContact O-N 3.11Å; L397-K401 PolarHBondContact O-N 3.38Å; L397-L414 HydrophobicContact CB-CD1 3.75Å; L397-L414 HydrophobicContact CD2-CD1 4.1Å; L397-L414 HydrophobicContact CG-CD1 4.42Å; L397-L414 WeakPolarHBondContact O-CD1 3.38Å; L397-L416 HydrophobicContact CD1-CD1 4.41Å; L397-L416 HydrophobicContact CD1-CD2 4.28Å; L397-L450 HydrophobicContact CD2-CD1 4.32Å; L397-L450 HydrophobicContact CD2-CD2 3.59Å
398	E	96.1	Very high	95	Very high	103 Å²	103	60.7 Å²	60.7	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-72.5	-30.6	172.7	-61.8	-49	127.5	0	0	112.4	G394 K395 L400 K401 Q402	G394-E398 WeakPolarHBondContact O-CG 3.5Å; G394-E398 PolarHBondContact O-N 3.45Å; K395-E398 PolarHBondContact O-N 2.81Å; E398-L400 PolarHBondContact O-N 3.46Å; E398-K401 VanDerWaalsContact CD-NZ 3.25Å; E398-K401 PolarHBondContact O-N 2.92Å; E398-K401 IonicContact OE1-NZ 3.38Å; E398-K401 PolarHBondContact OE1-NZ 3.02Å; E398-K401 VanDerWaalsContact OE2-CD 3.24Å; E398-K401 WeakPolarHBondContact OE2-CD 3.46Å; E398-K401 IonicContact OE2-NZ 3.41Å; E398-K401 PolarHBondContact OE2-NZ 3.35Å; E398-Q402 VanDerWaalsContact O-CB 3.27Å; E398-Q402 WeakPolarHBondContact O-CB 3.42Å; E398-Q402 PolarHBondContact O-N 3.44Å
399	E	96.4	Very high	94.8	Very high	64 Å²	64	63.6 Å²	63.6	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-38.8	174.5	-170.4	170.7	151.1	0	0	111.7	K395 D396 Q402 T403 K471	K395-E399 WeakPolarHBondContact O-CB 3.25Å; K395-E399 PolarHBondContact O-N 3.25Å; D396-E399 PolarHBondContact O-N 3.08Å; E399-Q402 PolarHBondContact O-N 3.36Å; E399-T403 WeakPolarHBondContact O-CB 3.34Å; E399-T403 PolarHBondContact O-N 2.89Å; E399-T403 PolarHBondContact O-OG1 3.5Å; E399-K471 WeakPolarHBondContact OE1-CE 3.43Å; E399-K471 IonicContact OE1-NZ 3.25Å; E399-K471 PolarHBondContact OE1-NZ 3.03Å
400	L	96.7	Very high	94.4	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-46.1	173	-72.8	165.7	0	0	0	112.1	F392 D396 E398 T403 A404 L412 L452 L468 K471 L475	F392-L400 HydrophobicContact CD2-CD1 4.07Å; F392-L400 HydrophobicContact CE2-CD1 3.88Å; D396-L400 WeakPolarHBondContact O-CG 3.47Å; D396-L400 PolarHBondContact O-N 3.1Å; E398-L400 PolarHBondContact O-N 3.46Å; L400-T403 WeakPolarHBondContact O-CB 3.46Å; L400-T403 PolarHBondContact O-N 3.29Å; L400-A404 PolarHBondContact O-N 3.33Å; L400-A404 VanDerWaalsContact O-N 3.09Å; L400-L412 HydrophobicContact CB-CD2 4.12Å; L400-L452 HydrophobicContact CD1-CD2 4.11Å; L400-L468 HydrophobicContact CB-CD2 4.42Å; L400-L468 HydrophobicContact CD2-CD2 3.9Å; L400-L468 WeakPolarHBondContact O-CD2 3.28Å; L400-K471 HydrophobicContact CD2-CB 4.19Å; L400-K471 HydrophobicContact CD2-CG 3.83Å; L400-L475 HydrophobicContact CD1-CD1 4.21Å; L400-L475 HydrophobicContact CD2-CD1 4.05Å; L400-L475 HydrophobicContact CG-CD1 3.98Å
401	K	96.4	Very high	94.3	Very high	67 Å²	67	63.6 Å²	63.6	29%	0.291	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-44.9	175.2	-68.7	169.3	178	173.7	0	112.4	L397 E398 T403 A404 K405 L412 L414	L397-K401 PolarHBondContact O-N 3.38Å; E398-K401 VanDerWaalsContact CD-NZ 3.25Å; E398-K401 PolarHBondContact O-N 2.92Å; E398-K401 IonicContact OE1-NZ 3.38Å; E398-K401 PolarHBondContact OE1-NZ 3.02Å; E398-K401 VanDerWaalsContact OE2-CD 3.24Å; E398-K401 WeakPolarHBondContact OE2-CD 3.46Å; E398-K401 IonicContact OE2-NZ 3.41Å; E398-K401 PolarHBondContact OE2-NZ 3.35Å; K401-T403 PolarHBondContact O-N 3.45Å; K401-A404 WeakPolarHBondContact O-CB 3.36Å; K401-A404 PolarHBondContact O-N 3.36Å; K401-K405 WeakPolarHBondContact O-CB 3.39Å; K401-K405 PolarHBondContact O-N 3.34Å; K401-L412 HydrophobicContact CG-CB 4.43Å; K401-L414 HydrophobicContact CD-CD1 4.34Å; K401-L414 HydrophobicContact CG-CD1 4.12Å; K401-L414 HydrophobicContact CG-CG 4.38Å
402	Q	95.3	Very high	94.2	Very high	117 Å²	117	61.5 Å²	61.5	55%	0.547	33%	0.328	S	S	.	.	H	α-helix	trans	-65.3	-33.3	-180	-175.5	58.5	27.3	0	0	110.8	E398 E399 S406	E398-Q402 VanDerWaalsContact O-CB 3.27Å; E398-Q402 WeakPolarHBondContact O-CB 3.42Å; E398-Q402 PolarHBondContact O-N 3.44Å; E399-Q402 PolarHBondContact O-N 3.36Å; Q402-S406 VanDerWaalsContact O-CB 3.25Å; Q402-S406 WeakPolarHBondContact O-CB 3.46Å; Q402-S406 PolarHBondContact O-N 2.99Å; Q402-S406 PolarHBondContact O-OG 3.09Å
403	T	93.9	Very high	94.1	Very high	16 Å²	16	62 Å²	62	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-61.4	-52.7	171.2	-58.7	0	0	0	0	110.7	E399 L400 K401 K405 S406 Q407 L468	E399-T403 WeakPolarHBondContact O-CB 3.34Å; E399-T403 PolarHBondContact O-N 2.89Å; E399-T403 PolarHBondContact O-OG1 3.5Å; L400-T403 WeakPolarHBondContact O-CB 3.46Å; L400-T403 PolarHBondContact O-N 3.29Å; K401-T403 PolarHBondContact O-N 3.45Å; T403-K405 VanDerWaalsContact C-N 3.35Å; T403-K405 PolarHBondContact O-N 3.36Å; T403-S406 PolarHBondContact O-N 3.09Å; T403-Q407 WeakPolarHBondContact O-CB 3.34Å; T403-Q407 PolarHBondContact O-N 3.47Å; T403-L468 HydrophobicContact CG2-CD2 4.01Å
404	A	94.8	Very high	94.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-52.9	-50.5	175.9	0	0	0	0	0	112.4	L400 K401 F408 G409 Q410 L412 M464 L468	L400-A404 PolarHBondContact O-N 3.33Å; L400-A404 VanDerWaalsContact O-N 3.09Å; K401-A404 WeakPolarHBondContact O-CB 3.36Å; K401-A404 PolarHBondContact O-N 3.36Å; A404-F408 WeakPolarHBondContact O-CB 3.27Å; A404-F408 PolarHBondContact O-N 3.04Å; A404-G409 PolarHBondContact O-N 2.99Å; A404-Q410 CarbonylContact C-O 3.41Å; A404-L412 HydrophobicContact CB-CB 3.83Å; A404-L412 HydrophobicContact CB-CD2 4.38Å; A404-M464 HydrophobicContact CB-CG 4.28Å; A404-M464 HydrophobicContact CB-SD 3.56Å; A404-M464 VanDerWaalsContact CB-SD 3.56Å; A404-L468 HydrophobicContact CB-CD1 4.29Å
405	K	93.7	Very high	94.2	Very high	110 Å²	110	57 Å²	57	48%	0.478	29%	0.291	S	S	.	.	H	α-helix	trans	-71.2	-39.2	-174.9	-169.7	160.5	-172.1	152.1	0	113.8	K401 T403 G409 Q410 E411	K401-K405 WeakPolarHBondContact O-CB 3.39Å; K401-K405 PolarHBondContact O-N 3.34Å; T403-K405 VanDerWaalsContact C-N 3.35Å; T403-K405 PolarHBondContact O-N 3.36Å; K405-G409 WeakPolarHBondContact O-CA 3.5Å; K405-G409 PolarHBondContact O-N 3.27Å; K405-Q410 WeakPolarHBondContact CA-O 3.44Å; K405-Q410 PolarHBondContact N-O 2.97Å; K405-E411 WeakPolarHBondContact CE-OE1 3.36Å; K405-E411 IonicContact NZ-OE1 3.85Å; K405-E411 PolarHBondContact NZ-OE1 3.48Å
406	S	92.2	Very high	94.2	Very high	79 Å²	79	51 Å²	51	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-86.1	-24.8	-176.5	62.7	0	0	0	0	114.7	Q402 T403	Q402-S406 VanDerWaalsContact O-CB 3.25Å; Q402-S406 WeakPolarHBondContact O-CB 3.46Å; Q402-S406 PolarHBondContact O-N 2.99Å; Q402-S406 PolarHBondContact O-OG 3.09Å; T403-S406 PolarHBondContact O-N 3.09Å
407	Q	90.1	Very high	94.2	Very high	120 Å²	120	50.6 Å²	50.6	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-99	-29.9	179.8	-62.8	-178.2	0.8	0	0	113.3	T403	T403-Q407 WeakPolarHBondContact O-CB 3.34Å; T403-Q407 PolarHBondContact O-N 3.47Å
408	F	91.1	Very high	94	Very high	61 Å²	61	55.3 Å²	55.3	27%	0.268	28%	0.28	S	S	.	.	H	α-helix	trans	-124.1	-6.2	-173.2	-54.7	-85.1	0	0	0	114	A404 Q410 P463 M464	A404-F408 WeakPolarHBondContact O-CB 3.27Å; A404-F408 PolarHBondContact O-N 3.04Å; F408-Q410 HydrophobicContact CB-CB 4.45Å; F408-Q410 HydrophobicContact CB-CG 4.02Å; F408-Q410 WeakPolarHBondContact O-CG 3.35Å; F408-Q410 PolarHBondContact O-N 3.06Å; F408-Q410 PolarHBondContact O-NE2 3.09Å; F408-Q410 VanDerWaalsContact O-NE2 3.12Å; F408-P463 HydrophobicContact CE1-CB 4.19Å; F408-M464 HydrophobicContact CB-CB 4.13Å; F408-M464 HydrophobicContact CB-CG 4.44Å; F408-M464 HydrophobicContact CD1-CB 4.02Å; F408-M464 HydrophobicContact CD2-CB 3.88Å; F408-M464 HydrophobicContact CD2-CG 3.92Å; F408-M464 HydrophobicContact CE1-CB 4.45Å; F408-M464 HydrophobicContact CE2-CB 4.33Å; F408-M464 HydrophobicContact CE2-CG 4.46Å; F408-M464 HydrophobicContact CG-CB 3.72Å; F408-M464 HydrophobicContact CG-CG 4.17Å
409	G	90.1	Very high	93.8	Very high	60 Å²	60	56.1 Å²	56.1	62%	0.619	28%	0.284	S	S	*	.	S	Bend	trans	67.2	9.4	-175.5	0	0	0	0	0	114.6	A404 K405	A404-G409 PolarHBondContact O-N 2.99Å; K405-G409 WeakPolarHBondContact O-CA 3.5Å; K405-G409 PolarHBondContact O-N 3.27Å
410	Q	88.5	Confident	93.5	Very high	56 Å²	56	58.2 Å²	58.2	26%	0.262	30%	0.297	S	S	.	.			trans	-99.5	153.4	-173.5	-58.8	-49.8	-56.6	0	0	112.3	A404 K405 F408 A460 M464	A404-Q410 CarbonylContact C-O 3.41Å; K405-Q410 WeakPolarHBondContact CA-O 3.44Å; K405-Q410 PolarHBondContact N-O 2.97Å; F408-Q410 HydrophobicContact CB-CB 4.45Å; F408-Q410 HydrophobicContact CB-CG 4.02Å; F408-Q410 WeakPolarHBondContact O-CG 3.35Å; F408-Q410 PolarHBondContact O-N 3.06Å; F408-Q410 PolarHBondContact O-NE2 3.09Å; F408-Q410 VanDerWaalsContact O-NE2 3.12Å; Q410-A460 HydrophobicContact CG-CB 4.5Å; Q410-M464 HydrophobicContact CB-CE 3.61Å; Q410-M464 HydrophobicContact CB-SD 3.47Å; Q410-M464 WeakPolarHBondContact CB-SD 3.17Å; Q410-M464 HydrophobicContact CG-CE 3.91Å; Q410-M464 HydrophobicContact CG-SD 4.12Å
411	E	90.8	Very high	93	Very high	105 Å²	105	59.7 Å²	59.7	49%	0.491	31%	0.312	S	S	.	.			trans	-91.1	140.4	172.7	-70.9	-65.5	165.7	0	0	111.7	K405	K405-E411 WeakPolarHBondContact CE-OE1 3.36Å; K405-E411 IonicContact NZ-OE1 3.85Å; K405-E411 PolarHBondContact NZ-OE1 3.48Å
412	L	94.8	Very high	92.7	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.052	31%	0.314	C	S	.	.			trans	-116.8	119	-176.4	-174.1	69	0	0	0	111.6	L400 K401 A404 L414 L452 L465 L468	L400-L412 HydrophobicContact CB-CD2 4.12Å; K401-L412 HydrophobicContact CG-CB 4.43Å; A404-L412 HydrophobicContact CB-CB 3.83Å; A404-L412 HydrophobicContact CB-CD2 4.38Å; L412-L414 HydrophobicContact CD2-CD2 3.84Å; L412-L414 HydrophobicContact CG-CD2 4.04Å; L412-L452 HydrophobicContact CD1-CB 4.34Å; L412-L465 HydrophobicContact CD1-CD2 4.48Å; L412-L468 HydrophobicContact CD1-CD1 3.66Å; L412-L468 HydrophobicContact CD2-CD1 3.72Å; L412-L468 HydrophobicContact CD2-CD2 4.39Å; L412-L468 HydrophobicContact CG-CD1 4.3Å
413	S	95	Very high	92.6	Very high	27 Å²	27	53.7 Å²	53.7	19%	0.189	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.8	173.4	-73.9	0	0	0	0	111	L453	S413-L453 WeakPolarHBondContact CB-O 3.36Å; S413-L453 PolarHBondContact N-O 2.96Å; S413-L453 PolarHBondContact O-N 3.26Å
414	L	96.3	Very high	92.6	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.089	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.5	175.8	-56.6	-177.5	0	0	0	110.2	L397 K401 L412 L416 S425 L450 L452	L397-L414 HydrophobicContact CB-CD1 3.75Å; L397-L414 HydrophobicContact CD2-CD1 4.1Å; L397-L414 HydrophobicContact CG-CD1 4.42Å; L397-L414 WeakPolarHBondContact O-CD1 3.38Å; K401-L414 HydrophobicContact CD-CD1 4.34Å; K401-L414 HydrophobicContact CG-CD1 4.12Å; K401-L414 HydrophobicContact CG-CG 4.38Å; L412-L414 HydrophobicContact CD2-CD2 3.84Å; L412-L414 HydrophobicContact CG-CD2 4.04Å; L414-L416 HydrophobicContact CB-CD1 4.43Å; L414-S425 VanDerWaalsContact O-CB 3.25Å; L414-S425 WeakPolarHBondContact O-CB 2.94Å; L414-L450 HydrophobicContact CB-CD1 4.26Å; L414-L452 HydrophobicContact CD2-CD2 3.43Å; L414-L452 VanDerWaalsContact CD2-CD2 3.43Å
415	V	96.3	Very high	92.4	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	107.9	176.5	-171.1	0	0	0	0	110	L423 L427 L451	V415-L423 HydrophobicContact CG1-CB 4.08Å; V415-L423 HydrophobicContact CG1-CD1 3.86Å; V415-L423 HydrophobicContact CG1-CD2 3.97Å; V415-L423 HydrophobicContact CG1-CG 4.2Å; V415-L427 HydrophobicContact CG2-CD1 4.38Å; V415-L451 HydrophobicContact CB-CB 4.18Å; V415-L451 PolarHBondContact N-O 3.03Å; V415-L451 PolarHBondContact O-N 3.2Å
416	L	96.8	Very high	92	Very high	26 Å²	26	59.9 Å²	59.9	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.5	179.5	-74.1	72.8	0	0	0	109.2	A389 L397 L414 K424 L450	A389-L416 HydrophobicContact CB-CB 3.66Å; A389-L416 HydrophobicContact CB-CD2 4.02Å; A389-L416 HydrophobicContact CB-CG 3.69Å; L397-L416 HydrophobicContact CD1-CD1 4.41Å; L397-L416 HydrophobicContact CD1-CD2 4.28Å; L414-L416 HydrophobicContact CB-CD1 4.43Å; L416-K424 HydrophobicContact CB-CB 4.23Å; L416-K424 PolarHBondContact N-O 3.48Å; L416-K424 PolarHBondContact O-N 3.42Å; L416-L450 HydrophobicContact CD1-CD1 3.74Å; L416-L450 HydrophobicContact CG-CD1 4.03Å
417	V	96.2	Very high	91.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.4	169.5	-165.6	0	0	0	0	107.9	L423 L440 A445 G446 G448 D449	V417-L423 HydrophobicContact CB-CD2 4.37Å; V417-L423 HydrophobicContact CG1-CD2 4.33Å; V417-L423 HydrophobicContact CG2-CD2 3.86Å; V417-L440 HydrophobicContact CG1-CD2 4.22Å; V417-L440 HydrophobicContact CG2-CD2 3.79Å; V417-A445 HydrophobicContact CG2-CB 4.15Å; V417-G446 WeakPolarHBondContact CB-O 3.47Å; V417-G446 WeakPolarHBondContact CG1-O 3.32Å; V417-G448 WeakPolarHBondContact O-CA 3.48Å; V417-G448 PolarHBondContact O-N 2.85Å; V417-D449 PolarHBondContact N-O 3.47Å
418	R	93.5	Very high	91.4	Very high	122 Å²	122	54 Å²	54	46%	0.46	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-76.5	166	179.3	-66	-172.1	-163.5	179.1	1.2	112	D420 G421 S422 K424 P447	R418-D420 WeakPolarHBondContact CB-OD1 3.49Å; R418-D420 IonicContact NH1-OD2 3.23Å; R418-D420 PolarHBondContact O-N 2.93Å; R418-G421 WeakPolarHBondContact O-CA 3.41Å; R418-G421 PolarHBondContact O-N 3.35Å; R418-S422 WeakPolarHBondContact CB-O 3.33Å; R418-S422 WeakPolarHBondContact CD-OG 3.12Å; R418-S422 WeakPolarHBondContact CG-O 3.43Å; R418-S422 PolarHBondContact N-O 3.02Å; R418-K424 HydrophobicContact CG-CB 4.5Å; R418-P447 WeakPolarHBondContact O-CA 3.46Å; R418-P447 WeakPolarHBondContact O-CB 3.48Å
419	E	91.7	Very high	91	Very high	119 Å²	119	60.5 Å²	60.5	56%	0.556	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.6	170.5	-57.9	-75.4	-167.4	0	0	112.9	K390 G421	K390-E419 WeakPolarHBondContact CD-OE1 3.37Å; K390-E419 VanDerWaalsContact CE-OE1 3.26Å; K390-E419 WeakPolarHBondContact CE-OE1 3.23Å; K390-E419 IonicContact NZ-OE1 3.7Å; K390-E419 PolarHBondContact NZ-OE1 3.38Å; K390-E419 IonicContact NZ-OE2 3.84Å; E419-G421 VanDerWaalsContact C-N 3.3Å
420	D	90.2	Very high	90.7	Very high	108 Å²	108	63 Å²	63	58%	0.578	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	6.2	174.3	64.5	23	0	0	0	113.9	R418 S422	R418-D420 WeakPolarHBondContact CB-OD1 3.49Å; R418-D420 IonicContact NH1-OD2 3.23Å; R418-D420 PolarHBondContact O-N 2.93Å; D420-S422 PolarHBondContact O-N 3.05Å; D420-S422 WeakPolarHBondContact OD1-CA 3.29Å; D420-S422 WeakPolarHBondContact OD1-CB 3.43Å; D420-S422 PolarHBondContact OD1-N 3.23Å; D420-S422 PolarHBondContact OD1-OG 3.48Å; D420-S422 PolarHBondContact OD2-OG 3.39Å
421	G	85.6	Confident	90.5	Very high	31 Å²	31	60.7 Å²	60.7	32%	0.32	31%	0.31	S	S	.	.	S	Bend	trans	75.6	-8.4	-175.7	0	0	0	0	0	115.1	R418 E419	R418-G421 WeakPolarHBondContact O-CA 3.41Å; R418-G421 PolarHBondContact O-N 3.35Å; E419-G421 VanDerWaalsContact C-N 3.3Å
422	S	89.8	Confident	90.4	Very high	46 Å²	46	59.3 Å²	59.3	32%	0.322	31%	0.31	S	S	.	.			trans	-78.2	145.3	-178.7	75.7	0	0	0	0	112.6	R418 D420	R418-S422 WeakPolarHBondContact CB-O 3.33Å; R418-S422 WeakPolarHBondContact CD-OG 3.12Å; R418-S422 WeakPolarHBondContact CG-O 3.43Å; R418-S422 PolarHBondContact N-O 3.02Å; D420-S422 PolarHBondContact O-N 3.05Å; D420-S422 WeakPolarHBondContact OD1-CA 3.29Å; D420-S422 WeakPolarHBondContact OD1-CB 3.43Å; D420-S422 PolarHBondContact OD1-N 3.23Å; D420-S422 PolarHBondContact OD1-OG 3.48Å; D420-S422 PolarHBondContact OD2-OG 3.39Å
423	L	93.3	Very high	90	Very high	13 Å²	13	63.3 Å²	63.3	7%	0.068	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.6	178.8	-60	-170.9	0	0	0	112.2	V415 V417 K428 M431 T436 L439 L440	V415-L423 HydrophobicContact CG1-CB 4.08Å; V415-L423 HydrophobicContact CG1-CD1 3.86Å; V415-L423 HydrophobicContact CG1-CD2 3.97Å; V415-L423 HydrophobicContact CG1-CG 4.2Å; V417-L423 HydrophobicContact CB-CD2 4.37Å; V417-L423 HydrophobicContact CG1-CD2 4.33Å; V417-L423 HydrophobicContact CG2-CD2 3.86Å; L423-K428 HydrophobicContact CB-CB 4.14Å; L423-K428 HydrophobicContact CB-CD 4.06Å; L423-K428 HydrophobicContact CB-CG 3.96Å; L423-K428 HydrophobicContact CD1-CD 4.32Å; L423-M431 HydrophobicContact CD1-CE 3.81Å; L423-T436 HydrophobicContact CD1-CG2 3.58Å; L423-T436 HydrophobicContact CG-CG2 3.89Å; L423-L439 HydrophobicContact CD1-CD2 4.36Å; L423-L440 HydrophobicContact CD2-CD1 4.39Å; L423-L440 HydrophobicContact CD2-CD2 3.96Å; L423-L440 HydrophobicContact CD2-CG 4.38Å
424	K	93.4	Very high	89.7	Confident	123 Å²	123	65.1 Å²	65.1	54%	0.535	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	98.1	168.6	179.9	-173.9	174.2	-171.8	0	109.5	L416 R418	L416-K424 HydrophobicContact CB-CB 4.23Å; L416-K424 PolarHBondContact N-O 3.48Å; L416-K424 PolarHBondContact O-N 3.42Å; R418-K424 HydrophobicContact CG-CB 4.5Å
425	S	90.6	Very high	89.5	Confident	22 Å²	22	65.2 Å²	65.2	15%	0.154	35%	0.348	C	S	.	.	S	Bend	trans	-154.7	163.4	171.3	69.4	0	0	0	0	111.6	L414 L427 K428	L414-S425 VanDerWaalsContact O-CB 3.25Å; L414-S425 WeakPolarHBondContact O-CB 2.94Å; S425-L427 VanDerWaalsContact C-N 3.26Å; S425-L427 PolarHBondContact O-N 2.65Å; S425-L427 PolarHBondContact OG-N 3.08Å; S425-K428 PolarHBondContact O-N 2.67Å; S425-K428 PolarHBondContact OG-N 2.71Å
426	P	85.3	Confident	89.2	Confident	110 Å²	110	65.9 Å²	65.9	71%	0.714	35%	0.352	S	S	*	.	S	Bend	trans	-58.6	-40	166.5	-22.6	34.3	0	0	0	111.9	K428 K429	P426-K428 VanDerWaalsContact C-N 3.29Å; P426-K428 PolarHBondContact O-N 3.12Å; P426-K429 PolarHBondContact O-N 2.94Å
427	L	84.1	Confident	88.9	Confident	15 Å²	15	70.3 Å²	70.3	8%	0.079	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-61.6	-31	-179.6	-61.1	178.4	0	0	0	113.1	I366 V415 S425 K429 L430 M431 L453	I366-L427 HydrophobicContact CD1-CD2 4.33Å; I366-L427 HydrophobicContact CG2-CD2 4.27Å; V415-L427 HydrophobicContact CG2-CD1 4.38Å; S425-L427 VanDerWaalsContact C-N 3.26Å; S425-L427 PolarHBondContact O-N 2.65Å; S425-L427 PolarHBondContact OG-N 3.08Å; L427-K429 PolarHBondContact O-N 2.72Å; L427-K429 VanDerWaalsContact O-N 3.11Å; L427-L430 CarbonylContact O-C 3.48Å; L427-L430 WeakPolarHBondContact O-CA 3.34Å; L427-L430 WeakPolarHBondContact O-CB 3.41Å; L427-L430 PolarHBondContact O-N 3.29Å; L427-M431 HydrophobicContact CB-CE 4.13Å; L427-M431 HydrophobicContact CB-SD 4.32Å; L427-M431 WeakPolarHBondContact O-CG 3.08Å; L427-M431 PolarHBondContact O-N 2.89Å; L427-L453 HydrophobicContact CD1-CD1 4.49Å; L427-L453 HydrophobicContact CD1-CD2 4.39Å
428	K	85.8	Confident	88.8	Confident	62 Å²	62	72.5 Å²	72.5	27%	0.27	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-62.4	-24.1	-175.1	-179.9	55.3	-167.5	156.9	0	113.7	L423 S425 P426 L430 M431 T436	L423-K428 HydrophobicContact CB-CB 4.14Å; L423-K428 HydrophobicContact CB-CD 4.06Å; L423-K428 HydrophobicContact CB-CG 3.96Å; L423-K428 HydrophobicContact CD1-CD 4.32Å; S425-K428 PolarHBondContact O-N 2.67Å; S425-K428 PolarHBondContact OG-N 2.71Å; P426-K428 VanDerWaalsContact C-N 3.29Å; P426-K428 PolarHBondContact O-N 3.12Å; K428-L430 PolarHBondContact O-N 2.73Å; K428-M431 HydrophobicContact CB-CE 4.32Å; K428-M431 HydrophobicContact CD-CE 4.37Å; K428-M431 PolarHBondContact NZ-O 2.84Å; K428-M431 VanDerWaalsContact NZ-O 3.16Å; K428-T436 PolarHBondContact NZ-OG1 3.2Å
429	K	82.9	Confident	88.9	Confident	197 Å²	197	66.7 Å²	66.7	86%	0.857	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-67.5	-17.8	171.6	-69.8	-172.6	176.2	-175.5	0	113.7	P426 L427	P426-K429 PolarHBondContact O-N 2.94Å; L427-K429 PolarHBondContact O-N 2.72Å; L427-K429 VanDerWaalsContact O-N 3.11Å
430	L	84	Confident	89	Confident	111 Å²	111	62.8 Å²	62.8	58%	0.581	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-113.3	-2.3	-174.6	-51.5	176.8	0	0	0	112.7	I366 L427 K428	I366-L430 HydrophobicContact CD1-CB 3.71Å; I366-L430 HydrophobicContact CD1-CD1 4.43Å; I366-L430 HydrophobicContact CG1-CB 3.73Å; I366-L430 HydrophobicContact CG1-CD1 4.08Å; I366-L430 HydrophobicContact CG2-CD1 4.47Å; L427-L430 CarbonylContact O-C 3.48Å; L427-L430 WeakPolarHBondContact O-CA 3.34Å; L427-L430 WeakPolarHBondContact O-CB 3.41Å; L427-L430 PolarHBondContact O-N 3.29Å; K428-L430 PolarHBondContact O-N 2.73Å
431	M	85.1	Confident	89.3	Confident	9 Å²	9	65.7 Å²	65.7	4%	0.044	35%	0.348	C	S	.	.			trans	-106.4	119.7	-178.3	-67.5	-171.4	-56.4	0	0	111.7	F361 I366 L423 L427 K428 V435 L439	F361-M431 HydrophobicContact CE1-CG 4.25Å; F361-M431 HydrophobicContact CE1-SD 3.74Å; F361-M431 HydrophobicContact CZ-SD 3.87Å; I366-M431 HydrophobicContact CD1-CG 4.18Å; L423-M431 HydrophobicContact CD1-CE 3.81Å; L427-M431 HydrophobicContact CB-CE 4.13Å; L427-M431 HydrophobicContact CB-SD 4.32Å; L427-M431 WeakPolarHBondContact O-CG 3.08Å; L427-M431 PolarHBondContact O-N 2.89Å; K428-M431 HydrophobicContact CB-CE 4.32Å; K428-M431 HydrophobicContact CD-CE 4.37Å; K428-M431 PolarHBondContact NZ-O 2.84Å; K428-M431 VanDerWaalsContact NZ-O 3.16Å; M431-V435 HydrophobicContact CB-CG1 4.23Å; M431-V435 HydrophobicContact CG-CG1 4.21Å; M431-V435 HydrophobicContact SD-CG1 4.35Å; M431-L439 HydrophobicContact CE-CD2 4.29Å; M431-L439 HydrophobicContact SD-CD2 4.25Å
432	P	87.3	Confident	89.7	Confident	75 Å²	75	67.8 Å²	67.8	49%	0.487	35%	0.348	S	S	.	.			trans	-52.3	167.9	167.9	-27.9	35.8	0	0	0	113.9	V435 T436	P432-V435 HydrophobicContact CB-CB 4.41Å; P432-V435 HydrophobicContact CB-CG2 4.18Å; P432-V435 HydrophobicContact CG-CG2 4.11Å; P432-T436 PolarHBondContact O-N 2.92Å; P432-T436 VanDerWaalsContact O-N 3.12Å; P432-T436 PolarHBondContact O-OG1 2.95Å
433	V	87.6	Confident	90	Very high	95 Å²	95	65.9 Å²	65.9	58%	0.576	34%	0.335	S	S	*	.	H	α-helix	trans	-64.5	-49.2	177.7	-179.2	0	0	0	0	110.8	V435 T436 E437	V433-V435 PolarHBondContact O-N 2.82Å; V433-T436 WeakPolarHBondContact O-CA 3.27Å; V433-T436 VanDerWaalsContact O-CB 3.23Å; V433-T436 WeakPolarHBondContact O-CB 3.35Å; V433-T436 PolarHBondContact O-N 2.64Å; V433-E437 HydrophobicContact CG1-CG 4.41Å; V433-E437 WeakPolarHBondContact CG1-OE1 3.25Å; V433-E437 WeakPolarHBondContact O-CG 3.43Å; V433-E437 PolarHBondContact O-N 3.19Å
434	S	89	Confident	90.2	Very high	64 Å²	64	72.3 Å²	72.3	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-53.7	-53	175.3	48.7	0	0	0	0	112.6	T436 E437 D438	S434-T436 PolarHBondContact O-N 2.93Å; S434-T436 VanDerWaalsContact O-N 3.1Å; S434-E437 PolarHBondContact O-N 3Å; S434-D438 WeakPolarHBondContact O-CB 3.2Å; S434-D438 VanDerWaalsContact O-CG 3.31Å; S434-D438 PolarHBondContact O-N 3.45Å
435	V	90.3	Very high	90.3	Very high	19 Å²	19	67 Å²	67	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-56.3	-30.2	176.3	176.7	0	0	0	0	112.4	V360 F361 M431 P432 V433 L439	V360-V435 HydrophobicContact CG1-CG1 4.08Å; F361-V435 HydrophobicContact CD1-CG1 4.14Å; F361-V435 HydrophobicContact CE1-CG1 3.74Å; F361-V435 HydrophobicContact CZ-CG1 4.48Å; M431-V435 HydrophobicContact CB-CG1 4.23Å; M431-V435 HydrophobicContact CG-CG1 4.21Å; M431-V435 HydrophobicContact SD-CG1 4.35Å; P432-V435 HydrophobicContact CB-CB 4.41Å; P432-V435 HydrophobicContact CB-CG2 4.18Å; P432-V435 HydrophobicContact CG-CG2 4.11Å; V433-V435 PolarHBondContact O-N 2.82Å; V435-L439 WeakPolarHBondContact O-CB 3.44Å; V435-L439 PolarHBondContact O-N 2.95Å; V435-L439 VanDerWaalsContact O-N 3.11Å
436	T	90.6	Very high	90.5	Very high	15 Å²	15	67 Å²	67	9%	0.092	35%	0.347	C	S	.	.	H	α-helix	trans	-74.7	-43.1	175.5	-59.2	0	0	0	0	112.2	L423 K428 P432 V433 S434 L440	L423-T436 HydrophobicContact CD1-CG2 3.58Å; L423-T436 HydrophobicContact CG-CG2 3.89Å; K428-T436 PolarHBondContact NZ-OG1 3.2Å; P432-T436 PolarHBondContact O-N 2.92Å; P432-T436 VanDerWaalsContact O-N 3.12Å; P432-T436 PolarHBondContact O-OG1 2.95Å; V433-T436 WeakPolarHBondContact O-CA 3.27Å; V433-T436 VanDerWaalsContact O-CB 3.23Å; V433-T436 WeakPolarHBondContact O-CB 3.35Å; V433-T436 PolarHBondContact O-N 2.64Å; S434-T436 PolarHBondContact O-N 2.93Å; S434-T436 VanDerWaalsContact O-N 3.1Å; T436-L440 HydrophobicContact CG2-CD1 4.32Å; T436-L440 WeakPolarHBondContact O-CB 3.49Å; T436-L440 WeakPolarHBondContact O-CG 3.48Å; T436-L440 PolarHBondContact O-N 3.12Å
437	E	91.4	Very high	91.1	Very high	118 Å²	118	65.4 Å²	65.4	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-69	-42.4	178.2	-68.2	167.8	170.2	0	0	111.3	V433 S434 L440 R441	V433-E437 HydrophobicContact CG1-CG 4.41Å; V433-E437 WeakPolarHBondContact CG1-OE1 3.25Å; V433-E437 WeakPolarHBondContact O-CG 3.43Å; V433-E437 PolarHBondContact O-N 3.19Å; S434-E437 PolarHBondContact O-N 3Å; E437-L440 PolarHBondContact O-N 2.79Å; E437-R441 WeakPolarHBondContact O-CB 3.24Å; E437-R441 PolarHBondContact O-N 3.07Å
438	D	93.6	Very high	91.7	Very high	48 Å²	48	64.9 Å²	64.9	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-41.9	174.6	-68.6	-39.4	0	0	0	111.6	V360 S434 R441 K442	V360-D438 HydrophobicContact CG1-CB 4.01Å; V360-D438 HydrophobicContact CG2-CB 4.28Å; S434-D438 WeakPolarHBondContact O-CB 3.2Å; S434-D438 VanDerWaalsContact O-CG 3.31Å; S434-D438 PolarHBondContact O-N 3.45Å; D438-R441 IonicContact OD1-CZ 2.74Å; D438-R441 IonicContact OD1-NH1 3.79Å; D438-R441 PolarHBondContact OD1-NH1 3.18Å; D438-R441 IonicContact OD1-NH2 2.72Å; D438-R441 PolarHBondContact OD1-NH2 3.11Å; D438-K442 VanDerWaalsContact O-CB 3.24Å; D438-K442 WeakPolarHBondContact O-CB 3.25Å; D438-K442 PolarHBondContact O-N 2.64Å
439	L	94.4	Very high	92.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-49.8	174.6	176.5	63.9	0	0	0	111.8	I357 V360 F361 L423 M431 V435 K442 T443 L451	I357-L439 HydrophobicContact CD1-CD1 3.64Å; V360-L439 HydrophobicContact CG1-CB 4.14Å; F361-L439 HydrophobicContact CE2-CD1 4.46Å; L423-L439 HydrophobicContact CD1-CD2 4.36Å; M431-L439 HydrophobicContact CE-CD2 4.29Å; M431-L439 HydrophobicContact SD-CD2 4.25Å; V435-L439 WeakPolarHBondContact O-CB 3.44Å; V435-L439 PolarHBondContact O-N 2.95Å; V435-L439 VanDerWaalsContact O-N 3.11Å; L439-K442 PolarHBondContact O-N 3.2Å; L439-T443 HydrophobicContact CD1-CG2 4.04Å; L439-T443 WeakPolarHBondContact O-CB 3.42Å; L439-T443 WeakPolarHBondContact O-CG2 3.14Å; L439-T443 PolarHBondContact O-N 3.46Å; L439-T443 PolarHBondContact O-OG1 3.33Å; L439-L451 HydrophobicContact CD1-CD1 4.2Å; L439-L451 HydrophobicContact CD2-CD1 4.17Å; L439-L451 HydrophobicContact CG-CD1 4.02Å
440	L	94.9	Very high	93	Very high	37 Å²	37	53 Å²	53	19%	0.194	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-44.4	178.9	-75	173.9	0	0	0	111.4	V417 L423 T436 E437 E444 A445	V417-L440 HydrophobicContact CG1-CD2 4.22Å; V417-L440 HydrophobicContact CG2-CD2 3.79Å; L423-L440 HydrophobicContact CD2-CD1 4.39Å; L423-L440 HydrophobicContact CD2-CD2 3.96Å; L423-L440 HydrophobicContact CD2-CG 4.38Å; T436-L440 HydrophobicContact CG2-CD1 4.32Å; T436-L440 WeakPolarHBondContact O-CB 3.49Å; T436-L440 WeakPolarHBondContact O-CG 3.48Å; T436-L440 PolarHBondContact O-N 3.12Å; E437-L440 PolarHBondContact O-N 2.79Å; L440-E444 WeakPolarHBondContact O-CA 3.24Å; L440-E444 PolarHBondContact O-N 3.32Å; L440-A445 HydrophobicContact CD2-CB 3.96Å; L440-A445 PolarHBondContact O-N 3.14Å
441	R	95.4	Very high	93.6	Very high	170 Å²	170	47.8 Å²	47.8	64%	0.642	26%	0.256	S	S	*	.	H	α-helix	trans	-60.7	-46.7	176.5	-173.4	-178.8	71	-117.8	-7.8	111.7	E437 D438 E444	E437-R441 WeakPolarHBondContact O-CB 3.24Å; E437-R441 PolarHBondContact O-N 3.07Å; D438-R441 IonicContact OD1-CZ 2.74Å; D438-R441 IonicContact OD1-NH1 3.79Å; D438-R441 PolarHBondContact OD1-NH1 3.18Å; D438-R441 IonicContact OD1-NH2 2.72Å; D438-R441 PolarHBondContact OD1-NH2 3.11Å; R441-E444 PolarHBondContact O-N 2.67Å
442	K	95.8	Very high	94.2	Very high	75 Å²	75	47.3 Å²	47.3	33%	0.326	25%	0.254	S	S	.	.	H	α-helix	trans	-75.5	-28.3	-175.3	-167.6	167.6	-175.6	-174	0	113.6	T355 D356 I357 D359 V360 D438 L439	T355-K442 HydrophobicContact CG2-CG 4.29Å; T355-K442 WeakPolarHBondContact CG2-O 3.09Å; D356-K442 WeakPolarHBondContact O-CE 3.47Å; D356-K442 PolarHBondContact O-NZ 3.43Å; I357-K442 HydrophobicContact CG2-CD 4.22Å; I357-K442 HydrophobicContact CG2-CG 4.29Å; D359-K442 IonicContact OD1-NZ 3.09Å; D359-K442 PolarHBondContact OD1-NZ 3.43Å; D359-K442 IonicContact OD2-NZ 2.78Å; D359-K442 PolarHBondContact OD2-NZ 3.02Å; V360-K442 HydrophobicContact CG2-CB 4.47Å; V360-K442 HydrophobicContact CG2-CD 4.04Å; D438-K442 VanDerWaalsContact O-CB 3.24Å; D438-K442 WeakPolarHBondContact O-CB 3.25Å; D438-K442 PolarHBondContact O-N 2.64Å; L439-K442 PolarHBondContact O-N 3.2Å
443	T	95.8	Very high	94.7	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-91.7	-3	174.9	58	0	0	0	0	113.9	I357 A382 R384 L439 A445 L451	I357-T443 HydrophobicContact CG2-CG2 3.98Å; A382-T443 HydrophobicContact CB-CG2 4.37Å; R384-T443 VanDerWaalsContact CD-O 3.27Å; R384-T443 WeakPolarHBondContact CD-O 3.5Å; L439-T443 HydrophobicContact CD1-CG2 4.04Å; L439-T443 WeakPolarHBondContact O-CB 3.42Å; L439-T443 WeakPolarHBondContact O-CG2 3.14Å; L439-T443 PolarHBondContact O-N 3.46Å; L439-T443 PolarHBondContact O-OG1 3.33Å; T443-A445 PolarHBondContact O-N 3.23Å; T443-A445 VanDerWaalsContact O-N 3.13Å; T443-L451 HydrophobicContact CG2-CD1 4.27Å; T443-L451 HydrophobicContact CG2-CD2 4.02Å
444	E	96.1	Very high	95.1	Very high	147 Å²	147	39.2 Å²	39.2	69%	0.687	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	22.7	-172.6	-56	-177	170.2	0	0	114.4	R384 L440 R441	R384-E444 PolarHBondContact NE-O 3.35Å; R384-E444 PolarHBondContact NH1-O 3.45Å; R384-E444 PolarHBondContact NH2-O 3.29Å; L440-E444 WeakPolarHBondContact O-CA 3.24Å; L440-E444 PolarHBondContact O-N 3.32Å; R441-E444 PolarHBondContact O-N 2.67Å
445	A	96.3	Very high	95.3	Very high	13 Å²	13	36.5 Å²	36.5	11%	0.107	18%	0.184	C	C	.	.			trans	-76.4	131	-172.3	0	0	0	0	0	112.4	R384 V417 L440 T443 D449 L451	R384-A445 HydrophobicContact CG-CB 4.42Å; V417-A445 HydrophobicContact CG2-CB 4.15Å; L440-A445 HydrophobicContact CD2-CB 3.96Å; L440-A445 PolarHBondContact O-N 3.14Å; T443-A445 PolarHBondContact O-N 3.23Å; T443-A445 VanDerWaalsContact O-N 3.13Å; A445-D449 HydrophobicContact CB-CB 4.41Å; A445-L451 HydrophobicContact CB-CD1 4.45Å; A445-L451 HydrophobicContact CB-CD2 3.85Å; A445-L451 HydrophobicContact CB-CG 4.23Å
446	G	95.8	Very high	95.5	Very high	21 Å²	21	36 Å²	36	22%	0.216	18%	0.183	C	C	.	.			trans	-109	175.2	179.1	0	0	0	0	0	113.4	V417 G448 D449	V417-G446 WeakPolarHBondContact CB-O 3.47Å; V417-G446 WeakPolarHBondContact CG1-O 3.32Å; G446-G448 PolarHBondContact O-N 3.34Å; G446-D449 PolarHBondContact N-OD2 3.26Å; G446-D449 VanDerWaalsContact O-CB 3.31Å; G446-D449 WeakPolarHBondContact O-CB 3.18Å; G446-D449 PolarHBondContact O-N 3.08Å; G446-D449 VanDerWaalsContact O-N 3.1Å
447	P	96.9	Very high	95.6	Very high	77 Å²	77	37 Å²	37	50%	0.5	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130	172.6	-26.4	35.7	0	0	0	112.5	R418	R418-P447 WeakPolarHBondContact O-CA 3.46Å; R418-P447 WeakPolarHBondContact O-CB 3.48Å
448	G	96.1	Very high	95.6	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-9.5	-177	0	0	0	0	0	115.3	S387 G388 A389 K390 V417 G446	S387-G448 CarbonylContact C-O 3.6Å; S387-G448 VanDerWaalsContact CA-O 3.28Å; S387-G448 WeakPolarHBondContact CA-O 3.36Å; G388-G448 PolarHBondContact N-O 3.35Å; A389-G448 WeakPolarHBondContact CB-O 3.38Å; A389-G448 PolarHBondContact N-O 2.88Å; K390-G448 PolarHBondContact N-O 3.17Å; V417-G448 WeakPolarHBondContact O-CA 3.48Å; V417-G448 PolarHBondContact O-N 2.85Å; G446-G448 PolarHBondContact O-N 3.34Å
449	D	97.9	Very high	95.4	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.053	20%	0.197	C	C	.	.			trans	-82.2	154.6	179.1	-66.1	-21.1	0	0	0	113.1	R384 P386 S387 A389 V417 A445 G446	R384-D449 IonicContact CZ-OD2 2.71Å; R384-D449 IonicContact NE-OD2 3.18Å; R384-D449 PolarHBondContact NE-OD2 3.03Å; R384-D449 IonicContact NH2-OD2 3.75Å; R384-D449 PolarHBondContact NH2-OD2 3.01Å; P386-D449 VanDerWaalsContact CA-OD1 3.24Å; P386-D449 WeakPolarHBondContact CA-OD1 3.42Å; S387-D449 PolarHBondContact N-OD1 3.18Å; A389-D449 WeakPolarHBondContact CB-O 3.45Å; V417-D449 PolarHBondContact N-O 3.47Å; A445-D449 HydrophobicContact CB-CB 4.41Å; G446-D449 PolarHBondContact N-OD2 3.26Å; G446-D449 VanDerWaalsContact O-CB 3.31Å; G446-D449 WeakPolarHBondContact O-CB 3.18Å; G446-D449 PolarHBondContact O-N 3.08Å; G446-D449 VanDerWaalsContact O-N 3.1Å
450	L	97.9	Very high	95.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.7	171.8	169.5	66.6	0	0	0	109.7	V385 A389 F392 L397 L414 L416 L452	V385-L450 HydrophobicContact CB-CB 4.27Å; V385-L450 PolarHBondContact N-O 3.07Å; V385-L450 PolarHBondContact O-N 3.23Å; V385-L450 VanDerWaalsContact O-N 3.08Å; A389-L450 HydrophobicContact CB-CB 4.4Å; F392-L450 HydrophobicContact CD2-CD2 3.62Å; F392-L450 HydrophobicContact CE2-CD2 3.95Å; L397-L450 HydrophobicContact CD2-CD1 4.32Å; L397-L450 HydrophobicContact CD2-CD2 3.59Å; L414-L450 HydrophobicContact CB-CD1 4.26Å; L416-L450 HydrophobicContact CD1-CD1 3.74Å; L416-L450 HydrophobicContact CG-CD1 4.03Å; L450-L452 HydrophobicContact CD1-CD2 4.45Å; L450-L452 HydrophobicContact CD2-CD2 3.71Å; L450-L452 HydrophobicContact CG-CD2 3.9Å
451	L	98.2	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.9	164.2	-61	177.7	0	0	0	110.1	I383 R384 V415 L439 T443 A445	I383-L451 WeakPolarHBondContact O-CA 3.25Å; R384-L451 HydrophobicContact CB-CD2 4.05Å; V415-L451 HydrophobicContact CB-CB 4.18Å; V415-L451 PolarHBondContact N-O 3.03Å; V415-L451 PolarHBondContact O-N 3.2Å; L439-L451 HydrophobicContact CD1-CD1 4.2Å; L439-L451 HydrophobicContact CD2-CD1 4.17Å; L439-L451 HydrophobicContact CG-CD1 4.02Å; T443-L451 HydrophobicContact CG2-CD1 4.27Å; T443-L451 HydrophobicContact CG2-CD2 4.02Å; A445-L451 HydrophobicContact CB-CD1 4.45Å; A445-L451 HydrophobicContact CB-CD2 3.85Å; A445-L451 HydrophobicContact CB-CG 4.23Å
452	L	97.8	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.3	164.2	-49.3	-176.8	0	0	0	107	A382 I383 V385 L400 L412 L414 L450 L468	A382-L452 CarbonylContact C-O 3.51Å; A382-L452 WeakPolarHBondContact CA-O 3.43Å; A382-L452 VanDerWaalsContact CB-O 3.31Å; A382-L452 WeakPolarHBondContact CB-O 3.46Å; I383-L452 HydrophobicContact CB-CB 4.45Å; I383-L452 PolarHBondContact N-O 3.4Å; I383-L452 PolarHBondContact O-N 2.96Å; V385-L452 HydrophobicContact CG2-CD1 3.9Å; V385-L452 HydrophobicContact CG2-CG 3.89Å; L400-L452 HydrophobicContact CD1-CD2 4.11Å; L412-L452 HydrophobicContact CD1-CB 4.34Å; L414-L452 HydrophobicContact CD2-CD2 3.43Å; L414-L452 VanDerWaalsContact CD2-CD2 3.43Å; L450-L452 HydrophobicContact CD1-CD2 4.45Å; L450-L452 HydrophobicContact CD2-CD2 3.71Å; L450-L452 HydrophobicContact CG-CD2 3.9Å; L452-L468 HydrophobicContact CD1-CB 4.14Å
453	L	96.5	Very high	95.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.1	-174.9	-176	157.7	0	0	0	110.7	I357 F361 L369 V380 A382 S413 L427	I357-L453 HydrophobicContact CD1-CD1 3.68Å; I357-L453 HydrophobicContact CD1-CG 4.14Å; F361-L453 HydrophobicContact CE2-CD1 4.02Å; F361-L453 HydrophobicContact CZ-CD1 4.24Å; L369-L453 HydrophobicContact CD2-CD2 4.07Å; V380-L453 HydrophobicContact CG1-CD1 4.39Å; V380-L453 HydrophobicContact CG1-CD2 3.89Å; V380-L453 HydrophobicContact CG1-CG 4.12Å; A382-L453 HydrophobicContact CB-CB 4.32Å; S413-L453 WeakPolarHBondContact CB-O 3.36Å; S413-L453 PolarHBondContact N-O 2.96Å; S413-L453 PolarHBondContact O-N 3.26Å; L427-L453 HydrophobicContact CD1-CD1 4.49Å; L427-L453 HydrophobicContact CD1-CD2 4.39Å
454	A	95.6	Very high	95.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.1	177	0	0	0	0	0	111	V380 Q381 V461 M464 L465	V380-A454 WeakPolarHBondContact CA-O 3.41Å; Q381-A454 PolarHBondContact N-O 2.99Å; Q381-A454 PolarHBondContact O-N 3.29Å; Q381-A454 VanDerWaalsContact O-O 3.13Å; A454-V461 HydrophobicContact CB-CG1 4.09Å; A454-M464 HydrophobicContact CB-CE 3.38Å; A454-L465 HydrophobicContact CB-CD1 4.32Å; A454-L465 HydrophobicContact CB-CD2 4.08Å; A454-L465 HydrophobicContact CB-CG 4.21Å
455	A	94.8	Very high	95.2	Very high	6 Å²	6	22.9 Å²	22.9	5%	0.05	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.6	176.1	0	0	0	0	0	110.8	F368 L369 A372 S379 V380	F368-A455 HydrophobicContact CE1-CB 3.87Å; F368-A455 HydrophobicContact CE2-CB 4.34Å; F368-A455 HydrophobicContact CZ-CB 3.73Å; L369-A455 HydrophobicContact CD2-CB 3.66Å; A372-A455 HydrophobicContact CB-CB 3.63Å; S379-A455 VanDerWaalsContact O-CA 3.31Å; S379-A455 WeakPolarHBondContact O-CA 3.32Å; V380-A455 HydrophobicContact CB-CB 4.37Å; V380-A455 HydrophobicContact CG1-CB 4.27Å; V380-A455 HydrophobicContact CG2-CB 3.9Å
456	G	93.9	Very high	95.3	Very high	8 Å²	8	22.5 Å²	22.5	8%	0.082	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-161.8	-175.5	0	0	0	0	0	110.3	G378 S379	G378-G456 WeakPolarHBondContact CA-O 3.31Å; S379-G456 PolarHBondContact N-O 2.88Å; S379-G456 PolarHBondContact O-N 2.67Å; S379-G456 VanDerWaalsContact O-N 3.09Å
457	S	91.9	Very high	95.3	Very high	38 Å²	38	23.2 Å²	23.2	27%	0.266	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.5	171.2	64.7	0	0	0	0	111.4	E377 H459 A460 V461	E377-S457 WeakPolarHBondContact O-CA 3.13Å; S457-H459 PolarHBondContact O-N 2.65Å; S457-A460 PolarHBondContact O-N 2.69Å; S457-V461 WeakPolarHBondContact O-CG2 3.33Å; S457-V461 PolarHBondContact O-N 3.5Å
458	L	92.3	Very high	95.4	Very high	37 Å²	37	19.5 Å²	19.5	19%	0.194	11%	0.112	C	C	.	.	H	α-helix	trans	-54.1	-36.4	178	-73.4	173.1	0	0	0	112.8	E377 S379 A460 V461 R462	E377-L458 PolarHBondContact O-N 3.45Å; S379-L458 VanDerWaalsContact CB-CD2 3.49Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 2.82Å; L458-V461 PolarHBondContact O-N 3.49Å; L458-R462 HydrophobicContact CD2-CG 4.46Å; L458-R462 VanDerWaalsContact O-CB 3.27Å; L458-R462 WeakPolarHBondContact O-CB 3.46Å; L458-R462 WeakPolarHBondContact O-CG 3.48Å; L458-R462 PolarHBondContact O-N 2.9Å
459	H	88	Confident	95.5	Very high	159 Å²	159	19.4 Å²	19.4	74%	0.736	11%	0.111	S	C	*	.	H	α-helix	trans	-63.3	-31.6	177	-167.3	-74.8	0	0	0	113.5	S457 P463	S457-H459 PolarHBondContact O-N 2.65Å; H459-P463 WeakPolarHBondContact O-CD 3.34Å; H459-P463 VanDerWaalsContact O-CG 3.3Å; H459-P463 WeakPolarHBondContact O-CG 3.38Å
460	A	90	Very high	95.4	Very high	25 Å²	25	21.6 Å²	21.6	21%	0.207	12%	0.122	C	C	.	.	H	α-helix	trans	-88.3	-38.8	175.8	0	0	0	0	0	112.3	Q410 S457 L458	Q410-A460 HydrophobicContact CG-CB 4.5Å; S457-A460 PolarHBondContact O-N 2.69Å; L458-A460 VanDerWaalsContact C-N 3.32Å; L458-A460 PolarHBondContact O-N 2.82Å
461	V	94.5	Very high	95.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-73.7	-46	-174.5	172.6	0	0	0	0	112.2	Q381 A454 S457 L458 L465	Q381-V461 HydrophobicContact CB-CG1 3.79Å; Q381-V461 HydrophobicContact CG-CG1 3.95Å; A454-V461 HydrophobicContact CB-CG1 4.09Å; S457-V461 WeakPolarHBondContact O-CG2 3.33Å; S457-V461 PolarHBondContact O-N 3.5Å; L458-V461 PolarHBondContact O-N 3.49Å; V461-L465 HydrophobicContact CG1-CD1 3.71Å; V461-L465 HydrophobicContact CG1-CG 4.27Å; V461-L465 WeakPolarHBondContact O-CB 3.45Å; V461-L465 WeakPolarHBondContact O-CG 3.43Å; V461-L465 PolarHBondContact O-N 2.8Å
462	R	95.8	Very high	95.4	Very high	36 Å²	36	23.8 Å²	23.8	14%	0.136	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-53.2	-175.9	-73.7	176.7	178.3	-164.5	4.3	112.1	D335 M338 G342 L354 L458 M464 L465 G466	D335-R462 IonicContact OD1-CZ 2.65Å; D335-R462 IonicContact OD1-NH1 3.15Å; D335-R462 PolarHBondContact OD1-NH1 3.37Å; D335-R462 IonicContact OD1-NH2 3.12Å; M338-R462 WeakPolarHBondContact O-CD 3.36Å; G342-R462 VanDerWaalsContact CA-O 3.24Å; G342-R462 WeakPolarHBondContact CA-O 3.24Å; L354-R462 HydrophobicContact CD2-CB 4.44Å; L354-R462 HydrophobicContact CD2-CG 4.36Å; L458-R462 HydrophobicContact CD2-CG 4.46Å; L458-R462 VanDerWaalsContact O-CB 3.27Å; L458-R462 WeakPolarHBondContact O-CB 3.46Å; L458-R462 WeakPolarHBondContact O-CG 3.48Å; L458-R462 PolarHBondContact O-N 2.9Å; R462-M464 PolarHBondContact O-N 3.04Å; R462-L465 PolarHBondContact O-N 3.14Å; R462-G466 PolarHBondContact O-N 3.45Å
463	P	95.4	Very high	95.3	Very high	46 Å²	46	23.8 Å²	23.8	30%	0.299	13%	0.132	S	C	.	.	H	α-helix	trans	-65.7	-38	-177.9	-22.5	36.1	0	0	0	113.8	M338 G342 F408 H459 G466 S467	M338-P463 HydrophobicContact CE-CG 4.49Å; G342-P463 WeakPolarHBondContact O-CA 3.11Å; F408-P463 HydrophobicContact CE1-CB 4.19Å; H459-P463 WeakPolarHBondContact O-CD 3.34Å; H459-P463 VanDerWaalsContact O-CG 3.3Å; H459-P463 WeakPolarHBondContact O-CG 3.38Å; P463-G466 PolarHBondContact O-N 3.05Å; P463-S467 PolarHBondContact O-N 2.96Å
464	M	96.3	Very high	95.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-52.8	174	171.2	-177.8	44.7	0	0	110.8	A404 F408 Q410 A454 R462 G466 S467 L468	A404-M464 HydrophobicContact CB-CG 4.28Å; A404-M464 HydrophobicContact CB-SD 3.56Å; A404-M464 VanDerWaalsContact CB-SD 3.56Å; F408-M464 HydrophobicContact CB-CB 4.13Å; F408-M464 HydrophobicContact CB-CG 4.44Å; F408-M464 HydrophobicContact CD1-CB 4.02Å; F408-M464 HydrophobicContact CD2-CB 3.88Å; F408-M464 HydrophobicContact CD2-CG 3.92Å; F408-M464 HydrophobicContact CE1-CB 4.45Å; F408-M464 HydrophobicContact CE2-CB 4.33Å; F408-M464 HydrophobicContact CE2-CG 4.46Å; F408-M464 HydrophobicContact CG-CB 3.72Å; F408-M464 HydrophobicContact CG-CG 4.17Å; Q410-M464 HydrophobicContact CB-CE 3.61Å; Q410-M464 HydrophobicContact CB-SD 3.47Å; Q410-M464 WeakPolarHBondContact CB-SD 3.17Å; Q410-M464 HydrophobicContact CG-CE 3.91Å; Q410-M464 HydrophobicContact CG-SD 4.12Å; A454-M464 HydrophobicContact CB-CE 3.38Å; R462-M464 PolarHBondContact O-N 3.04Å; M464-G466 VanDerWaalsContact C-N 3.32Å; M464-G466 PolarHBondContact O-N 3.5Å; M464-S467 PolarHBondContact O-N 3.46Å; M464-L468 HydrophobicContact CG-CD1 3.69Å; M464-L468 HydrophobicContact CG-CG 4.31Å; M464-L468 VanDerWaalsContact O-CG 3.3Å; M464-L468 WeakPolarHBondContact O-CG 3.48Å; M464-L468 PolarHBondContact O-N 3.02Å; M464-L468 HydrophobicContact SD-CD1 4.26Å
465	L	97.9	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-39.1	-179.1	-73.5	-178	0	0	0	111	L354 Q381 I383 L412 A454 V461 R462 S467 L468 R469	L354-L465 HydrophobicContact CD1-CB 4.26Å; L354-L465 HydrophobicContact CD2-CB 3.81Å; L354-L465 HydrophobicContact CD2-CD1 4.34Å; L354-L465 HydrophobicContact CG-CB 3.87Å; L354-L465 HydrophobicContact CG-CD1 4.25Å; Q381-L465 HydrophobicContact CB-CD1 3.61Å; I383-L465 HydrophobicContact CD1-CB 3.7Å; I383-L465 HydrophobicContact CD1-CD2 4.12Å; I383-L465 HydrophobicContact CD1-CG 4.41Å; I383-L465 WeakPolarHBondContact CD1-O 3.3Å; I383-L465 HydrophobicContact CG1-CB 4.41Å; L412-L465 HydrophobicContact CD1-CD2 4.48Å; A454-L465 HydrophobicContact CB-CD1 4.32Å; A454-L465 HydrophobicContact CB-CD2 4.08Å; A454-L465 HydrophobicContact CB-CG 4.21Å; V461-L465 HydrophobicContact CG1-CD1 3.71Å; V461-L465 HydrophobicContact CG1-CG 4.27Å; V461-L465 WeakPolarHBondContact O-CB 3.45Å; V461-L465 WeakPolarHBondContact O-CG 3.43Å; V461-L465 PolarHBondContact O-N 2.8Å; R462-L465 PolarHBondContact O-N 3.14Å; L465-S467 PolarHBondContact O-N 3.02Å; L465-L468 HydrophobicContact CD2-CD1 4.4Å; L465-L468 PolarHBondContact O-N 2.63Å; L465-R469 WeakPolarHBondContact O-CB 3.36Å; L465-R469 PolarHBondContact O-N 3.38Å
466	G	97.4	Very high	95.5	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-41.1	173.6	0	0	0	0	0	113.9	Y341 R462 P463 M464 R469 L470	Y341-G466 WeakPolarHBondContact O-CA 3.37Å; R462-G466 PolarHBondContact O-N 3.45Å; P463-G466 PolarHBondContact O-N 3.05Å; M464-G466 VanDerWaalsContact C-N 3.32Å; M464-G466 PolarHBondContact O-N 3.5Å; G466-R469 WeakPolarHBondContact O-CB 3.16Å; G466-L470 PolarHBondContact O-N 2.7Å
467	S	96.9	Very high	95.6	Very high	36 Å²	36	30.9 Å²	30.9	25%	0.252	16%	0.162	S	C	.	.	H	α-helix	trans	-65.2	-47.2	172.5	-177.4	0	0	0	0	111.9	P463 M464 L465 R469 L470 K471	P463-S467 PolarHBondContact O-N 2.96Å; M464-S467 PolarHBondContact O-N 3.46Å; L465-S467 PolarHBondContact O-N 3.02Å; S467-R469 VanDerWaalsContact C-N 3.29Å; S467-R469 PolarHBondContact O-N 3.29Å; S467-L470 PolarHBondContact O-N 3.17Å; S467-K471 PolarHBondContact O-N 2.86Å
468	L	97.8	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-30.3	178.9	-67.6	171.1	0	0	0	112.9	L400 T403 A404 L412 L452 M464 L465 K471 A472	L400-L468 HydrophobicContact CB-CD2 4.42Å; L400-L468 HydrophobicContact CD2-CD2 3.9Å; L400-L468 WeakPolarHBondContact O-CD2 3.28Å; T403-L468 HydrophobicContact CG2-CD2 4.01Å; A404-L468 HydrophobicContact CB-CD1 4.29Å; L412-L468 HydrophobicContact CD1-CD1 3.66Å; L412-L468 HydrophobicContact CD2-CD1 3.72Å; L412-L468 HydrophobicContact CD2-CD2 4.39Å; L412-L468 HydrophobicContact CG-CD1 4.3Å; L452-L468 HydrophobicContact CD1-CB 4.14Å; M464-L468 HydrophobicContact CG-CD1 3.69Å; M464-L468 HydrophobicContact CG-CG 4.31Å; M464-L468 VanDerWaalsContact O-CG 3.3Å; M464-L468 WeakPolarHBondContact O-CG 3.48Å; M464-L468 PolarHBondContact O-N 3.02Å; M464-L468 HydrophobicContact SD-CD1 4.26Å; L465-L468 HydrophobicContact CD2-CD1 4.4Å; L465-L468 PolarHBondContact O-N 2.63Å; L468-K471 PolarHBondContact O-N 2.9Å; L468-A472 VanDerWaalsContact O-CB 3.31Å; L468-A472 WeakPolarHBondContact O-CB 3.21Å; L468-A472 PolarHBondContact O-N 3.45Å
469	R	97.9	Very high	95.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-58.5	-50.8	171.6	-177.4	-173.8	168.4	-98.9	-3.6	111.3	D347 F350 G351 M352 I383 L465 G466 S467 K471 A472 A473	D347-R469 PolarHBondContact O-NH1 3.43Å; D347-R469 PolarHBondContact O-NH2 3.1Å; F350-R469 HydrophobicContact CE2-CG 3.8Å; F350-R469 HydrophobicContact CZ-CG 3.95Å; F350-R469 PolarHBondContact O-NH2 3.14Å; G351-R469 PolarHBondContact O-NE 2.8Å; G351-R469 PolarHBondContact O-NH2 3.34Å; M352-R469 HydrophobicContact CB-CG 3.96Å; M352-R469 WeakPolarHBondContact O-CD 3.49Å; M352-R469 WeakPolarHBondContact O-CG 3.46Å; M352-R469 PolarHBondContact O-NE 3.16Å; I383-R469 HydrophobicContact CD1-CB 3.84Å; L465-R469 WeakPolarHBondContact O-CB 3.36Å; L465-R469 PolarHBondContact O-N 3.38Å; G466-R469 WeakPolarHBondContact O-CB 3.16Å; S467-R469 VanDerWaalsContact C-N 3.29Å; S467-R469 PolarHBondContact O-N 3.29Å; R469-K471 VanDerWaalsContact C-N 3.32Å; R469-A472 PolarHBondContact O-N 2.7Å; R469-A473 PolarHBondContact O-N 3.13Å; R469-A473 VanDerWaalsContact O-N 3.1Å
470	L	97.1	Very high	96.2	Very high	56 Å²	56	30.3 Å²	30.3	29%	0.293	19%	0.187	S	C	.	.	H	α-helix	trans	-65	-38.5	177.7	-64.9	173	0	0	0	111.1	D347 F350 G466 S467 A473 Q474	D347-L470 HydrophobicContact CB-CD2 3.95Å; F350-L470 HydrophobicContact CE1-CD2 4.19Å; F350-L470 HydrophobicContact CZ-CD2 4.14Å; G466-L470 PolarHBondContact O-N 2.7Å; S467-L470 PolarHBondContact O-N 3.17Å; L470-A473 PolarHBondContact O-N 3.1Å; L470-Q474 WeakPolarHBondContact O-CG 3.28Å; L470-Q474 PolarHBondContact O-N 3.2Å; L470-Q474 VanDerWaalsContact O-N 3.11Å
471	K	97	Very high	96.3	Very high	45 Å²	45	32.7 Å²	32.7	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-40.6	176.3	-173.7	56.7	174.4	174.4	0	112.7	E399 L400 S467 L468 R469 Q474 L475	E399-K471 WeakPolarHBondContact OE1-CE 3.43Å; E399-K471 IonicContact OE1-NZ 3.25Å; E399-K471 PolarHBondContact OE1-NZ 3.03Å; L400-K471 HydrophobicContact CD2-CB 4.19Å; L400-K471 HydrophobicContact CD2-CG 3.83Å; S467-K471 PolarHBondContact O-N 2.86Å; L468-K471 PolarHBondContact O-N 2.9Å; R469-K471 VanDerWaalsContact C-N 3.32Å; K471-Q474 PolarHBondContact O-N 3.21Å; K471-L475 HydrophobicContact CG-CD1 4.26Å; K471-L475 WeakPolarHBondContact O-CG 3.05Å; K471-L475 PolarHBondContact O-N 3.14Å
472	A	97.6	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-40.7	175.9	0	0	0	0	0	111.9	V385 F392 L468 R469 L475 L476	V385-A472 HydrophobicContact CG1-CB 4.07Å; V385-A472 HydrophobicContact CG2-CB 3.84Å; F392-A472 HydrophobicContact CZ-CB 4.35Å; L468-A472 VanDerWaalsContact O-CB 3.31Å; L468-A472 WeakPolarHBondContact O-CB 3.21Å; L468-A472 PolarHBondContact O-N 3.45Å; R469-A472 PolarHBondContact O-N 2.7Å; A472-L475 PolarHBondContact O-N 2.76Å; A472-L476 WeakPolarHBondContact O-CG 3.5Å; A472-L476 PolarHBondContact O-N 3.34Å
473	A	97.3	Very high	96.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-47.4	173.1	0	0	0	0	0	112.1	F350 R469 L470 L475 L476 E477 V483	F350-A473 HydrophobicContact CD2-CB 4.33Å; F350-A473 HydrophobicContact CE1-CB 4.26Å; F350-A473 HydrophobicContact CE2-CB 3.71Å; F350-A473 HydrophobicContact CZ-CB 3.65Å; R469-A473 PolarHBondContact O-N 3.13Å; R469-A473 VanDerWaalsContact O-N 3.1Å; L470-A473 PolarHBondContact O-N 3.1Å; A473-L475 VanDerWaalsContact C-N 3.29Å; A473-L475 PolarHBondContact O-N 2.66Å; A473-L476 PolarHBondContact O-N 3.21Å; A473-E477 WeakPolarHBondContact O-CB 3.43Å; A473-E477 VanDerWaalsContact O-CG 3.28Å; A473-E477 WeakPolarHBondContact O-CG 3.48Å; A473-E477 PolarHBondContact O-N 2.94Å; A473-V483 HydrophobicContact CB-CG1 3.91Å
474	Q	96.4	Very high	96.2	Very high	93 Å²	93	37.8 Å²	37.8	44%	0.435	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-38.5	175.1	-69.1	168	12.1	0	0	112.8	L470 K471 A478	L470-Q474 WeakPolarHBondContact O-CG 3.28Å; L470-Q474 PolarHBondContact O-N 3.2Å; L470-Q474 VanDerWaalsContact O-N 3.11Å; K471-Q474 PolarHBondContact O-N 3.21Å; Q474-A478 WeakPolarHBondContact O-CB 3.24Å; Q474-A478 PolarHBondContact O-N 3.27Å
475	L	97.1	Very high	96	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.058	25%	0.25	C	C	.	.	H	α-helix	trans	-71	-36.8	178.6	-72.2	167.3	0	0	0	112.2	F392 D396 L400 K471 A472 A473 A478 H479	F392-L475 HydrophobicContact CD1-CB 4.33Å; F392-L475 HydrophobicContact CE1-CB 3.58Å; F392-L475 HydrophobicContact CZ-CB 3.7Å; F392-L475 HydrophobicContact CZ-CD1 4.43Å; D396-L475 HydrophobicContact CB-CD1 4.27Å; D396-L475 HydrophobicContact CB-CD2 4.2Å; L400-L475 HydrophobicContact CD1-CD1 4.21Å; L400-L475 HydrophobicContact CD2-CD1 4.05Å; L400-L475 HydrophobicContact CG-CD1 3.98Å; K471-L475 HydrophobicContact CG-CD1 4.26Å; K471-L475 WeakPolarHBondContact O-CG 3.05Å; K471-L475 PolarHBondContact O-N 3.14Å; A472-L475 PolarHBondContact O-N 2.76Å; A473-L475 VanDerWaalsContact C-N 3.29Å; A473-L475 PolarHBondContact O-N 2.66Å; L475-A478 PolarHBondContact O-N 2.65Å; L475-H479 PolarHBondContact O-N 3Å; L475-H479 VanDerWaalsContact O-N 3.14Å; L475-H479 PolarHBondContact O-ND1 3.17Å
476	L	97.1	Very high	95.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-68	-40.2	174	-69.6	166.2	0	0	0	111.5	M352 V385 L391 F392 A472 A473 H479 G480 L481 V483	M352-L476 HydrophobicContact CE-CD1 3.41Å; M352-L476 VanDerWaalsContact CE-CD1 3.41Å; M352-L476 HydrophobicContact SD-CD1 4.4Å; V385-L476 HydrophobicContact CG1-CD1 3.81Å; V385-L476 HydrophobicContact CG1-CG 4.38Å; L391-L476 HydrophobicContact CD1-CD2 4.05Å; F392-L476 HydrophobicContact CD1-CD2 4.4Å; F392-L476 HydrophobicContact CE1-CD2 3.57Å; F392-L476 HydrophobicContact CE1-CG 3.68Å; F392-L476 HydrophobicContact CZ-CD2 4Å; F392-L476 HydrophobicContact CZ-CG 3.81Å; A472-L476 WeakPolarHBondContact O-CG 3.5Å; A472-L476 PolarHBondContact O-N 3.34Å; A473-L476 PolarHBondContact O-N 3.21Å; L476-H479 CarbonylContact O-C 3.56Å; L476-H479 WeakPolarHBondContact O-CA 3.38Å; L476-H479 PolarHBondContact O-N 3.45Å; L476-H479 VanDerWaalsContact O-N 3.12Å; L476-G480 PolarHBondContact O-N 3.4Å; L476-L481 HydrophobicContact CB-CB 4.38Å; L476-L481 HydrophobicContact CD2-CD1 4.15Å; L476-L481 PolarHBondContact O-N 3.11Å; L476-V483 HydrophobicContact CB-CG2 3.62Å; L476-V483 HydrophobicContact CD1-CG2 4.01Å; L476-V483 HydrophobicContact CG-CG2 4.48Å
477	E	96.1	Very high	95.2	Very high	57 Å²	57	51.5 Å²	51.5	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-61.9	-42	173.3	-71.6	161.6	-177.7	0	0	111.7	A473 H479 G480 L481 V483 R484	A473-E477 WeakPolarHBondContact O-CB 3.43Å; A473-E477 VanDerWaalsContact O-CG 3.28Å; A473-E477 WeakPolarHBondContact O-CG 3.48Å; A473-E477 PolarHBondContact O-N 2.94Å; E477-H479 PolarHBondContact O-N 2.59Å; E477-G480 PolarHBondContact O-N 3.02Å; E477-L481 VanDerWaalsContact CA-O 3.29Å; E477-L481 WeakPolarHBondContact CA-O 3.25Å; E477-V483 HydrophobicContact CG-CB 4.11Å; E477-V483 HydrophobicContact CG-CG2 4.35Å; E477-R484 WeakPolarHBondContact OE1-CB 3.47Å; E477-R484 WeakPolarHBondContact OE1-CG 3.49Å; E477-R484 IonicContact OE1-CZ 2.75Å; E477-R484 PolarHBondContact OE1-N 2.76Å; E477-R484 IonicContact OE1-NE 3.44Å; E477-R484 PolarHBondContact OE1-NE 2.81Å; E477-R484 IonicContact OE1-NH2 3.55Å; E477-R484 PolarHBondContact OE1-NH2 3.48Å; E477-R484 IonicContact OE2-CZ 3.93Å; E477-R484 IonicContact OE2-NE 3.2Å; E477-R484 IonicContact OE2-NH2 2.68Å; E477-R484 PolarHBondContact OE2-NH2 3.15Å
478	A	95.7	Very high	95	Very high	83 Å²	83	50.9 Å²	50.9	69%	0.686	30%	0.302	S	S	*	.	H	α-helix	trans	-64.7	-25.3	173.5	0	0	0	0	0	113.5	Q474 L475 G480	Q474-A478 WeakPolarHBondContact O-CB 3.24Å; Q474-A478 PolarHBondContact O-N 3.27Å; L475-A478 PolarHBondContact O-N 2.65Å; A478-G480 VanDerWaalsContact C-N 3.34Å
479	H	95.4	Very high	94.9	Very high	73 Å²	73	52.5 Å²	52.5	34%	0.338	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9.5	172.1	-71.8	85.5	0	0	0	113.3	L391 D396 L475 L476 E477	L391-H479 HydrophobicContact CB-CB 4.48Å; D396-H479 IonicContact OD2-CE1 2.66Å; D396-H479 PolarHBondContact OD2-CE1 2.85Å; D396-H479 IonicContact OD2-NE2 2.79Å; L475-H479 PolarHBondContact O-N 3Å; L475-H479 VanDerWaalsContact O-N 3.14Å; L475-H479 PolarHBondContact O-ND1 3.17Å; L476-H479 CarbonylContact O-C 3.56Å; L476-H479 WeakPolarHBondContact O-CA 3.38Å; L476-H479 PolarHBondContact O-N 3.45Å; L476-H479 VanDerWaalsContact O-N 3.12Å; E477-H479 PolarHBondContact O-N 2.59Å
480	G	93.2	Very high	94.8	Very high	67 Å²	67	55.3 Å²	55.3	69%	0.691	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	5.8	171.3	0	0	0	0	0	116.3	L476 E477 A478	L476-G480 PolarHBondContact O-N 3.4Å; E477-G480 PolarHBondContact O-N 3.02Å; A478-G480 VanDerWaalsContact C-N 3.34Å
481	L	93.4	Very high	94.8	Very high	74 Å²	74	53.3 Å²	53.3	39%	0.387	31%	0.313	S	S	.	.			trans	-85.6	120.9	169.4	-72.2	-173.4	0	0	0	110.7	L391 L476 E477 V483	L391-L481 HydrophobicContact CD1-CD1 3.4Å; L391-L481 VanDerWaalsContact CD1-CD1 3.4Å; L391-L481 HydrophobicContact CD1-CG 3.79Å; L476-L481 HydrophobicContact CB-CB 4.38Å; L476-L481 HydrophobicContact CD2-CD1 4.15Å; L476-L481 PolarHBondContact O-N 3.11Å; E477-L481 VanDerWaalsContact CA-O 3.29Å; E477-L481 WeakPolarHBondContact CA-O 3.25Å; L481-V483 HydrophobicContact CB-CG2 4.45Å; L481-V483 PolarHBondContact O-N 3.16Å
482	S	93.1	Very high	94.9	Very high	108 Å²	108	51.2 Å²	51.2	76%	0.755	30%	0.304	S	S	*	.			trans	-69.5	100.4	169.2	-168.7	0	0	0	0	109.7
483	V	95	Very high	95	Very high	30 Å²	30	51.2 Å²	51.2	18%	0.182	30%	0.304	C	S	.	.			trans	-92.2	-35.6	176.6	179	0	0	0	0	111.4	F350 M352 A473 L476 E477 L481	F350-V483 HydrophobicContact CB-CG1 3.71Å; F350-V483 WeakPolarHBondContact CB-O 3.4Å; F350-V483 HydrophobicContact CD2-CG1 3.77Å; F350-V483 HydrophobicContact CE2-CG1 4.49Å; F350-V483 HydrophobicContact CG-CG1 3.8Å; M352-V483 HydrophobicContact CE-CG1 3.63Å; M352-V483 HydrophobicContact CE-CG2 4.32Å; A473-V483 HydrophobicContact CB-CG1 3.91Å; L476-V483 HydrophobicContact CB-CG2 3.62Å; L476-V483 HydrophobicContact CD1-CG2 4.01Å; L476-V483 HydrophobicContact CG-CG2 4.48Å; E477-V483 HydrophobicContact CG-CB 4.11Å; E477-V483 HydrophobicContact CG-CG2 4.35Å; L481-V483 HydrophobicContact CB-CG2 4.45Å; L481-V483 PolarHBondContact O-N 3.16Å
484	R	95.1	Very high	95	Very high	51 Å²	51	51.2 Å²	51.2	19%	0.192	30%	0.304	C	S	.	.	S	Bend	trans	-128.8	127.2	179.7	-60.8	175.3	-68.6	164.9	4.1	110	D347 R349 F350 E477 P486	D347-R484 WeakPolarHBondContact OD2-CD 3.27Å; D347-R484 IonicContact OD2-NH1 3.8Å; D347-R484 PolarHBondContact OD2-NH1 2.66Å; R349-R484 HydrophobicContact CB-CG 4.48Å; F350-R484 HydrophobicContact CB-CG 4.32Å; F350-R484 HydrophobicContact CD1-CG 3.56Å; F350-R484 HydrophobicContact CE1-CG 4.11Å; F350-R484 HydrophobicContact CG-CG 4.16Å; E477-R484 WeakPolarHBondContact OE1-CB 3.47Å; E477-R484 WeakPolarHBondContact OE1-CG 3.49Å; E477-R484 IonicContact OE1-CZ 2.75Å; E477-R484 PolarHBondContact OE1-N 2.76Å; E477-R484 IonicContact OE1-NE 3.44Å; E477-R484 PolarHBondContact OE1-NE 2.81Å; E477-R484 IonicContact OE1-NH2 3.55Å; E477-R484 PolarHBondContact OE1-NH2 3.48Å; E477-R484 IonicContact OE2-CZ 3.93Å; E477-R484 IonicContact OE2-NE 3.2Å; E477-R484 IonicContact OE2-NH2 2.68Å; E477-R484 PolarHBondContact OE2-NH2 3.15Å; R484-P486 WeakPolarHBondContact O-CD 3.23Å
485	D	92.2	Very high	95.1	Very high	86 Å²	86	47.4 Å²	47.4	46%	0.46	29%	0.287	S	S	.	.			trans	-70.2	120.7	170.1	176.7	-4.7	0	0	0	109.6	R349 D487 S488	R349-D485 PolarHBondContact NH1-O 2.84Å; D485-D487 PolarHBondContact OD1-N 2.88Å; D485-S488 PolarHBondContact O-OG 2.92Å; D485-S488 PolarHBondContact OD1-N 3.24Å
486	P	88.1	Confident	95.1	Very high	102 Å²	102	49 Å²	49	66%	0.662	30%	0.296	S	S	*	.	S	Bend	trans	-73.8	-21.5	179.8	32	-36.6	0	0	0	114	R484	R484-P486 WeakPolarHBondContact O-CD 3.23Å
487	D	89.4	Confident	95.1	Very high	105 Å²	105	49.4 Å²	49.4	56%	0.561	30%	0.298	S	S	*	.	S	Bend	trans	-96.4	-7.2	178.9	-82.1	-63.5	0	0	0	113	K322 D485 F489	K322-D487 IonicContact NZ-OD1 2.75Å; K322-D487 PolarHBondContact NZ-OD1 3.26Å; D485-D487 PolarHBondContact OD1-N 2.88Å; D487-F489 WeakPolarHBondContact O-CD2 3.49Å; D487-F489 WeakPolarHBondContact O-CE2 3.48Å
488	S	92.4	Very high	95.1	Very high	24 Å²	24	48.1 Å²	48.1	17%	0.168	29%	0.294	C	S	.	.			trans	-72.6	147.5	170.4	69.4	0	0	0	0	113.2	R349 D485 N545	R349-S488 WeakPolarHBondContact CD-OG 3.43Å; D485-S488 PolarHBondContact O-OG 2.92Å; D485-S488 PolarHBondContact OD1-N 3.24Å; S488-N545 PolarHBondContact O-ND2 2.81Å
489	F	95.7	Very high	95.2	Very high	34 Å²	34	44.6 Å²	44.6	15%	0.149	26%	0.264	C	S	.	.			trans	-128	87.1	179.5	-64.5	-86.4	0	0	0	110.7	W318 K322 D487 F491 L544 I604 L605	W318-F489 HydrophobicContact CH2-CB 4.45Å; W318-F489 AromaticContact CH2-CD1 3.85Å; W318-F489 HydrophobicContact CH2-CD1 3.85Å; W318-F489 HydrophobicContact CH2-CE1 4.26Å; W318-F489 HydrophobicContact CH2-CG 4.1Å; W318-F489 HydrophobicContact CZ2-CB 4.15Å; W318-F489 AromaticContact CZ2-CD1 3.83Å; W318-F489 HydrophobicContact CZ2-CD1 3.83Å; W318-F489 AromaticContact CZ2-CD2 3.92Å; W318-F489 HydrophobicContact CZ2-CD2 3.92Å; W318-F489 HydrophobicContact CZ2-CE1 4.18Å; W318-F489 HydrophobicContact CZ2-CE2 4.27Å; W318-F489 AromaticContact CZ2-CG 3.69Å; W318-F489 HydrophobicContact CZ2-CG 3.69Å; W318-F489 HydrophobicContact CZ2-CZ 4.39Å; K322-F489 HydrophobicContact CB-CE2 4.26Å; K322-F489 HydrophobicContact CD-CE2 3.86Å; K322-F489 HydrophobicContact CD-CZ 3.98Å; K322-F489 HydrophobicContact CG-CE2 4.3Å; K322-F489 HydrophobicContact CG-CZ 4.33Å; D487-F489 WeakPolarHBondContact O-CD2 3.49Å; D487-F489 WeakPolarHBondContact O-CE2 3.48Å; F489-F491 HydrophobicContact CB-CE2 4.06Å; F489-F491 PolarHBondContact O-N 3.41Å; F489-L544 HydrophobicContact CB-CD1 3.98Å; F489-L544 HydrophobicContact CD1-CD1 4.21Å; F489-L544 HydrophobicContact CD1-CD2 4.32Å; F489-I604 HydrophobicContact CD1-CG2 4.41Å; F489-I604 HydrophobicContact CE1-CG2 4.19Å; F489-L605 HydrophobicContact CE1-CD2 4.26Å; F489-L605 HydrophobicContact CZ-CD2 4.43Å
490	N	96.2	Very high	95.2	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	25%	0.249	S	C	.	.			trans	-88.4	103.7	177.5	-75.8	22.6	0	0	0	110.2	R349 L544 N545	R349-N490 HydrophobicContact CG-CB 3.93Å; N490-L544 WeakPolarHBondContact O-CA 3.11Å; N490-N545 PolarHBondContact N-OD1 2.9Å; N490-N545 PolarHBondContact O-N 3.47Å
491	F	98.2	Very high	95.1	Very high	14 Å²	14	41.4 Å²	41.4	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141	169.3	-68.8	-93.9	0	0	0	111.2	L314 W318 L325 F329 F489 L542 V543 L544 I549	L314-F491 HydrophobicContact CD1-CD1 4.39Å; L314-F491 HydrophobicContact CD1-CE1 3.87Å; W318-F491 AromaticContact CH2-CE2 3.83Å; W318-F491 HydrophobicContact CH2-CE2 3.83Å; W318-F491 AromaticContact CH2-CZ 3.62Å; W318-F491 HydrophobicContact CH2-CZ 3.62Å; W318-F491 HydrophobicContact CZ2-CE2 4.42Å; W318-F491 HydrophobicContact CZ3-CE2 4.18Å; W318-F491 AromaticContact CZ3-CZ 3.64Å; W318-F491 HydrophobicContact CZ3-CZ 3.64Å; L325-F491 HydrophobicContact CD1-CE2 3.98Å; L325-F491 HydrophobicContact CD1-CZ 4.22Å; L325-F491 HydrophobicContact CD2-CD2 4.21Å; L325-F491 HydrophobicContact CD2-CE2 3.63Å; L325-F491 HydrophobicContact CG-CE2 4.48Å; F329-F491 HydrophobicContact CB-CB 4.11Å; F329-F491 HydrophobicContact CD1-CB 3.62Å; F329-F491 HydrophobicContact CD1-CG 4.16Å; F329-F491 HydrophobicContact CD2-CB 3.65Å; F329-F491 HydrophobicContact CD2-CD1 4.27Å; F329-F491 HydrophobicContact CD2-CG 4.15Å; F329-F491 HydrophobicContact CE1-CB 3.86Å; F329-F491 HydrophobicContact CE1-CD1 4.48Å; F329-F491 AromaticContact CE1-CD2 3.97Å; F329-F491 HydrophobicContact CE1-CD2 3.97Å; F329-F491 AromaticContact CE1-CG 3.86Å; F329-F491 HydrophobicContact CE1-CG 3.86Å; F329-F491 HydrophobicContact CE2-CB 3.88Å; F329-F491 AromaticContact CE2-CD1 3.73Å; F329-F491 HydrophobicContact CE2-CD1 3.73Å; F329-F491 HydrophobicContact CE2-CE1 4.42Å; F329-F491 AromaticContact CE2-CG 3.84Å; F329-F491 HydrophobicContact CE2-CG 3.84Å; F329-F491 HydrophobicContact CG-CB 3.52Å; F329-F491 HydrophobicContact CG-CG 4.31Å; F329-F491 HydrophobicContact CZ-CB 3.99Å; F329-F491 AromaticContact CZ-CD1 3.86Å; F329-F491 HydrophobicContact CZ-CD1 3.86Å; F329-F491 HydrophobicContact CZ-CD2 4.04Å; F329-F491 HydrophobicContact CZ-CE1 4.32Å; F329-F491 HydrophobicContact CZ-CE2 4.5Å; F329-F491 AromaticContact CZ-CG 3.69Å; F329-F491 HydrophobicContact CZ-CG 3.69Å; F489-F491 HydrophobicContact CB-CE2 4.06Å; F489-F491 PolarHBondContact O-N 3.41Å; F491-L542 HydrophobicContact CD1-CD1 4.12Å; F491-L542 HydrophobicContact CD1-CD2 4.26Å; F491-L542 HydrophobicContact CD1-CG 4.32Å; F491-V543 CarbonylContact C-O 3.07Å; F491-V543 WeakPolarHBondContact CA-O 3.35Å; F491-L544 HydrophobicContact CD1-CB 4.29Å; F491-L544 HydrophobicContact CD1-CD1 4.19Å; F491-L544 HydrophobicContact CD2-CD1 3.91Å; F491-L544 HydrophobicContact CE1-CB 4.28Å; F491-L544 HydrophobicContact CE1-CD1 4.11Å; F491-L544 HydrophobicContact CE1-CD2 4Å; F491-L544 HydrophobicContact CE1-CG 4.35Å; F491-L544 HydrophobicContact CE2-CD1 3.8Å; F491-L544 HydrophobicContact CG-CD1 4.11Å; F491-L544 HydrophobicContact CZ-CD1 3.91Å; F491-L544 HydrophobicContact CZ-CD2 3.88Å; F491-L544 HydrophobicContact CZ-CG 4.4Å; F491-I549 HydrophobicContact CD1-CD1 4.08Å; F491-I549 HydrophobicContact CE1-CD1 3.6Å
492	L	98.6	Very high	94.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.3	176.6	178.6	78	0	0	0	109.6	Q330 M332 P346 T348 V494 V543	Q330-L492 HydrophobicContact CB-CD1 3.79Å; Q330-L492 CarbonylContact O-C 3.56Å; Q330-L492 WeakPolarHBondContact O-CA 3.31Å; M332-L492 HydrophobicContact CB-CD1 3.95Å; M332-L492 HydrophobicContact CB-CD2 4.31Å; M332-L492 HydrophobicContact CB-CG 4.46Å; M332-L492 HydrophobicContact CE-CD1 4.06Å; M332-L492 HydrophobicContact CE-CD2 4.06Å; M332-L492 HydrophobicContact SD-CD2 4.34Å; P346-L492 HydrophobicContact CG-CD2 3.5Å; P346-L492 VanDerWaalsContact CG-CD2 3.5Å; T348-L492 HydrophobicContact CG2-CD2 3.93Å; L492-V494 HydrophobicContact CD2-CG2 3.71Å; L492-V494 HydrophobicContact CG-CG2 4.17Å; L492-V543 HydrophobicContact CB-CB 4.35Å; L492-V543 PolarHBondContact N-O 3.03Å; L492-V543 PolarHBondContact O-N 2.8Å
493	W	98.8	Very high	94.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.2	161.2	-67.9	113.7	0	0	0	110.2	L307 V310 E311 F329 Q330 T331 M332 V495 Y540 L542 I594	L307-W493 HydrophobicContact CB-CZ2 4.13Å; L307-W493 HydrophobicContact CD1-CD2 4.31Å; L307-W493 HydrophobicContact CD1-CE3 4.1Å; L307-W493 HydrophobicContact CD1-CH2 4.28Å; L307-W493 HydrophobicContact CD1-CZ3 4.07Å; L307-W493 HydrophobicContact CD2-CB 4.36Å; L307-W493 HydrophobicContact CD2-CD2 4.06Å; L307-W493 HydrophobicContact CD2-CG 3.94Å; L307-W493 HydrophobicContact CG-CD2 3.64Å; L307-W493 HydrophobicContact CG-CE3 3.94Å; L307-W493 HydrophobicContact CG-CG 4.05Å; L307-W493 HydrophobicContact CG-CH2 4.14Å; L307-W493 HydrophobicContact CG-CZ2 3.88Å; L307-W493 HydrophobicContact CG-CZ3 4.17Å; V310-W493 HydrophobicContact CB-CH2 3.75Å; V310-W493 HydrophobicContact CB-CZ2 3.84Å; V310-W493 HydrophobicContact CG1-CH2 3.68Å; V310-W493 HydrophobicContact CG1-CZ2 3.89Å; V310-W493 HydrophobicContact CG2-CH2 4.18Å; E311-W493 HydrophobicContact CG-CZ2 4.37Å; E311-W493 PolarHBondContact OE1-NE1 3.13Å; F329-W493 AromaticContact CD2-NE1 3.73Å; Q330-W493 PolarHBondContact O-N 2.78Å; T331-W493 CarbonylContact C-O 3.46Å; T331-W493 WeakPolarHBondContact CA-O 3.4Å; T331-W493 HydrophobicContact CG2-CB 4.14Å; M332-W493 PolarHBondContact N-O 3.45Å; W493-V495 HydrophobicContact CB-CG1 4.38Å; W493-Y540 HydrophobicContact CZ3-CD2 4.3Å; W493-L542 HydrophobicContact CD2-CD1 3.86Å; W493-L542 HydrophobicContact CE3-CB 3.94Å; W493-L542 HydrophobicContact CE3-CD1 4.01Å; W493-L542 HydrophobicContact CG-CD1 4.47Å; W493-L542 HydrophobicContact CH2-CB 4.04Å; W493-L542 HydrophobicContact CH2-CD1 4.23Å; W493-L542 HydrophobicContact CH2-CD2 4.26Å; W493-L542 HydrophobicContact CH2-CG 4.41Å; W493-L542 HydrophobicContact CZ2-CD1 4.06Å; W493-L542 HydrophobicContact CZ2-CD2 4.44Å; W493-L542 HydrophobicContact CZ3-CB 3.62Å; W493-L542 HydrophobicContact CZ3-CD1 4.22Å; W493-L542 HydrophobicContact CZ3-CG 4.36Å; W493-I594 HydrophobicContact CH2-CD1 3.87Å; W493-I594 HydrophobicContact CZ3-CD1 3.9Å
494	V	98.7	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.3	164.3	-174.2	0	0	0	0	108.3	M332 A337 D344 L492 F497 Y540 D541 V543	M332-V494 VanDerWaalsContact O-CA 3.27Å; M332-V494 WeakPolarHBondContact O-CA 3.26Å; A337-V494 HydrophobicContact CB-CG1 4.22Å; D344-V494 WeakPolarHBondContact O-CG2 3.16Å; L492-V494 HydrophobicContact CD2-CG2 3.71Å; L492-V494 HydrophobicContact CG-CG2 4.17Å; V494-F497 HydrophobicContact CB-CE2 3.96Å; V494-F497 HydrophobicContact CB-CZ 4.13Å; V494-F497 HydrophobicContact CG1-CD2 4.46Å; V494-F497 HydrophobicContact CG1-CE2 3.64Å; V494-F497 HydrophobicContact CG1-CZ 3.75Å; V494-F497 WeakPolarHBondContact O-CE2 3.43Å; V494-Y540 CarbonylContact O-C 3.52Å; V494-Y540 VanDerWaalsContact O-CA 3.24Å; V494-Y540 WeakPolarHBondContact O-CA 3.39Å; V494-D541 PolarHBondContact N-O 2.89Å; V494-D541 PolarHBondContact O-N 3.02Å; V494-V543 HydrophobicContact CG2-CG2 3.99Å
495	V	98.3	Very high	93.2	Very high	13 Å²	13	51.6 Å²	51.6	8%	0.079	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	176.1	-170.6	-56.5	0	0	0	0	111	Q303 T331 M332 T333 Y334 W493 F497	Q303-V495 VanDerWaalsContact NE2-CG1 3.3Å; T331-V495 HydrophobicContact CG2-CB 4.49Å; T331-V495 HydrophobicContact CG2-CG1 3.83Å; T331-V495 HydrophobicContact CG2-CG2 3.77Å; M332-V495 PolarHBondContact O-N 3.49Å; T333-V495 CarbonylContact C-O 3.53Å; T333-V495 WeakPolarHBondContact CA-O 3.44Å; T333-V495 HydrophobicContact CG2-CG2 4.42Å; Y334-V495 PolarHBondContact N-O 2.93Å; W493-V495 HydrophobicContact CB-CG1 4.38Å; V495-F497 VanDerWaalsContact C-N 3.27Å; V495-F497 PolarHBondContact O-N 2.87Å
496	D	96.4	Very high	92.8	Very high	44 Å²	44	51.8 Å²	51.8	24%	0.235	27%	0.274	C	S	.	.			trans	55.4	39.9	176.6	-80	15.6	0	0	0	113.7	T333 Q521 R536	T333-D496 HydrophobicContact CG2-CB 4.15Å; D496-Q521 PolarHBondContact OD1-NE2 3.06Å; D496-R536 IonicContact OD2-NH1 3.61Å; D496-R536 PolarHBondContact OD2-NH1 3.3Å; D496-R536 VanDerWaalsContact OD2-NH1 3.08Å
497	F	97.5	Very high	92.6	Very high	12 Å²	12	51.5 Å²	51.5	5%	0.053	27%	0.272	C	S	.	.			trans	-63.5	151.9	170	-74.7	-107.5	0	0	0	111.1	Y334 D344 V494 V495 R536 G537 H539 D541	Y334-F497 AromaticContact CD2-CD1 3.32Å; Y334-F497 HydrophobicContact CD2-CD1 3.32Å; Y334-F497 AromaticContact CD2-CE1 3.51Å; Y334-F497 HydrophobicContact CD2-CE1 3.51Å; Y334-F497 AromaticContact CD2-CG 3.99Å; Y334-F497 HydrophobicContact CD2-CG 3.99Å; Y334-F497 HydrophobicContact CD2-CZ 4.29Å; Y334-F497 AromaticContact CE2-CD1 3.88Å; Y334-F497 HydrophobicContact CE2-CD1 3.88Å; Y334-F497 HydrophobicContact CE2-CE1 4.04Å; Y334-F497 AromaticContact CG-CD1 3.96Å; Y334-F497 HydrophobicContact CG-CD1 3.96Å; Y334-F497 HydrophobicContact CG-CE1 4.45Å; Y334-F497 HydrophobicContact CG-CG 4.2Å; D344-F497 HydrophobicContact CB-CE1 4.11Å; V494-F497 HydrophobicContact CB-CE2 3.96Å; V494-F497 HydrophobicContact CB-CZ 4.13Å; V494-F497 HydrophobicContact CG1-CD2 4.46Å; V494-F497 HydrophobicContact CG1-CE2 3.64Å; V494-F497 HydrophobicContact CG1-CZ 3.75Å; V494-F497 WeakPolarHBondContact O-CE2 3.43Å; V495-F497 VanDerWaalsContact C-N 3.27Å; V495-F497 PolarHBondContact O-N 2.87Å; F497-R536 CarbonylContact O-C 3.6Å; F497-R536 VanDerWaalsContact O-CA 3.3Å; F497-R536 WeakPolarHBondContact O-CA 3.14Å; F497-G537 PolarHBondContact O-N 3.35Å; F497-H539 HydrophobicContact CB-CB 4.4Å; F497-H539 AromaticContact CD1-CD2 3.96Å; F497-H539 AromaticContact CD2-CD2 3.48Å; F497-H539 VanDerWaalsContact CD2-CD2 3.48Å; F497-H539 WeakPolarHBondContact CD2-CD2 3.27Å; F497-H539 AromaticContact CE2-CD2 3.76Å; F497-H539 AromaticContact CG-CD2 3.58Å; F497-D541 HydrophobicContact CE2-CB 4.34Å; F497-D541 HydrophobicContact CZ-CB 4.11Å; F497-D541 WeakPolarHBondContact CZ-OD2 3.24Å
498	P	96.4	Very high	92.4	Very high	30 Å²	30	53 Å²	53	20%	0.195	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-57.7	143.9	163.1	28.5	-35.7	0	0	0	109.7	Y334 L501 A513	Y334-P498 VanDerWaalsContact CD1-CD 3.44Å; Y334-P498 HydrophobicContact CD1-CG 4.38Å; Y334-P498 HydrophobicContact CE1-CG 4.05Å; P498-L501 HydrophobicContact CB-CD2 4.41Å; P498-L501 HydrophobicContact CG-CD2 3.74Å; P498-A513 WeakPolarHBondContact O-CB 3.35Å
499	L	96.5	Very high	92.4	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.042	28%	0.276	C	S	.	.	S	Bend	trans	-74.8	-33.7	176.8	-177.6	58.4	0	0	0	111.6	A513 T518 P520 L528 V535	L499-A513 PolarHBondContact O-N 3.01Å; L499-T518 HydrophobicContact CD1-CG2 3.57Å; L499-T518 WeakPolarHBondContact CD1-O 3.23Å; L499-P520 HydrophobicContact CD2-CB 4.11Å; L499-L528 HydrophobicContact CD2-CD1 4.07Å; L499-V535 HydrophobicContact CB-CB 4.25Å; L499-V535 HydrophobicContact CB-CG1 3.91Å; L499-V535 WeakPolarHBondContact CB-O 3.43Å; L499-V535 HydrophobicContact CD2-CB 4.45Å; L499-V535 HydrophobicContact CD2-CG1 3.6Å; L499-V535 HydrophobicContact CG-CG1 4.42Å; L499-V535 PolarHBondContact N-O 2.61Å
500	F	95.3	Very high	92.2	Very high	8 Å²	8	53.2 Å²	53.2	4%	0.035	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.7	-178.8	-55	-70.9	0	0	0	111.7	L510 E511 L528 P532 V565 I569 L570	F500-L510 HydrophobicContact CB-CB 4.22Å; F500-L510 HydrophobicContact CB-CD1 4.15Å; F500-L510 HydrophobicContact CB-CD2 4.18Å; F500-L510 HydrophobicContact CB-CG 4.42Å; F500-L510 HydrophobicContact CG-CD1 4.47Å; F500-E511 CarbonylContact C-O 3.44Å; F500-E511 WeakPolarHBondContact CA-O 3.36Å; F500-E511 WeakPolarHBondContact CB-O 3.48Å; F500-L528 HydrophobicContact CE2-CD1 3.73Å; F500-L528 HydrophobicContact CZ-CD1 4.12Å; F500-P532 HydrophobicContact CD2-CB 4.23Å; F500-P532 WeakPolarHBondContact CD2-O 3.3Å; F500-P532 HydrophobicContact CE2-CB 4.34Å; F500-V565 HydrophobicContact CE1-CG1 3.97Å; F500-V565 HydrophobicContact CZ-CG1 3.93Å; F500-V565 HydrophobicContact CZ-CG2 4.25Å; F500-I569 HydrophobicContact CD1-CG2 4.04Å; F500-I569 HydrophobicContact CD2-CG2 4.16Å; F500-I569 HydrophobicContact CE1-CG2 3.89Å; F500-I569 HydrophobicContact CE2-CD1 3.81Å; F500-I569 HydrophobicContact CE2-CG2 3.99Å; F500-I569 HydrophobicContact CG-CG2 4.18Å; F500-I569 HydrophobicContact CZ-CB 4.42Å; F500-I569 HydrophobicContact CZ-CD1 3.8Å; F500-I569 HydrophobicContact CZ-CG2 3.87Å; F500-L570 HydrophobicContact CD1-CD2 3.84Å; F500-L570 HydrophobicContact CE1-CD2 3.85Å; F500-L570 HydrophobicContact CE1-CG 4.19Å
501	L	91.9	Very high	92	Very high	65 Å²	65	54.4 Å²	54.4	34%	0.34	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	152.6	172.1	-65.2	174.9	0	0	0	110	P498 L510 E511 A513	P498-L501 HydrophobicContact CB-CD2 4.41Å; P498-L501 HydrophobicContact CG-CD2 3.74Å; L501-L510 CarbonylContact O-C 3.35Å; L501-L510 WeakPolarHBondContact O-CA 3.11Å; L501-E511 PolarHBondContact N-O 3.01Å; L501-E511 PolarHBondContact O-N 3.23Å; L501-A513 HydrophobicContact CD1-CB 4.16Å; L501-A513 HydrophobicContact CG-CB 3.95Å
502	P	89.8	Confident	91.7	Very high	74 Å²	74	55 Å²	55	48%	0.481	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.1	165.6	-16.9	31.3	0	0	0	110.7	P507	P502-P507 HydrophobicContact CB-CB 4.29Å
503	K	86.8	Confident	91.4	Very high	48 Å²	48	56.7 Å²	56.7	21%	0.209	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	140.4	176.1	-62.5	-179.3	-169.1	172.8	0	111	D505 K506 E509 L510 E511	K503-D505 VanDerWaalsContact C-N 3.35Å; K503-D505 PolarHBondContact O-N 2.71Å; K503-K506 HydrophobicContact CB-CB 4.44Å; K503-K506 CarbonylContact O-C 3.57Å; K503-K506 PolarHBondContact O-N 3.23Å; K503-E509 HydrophobicContact CD-CB 3.77Å; K503-E509 HydrophobicContact CG-CB 4.28Å; K503-E509 PolarHBondContact N-O 2.93Å; K503-E509 IonicContact NZ-OE2 2.67Å; K503-E509 PolarHBondContact NZ-OE2 2.71Å; K503-L510 WeakPolarHBondContact CE-O 3.5Å; K503-E511 HydrophobicContact CG-CB 3.88Å; K503-E511 HydrophobicContact CG-CG 3.88Å
504	E	77.8	Confident	90.8	Very high	190 Å²	190	60.7 Å²	60.7	89%	0.888	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-45.2	178.8	-63.6	-169.7	155.1	0	0	112.9	K506	E504-K506 VanDerWaalsContact C-N 3.33Å; E504-K506 PolarHBondContact O-N 3.23Å
505	D	81.8	Confident	90.4	Very high	165 Å²	165	61.8 Å²	61.8	88%	0.882	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.8	179.1	-74.7	-36.6	0	0	0	114	K503	K503-D505 VanDerWaalsContact C-N 3.35Å; K503-D505 PolarHBondContact O-N 2.71Å
506	K	85.3	Confident	90.1	Very high	90 Å²	90	62 Å²	62	39%	0.391	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	84	-169.7	-74.6	-173.3	175.8	176.8	0	111.9	K503 E504 E508 E509	K503-K506 HydrophobicContact CB-CB 4.44Å; K503-K506 CarbonylContact O-C 3.57Å; K503-K506 PolarHBondContact O-N 3.23Å; E504-K506 VanDerWaalsContact C-N 3.33Å; E504-K506 PolarHBondContact O-N 3.23Å; K506-E508 WeakPolarHBondContact CA-OE2 3.34Å; K506-E508 PolarHBondContact O-N 2.75Å; K506-E509 HydrophobicContact CB-CB 4.17Å; K506-E509 HydrophobicContact CB-CG 4.32Å; K506-E509 VanDerWaalsContact CD-CD 3.42Å; K506-E509 HydrophobicContact CD-CG 3.97Å; K506-E509 VanDerWaalsContact CD-OE1 3.27Å; K506-E509 WeakPolarHBondContact CD-OE1 3.5Å; K506-E509 IonicContact NZ-OE1 3.04Å; K506-E509 PolarHBondContact NZ-OE1 2.78Å; K506-E509 IonicContact NZ-OE2 2.65Å; K506-E509 PolarHBondContact O-N 3.44Å
507	P	83.9	Confident	90	Very high	96 Å²	96	60.1 Å²	60.1	62%	0.623	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	-13.4	-178	-25.6	36.4	0	0	0	115.2	P502	P502-P507 HydrophobicContact CB-CB 4.29Å
508	E	84.9	Confident	90	Very high	137 Å²	137	59.8 Å²	59.8	64%	0.64	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	-6.9	172.6	80.5	-67.5	169.4	0	0	114.3	K506	K506-E508 WeakPolarHBondContact CA-OE2 3.34Å; K506-E508 PolarHBondContact O-N 2.75Å
509	E	90.8	Very high	90	Very high	34 Å²	34	58.5 Å²	58.5	16%	0.159	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.4	169.7	-69.9	-170.9	-164.7	0	0	110.9	K503 K506	K503-E509 HydrophobicContact CD-CB 3.77Å; K503-E509 HydrophobicContact CG-CB 4.28Å; K503-E509 PolarHBondContact N-O 2.93Å; K503-E509 IonicContact NZ-OE2 2.67Å; K503-E509 PolarHBondContact NZ-OE2 2.71Å; K506-E509 HydrophobicContact CB-CB 4.17Å; K506-E509 HydrophobicContact CB-CG 4.32Å; K506-E509 VanDerWaalsContact CD-CD 3.42Å; K506-E509 HydrophobicContact CD-CG 3.97Å; K506-E509 VanDerWaalsContact CD-OE1 3.27Å; K506-E509 WeakPolarHBondContact CD-OE1 3.5Å; K506-E509 IonicContact NZ-OE1 3.04Å; K506-E509 PolarHBondContact NZ-OE1 2.78Å; K506-E509 IonicContact NZ-OE2 2.65Å; K506-E509 PolarHBondContact O-N 3.44Å
510	L	92.4	Very high	90.1	Very high	28 Å²	28	58.1 Å²	58.1	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.3	176	-68.7	176.4	0	0	0	111.5	F500 L501 K503 P532 I569	F500-L510 HydrophobicContact CB-CB 4.22Å; F500-L510 HydrophobicContact CB-CD1 4.15Å; F500-L510 HydrophobicContact CB-CD2 4.18Å; F500-L510 HydrophobicContact CB-CG 4.42Å; F500-L510 HydrophobicContact CG-CD1 4.47Å; L501-L510 CarbonylContact O-C 3.35Å; L501-L510 WeakPolarHBondContact O-CA 3.11Å; K503-L510 WeakPolarHBondContact CE-O 3.5Å; L510-P532 HydrophobicContact CD1-CB 4.07Å; L510-P532 HydrophobicContact CD1-CG 3.98Å; L510-I569 HydrophobicContact CB-CG2 4.2Å; L510-I569 HydrophobicContact CD1-CG2 3.89Å
511	E	92.6	Very high	90.1	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	166.9	165.1	61.6	-174.2	175.3	0	0	111.2	F500 L501 K503	F500-E511 CarbonylContact C-O 3.44Å; F500-E511 WeakPolarHBondContact CA-O 3.36Å; F500-E511 WeakPolarHBondContact CB-O 3.48Å; L501-E511 PolarHBondContact N-O 3.01Å; L501-E511 PolarHBondContact O-N 3.23Å; K503-E511 HydrophobicContact CG-CB 3.88Å; K503-E511 HydrophobicContact CG-CG 3.88Å
512	S	92.1	Very high	90.2	Very high	28 Å²	28	59.1 Å²	59.1	20%	0.196	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	130.5	-180	-59.3	0	0	0	0	110.5	H514 P516 L570	S512-H514 PolarHBondContact O-N 2.72Å; S512-P516 WeakPolarHBondContact OG-CA 3.37Å; S512-L570 WeakPolarHBondContact OG-CD1 3.39Å; S512-L570 WeakPolarHBondContact OG-CD2 3.42Å
513	A	90.9	Very high	90.5	Very high	36 Å²	36	61.4 Å²	61.4	30%	0.298	32%	0.317	S	S	.	.	S	Bend	trans	-64.6	-23.3	179.9	0	0	0	0	0	113.7	P498 L499 L501	P498-A513 WeakPolarHBondContact O-CB 3.35Å; L499-A513 PolarHBondContact O-N 3.01Å; L501-A513 HydrophobicContact CD1-CB 4.16Å; L501-A513 HydrophobicContact CG-CB 3.95Å
514	H	86.9	Confident	90.9	Very high	83 Å²	83	59.9 Å²	59.9	38%	0.384	31%	0.311	S	S	.	.	S	Bend	trans	-135.2	-61.5	174.9	178.2	-114.6	0	0	0	112	S512 H539	S512-H514 PolarHBondContact O-N 2.72Å; H514-H539 AromaticContact CD2-CE1 3.37Å; H514-H539 PolarHBondContact CD2-CE1 2.88Å; H514-H539 AromaticContact CD2-ND1 3.93Å; H514-H539 AromaticContact CD2-NE2 3.98Å; H514-H539 AromaticContact CE1-CE1 3.7Å; H514-H539 AromaticContact CE1-ND1 3.79Å; H514-H539 AromaticContact CG-CE1 3.32Å; H514-H539 AromaticContact CG-ND1 3.42Å; H514-H539 AromaticContact CG-NE2 3.98Å; H514-H539 AromaticContact ND1-CE1 3.55Å; H514-H539 AromaticContact ND1-ND1 3.33Å; H514-H539 PolarHBondContact ND1-ND1 3.05Å; H514-H539 AromaticContact NE2-CE1 3.65Å
515	H	89.1	Confident	91.6	Very high	24 Å²	24	53.7 Å²	53.7	11%	0.111	28%	0.279	C	S	.	.			trans	-157.1	157.1	173.3	66.1	43.7	0	0	0	111.8	Q257 F517 T518 S553 R555	Q257-H515 VanDerWaalsContact CD-NE2 3.3Å; Q257-H515 PolarHBondContact NE2-NE2 2.84Å; Q257-H515 PolarHBondContact OE1-NE2 2.93Å; H515-F517 VanDerWaalsContact CE1-CB 3.48Å; H515-F517 WeakPolarHBondContact CE1-CB 3.32Å; H515-F517 PolarHBondContact CE1-O 3Å; H515-F517 PolarHBondContact ND1-N 3.28Å; H515-F517 PolarHBondContact O-N 2.93Å; H515-T518 WeakPolarHBondContact CE1-CA 3.4Å; H515-T518 PolarHBondContact CE1-N 3.13Å; H515-T518 PolarHBondContact CE1-OG1 2.95Å; H515-T518 PolarHBondContact ND1-N 3.33Å; H515-T518 PolarHBondContact ND1-OG1 3.4Å; H515-T518 PolarHBondContact O-N 3.4Å; H515-S553 PolarHBondContact CE1-OG 3.31Å; H515-S553 PolarHBondContact NE2-OG 3.11Å; H515-R555 WeakPolarHBondContact CE1-CD 3.43Å; H515-R555 PolarHBondContact CE1-NH1 2.89Å; H515-R555 PolarHBondContact NE2-NE 2.94Å; H515-R555 PolarHBondContact NE2-NH1 3.31Å
516	P	92.4	Very high	92.2	Very high	16 Å²	16	52.2 Å²	52.2	10%	0.104	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.5	-174.9	25.9	-36.8	0	0	0	115.4	S512 Q562 L566 L570	S512-P516 WeakPolarHBondContact OG-CA 3.37Å; P516-Q562 PolarHBondContact O-NE2 3.19Å; P516-Q562 PolarHBondContact O-OE1 3.15Å; P516-L566 HydrophobicContact CB-CD2 3.95Å; P516-L570 HydrophobicContact CB-CD1 3.62Å
517	F	94.9	Very high	92.7	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.026	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2.6	-176.4	-43	-66.2	0	0	0	113.7	Q257 Q258 H515 R555 I556 L577 L580	Q257-F517 HydrophobicContact CG-CD2 3.75Å; Q257-F517 HydrophobicContact CG-CE2 3.97Å; Q258-F517 HydrophobicContact CG-CZ 4.45Å; H515-F517 VanDerWaalsContact CE1-CB 3.48Å; H515-F517 WeakPolarHBondContact CE1-CB 3.32Å; H515-F517 PolarHBondContact CE1-O 3Å; H515-F517 PolarHBondContact ND1-N 3.28Å; H515-F517 PolarHBondContact O-N 2.93Å; F517-R555 CarbonylContact O-C 3.54Å; F517-R555 VanDerWaalsContact O-CA 3.23Å; F517-R555 WeakPolarHBondContact O-CA 3.32Å; F517-I556 PolarHBondContact O-N 3.13Å; F517-L577 HydrophobicContact CE1-CD1 3.98Å; F517-L577 HydrophobicContact CE1-CD2 4.39Å; F517-L577 HydrophobicContact CZ-CD1 4.21Å; F517-L577 HydrophobicContact CZ-CD2 4.18Å; F517-L580 HydrophobicContact CD1-CD2 3.81Å; F517-L580 HydrophobicContact CE1-CD2 3.39Å; F517-L580 HydrophobicContact CZ-CD2 4.03Å
518	T	96.9	Very high	93.2	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-76.3	130.5	-175.6	-68.5	0	0	0	0	111.2	L499 H515 H539 S553 I556	L499-T518 HydrophobicContact CD1-CG2 3.57Å; L499-T518 WeakPolarHBondContact CD1-O 3.23Å; H515-T518 WeakPolarHBondContact CE1-CA 3.4Å; H515-T518 PolarHBondContact CE1-N 3.13Å; H515-T518 PolarHBondContact CE1-OG1 2.95Å; H515-T518 PolarHBondContact ND1-N 3.33Å; H515-T518 PolarHBondContact ND1-OG1 3.4Å; H515-T518 PolarHBondContact O-N 3.4Å; T518-H539 HydrophobicContact CG2-CB 4.13Å; T518-S553 WeakPolarHBondContact OG1-CB 3.24Å; T518-S553 PolarHBondContact OG1-OG 3.11Å; T518-I556 WeakPolarHBondContact O-CD1 3.15Å; T518-I556 WeakPolarHBondContact O-CG1 3.38Å
519	A	97.4	Very high	93.5	Very high	4 Å²	4	44 Å²	44	3%	0.033	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-69.8	142	175.9	0	0	0	0	0	111.5	G537 Q538 I554 I556	A519-G537 WeakPolarHBondContact O-CA 3.24Å; A519-Q538 PolarHBondContact O-N 3.44Å; A519-I554 HydrophobicContact CB-CB 4.43Å; A519-I554 HydrophobicContact CB-CG2 4.32Å; A519-I554 WeakPolarHBondContact CB-O 3.46Å; A519-I554 PolarHBondContact N-O 2.81Å; A519-I556 HydrophobicContact CB-CG1 4.47Å
520	P	97.3	Very high	93.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-64.5	158	167	30.9	-36.5	0	0	0	110.6	L499 V535 R536 Q538	L499-P520 HydrophobicContact CD2-CB 4.11Å; P520-V535 HydrophobicContact CB-CG1 3.59Å; P520-R536 CarbonylContact C-O 3.12Å; P520-R536 WeakPolarHBondContact CA-O 3.37Å; P520-Q538 PolarHBondContact O-NE2 2.7Å
521	Q	96.4	Very high	93.8	Very high	19 Å²	19	49.3 Å²	49.3	9%	0.089	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-59.3	142.3	164.9	-76.5	-65.3	17.3	0	0	110	D496 E523 D524 R525 R536 Q538	D496-Q521 PolarHBondContact OD1-NE2 3.06Å; Q521-E523 VanDerWaalsContact C-N 3.26Å; Q521-E523 PolarHBondContact O-N 3.33Å; Q521-D524 HydrophobicContact CB-CB 4.39Å; Q521-D524 PolarHBondContact O-N 3.27Å; Q521-R525 PolarHBondContact O-N 3.32Å; Q521-R536 HydrophobicContact CB-CB 4.33Å; Q521-R536 HydrophobicContact CG-CB 3.79Å; Q521-R536 PolarHBondContact N-O 3.37Å; Q521-Q538 HydrophobicContact CG-CG 4.45Å
522	P	94.4	Very high	93.9	Very high	74 Å²	74	46.7 Å²	46.7	48%	0.481	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-53.5	-38.9	-176.4	-28.6	35.5	0	0	0	114.4	D524	P522-D524 VanDerWaalsContact C-N 3.34Å
523	E	95.7	Very high	93.9	Very high	123 Å²	123	50.8 Å²	50.8	58%	0.575	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-66.3	-33.8	177.2	-42.4	84.1	-95.4	0	0	112.7	Q521 R536	Q521-E523 VanDerWaalsContact C-N 3.26Å; Q521-E523 PolarHBondContact O-N 3.33Å; E523-R536 IonicContact OE2-CZ 3.53Å; E523-R536 IonicContact OE2-NH1 2.75Å; E523-R536 PolarHBondContact OE2-NH1 3.23Å; E523-R536 IonicContact OE2-NH2 3.43Å; E523-R536 PolarHBondContact OE2-NH2 3.1Å
524	D	95.3	Very high	94	Very high	16 Å²	16	54.1 Å²	54.1	9%	0.086	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-90.4	-1.6	-171.3	-64.4	7.4	0	0	0	112.4	Q521 P522 E526 L527 L528 V535 R536	Q521-D524 HydrophobicContact CB-CB 4.39Å; Q521-D524 PolarHBondContact O-N 3.27Å; P522-D524 VanDerWaalsContact C-N 3.34Å; D524-E526 VanDerWaalsContact C-N 3.27Å; D524-E526 PolarHBondContact O-N 3.48Å; D524-E526 VanDerWaalsContact O-N 3.17Å; D524-L527 HydrophobicContact CB-CD1 4.44Å; D524-L527 WeakPolarHBondContact O-CA 3.33Å; D524-L527 WeakPolarHBondContact O-CB 3.4Å; D524-L527 PolarHBondContact O-N 3.43Å; D524-L528 PolarHBondContact O-N 2.86Å; D524-V535 HydrophobicContact CB-CG1 4.1Å; D524-R536 IonicContact OD1-CZ 2.73Å; D524-R536 IonicContact OD1-NE 2.75Å; D524-R536 IonicContact OD1-NH2 3.55Å; D524-R536 PolarHBondContact OD1-NH2 2.86Å; D524-R536 VanDerWaalsContact OD2-CB 3.28Å; D524-R536 WeakPolarHBondContact OD2-CB 3.29Å; D524-R536 WeakPolarHBondContact OD2-CG 3.46Å; D524-R536 IonicContact OD2-CZ 3.56Å; D524-R536 PolarHBondContact OD2-N 2.91Å; D524-R536 IonicContact OD2-NE 3.42Å; D524-R536 PolarHBondContact OD2-NE 2.74Å; D524-R536 IonicContact OD2-NH2 3.49Å; D524-R536 PolarHBondContact OD2-NH2 3.15Å
525	R	92.9	Very high	94.5	Very high	59 Å²	59	50.2 Å²	50.2	22%	0.223	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-54.6	-37.9	-174.9	172.5	174.3	-88.3	104.4	6.7	113.4	Q521 L527 L528 E561	Q521-R525 PolarHBondContact O-N 3.32Å; R525-L527 VanDerWaalsContact C-N 3.33Å; R525-L528 WeakPolarHBondContact O-CB 3.33Å; R525-L528 PolarHBondContact O-N 3.26Å; R525-E561 IonicContact CZ-OE1 2.87Å; R525-E561 IonicContact CZ-OE2 3.08Å; R525-E561 IonicContact NE-OE1 3.8Å; R525-E561 IonicContact NE-OE2 2.8Å; R525-E561 PolarHBondContact NE-OE2 3.25Å; R525-E561 IonicContact NH2-OE1 3.38Å; R525-E561 PolarHBondContact NH2-OE1 3.38Å; R525-E561 IonicContact NH2-OE2 3.6Å; R525-E561 PolarHBondContact NH2-OE2 3.41Å; R525-E561 VanDerWaalsContact NH2-OE2 3.1Å
526	E	93.6	Very high	94.9	Very high	134 Å²	134	52.3 Å²	52.3	63%	0.626	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-73.9	-24.9	179.3	-59.2	-55.1	136.8	0	0	112.8	D524 L528 F529 T530	D524-E526 VanDerWaalsContact C-N 3.27Å; D524-E526 PolarHBondContact O-N 3.48Å; D524-E526 VanDerWaalsContact O-N 3.17Å; E526-L528 PolarHBondContact O-N 3.44Å; E526-F529 PolarHBondContact O-N 2.76Å; E526-T530 PolarHBondContact O-OG1 3.23Å; E526-T530 VanDerWaalsContact O-OG1 3.06Å
527	L	95.2	Very high	95.1	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.267	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-68.6	-22.8	173.6	-58.7	177	0	0	0	111.6	D524 R525 F529 T530 E531 K534 V535	D524-L527 HydrophobicContact CB-CD1 4.44Å; D524-L527 WeakPolarHBondContact O-CA 3.33Å; D524-L527 WeakPolarHBondContact O-CB 3.4Å; D524-L527 PolarHBondContact O-N 3.43Å; R525-L527 VanDerWaalsContact C-N 3.33Å; L527-F529 PolarHBondContact O-N 3.27Å; L527-T530 WeakPolarHBondContact CA-OG1 3.24Å; L527-T530 PolarHBondContact O-N 2.8Å; L527-T530 VanDerWaalsContact O-N 3.14Å; L527-E531 CarbonylContact O-C 3.58Å; L527-E531 PolarHBondContact O-N 3.47Å; L527-K534 HydrophobicContact CD1-CB 4.27Å; L527-V535 HydrophobicContact CB-CG2 3.71Å
528	L	94	Very high	95.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-55.8	-32.9	174.9	-166.9	67.2	0	0	0	112.9	L499 F500 D524 R525 E526 V535 E561 V565 I569	L499-L528 HydrophobicContact CD2-CD1 4.07Å; F500-L528 HydrophobicContact CE2-CD1 3.73Å; F500-L528 HydrophobicContact CZ-CD1 4.12Å; D524-L528 PolarHBondContact O-N 2.86Å; R525-L528 WeakPolarHBondContact O-CB 3.33Å; R525-L528 PolarHBondContact O-N 3.26Å; E526-L528 PolarHBondContact O-N 3.44Å; L528-V535 HydrophobicContact CB-CG2 4.44Å; L528-E561 HydrophobicContact CD2-CG 4.06Å; L528-V565 HydrophobicContact CD1-CG2 4.16Å; L528-V565 HydrophobicContact CD2-CG2 4.23Å; L528-I569 HydrophobicContact CD1-CD1 3.54Å; L528-I569 HydrophobicContact CG-CD1 3.99Å
529	F	93.1	Very high	95.1	Very high	99 Å²	99	52.6 Å²	52.6	43%	0.434	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-95.9	-6.6	-177.2	-54.2	-67.4	0	0	0	113.9	E526 L527 H564	E526-F529 PolarHBondContact O-N 2.76Å; L527-F529 PolarHBondContact O-N 3.27Å; F529-H564 AromaticContact CD1-CE1 3.55Å; F529-H564 AromaticContact CD1-ND1 3.68Å; F529-H564 AromaticContact CD1-NE2 3.84Å; F529-H564 HydrophobicContact CE1-CB 4.34Å; F529-H564 AromaticContact CE1-CG 3.8Å; F529-H564 AromaticContact CE1-ND1 3.72Å
530	T	93.6	Very high	95.1	Very high	102 Å²	102	52.4 Å²	52.4	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.7	-49.6	-168.9	51.7	0	0	0	0	113.2	E526 L527	E526-T530 PolarHBondContact O-OG1 3.23Å; E526-T530 VanDerWaalsContact O-OG1 3.06Å; L527-T530 WeakPolarHBondContact CA-OG1 3.24Å; L527-T530 PolarHBondContact O-N 2.8Å; L527-T530 VanDerWaalsContact O-N 3.14Å
531	E	94.7	Very high	95.2	Very high	71 Å²	71	53.2 Å²	53.2	33%	0.332	26%	0.259	S	S	.	.			trans	-136.5	63.5	-178.4	-61.2	-160.5	96.3	0	0	111	L527 H533 K534	L527-E531 CarbonylContact O-C 3.58Å; L527-E531 PolarHBondContact O-N 3.47Å; E531-H533 PolarHBondContact O-N 3.22Å; E531-H533 IonicContact OE1-CE1 2.91Å; E531-K534 HydrophobicContact CB-CD 4.07Å; E531-K534 HydrophobicContact CB-CG 4.31Å; E531-K534 PolarHBondContact O-N 2.86Å; E531-K534 VanDerWaalsContact OE1-CE 3.27Å; E531-K534 WeakPolarHBondContact OE1-CE 3.32Å; E531-K534 IonicContact OE1-NZ 3.1Å; E531-K534 PolarHBondContact OE1-NZ 3.19Å; E531-K534 IonicContact OE2-NZ 3.78Å; E531-K534 PolarHBondContact OE2-NZ 3.44Å
532	P	94.5	Very high	95.3	Very high	30 Å²	30	52.3 Å²	52.3	20%	0.195	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.1	-25.1	-170.3	21.1	-33.6	0	0	0	113.9	F500 L510 K534 V535 I569	F500-P532 HydrophobicContact CD2-CB 4.23Å; F500-P532 WeakPolarHBondContact CD2-O 3.3Å; F500-P532 HydrophobicContact CE2-CB 4.34Å; L510-P532 HydrophobicContact CD1-CB 4.07Å; L510-P532 HydrophobicContact CD1-CG 3.98Å; P532-K534 PolarHBondContact O-N 3.04Å; P532-V535 PolarHBondContact O-N 2.55Å; P532-I569 HydrophobicContact CB-CD1 3.99Å; P532-I569 HydrophobicContact CB-CG1 4.41Å; P532-I569 HydrophobicContact CB-CG2 4.22Å
533	H	91.8	Very high	95.5	Very high	115 Å²	115	48.9 Å²	48.9	53%	0.532	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-65.2	-11.5	174.7	70	-84.9	0	0	0	114.6	E531	E531-H533 PolarHBondContact O-N 3.22Å; E531-H533 IonicContact OE1-CE1 2.91Å
534	K	94.3	Very high	95.6	Very high	105 Å²	105	43 Å²	43	46%	0.457	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-102.1	-8.7	176.8	-61.6	-177.5	-177.8	169.5	0	113.9	L527 E531 P532 R536	L527-K534 HydrophobicContact CD1-CB 4.27Å; E531-K534 HydrophobicContact CB-CD 4.07Å; E531-K534 HydrophobicContact CB-CG 4.31Å; E531-K534 PolarHBondContact O-N 2.86Å; E531-K534 VanDerWaalsContact OE1-CE 3.27Å; E531-K534 WeakPolarHBondContact OE1-CE 3.32Å; E531-K534 IonicContact OE1-NZ 3.1Å; E531-K534 PolarHBondContact OE1-NZ 3.19Å; E531-K534 IonicContact OE2-NZ 3.78Å; E531-K534 PolarHBondContact OE2-NZ 3.44Å; P532-K534 PolarHBondContact O-N 3.04Å; K534-R536 PolarHBondContact O-N 3.26Å
535	V	96.7	Very high	95.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-72.2	124.6	-173.7	178.5	0	0	0	0	110.1	L499 P520 D524 L527 L528 P532	L499-V535 HydrophobicContact CB-CB 4.25Å; L499-V535 HydrophobicContact CB-CG1 3.91Å; L499-V535 WeakPolarHBondContact CB-O 3.43Å; L499-V535 HydrophobicContact CD2-CB 4.45Å; L499-V535 HydrophobicContact CD2-CG1 3.6Å; L499-V535 HydrophobicContact CG-CG1 4.42Å; L499-V535 PolarHBondContact N-O 2.61Å; P520-V535 HydrophobicContact CB-CG1 3.59Å; D524-V535 HydrophobicContact CB-CG1 4.1Å; L527-V535 HydrophobicContact CB-CG2 3.71Å; L528-V535 HydrophobicContact CB-CG2 4.44Å; P532-V535 PolarHBondContact O-N 2.55Å
536	R	97.1	Very high	95.8	Very high	68 Å²	68	41.2 Å²	41.2	26%	0.257	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-79.8	144.5	165.3	-61.5	167	-65.7	140.7	4.2	110.1	D496 F497 P520 Q521 E523 D524 K534	D496-R536 IonicContact OD2-NH1 3.61Å; D496-R536 PolarHBondContact OD2-NH1 3.3Å; D496-R536 VanDerWaalsContact OD2-NH1 3.08Å; F497-R536 CarbonylContact O-C 3.6Å; F497-R536 VanDerWaalsContact O-CA 3.3Å; F497-R536 WeakPolarHBondContact O-CA 3.14Å; P520-R536 CarbonylContact C-O 3.12Å; P520-R536 WeakPolarHBondContact CA-O 3.37Å; Q521-R536 HydrophobicContact CB-CB 4.33Å; Q521-R536 HydrophobicContact CG-CB 3.79Å; Q521-R536 PolarHBondContact N-O 3.37Å; E523-R536 IonicContact OE2-CZ 3.53Å; E523-R536 IonicContact OE2-NH1 2.75Å; E523-R536 PolarHBondContact OE2-NH1 3.23Å; E523-R536 IonicContact OE2-NH2 3.43Å; E523-R536 PolarHBondContact OE2-NH2 3.1Å; D524-R536 IonicContact OD1-CZ 2.73Å; D524-R536 IonicContact OD1-NE 2.75Å; D524-R536 IonicContact OD1-NH2 3.55Å; D524-R536 PolarHBondContact OD1-NH2 2.86Å; D524-R536 VanDerWaalsContact OD2-CB 3.28Å; D524-R536 WeakPolarHBondContact OD2-CB 3.29Å; D524-R536 WeakPolarHBondContact OD2-CG 3.46Å; D524-R536 IonicContact OD2-CZ 3.56Å; D524-R536 PolarHBondContact OD2-N 2.91Å; D524-R536 IonicContact OD2-NE 3.42Å; D524-R536 PolarHBondContact OD2-NE 2.74Å; D524-R536 IonicContact OD2-NH2 3.49Å; D524-R536 PolarHBondContact OD2-NH2 3.15Å; K534-R536 PolarHBondContact O-N 3.26Å
537	G	96.8	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-96.9	151.6	172.1	0	0	0	0	0	111.8	F497 A519 H539	F497-G537 PolarHBondContact O-N 3.35Å; A519-G537 WeakPolarHBondContact O-CA 3.24Å; G537-H539 PolarHBondContact O-N 3.39Å
538	Q	97.3	Very high	96	Very high	27 Å²	27	37.6 Å²	37.6	13%	0.126	19%	0.191	C	C	.	.	S	Bend	trans	-74	48.6	164.2	-72.7	175.9	71.1	0	0	110.9	A519 P520 Q521 Y540 S553 I554	A519-Q538 PolarHBondContact O-N 3.44Å; P520-Q538 PolarHBondContact O-NE2 2.7Å; Q521-Q538 HydrophobicContact CG-CG 4.45Å; Q538-Y540 WeakPolarHBondContact O-CE1 3.27Å; Q538-S553 CarbonylContact O-C 3.53Å; Q538-S553 WeakPolarHBondContact O-CA 3.2Å; Q538-S553 WeakPolarHBondContact O-CB 3.32Å; Q538-I554 HydrophobicContact CB-CB 3.84Å; Q538-I554 HydrophobicContact CB-CG1 4.05Å; Q538-I554 PolarHBondContact O-N 3.37Å
539	H	94.9	Very high	96.2	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.6	176.4	177.5	63.5	0	0	0	110.4	F497 H514 T518 G537 D541 G552	F497-H539 HydrophobicContact CB-CB 4.4Å; F497-H539 AromaticContact CD1-CD2 3.96Å; F497-H539 AromaticContact CD2-CD2 3.48Å; F497-H539 VanDerWaalsContact CD2-CD2 3.48Å; F497-H539 WeakPolarHBondContact CD2-CD2 3.27Å; F497-H539 AromaticContact CE2-CD2 3.76Å; F497-H539 AromaticContact CG-CD2 3.58Å; H514-H539 AromaticContact CD2-CE1 3.37Å; H514-H539 PolarHBondContact CD2-CE1 2.88Å; H514-H539 AromaticContact CD2-ND1 3.93Å; H514-H539 AromaticContact CD2-NE2 3.98Å; H514-H539 AromaticContact CE1-CE1 3.7Å; H514-H539 AromaticContact CE1-ND1 3.79Å; H514-H539 AromaticContact CG-CE1 3.32Å; H514-H539 AromaticContact CG-ND1 3.42Å; H514-H539 AromaticContact CG-NE2 3.98Å; H514-H539 AromaticContact ND1-CE1 3.55Å; H514-H539 AromaticContact ND1-ND1 3.33Å; H514-H539 PolarHBondContact ND1-ND1 3.05Å; H514-H539 AromaticContact NE2-CE1 3.65Å; T518-H539 HydrophobicContact CG2-CB 4.13Å; G537-H539 PolarHBondContact O-N 3.39Å; H539-D541 IonicContact CD2-OD2 2.89Å; H539-D541 IonicContact CE1-OD1 2.64Å; H539-D541 PolarHBondContact CE1-OD1 3.39Å; H539-D541 VanDerWaalsContact CE1-OD1 3.26Å; H539-D541 IonicContact CE1-OD2 2.73Å; H539-D541 IonicContact NE2-OD1 3.83Å; H539-D541 PolarHBondContact NE2-OD1 2.83Å; H539-D541 IonicContact NE2-OD2 3.57Å; H539-D541 PolarHBondContact NE2-OD2 2.79Å; H539-G552 WeakPolarHBondContact CA-O 3.35Å; H539-G552 PolarHBondContact ND1-O 3.02Å
540	Y	98.1	Very high	96.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	131.5	-175.8	42.4	-93.9	0	0	0	111.2	Q303 I306 L307 W493 V494 Q538 G552 S553 I554 I594	Q303-Y540 HydrophobicContact CB-CD1 4.44Å; Q303-Y540 HydrophobicContact CB-CE1 4.25Å; Q303-Y540 HydrophobicContact CG-CD1 3.58Å; Q303-Y540 HydrophobicContact CG-CE1 3.84Å; Q303-Y540 HydrophobicContact CG-CG 4.37Å; I306-Y540 HydrophobicContact CB-CE2 4.28Å; I306-Y540 HydrophobicContact CG2-CE2 3.57Å; I306-Y540 WeakPolarHBondContact CG2-OH 3.42Å; L307-Y540 HydrophobicContact CD1-CD1 4.2Å; L307-Y540 HydrophobicContact CD1-CD2 3.64Å; L307-Y540 HydrophobicContact CD1-CE2 4.1Å; L307-Y540 HydrophobicContact CD1-CG 3.7Å; W493-Y540 HydrophobicContact CZ3-CD2 4.3Å; V494-Y540 CarbonylContact O-C 3.52Å; V494-Y540 VanDerWaalsContact O-CA 3.24Å; V494-Y540 WeakPolarHBondContact O-CA 3.39Å; Q538-Y540 WeakPolarHBondContact O-CE1 3.27Å; Y540-G552 WeakPolarHBondContact CD2-O 3.41Å; Y540-G552 VanDerWaalsContact CE2-C 3.44Å; Y540-G552 PolarHBondContact N-O 2.79Å; Y540-G552 PolarHBondContact O-N 3.31Å; Y540-S553 PolarHBondContact OH-N 2.82Å; Y540-S553 PolarHBondContact OH-O 3.14Å; Y540-I554 HydrophobicContact CE1-CD1 4.38Å; Y540-I554 HydrophobicContact CE1-CG1 4.4Å; Y540-I594 HydrophobicContact CE2-CB 4.44Å
541	D	98.5	Very high	96.6	Very high	17 Å²	17	28.9 Å²	28.9	9%	0.091	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.8	176.9	-72.4	-43.4	0	0	0	110.6	V494 F497 H539 G550 G551	V494-D541 PolarHBondContact N-O 2.89Å; V494-D541 PolarHBondContact O-N 3.02Å; F497-D541 HydrophobicContact CE2-CB 4.34Å; F497-D541 HydrophobicContact CZ-CB 4.11Å; F497-D541 WeakPolarHBondContact CZ-OD2 3.24Å; H539-D541 IonicContact CD2-OD2 2.89Å; H539-D541 IonicContact CE1-OD1 2.64Å; H539-D541 PolarHBondContact CE1-OD1 3.39Å; H539-D541 VanDerWaalsContact CE1-OD1 3.26Å; H539-D541 IonicContact CE1-OD2 2.73Å; H539-D541 IonicContact NE2-OD1 3.83Å; H539-D541 PolarHBondContact NE2-OD1 2.83Å; H539-D541 IonicContact NE2-OD2 3.57Å; H539-D541 PolarHBondContact NE2-OD2 2.79Å; D541-G550 WeakPolarHBondContact CA-O 3.16Å; D541-G551 WeakPolarHBondContact OD1-CA 3.41Å
542	L	98.8	Very high	96.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.1	170.9	-174.2	59.3	0	0	0	109.4	V310 L314 F329 F491 W493 I549 G550 L596	V310-L542 HydrophobicContact CG1-CD2 3.79Å; L314-L542 HydrophobicContact CD1-CD2 3.47Å; L314-L542 VanDerWaalsContact CD1-CD2 3.47Å; F329-L542 HydrophobicContact CD2-CD1 3.77Å; F329-L542 HydrophobicContact CE2-CD1 4.08Å; F329-L542 HydrophobicContact CE2-CD2 4.4Å; F491-L542 HydrophobicContact CD1-CD1 4.12Å; F491-L542 HydrophobicContact CD1-CD2 4.26Å; F491-L542 HydrophobicContact CD1-CG 4.32Å; W493-L542 HydrophobicContact CD2-CD1 3.86Å; W493-L542 HydrophobicContact CE3-CB 3.94Å; W493-L542 HydrophobicContact CE3-CD1 4.01Å; W493-L542 HydrophobicContact CG-CD1 4.47Å; W493-L542 HydrophobicContact CH2-CB 4.04Å; W493-L542 HydrophobicContact CH2-CD1 4.23Å; W493-L542 HydrophobicContact CH2-CD2 4.26Å; W493-L542 HydrophobicContact CH2-CG 4.41Å; W493-L542 HydrophobicContact CZ2-CD1 4.06Å; W493-L542 HydrophobicContact CZ2-CD2 4.44Å; W493-L542 HydrophobicContact CZ3-CB 3.62Å; W493-L542 HydrophobicContact CZ3-CD1 4.22Å; W493-L542 HydrophobicContact CZ3-CG 4.36Å; L542-I549 HydrophobicContact CB-CG1 4.25Å; L542-I549 HydrophobicContact CD2-CD1 3.75Å; L542-I549 HydrophobicContact CD2-CG1 4.13Å; L542-I549 HydrophobicContact CG-CD1 3.92Å; L542-I549 HydrophobicContact CG-CG1 3.9Å; L542-I549 VanDerWaalsContact O-CG1 3.25Å; L542-I549 WeakPolarHBondContact O-CG1 3.23Å; L542-I549 PolarHBondContact O-N 3.45Å; L542-G550 PolarHBondContact N-O 2.77Å; L542-G550 PolarHBondContact O-N 3.24Å; L542-L596 HydrophobicContact CD2-CD2 4.45Å
543	V	98.6	Very high	96.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	135	178.5	-177.1	0	0	0	0	109	K345 F491 L492 V494 S547	K345-V543 HydrophobicContact CB-CG1 4.08Å; K345-V543 HydrophobicContact CB-CG2 3.99Å; F491-V543 CarbonylContact C-O 3.07Å; F491-V543 WeakPolarHBondContact CA-O 3.35Å; L492-V543 HydrophobicContact CB-CB 4.35Å; L492-V543 PolarHBondContact N-O 3.03Å; L492-V543 PolarHBondContact O-N 2.8Å; V494-V543 HydrophobicContact CG2-CG2 3.99Å; V543-S547 WeakPolarHBondContact CA-O 3.3Å
544	L	97.9	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.2	171	173.2	58.8	0	0	0	108.9	F489 N490 F491 G546 S547 I549 L601 I604	F489-L544 HydrophobicContact CB-CD1 3.98Å; F489-L544 HydrophobicContact CD1-CD1 4.21Å; F489-L544 HydrophobicContact CD1-CD2 4.32Å; N490-L544 WeakPolarHBondContact O-CA 3.11Å; F491-L544 HydrophobicContact CD1-CB 4.29Å; F491-L544 HydrophobicContact CD1-CD1 4.19Å; F491-L544 HydrophobicContact CD2-CD1 3.91Å; F491-L544 HydrophobicContact CE1-CB 4.28Å; F491-L544 HydrophobicContact CE1-CD1 4.11Å; F491-L544 HydrophobicContact CE1-CD2 4Å; F491-L544 HydrophobicContact CE1-CG 4.35Å; F491-L544 HydrophobicContact CE2-CD1 3.8Å; F491-L544 HydrophobicContact CG-CD1 4.11Å; F491-L544 HydrophobicContact CZ-CD1 3.91Å; F491-L544 HydrophobicContact CZ-CD2 3.88Å; F491-L544 HydrophobicContact CZ-CG 4.4Å; L544-G546 PolarHBondContact O-N 2.98Å; L544-G546 VanDerWaalsContact O-N 3.14Å; L544-S547 PolarHBondContact N-O 3.25Å; L544-S547 WeakPolarHBondContact O-CB 3.24Å; L544-S547 PolarHBondContact O-N 2.78Å; L544-I549 HydrophobicContact CB-CD1 3.78Å; L544-I549 HydrophobicContact CB-CG1 4Å; L544-I549 HydrophobicContact CB-CG2 3.93Å; L544-I549 HydrophobicContact CD2-CD1 4.18Å; L544-I549 HydrophobicContact CD2-CG2 4.43Å; L544-L601 HydrophobicContact CD2-CD1 4.17Å; L544-I604 HydrophobicContact CD2-CB 4.31Å; L544-I604 HydrophobicContact CD2-CD1 4.25Å; L544-I604 HydrophobicContact CD2-CG2 3.75Å; L544-I604 HydrophobicContact CG-CD1 4.45Å; L544-I604 HydrophobicContact CG-CG2 4.12Å
545	N	96.4	Very high	97.4	Very high	17 Å²	17	14.2 Å²	14.2	9%	0.091	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	35.7	175.8	-68.1	-7.1	0	0	0	114.4	R349 S488 N490	R349-N545 WeakPolarHBondContact CD-OD1 3.24Å; S488-N545 PolarHBondContact O-ND2 2.81Å; N490-N545 PolarHBondContact N-OD1 2.9Å; N490-N545 PolarHBondContact O-N 3.47Å
546	G	95.9	Very high	97.4	Very high	20 Å²	20	14.1 Å²	14.1	21%	0.206	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	13.5	-176.3	0	0	0	0	0	115.3	K345 L544	K345-G546 CarbonylContact O-C 3.53Å; K345-G546 VanDerWaalsContact O-CA 3.32Å; K345-G546 WeakPolarHBondContact O-CA 3.1Å; L544-G546 PolarHBondContact O-N 2.98Å; L544-G546 VanDerWaalsContact O-N 3.14Å
547	S	96.1	Very high	97.4	Very high	45 Å²	45	13 Å²	13	32%	0.315	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.5	171.6	-62.9	0	0	0	0	109.8	V543 L544 I549	V543-S547 WeakPolarHBondContact CA-O 3.3Å; L544-S547 PolarHBondContact N-O 3.25Å; L544-S547 WeakPolarHBondContact O-CB 3.24Å; L544-S547 PolarHBondContact O-N 2.78Å; S547-I549 PolarHBondContact O-N 3.17Å
548	E	97	Very high	97.4	Very high	64 Å²	64	17.4 Å²	17.4	30%	0.299	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	115	162.3	164.6	-137.6	115.1	0	0	108.9	K345 R600	K345-E548 HydrophobicContact CB-CB 4.38Å; K345-E548 HydrophobicContact CD-CB 4.02Å; K345-E548 IonicContact NZ-OE2 3.11Å; E548-R600 WeakPolarHBondContact O-CD 3.41Å; E548-R600 PolarHBondContact O-NH1 3.48Å; E548-R600 IonicContact OE1-CZ 3.26Å; E548-R600 IonicContact OE1-NH1 2.71Å; E548-R600 PolarHBondContact OE1-NH1 2.58Å
549	I	97.5	Very high	97.4	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-5.7	177.7	54.7	159.2	0	0	0	113	F491 L542 L544 S547 L596 G597 R600 L601 I604	F491-I549 HydrophobicContact CD1-CD1 4.08Å; F491-I549 HydrophobicContact CE1-CD1 3.6Å; L542-I549 HydrophobicContact CB-CG1 4.25Å; L542-I549 HydrophobicContact CD2-CD1 3.75Å; L542-I549 HydrophobicContact CD2-CG1 4.13Å; L542-I549 HydrophobicContact CG-CD1 3.92Å; L542-I549 HydrophobicContact CG-CG1 3.9Å; L542-I549 VanDerWaalsContact O-CG1 3.25Å; L542-I549 WeakPolarHBondContact O-CG1 3.23Å; L542-I549 PolarHBondContact O-N 3.45Å; L544-I549 HydrophobicContact CB-CD1 3.78Å; L544-I549 HydrophobicContact CB-CG1 4Å; L544-I549 HydrophobicContact CB-CG2 3.93Å; L544-I549 HydrophobicContact CD2-CD1 4.18Å; L544-I549 HydrophobicContact CD2-CG2 4.43Å; S547-I549 PolarHBondContact O-N 3.17Å; I549-L596 CarbonylContact O-C 3.59Å; I549-L596 WeakPolarHBondContact O-CA 3.47Å; I549-G597 PolarHBondContact O-N 2.88Å; I549-R600 HydrophobicContact CG2-CG 4.45Å; I549-L601 HydrophobicContact CD1-CD1 4.08Å; I549-I604 HydrophobicContact CG2-CD1 3.66Å
550	G	97.5	Very high	97.5	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	157.2	169.1	0	0	0	0	0	111.7	D541 L542 A595	D541-G550 WeakPolarHBondContact CA-O 3.16Å; L542-G550 PolarHBondContact N-O 2.77Å; L542-G550 PolarHBondContact O-N 3.24Å; G550-A595 WeakPolarHBondContact CA-O 3.48Å
551	G	97.4	Very high	97.4	Very high	13 Å²	13	21.3 Å²	21.3	13%	0.134	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.5	-177.6	0	0	0	0	0	111.8	D541 I594 A595	D541-G551 WeakPolarHBondContact OD1-CA 3.41Å; G551-I594 WeakPolarHBondContact O-CA 3.38Å; G551-I594 WeakPolarHBondContact O-CG1 3.32Å; G551-A595 PolarHBondContact N-O 2.86Å; G551-A595 PolarHBondContact O-N 3.34Å
552	G	97.6	Very high	97.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	162.4	-169.4	0	0	0	0	0	113.7	H539 Y540 G593	H539-G552 WeakPolarHBondContact CA-O 3.35Å; H539-G552 PolarHBondContact ND1-O 3.02Å; Y540-G552 WeakPolarHBondContact CD2-O 3.41Å; Y540-G552 VanDerWaalsContact CE2-C 3.44Å; Y540-G552 PolarHBondContact N-O 2.79Å; Y540-G552 PolarHBondContact O-N 3.31Å; G552-G593 CarbonylContact C-O 3.45Å; G552-G593 WeakPolarHBondContact CA-O 3.46Å
553	S	98.1	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	160.3	177.3	66.5	0	0	0	0	112.7	H515 T518 Q538 Y540 R555 G592 G593	H515-S553 PolarHBondContact CE1-OG 3.31Å; H515-S553 PolarHBondContact NE2-OG 3.11Å; T518-S553 WeakPolarHBondContact OG1-CB 3.24Å; T518-S553 PolarHBondContact OG1-OG 3.11Å; Q538-S553 CarbonylContact O-C 3.53Å; Q538-S553 WeakPolarHBondContact O-CA 3.2Å; Q538-S553 WeakPolarHBondContact O-CB 3.32Å; Y540-S553 PolarHBondContact OH-N 2.82Å; Y540-S553 PolarHBondContact OH-O 3.14Å; S553-R555 PolarHBondContact O-NE 3.4Å; S553-R555 PolarHBondContact O-NH1 2.75Å; S553-R555 PolarHBondContact OG-NH1 3.36Å; S553-G592 WeakPolarHBondContact O-CA 3.37Å; S553-G593 PolarHBondContact N-O 2.8Å; S553-G593 PolarHBondContact O-N 2.85Å
554	I	98.6	Very high	97.1	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.056	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.9	161.4	-54	-50.1	0	0	0	108.4	V301 Q303 A519 Q538 Y540	V301-I554 HydrophobicContact CG1-CD1 4.26Å; Q303-I554 HydrophobicContact CB-CG1 4.37Å; A519-I554 HydrophobicContact CB-CB 4.43Å; A519-I554 HydrophobicContact CB-CG2 4.32Å; A519-I554 WeakPolarHBondContact CB-O 3.46Å; A519-I554 PolarHBondContact N-O 2.81Å; Q538-I554 HydrophobicContact CB-CB 3.84Å; Q538-I554 HydrophobicContact CB-CG1 4.05Å; Q538-I554 PolarHBondContact O-N 3.37Å; Y540-I554 HydrophobicContact CE1-CD1 4.38Å; Y540-I554 HydrophobicContact CE1-CG1 4.4Å
555	R	98	Very high	97	Very high	1 Å²	1	26.3 Å²	26.3	0%	0.004	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-99.5	152.2	-171.4	-46	-52.6	-177.8	-150.7	-11.7	113.3	Q261 E297 H515 F517 S553 H557 H591 G593	Q261-R555 HydrophobicContact CG-CG 4.32Å; E297-R555 VanDerWaalsContact OE1-CG 3.3Å; E297-R555 WeakPolarHBondContact OE1-CG 3.28Å; E297-R555 IonicContact OE1-CZ 2.71Å; E297-R555 IonicContact OE1-NE 2.7Å; E297-R555 PolarHBondContact OE1-NE 2.61Å; E297-R555 IonicContact OE1-NH2 2.71Å; E297-R555 PolarHBondContact OE1-NH2 2.67Å; E297-R555 IonicContact OE2-CZ 2.69Å; E297-R555 IonicContact OE2-NE 3.59Å; E297-R555 IonicContact OE2-NH2 3.36Å; E297-R555 PolarHBondContact OE2-NH2 2.95Å; H515-R555 WeakPolarHBondContact CE1-CD 3.43Å; H515-R555 PolarHBondContact CE1-NH1 2.89Å; H515-R555 PolarHBondContact NE2-NE 2.94Å; H515-R555 PolarHBondContact NE2-NH1 3.31Å; F517-R555 CarbonylContact O-C 3.54Å; F517-R555 VanDerWaalsContact O-CA 3.23Å; F517-R555 WeakPolarHBondContact O-CA 3.32Å; S553-R555 PolarHBondContact O-NE 3.4Å; S553-R555 PolarHBondContact O-NH1 2.75Å; S553-R555 PolarHBondContact OG-NH1 3.36Å; R555-H557 PolarHBondContact O-N 3.16Å; R555-H557 VanDerWaalsContact O-N 3.12Å; R555-H591 WeakPolarHBondContact CB-NE2 3.26Å; R555-H591 VanDerWaalsContact CG-CD2 3.42Å; R555-H591 WeakPolarHBondContact CG-CD2 3.32Å; R555-H591 PolarHBondContact N-O 3.33Å; R555-G593 PolarHBondContact NH1-O 2.95Å; R555-G593 PolarHBondContact NH2-O 3.15Å
556	I	97.7	Very high	96.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.			trans	-70	104.6	166.9	-57.1	172.1	0	0	0	108.7	F517 T518 A519 K558 E561 Q562 V565	F517-I556 PolarHBondContact O-N 3.13Å; T518-I556 WeakPolarHBondContact O-CD1 3.15Å; T518-I556 WeakPolarHBondContact O-CG1 3.38Å; A519-I556 HydrophobicContact CB-CG1 4.47Å; I556-K558 WeakPolarHBondContact CG2-O 3.36Å; I556-E561 HydrophobicContact CG2-CB 3.7Å; I556-E561 HydrophobicContact CG2-CG 3.9Å; I556-Q562 HydrophobicContact CB-CB 4.46Å; I556-Q562 HydrophobicContact CG2-CB 3.88Å; I556-V565 HydrophobicContact CD1-CB 4.46Å; I556-V565 HydrophobicContact CD1-CG2 3.86Å
557	H	97.3	Very high	96.8	Very high	45 Å²	45	30.7 Å²	30.7	21%	0.208	16%	0.164	C	C	.	.			trans	-87.4	-3.8	177.6	57.9	-87	0	0	0	113.6	R555 A588 P589	R555-H557 PolarHBondContact O-N 3.16Å; R555-H557 VanDerWaalsContact O-N 3.12Å; H557-A588 HydrophobicContact CB-CB 4.39Å; H557-P589 VanDerWaalsContact CB-O 3.26Å; H557-P589 WeakPolarHBondContact CB-O 3.38Å
558	K	97.1	Very high	96.8	Very high	91 Å²	91	32.6 Å²	32.6	40%	0.396	17%	0.17	S	C	.	.			trans	-104.8	119.4	-178.6	-64.1	178.6	-175.9	172.7	0	111	I556 S560 E561 Q562	I556-K558 WeakPolarHBondContact CG2-O 3.36Å; K558-S560 PolarHBondContact O-N 3.22Å; K558-E561 HydrophobicContact CB-CB 3.91Å; K558-E561 PolarHBondContact O-N 3.02Å; K558-E561 VanDerWaalsContact O-N 3.15Å; K558-Q562 PolarHBondContact O-N 2.94Å
559	A	97.3	Very high	96.6	Very high	14 Å²	14	30.1 Å²	30.1	12%	0.116	16%	0.159	C	C	.	.	H	α-helix	trans	-55.7	-37.4	179.6	0	0	0	0	0	113.2	L563 L581 L584 D585	A559-L563 WeakPolarHBondContact O-CB 3.32Å; A559-L563 PolarHBondContact O-N 2.95Å; A559-L581 WeakPolarHBondContact CB-O 3.43Å; A559-L584 HydrophobicContact CB-CB 3.9Å; A559-D585 HydrophobicContact CB-CB 3.87Å
560	S	96.6	Very high	96.4	Very high	89 Å²	89	30.4 Å²	30.4	62%	0.622	16%	0.161	S	C	*	.	H	α-helix	trans	-68.7	-39.4	178.1	53.8	0	0	0	0	114	K558 H564	K558-S560 PolarHBondContact O-N 3.22Å; S560-H564 PolarHBondContact O-N 3.28Å; S560-H564 VanDerWaalsContact O-N 3.1Å
561	E	96.2	Very high	96.1	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.056	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-44.5	175.6	-166.8	168.7	112.3	0	0	109.3	R525 L528 I556 K558 L563 H564 V565	R525-E561 IonicContact CZ-OE1 2.87Å; R525-E561 IonicContact CZ-OE2 3.08Å; R525-E561 IonicContact NE-OE1 3.8Å; R525-E561 IonicContact NE-OE2 2.8Å; R525-E561 PolarHBondContact NE-OE2 3.25Å; R525-E561 IonicContact NH2-OE1 3.38Å; R525-E561 PolarHBondContact NH2-OE1 3.38Å; R525-E561 IonicContact NH2-OE2 3.6Å; R525-E561 PolarHBondContact NH2-OE2 3.41Å; R525-E561 VanDerWaalsContact NH2-OE2 3.1Å; L528-E561 HydrophobicContact CD2-CG 4.06Å; I556-E561 HydrophobicContact CG2-CB 3.7Å; I556-E561 HydrophobicContact CG2-CG 3.9Å; K558-E561 HydrophobicContact CB-CB 3.91Å; K558-E561 PolarHBondContact O-N 3.02Å; K558-E561 VanDerWaalsContact O-N 3.15Å; E561-L563 PolarHBondContact O-N 3.35Å; E561-H564 PolarHBondContact O-N 2.96Å; E561-V565 WeakPolarHBondContact O-CG2 3.48Å; E561-V565 PolarHBondContact O-N 2.84Å; E561-V565 VanDerWaalsContact O-N 3.12Å
562	Q	96.5	Very high	95.8	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-41.2	177.3	-173.9	61.6	81.3	0	0	112.9	P516 I556 K558 H564 V565 L566 L581 L584	P516-Q562 PolarHBondContact O-NE2 3.19Å; P516-Q562 PolarHBondContact O-OE1 3.15Å; I556-Q562 HydrophobicContact CB-CB 4.46Å; I556-Q562 HydrophobicContact CG2-CB 3.88Å; K558-Q562 PolarHBondContact O-N 2.94Å; Q562-H564 VanDerWaalsContact C-N 3.33Å; Q562-V565 PolarHBondContact O-N 3.08Å; Q562-L566 HydrophobicContact CG-CD1 4.2Å; Q562-L566 WeakPolarHBondContact O-CG 3.28Å; Q562-L566 PolarHBondContact O-N 2.89Å; Q562-L581 HydrophobicContact CB-CD2 3.91Å; Q562-L581 HydrophobicContact CG-CD2 3.7Å; Q562-L584 HydrophobicContact CB-CD1 3.92Å; Q562-L584 HydrophobicContact CG-CD1 4.02Å
563	L	96.4	Very high	95.4	Very high	74 Å²	74	42.6 Å²	42.6	39%	0.387	21%	0.214	S	C	.	.	H	α-helix	trans	-65.1	-36.6	176.3	178.3	61.4	0	0	0	111.7	A559 E561 K567 P574 L581	A559-L563 WeakPolarHBondContact O-CB 3.32Å; A559-L563 PolarHBondContact O-N 2.95Å; E561-L563 PolarHBondContact O-N 3.35Å; L563-K567 HydrophobicContact CD1-CB 4.47Å; L563-K567 WeakPolarHBondContact O-CB 3.29Å; L563-K567 PolarHBondContact O-N 2.65Å; L563-P574 HydrophobicContact CD1-CB 3.67Å; L563-P574 HydrophobicContact CD1-CG 3.65Å; L563-L581 HydrophobicContact CB-CD2 4.44Å; L563-L581 HydrophobicContact CD1-CD1 4.34Å
564	H	96.2	Very high	95	Very high	47 Å²	47	43.9 Å²	43.9	22%	0.218	22%	0.223	C	C	.	.	H	α-helix	trans	-63.6	-47.7	174.2	-172.3	101.6	0	0	0	111.1	F529 S560 E561 Q562 N568	F529-H564 AromaticContact CD1-CE1 3.55Å; F529-H564 AromaticContact CD1-ND1 3.68Å; F529-H564 AromaticContact CD1-NE2 3.84Å; F529-H564 HydrophobicContact CE1-CB 4.34Å; F529-H564 AromaticContact CE1-CG 3.8Å; F529-H564 AromaticContact CE1-ND1 3.72Å; S560-H564 PolarHBondContact O-N 3.28Å; S560-H564 VanDerWaalsContact O-N 3.1Å; E561-H564 PolarHBondContact O-N 2.96Å; Q562-H564 VanDerWaalsContact C-N 3.33Å; H564-N568 PolarHBondContact CE1-ND2 2.88Å; H564-N568 VanDerWaalsContact CE1-ND2 3.32Å; H564-N568 PolarHBondContact ND1-ND2 3.17Å; H564-N568 WeakPolarHBondContact O-CB 3.24Å; H564-N568 PolarHBondContact O-N 2.85Å
565	V	95.7	Very high	94.6	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.241	C	C	.	.	I	π-helix	trans	-57.1	-53.3	178.4	169.7	0	0	0	0	111.4	F500 L528 I556 E561 Q562 I569 L570	F500-V565 HydrophobicContact CE1-CG1 3.97Å; F500-V565 HydrophobicContact CZ-CG1 3.93Å; F500-V565 HydrophobicContact CZ-CG2 4.25Å; L528-V565 HydrophobicContact CD1-CG2 4.16Å; L528-V565 HydrophobicContact CD2-CG2 4.23Å; I556-V565 HydrophobicContact CD1-CB 4.46Å; I556-V565 HydrophobicContact CD1-CG2 3.86Å; E561-V565 WeakPolarHBondContact O-CG2 3.48Å; E561-V565 PolarHBondContact O-N 2.84Å; E561-V565 VanDerWaalsContact O-N 3.12Å; Q562-V565 PolarHBondContact O-N 3.08Å; V565-I569 HydrophobicContact CG2-CD1 4.35Å; V565-I569 WeakPolarHBondContact O-CB 3.41Å; V565-I569 PolarHBondContact O-N 2.6Å; V565-L570 HydrophobicContact CG1-CD1 3.73Å; V565-L570 HydrophobicContact CG1-CG 4.21Å; V565-L570 WeakPolarHBondContact O-CG 3.44Å; V565-L570 PolarHBondContact O-N 2.96Å
566	L	94.3	Very high	94.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.258	C	S	.	.	I	π-helix	trans	-61.1	-54.2	-179.5	-68	169.5	0	0	0	111.7	P516 Q562 L570 K571 E572 L577 L581	P516-L566 HydrophobicContact CB-CD2 3.95Å; Q562-L566 HydrophobicContact CG-CD1 4.2Å; Q562-L566 WeakPolarHBondContact O-CG 3.28Å; Q562-L566 PolarHBondContact O-N 2.89Å; L566-L570 HydrophobicContact CD2-CD1 4.5Å; L566-K571 PolarHBondContact O-N 3.47Å; L566-E572 WeakPolarHBondContact CD2-OE2 3.31Å; L566-E572 PolarHBondContact O-N 3.26Å; L566-L577 HydrophobicContact CD1-CB 4.39Å; L566-L577 HydrophobicContact CD1-CD1 3.74Å; L566-L577 HydrophobicContact CD2-CD1 3.74Å; L566-L577 HydrophobicContact CG-CD1 4.42Å; L566-L581 HydrophobicContact CD1-CD1 4.5Å; L566-L581 HydrophobicContact CD1-CD2 4.47Å
567	K	94.4	Very high	93.9	Very high	129 Å²	129	48.7 Å²	48.7	56%	0.561	26%	0.258	S	S	*	.	I	π-helix	trans	-78.5	-41.1	-167.7	-172.2	179.4	176.3	179.9	0	113.9	L563 P574	L563-K567 HydrophobicContact CD1-CB 4.47Å; L563-K567 WeakPolarHBondContact O-CB 3.29Å; L563-K567 PolarHBondContact O-N 2.65Å; K567-P574 HydrophobicContact CB-CG 4.03Å; K567-P574 HydrophobicContact CG-CG 4.44Å
568	N	94.4	Very high	93.7	Very high	84 Å²	84	48.8 Å²	48.8	45%	0.449	26%	0.264	S	S	.	.	I	π-helix	trans	-102.6	-35.9	-166.8	-53.9	-36.2	0	0	0	112.5	H564	H564-N568 PolarHBondContact CE1-ND2 2.88Å; H564-N568 VanDerWaalsContact CE1-ND2 3.32Å; H564-N568 PolarHBondContact ND1-ND2 3.17Å; H564-N568 WeakPolarHBondContact O-CB 3.24Å; H564-N568 PolarHBondContact O-N 2.85Å
569	I	94.1	Very high	93.6	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.062	26%	0.256	C	S	.	.	I	π-helix	trans	-89.4	-60.6	-179	-54.6	177.7	0	0	0	110.1	F500 L510 L528 P532 V565	F500-I569 HydrophobicContact CD1-CG2 4.04Å; F500-I569 HydrophobicContact CD2-CG2 4.16Å; F500-I569 HydrophobicContact CE1-CG2 3.89Å; F500-I569 HydrophobicContact CE2-CD1 3.81Å; F500-I569 HydrophobicContact CE2-CG2 3.99Å; F500-I569 HydrophobicContact CG-CG2 4.18Å; F500-I569 HydrophobicContact CZ-CB 4.42Å; F500-I569 HydrophobicContact CZ-CD1 3.8Å; F500-I569 HydrophobicContact CZ-CG2 3.87Å; L510-I569 HydrophobicContact CB-CG2 4.2Å; L510-I569 HydrophobicContact CD1-CG2 3.89Å; L528-I569 HydrophobicContact CD1-CD1 3.54Å; L528-I569 HydrophobicContact CG-CD1 3.99Å; P532-I569 HydrophobicContact CB-CD1 3.99Å; P532-I569 HydrophobicContact CB-CG1 4.41Å; P532-I569 HydrophobicContact CB-CG2 4.22Å; V565-I569 HydrophobicContact CG2-CD1 4.35Å; V565-I569 WeakPolarHBondContact O-CB 3.41Å; V565-I569 PolarHBondContact O-N 2.6Å
570	L	92.8	Very high	93.5	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.047	25%	0.251	C	S	.	.	I	π-helix	trans	-79.3	-21.8	-175.1	-59.5	173.9	0	0	0	113.5	F500 S512 P516 V565 L566 E572	F500-L570 HydrophobicContact CD1-CD2 3.84Å; F500-L570 HydrophobicContact CE1-CD2 3.85Å; F500-L570 HydrophobicContact CE1-CG 4.19Å; S512-L570 WeakPolarHBondContact OG-CD1 3.39Å; S512-L570 WeakPolarHBondContact OG-CD2 3.42Å; P516-L570 HydrophobicContact CB-CD1 3.62Å; V565-L570 HydrophobicContact CG1-CD1 3.73Å; V565-L570 HydrophobicContact CG1-CG 4.21Å; V565-L570 WeakPolarHBondContact O-CG 3.44Å; V565-L570 PolarHBondContact O-N 2.96Å; L566-L570 HydrophobicContact CD2-CD1 4.5Å; L570-E572 VanDerWaalsContact C-N 3.27Å; L570-E572 HydrophobicContact CB-CG 4.02Å; L570-E572 PolarHBondContact O-N 2.94Å
571	K	92.1	Very high	93.5	Very high	127 Å²	127	43 Å²	43	55%	0.552	23%	0.227	S	C	*	.			trans	62.4	30.8	-177.8	-51.5	169.3	-171	169.3	0	113	L566	L566-K571 PolarHBondContact O-N 3.47Å
572	E	89.8	Confident	93.5	Very high	48 Å²	48	48 Å²	48	22%	0.224	25%	0.25	C	S	.	.			trans	-85.3	157.3	175.2	-63.6	-168.7	149	0	0	111.9	L566 L570 P574	L566-E572 WeakPolarHBondContact CD2-OE2 3.31Å; L566-E572 PolarHBondContact O-N 3.26Å; L570-E572 VanDerWaalsContact C-N 3.27Å; L570-E572 HydrophobicContact CB-CG 4.02Å; L570-E572 PolarHBondContact O-N 2.94Å; E572-P574 VanDerWaalsContact O-CD 3.24Å; E572-P574 WeakPolarHBondContact O-CD 3.4Å
573	D	90.3	Very high	93.6	Very high	97 Å²	97	48.7 Å²	48.7	52%	0.519	26%	0.256	S	S	.	.			trans	-76.1	113.6	173.9	173.8	24.5	0	0	0	111.3	G575 L576	D573-G575 PolarHBondContact O-N 2.9Å; D573-G575 PolarHBondContact OD1-N 3.09Å; D573-L576 HydrophobicContact CB-CD1 4.39Å; D573-L576 HydrophobicContact CB-CG 4.31Å; D573-L576 PolarHBondContact O-N 3.44Å
574	P	90	Very high	93.7	Very high	27 Å²	27	45.5 Å²	45.5	18%	0.175	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-66	-19.1	177.4	-18	33.7	0	0	0	113.2	L563 K567 E572 L576 L577 S578 L581	L563-P574 HydrophobicContact CD1-CB 3.67Å; L563-P574 HydrophobicContact CD1-CG 3.65Å; K567-P574 HydrophobicContact CB-CG 4.03Å; K567-P574 HydrophobicContact CG-CG 4.44Å; E572-P574 VanDerWaalsContact O-CD 3.24Å; E572-P574 WeakPolarHBondContact O-CD 3.4Å; P574-L576 PolarHBondContact O-N 2.89Å; P574-L577 CarbonylContact O-C 3.51Å; P574-L577 PolarHBondContact O-N 3.47Å; P574-S578 PolarHBondContact O-N 2.84Å; P574-S578 VanDerWaalsContact O-N 3.14Å; P574-L581 HydrophobicContact CB-CD1 3.92Å
575	G	90.3	Very high	93.7	Very high	43 Å²	43	49.6 Å²	49.6	44%	0.443	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-60.9	-28	176	0	0	0	0	0	113.4	D573 L577	D573-G575 PolarHBondContact O-N 2.9Å; D573-G575 PolarHBondContact OD1-N 3.09Å; G575-L577 PolarHBondContact O-N 2.85Å
576	L	87.8	Confident	93.8	Very high	69 Å²	69	54 Å²	54	36%	0.361	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.1	-22.8	172.4	-63.5	176.4	0	0	0	112.8	K230 P233 D573 P574	K230-L576 WeakPolarHBondContact CE-O 3.46Å; K230-L576 PolarHBondContact NZ-O 3.39Å; P233-L576 HydrophobicContact CB-CD1 3.92Å; P233-L576 HydrophobicContact CG-CB 4.33Å; P233-L576 HydrophobicContact CG-CD1 4.26Å; D573-L576 HydrophobicContact CB-CD1 4.39Å; D573-L576 HydrophobicContact CB-CG 4.31Å; D573-L576 PolarHBondContact O-N 3.44Å; P574-L576 PolarHBondContact O-N 2.89Å
577	L	92.1	Very high	94	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-123.3	17.6	-174	-66.7	169.4	0	0	0	113.3	P233 F517 L566 P574 G575 H579 L580 L581	P233-L577 HydrophobicContact CG-CD1 3.76Å; P233-L577 HydrophobicContact CG-CG 4.08Å; F517-L577 HydrophobicContact CE1-CD1 3.98Å; F517-L577 HydrophobicContact CE1-CD2 4.39Å; F517-L577 HydrophobicContact CZ-CD1 4.21Å; F517-L577 HydrophobicContact CZ-CD2 4.18Å; L566-L577 HydrophobicContact CD1-CB 4.39Å; L566-L577 HydrophobicContact CD1-CD1 3.74Å; L566-L577 HydrophobicContact CD2-CD1 3.74Å; L566-L577 HydrophobicContact CG-CD1 4.42Å; P574-L577 CarbonylContact O-C 3.51Å; P574-L577 PolarHBondContact O-N 3.47Å; G575-L577 PolarHBondContact O-N 2.85Å; L577-H579 VanDerWaalsContact C-N 3.3Å; L577-H579 PolarHBondContact O-N 2.99Å; L577-L580 WeakPolarHBondContact O-CB 3.31Å; L577-L580 PolarHBondContact O-N 2.82Å; L577-L581 PolarHBondContact O-N 3.43Å
578	S	93.4	Very high	94.1	Very high	47 Å²	47	51.4 Å²	51.4	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-54.5	-44.5	-176.3	86.8	0	0	0	0	112.5	P574 L580 L581 E582	P574-S578 PolarHBondContact O-N 2.84Å; P574-S578 VanDerWaalsContact O-N 3.14Å; S578-L580 PolarHBondContact O-N 2.67Å; S578-L580 VanDerWaalsContact O-N 3.13Å; S578-L581 PolarHBondContact O-N 3.15Å; S578-E582 VanDerWaalsContact C-OE1 3.22Å; S578-E582 VanDerWaalsContact CB-OE1 3.22Å; S578-E582 WeakPolarHBondContact CB-OE1 3.49Å; S578-E582 WeakPolarHBondContact O-CB 3.39Å; S578-E582 WeakPolarHBondContact O-CG 3.48Å; S578-E582 PolarHBondContact O-N 3.11Å; S578-E582 PolarHBondContact OG-OE1 3.02Å
579	H	94.5	Very high	94.3	Very high	48 Å²	48	48.1 Å²	48.1	22%	0.222	29%	0.285	C	S	.	.	H	α-helix	trans	-59.2	-25.5	177.7	65.3	-82.9	0	0	0	113.9	K230 Q258 L577 A583	K230-H579 PolarHBondContact NZ-CE1 2.86Å; K230-H579 VanDerWaalsContact NZ-CE1 3.29Å; K230-H579 PolarHBondContact NZ-ND1 2.79Å; Q258-H579 PolarHBondContact OE1-CE1 2.84Å; Q258-H579 VanDerWaalsContact OE1-CE1 3.26Å; Q258-H579 PolarHBondContact OE1-NE2 3.2Å; L577-H579 VanDerWaalsContact C-N 3.3Å; L577-H579 PolarHBondContact O-N 2.99Å; H579-A583 WeakPolarHBondContact O-CB 3.44Å
580	L	95.4	Very high	94.5	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-86.2	-41.7	174.1	-178.5	63.4	0	0	0	110.6	Q261 L262 F517 L577 S578 A583 L584	Q261-L580 HydrophobicContact CB-CD1 4.15Å; L262-L580 HydrophobicContact CD2-CD1 3.99Å; L262-L580 HydrophobicContact CG-CD1 4.34Å; F517-L580 HydrophobicContact CD1-CD2 3.81Å; F517-L580 HydrophobicContact CE1-CD2 3.39Å; F517-L580 HydrophobicContact CZ-CD2 4.03Å; L577-L580 WeakPolarHBondContact O-CB 3.31Å; L577-L580 PolarHBondContact O-N 2.82Å; S578-L580 PolarHBondContact O-N 2.67Å; S578-L580 VanDerWaalsContact O-N 3.13Å; L580-A583 PolarHBondContact O-N 2.86Å; L580-L584 WeakPolarHBondContact O-CG 3.13Å; L580-L584 PolarHBondContact O-N 2.85Å
581	L	96.6	Very high	94.8	Very high	24 Å²	24	49.8 Å²	49.8	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-62.1	-42.4	176.4	-66.7	170	0	0	0	112	A559 Q562 L563 L566 P574 L577 S578 A583 L584 D585	A559-L581 WeakPolarHBondContact CB-O 3.43Å; Q562-L581 HydrophobicContact CB-CD2 3.91Å; Q562-L581 HydrophobicContact CG-CD2 3.7Å; L563-L581 HydrophobicContact CB-CD2 4.44Å; L563-L581 HydrophobicContact CD1-CD1 4.34Å; L566-L581 HydrophobicContact CD1-CD1 4.5Å; L566-L581 HydrophobicContact CD1-CD2 4.47Å; P574-L581 HydrophobicContact CB-CD1 3.92Å; L577-L581 PolarHBondContact O-N 3.43Å; S578-L581 PolarHBondContact O-N 3.15Å; L581-A583 VanDerWaalsContact C-N 3.33Å; L581-A583 PolarHBondContact O-N 3.16Å; L581-L584 PolarHBondContact O-N 3.15Å; L581-D585 PolarHBondContact O-N 3.22Å
582	E	97.6	Very high	95.1	Very high	118 Å²	118	43.8 Å²	43.8	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-60.3	-40.4	173.3	-69.8	159.5	-134.1	0	0	111.5	S578 S586	S578-E582 VanDerWaalsContact C-OE1 3.22Å; S578-E582 VanDerWaalsContact CB-OE1 3.22Å; S578-E582 WeakPolarHBondContact CB-OE1 3.49Å; S578-E582 WeakPolarHBondContact O-CB 3.39Å; S578-E582 WeakPolarHBondContact O-CG 3.48Å; S578-E582 PolarHBondContact O-N 3.11Å; S578-E582 PolarHBondContact OG-OE1 3.02Å; E582-S586 WeakPolarHBondContact O-CB 3.33Å; E582-S586 PolarHBondContact O-N 3.14Å; E582-S586 VanDerWaalsContact O-N 3.1Å; E582-S586 PolarHBondContact O-OG 3.26Å
583	A	97.8	Very high	95.5	Very high	15 Å²	15	41.5 Å²	41.5	12%	0.124	26%	0.261	C	S	.	.	H	α-helix	trans	-71.7	-35.2	175.8	0	0	0	0	0	112.6	L262 V265 H579 L580 L581 S586	L262-A583 HydrophobicContact CD2-CB 3.3Å; V265-A583 HydrophobicContact CG1-CB 4.39Å; V265-A583 WeakPolarHBondContact CG1-O 3.37Å; V265-A583 HydrophobicContact CG2-CB 4.37Å; H579-A583 WeakPolarHBondContact O-CB 3.44Å; L580-A583 PolarHBondContact O-N 2.86Å; L581-A583 VanDerWaalsContact C-N 3.33Å; L581-A583 PolarHBondContact O-N 3.16Å; A583-S586 WeakPolarHBondContact O-CB 3.43Å; A583-S586 PolarHBondContact O-N 3.32Å
584	L	97.8	Very high	95.9	Very high	6 Å²	6	36.9 Å²	36.9	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-63.2	-43	173.4	-70.5	-178.3	0	0	0	111.6	A559 Q562 L580 L581 S586 G587 A588	A559-L584 HydrophobicContact CB-CB 3.9Å; Q562-L584 HydrophobicContact CB-CD1 3.92Å; Q562-L584 HydrophobicContact CG-CD1 4.02Å; L580-L584 WeakPolarHBondContact O-CG 3.13Å; L580-L584 PolarHBondContact O-N 2.85Å; L581-L584 PolarHBondContact O-N 3.15Å; L584-S586 PolarHBondContact O-N 3.12Å; L584-G587 PolarHBondContact O-N 3.21Å; L584-A588 HydrophobicContact CD2-CB 3.69Å; L584-A588 PolarHBondContact O-N 2.88Å
585	D	97.5	Very high	96.3	Very high	134 Å²	134	36.1 Å²	36.1	72%	0.717	23%	0.232	S	C	*	.	H	α-helix	trans	-72.1	-19.4	178.2	-146.3	50.7	0	0	0	112.7	A559 L581 G587	A559-D585 HydrophobicContact CB-CB 3.87Å; L581-D585 PolarHBondContact O-N 3.22Å; D585-G587 PolarHBondContact O-N 2.91Å
586	S	97.8	Very high	96.7	Very high	95 Å²	95	34.1 Å²	34.1	66%	0.664	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	14.3	174.6	-60.9	0	0	0	0	114.5	E582 A583 L584	E582-S586 WeakPolarHBondContact O-CB 3.33Å; E582-S586 PolarHBondContact O-N 3.14Å; E582-S586 VanDerWaalsContact O-N 3.1Å; E582-S586 PolarHBondContact O-OG 3.26Å; A583-S586 WeakPolarHBondContact O-CB 3.43Å; A583-S586 PolarHBondContact O-N 3.32Å; L584-S586 PolarHBondContact O-N 3.12Å
587	G	96.7	Very high	97.2	Very high	61 Å²	61	31.7 Å²	31.7	63%	0.629	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	40.1	176.3	0	0	0	0	0	114.6	L584 D585	L584-G587 PolarHBondContact O-N 3.21Å; D585-G587 PolarHBondContact O-N 2.91Å
588	A	98.4	Very high	97.5	Very high	13 Å²	13	31.8 Å²	31.8	11%	0.107	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-57	133.2	177.5	0	0	0	0	0	113.1	V265 H557 L584	V265-A588 HydrophobicContact CG2-CB 3.76Å; H557-A588 HydrophobicContact CB-CB 4.39Å; L584-A588 HydrophobicContact CD2-CB 3.69Å; L584-A588 PolarHBondContact O-N 2.88Å
589	P	98.6	Very high	97.7	Very high	15 Å²	15	29.7 Å²	29.7	10%	0.097	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-71.1	157.8	172.3	32.1	-35.6	0	0	0	110.6	M264 F300 H557 H591	M264-P589 HydrophobicContact CB-CG 4.21Å; F300-P589 HydrophobicContact CD1-CB 4.31Å; F300-P589 HydrophobicContact CE1-CB 3.67Å; F300-P589 HydrophobicContact CE2-CB 4.09Å; F300-P589 HydrophobicContact CZ-CB 3.55Å; H557-P589 VanDerWaalsContact CB-O 3.26Å; H557-P589 WeakPolarHBondContact CB-O 3.38Å; P589-H591 PolarHBondContact O-N 3.37Å; P589-H591 PolarHBondContact O-ND1 3.45Å
590	P	98.3	Very high	97.8	Very high	57 Å²	57	29.9 Å²	29.9	37%	0.37	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-55.3	129.2	158.7	-19.6	32.5	0	0	0	109	S299 F300	S299-P590 CarbonylContact C-O 3.12Å; F300-P590 PolarHBondContact N-O 2.86Å
591	H	98.8	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.9	-175.7	61.6	-81.4	0	0	0	111.5	Q261 M264 E297 M298 R555 P589	Q261-H591 WeakPolarHBondContact CG-NE2 3.25Å; M264-H591 HydrophobicContact CB-CB 3.99Å; M264-H591 HydrophobicContact CG-CB 3.79Å; M264-H591 HydrophobicContact SD-CB 4.48Å; E297-H591 IonicContact OE1-CD2 2.69Å; M298-H591 CarbonylContact O-C 3.59Å; M298-H591 WeakPolarHBondContact O-CA 3.16Å; M298-H591 VanDerWaalsContact O-CB 3.24Å; M298-H591 WeakPolarHBondContact O-CB 3.46Å; R555-H591 WeakPolarHBondContact CB-NE2 3.26Å; R555-H591 VanDerWaalsContact CG-CD2 3.42Å; R555-H591 WeakPolarHBondContact CG-CD2 3.32Å; R555-H591 PolarHBondContact N-O 3.33Å; P589-H591 PolarHBondContact O-N 3.37Å; P589-H591 PolarHBondContact O-ND1 3.45Å
592	G	98.5	Very high	98	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	168.7	-178.7	0	0	0	0	0	112.3	E297 M298 S553	E297-G592 WeakPolarHBondContact CA-O 3.46Å; M298-G592 PolarHBondContact N-O 2.96Å; M298-G592 PolarHBondContact O-N 3.36Å; S553-G592 WeakPolarHBondContact O-CA 3.37Å
593	G	98.3	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.9	-178.2	-179.6	0	0	0	0	0	114.9	I296 E297 G552 S553 R555	I296-G593 CarbonylContact O-C 3.49Å; I296-G593 WeakPolarHBondContact O-CA 3.46Å; E297-G593 WeakPolarHBondContact OE2-CA 3.29Å; G552-G593 CarbonylContact C-O 3.45Å; G552-G593 WeakPolarHBondContact CA-O 3.46Å; S553-G593 PolarHBondContact N-O 2.8Å; S553-G593 PolarHBondContact O-N 2.85Å; R555-G593 PolarHBondContact NH1-O 2.95Å; R555-G593 PolarHBondContact NH2-O 3.15Å
594	I	98.6	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	152.9	-164.3	-167.4	174.3	0	0	0	110.4	I296 I306 V310 W493 Y540 G551 L596	I296-I594 HydrophobicContact CB-CG2 4.11Å; I296-I594 HydrophobicContact CD1-CG2 4.25Å; I296-I594 PolarHBondContact N-O 3.06Å; I296-I594 PolarHBondContact O-N 3.42Å; I306-I594 HydrophobicContact CG2-CB 4.17Å; I306-I594 HydrophobicContact CG2-CG2 4.13Å; V310-I594 HydrophobicContact CG1-CD1 4.42Å; V310-I594 HydrophobicContact CG2-CD1 3.9Å; V310-I594 HydrophobicContact CG2-CG2 3.69Å; W493-I594 HydrophobicContact CH2-CD1 3.87Å; W493-I594 HydrophobicContact CZ3-CD1 3.9Å; Y540-I594 HydrophobicContact CE2-CB 4.44Å; G551-I594 WeakPolarHBondContact O-CA 3.38Å; G551-I594 WeakPolarHBondContact O-CG1 3.32Å; I594-L596 HydrophobicContact CD1-CD2 3.89Å; I594-L596 HydrophobicContact CG1-CD2 4.3Å
595	A	98.2	Very high	97.8	Very high	12 Å²	12	24.3 Å²	24.3	10%	0.099	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.8	168.6	0	0	0	0	0	110.5	Q293 V294 G550 G551	Q293-A595 HydrophobicContact CB-CB 4.39Å; V294-A595 WeakPolarHBondContact O-CA 3.36Å; G550-A595 WeakPolarHBondContact CA-O 3.48Å; G551-A595 PolarHBondContact N-O 2.86Å; G551-A595 PolarHBondContact O-N 3.34Å
596	L	98.4	Very high	97.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.4	175.8	-56.5	-177.9	0	0	0	110.5	Q293 V294 V310 L313 L542 I549 I594 L598	Q293-L596 CarbonylContact C-O 3.39Å; Q293-L596 VanDerWaalsContact CA-O 3.22Å; Q293-L596 WeakPolarHBondContact CA-O 3.5Å; V294-L596 HydrophobicContact CB-CB 4.3Å; V294-L596 PolarHBondContact N-O 3.28Å; V294-L596 PolarHBondContact O-N 2.87Å; V310-L596 HydrophobicContact CG1-CD1 4.42Å; V310-L596 HydrophobicContact CG1-CD2 4.13Å; L313-L596 HydrophobicContact CD2-CD1 3.95Å; L542-L596 HydrophobicContact CD2-CD2 4.45Å; I549-L596 CarbonylContact O-C 3.59Å; I549-L596 WeakPolarHBondContact O-CA 3.47Å; I594-L596 HydrophobicContact CD1-CD2 3.89Å; I594-L596 HydrophobicContact CG1-CD2 4.3Å; L596-L598 PolarHBondContact O-N 2.81Å
597	G	97.9	Very high	97.5	Very high	18 Å²	18	17.9 Å²	17.9	19%	0.186	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	83.1	174	0	0	0	0	0	111.8	I549 D599 R600 L601	I549-G597 PolarHBondContact O-N 2.88Å; G597-D599 VanDerWaalsContact C-N 3.27Å; G597-D599 PolarHBondContact O-N 3.25Å; G597-R600 PolarHBondContact O-N 2.7Å; G597-L601 PolarHBondContact O-N 3.24Å
598	L	98.3	Very high	97.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-52.9	-41.6	-174.3	179.6	66.3	0	0	0	112.9	L206 V207 M210 V274 T292 V294 L596 R600 L601 V602	L206-L598 HydrophobicContact CD2-CD1 4.09Å; V207-L598 HydrophobicContact CG2-CD1 3.9Å; V207-L598 HydrophobicContact CG2-CD2 3.49Å; V207-L598 VanDerWaalsContact CG2-CD2 3.49Å; V207-L598 HydrophobicContact CG2-CG 4.33Å; M210-L598 HydrophobicContact SD-CD1 4.49Å; V274-L598 HydrophobicContact CG1-CD2 4.27Å; T292-L598 HydrophobicContact CG2-CD2 3.84Å; T292-L598 PolarHBondContact O-N 3.07Å; V294-L598 HydrophobicContact CG2-CB 4.39Å; V294-L598 HydrophobicContact CG2-CD1 4.4Å; L596-L598 PolarHBondContact O-N 2.81Å; L598-R600 VanDerWaalsContact C-N 3.32Å; L598-R600 PolarHBondContact O-N 2.88Å; L598-L601 PolarHBondContact O-N 2.85Å; L598-V602 HydrophobicContact CD1-CG2 3.91Å; L598-V602 HydrophobicContact CG-CG2 4.36Å; L598-V602 WeakPolarHBondContact O-CB 3.39Å; L598-V602 VanDerWaalsContact O-CG2 3.28Å; L598-V602 WeakPolarHBondContact O-CG2 3.46Å; L598-V602 PolarHBondContact O-N 3.25Å
599	D	98	Very high	96.9	Very high	4 Å²	4	21 Å²	21	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-39.8	178.3	-66	-52.5	0	0	0	112.3	R203 F291 T292 G597 S603 I611 V614 I615	R203-D599 IonicContact CZ-OD1 2.78Å; R203-D599 IonicContact NH1-OD1 3.67Å; R203-D599 PolarHBondContact NH1-OD1 2.9Å; R203-D599 IonicContact NH2-OD1 2.75Å; R203-D599 PolarHBondContact NH2-OD1 3.01Å; F291-D599 WeakPolarHBondContact CA-OD2 3.38Å; T292-D599 PolarHBondContact N-OD2 2.92Å; G597-D599 VanDerWaalsContact C-N 3.27Å; G597-D599 PolarHBondContact O-N 3.25Å; D599-S603 WeakPolarHBondContact O-CB 3.13Å; D599-S603 PolarHBondContact O-N 2.82Å; D599-S603 VanDerWaalsContact O-N 3.09Å; D599-I611 HydrophobicContact CB-CB 4.19Å; D599-I611 HydrophobicContact CB-CD1 4.09Å; D599-I611 HydrophobicContact CB-CG2 4.42Å; D599-I611 WeakPolarHBondContact O-CG2 3.3Å; D599-V614 VanDerWaalsContact O-CG2 3.25Å; D599-V614 WeakPolarHBondContact O-CG2 3.38Å; D599-I615 HydrophobicContact CB-CD1 4.44Å; D599-I615 WeakPolarHBondContact OD1-CG1 3.38Å
600	R	97.1	Very high	96.6	Very high	51 Å²	51	20.8 Å²	20.8	19%	0.192	15%	0.147	C	C	.	.	H	α-helix	trans	-74.6	-44.3	179.9	-167.1	-177.8	-84.5	158.3	-6.9	111.1	D286 E548 I549 G597 L598 V602 S603 I604 I611	D286-R600 IonicContact OD2-CZ 2.72Å; D286-R600 IonicContact OD2-NE 2.73Å; D286-R600 IonicContact OD2-NH2 2.8Å; D286-R600 PolarHBondContact OD2-NH2 2.99Å; E548-R600 WeakPolarHBondContact O-CD 3.41Å; E548-R600 PolarHBondContact O-NH1 3.48Å; E548-R600 IonicContact OE1-CZ 3.26Å; E548-R600 IonicContact OE1-NH1 2.71Å; E548-R600 PolarHBondContact OE1-NH1 2.58Å; I549-R600 HydrophobicContact CG2-CG 4.45Å; G597-R600 PolarHBondContact O-N 2.7Å; L598-R600 VanDerWaalsContact C-N 3.32Å; L598-R600 PolarHBondContact O-N 2.88Å; R600-V602 PolarHBondContact O-N 2.88Å; R600-S603 PolarHBondContact O-N 2.93Å; R600-I604 HydrophobicContact CG-CD1 4.29Å; R600-I604 WeakPolarHBondContact O-CG1 3.36Å; R600-I604 PolarHBondContact O-N 3.08Å; R600-I611 HydrophobicContact CB-CG2 4.45Å
601	L	97.8	Very high	96.5	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-49.1	175	174.8	60.7	0	0	0	112	L206 M210 L314 W318 L544 I549 G597 L598 S603 I604 L605	L206-L601 HydrophobicContact CD2-CD2 4.19Å; L206-L601 HydrophobicContact CD2-CG 4.47Å; M210-L601 HydrophobicContact CE-CD2 3.76Å; L314-L601 HydrophobicContact CD2-CD1 4.45Å; L314-L601 HydrophobicContact CD2-CD2 3.78Å; W318-L601 HydrophobicContact CZ3-CD1 4.48Å; L544-L601 HydrophobicContact CD2-CD1 4.17Å; I549-L601 HydrophobicContact CD1-CD1 4.08Å; G597-L601 PolarHBondContact O-N 3.24Å; L598-L601 PolarHBondContact O-N 2.85Å; L601-S603 PolarHBondContact O-N 2.83Å; L601-I604 PolarHBondContact O-N 3.25Å; L601-L605 HydrophobicContact CD1-CD1 4.25Å; L601-L605 HydrophobicContact CG-CD1 4.17Å; L601-L605 WeakPolarHBondContact O-CB 3.44Å; L601-L605 PolarHBondContact O-N 3.28Å
602	V	97.9	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.3	-35.6	179.8	-177.8	0	0	0	0	111.2	L202 R203 L206 L598 R600 I604 L605 V606 V614	L202-V602 HydrophobicContact CD2-CG1 4.11Å; R203-V602 HydrophobicContact CB-CG1 4.12Å; R203-V602 HydrophobicContact CG-CG2 4.3Å; L206-V602 HydrophobicContact CD2-CG2 3.55Å; L598-V602 HydrophobicContact CD1-CG2 3.91Å; L598-V602 HydrophobicContact CG-CG2 4.36Å; L598-V602 WeakPolarHBondContact O-CB 3.39Å; L598-V602 VanDerWaalsContact O-CG2 3.28Å; L598-V602 WeakPolarHBondContact O-CG2 3.46Å; L598-V602 PolarHBondContact O-N 3.25Å; R600-V602 PolarHBondContact O-N 2.88Å; V602-I604 VanDerWaalsContact C-N 3.35Å; V602-I604 PolarHBondContact O-N 2.92Å; V602-L605 PolarHBondContact O-N 2.66Å; V602-V606 HydrophobicContact CG1-CG1 4.42Å; V602-V606 WeakPolarHBondContact O-CG2 3.48Å; V602-V606 PolarHBondContact O-N 2.86Å; V602-V606 VanDerWaalsContact O-N 3.09Å; V602-V614 HydrophobicContact CB-CB 4.24Å; V602-V614 HydrophobicContact CB-CG1 4.36Å; V602-V614 HydrophobicContact CB-CG2 4.22Å; V602-V614 HydrophobicContact CG1-CB 3.82Å; V602-V614 HydrophobicContact CG1-CG1 3.77Å; V602-V614 HydrophobicContact CG1-CG2 4.35Å
603	S	97.1	Very high	96.2	Very high	8 Å²	8	20.3 Å²	20.3	6%	0.056	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-42.4	175.3	-163.3	0	0	0	0	112.1	D599 R600 L601 G607 A608 S610 I611	D599-S603 WeakPolarHBondContact O-CB 3.13Å; D599-S603 PolarHBondContact O-N 2.82Å; D599-S603 VanDerWaalsContact O-N 3.09Å; R600-S603 PolarHBondContact O-N 2.93Å; L601-S603 PolarHBondContact O-N 2.83Å; S603-G607 PolarHBondContact O-N 2.94Å; S603-A608 PolarHBondContact O-N 2.84Å; S603-A608 PolarHBondContact OG-O 2.71Å; S603-S610 PolarHBondContact OG-O 2.94Å; S603-I611 PolarHBondContact OG-N 2.95Å
604	I	95.8	Very high	96.2	Very high	37 Å²	37	20.3 Å²	20.3	19%	0.19	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-46.3	176.3	-63.5	163.4	0	0	0	110.5	F489 L544 I549 R600 L601 V602 V606 G607	F489-I604 HydrophobicContact CD1-CG2 4.41Å; F489-I604 HydrophobicContact CE1-CG2 4.19Å; L544-I604 HydrophobicContact CD2-CB 4.31Å; L544-I604 HydrophobicContact CD2-CD1 4.25Å; L544-I604 HydrophobicContact CD2-CG2 3.75Å; L544-I604 HydrophobicContact CG-CD1 4.45Å; L544-I604 HydrophobicContact CG-CG2 4.12Å; I549-I604 HydrophobicContact CG2-CD1 3.66Å; R600-I604 HydrophobicContact CG-CD1 4.29Å; R600-I604 WeakPolarHBondContact O-CG1 3.36Å; R600-I604 PolarHBondContact O-N 3.08Å; L601-I604 PolarHBondContact O-N 3.25Å; V602-I604 VanDerWaalsContact C-N 3.35Å; V602-I604 PolarHBondContact O-N 2.92Å; I604-V606 VanDerWaalsContact C-N 3.28Å; I604-V606 PolarHBondContact O-N 2.96Å; I604-G607 PolarHBondContact O-N 2.8Å; I604-G607 VanDerWaalsContact O-N 3.1Å
605	L	95.4	Very high	96.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-53.9	-39.6	177.5	-87.3	167.7	0	0	0	113.7	L202 L206 W318 P319 K322 F489 L601 V602	L202-L605 HydrophobicContact CD2-CB 4.38Å; L202-L605 HydrophobicContact CD2-CD1 4.34Å; L206-L605 HydrophobicContact CD1-CD1 4.39Å; L206-L605 HydrophobicContact CD2-CD1 3.88Å; W318-L605 HydrophobicContact CD2-CD2 4.41Å; W318-L605 HydrophobicContact CE3-CD2 4.19Å; W318-L605 HydrophobicContact CH2-CD2 3.4Å; W318-L605 HydrophobicContact CH2-CG 4.15Å; W318-L605 HydrophobicContact CZ2-CD2 3.62Å; W318-L605 HydrophobicContact CZ3-CD1 4.37Å; W318-L605 HydrophobicContact CZ3-CD2 3.7Å; W318-L605 HydrophobicContact CZ3-CG 4.25Å; P319-L605 HydrophobicContact CG-CD2 4.23Å; K322-L605 WeakPolarHBondContact CE-O 3.13Å; K322-L605 HydrophobicContact CG-CD2 4.33Å; F489-L605 HydrophobicContact CE1-CD2 4.26Å; F489-L605 HydrophobicContact CZ-CD2 4.43Å; L601-L605 HydrophobicContact CD1-CD1 4.25Å; L601-L605 HydrophobicContact CG-CD1 4.17Å; L601-L605 WeakPolarHBondContact O-CB 3.44Å; L601-L605 PolarHBondContact O-N 3.28Å; V602-L605 PolarHBondContact O-N 2.66Å
606	V	95.1	Very high	96.1	Very high	26 Å²	26	22.7 Å²	22.7	16%	0.158	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1	-179.4	-51.3	0	0	0	0	114.1	L202 V602 I604 A608 V614	L202-V606 HydrophobicContact CD1-CG1 4.22Å; L202-V606 HydrophobicContact CD2-CG1 4.13Å; V602-V606 HydrophobicContact CG1-CG1 4.42Å; V602-V606 WeakPolarHBondContact O-CG2 3.48Å; V602-V606 PolarHBondContact O-N 2.86Å; V602-V606 VanDerWaalsContact O-N 3.09Å; I604-V606 VanDerWaalsContact C-N 3.28Å; I604-V606 PolarHBondContact O-N 2.96Å; V606-A608 VanDerWaalsContact C-N 3.28Å; V606-A608 HydrophobicContact CG2-CB 3.64Å; V606-A608 PolarHBondContact O-N 2.83Å; V606-V614 HydrophobicContact CG2-CG1 3.65Å
607	G	94.1	Very high	96.1	Very high	68 Å²	68	27.3 Å²	27.3	70%	0.701	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	23.1	-176.2	0	0	0	0	0	114.4	S603 I604	S603-G607 PolarHBondContact O-N 2.94Å; I604-G607 PolarHBondContact O-N 2.8Å; I604-G607 VanDerWaalsContact O-N 3.1Å
608	A	93.1	Very high	96	Very high	25 Å²	25	26.7 Å²	26.7	21%	0.207	17%	0.169	C	C	.	.			trans	-76.6	131.5	-179.7	0	0	0	0	0	111.6	S603 V606 S610 D613	S603-A608 PolarHBondContact O-N 2.84Å; S603-A608 PolarHBondContact OG-O 2.71Å; V606-A608 VanDerWaalsContact C-N 3.28Å; V606-A608 HydrophobicContact CG2-CB 3.64Å; V606-A608 PolarHBondContact O-N 2.83Å; A608-S610 PolarHBondContact O-N 3.42Å; A608-D613 HydrophobicContact CB-CB 4.27Å
609	S	89.3	Confident	95.9	Very high	114 Å²	114	28.4 Å²	28.4	80%	0.797	18%	0.176	S	C	*	.	S	Bend	trans	-71.9	-6.7	177.4	56	0	0	0	0	114.5
610	S	93.8	Very high	95.6	Very high	11 Å²	11	28.9 Å²	28.9	8%	0.077	18%	0.18	C	C	.	.	S	Bend	trans	-152.5	142.5	171.9	178.3	0	0	0	0	111.2	P285 S603 A608 R612 D613	P285-S610 CarbonylContact O-C 3.46Å; P285-S610 WeakPolarHBondContact O-CA 3.31Å; P285-S610 WeakPolarHBondContact O-CB 3.47Å; P285-S610 PolarHBondContact O-OG 2.76Å; S603-S610 PolarHBondContact OG-O 2.94Å; A608-S610 PolarHBondContact O-N 3.42Å; S610-R612 PolarHBondContact O-N 2.71Å; S610-R612 WeakPolarHBondContact OG-CG 3.26Å; S610-R612 PolarHBondContact OG-N 3.5Å; S610-D613 PolarHBondContact O-N 2.8Å
611	I	95.8	Very high	95.2	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.036	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-59.9	-17.8	175	65.3	162.4	0	0	0	112.8	P285 D286 Q288 D599 R600 S603 D613 V614 I615	P285-I611 PolarHBondContact O-N 3.49Å; D286-I611 WeakPolarHBondContact O-CD1 3.37Å; Q288-I611 HydrophobicContact CB-CD1 4.29Å; Q288-I611 HydrophobicContact CG-CD1 3.67Å; Q288-I611 HydrophobicContact CG-CG1 4.11Å; D599-I611 HydrophobicContact CB-CB 4.19Å; D599-I611 HydrophobicContact CB-CD1 4.09Å; D599-I611 HydrophobicContact CB-CG2 4.42Å; D599-I611 WeakPolarHBondContact O-CG2 3.3Å; R600-I611 HydrophobicContact CB-CG2 4.45Å; S603-I611 PolarHBondContact OG-N 2.95Å; I611-D613 PolarHBondContact O-N 2.87Å; I611-V614 VanDerWaalsContact O-CG2 3.25Å; I611-V614 WeakPolarHBondContact O-CG2 3.27Å; I611-V614 PolarHBondContact O-N 3.24Å; I611-I615 HydrophobicContact CD1-CD1 4.27Å; I611-I615 HydrophobicContact CG1-CD1 4.4Å; I611-I615 WeakPolarHBondContact O-CG1 3.28Å; I611-I615 PolarHBondContact O-N 2.91Å
612	R	95.4	Very high	94.7	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.045	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-58.7	-29	173.4	-62.5	-177.9	-166.7	124.7	9.3	112.3	E180 R187 S283 K284 S610 V614 P618 K619	E180-R612 VanDerWaalsContact OE1-CD 3.28Å; E180-R612 WeakPolarHBondContact OE1-CD 3.26Å; E180-R612 IonicContact OE1-CZ 3.64Å; E180-R612 IonicContact OE1-NE 3.28Å; E180-R612 IonicContact OE1-NH1 3.56Å; E180-R612 PolarHBondContact OE1-NH1 3.33Å; E180-R612 IonicContact OE2-NH1 3.93Å; R187-R612 PolarHBondContact NH2-O 2.85Å; S283-R612 PolarHBondContact OG-NH2 2.96Å; K284-R612 PolarHBondContact O-NH2 3.36Å; K284-R612 VanDerWaalsContact O-NH2 3.16Å; S610-R612 PolarHBondContact O-N 2.71Å; S610-R612 WeakPolarHBondContact OG-CG 3.26Å; S610-R612 PolarHBondContact OG-N 3.5Å; R612-V614 VanDerWaalsContact C-N 3.3Å; R612-V614 PolarHBondContact O-N 3.42Å; R612-P618 HydrophobicContact CB-CB 3.74Å; R612-P618 HydrophobicContact CB-CG 3.91Å; R612-P618 HydrophobicContact CG-CB 3.8Å; R612-P618 HydrophobicContact CG-CG 4.41Å; R612-K619 PolarHBondContact NE-O 2.99Å
613	D	95.8	Very high	94.2	Very high	29 Å²	29	44.5 Å²	44.5	16%	0.155	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-86.4	7.1	177	-81.4	-27	0	0	0	115	R183 R187 M196 N199 A608 S610 I611	R183-D613 IonicContact CZ-OD1 3.43Å; R183-D613 IonicContact CZ-OD2 3.25Å; R183-D613 IonicContact NH1-OD1 3.39Å; R183-D613 PolarHBondContact NH1-OD1 2.89Å; R183-D613 IonicContact NH1-OD2 2.77Å; R183-D613 PolarHBondContact NH1-OD2 2.84Å; R183-D613 IonicContact NH2-OD1 3.81Å; R183-D613 PolarHBondContact NH2-OD1 2.66Å; R183-D613 IonicContact NH2-OD2 3.74Å; R183-D613 PolarHBondContact NH2-OD2 2.9Å; R187-D613 IonicContact CZ-OD1 3.3Å; R187-D613 IonicContact NH1-OD1 3.93Å; R187-D613 PolarHBondContact NH1-OD1 3.45Å; R187-D613 IonicContact NH2-OD1 2.79Å; M196-D613 VanDerWaalsContact CE-O 3.28Å; M196-D613 WeakPolarHBondContact CE-O 3.41Å; M196-D613 HydrophobicContact SD-CB 4.14Å; N199-D613 WeakPolarHBondContact CB-O 3.44Å; N199-D613 PolarHBondContact ND2-O 3.45Å; A608-D613 HydrophobicContact CB-CB 4.27Å; S610-D613 PolarHBondContact O-N 2.8Å; I611-D613 PolarHBondContact O-N 2.87Å
614	V	97.5	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-119.1	4.6	166.5	-55.1	0	0	0	0	113.3	N199 R203 D599 V602 V606 I611 R612	N199-V614 HydrophobicContact CB-CG1 4.37Å; R203-V614 PolarHBondContact NH1-O 2.92Å; D599-V614 VanDerWaalsContact O-CG2 3.25Å; D599-V614 WeakPolarHBondContact O-CG2 3.38Å; V602-V614 HydrophobicContact CB-CB 4.24Å; V602-V614 HydrophobicContact CB-CG1 4.36Å; V602-V614 HydrophobicContact CB-CG2 4.22Å; V602-V614 HydrophobicContact CG1-CB 3.82Å; V602-V614 HydrophobicContact CG1-CG1 3.77Å; V602-V614 HydrophobicContact CG1-CG2 4.35Å; V606-V614 HydrophobicContact CG2-CG1 3.65Å; I611-V614 VanDerWaalsContact O-CG2 3.25Å; I611-V614 WeakPolarHBondContact O-CG2 3.27Å; I611-V614 PolarHBondContact O-N 3.24Å; R612-V614 VanDerWaalsContact C-N 3.3Å; R612-V614 PolarHBondContact O-N 3.42Å
615	I	98	Very high	94.1	Very high	28 Å²	28	47.2 Å²	47.2	14%	0.144	26%	0.261	C	S	.	.	S	Bend	trans	-107.8	137.3	174.4	-65.9	166.1	0	0	0	108.6	R187 Q288 D599 I611 P618	R187-I615 PolarHBondContact NH2-O 2.74Å; Q288-I615 HydrophobicContact CG-CD1 3.89Å; D599-I615 HydrophobicContact CB-CD1 4.44Å; D599-I615 WeakPolarHBondContact OD1-CG1 3.38Å; I611-I615 HydrophobicContact CD1-CD1 4.27Å; I611-I615 HydrophobicContact CG1-CD1 4.4Å; I611-I615 WeakPolarHBondContact O-CG1 3.28Å; I611-I615 PolarHBondContact O-N 2.91Å; I615-P618 HydrophobicContact CB-CB 4.29Å; I615-P618 HydrophobicContact CG2-CB 4.12Å
616	A	97.5	Very high	94.1	Very high	33 Å²	33	49.7 Å²	49.7	27%	0.273	28%	0.275	S	S	.	.	S	Bend	trans	-63.2	-54.1	-177	0	0	0	0	0	112.3	R187 L200 P618	R187-A616 WeakPolarHBondContact CG-O 3.16Å; R187-A616 PolarHBondContact NE-O 3.42Å; L200-A616 HydrophobicContact CD1-CB 4.32Å; L200-A616 HydrophobicContact CD2-CB 4.32Å; A616-P618 WeakPolarHBondContact O-CD 3.47Å
617	F	97.5	Very high	94.2	Very high	98 Å²	98	50.9 Å²	50.9	43%	0.43	28%	0.279	S	S	.	.	S	Bend	trans	-125.9	79.2	-178.5	-58	-75.7	0	0	0	110.3	R187 L191 M627	R187-F617 HydrophobicContact CB-CD1 4.23Å; R187-F617 HydrophobicContact CB-CE1 4.46Å; R187-F617 HydrophobicContact CG-CD1 3.98Å; R187-F617 HydrophobicContact CG-CE1 4.3Å; L191-F617 HydrophobicContact CD1-CE1 4.03Å; L191-F617 HydrophobicContact CD1-CZ 3.92Å; F617-M627 HydrophobicContact CD1-CE 3.66Å; F617-M627 HydrophobicContact CD1-SD 3.83Å; F617-M627 HydrophobicContact CE1-CE 3.95Å; F617-M627 HydrophobicContact CE1-SD 3.82Å; F617-M627 HydrophobicContact CG-CE 4.44Å
618	P	96.3	Very high	94.4	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.039	27%	0.271	C	S	.	.			trans	-75	161.6	-176.4	30.9	-35.4	0	0	0	112.8	M184 R612 I615 A616	M184-P618 HydrophobicContact CE-CB 4.35Å; M184-P618 HydrophobicContact CE-CG 4.01Å; M184-P618 WeakPolarHBondContact CE-O 3.47Å; R612-P618 HydrophobicContact CB-CB 3.74Å; R612-P618 HydrophobicContact CB-CG 3.91Å; R612-P618 HydrophobicContact CG-CB 3.8Å; R612-P618 HydrophobicContact CG-CG 4.41Å; I615-P618 HydrophobicContact CB-CB 4.29Å; I615-P618 HydrophobicContact CG2-CB 4.12Å; A616-P618 WeakPolarHBondContact O-CD 3.47Å
619	K	95	Very high	94.5	Very high	38 Å²	38	56.3 Å²	56.3	17%	0.165	29%	0.29	C	S	.	.			trans	-93.1	142.4	170.3	-59.3	-55.5	-170.4	-69.5	0	110.9	M184 Q288 P289 E290 R612 G623 D625	M184-K619 VanDerWaalsContact CE-C 3.46Å; Q288-K619 PolarHBondContact NE2-O 2.98Å; Q288-K619 PolarHBondContact OE1-O 3.46Å; P289-K619 HydrophobicContact CG-CB 4.09Å; P289-K619 HydrophobicContact CG-CG 3.97Å; E290-K619 IonicContact OE1-NZ 3.98Å; E290-K619 PolarHBondContact OE1-NZ 3.42Å; R612-K619 PolarHBondContact NE-O 2.99Å; K619-G623 WeakPolarHBondContact CB-O 3.49Å; K619-D625 HydrophobicContact CD-CB 3.97Å
620	S	92.6	Very high	94.8	Very high	14 Å²	14	52.7 Å²	52.7	10%	0.098	27%	0.267	C	S	.	.			trans	-66.6	179.7	-178.3	63.4	0	0	0	0	112.8	M184 S283 R622 G623 H624	M184-S620 VanDerWaalsContact CE-N 3.31Å; S283-S620 VanDerWaalsContact CB-O 3.24Å; S283-S620 WeakPolarHBondContact CB-O 3.3Å; S283-S620 PolarHBondContact OG-O 3.13Å; S620-R622 PolarHBondContact O-N 2.93Å; S620-G623 PolarHBondContact O-N 3.17Å; S620-H624 WeakPolarHBondContact CB-O 3.12Å; S620-H624 PolarHBondContact N-O 3.11Å; S620-H624 PolarHBondContact OG-N 2.9Å; S620-H624 PolarHBondContact OG-O 2.92Å
621	F	88.4	Confident	94.8	Very high	143 Å²	143	56.5 Å²	56.5	63%	0.627	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-26.8	173.6	-178.1	-98.9	0	0	0	113.7	S283	S283-F621 WeakPolarHBondContact CB-O 3.46Å; S283-F621 WeakPolarHBondContact O-CD2 3.47Å; S283-F621 VanDerWaalsContact O-CE2 3.24Å; S283-F621 WeakPolarHBondContact O-CE2 3.44Å
622	R	86.9	Confident	94.8	Very high	213 Å²	213	62.5 Å²	62.5	80%	0.804	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	1.9	174.3	-66.7	-171.2	179.3	-173.8	-0.3	114	S620 H624	S620-R622 PolarHBondContact O-N 2.93Å; R622-H624 PolarHBondContact O-CD2 3.17Å; R622-H624 PolarHBondContact O-N 3.33Å
623	G	88.7	Confident	94.7	Very high	24 Å²	24	66.7 Å²	66.7	25%	0.247	36%	0.355	C	S	.	.	S	Bend	trans	80.5	-5.4	-172.5	0	0	0	0	0	114.7	K619 S620	K619-G623 WeakPolarHBondContact CB-O 3.49Å; S620-G623 PolarHBondContact O-N 3.17Å
624	H	93.2	Very high	94.6	Very high	82 Å²	82	69.3 Å²	69.3	38%	0.38	37%	0.371	S	S	.	.			trans	-78	145.3	179.6	-67.3	-141.4	0	0	0	111.9	S620 R622 A630	S620-H624 WeakPolarHBondContact CB-O 3.12Å; S620-H624 PolarHBondContact N-O 3.11Å; S620-H624 PolarHBondContact OG-N 2.9Å; S620-H624 PolarHBondContact OG-O 2.92Å; R622-H624 PolarHBondContact O-CD2 3.17Å; R622-H624 PolarHBondContact O-N 3.33Å; H624-A630 CarbonylContact C-O 3.6Å; H624-A630 WeakPolarHBondContact CA-O 3.37Å; H624-A630 WeakPolarHBondContact CB-O 3.47Å
625	D	95.8	Very high	94.5	Very high	20 Å²	20	71.9 Å²	71.9	11%	0.107	39%	0.389	C	S	.	.			trans	-81.7	121	163.4	-171.4	-32.8	0	0	0	109.3	K619 M627 S628 H629 A630	K619-D625 HydrophobicContact CD-CB 3.97Å; D625-M627 WeakPolarHBondContact OD1-CA 3.41Å; D625-M627 WeakPolarHBondContact OD1-CB 3.4Å; D625-M627 PolarHBondContact OD1-N 3.06Å; D625-S628 PolarHBondContact OD1-N 3.33Å; D625-S628 VanDerWaalsContact OD1-N 3.11Å; D625-H629 CarbonylContact O-C 3.54Å; D625-H629 VanDerWaalsContact O-CA 3.24Å; D625-H629 WeakPolarHBondContact O-CA 3.38Å; D625-H629 PolarHBondContact O-N 3Å; D625-H629 VanDerWaalsContact O-N 3.11Å; D625-A630 HydrophobicContact CB-CB 4.17Å; D625-A630 PolarHBondContact N-O 3.42Å; D625-A630 PolarHBondContact O-N 2.93Å
626	L	96.4	Very high	94.4	Very high	53 Å²	53	75.7 Å²	75.7	28%	0.277	41%	0.407	S	S	.	.	S	Bend	trans	-87.9	-11.6	-178.2	-57.4	-177.6	0	0	0	113.6	M184 Q185	M184-L626 HydrophobicContact CB-CB 4.17Å; M184-L626 HydrophobicContact CB-CD1 4.1Å; M184-L626 HydrophobicContact CB-CG 4.5Å; M184-L626 HydrophobicContact SD-CD1 4.4Å; Q185-L626 WeakPolarHBondContact CA-O 3.35Å; Q185-L626 HydrophobicContact CB-CB 4.49Å
627	M	97.4	Very high	94.3	Very high	50 Å²	50	82.3 Å²	82.3	25%	0.246	43%	0.432	C	S	.	.	S	Bend	trans	-87	-43.9	177.7	-178.2	-172.4	70.3	0	0	111.2	Q185 R187 Y188 F617 D625	Q185-M627 WeakPolarHBondContact O-CA 3.46Å; R187-M627 HydrophobicContact CB-SD 4.36Å; Y188-M627 HydrophobicContact CD1-CG 4.17Å; Y188-M627 HydrophobicContact CD1-SD 3.8Å; Y188-M627 HydrophobicContact CE1-CG 4.24Å; Y188-M627 HydrophobicContact CE1-SD 4.45Å; F617-M627 HydrophobicContact CD1-CE 3.66Å; F617-M627 HydrophobicContact CD1-SD 3.83Å; F617-M627 HydrophobicContact CE1-CE 3.95Å; F617-M627 HydrophobicContact CE1-SD 3.82Å; F617-M627 HydrophobicContact CG-CE 4.44Å; D625-M627 WeakPolarHBondContact OD1-CA 3.41Å; D625-M627 WeakPolarHBondContact OD1-CB 3.4Å; D625-M627 PolarHBondContact OD1-N 3.06Å
628	S	97.1	Very high	94.2	Very high	77 Å²	77	82.9 Å²	82.9	54%	0.538	44%	0.436	S	S	.	.	S	Bend	trans	-104.8	4.7	-179.1	-69.6	0	0	0	0	113.9	D625 A630	D625-S628 PolarHBondContact OD1-N 3.33Å; D625-S628 VanDerWaalsContact OD1-N 3.11Å; S628-A630 PolarHBondContact O-N 3.11Å; S628-A630 VanDerWaalsContact O-N 3.16Å
629	H	95.8	Very high	94.2	Very high	131 Å²	131	83.5 Å²	83.5	61%	0.606	44%	0.439	S	S	*	.			trans	58.7	19.3	179.5	-60.9	-70	0	0	0	115.8	D625	D625-H629 CarbonylContact O-C 3.54Å; D625-H629 VanDerWaalsContact O-CA 3.24Å; D625-H629 WeakPolarHBondContact O-CA 3.38Å; D625-H629 PolarHBondContact O-N 3Å; D625-H629 VanDerWaalsContact O-N 3.11Å
630	A	96	Very high	94.3	Very high	38 Å²	38	89.3 Å²	89.3	31%	0.314	46%	0.464	S	S	.	.			trans	-80.1	151.3	179.2	0	0	0	0	0	112.6	H624 D625 S628	H624-A630 CarbonylContact C-O 3.6Å; H624-A630 WeakPolarHBondContact CA-O 3.37Å; H624-A630 WeakPolarHBondContact CB-O 3.47Å; D625-A630 HydrophobicContact CB-CB 4.17Å; D625-A630 PolarHBondContact N-O 3.42Å; D625-A630 PolarHBondContact O-N 2.93Å; S628-A630 PolarHBondContact O-N 3.11Å; S628-A630 VanDerWaalsContact O-N 3.16Å
631	P	94.8	Very high	94.5	Very high	90 Å²	90	91.3 Å²	91.3	58%	0.584	48%	0.477	S	S	*	.	S	Bend	cis	-70.1	151.4	-3.2	31.5	-36.3	0	0	0	112.5
632	D	95.3	Very high	94.9	Very high	133 Å²	133	88.2 Å²	88.2	71%	0.711	46%	0.462	S	S	*	.			trans	-119.2	167.6	179	-161.4	-6	0	0	0	110.2
633	S	93.2	Very high	95.3	Very high	101 Å²	101	83.8 Å²	83.8	71%	0.706	45%	0.45	S	S	*	.			trans	-64.7	153.8	170.9	60.1	0	0	0	0	112.9
634	V	94.3	Very high	95.7	Very high	83 Å²	83	85.4 Å²	85.4	50%	0.503	45%	0.452	S	S	.	.			trans	-128.2	141	177.2	177.7	0	0	0	0	107.8	E638 L639	V634-E638 HydrophobicContact CG1-CB 3.58Å; V634-L639 HydrophobicContact CB-CD2 4.18Å; V634-L639 HydrophobicContact CG1-CD2 3.86Å; V634-L639 HydrophobicContact CG1-CG 4.1Å
635	S	95.4	Very high	95.7	Very high	54 Å²	54	85.7 Å²	85.7	38%	0.378	46%	0.464	S	S	.	.			trans	-76.2	151.6	-175.8	69.7	0	0	0	0	112.9	E637 E638 L639	S635-E637 PolarHBondContact O-N 3.29Å; S635-E637 VanDerWaalsContact O-N 3.13Å; S635-E638 VanDerWaalsContact CB-OE2 3.3Å; S635-E638 WeakPolarHBondContact CB-OE2 3.44Å; S635-E638 PolarHBondContact N-OE2 2.61Å; S635-E638 WeakPolarHBondContact O-CA 3.46Å; S635-E638 WeakPolarHBondContact O-CB 3.28Å; S635-E638 PolarHBondContact O-N 3.01Å; S635-E638 WeakPolarHBondContact OG-CG 3.41Å; S635-E638 PolarHBondContact OG-N 3.22Å; S635-E638 PolarHBondContact OG-OE2 3.22Å; S635-L639 WeakPolarHBondContact O-CG 3.45Å; S635-L639 PolarHBondContact O-N 2.78Å
636	E	95.1	Very high	95.5	Very high	108 Å²	108	87.9 Å²	87.9	51%	0.505	48%	0.477	S	S	.	.	H	α-helix	trans	-58.2	-26.1	174.9	-69.3	-69.4	162	0	0	112.7	K640	E636-K640 VanDerWaalsContact O-CB 3.25Å; E636-K640 WeakPolarHBondContact O-CB 3.47Å; E636-K640 PolarHBondContact O-N 3.46Å
637	E	96.1	Very high	95.3	Very high	172 Å²	172	94.9 Å²	94.9	80%	0.804	51%	0.505	S	S	*	.	H	α-helix	trans	-70.5	-33.5	173.5	-60.7	-159.5	147.4	0	0	112.8	S635 P641	S635-E637 PolarHBondContact O-N 3.29Å; S635-E637 VanDerWaalsContact O-N 3.13Å; E637-P641 VanDerWaalsContact O-CD 3.24Å; E637-P641 WeakPolarHBondContact O-CD 3.17Å
638	E	95.4	Very high	94.9	Very high	111 Å²	111	101.8 Å²	101.8	52%	0.519	53%	0.529	S	S	.	.	H	α-helix	trans	-80.6	-28.8	174.6	-68.9	164.4	116.6	0	0	112.8	V634 S635 P641 Y642	V634-E638 HydrophobicContact CG1-CB 3.58Å; S635-E638 VanDerWaalsContact CB-OE2 3.3Å; S635-E638 WeakPolarHBondContact CB-OE2 3.44Å; S635-E638 PolarHBondContact N-OE2 2.61Å; S635-E638 WeakPolarHBondContact O-CA 3.46Å; S635-E638 WeakPolarHBondContact O-CB 3.28Å; S635-E638 PolarHBondContact O-N 3.01Å; S635-E638 WeakPolarHBondContact OG-CG 3.41Å; S635-E638 PolarHBondContact OG-N 3.22Å; S635-E638 PolarHBondContact OG-OE2 3.22Å; E638-P641 WeakPolarHBondContact O-CD 3.21Å; E638-Y642 WeakPolarHBondContact O-CD2 3.47Å; E638-Y642 WeakPolarHBondContact O-CE2 3.32Å
639	L	96.4	Very high	94.3	Very high	18 Å²	18	103.6 Å²	103.6	9%	0.094	54%	0.539	C	S	.	.	H	α-helix	trans	-74.1	-34.9	175.1	-64.6	176.1	0	0	0	112.4	V634 S635 Y642 H643 I644 V646	V634-L639 HydrophobicContact CB-CD2 4.18Å; V634-L639 HydrophobicContact CG1-CD2 3.86Å; V634-L639 HydrophobicContact CG1-CG 4.1Å; S635-L639 WeakPolarHBondContact O-CG 3.45Å; S635-L639 PolarHBondContact O-N 2.78Å; L639-Y642 WeakPolarHBondContact O-CA 3.49Å; L639-Y642 WeakPolarHBondContact O-CB 3.48Å; L639-Y642 PolarHBondContact O-N 2.77Å; L639-H643 PolarHBondContact O-N 3.47Å; L639-I644 HydrophobicContact CB-CG1 4.08Å; L639-I644 HydrophobicContact CD2-CD1 3.72Å; L639-I644 HydrophobicContact CD2-CG1 3.93Å; L639-V646 HydrophobicContact CD1-CG2 3.82Å
640	K	96.2	Very high	93.4	Very high	160 Å²	160	103.8 Å²	103.8	70%	0.696	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-54.3	-41.9	-175.4	175.3	179.2	-179	-179	0	115.3	E636 Y642 H643	E636-K640 VanDerWaalsContact O-CB 3.25Å; E636-K640 WeakPolarHBondContact O-CB 3.47Å; E636-K640 PolarHBondContact O-N 3.46Å; K640-Y642 PolarHBondContact O-N 2.91Å; K640-H643 PolarHBondContact O-N 3.39Å
641	P	96.8	Very high	91.6	Very high	57 Å²	57	111.2 Å²	111.2	37%	0.37	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-64.8	-11.6	173.6	-23.8	34.9	0	0	0	115.7	E637 E638	E637-P641 VanDerWaalsContact O-CD 3.24Å; E637-P641 WeakPolarHBondContact O-CD 3.17Å; E638-P641 WeakPolarHBondContact O-CD 3.21Å
642	Y	97	Very high	89.6	Confident	78 Å²	78	110.4 Å²	110.4	31%	0.306	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-106.8	1.8	178.2	-58.9	-73.6	0	0	0	112.7	P242 S243 R244 E638 L639 K640 I644	P242-Y642 HydrophobicContact CB-CD1 3.99Å; P242-Y642 HydrophobicContact CB-CG 4.18Å; P242-Y642 HydrophobicContact CG-CD1 3.91Å; P242-Y642 HydrophobicContact CG-CG 4.01Å; S243-Y642 WeakPolarHBondContact O-CD1 3.12Å; R244-Y642 HydrophobicContact CG-CD1 4.11Å; R244-Y642 HydrophobicContact CG-CE1 3.87Å; E638-Y642 WeakPolarHBondContact O-CD2 3.47Å; E638-Y642 WeakPolarHBondContact O-CE2 3.32Å; L639-Y642 WeakPolarHBondContact O-CA 3.49Å; L639-Y642 WeakPolarHBondContact O-CB 3.48Å; L639-Y642 PolarHBondContact O-N 2.77Å; K640-Y642 PolarHBondContact O-N 2.91Å; Y642-I644 PolarHBondContact O-N 3.08Å
643	H	96.2	Very high	87.2	Confident	120 Å²	120	108.2 Å²	108.2	56%	0.556	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	58.8	27.6	177.6	-55.7	-85.7	0	0	0	114.9	P246 L639 K640	P246-H643 HydrophobicContact CB-CB 4.44Å; L639-H643 PolarHBondContact O-N 3.47Å; K640-H643 PolarHBondContact O-N 3.39Å
644	I	95.3	Very high	84.7	Confident	58 Å²	58	106.9 Å²	106.9	30%	0.297	60%	0.596	S	S	.	*			trans	-110.8	156.6	178.1	58.6	-176.3	0	0	0	111.4	P242 F249 L639 Y642	P242-I644 HydrophobicContact CB-CD1 4.41Å; P242-I644 HydrophobicContact CG-CD1 4.23Å; F249-I644 HydrophobicContact CE1-CG2 4.29Å; F249-I644 HydrophobicContact CZ-CG2 4.1Å; L639-I644 HydrophobicContact CB-CG1 4.08Å; L639-I644 HydrophobicContact CD2-CD1 3.72Å; L639-I644 HydrophobicContact CD2-CG1 3.93Å; Y642-I644 PolarHBondContact O-N 3.08Å
645	S	93.6	Very high	82.2	Confident	88 Å²	88	106.6 Å²	106.6	62%	0.615	61%	0.611	S	S	*	*			trans	-144.5	147.1	172.2	59.1	0	0	0	0	110.4	K647	S645-K647 PolarHBondContact O-N 3.01Å
646	V	93	Very high	79.4	Confident	65 Å²	65	117.7 Å²	117.7	39%	0.394	65%	0.652	S	S	.	*			trans	-79.5	116.8	-175.8	-176	0	0	0	0	110.5	L639 W648	L639-V646 HydrophobicContact CD1-CG2 3.82Å; V646-W648 HydrophobicContact CB-CZ2 4.11Å; V646-W648 HydrophobicContact CG1-CD2 3.79Å; V646-W648 HydrophobicContact CG1-CE3 4.15Å; V646-W648 HydrophobicContact CG1-CG 4.29Å; V646-W648 HydrophobicContact CG1-CH2 4.07Å; V646-W648 HydrophobicContact CG1-CZ2 3.7Å; V646-W648 HydrophobicContact CG1-CZ3 4.28Å; V646-W648 PolarHBondContact O-N 3.2Å
647	K	92.2	Very high	78.6	Confident	200 Å²	200	118.2 Å²	118.2	87%	0.87	66%	0.659	S	S	*	*			trans	-84	92.8	166.7	-71.7	-174.7	178.3	179.3	0	109.6	S645	S645-K647 PolarHBondContact O-N 3.01Å
648	W	87.1	Confident	77.7	Confident	195 Å²	195	115.3 Å²	115.3	74%	0.739	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-60.3	140.6	171.8	-59.9	102	0	0	0	110.8	V646 T650	V646-W648 HydrophobicContact CB-CZ2 4.11Å; V646-W648 HydrophobicContact CG1-CD2 3.79Å; V646-W648 HydrophobicContact CG1-CE3 4.15Å; V646-W648 HydrophobicContact CG1-CG 4.29Å; V646-W648 HydrophobicContact CG1-CH2 4.07Å; V646-W648 HydrophobicContact CG1-CZ2 3.7Å; V646-W648 HydrophobicContact CG1-CZ3 4.28Å; V646-W648 PolarHBondContact O-N 3.2Å; W648-T650 PolarHBondContact O-N 2.99Å
649	P	85.9	Confident	76.7	Confident	115 Å²	115	115.6 Å²	115.6	75%	0.747	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-58	129.1	170.2	-21.6	33	0	0	0	109.9	E651	P649-E651 PolarHBondContact O-N 3.16Å
650	T	76.8	Confident	75.5	Confident	135 Å²	135	121.3 Å²	121.3	83%	0.828	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-60.6	131.3	166.6	47.8	0	0	0	0	108.8	W648 G652	W648-T650 PolarHBondContact O-N 2.99Å; T650-G652 PolarHBondContact O-N 3.04Å
651	E	57.4	Low	74.2	Confident	195 Å²	195	118.9 Å²	118.9	91%	0.911	69%	0.692	S	S	*	*			trans	-56.7	104.6	177.1	-66.3	-172.3	146.7	0	0	110.2	P649 G653	P649-E651 PolarHBondContact O-N 3.16Å; E651-G653 PolarHBondContact O-N 3.4Å
652	G	52.4	Low	72.7	Confident	72 Å²	72	123 Å²	123	74%	0.742	71%	0.713	S	S	*	*			trans	-65.4	122.9	171.9	0	0	0	0	0	108.4	T650 G654	T650-G652 PolarHBondContact O-N 3.04Å; G652-G654 VanDerWaalsContact C-N 3.34Å; G652-G654 PolarHBondContact O-N 3.45Å
653	G	45.4	Very low	71	Confident	87 Å²	87	126.2 Å²	126.2	90%	0.897	74%	0.743	S	S	*	*			trans	-62.3	83.7	-168.3	0	0	0	0	0	114.8	E651	E651-G653 PolarHBondContact O-N 3.4Å
654	G	40.2	Very low	69	Low	73 Å²	73	126.7 Å²	126.7	75%	0.753	76%	0.757	S	S	*	*			trans	-72.8	125.2	162.2	0	0	0	0	0	109.9	G652	G652-G654 VanDerWaalsContact C-N 3.34Å; G652-G654 PolarHBondContact O-N 3.45Å
655	G	41.8	Very low	66.8	Low	78 Å²	78	132.4 Å²	132.4	80%	0.804	80%	0.795	S	S	*	*			trans	-67	168.1	174.1	0	0	0	0	0	113.1
656	K	36.4	Very low	64.4	Low	286 Å²	286	136.5 Å²	136.5	100%	1.243	81%	0.812	S	S	*	*			trans	-67.1	0	165.8	-66.3	178.4	177	178.5	0	111.5

Retrieved 656 of 656 residues in 750.9 ms (Link to these results)

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