A0A087YL24_POEFO Loading...

Set1/Ash2 histone methyltransferase complex subunit ASH2

Transcriptional regulator. Component or associated component of some histone methyltransferase complexes which regulates transcription through recruitment of those complexes to gene promoters. Component of the Set1/Ash2 histone methyltransferase (HMT) complex, a complex that specifically methylates 'Lys-4' of histone H3, but not if the neighboring 'Lys-9' residue is already methylated. As part of the MLL1/MLL complex it is involved in methylation and dimethylation at 'Lys-4' of histone H3. May play a role in hematopoiesis. In association with RBBP5 and WDR5, stimulates the histone methyltransferase activities of KMT2A, KMT2B, KMT2C, KMT2D, SETD1A and SETD1B.

AlphaFold DB , UniProt , Accession A0A087YL24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 594 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	32.2	Very low	238 Å²	238	135.5 Å²	135.5	100%	1.172	84%	0.842	S	S	*	*				0	90.9	0	-58.7	-156.9	-149.3	0	0	105.6
2	A	33.6	Very low	31.9	Very low	105 Å²	105	132.8 Å²	132.8	87%	0.868	84%	0.842	S	S	*	*				59.5	119.5	89.1	0	0	0	0	0	110.2
3	S	34.4	Very low	31.6	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	84%	0.843	S	S	*	*			cis	-153.2	146.5	38.3	50.9	0	0	0	0	109.8
4	E	37.9	Very low	31.6	Very low	168 Å²	168	134.6 Å²	134.6	79%	0.785	85%	0.845	S	S	*	*				47.9	137.7	79.4	-74.1	-169.9	165.8	0	0	113.4
5	L	35.8	Very low	31.4	Very low	138 Å²	138	138.7 Å²	138.7	72%	0.723	85%	0.846	S	S	*	*			cis	-173.2	163.7	14.9	-122.2	159	0	0	0	108.4
6	Q	31.6	Very low	31.3	Very low	185 Å²	185	138.5 Å²	138.5	86%	0.864	84%	0.838	S	S	*	*			trans	126.4	123.3	137.6	-92.5	176.2	0.3	0	0	119.9
7	A	32.2	Very low	31.2	Very low	100 Å²	100	139 Å²	139	83%	0.826	83%	0.834	S	S	*	*			trans	-88	165.5	175.2	0	0	0	0	0	112
8	G	27.3	Very low	31	Very low	82 Å²	82	136.2 Å²	136.2	85%	0.845	83%	0.828	S	S	*	*			trans	-159.9	96.3	166.8	0	0	0	0	0	111.6
9	T	28.8	Very low	31	Very low	135 Å²	135	136.6 Å²	136.6	83%	0.828	83%	0.831	S	S	*	*			trans	-86	138.5	167.4	-13.2	0	0	0	0	109.2
10	V	29.4	Very low	30.8	Very low	148 Å²	148	133.7 Å²	133.7	90%	0.897	83%	0.83	S	S	*	*			trans	-142.3	130.7	154.1	-175	0	0	0	0	109.1
11	A	29.9	Very low	30.7	Very low	85 Å²	85	135.4 Å²	135.4	70%	0.702	83%	0.834	S	S	*	*			trans	-109.6	159.3	177	0	0	0	0	0	111.3
12	A	28.6	Very low	30.5	Very low	102 Å²	102	128 Å²	128	84%	0.843	81%	0.81	S	S	*	*			trans	71.8	126	146.9	0	0	0	0	0	121
13	A	28.3	Very low	30.2	Very low	104 Å²	104	128 Å²	128	86%	0.86	80%	0.803	S	S	*	*				-161	113.7	127.5	0	0	0	0	0	110.7
14	E	31	Very low	29.8	Very low	187 Å²	187	132.9 Å²	132.9	87%	0.874	81%	0.812	S	S	*	*			trans	-78.3	159.3	159.7	-74	175.3	133.3	0	0	111.1
15	K	28.7	Very low	29.2	Very low	197 Å²	197	128 Å²	128	86%	0.857	81%	0.806	S	S	*	*			trans	-167.4	107.4	141.4	-107.1	177.3	-177.5	-176.4	0	110.8
16	D	30.8	Very low	28.7	Very low	135 Å²	135	130.9 Å²	130.9	72%	0.722	82%	0.816	S	S	*	*				35.2	145.5	113.3	-72.3	-14	0	0	0	119.3
17	L	28.5	Very low	28.6	Very low	147 Å²	147	130.8 Å²	130.8	77%	0.77	82%	0.816	S	S	*	*			cis	-177.7	175.1	12.2	-111.1	164.9	0	0	0	109
18	A	28.2	Very low	29	Very low	88 Å²	88	131.5 Å²	131.5	73%	0.727	81%	0.812	S	S	*	*			trans	106	99.9	159.6	0	0	0	0	0	115.7
19	V	31.3	Very low	29.6	Very low	144 Å²	144	132.5 Å²	132.5	87%	0.873	80%	0.804	S	S	*	*				77.9	120.1	65.8	179.2	0	0	0	0	113.6
20	G	27	Very low	29.6	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	80%	0.8	S	S	*	*			trans	178.2	122.5	164.9	0	0	0	0	0	112
21	D	28.6	Very low	29.4	Very low	170 Å²	170	133.2 Å²	133.2	91%	0.909	80%	0.802	S	S	*	*			trans	-102.6	173.7	-163.3	-169	13.4	0	0	0	113.3
22	A	28.1	Very low	29.3	Very low	82 Å²	82	136.2 Å²	136.2	68%	0.678	81%	0.806	S	S	*	*			trans	94.4	100.3	154.2	0	0	0	0	0	122.2
23	S	27.7	Very low	29.3	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	81%	0.81	S	S	*	*				51.4	141.6	109.3	-133.8	0	0	0	0	126.1
24	F	26.9	Very low	29.1	Very low	210 Å²	210	142.2 Å²	142.2	92%	0.921	81%	0.81	S	S	*	*			trans	71.5	131.6	151.6	-85.9	-74.8	0	0	0	122.8
25	G	25.2	Very low	28.9	Very low	65 Å²	65	138.3 Å²	138.3	67%	0.67	80%	0.803	S	S	*	*			trans	138.2	102.5	136.4	0	0	0	0	0	119.7
26	E	24.8	Very low	28.8	Very low	200 Å²	200	133.8 Å²	133.8	94%	0.935	80%	0.796	S	S	*	*			trans	76.2	118.3	135.2	-69.5	-175.5	133.6	0	0	124.2
27	Q	29.4	Very low	28.5	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	80%	0.803	S	S	*	*			trans	-66.8	176.7	143.2	-79.5	-177.7	-40.9	0	0	110.8
28	P	39.7	Very low	28.4	Very low	114 Å²	114	129.9 Å²	129.9	74%	0.74	80%	0.804	S	S	*	*			cis	-146.3	-143.7	24.1	42.2	-17.5	0	0	0	111.9
29	P	41.4	Very low	28.3	Very low	104 Å²	104	135 Å²	135	68%	0.675	81%	0.809	S	S	*	*			cis	-126.6	152.6	-19.7	27.6	-4.6	0	0	0	114.4
30	S	27.4	Very low	28	Very low	107 Å²	107	137.1 Å²	137.1	75%	0.748	81%	0.81	S	S	*	*				47.1	128	100	96.1	0	0	0	0	118.9
31	M	26.8	Very low	27.9	Very low	190 Å²	190	136.9 Å²	136.9	94%	0.936	81%	0.808	S	S	*	*			trans	-171.2	120.5	131.2	-105.9	177.7	173.8	0	0	112.2
32	D	27.6	Very low	27.9	Very low	148 Å²	148	137.3 Å²	137.3	79%	0.791	81%	0.806	S	S	*	*			trans	-72.5	159.1	163.8	-60.3	-66.3	0	0	0	111.6
33	T	27.4	Very low	27.7	Very low	152 Å²	152	142 Å²	142	93%	0.933	81%	0.814	S	S	*	*			trans	-164.2	131.2	135.3	9.5	0	0	0	0	111.8
34	E	23.9	Very low	27.7	Very low	181 Å²	181	142 Å²	142	85%	0.846	82%	0.82	S	S	*	*			trans	-86.9	160.5	178.8	-68.8	178.5	110.1	0	0	113.6
35	S	26.9	Very low	27.7	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	82%	0.819	S	S	*	*			trans	89.6	128.6	133.7	77.1	0	0	0	0	122.7
36	S	27.1	Very low	27.7	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	82%	0.823	S	S	*	*				116	100.9	123.3	73.1	0	0	0	0	119.6
37	S	25.4	Very low	27.8	Very low	126 Å²	126	136.5 Å²	136.5	88%	0.881	82%	0.824	S	S	*	*				62	133.5	123.3	66.3	0	0	0	0	123.9
38	G	25.6	Very low	27.6	Very low	75 Å²	75	131.1 Å²	131.1	77%	0.773	82%	0.818	S	S	*	*			trans	128.8	84	151.1	0	0	0	0	0	113.6
39	K	26.5	Very low	27.1	Very low	196 Å²	196	131.5 Å²	131.5	85%	0.852	82%	0.823	S	S	*	*				83.4	136.5	77.6	-148.7	-174.4	-169.6	-172.6	0	114.3
40	E	25.5	Very low	26.5	Very low	187 Å²	187	136.4 Å²	136.4	87%	0.874	84%	0.837	S	S	*	*			trans	87.7	130.5	170.8	-53.5	-175.4	172	0	0	116.4
41	G	25	Very low	26.7	Very low	75 Å²	75	135.6 Å²	135.6	77%	0.773	84%	0.837	S	S	*	*			cis	176.7	152.2	-0.8	0	0	0	0	0	111.8
42	M	26.7	Very low	26.9	Very low	178 Å²	178	131.6 Å²	131.6	88%	0.877	83%	0.834	S	S	*	*			trans	67.7	98.6	151.4	-125.4	98.4	112.9	0	0	123.6
43	E	25.5	Very low	26.9	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	84%	0.837	S	S	*	*				26.3	136.1	120.6	-56.5	-173.5	150.5	0	0	124.6
44	A	27.1	Very low	27.2	Very low	103 Å²	103	129 Å²	129	85%	0.851	83%	0.826	S	S	*	*				149.6	142.3	125.8	0	0	0	0	0	109.8
45	A	26.4	Very low	27.7	Very low	108 Å²	108	128.8 Å²	128.8	89%	0.893	83%	0.83	S	S	*	*			cis	-171.2	161	-5	0	0	0	0	0	108.2
46	G	25.1	Very low	28.1	Very low	74 Å²	74	130 Å²	130	76%	0.763	83%	0.833	S	S	*	*			trans	132.1	88.3	160	0	0	0	0	0	114.6
47	D	27.4	Very low	28.4	Very low	177 Å²	177	128.3 Å²	128.3	95%	0.947	83%	0.831	S	S	*	*				85.9	126.2	93.7	-147.1	25.8	0	0	0	111.6
48	G	25.9	Very low	29	Very low	71 Å²	71	128 Å²	128	73%	0.732	83%	0.829	S	S	*	*			cis	164.1	120.3	2.6	0	0	0	0	0	106.9
49	S	28	Very low	29.4	Very low	122 Å²	122	127.6 Å²	127.6	85%	0.853	83%	0.826	S	S	*	*			trans	-150.9	105.2	160.6	79.2	0	0	0	0	109.6	A51	S49-A51 PolarHBondContact O-N 3.31Å
50	E	29.9	Very low	29.9	Very low	207 Å²	207	125.4 Å²	125.4	97%	0.967	82%	0.823	S	S	*	*			trans	-69.6	119	178.2	-67.7	178.4	129.7	0	0	110.6
51	A	31	Very low	30.5	Very low	89 Å²	89	125.2 Å²	125.2	74%	0.736	82%	0.822	S	S	*	*			trans	-103.1	129.2	157.9	0	0	0	0	0	107.3	S49 D53	S49-A51 PolarHBondContact O-N 3.31Å; A51-D53 PolarHBondContact O-N 3.02Å
52	A	30.1	Very low	31.6	Very low	107 Å²	107	131.4 Å²	131.4	88%	0.884	83%	0.831	S	S	*	*			trans	-62.8	113.4	-179.8	0	0	0	0	0	111	A54	A52-A54 PolarHBondContact O-N 3.45Å
53	D	28	Very low	32.7	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	82%	0.823	S	S	*	*			trans	-66.2	119.2	170	-88.5	-33.6	0	0	0	110.2	A51 L55	A51-D53 PolarHBondContact O-N 3.02Å; D53-L55 PolarHBondContact O-N 3.49Å
54	A	33.4	Very low	34.6	Very low	85 Å²	85	122 Å²	122	70%	0.702	81%	0.812	S	S	*	*			trans	-71.4	120.5	165.5	0	0	0	0	0	108.8	A52 T56	A52-A54 PolarHBondContact O-N 3.45Å; A54-T56 PolarHBondContact O-N 3.41Å
55	L	35.2	Very low	37.3	Very low	177 Å²	177	119.5 Å²	119.5	93%	0.927	78%	0.781	S	S	*	*			trans	-54.1	93.3	172.8	-80.9	151.8	0	0	0	111.4	D53 G57	D53-L55 PolarHBondContact O-N 3.49Å; L55-G57 PolarHBondContact O-N 2.92Å
56	T	34.7	Very low	40.1	Very low	130 Å²	130	119.4 Å²	119.4	80%	0.798	76%	0.762	S	S	*	*			trans	-78.3	91.4	163.5	46.1	0	0	0	0	108.9	A54 S58	A54-T56 PolarHBondContact O-N 3.41Å; T56-S58 PolarHBondContact O-N 2.83Å; T56-S58 VanDerWaalsContact O-N 3.09Å
57	G	33.9	Very low	43	Very low	65 Å²	65	118.8 Å²	118.8	67%	0.67	74%	0.74	S	S	*	*			trans	-72.4	93.1	168.6	0	0	0	0	0	111	L55 G59	L55-G57 PolarHBondContact O-N 2.92Å; G57-G59 PolarHBondContact O-N 2.72Å
58	S	38.6	Very low	45.8	Very low	119 Å²	119	110.9 Å²	110.9	83%	0.832	70%	0.701	S	S	*	*			trans	-77.2	94.5	162.7	59.6	0	0	0	0	109	T56 D60	T56-S58 PolarHBondContact O-N 2.83Å; T56-S58 VanDerWaalsContact O-N 3.09Å; S58-D60 PolarHBondContact O-N 2.83Å
59	G	33.1	Very low	48.9	Very low	68 Å²	68	112.5 Å²	112.5	70%	0.701	69%	0.69	S	S	*	*			trans	-93.2	80.7	174.5	0	0	0	0	0	111.6	G57	G57-G59 PolarHBondContact O-N 2.72Å
60	D	38.4	Very low	51.9	Low	150 Å²	150	107.4 Å²	107.4	80%	0.802	65%	0.653	S	S	*	*			trans	-114.5	89.7	159.3	-118.3	-1.1	0	0	0	106.7	S58	S58-D60 PolarHBondContact O-N 2.83Å
61	E	37.9	Very low	55	Low	182 Å²	182	98 Å²	98	85%	0.85	61%	0.609	S	S	*	*	S	Bend	trans	-167.7	143	147.2	-76.5	-144.3	137.9	0	0	107.2	S63	E61-S63 VanDerWaalsContact C-N 3.3Å; E61-S63 PolarHBondContact O-N 3.35Å
62	E	46.3	Very low	57.9	Low	205 Å²	205	93.8 Å²	93.8	96%	0.958	57%	0.574	S	S	*	*			trans	-59.4	77.1	-174.8	-169	175.7	-177	0	0	112.7	G64	E62-G64 PolarHBondContact O-N 2.75Å
63	S	51.9	Low	60.9	Low	103 Å²	103	90.2 Å²	90.2	72%	0.72	54%	0.539	S	S	*	.			trans	-84.5	105.7	175.4	-68.7	0	0	0	0	109.8	E61	E61-S63 VanDerWaalsContact C-N 3.3Å; E61-S63 PolarHBondContact O-N 3.35Å
64	G	64.6	Low	63.9	Low	59 Å²	59	82.6 Å²	82.6	61%	0.608	50%	0.499	S	S	*	.			trans	-57.5	160.2	167.3	0	0	0	0	0	111.9	E62 Q66	E62-G64 PolarHBondContact O-N 2.75Å; G64-Q66 PolarHBondContact O-N 2.76Å
65	R	83.2	Confident	66.5	Low	51 Å²	51	79.4 Å²	79.4	19%	0.192	47%	0.472	C	S	.	.			trans	-57.7	131.1	179.8	-71.3	-163.1	62.1	-176.2	-0.2	112.1	L67 E71 W80 L218 G219 I221	R65-L67 VanDerWaalsContact C-N 3.33Å; R65-L67 HydrophobicContact CB-CD2 3.7Å; R65-L67 HydrophobicContact CB-CG 4.26Å; R65-L67 PolarHBondContact O-N 3.49Å; R65-E71 WeakPolarHBondContact CA-OE1 3.35Å; R65-E71 IonicContact CZ-OE2 2.71Å; R65-E71 IonicContact NE-OE2 3.5Å; R65-E71 PolarHBondContact NE-OE2 3.1Å; R65-E71 IonicContact NH2-OE2 2.82Å; R65-E71 PolarHBondContact NH2-OE2 3.3Å; R65-W80 HydrophobicContact CG-CB 4.41Å; R65-W80 HydrophobicContact CG-CD2 4.35Å; R65-W80 HydrophobicContact CG-CG 4.03Å; R65-W80 VanDerWaalsContact CZ-CH2 3.43Å; R65-W80 VanDerWaalsContact NH1-CZ2 3.3Å; R65-W80 VanDerWaalsContact NH2-CZ3 3.33Å; R65-L218 PolarHBondContact NH1-O 2.94Å; R65-G219 WeakPolarHBondContact CD-O 2.93Å; R65-G219 PolarHBondContact NH1-O 3.28Å; R65-I221 PolarHBondContact NH1-O 2.96Å
66	Q	85.3	Confident	68.8	Low	107 Å²	107	75.7 Å²	75.7	50%	0.5	45%	0.453	S	S	.	.			trans	-88.3	72.9	173.6	-63.1	-179.5	18.6	0	0	109.4	G64 G68 E69 E71	G64-Q66 PolarHBondContact O-N 2.76Å; Q66-G68 PolarHBondContact O-N 3.08Å; Q66-E69 PolarHBondContact O-N 3.17Å; Q66-E71 PolarHBondContact N-OE1 3.21Å
67	L	87.4	Confident	71.3	Confident	60 Å²	60	71.6 Å²	71.6	31%	0.314	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	128.4	-176.5	-53.5	178.5	0	0	0	110.6	R65 F96 W135 L218	R65-L67 VanDerWaalsContact C-N 3.33Å; R65-L67 HydrophobicContact CB-CD2 3.7Å; R65-L67 HydrophobicContact CB-CG 4.26Å; R65-L67 PolarHBondContact O-N 3.49Å; L67-F96 HydrophobicContact CB-CE1 4.27Å; L67-F96 HydrophobicContact CB-CZ 4.18Å; L67-F96 HydrophobicContact CD2-CE1 4.05Å; L67-W135 VanDerWaalsContact C-NE1 3.33Å; L67-W135 WeakPolarHBondContact O-CZ2 3.35Å; L67-W135 PolarHBondContact O-NE1 2.95Å; L67-L218 HydrophobicContact CD1-CB 4.28Å
68	G	84.9	Confident	74	Confident	11 Å²	11	72.3 Å²	72.3	11%	0.113	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	114.5	-23.2	-177.1	0	0	0	0	0	113.8	Q66 P95	Q66-G68 PolarHBondContact O-N 3.08Å; G68-P95 WeakPolarHBondContact O-CG 3.35Å
69	E	90.6	Very high	76.5	Confident	106 Å²	106	72.3 Å²	72.3	50%	0.495	40%	0.401	S	S	.	.	S	Bend	trans	-91.8	166.9	171.7	-64.6	-56.2	146.5	0	0	111.7	Q66 E71 P95	Q66-E69 PolarHBondContact O-N 3.17Å; E69-E71 PolarHBondContact O-N 3.21Å; E69-P95 WeakPolarHBondContact O-CB 3.02Å
70	V	92.3	Very high	79.3	Confident	15 Å²	15	72.1 Å²	72.1	9%	0.091	38%	0.379	C	S	.	.			trans	-75.9	96	172.2	-177.8	0	0	0	0	108.9	A83 T90 C93	V70-A83 HydrophobicContact CB-CB 4.09Å; V70-A83 HydrophobicContact CG1-CB 3.79Å; V70-A83 VanDerWaalsContact O-CB 3.3Å; V70-A83 WeakPolarHBondContact O-CB 3.31Å; V70-A83 PolarHBondContact O-N 3.19Å; V70-T90 HydrophobicContact CB-CG2 4.12Å; V70-T90 HydrophobicContact CG1-CG2 4.44Å; V70-T90 HydrophobicContact CG2-CG2 4.3Å; V70-C93 HydrophobicContact CB-CB 4.4Å; V70-C93 HydrophobicContact CG1-CB 3.5Å; V70-C93 HydrophobicContact CG2-CB 3.98Å
71	E	93.5	Very high	81.9	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.047	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	143.8	175.2	-56.5	-178.4	103.9	0	0	112.3	R65 Q66 E69 W80 F81	R65-E71 WeakPolarHBondContact CA-OE1 3.35Å; R65-E71 IonicContact CZ-OE2 2.71Å; R65-E71 IonicContact NE-OE2 3.5Å; R65-E71 PolarHBondContact NE-OE2 3.1Å; R65-E71 IonicContact NH2-OE2 2.82Å; R65-E71 PolarHBondContact NH2-OE2 3.3Å; Q66-E71 PolarHBondContact N-OE1 3.21Å; E69-E71 PolarHBondContact O-N 3.21Å; E71-W80 HydrophobicContact CB-CE3 3.81Å; E71-W80 HydrophobicContact CB-CZ3 4.13Å; E71-F81 CarbonylContact C-O 3.6Å; E71-F81 WeakPolarHBondContact CA-O 3.27Å
72	L	92.5	Very high	84.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128	-178.7	-57.2	175.9	0	0	0	110.6	F81 A83 I88 Y100 F102 F115	L72-F81 PolarHBondContact N-O 3.45Å; L72-F81 PolarHBondContact O-N 3.45Å; L72-A83 HydrophobicContact CD1-CB 4.19Å; L72-A83 HydrophobicContact CG-CB 4.49Å; L72-I88 HydrophobicContact CD1-CD1 3.44Å; L72-I88 VanDerWaalsContact CD1-CD1 3.44Å; L72-Y100 WeakPolarHBondContact CA-OH 3.41Å; L72-Y100 HydrophobicContact CB-CE2 4.18Å; L72-Y100 HydrophobicContact CD2-CD1 4.05Å; L72-Y100 HydrophobicContact CD2-CD2 4.07Å; L72-Y100 HydrophobicContact CD2-CE1 3.74Å; L72-Y100 HydrophobicContact CD2-CE2 3.83Å; L72-Y100 HydrophobicContact CD2-CG 4.2Å; L72-F102 HydrophobicContact CB-CB 4.11Å; L72-F102 HydrophobicContact CB-CD1 3.71Å; L72-F102 HydrophobicContact CB-CD2 3.96Å; L72-F102 HydrophobicContact CB-CE1 4.15Å; L72-F102 HydrophobicContact CB-CE2 4.3Å; L72-F102 HydrophobicContact CB-CG 3.65Å; L72-F102 HydrophobicContact CB-CZ 4.44Å; L72-F102 HydrophobicContact CD1-CD2 3.61Å; L72-F102 HydrophobicContact CD1-CE2 3.89Å; L72-F102 HydrophobicContact CD1-CG 4.13Å; L72-F102 HydrophobicContact CG-CD2 4.42Å; L72-F102 HydrophobicContact CG-CG 4.49Å; L72-F115 HydrophobicContact CD1-CD2 3.61Å; L72-F115 HydrophobicContact CD1-CE2 3.77Å; L72-F115 HydrophobicContact CD1-CG 4.23Å; L72-F115 HydrophobicContact CD2-CD2 4.08Å; L72-F115 HydrophobicContact CD2-CE2 3.49Å; L72-F115 VanDerWaalsContact CD2-CE2 3.49Å; L72-F115 HydrophobicContact CD2-CZ 4.25Å; L72-F115 HydrophobicContact CG-CD2 4.48Å; L72-F115 HydrophobicContact CG-CE2 4.3Å
73	Q	93.4	Very high	86.3	Confident	32 Å²	32	50.1 Å²	50.1	15%	0.15	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129	174.6	-167.2	179.6	33.6	0	0	110.2	A75 M78 K79 W80 Y100 P223 Y225	Q73-A75 PolarHBondContact O-N 2.93Å; Q73-M78 WeakPolarHBondContact CG-O 3.34Å; Q73-M78 PolarHBondContact NE2-O 3.32Å; Q73-K79 WeakPolarHBondContact CA-O 3.3Å; Q73-W80 HydrophobicContact CB-CD2 3.82Å; Q73-W80 HydrophobicContact CB-CE3 3.89Å; Q73-W80 HydrophobicContact CB-CG 4.5Å; Q73-W80 HydrophobicContact CB-CH2 3.92Å; Q73-W80 HydrophobicContact CB-CZ2 3.84Å; Q73-W80 HydrophobicContact CB-CZ3 3.95Å; Q73-W80 HydrophobicContact CG-CD2 4.18Å; Q73-W80 HydrophobicContact CG-CG 4.48Å; Q73-W80 HydrophobicContact CG-CZ2 4.24Å; Q73-Y100 PolarHBondContact N-OH 2.8Å; Q73-P223 HydrophobicContact CB-CG 4.19Å; Q73-Y225 PolarHBondContact O-OH 3.16Å
74	C	91.1	Very high	87.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.			trans	-73.1	127.5	177	179	0	0	0	0	111.2	L76 C77 M78 K79 F81 F102	C74-L76 PolarHBondContact O-N 3.1Å; C74-L76 VanDerWaalsContact O-N 3.11Å; C74-L76 PolarHBondContact SG-N 3.44Å; C74-C77 VanDerWaalsContact CB-SG 3.51Å; C74-C77 VanDerWaalsContact SG-SG 3.65Å; C74-M78 WeakPolarHBondContact O-CA 3.47Å; C74-M78 PolarHBondContact O-N 2.79Å; C74-K79 PolarHBondContact N-O 3.13Å; C74-F81 HydrophobicContact CB-CD2 4.47Å; C74-F81 HydrophobicContact CB-CE2 3.89Å; C74-F102 CarbonylContact C-O 3.53Å; C74-F102 VanDerWaalsContact CA-O 3.31Å; C74-F102 WeakPolarHBondContact CA-O 3.46Å; C74-F102 HydrophobicContact CB-CD1 4.09Å; C74-F102 HydrophobicContact CB-CE1 4.17Å
75	A	88	Confident	88.8	Confident	18 Å²	18	53.5 Å²	53.5	15%	0.149	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.6	179.1	0	0	0	0	0	114.9	Q73 M78 V101 F102 Y225	Q73-A75 PolarHBondContact O-N 2.93Å; A75-M78 WeakPolarHBondContact O-CE 3.32Å; A75-V101 HydrophobicContact CB-CG1 4.38Å; A75-F102 PolarHBondContact N-O 2.97Å; A75-Y225 HydrophobicContact CB-CD1 3.62Å; A75-Y225 HydrophobicContact CB-CD2 3.95Å; A75-Y225 HydrophobicContact CB-CE1 3.41Å; A75-Y225 VanDerWaalsContact CB-CE1 3.41Å; A75-Y225 HydrophobicContact CB-CE2 3.7Å; A75-Y225 HydrophobicContact CB-CG 3.91Å; A75-Y225 VanDerWaalsContact CB-CZ 3.45Å
76	L	82.5	Confident	88.7	Confident	98 Å²	98	52.8 Å²	52.8	51%	0.513	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-55.1	-174.9	-61.3	176.1	0	0	0	111.6	C74 H103 C107	C74-L76 PolarHBondContact O-N 3.1Å; C74-L76 VanDerWaalsContact O-N 3.11Å; C74-L76 PolarHBondContact SG-N 3.44Å; L76-H103 HydrophobicContact CD1-CB 4.43Å; L76-C107 HydrophobicContact CB-CB 3.79Å; L76-C107 HydrophobicContact CD1-CB 3.72Å; L76-C107 VanDerWaalsContact CD1-O 3.31Å; L76-C107 WeakPolarHBondContact CD1-O 3.37Å; L76-C107 HydrophobicContact CG-CB 4.36Å
77	C	87.7	Confident	88.4	Confident	45 Å²	45	51 Å²	51	30%	0.304	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.8	179.5	65.3	0	0	0	0	114.4	C74 K79 C107	C74-C77 VanDerWaalsContact CB-SG 3.51Å; C74-C77 VanDerWaalsContact SG-SG 3.65Å; C77-K79 HydrophobicContact CB-CG 4.46Å; C77-K79 PolarHBondContact O-N 2.97Å; C77-C107 VanDerWaalsContact CB-SG 3.53Å; C77-C107 VanDerWaalsContact SG-SG 3.66Å
78	M	90.8	Very high	88.2	Confident	79 Å²	79	49.4 Å²	49.4	39%	0.389	27%	0.268	S	S	.	.			trans	60.1	8	-179.3	-54.8	-60.4	171.5	0	0	115.5	Q73 C74 A75 Y225	Q73-M78 WeakPolarHBondContact CG-O 3.34Å; Q73-M78 PolarHBondContact NE2-O 3.32Å; C74-M78 WeakPolarHBondContact O-CA 3.47Å; C74-M78 PolarHBondContact O-N 2.79Å; A75-M78 WeakPolarHBondContact O-CE 3.32Å; M78-Y225 HydrophobicContact CE-CD2 4.22Å; M78-Y225 HydrophobicContact SD-CD2 3.9Å
79	K	90.6	Very high	87.9	Confident	120 Å²	120	55.7 Å²	55.7	52%	0.522	29%	0.294	S	S	.	.			trans	-76.9	148.4	174.8	-64.6	-172.8	176.6	-171.4	0	111.4	Q73 C74 C77 F81	Q73-K79 WeakPolarHBondContact CA-O 3.3Å; C74-K79 PolarHBondContact N-O 3.13Å; C77-K79 HydrophobicContact CB-CG 4.46Å; C77-K79 PolarHBondContact O-N 2.97Å; K79-F81 HydrophobicContact CB-CE2 3.71Å; K79-F81 HydrophobicContact CB-CZ 3.88Å; K79-F81 WeakPolarHBondContact O-CD2 3.03Å; K79-F81 WeakPolarHBondContact O-CE2 3.44Å
80	W	92.8	Very high	87.5	Confident	63 Å²	63	53.4 Å²	53.4	24%	0.239	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	144.2	175.5	-72.7	91.8	0	0	0	111	R65 E71 Q73 I221	R65-W80 HydrophobicContact CG-CB 4.41Å; R65-W80 HydrophobicContact CG-CD2 4.35Å; R65-W80 HydrophobicContact CG-CG 4.03Å; R65-W80 VanDerWaalsContact CZ-CH2 3.43Å; R65-W80 VanDerWaalsContact NH1-CZ2 3.3Å; R65-W80 VanDerWaalsContact NH2-CZ3 3.33Å; E71-W80 HydrophobicContact CB-CE3 3.81Å; E71-W80 HydrophobicContact CB-CZ3 4.13Å; Q73-W80 HydrophobicContact CB-CD2 3.82Å; Q73-W80 HydrophobicContact CB-CE3 3.89Å; Q73-W80 HydrophobicContact CB-CG 4.5Å; Q73-W80 HydrophobicContact CB-CH2 3.92Å; Q73-W80 HydrophobicContact CB-CZ2 3.84Å; Q73-W80 HydrophobicContact CB-CZ3 3.95Å; Q73-W80 HydrophobicContact CG-CD2 4.18Å; Q73-W80 HydrophobicContact CG-CG 4.48Å; Q73-W80 HydrophobicContact CG-CZ2 4.24Å; W80-I221 VanDerWaalsContact CH2-O 3.25Å; W80-I221 WeakPolarHBondContact CH2-O 3.17Å
81	F	92.5	Very high	87	Confident	48 Å²	48	56.2 Å²	56.2	21%	0.211	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.3	178.2	-56	-96.3	0	0	0	110.3	E71 L72 C74 K79 F86 F102 C104	E71-F81 CarbonylContact C-O 3.6Å; E71-F81 WeakPolarHBondContact CA-O 3.27Å; L72-F81 PolarHBondContact N-O 3.45Å; L72-F81 PolarHBondContact O-N 3.45Å; C74-F81 HydrophobicContact CB-CD2 4.47Å; C74-F81 HydrophobicContact CB-CE2 3.89Å; K79-F81 HydrophobicContact CB-CE2 3.71Å; K79-F81 HydrophobicContact CB-CZ 3.88Å; K79-F81 WeakPolarHBondContact O-CD2 3.03Å; K79-F81 WeakPolarHBondContact O-CE2 3.44Å; F81-F86 HydrophobicContact CB-CD2 4.26Å; F81-F86 HydrophobicContact CB-CE2 3.42Å; F81-F86 VanDerWaalsContact CB-CE2 3.42Å; F81-F86 HydrophobicContact CB-CZ 4.27Å; F81-F86 AromaticContact CD1-CE2 3.63Å; F81-F86 HydrophobicContact CD1-CE2 3.63Å; F81-F86 AromaticContact CD1-CZ 3.57Å; F81-F86 HydrophobicContact CD1-CZ 3.57Å; F81-F86 HydrophobicContact CD2-CE2 4.28Å; F81-F86 HydrophobicContact CE1-CE2 4.44Å; F81-F86 AromaticContact CE1-CZ 3.99Å; F81-F86 HydrophobicContact CE1-CZ 3.99Å; F81-F86 AromaticContact CG-CE2 3.53Å; F81-F86 HydrophobicContact CG-CE2 3.53Å; F81-F86 AromaticContact CG-CZ 3.92Å; F81-F86 HydrophobicContact CG-CZ 3.92Å; F81-F102 HydrophobicContact CB-CE1 4.46Å; F81-F102 AromaticContact CD2-CE1 3.68Å; F81-F102 HydrophobicContact CD2-CE1 3.68Å; F81-F102 HydrophobicContact CD2-CZ 4.39Å; F81-F102 HydrophobicContact CE2-CE1 4.28Å; F81-F102 HydrophobicContact CG-CE1 4.32Å; F81-C104 HydrophobicContact CD2-CB 4.38Å; F81-C104 HydrophobicContact CE1-CB 4.3Å; F81-C104 HydrophobicContact CE2-CB 3.77Å; F81-C104 HydrophobicContact CZ-CB 3.73Å
82	T	91.4	Very high	86.4	Confident	26 Å²	26	58 Å²	58	16%	0.16	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.3	169.2	60.1	0	0	0	0	109.9	E84 T85	T82-E84 PolarHBondContact O-N 3.38Å; T82-T85 WeakPolarHBondContact O-CB 3.44Å; T82-T85 PolarHBondContact O-N 2.88Å; T82-T85 VanDerWaalsContact O-N 3.15Å; T82-T85 PolarHBondContact O-OG1 2.77Å; T82-T85 PolarHBondContact OG1-OG1 3.07Å
83	A	86.4	Confident	86.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-59.9	-30.4	179.4	0	0	0	0	0	112.7	V70 L72 T85 F86 G87 I88 T90	V70-A83 HydrophobicContact CB-CB 4.09Å; V70-A83 HydrophobicContact CG1-CB 3.79Å; V70-A83 VanDerWaalsContact O-CB 3.3Å; V70-A83 WeakPolarHBondContact O-CB 3.31Å; V70-A83 PolarHBondContact O-N 3.19Å; L72-A83 HydrophobicContact CD1-CB 4.19Å; L72-A83 HydrophobicContact CG-CB 4.49Å; A83-T85 VanDerWaalsContact C-N 3.32Å; A83-T85 PolarHBondContact O-N 3.28Å; A83-F86 PolarHBondContact O-N 2.62Å; A83-G87 PolarHBondContact O-N 3.11Å; A83-I88 HydrophobicContact CB-CB 4.19Å; A83-I88 HydrophobicContact CB-CG2 4.48Å; A83-I88 PolarHBondContact O-N 3.22Å; A83-T90 HydrophobicContact CB-CG2 3.68Å
84	E	83.9	Confident	86.1	Confident	144 Å²	144	57.4 Å²	57.4	67%	0.673	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-61.4	-37	176.4	-63.7	-171.3	162.2	0	0	112.9	T82 F86 G87	T82-E84 PolarHBondContact O-N 3.38Å; E84-F86 PolarHBondContact O-N 2.84Å; E84-G87 PolarHBondContact O-N 2.87Å
85	T	84.6	Confident	86.2	Confident	89 Å²	89	58.3 Å²	58.3	55%	0.546	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-54.5	-25.2	178.3	-59.9	0	0	0	0	112.2	T82 A83	T82-T85 WeakPolarHBondContact O-CB 3.44Å; T82-T85 PolarHBondContact O-N 2.88Å; T82-T85 VanDerWaalsContact O-N 3.15Å; T82-T85 PolarHBondContact O-OG1 2.77Å; T82-T85 PolarHBondContact OG1-OG1 3.07Å; A83-T85 VanDerWaalsContact C-N 3.32Å; A83-T85 PolarHBondContact O-N 3.28Å
86	F	80.5	Confident	86.5	Confident	36 Å²	36	57.8 Å²	57.8	16%	0.158	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-117.2	13.8	-177.2	-58.5	-67.2	0	0	0	114.4	F81 A83 E84 I88 F102 C104 N105 T113	F81-F86 HydrophobicContact CB-CD2 4.26Å; F81-F86 HydrophobicContact CB-CE2 3.42Å; F81-F86 VanDerWaalsContact CB-CE2 3.42Å; F81-F86 HydrophobicContact CB-CZ 4.27Å; F81-F86 AromaticContact CD1-CE2 3.63Å; F81-F86 HydrophobicContact CD1-CE2 3.63Å; F81-F86 AromaticContact CD1-CZ 3.57Å; F81-F86 HydrophobicContact CD1-CZ 3.57Å; F81-F86 HydrophobicContact CD2-CE2 4.28Å; F81-F86 HydrophobicContact CE1-CE2 4.44Å; F81-F86 AromaticContact CE1-CZ 3.99Å; F81-F86 HydrophobicContact CE1-CZ 3.99Å; F81-F86 AromaticContact CG-CE2 3.53Å; F81-F86 HydrophobicContact CG-CE2 3.53Å; F81-F86 AromaticContact CG-CZ 3.92Å; F81-F86 HydrophobicContact CG-CZ 3.92Å; A83-F86 PolarHBondContact O-N 2.62Å; E84-F86 PolarHBondContact O-N 2.84Å; F86-I88 HydrophobicContact CB-CD1 4.15Å; F86-I88 HydrophobicContact CB-CG1 4.16Å; F86-I88 PolarHBondContact O-N 3.18Å; F86-F102 HydrophobicContact CD2-CE2 4.02Å; F86-F102 AromaticContact CD2-CZ 3.57Å; F86-F102 HydrophobicContact CD2-CZ 3.57Å; F86-F102 HydrophobicContact CE2-CE1 4.23Å; F86-F102 HydrophobicContact CE2-CE2 4.33Å; F86-F102 AromaticContact CE2-CZ 3.43Å; F86-F102 HydrophobicContact CE2-CZ 3.43Å; F86-F102 VanDerWaalsContact CE2-CZ 3.43Å; F86-F102 HydrophobicContact CG-CZ 4.43Å; F86-F102 HydrophobicContact CZ-CZ 4.22Å; F86-C104 HydrophobicContact CE1-CB 4.49Å; F86-C104 HydrophobicContact CZ-CB 3.91Å; F86-N105 HydrophobicContact CE1-CB 4.33Å; F86-N105 WeakPolarHBondContact CE1-OD1 3.4Å; F86-T113 HydrophobicContact CB-CG2 3.64Å; F86-T113 WeakPolarHBondContact CB-OG1 3.46Å; F86-T113 HydrophobicContact CD1-CG2 4.11Å; F86-T113 WeakPolarHBondContact CD1-OG1 3.35Å; F86-T113 HydrophobicContact CD2-CG2 4.17Å; F86-T113 HydrophobicContact CG-CG2 3.71Å; F86-T113 WeakPolarHBondContact CG-OG1 3.13Å
87	G	79.9	Confident	86.9	Confident	70 Å²	70	53.5 Å²	53.5	72%	0.722	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	27.9	179.9	0	0	0	0	0	113.6	A83 E84	A83-G87 PolarHBondContact O-N 3.11Å; E84-G87 PolarHBondContact O-N 2.87Å
88	I	81.9	Confident	87.1	Confident	26 Å²	26	52.1 Å²	52.1	13%	0.133	29%	0.29	C	S	.	.			trans	-76.3	127.5	178	-67.2	169.4	0	0	0	108.5	L72 A83 F86 T90 F102 T113 F115	L72-I88 HydrophobicContact CD1-CD1 3.44Å; L72-I88 VanDerWaalsContact CD1-CD1 3.44Å; A83-I88 HydrophobicContact CB-CB 4.19Å; A83-I88 HydrophobicContact CB-CG2 4.48Å; A83-I88 PolarHBondContact O-N 3.22Å; F86-I88 HydrophobicContact CB-CD1 4.15Å; F86-I88 HydrophobicContact CB-CG1 4.16Å; F86-I88 PolarHBondContact O-N 3.18Å; I88-T90 WeakPolarHBondContact O-CG2 3.15Å; I88-T90 PolarHBondContact O-N 3.34Å; I88-F102 HydrophobicContact CD1-CD2 4.13Å; I88-F102 HydrophobicContact CD1-CE2 3.74Å; I88-T113 HydrophobicContact CD1-CG2 3.99Å; I88-F115 HydrophobicContact CD1-CB 3.75Å; I88-F115 HydrophobicContact CD1-CD1 4.45Å; I88-F115 HydrophobicContact CD1-CG 4.02Å; I88-F115 HydrophobicContact CG1-CB 4.38Å; I88-F115 HydrophobicContact CG2-CD1 3.56Å; I88-F115 HydrophobicContact CG2-CE1 3.8Å; I88-F115 HydrophobicContact CG2-CG 4.19Å
89	E	79.4	Confident	87	Confident	144 Å²	144	48.7 Å²	48.7	67%	0.673	27%	0.273	S	S	*	.			trans	-61.5	107.2	176.2	-171.6	-178.7	-171.7	0	0	110.8	A91	E89-A91 VanDerWaalsContact C-N 3.32Å; E89-A91 HydrophobicContact CG-CB 4.08Å; E89-A91 PolarHBondContact O-N 2.92Å
90	T	82.1	Confident	86.9	Confident	58 Å²	58	43.1 Å²	43.1	36%	0.356	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-82.1	-8.2	-176.3	53.8	0	0	0	0	113.5	V70 A83 I88 T92 C93	V70-T90 HydrophobicContact CB-CG2 4.12Å; V70-T90 HydrophobicContact CG1-CG2 4.44Å; V70-T90 HydrophobicContact CG2-CG2 4.3Å; A83-T90 HydrophobicContact CB-CG2 3.68Å; I88-T90 WeakPolarHBondContact O-CG2 3.15Å; I88-T90 PolarHBondContact O-N 3.34Å; T90-T92 PolarHBondContact O-N 3.46Å; T90-C93 PolarHBondContact O-N 3.47Å
91	A	80.8	Confident	86.7	Confident	73 Å²	73	41 Å²	41	60%	0.603	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-56.3	-25.3	-177.9	0	0	0	0	0	113.6	E89	E89-A91 VanDerWaalsContact C-N 3.32Å; E89-A91 HydrophobicContact CG-CB 4.08Å; E89-A91 PolarHBondContact O-N 2.92Å
92	T	81.1	Confident	86.6	Confident	48 Å²	48	38.8 Å²	38.8	29%	0.294	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-111.5	12.3	179.5	67.5	0	0	0	0	113.8	T90 R117 C164	T90-T92 PolarHBondContact O-N 3.46Å; T92-R117 PolarHBondContact O-NH1 3.17Å; T92-R117 VanDerWaalsContact OG1-CZ 3.3Å; T92-R117 PolarHBondContact OG1-NH2 3.03Å; T92-C164 WeakPolarHBondContact O-CA 3.41Å
93	C	88.1	Confident	86.5	Confident	8 Å²	8	39.4 Å²	39.4	5%	0.054	23%	0.234	C	C	.	.			trans	-111.7	158.2	-178.2	-63.4	0	0	0	0	110.8	V70 T90 M97	V70-C93 HydrophobicContact CB-CB 4.4Å; V70-C93 HydrophobicContact CG1-CB 3.5Å; V70-C93 HydrophobicContact CG2-CB 3.98Å; T90-C93 PolarHBondContact O-N 3.47Å; C93-M97 HydrophobicContact CB-SD 3.94Å
94	L	91.5	Very high	86.5	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.058	24%	0.235	C	C	.	.			trans	-128.4	148.5	172.2	-69.3	172.1	0	0	0	109.4	M97 T128 F157 H161 C164 M165	L94-M97 WeakPolarHBondContact O-CB 3.12Å; L94-M97 WeakPolarHBondContact O-CG 3.31Å; L94-M97 PolarHBondContact O-N 3.31Å; L94-T128 HydrophobicContact CB-CG2 4.19Å; L94-T128 HydrophobicContact CD1-CG2 4.1Å; L94-F157 HydrophobicContact CD1-CE1 4.36Å; L94-H161 HydrophobicContact CD1-CB 3.91Å; L94-H161 HydrophobicContact CD2-CB 4.3Å; L94-C164 HydrophobicContact CD1-CB 3.93Å; L94-C164 HydrophobicContact CD2-CB 4.25Å; L94-C164 HydrophobicContact CG-CB 3.68Å; L94-M165 HydrophobicContact CD1-CE 4.13Å; L94-M165 HydrophobicContact CD1-CG 4.01Å
95	P	92.9	Very high	86.5	Confident	19 Å²	19	35 Å²	35	12%	0.123	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	148.8	162.6	-23.4	34.4	0	0	0	110.4	G68 E69 M97 N132	G68-P95 WeakPolarHBondContact O-CG 3.35Å; E69-P95 WeakPolarHBondContact O-CB 3.02Å; P95-M97 PolarHBondContact O-N 3.26Å; P95-M97 VanDerWaalsContact O-N 3.09Å; P95-N132 PolarHBondContact O-ND2 2.88Å
96	F	94.1	Very high	86.6	Confident	7 Å²	7	36.6 Å²	36.6	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	18.1	178.1	-41.3	-76.2	0	0	0	115.6	L67 T128 A131 W135 L218 I221	L67-F96 HydrophobicContact CB-CE1 4.27Å; L67-F96 HydrophobicContact CB-CZ 4.18Å; L67-F96 HydrophobicContact CD2-CE1 4.05Å; F96-T128 PolarHBondContact O-OG1 2.86Å; F96-T128 VanDerWaalsContact O-OG1 3.08Å; F96-A131 HydrophobicContact CB-CB 3.51Å; F96-A131 HydrophobicContact CD1-CB 4.26Å; F96-A131 HydrophobicContact CD2-CB 3.99Å; F96-A131 HydrophobicContact CG-CB 3.66Å; F96-W135 HydrophobicContact CE2-CB 3.66Å; F96-W135 HydrophobicContact CE2-CD2 4.46Å; F96-W135 AromaticContact CE2-CG 3.86Å; F96-W135 HydrophobicContact CE2-CG 3.86Å; F96-W135 HydrophobicContact CZ-CB 3.8Å; F96-W135 AromaticContact CZ-CD1 3.73Å; F96-W135 AromaticContact CZ-CG 3.75Å; F96-W135 HydrophobicContact CZ-CG 3.75Å; F96-L218 HydrophobicContact CD1-CB 4.33Å; F96-L218 HydrophobicContact CE1-CB 3.76Å; F96-L218 HydrophobicContact CE1-CD1 4.22Å; F96-L218 HydrophobicContact CZ-CB 4.44Å; F96-L218 HydrophobicContact CZ-CD1 4.09Å; F96-I221 HydrophobicContact CB-CG2 4.44Å
97	M	91.9	Very high	86	Confident	8 Å²	8	36.9 Å²	36.9	4%	0.039	23%	0.231	C	C	.	.			trans	-67.6	145	167.9	68	179.6	-73.7	0	0	110.1	C93 L94 P95 Y100 F115 R117 T128	C93-M97 HydrophobicContact CB-SD 3.94Å; L94-M97 WeakPolarHBondContact O-CB 3.12Å; L94-M97 WeakPolarHBondContact O-CG 3.31Å; L94-M97 PolarHBondContact O-N 3.31Å; P95-M97 PolarHBondContact O-N 3.26Å; P95-M97 VanDerWaalsContact O-N 3.09Å; M97-Y100 HydrophobicContact CE-CD1 3.81Å; M97-Y100 HydrophobicContact CE-CG 4.39Å; M97-Y100 HydrophobicContact CG-CD1 3.79Å; M97-Y100 HydrophobicContact CG-CE1 3.92Å; M97-Y100 WeakPolarHBondContact O-CE1 3.39Å; M97-Y100 HydrophobicContact SD-CD1 4.33Å; M97-F115 HydrophobicContact CE-CZ 4.38Å; M97-R117 HydrophobicContact CE-CG 3.82Å; M97-T128 HydrophobicContact CB-CG2 4.46Å
98	T	91.3	Very high	85.8	Confident	16 Å²	16	35.1 Å²	35.1	10%	0.098	20%	0.204	C	C	.	.			trans	-124	-11.2	179.8	58	0	0	0	0	112.5	Y100 L127 I221 G222 P223	T98-Y100 VanDerWaalsContact C-N 3.29Å; T98-Y100 PolarHBondContact O-N 3.46Å; T98-L127 HydrophobicContact CG2-CD2 4.18Å; T98-I221 HydrophobicContact CG2-CG2 3.79Å; T98-G222 WeakPolarHBondContact CG2-O 3.38Å; T98-P223 WeakPolarHBondContact O-CB 3.39Å
99	N	88.9	Confident	84.4	Confident	7 Å²	7	39.3 Å²	39.3	4%	0.037	22%	0.222	C	C	.	.	S	Bend	trans	-85.4	60.9	-178.8	60.8	-62.5	0	0	0	111.7	K118 A120	N99-K118 PolarHBondContact ND2-O 3.03Å; N99-K118 PolarHBondContact O-N 2.96Å; N99-A120 HydrophobicContact CB-CB 4Å
100	Y	89.5	Confident	83.3	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	168.9	172.9	65.5	-96	0	0	0	112.7	L72 Q73 M97 T98 F102 F115 L116 P223	L72-Y100 WeakPolarHBondContact CA-OH 3.41Å; L72-Y100 HydrophobicContact CB-CE2 4.18Å; L72-Y100 HydrophobicContact CD2-CD1 4.05Å; L72-Y100 HydrophobicContact CD2-CD2 4.07Å; L72-Y100 HydrophobicContact CD2-CE1 3.74Å; L72-Y100 HydrophobicContact CD2-CE2 3.83Å; L72-Y100 HydrophobicContact CD2-CG 4.2Å; Q73-Y100 PolarHBondContact N-OH 2.8Å; M97-Y100 HydrophobicContact CE-CD1 3.81Å; M97-Y100 HydrophobicContact CE-CG 4.39Å; M97-Y100 HydrophobicContact CG-CD1 3.79Å; M97-Y100 HydrophobicContact CG-CE1 3.92Å; M97-Y100 WeakPolarHBondContact O-CE1 3.39Å; M97-Y100 HydrophobicContact SD-CD1 4.33Å; T98-Y100 VanDerWaalsContact C-N 3.29Å; T98-Y100 PolarHBondContact O-N 3.46Å; Y100-F102 HydrophobicContact CD2-CB 3.69Å; Y100-F102 HydrophobicContact CE2-CB 3.66Å; Y100-F115 HydrophobicContact CD2-CD2 4.43Å; Y100-F115 HydrophobicContact CD2-CE2 4.16Å; Y100-F115 AromaticContact CG-CE2 3.91Å; Y100-F115 HydrophobicContact CG-CE2 3.91Å; Y100-L116 CarbonylContact C-O 3.57Å; Y100-L116 WeakPolarHBondContact CA-O 3.23Å; Y100-L116 WeakPolarHBondContact CB-O 3.3Å; Y100-P223 HydrophobicContact CE2-CG 4.02Å; Y100-P223 WeakPolarHBondContact OH-CD 3.38Å
101	V	88	Confident	82.7	Confident	20 Å²	20	34.1 Å²	34.1	12%	0.121	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.6	162.4	-174.7	0	0	0	0	107.5	A75 Y114 F115 L116 K118 Y225	A75-V101 HydrophobicContact CB-CG1 4.38Å; V101-Y114 HydrophobicContact CB-CE1 4.09Å; V101-Y114 HydrophobicContact CG1-CE1 3.78Å; V101-F115 WeakPolarHBondContact O-CA 3.37Å; V101-L116 PolarHBondContact N-O 3.21Å; V101-L116 PolarHBondContact O-N 3.48Å; V101-K118 HydrophobicContact CG2-CD 4.04Å; V101-Y225 HydrophobicContact CG1-CE1 4.5Å
102	F	90.9	Very high	82.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.2	-178.5	173.1	-103.6	0	0	0	109.9	L72 C74 A75 F81 F86 I88 Y100 C104 T113 Y114 F115	L72-F102 HydrophobicContact CB-CB 4.11Å; L72-F102 HydrophobicContact CB-CD1 3.71Å; L72-F102 HydrophobicContact CB-CD2 3.96Å; L72-F102 HydrophobicContact CB-CE1 4.15Å; L72-F102 HydrophobicContact CB-CE2 4.3Å; L72-F102 HydrophobicContact CB-CG 3.65Å; L72-F102 HydrophobicContact CB-CZ 4.44Å; L72-F102 HydrophobicContact CD1-CD2 3.61Å; L72-F102 HydrophobicContact CD1-CE2 3.89Å; L72-F102 HydrophobicContact CD1-CG 4.13Å; L72-F102 HydrophobicContact CG-CD2 4.42Å; L72-F102 HydrophobicContact CG-CG 4.49Å; C74-F102 CarbonylContact C-O 3.53Å; C74-F102 VanDerWaalsContact CA-O 3.31Å; C74-F102 WeakPolarHBondContact CA-O 3.46Å; C74-F102 HydrophobicContact CB-CD1 4.09Å; C74-F102 HydrophobicContact CB-CE1 4.17Å; A75-F102 PolarHBondContact N-O 2.97Å; F81-F102 HydrophobicContact CB-CE1 4.46Å; F81-F102 AromaticContact CD2-CE1 3.68Å; F81-F102 HydrophobicContact CD2-CE1 3.68Å; F81-F102 HydrophobicContact CD2-CZ 4.39Å; F81-F102 HydrophobicContact CE2-CE1 4.28Å; F81-F102 HydrophobicContact CG-CE1 4.32Å; F86-F102 HydrophobicContact CD2-CE2 4.02Å; F86-F102 AromaticContact CD2-CZ 3.57Å; F86-F102 HydrophobicContact CD2-CZ 3.57Å; F86-F102 HydrophobicContact CE2-CE1 4.23Å; F86-F102 HydrophobicContact CE2-CE2 4.33Å; F86-F102 AromaticContact CE2-CZ 3.43Å; F86-F102 HydrophobicContact CE2-CZ 3.43Å; F86-F102 VanDerWaalsContact CE2-CZ 3.43Å; F86-F102 HydrophobicContact CG-CZ 4.43Å; F86-F102 HydrophobicContact CZ-CZ 4.22Å; I88-F102 HydrophobicContact CD1-CD2 4.13Å; I88-F102 HydrophobicContact CD1-CE2 3.74Å; Y100-F102 HydrophobicContact CD2-CB 3.69Å; Y100-F102 HydrophobicContact CE2-CB 3.66Å; F102-C104 HydrophobicContact CE1-CB 4.18Å; F102-C104 HydrophobicContact CZ-CB 4.27Å; F102-T113 HydrophobicContact CD2-CG2 4.13Å; F102-T113 HydrophobicContact CE2-CG2 3.23Å; F102-T113 HydrophobicContact CZ-CG2 3.84Å; F102-Y114 CarbonylContact C-O 3.41Å; F102-Y114 VanDerWaalsContact CA-O 3.24Å; F102-Y114 WeakPolarHBondContact CA-O 3.29Å; F102-Y114 WeakPolarHBondContact CD2-O 3.28Å; F102-F115 HydrophobicContact CB-CD2 4.39Å; F102-F115 HydrophobicContact CD2-CB 4.17Å; F102-F115 HydrophobicContact CD2-CD2 4.25Å
103	H	88.8	Confident	82.1	Confident	39 Å²	39	35.6 Å²	35.6	18%	0.181	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.9	168.4	-51.5	151.2	0	0	0	108.4	L76 H108 Y114	L76-H103 HydrophobicContact CD1-CB 4.43Å; H103-H108 HydrophobicContact CB-CB 4.04Å; H103-H108 AromaticContact ND1-CD2 3.55Å; H103-Y114 HydrophobicContact CB-CD1 4.23Å; H103-Y114 AromaticContact CE1-CD1 3.83Å; H103-Y114 AromaticContact CG-CD1 3.73Å; H103-Y114 PolarHBondContact N-O 2.91Å; H103-Y114 AromaticContact ND1-CD1 3.36Å; H103-Y114 WeakPolarHBondContact ND1-CD1 3.35Å; H103-Y114 AromaticContact ND1-CE1 4Å; H103-Y114 PolarHBondContact O-N 3.37Å
104	C	87	Confident	81.7	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.014	22%	0.215	C	C	.	.			trans	-67.1	157.8	173.9	66.2	0	0	0	0	110.5	F81 F86 F102 V106 C107 H108	F81-C104 HydrophobicContact CD2-CB 4.38Å; F81-C104 HydrophobicContact CE1-CB 4.3Å; F81-C104 HydrophobicContact CE2-CB 3.77Å; F81-C104 HydrophobicContact CZ-CB 3.73Å; F86-C104 HydrophobicContact CE1-CB 4.49Å; F86-C104 HydrophobicContact CZ-CB 3.91Å; F102-C104 HydrophobicContact CE1-CB 4.18Å; F102-C104 HydrophobicContact CZ-CB 4.27Å; C104-V106 PolarHBondContact O-N 3.44Å; C104-V106 VanDerWaalsContact O-N 3.14Å; C104-C107 PolarHBondContact O-N 3.47Å; C104-C107 PolarHBondContact SG-N 2.8Å; C104-C107 VanDerWaalsContact SG-N 3.44Å; C104-H108 WeakPolarHBondContact O-CB 3.26Å; C104-H108 PolarHBondContact O-N 3.24Å
105	N	83.9	Confident	81.5	Confident	52 Å²	52	38.6 Å²	38.6	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.1	176.6	62.4	-18	0	0	0	113.8	F86 G111	F86-N105 HydrophobicContact CE1-CB 4.33Å; F86-N105 WeakPolarHBondContact CE1-OD1 3.4Å; N105-G111 WeakPolarHBondContact CB-O 3.46Å; N105-G111 CarbonylContact O-C 3.56Å; N105-G111 WeakPolarHBondContact O-CA 3.26Å
106	V	84.8	Confident	81.1	Confident	122 Å²	122	40.9 Å²	40.9	74%	0.739	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-41.8	176.9	-178.7	0	0	0	0	112.2	C104	C104-V106 PolarHBondContact O-N 3.44Å; C104-V106 VanDerWaalsContact O-N 3.14Å
107	C	69.4	Low	80.7	Confident	42 Å²	42	43.5 Å²	43.5	28%	0.284	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-21.1	-175.7	-65.4	0	0	0	0	113.2	L76 C77 C104	L76-C107 HydrophobicContact CB-CB 3.79Å; L76-C107 HydrophobicContact CD1-CB 3.72Å; L76-C107 VanDerWaalsContact CD1-O 3.31Å; L76-C107 WeakPolarHBondContact CD1-O 3.37Å; L76-C107 HydrophobicContact CG-CB 4.36Å; C77-C107 VanDerWaalsContact CB-SG 3.53Å; C77-C107 VanDerWaalsContact SG-SG 3.66Å; C104-C107 PolarHBondContact O-N 3.47Å; C104-C107 PolarHBondContact SG-N 2.8Å; C104-C107 VanDerWaalsContact SG-N 3.44Å
108	H	74.3	Confident	80.3	Confident	33 Å²	33	48.3 Å²	48.3	15%	0.153	26%	0.262	C	S	.	.	S	Bend	trans	-76.8	129.5	177.4	-163.4	-100.4	0	0	0	110.6	H103 C104 S110 G111 N112 Y114	H103-H108 HydrophobicContact CB-CB 4.04Å; H103-H108 AromaticContact ND1-CD2 3.55Å; C104-H108 WeakPolarHBondContact O-CB 3.26Å; C104-H108 PolarHBondContact O-N 3.24Å; H108-S110 PolarHBondContact CE1-OG 2.91Å; H108-S110 PolarHBondContact ND1-OG 2.8Å; H108-S110 PolarHBondContact O-N 3.48Å; H108-G111 PolarHBondContact O-N 3.25Å; H108-N112 WeakPolarHBondContact CB-O 3.45Å; H108-N112 VanDerWaalsContact CG-O 3.27Å; H108-N112 PolarHBondContact ND1-O 3.37Å; H108-Y114 WeakPolarHBondContact CD2-CB 3.19Å; H108-Y114 WeakPolarHBondContact NE2-CB 3.35Å; H108-Y114 AromaticContact NE2-CG 3.92Å
109	H	53	Low	79.8	Confident	113 Å²	113	53.7 Å²	53.7	52%	0.523	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.4	-174	65.3	55.6	0	0	0	115.3	R346	H109-R346 PolarHBondContact CE1-NH1 2.95Å; H109-R346 PolarHBondContact ND1-NH1 2.92Å
110	S	56.3	Low	79.6	Confident	45 Å²	45	53.7 Å²	53.7	32%	0.315	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-0.4	179.5	77.2	0	0	0	0	113.4	H108 N112	H108-S110 PolarHBondContact CE1-OG 2.91Å; H108-S110 PolarHBondContact ND1-OG 2.8Å; H108-S110 PolarHBondContact O-N 3.48Å; S110-N112 PolarHBondContact O-N 3.02Å; S110-N112 WeakPolarHBondContact OG-CB 3.49Å; S110-N112 PolarHBondContact OG-N 2.71Å
111	G	69.4	Low	79.7	Confident	48 Å²	48	57.4 Å²	57.4	50%	0.495	31%	0.307	S	S	.	.	S	Bend	trans	70.8	0.9	-171.3	0	0	0	0	0	114.5	N105 H108	N105-G111 WeakPolarHBondContact CB-O 3.46Å; N105-G111 CarbonylContact O-C 3.56Å; N105-G111 WeakPolarHBondContact O-CA 3.26Å; H108-G111 PolarHBondContact O-N 3.25Å
112	N	72.3	Confident	79.8	Confident	108 Å²	108	58 Å²	58	58%	0.578	31%	0.309	S	S	*	.	S	Bend	trans	-103.3	152.7	179.4	-64.5	-29	0	0	0	111	H108 S110	H108-N112 WeakPolarHBondContact CB-O 3.45Å; H108-N112 VanDerWaalsContact CG-O 3.27Å; H108-N112 PolarHBondContact ND1-O 3.37Å; S110-N112 PolarHBondContact O-N 3.02Å; S110-N112 WeakPolarHBondContact OG-CB 3.49Å; S110-N112 PolarHBondContact OG-N 2.71Å
113	T	78	Confident	79.9	Confident	44 Å²	44	60.7 Å²	60.7	27%	0.27	32%	0.321	S	S	.	.			trans	-71.2	132.6	171.7	-55.1	0	0	0	0	111	F86 I88 F102	F86-T113 HydrophobicContact CB-CG2 3.64Å; F86-T113 WeakPolarHBondContact CB-OG1 3.46Å; F86-T113 HydrophobicContact CD1-CG2 4.11Å; F86-T113 WeakPolarHBondContact CD1-OG1 3.35Å; F86-T113 HydrophobicContact CD2-CG2 4.17Å; F86-T113 HydrophobicContact CG-CG2 3.71Å; F86-T113 WeakPolarHBondContact CG-OG1 3.13Å; I88-T113 HydrophobicContact CD1-CG2 3.99Å; F102-T113 HydrophobicContact CD2-CG2 4.13Å; F102-T113 HydrophobicContact CE2-CG2 3.23Å; F102-T113 HydrophobicContact CZ-CG2 3.84Å
114	Y	79.4	Confident	80.2	Confident	42 Å²	42	61.2 Å²	61.2	17%	0.165	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.7	175	166.1	-102	0	0	0	109.8	V101 F102 H103 H108 L116 P293	V101-Y114 HydrophobicContact CB-CE1 4.09Å; V101-Y114 HydrophobicContact CG1-CE1 3.78Å; F102-Y114 CarbonylContact C-O 3.41Å; F102-Y114 VanDerWaalsContact CA-O 3.24Å; F102-Y114 WeakPolarHBondContact CA-O 3.29Å; F102-Y114 WeakPolarHBondContact CD2-O 3.28Å; H103-Y114 HydrophobicContact CB-CD1 4.23Å; H103-Y114 AromaticContact CE1-CD1 3.83Å; H103-Y114 AromaticContact CG-CD1 3.73Å; H103-Y114 PolarHBondContact N-O 2.91Å; H103-Y114 AromaticContact ND1-CD1 3.36Å; H103-Y114 WeakPolarHBondContact ND1-CD1 3.35Å; H103-Y114 AromaticContact ND1-CE1 4Å; H103-Y114 PolarHBondContact O-N 3.37Å; H108-Y114 WeakPolarHBondContact CD2-CB 3.19Å; H108-Y114 WeakPolarHBondContact NE2-CB 3.35Å; H108-Y114 AromaticContact NE2-CG 3.92Å; Y114-L116 HydrophobicContact CE1-CB 4.45Å; Y114-L116 HydrophobicContact CE2-CB 4.14Å; Y114-L116 VanDerWaalsContact OH-CB 3.29Å; Y114-L116 WeakPolarHBondContact OH-CB 3.35Å; Y114-L116 WeakPolarHBondContact OH-CD2 3.37Å; Y114-P293 HydrophobicContact CD2-CB 4.49Å; Y114-P293 HydrophobicContact CE2-CB 3.44Å; Y114-P293 VanDerWaalsContact CE2-CB 3.44Å; Y114-P293 HydrophobicContact CE2-CG 3.6Å; Y114-P293 VanDerWaalsContact OH-CB 3.32Å; Y114-P293 WeakPolarHBondContact OH-CB 3.31Å; Y114-P293 WeakPolarHBondContact OH-CG 3.24Å
115	F	87.8	Confident	80.5	Confident	41 Å²	41	61.7 Å²	61.7	18%	0.18	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	123.1	177.7	175.3	-115.4	0	0	0	110	L72 I88 M97 Y100 V101 F102 R117	L72-F115 HydrophobicContact CD1-CD2 3.61Å; L72-F115 HydrophobicContact CD1-CE2 3.77Å; L72-F115 HydrophobicContact CD1-CG 4.23Å; L72-F115 HydrophobicContact CD2-CD2 4.08Å; L72-F115 HydrophobicContact CD2-CE2 3.49Å; L72-F115 VanDerWaalsContact CD2-CE2 3.49Å; L72-F115 HydrophobicContact CD2-CZ 4.25Å; L72-F115 HydrophobicContact CG-CD2 4.48Å; L72-F115 HydrophobicContact CG-CE2 4.3Å; I88-F115 HydrophobicContact CD1-CB 3.75Å; I88-F115 HydrophobicContact CD1-CD1 4.45Å; I88-F115 HydrophobicContact CD1-CG 4.02Å; I88-F115 HydrophobicContact CG1-CB 4.38Å; I88-F115 HydrophobicContact CG2-CD1 3.56Å; I88-F115 HydrophobicContact CG2-CE1 3.8Å; I88-F115 HydrophobicContact CG2-CG 4.19Å; M97-F115 HydrophobicContact CE-CZ 4.38Å; Y100-F115 HydrophobicContact CD2-CD2 4.43Å; Y100-F115 HydrophobicContact CD2-CE2 4.16Å; Y100-F115 AromaticContact CG-CE2 3.91Å; Y100-F115 HydrophobicContact CG-CE2 3.91Å; V101-F115 WeakPolarHBondContact O-CA 3.37Å; F102-F115 HydrophobicContact CB-CD2 4.39Å; F102-F115 HydrophobicContact CD2-CB 4.17Å; F102-F115 HydrophobicContact CD2-CD2 4.25Å; F115-R117 HydrophobicContact CE1-CG 3.85Å; F115-R117 HydrophobicContact CE2-CG 4.45Å; F115-R117 HydrophobicContact CZ-CG 3.59Å
116	L	83.9	Confident	81	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.346	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.9	176	179.4	71.2	0	0	0	110.5	Y100 V101 Y114 P293	Y100-L116 CarbonylContact C-O 3.57Å; Y100-L116 WeakPolarHBondContact CA-O 3.23Å; Y100-L116 WeakPolarHBondContact CB-O 3.3Å; V101-L116 PolarHBondContact N-O 3.21Å; V101-L116 PolarHBondContact O-N 3.48Å; Y114-L116 HydrophobicContact CE1-CB 4.45Å; Y114-L116 HydrophobicContact CE2-CB 4.14Å; Y114-L116 VanDerWaalsContact OH-CB 3.29Å; Y114-L116 WeakPolarHBondContact OH-CB 3.35Å; Y114-L116 WeakPolarHBondContact OH-CD2 3.37Å; L116-P293 HydrophobicContact CD2-CG 3.67Å
117	R	85.7	Confident	81.5	Confident	62 Å²	62	54.7 Å²	54.7	23%	0.234	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.9	167.2	-64.5	-166.7	-66.9	148.7	1.5	110.2	T92 M97 F115 E163 C164	T92-R117 PolarHBondContact O-NH1 3.17Å; T92-R117 VanDerWaalsContact OG1-CZ 3.3Å; T92-R117 PolarHBondContact OG1-NH2 3.03Å; M97-R117 HydrophobicContact CE-CG 3.82Å; F115-R117 HydrophobicContact CE1-CG 3.85Å; F115-R117 HydrophobicContact CE2-CG 4.45Å; F115-R117 HydrophobicContact CZ-CG 3.59Å; R117-E163 PolarHBondContact NH1-O 3.31Å; R117-C164 PolarHBondContact NH1-O 3.25Å
118	K	83.1	Confident	82.7	Confident	110 Å²	110	52.7 Å²	52.7	48%	0.478	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-93.7	157.9	170.5	-72.6	175.4	165.3	168.2	0	109.4	N99 V101 A120	N99-K118 PolarHBondContact ND2-O 3.03Å; N99-K118 PolarHBondContact O-N 2.96Å; V101-K118 HydrophobicContact CG2-CD 4.04Å; K118-A120 PolarHBondContact O-N 2.88Å
119	Q	81.1	Confident	83.8	Confident	128 Å²	128	51.1 Å²	51.1	60%	0.598	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-65.7	118.8	172.4	-178	178.6	0.9	0	0	109.5
120	A	85.6	Confident	85.9	Confident	8 Å²	8	45.8 Å²	45.8	7%	0.066	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-70.2	136.9	173.6	0	0	0	0	0	111	N99 K118 E124 M125 M165	N99-A120 HydrophobicContact CB-CB 4Å; K118-A120 PolarHBondContact O-N 2.88Å; A120-E124 VanDerWaalsContact CA-OE2 3.26Å; A120-E124 WeakPolarHBondContact CA-OE2 3.44Å; A120-E124 HydrophobicContact CB-CB 4.16Å; A120-M125 HydrophobicContact CB-CG 3.8Å; A120-M165 WeakPolarHBondContact CB-O 3.2Å
121	N	90.3	Very high	87.8	Confident	80 Å²	80	43.6 Å²	43.6	43%	0.428	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-83.2	170.2	163.4	69	53	0	0	0	110.6	K123 E124 M125	N121-K123 VanDerWaalsContact C-N 3.27Å; N121-K123 PolarHBondContact O-N 3.1Å; N121-K123 WeakPolarHBondContact OD1-CA 3.43Å; N121-K123 VanDerWaalsContact OD1-CB 3.27Å; N121-K123 WeakPolarHBondContact OD1-CB 3.46Å; N121-K123 PolarHBondContact OD1-N 3Å; N121-E124 VanDerWaalsContact CG-OE2 3.31Å; N121-E124 PolarHBondContact N-OE2 2.63Å; N121-E124 PolarHBondContact ND2-OE2 2.86Å; N121-E124 VanDerWaalsContact ND2-OE2 3.15Å; N121-E124 PolarHBondContact O-N 2.89Å; N121-E124 PolarHBondContact OD1-N 2.86Å; N121-M125 WeakPolarHBondContact O-CG 3.2Å; N121-M125 PolarHBondContact O-N 3.4Å
122	L	91.4	Very high	89.1	Confident	33 Å²	33	41.5 Å²	41.5	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-29.7	-175.7	-172.9	59.9	0	0	0	113.2	C126 W176 N179 T183	L122-C126 PolarHBondContact O-N 2.86Å; L122-C126 PolarHBondContact O-SG 2.69Å; L122-W176 HydrophobicContact CD1-CE3 4.18Å; L122-N179 HydrophobicContact CD2-CB 3.58Å; L122-T183 HydrophobicContact CG-CG2 4.47Å
123	K	93.3	Very high	90.2	Very high	57 Å²	57	37.4 Å²	37.4	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-48.9	174.7	169.3	-173.2	-176.7	167.9	0	110	N121 M125 C126 L127 T183 E187 F191	N121-K123 VanDerWaalsContact C-N 3.27Å; N121-K123 PolarHBondContact O-N 3.1Å; N121-K123 WeakPolarHBondContact OD1-CA 3.43Å; N121-K123 VanDerWaalsContact OD1-CB 3.27Å; N121-K123 WeakPolarHBondContact OD1-CB 3.46Å; N121-K123 PolarHBondContact OD1-N 3Å; K123-M125 PolarHBondContact O-N 2.84Å; K123-C126 PolarHBondContact O-N 2.88Å; K123-L127 WeakPolarHBondContact O-CB 2.98Å; K123-L127 PolarHBondContact O-N 2.95Å; K123-T183 HydrophobicContact CB-CG2 4.11Å; K123-E187 HydrophobicContact CD-CG 3.94Å; K123-E187 WeakPolarHBondContact CD-OE2 3.3Å; K123-E187 WeakPolarHBondContact CE-OE2 3.49Å; K123-E187 HydrophobicContact CG-CG 4.33Å; K123-E187 IonicContact NZ-OE2 2.64Å; K123-E187 PolarHBondContact NZ-OE2 3.05Å; K123-F191 HydrophobicContact CG-CE2 4.03Å; K123-F191 HydrophobicContact CG-CZ 4.2Å
124	E	93.3	Very high	91.1	Very high	49 Å²	49	35.3 Å²	35.3	23%	0.229	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-41.8	179	-67.9	163.4	159.1	0	0	111.5	A120 N121 C126 L127 T128	A120-E124 VanDerWaalsContact CA-OE2 3.26Å; A120-E124 WeakPolarHBondContact CA-OE2 3.44Å; A120-E124 HydrophobicContact CB-CB 4.16Å; N121-E124 VanDerWaalsContact CG-OE2 3.31Å; N121-E124 PolarHBondContact N-OE2 2.63Å; N121-E124 PolarHBondContact ND2-OE2 2.86Å; N121-E124 VanDerWaalsContact ND2-OE2 3.15Å; N121-E124 PolarHBondContact O-N 2.89Å; N121-E124 PolarHBondContact OD1-N 2.86Å; E124-C126 PolarHBondContact O-N 3.17Å; E124-L127 PolarHBondContact O-N 2.76Å; E124-T128 PolarHBondContact O-N 3.05Å; E124-T128 PolarHBondContact O-OG1 2.99Å
125	M	93.4	Very high	91.8	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.059	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-45.9	174.4	-66.5	178.4	77.7	0	0	112	A120 N121 K123 A129 I158 W162 M165	A120-M125 HydrophobicContact CB-CG 3.8Å; N121-M125 WeakPolarHBondContact O-CG 3.2Å; N121-M125 PolarHBondContact O-N 3.4Å; K123-M125 PolarHBondContact O-N 2.84Å; M125-A129 VanDerWaalsContact O-CB 3.31Å; M125-A129 WeakPolarHBondContact O-CB 3.49Å; M125-A129 PolarHBondContact O-N 3.3Å; M125-I158 HydrophobicContact CB-CD1 4.4Å; M125-I158 HydrophobicContact CE-CG2 3.48Å; M125-I158 VanDerWaalsContact CE-CG2 3.48Å; M125-W162 HydrophobicContact CE-CE3 4.18Å; M125-W162 HydrophobicContact CE-CZ3 3.95Å; M125-M165 HydrophobicContact CB-SD 4.12Å; M125-M165 HydrophobicContact CE-CB 3.86Å; M125-M165 HydrophobicContact CE-SD 4.21Å; M125-M165 HydrophobicContact CG-CB 4.27Å; M125-M165 HydrophobicContact CG-CG 4.49Å; M125-M165 HydrophobicContact CG-SD 4.38Å
126	C	95.4	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-38.7	176.9	-70.5	0	0	0	0	112.5	L122 K123 E124 A129 L130 M184 F191	L122-C126 PolarHBondContact O-N 2.86Å; L122-C126 PolarHBondContact O-SG 2.69Å; K123-C126 PolarHBondContact O-N 2.88Å; E124-C126 PolarHBondContact O-N 3.17Å; C126-A129 PolarHBondContact O-N 2.89Å; C126-L130 WeakPolarHBondContact O-CB 3.38Å; C126-L130 WeakPolarHBondContact O-CG 3.42Å; C126-L130 PolarHBondContact O-N 3.05Å; C126-M184 HydrophobicContact CB-CE 4.13Å; C126-M184 HydrophobicContact CB-CG 4.14Å; C126-M184 HydrophobicContact CB-SD 3.89Å; C126-F191 HydrophobicContact CB-CE1 4.24Å; C126-F191 HydrophobicContact CB-CZ 3.96Å
127	L	95.6	Very high	92.6	Very high	27 Å²	27	34.9 Å²	34.9	14%	0.141	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-52.8	176.2	174.9	62.2	0	0	0	111	T98 K123 E124 A129 L130 A131 V190 F191 L213 I221	T98-L127 HydrophobicContact CG2-CD2 4.18Å; K123-L127 WeakPolarHBondContact O-CB 2.98Å; K123-L127 PolarHBondContact O-N 2.95Å; E124-L127 PolarHBondContact O-N 2.76Å; L127-A129 VanDerWaalsContact C-N 3.31Å; L127-A129 PolarHBondContact O-N 3.45Å; L127-L130 PolarHBondContact O-N 3.21Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å; L127-A131 PolarHBondContact O-N 2.82Å; L127-V190 HydrophobicContact CD1-CG1 3.97Å; L127-F191 HydrophobicContact CB-CE1 4.29Å; L127-F191 HydrophobicContact CB-CZ 4.28Å; L127-L213 HydrophobicContact CD1-CD2 3.53Å; L127-I221 HydrophobicContact CD1-CD1 4.45Å; L127-I221 HydrophobicContact CD2-CG2 4.46Å
128	T	95.1	Very high	92.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-40.8	178.1	-61.1	0	0	0	0	111.3	L94 F96 M97 E124 N132	L94-T128 HydrophobicContact CB-CG2 4.19Å; L94-T128 HydrophobicContact CD1-CG2 4.1Å; F96-T128 PolarHBondContact O-OG1 2.86Å; F96-T128 VanDerWaalsContact O-OG1 3.08Å; M97-T128 HydrophobicContact CB-CG2 4.46Å; E124-T128 PolarHBondContact O-N 3.05Å; E124-T128 PolarHBondContact O-OG1 2.99Å; T128-N132 WeakPolarHBondContact O-CB 3.34Å; T128-N132 PolarHBondContact O-N 2.91Å; T128-N132 VanDerWaalsContact O-N 3.09Å; T128-N132 PolarHBondContact O-ND2 3.37Å
129	A	96.3	Very high	93.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-51.3	176.6	0	0	0	0	0	112.3	M125 C126 L127 A131 N132 L133 F157 I158	M125-A129 VanDerWaalsContact O-CB 3.31Å; M125-A129 WeakPolarHBondContact O-CB 3.49Å; M125-A129 PolarHBondContact O-N 3.3Å; C126-A129 PolarHBondContact O-N 2.89Å; L127-A129 VanDerWaalsContact C-N 3.31Å; L127-A129 PolarHBondContact O-N 3.45Å; A129-A131 PolarHBondContact O-N 3.06Å; A129-N132 PolarHBondContact O-N 2.82Å; A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.29Å; A129-F157 HydrophobicContact CB-CD1 3.53Å; A129-F157 HydrophobicContact CB-CE1 4.01Å; A129-F157 HydrophobicContact CB-CG 4.27Å; A129-I158 HydrophobicContact CB-CD1 4.25Å; A129-I158 HydrophobicContact CB-CG1 3.89Å
130	L	97.2	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-38.6	179.4	-76.9	-179.8	0	0	0	112.8	C126 L127 L133 T134 F148 I154 M184 F191 F211 L213	C126-L130 WeakPolarHBondContact O-CB 3.38Å; C126-L130 WeakPolarHBondContact O-CG 3.42Å; C126-L130 PolarHBondContact O-N 3.05Å; L127-L130 PolarHBondContact O-N 3.21Å; L130-L133 PolarHBondContact O-N 3.14Å; L130-T134 VanDerWaalsContact O-CB 3.24Å; L130-T134 WeakPolarHBondContact O-CB 3.49Å; L130-T134 PolarHBondContact O-N 3.23Å; L130-T134 PolarHBondContact O-OG1 3.43Å; L130-F148 HydrophobicContact CD2-CB 4.08Å; L130-F148 HydrophobicContact CD2-CD2 3.77Å; L130-F148 HydrophobicContact CD2-CG 4.31Å; L130-I154 HydrophobicContact CD2-CD1 3.88Å; L130-I154 HydrophobicContact CD2-CG1 4.15Å; L130-M184 HydrophobicContact CD1-CE 3.29Å; L130-M184 HydrophobicContact CG-CE 4.12Å; L130-F191 HydrophobicContact CD1-CD1 3.65Å; L130-F191 HydrophobicContact CD1-CE1 3.96Å; L130-F211 HydrophobicContact CD1-CB 4.35Å; L130-F211 HydrophobicContact CD2-CB 4.45Å; L130-F211 WeakPolarHBondContact CD2-O 3.27Å; L130-L213 HydrophobicContact CB-CD1 4.44Å; L130-L213 HydrophobicContact CB-CD2 3.79Å; L130-L213 HydrophobicContact CB-CG 3.89Å; L130-L213 HydrophobicContact CD1-CD2 3.96Å; L130-L213 HydrophobicContact CD1-CG 4.39Å
131	A	96.3	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-45.5	177.4	0	0	0	0	0	111.4	F96 L127 A129 T134 W135 L213 L218 I221	F96-A131 HydrophobicContact CB-CB 3.51Å; F96-A131 HydrophobicContact CD1-CB 4.26Å; F96-A131 HydrophobicContact CD2-CB 3.99Å; F96-A131 HydrophobicContact CG-CB 3.66Å; L127-A131 WeakPolarHBondContact O-CB 3.48Å; L127-A131 PolarHBondContact O-N 2.82Å; A129-A131 PolarHBondContact O-N 3.06Å; A131-T134 PolarHBondContact O-N 3.21Å; A131-W135 WeakPolarHBondContact O-CB 3.43Å; A131-W135 PolarHBondContact O-N 2.91Å; A131-L213 HydrophobicContact CB-CD1 4.06Å; A131-L218 HydrophobicContact CB-CD2 4.32Å; A131-I221 HydrophobicContact CB-CD1 3.64Å
132	N	96.1	Very high	93.6	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-65.5	-43.7	176.2	-82.8	-89.7	0	0	0	112.5	P95 T128 A129 W135 R136 F157	P95-N132 PolarHBondContact O-ND2 2.88Å; T128-N132 WeakPolarHBondContact O-CB 3.34Å; T128-N132 PolarHBondContact O-N 2.91Å; T128-N132 VanDerWaalsContact O-N 3.09Å; T128-N132 PolarHBondContact O-ND2 3.37Å; A129-N132 PolarHBondContact O-N 2.82Å; N132-W135 PolarHBondContact O-N 3.3Å; N132-R136 WeakPolarHBondContact O-CB 3.28Å; N132-R136 VanDerWaalsContact O-CG 3.31Å; N132-R136 WeakPolarHBondContact O-CG 3.2Å; N132-R136 PolarHBondContact O-N 3.04Å; N132-F157 HydrophobicContact CB-CE1 4.32Å; N132-F157 HydrophobicContact CB-CE2 3.61Å; N132-F157 HydrophobicContact CB-CZ 3.38Å
133	L	96.3	Very high	93.3	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.12	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-42.8	177.4	-73.2	169.6	0	0	0	111.5	A129 L130 R136 S137 F148 D153 I154 F157	A129-L133 WeakPolarHBondContact O-CB 3.41Å; A129-L133 VanDerWaalsContact O-CG 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.46Å; A129-L133 PolarHBondContact O-N 3.29Å; L130-L133 PolarHBondContact O-N 3.14Å; L133-R136 PolarHBondContact O-N 3.38Å; L133-S137 WeakPolarHBondContact O-CB 3.47Å; L133-S137 PolarHBondContact O-N 3.18Å; L133-F148 HydrophobicContact CB-CD1 3.85Å; L133-F148 HydrophobicContact CB-CD2 4.11Å; L133-F148 HydrophobicContact CB-CE1 3.72Å; L133-F148 HydrophobicContact CB-CE2 3.99Å; L133-F148 HydrophobicContact CB-CG 4.05Å; L133-F148 HydrophobicContact CB-CZ 3.8Å; L133-F148 HydrophobicContact CD1-CB 4.24Å; L133-F148 HydrophobicContact CD1-CD1 4.21Å; L133-F148 HydrophobicContact CD1-CG 4.11Å; L133-F148 HydrophobicContact CG-CD1 4.44Å; L133-F148 WeakPolarHBondContact O-CZ 3.44Å; L133-D153 HydrophobicContact CD1-CB 4.05Å; L133-I154 HydrophobicContact CD1-CG1 4.33Å; L133-F157 HydrophobicContact CD1-CB 4.43Å; L133-F157 HydrophobicContact CD2-CD2 3.99Å; L133-F157 HydrophobicContact CG-CD2 4.07Å; L133-F157 HydrophobicContact CG-CG 4.44Å
134	T	95.8	Very high	93.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-46.9	176.3	-55.8	0	0	0	0	110.9	L130 A131 S137 R138 F148 L218	L130-T134 VanDerWaalsContact O-CB 3.24Å; L130-T134 WeakPolarHBondContact O-CB 3.49Å; L130-T134 PolarHBondContact O-N 3.23Å; L130-T134 PolarHBondContact O-OG1 3.43Å; A131-T134 PolarHBondContact O-N 3.21Å; T134-S137 PolarHBondContact O-N 2.89Å; T134-R138 WeakPolarHBondContact O-CG 3.37Å; T134-R138 PolarHBondContact O-N 3.2Å; T134-F148 WeakPolarHBondContact OG1-CE2 3.43Å; T134-L218 HydrophobicContact CG2-CD1 4.47Å; T134-L218 HydrophobicContact CG2-CD2 4.42Å
135	W	94.9	Very high	92.9	Very high	60 Å²	60	52.7 Å²	52.7	23%	0.227	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-46	177.7	-178.4	85.1	0	0	0	112	L67 F96 A131 N132 S137 R138 T139 L218	L67-W135 VanDerWaalsContact C-NE1 3.33Å; L67-W135 WeakPolarHBondContact O-CZ2 3.35Å; L67-W135 PolarHBondContact O-NE1 2.95Å; F96-W135 HydrophobicContact CE2-CB 3.66Å; F96-W135 HydrophobicContact CE2-CD2 4.46Å; F96-W135 AromaticContact CE2-CG 3.86Å; F96-W135 HydrophobicContact CE2-CG 3.86Å; F96-W135 HydrophobicContact CZ-CB 3.8Å; F96-W135 AromaticContact CZ-CD1 3.73Å; F96-W135 AromaticContact CZ-CG 3.75Å; F96-W135 HydrophobicContact CZ-CG 3.75Å; A131-W135 WeakPolarHBondContact O-CB 3.43Å; A131-W135 PolarHBondContact O-N 2.91Å; N132-W135 PolarHBondContact O-N 3.3Å; W135-S137 PolarHBondContact O-N 3.41Å; W135-R138 PolarHBondContact O-N 3.4Å; W135-T139 HydrophobicContact CD2-CG2 4.34Å; W135-T139 HydrophobicContact CZ2-CG2 4.09Å; W135-T139 WeakPolarHBondContact O-CG2 3.11Å; W135-T139 PolarHBondContact O-N 2.91Å; W135-T139 VanDerWaalsContact O-N 3.12Å; W135-T139 PolarHBondContact O-OG1 2.7Å; W135-L218 HydrophobicContact CB-CD1 3.69Å; W135-L218 HydrophobicContact CG-CD1 4.41Å
136	R	94.2	Very high	92.8	Very high	77 Å²	77	55.3 Å²	55.3	29%	0.291	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-44.9	176.8	-74.7	180	-173	166.5	5.7	111.6	N132 L133 R138 T139 Q140	N132-R136 WeakPolarHBondContact O-CB 3.28Å; N132-R136 VanDerWaalsContact O-CG 3.31Å; N132-R136 WeakPolarHBondContact O-CG 3.2Å; N132-R136 PolarHBondContact O-N 3.04Å; L133-R136 PolarHBondContact O-N 3.38Å; R136-R138 VanDerWaalsContact C-N 3.33Å; R136-R138 PolarHBondContact O-N 2.82Å; R136-T139 PolarHBondContact O-N 3.26Å; R136-T139 PolarHBondContact O-OG1 3.44Å; R136-Q140 VanDerWaalsContact O-CB 3.3Å; R136-Q140 WeakPolarHBondContact O-CB 3.2Å; R136-Q140 PolarHBondContact O-N 3.33Å
137	S	93.9	Very high	92.7	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-35.8	180	-165.6	0	0	0	0	112.3	L133 T134 W135 T139 D141 K145	L133-S137 WeakPolarHBondContact O-CB 3.47Å; L133-S137 PolarHBondContact O-N 3.18Å; T134-S137 PolarHBondContact O-N 2.89Å; W135-S137 PolarHBondContact O-N 3.41Å; S137-T139 VanDerWaalsContact C-N 3.32Å; S137-T139 PolarHBondContact O-N 2.64Å; S137-D141 WeakPolarHBondContact CA-OD2 3.45Å; S137-D141 WeakPolarHBondContact CB-OD2 3.42Å; S137-D141 WeakPolarHBondContact O-CB 3.42Å; S137-D141 PolarHBondContact O-N 2.81Å; S137-D141 PolarHBondContact OG-OD2 2.73Å; S137-K145 PolarHBondContact OG-N 3.47Å
138	R	93.3	Very high	92.7	Very high	99 Å²	99	56.5 Å²	56.5	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-68.2	-28.6	174.5	-72.5	177.8	-174.2	179.9	5.8	114.1	T134 W135 R136 P144 Q216	T134-R138 WeakPolarHBondContact O-CG 3.37Å; T134-R138 PolarHBondContact O-N 3.2Å; W135-R138 PolarHBondContact O-N 3.4Å; R136-R138 VanDerWaalsContact C-N 3.33Å; R136-R138 PolarHBondContact O-N 2.82Å; R138-P144 HydrophobicContact CG-CB 4.18Å; R138-Q216 PolarHBondContact NH1-O 3.33Å; R138-Q216 PolarHBondContact NH2-O 2.75Å
139	T	89.6	Confident	92.7	Very high	79 Å²	79	56.6 Å²	56.6	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-101.4	-25.3	-172.6	51.1	0	0	0	0	113.5	W135 R136 S137	W135-T139 HydrophobicContact CD2-CG2 4.34Å; W135-T139 HydrophobicContact CZ2-CG2 4.09Å; W135-T139 WeakPolarHBondContact O-CG2 3.11Å; W135-T139 PolarHBondContact O-N 2.91Å; W135-T139 VanDerWaalsContact O-N 3.12Å; W135-T139 PolarHBondContact O-OG1 2.7Å; R136-T139 PolarHBondContact O-N 3.26Å; R136-T139 PolarHBondContact O-OG1 3.44Å; S137-T139 VanDerWaalsContact C-N 3.32Å; S137-T139 PolarHBondContact O-N 2.64Å
140	Q	88.9	Confident	92.6	Very high	140 Å²	140	58.1 Å²	58.1	65%	0.654	28%	0.28	S	S	*	.	H	α-helix	trans	-118.2	-25.7	-171.7	-58.9	-178.8	-3	0	0	113.8	R136	R136-Q140 VanDerWaalsContact O-CB 3.3Å; R136-Q140 WeakPolarHBondContact O-CB 3.2Å; R136-Q140 PolarHBondContact O-N 3.33Å
141	D	90.1	Very high	92.4	Very high	73 Å²	73	62 Å²	62	39%	0.39	30%	0.301	S	S	.	.			trans	-92.4	140.4	-178.6	-58.5	-22.1	0	0	0	110.9	S137 H143	S137-D141 WeakPolarHBondContact CA-OD2 3.45Å; S137-D141 WeakPolarHBondContact CB-OD2 3.42Å; S137-D141 WeakPolarHBondContact O-CB 3.42Å; S137-D141 PolarHBondContact O-N 2.81Å; S137-D141 PolarHBondContact OG-OD2 2.73Å; D141-H143 PolarHBondContact O-N 3.23Å
142	E	84.6	Confident	92.3	Very high	179 Å²	179	67.2 Å²	67.2	84%	0.836	32%	0.323	S	S	*	.	S	Bend	trans	-62.7	-28.9	172.8	-167.9	-179	-172.1	0	0	111.9
143	H	85.7	Confident	92.2	Very high	140 Å²	140	69.5 Å²	69.5	65%	0.648	34%	0.336	S	S	*	.	S	Bend	trans	-125.9	91.8	178.4	-62.8	82.6	0	0	0	110.1	D141 K145	D141-H143 PolarHBondContact O-N 3.23Å; H143-K145 PolarHBondContact O-N 2.84Å
144	P	88.4	Confident	92.2	Very high	76 Å²	76	68.4 Å²	68.4	49%	0.494	33%	0.33	S	S	.	.			trans	-59.7	131.3	-176	-28.5	36.6	0	0	0	113.6	R138	R138-P144 HydrophobicContact CG-CB 4.18Å
145	K	90.3	Very high	92.1	Very high	115 Å²	115	70 Å²	70	50%	0.5	34%	0.338	S	S	.	.			trans	-96.4	143.5	175.8	-58.9	176.3	-172.1	171.6	0	110.3	S137 H143 F148	S137-K145 PolarHBondContact OG-N 3.47Å; H143-K145 PolarHBondContact O-N 2.84Å; K145-F148 HydrophobicContact CB-CE1 4.16Å; K145-F148 HydrophobicContact CB-CZ 4.18Å; K145-F148 WeakPolarHBondContact O-CZ 3.49Å
146	T	90.1	Very high	92.1	Very high	67 Å²	67	70 Å²	70	41%	0.411	35%	0.346	S	S	.	.	S	Bend	trans	-111.9	-7.5	173.7	56.2	0	0	0	0	112.9	G212	T146-G212 VanDerWaalsContact O-CA 3.32Å; T146-G212 WeakPolarHBondContact O-CA 3.27Å
147	M	93.4	Very high	92.1	Very high	45 Å²	45	66.8 Å²	66.8	22%	0.222	33%	0.334	C	S	.	.			trans	-131.9	132.6	-176.8	-62.6	-69.5	-71.5	0	0	109.6	L192 K194 K210 F211 G212	M147-L192 HydrophobicContact CE-CB 4.26Å; M147-L192 HydrophobicContact SD-CB 3.9Å; M147-L192 HydrophobicContact SD-CD1 4.36Å; M147-K194 HydrophobicContact CE-CB 3.69Å; M147-K210 HydrophobicContact CB-CB 4.23Å; M147-K210 HydrophobicContact CE-CB 4.33Å; M147-K210 WeakPolarHBondContact CE-O 3.07Å; M147-F211 CarbonylContact C-O 3.54Å; M147-F211 WeakPolarHBondContact CA-O 3.44Å; M147-G212 PolarHBondContact SD-N 3.38Å
148	F	95.8	Very high	92	Very high	7 Å²	7	66.7 Å²	66.7	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	-170.9	-62.3	-82.8	0	0	0	110.9	L130 L133 T134 K145 D153 I154 K210 F211	L130-F148 HydrophobicContact CD2-CB 4.08Å; L130-F148 HydrophobicContact CD2-CD2 3.77Å; L130-F148 HydrophobicContact CD2-CG 4.31Å; L133-F148 HydrophobicContact CB-CD1 3.85Å; L133-F148 HydrophobicContact CB-CD2 4.11Å; L133-F148 HydrophobicContact CB-CE1 3.72Å; L133-F148 HydrophobicContact CB-CE2 3.99Å; L133-F148 HydrophobicContact CB-CG 4.05Å; L133-F148 HydrophobicContact CB-CZ 3.8Å; L133-F148 HydrophobicContact CD1-CB 4.24Å; L133-F148 HydrophobicContact CD1-CD1 4.21Å; L133-F148 HydrophobicContact CD1-CG 4.11Å; L133-F148 HydrophobicContact CG-CD1 4.44Å; L133-F148 WeakPolarHBondContact O-CZ 3.44Å; T134-F148 WeakPolarHBondContact OG1-CE2 3.43Å; K145-F148 HydrophobicContact CB-CE1 4.16Å; K145-F148 HydrophobicContact CB-CZ 4.18Å; K145-F148 WeakPolarHBondContact O-CZ 3.49Å; F148-D153 HydrophobicContact CB-CB 3.88Å; F148-D153 HydrophobicContact CD1-CB 4.28Å; F148-I154 HydrophobicContact CB-CG1 4.3Å; F148-K210 CarbonylContact O-C 3.48Å; F148-K210 VanDerWaalsContact O-CA 3.24Å; F148-K210 WeakPolarHBondContact O-CA 3.44Å; F148-F211 PolarHBondContact N-O 3.26Å; F148-F211 PolarHBondContact O-N 2.89Å
149	S	95.6	Very high	91.8	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.7	178.9	-178.9	0	0	0	0	110.9	D151 D153 I154 E207	S149-D151 VanDerWaalsContact C-N 3.35Å; S149-D151 PolarHBondContact O-N 3.02Å; S149-D153 WeakPolarHBondContact CB-OD2 3.25Å; S149-D153 PolarHBondContact N-OD2 2.87Å; S149-D153 WeakPolarHBondContact O-CB 3.49Å; S149-D153 PolarHBondContact O-N 3Å; S149-I154 PolarHBondContact O-N 2.84Å; S149-I154 VanDerWaalsContact O-N 3.08Å; S149-E207 VanDerWaalsContact CB-O 3.27Å; S149-E207 WeakPolarHBondContact CB-O 3.45Å; S149-E207 PolarHBondContact OG-O 2.8Å
150	K	94.3	Very high	91.9	Very high	31 Å²	31	68.2 Å²	68.2	14%	0.135	34%	0.338	C	S	.	.	I	π-helix	trans	-53.7	-51.9	173.7	177.8	-169	156	-146.2	0	112	I155 P177 I180 V181 P209 F211	K150-I155 HydrophobicContact CG-CD1 3.94Å; K150-I155 HydrophobicContact CG-CG1 4.45Å; K150-I155 WeakPolarHBondContact O-CB 3.45Å; K150-I155 WeakPolarHBondContact O-CG1 3.37Å; K150-I155 PolarHBondContact O-N 3.22Å; K150-P177 WeakPolarHBondContact CE-O 3.31Å; K150-I180 HydrophobicContact CG-CD1 4.27Å; K150-I180 HydrophobicContact CG-CG2 4.26Å; K150-V181 HydrophobicContact CD-CG2 3.75Å; K150-P209 HydrophobicContact CB-CG 4.33Å; K150-P209 HydrophobicContact CD-CG 4.28Å; K150-P209 PolarHBondContact N-O 3.4Å; K150-F211 HydrophobicContact CB-CD2 4.3Å; K150-F211 HydrophobicContact CB-CE2 3.91Å
151	D	92.1	Very high	91.9	Very high	82 Å²	82	63 Å²	63	44%	0.439	31%	0.314	S	S	.	.	I	π-helix	trans	-86.4	-31.5	-167.9	-60.9	-53.8	0	0	0	112.2	S149 I155 P156	S149-D151 VanDerWaalsContact C-N 3.35Å; S149-D151 PolarHBondContact O-N 3.02Å; D151-I155 WeakPolarHBondContact OD1-CD1 3.36Å; D151-P156 WeakPolarHBondContact O-CD 3.49Å
152	K	93.9	Very high	91.7	Very high	109 Å²	109	60.5 Å²	60.5	47%	0.474	30%	0.299	S	S	.	.	I	π-helix	trans	-90.1	-28.5	179.9	-60	-174.8	-177.4	177	0	114.5	P156 E207	K152-P156 WeakPolarHBondContact O-CG 3.27Å; K152-E207 HydrophobicContact CD-CG 4.32Å; K152-E207 IonicContact NZ-OE1 2.77Å; K152-E207 PolarHBondContact NZ-OE1 3.15Å
153	D	95.2	Very high	91.7	Very high	52 Å²	52	59.5 Å²	59.5	28%	0.278	29%	0.294	S	S	.	.	I	π-helix	trans	-117.7	-57.1	-171.9	-54.3	-51.8	0	0	0	112.4	L133 F148 S149 F157	L133-D153 HydrophobicContact CD1-CB 4.05Å; F148-D153 HydrophobicContact CB-CB 3.88Å; F148-D153 HydrophobicContact CD1-CB 4.28Å; S149-D153 WeakPolarHBondContact CB-OD2 3.25Å; S149-D153 PolarHBondContact N-OD2 2.87Å; S149-D153 WeakPolarHBondContact O-CB 3.49Å; S149-D153 PolarHBondContact O-N 3Å; D153-F157 VanDerWaalsContact O-CB 3.29Å; D153-F157 WeakPolarHBondContact O-CB 3.42Å; D153-F157 PolarHBondContact O-N 2.89Å
154	I	95.2	Very high	91.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.27	C	S	.	.	I	π-helix	trans	-71.2	-48.4	-169.7	-58.8	173.2	0	0	0	111.4	L130 L133 F148 S149 F157 I158 M184 F211	L130-I154 HydrophobicContact CD2-CD1 3.88Å; L130-I154 HydrophobicContact CD2-CG1 4.15Å; L133-I154 HydrophobicContact CD1-CG1 4.33Å; F148-I154 HydrophobicContact CB-CG1 4.3Å; S149-I154 PolarHBondContact O-N 2.84Å; S149-I154 VanDerWaalsContact O-N 3.08Å; I154-F157 PolarHBondContact O-N 3.06Å; I154-I158 HydrophobicContact CG2-CD1 3.86Å; I154-I158 WeakPolarHBondContact O-CG1 3.35Å; I154-I158 PolarHBondContact O-N 2.82Å; I154-M184 HydrophobicContact CD1-CE 4.45Å; I154-M184 HydrophobicContact CD1-SD 4.48Å; I154-F211 HydrophobicContact CD1-CB 3.82Å; I154-F211 HydrophobicContact CD1-CD2 3.86Å; I154-F211 HydrophobicContact CD1-CG 4.14Å
155	I	93.8	Very high	91	Very high	32 Å²	32	50.4 Å²	50.4	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-50.2	179.8	-73.6	164.5	0	0	0	111.4	K150 D151 F157 I158 D159 W176 P177 I180	K150-I155 HydrophobicContact CG-CD1 3.94Å; K150-I155 HydrophobicContact CG-CG1 4.45Å; K150-I155 WeakPolarHBondContact O-CB 3.45Å; K150-I155 WeakPolarHBondContact O-CG1 3.37Å; K150-I155 PolarHBondContact O-N 3.22Å; D151-I155 WeakPolarHBondContact OD1-CD1 3.36Å; I155-F157 VanDerWaalsContact C-N 3.32Å; I155-F157 PolarHBondContact O-N 2.58Å; I155-I158 PolarHBondContact O-N 3.35Å; I155-D159 WeakPolarHBondContact O-CB 3.5Å; I155-D159 PolarHBondContact O-N 3.4Å; I155-W176 HydrophobicContact CB-CH2 4.2Å; I155-W176 HydrophobicContact CG1-CH2 4.05Å; I155-W176 HydrophobicContact CG1-CZ3 4.16Å; I155-W176 HydrophobicContact CG2-CH2 4.05Å; I155-W176 HydrophobicContact CG2-CZ2 4.46Å; I155-P177 HydrophobicContact CD1-CB 3.74Å; I155-P177 HydrophobicContact CG1-CB 4.2Å; I155-I180 HydrophobicContact CD1-CD1 4.06Å; I155-I180 HydrophobicContact CG1-CD1 3.5Å; I155-I180 VanDerWaalsContact CG1-CD1 3.5Å
156	P	94.8	Very high	90.1	Very high	61 Å²	61	45.5 Å²	45.5	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-37.5	177.5	-28.1	38.9	0	0	0	113.5	D151 K152 D159 K160	D151-P156 WeakPolarHBondContact O-CD 3.49Å; K152-P156 WeakPolarHBondContact O-CG 3.27Å; P156-D159 PolarHBondContact O-N 2.81Å; P156-K160 VanDerWaalsContact O-CB 3.26Å; P156-K160 WeakPolarHBondContact O-CB 3.45Å; P156-K160 PolarHBondContact O-N 3.47Å
157	F	94.8	Very high	89.1	Confident	10 Å²	10	46.8 Å²	46.8	4%	0.044	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-48.7	175.2	-174.9	-80.1	0	0	0	111.2	L94 A129 N132 L133 D153 I154 I155 D159 K160 H161 M165	L94-F157 HydrophobicContact CD1-CE1 4.36Å; A129-F157 HydrophobicContact CB-CD1 3.53Å; A129-F157 HydrophobicContact CB-CE1 4.01Å; A129-F157 HydrophobicContact CB-CG 4.27Å; N132-F157 HydrophobicContact CB-CE1 4.32Å; N132-F157 HydrophobicContact CB-CE2 3.61Å; N132-F157 HydrophobicContact CB-CZ 3.38Å; L133-F157 HydrophobicContact CD1-CB 4.43Å; L133-F157 HydrophobicContact CD2-CD2 3.99Å; L133-F157 HydrophobicContact CG-CD2 4.07Å; L133-F157 HydrophobicContact CG-CG 4.44Å; D153-F157 VanDerWaalsContact O-CB 3.29Å; D153-F157 WeakPolarHBondContact O-CB 3.42Å; D153-F157 PolarHBondContact O-N 2.89Å; I154-F157 PolarHBondContact O-N 3.06Å; I155-F157 VanDerWaalsContact C-N 3.32Å; I155-F157 PolarHBondContact O-N 2.58Å; F157-D159 VanDerWaalsContact C-N 3.33Å; F157-D159 PolarHBondContact O-N 3.28Å; F157-K160 PolarHBondContact O-N 2.76Å; F157-H161 AromaticContact CE1-CD2 3.9Å; F157-H161 AromaticContact CE2-CD2 3.82Å; F157-H161 AromaticContact CZ-CD2 3.72Å; F157-H161 PolarHBondContact O-CD2 2.93Å; F157-H161 PolarHBondContact O-N 3.1Å; F157-H161 VanDerWaalsContact O-N 3.1Å; F157-M165 HydrophobicContact CD1-CE 3.99Å; F157-M165 HydrophobicContact CE1-CE 3.94Å
158	I	92.2	Very high	87.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-40.8	-179.6	-68.5	173.7	0	0	0	111.6	M125 A129 I154 I155 H161 W162 M165 W176	M125-I158 HydrophobicContact CB-CD1 4.4Å; M125-I158 HydrophobicContact CE-CG2 3.48Å; M125-I158 VanDerWaalsContact CE-CG2 3.48Å; A129-I158 HydrophobicContact CB-CD1 4.25Å; A129-I158 HydrophobicContact CB-CG1 3.89Å; I154-I158 HydrophobicContact CG2-CD1 3.86Å; I154-I158 WeakPolarHBondContact O-CG1 3.35Å; I154-I158 PolarHBondContact O-N 2.82Å; I155-I158 PolarHBondContact O-N 3.35Å; I158-H161 CarbonylContact O-C 3.59Å; I158-H161 PolarHBondContact O-N 2.81Å; I158-W162 HydrophobicContact CG2-CE3 4.19Å; I158-W162 HydrophobicContact CG2-CZ3 4.36Å; I158-W162 WeakPolarHBondContact O-CA 3.38Å; I158-W162 PolarHBondContact O-N 2.97Å; I158-M165 VanDerWaalsContact CA-CE 3.45Å; I158-M165 HydrophobicContact CB-CE 4.18Å; I158-M165 HydrophobicContact CB-SD 4.39Å; I158-M165 HydrophobicContact CG1-CE 4.13Å; I158-M165 HydrophobicContact CG1-SD 3.9Å; I158-M165 HydrophobicContact CG2-CE 4.35Å; I158-M165 HydrophobicContact CG2-SD 4.3Å; I158-W176 HydrophobicContact CB-CH2 3.51Å; I158-W176 HydrophobicContact CB-CZ2 4.25Å; I158-W176 HydrophobicContact CB-CZ3 3.9Å; I158-W176 HydrophobicContact CD1-CH2 4.31Å; I158-W176 HydrophobicContact CD1-CZ3 3.79Å; I158-W176 HydrophobicContact CG1-CH2 4.49Å; I158-W176 HydrophobicContact CG1-CZ3 4.44Å; I158-W176 HydrophobicContact CG2-CE3 4.3Å; I158-W176 HydrophobicContact CG2-CH2 3.38Å; I158-W176 HydrophobicContact CG2-CZ2 3.74Å; I158-W176 HydrophobicContact CG2-CZ3 3.67Å
159	D	89.2	Confident	86.5	Confident	51 Å²	51	60.2 Å²	60.2	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-41.8	179.3	-161.7	64.1	0	0	0	112.2	I155 P156 F157 H161 R170 L174	I155-D159 WeakPolarHBondContact O-CB 3.5Å; I155-D159 PolarHBondContact O-N 3.4Å; P156-D159 PolarHBondContact O-N 2.81Å; F157-D159 VanDerWaalsContact C-N 3.33Å; F157-D159 PolarHBondContact O-N 3.28Å; D159-H161 VanDerWaalsContact C-N 3.32Å; D159-H161 PolarHBondContact O-N 2.83Å; D159-R170 IonicContact OD1-CZ 3.51Å; D159-R170 IonicContact OD1-NE 2.61Å; D159-R170 IonicContact OD1-NH2 2.75Å; D159-R170 PolarHBondContact OD1-NH2 2.67Å; D159-R170 IonicContact OD2-CZ 2.91Å; D159-R170 IonicContact OD2-NH2 2.91Å; D159-R170 PolarHBondContact OD2-NH2 2.86Å; D159-L174 WeakPolarHBondContact OD1-CD1 3.07Å
160	K	91.4	Very high	85.4	Confident	159 Å²	159	66.9 Å²	66.9	69%	0.691	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-37.7	177.3	-179	177.4	178.8	178.7	0	112.5	P156 F157	P156-K160 VanDerWaalsContact O-CB 3.26Å; P156-K160 WeakPolarHBondContact O-CB 3.45Å; P156-K160 PolarHBondContact O-N 3.47Å; F157-K160 PolarHBondContact O-N 2.76Å
161	H	89.6	Confident	84.1	Confident	30 Å²	30	67.6 Å²	67.6	14%	0.139	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	26.3	-174.5	-63.2	-72.4	0	0	0	112.9	L94 F157 I158 D159 E163 C164 M165	L94-H161 HydrophobicContact CD1-CB 3.91Å; L94-H161 HydrophobicContact CD2-CB 4.3Å; F157-H161 AromaticContact CE1-CD2 3.9Å; F157-H161 AromaticContact CE2-CD2 3.82Å; F157-H161 AromaticContact CZ-CD2 3.72Å; F157-H161 PolarHBondContact O-CD2 2.93Å; F157-H161 PolarHBondContact O-N 3.1Å; F157-H161 VanDerWaalsContact O-N 3.1Å; I158-H161 CarbonylContact O-C 3.59Å; I158-H161 PolarHBondContact O-N 2.81Å; D159-H161 VanDerWaalsContact C-N 3.32Å; D159-H161 PolarHBondContact O-N 2.83Å; H161-E163 VanDerWaalsContact C-N 3.32Å; H161-E163 PolarHBondContact O-N 2.82Å; H161-C164 PolarHBondContact O-N 3.13Å; H161-C164 VanDerWaalsContact O-N 3.1Å; H161-M165 HydrophobicContact CB-CE 3.46Å; H161-M165 VanDerWaalsContact CB-CE 3.46Å; H161-M165 WeakPolarHBondContact O-CE 3.23Å; H161-M165 PolarHBondContact O-N 2.79Å; H161-M165 VanDerWaalsContact O-N 3.09Å
162	W	86.1	Confident	82.8	Confident	21 Å²	21	67.9 Å²	67.9	8%	0.08	35%	0.346	C	S	.	.	H	α-helix	trans	-53.4	-46.6	-175.1	-177.6	-90.4	0	0	0	112.9	M125 I158 C164 M165 T166 R168 W176	M125-W162 HydrophobicContact CE-CE3 4.18Å; M125-W162 HydrophobicContact CE-CZ3 3.95Å; I158-W162 HydrophobicContact CG2-CE3 4.19Å; I158-W162 HydrophobicContact CG2-CZ3 4.36Å; I158-W162 WeakPolarHBondContact O-CA 3.38Å; I158-W162 PolarHBondContact O-N 2.97Å; W162-C164 VanDerWaalsContact C-N 3.26Å; W162-C164 PolarHBondContact O-N 3.18Å; W162-M165 PolarHBondContact O-N 2.93Å; W162-M165 VanDerWaalsContact O-N 3.17Å; W162-T166 HydrophobicContact CD2-CG2 4.08Å; W162-T166 HydrophobicContact CG-CG2 4.43Å; W162-T166 HydrophobicContact CH2-CG2 4.43Å; W162-T166 HydrophobicContact CZ2-CG2 3.76Å; W162-T166 PolarHBondContact O-N 2.75Å; W162-R168 PolarHBondContact NE1-O 3Å; W162-W176 AromaticContact CH2-CD1 3.65Å; W162-W176 HydrophobicContact CH2-CG 4.36Å; W162-W176 AromaticContact CH2-NE1 3.79Å; W162-W176 AromaticContact CZ3-CD1 3.55Å; W162-W176 HydrophobicContact CZ3-CD2 4.2Å; W162-W176 AromaticContact CZ3-CE2 3.72Å; W162-W176 HydrophobicContact CZ3-CG 4.14Å; W162-W176 HydrophobicContact CZ3-CZ2 4.33Å; W162-W176 AromaticContact CZ3-NE1 3.26Å; W162-W176 VanDerWaalsContact CZ3-NE1 3.26Å
163	E	83.2	Confident	81.8	Confident	159 Å²	159	71.4 Å²	71.4	74%	0.743	36%	0.361	S	S	*	.	H	α-helix	trans	-69.2	-23.7	-177	-61.4	179.5	175.6	0	0	113.1	R117 H161	R117-E163 PolarHBondContact NH1-O 3.31Å; H161-E163 VanDerWaalsContact C-N 3.32Å; H161-E163 PolarHBondContact O-N 2.82Å
164	C	82.2	Confident	80.7	Confident	20 Å²	20	72 Å²	72	14%	0.135	36%	0.364	C	S	.	.	H	α-helix	trans	-82.2	-31.7	173.7	-52.7	0	0	0	0	111.8	T92 L94 R117 H161 W162	T92-C164 WeakPolarHBondContact O-CA 3.41Å; L94-C164 HydrophobicContact CD1-CB 3.93Å; L94-C164 HydrophobicContact CD2-CB 4.25Å; L94-C164 HydrophobicContact CG-CB 3.68Å; R117-C164 PolarHBondContact NH1-O 3.25Å; H161-C164 PolarHBondContact O-N 3.13Å; H161-C164 VanDerWaalsContact O-N 3.1Å; W162-C164 VanDerWaalsContact C-N 3.26Å; W162-C164 PolarHBondContact O-N 3.18Å
165	M	77.8	Confident	80	Confident	4 Å²	4	76.6 Å²	76.6	2%	0.02	39%	0.392	C	S	.	.	H	α-helix	trans	-84.6	-30.5	-176.8	-91.4	179	-87.4	0	0	114.4	L94 A120 M125 F157 I158 H161 W162	L94-M165 HydrophobicContact CD1-CE 4.13Å; L94-M165 HydrophobicContact CD1-CG 4.01Å; A120-M165 WeakPolarHBondContact CB-O 3.2Å; M125-M165 HydrophobicContact CB-SD 4.12Å; M125-M165 HydrophobicContact CE-CB 3.86Å; M125-M165 HydrophobicContact CE-SD 4.21Å; M125-M165 HydrophobicContact CG-CB 4.27Å; M125-M165 HydrophobicContact CG-CG 4.49Å; M125-M165 HydrophobicContact CG-SD 4.38Å; F157-M165 HydrophobicContact CD1-CE 3.99Å; F157-M165 HydrophobicContact CE1-CE 3.94Å; I158-M165 VanDerWaalsContact CA-CE 3.45Å; I158-M165 HydrophobicContact CB-CE 4.18Å; I158-M165 HydrophobicContact CB-SD 4.39Å; I158-M165 HydrophobicContact CG1-CE 4.13Å; I158-M165 HydrophobicContact CG1-SD 3.9Å; I158-M165 HydrophobicContact CG2-CE 4.35Å; I158-M165 HydrophobicContact CG2-SD 4.3Å; H161-M165 HydrophobicContact CB-CE 3.46Å; H161-M165 VanDerWaalsContact CB-CE 3.46Å; H161-M165 WeakPolarHBondContact O-CE 3.23Å; H161-M165 PolarHBondContact O-N 2.79Å; H161-M165 VanDerWaalsContact O-N 3.09Å; W162-M165 PolarHBondContact O-N 2.93Å; W162-M165 VanDerWaalsContact O-N 3.17Å
166	T	71.9	Confident	79.5	Confident	12 Å²	12	76.2 Å²	76.2	7%	0.074	39%	0.388	C	S	.	.			trans	-145.1	146	-177.9	-166.5	0	0	0	0	112.9	W162 R168	W162-T166 HydrophobicContact CD2-CG2 4.08Å; W162-T166 HydrophobicContact CG-CG2 4.43Å; W162-T166 HydrophobicContact CH2-CG2 4.43Å; W162-T166 HydrophobicContact CZ2-CG2 3.76Å; W162-T166 PolarHBondContact O-N 2.75Å; T166-R168 HydrophobicContact CG2-CB 4.18Å; T166-R168 PolarHBondContact OG1-N 3.35Å
167	T	68	Low	79.3	Confident	94 Å²	94	74.3 Å²	74.3	58%	0.577	38%	0.376	S	S	*	.			trans	-84.2	1.1	172.9	54.5	0	0	0	0	112.6
168	R	68.8	Low	78.9	Confident	161 Å²	161	79.8 Å²	79.8	61%	0.608	41%	0.406	S	S	*	.	S	Bend	trans	-78.1	131.6	-179.4	-169	178.6	-178	177.6	2.2	111.1	W162 T166 R170	W162-R168 PolarHBondContact NE1-O 3Å; T166-R168 HydrophobicContact CG2-CB 4.18Å; T166-R168 PolarHBondContact OG1-N 3.35Å; R168-R170 PolarHBondContact O-N 2.79Å
169	Q	66.1	Low	78.9	Confident	173 Å²	173	83.5 Å²	83.5	81%	0.808	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-53	132.7	170.3	-74.2	-169.9	-11.4	0	0	110.9	P171	Q169-P171 VanDerWaalsContact O-CD 3.23Å; Q169-P171 WeakPolarHBondContact O-CD 3.14Å
170	R	72.6	Confident	79.1	Confident	143 Å²	143	81 Å²	81	54%	0.54	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-59.7	116.4	-177.1	-166.9	171.8	-174.3	179.2	0	109.9	D159 R168 L174	D159-R170 IonicContact OD1-CZ 3.51Å; D159-R170 IonicContact OD1-NE 2.61Å; D159-R170 IonicContact OD1-NH2 2.75Å; D159-R170 PolarHBondContact OD1-NH2 2.67Å; D159-R170 IonicContact OD2-CZ 2.91Å; D159-R170 IonicContact OD2-NH2 2.91Å; D159-R170 PolarHBondContact OD2-NH2 2.86Å; R168-R170 PolarHBondContact O-N 2.79Å; R170-L174 HydrophobicContact CG-CD2 4.39Å
171	P	67	Low	79.2	Confident	46 Å²	46	75.6 Å²	75.6	30%	0.299	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-66	142.5	178.5	-19.2	31.9	0	0	0	110.8	Q169 K173	Q169-P171 VanDerWaalsContact O-CD 3.23Å; Q169-P171 WeakPolarHBondContact O-CD 3.14Å; P171-K173 PolarHBondContact O-N 2.9Å; P171-K173 VanDerWaalsContact O-N 3.14Å
172	G	65.9	Low	79.5	Confident	89 Å²	89	81.8 Å²	81.8	92%	0.918	42%	0.419	S	S	*	.	S	Bend	trans	-63.1	-17.3	176.1	0	0	0	0	0	114.7
173	K	71.6	Confident	79.8	Confident	182 Å²	182	82.3 Å²	82.3	79%	0.791	42%	0.424	S	S	*	.	S	Bend	trans	-130.2	121	168.3	-71.2	-174.5	179	-178.1	0	109.6	P171 T175	P171-K173 PolarHBondContact O-N 2.9Å; P171-K173 VanDerWaalsContact O-N 3.14Å; K173-T175 PolarHBondContact O-N 2.9Å
174	L	72	Confident	80.3	Confident	65 Å²	65	74.7 Å²	74.7	34%	0.34	39%	0.389	S	S	.	.			trans	-81.7	105.8	-179.2	-59.8	172.4	0	0	0	110.2	D159 R170	D159-L174 WeakPolarHBondContact OD1-CD1 3.07Å; R170-L174 HydrophobicContact CG-CD2 4.39Å
175	T	81.5	Confident	80.8	Confident	96 Å²	96	75 Å²	75	59%	0.589	39%	0.392	S	S	*	.			trans	-99.9	-9.4	178.4	55.7	0	0	0	0	113.7	K173	K173-T175 PolarHBondContact O-N 2.9Å
176	W	82.9	Confident	81.6	Confident	25 Å²	25	82.4 Å²	82.4	10%	0.095	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-65.4	-31.1	179.6	66.5	-92.2	0	0	0	114.9	L122 I155 I158 W162 N178 N179 I180	L122-W176 HydrophobicContact CD1-CE3 4.18Å; I155-W176 HydrophobicContact CB-CH2 4.2Å; I155-W176 HydrophobicContact CG1-CH2 4.05Å; I155-W176 HydrophobicContact CG1-CZ3 4.16Å; I155-W176 HydrophobicContact CG2-CH2 4.05Å; I155-W176 HydrophobicContact CG2-CZ2 4.46Å; I158-W176 HydrophobicContact CB-CH2 3.51Å; I158-W176 HydrophobicContact CB-CZ2 4.25Å; I158-W176 HydrophobicContact CB-CZ3 3.9Å; I158-W176 HydrophobicContact CD1-CH2 4.31Å; I158-W176 HydrophobicContact CD1-CZ3 3.79Å; I158-W176 HydrophobicContact CG1-CH2 4.49Å; I158-W176 HydrophobicContact CG1-CZ3 4.44Å; I158-W176 HydrophobicContact CG2-CE3 4.3Å; I158-W176 HydrophobicContact CG2-CH2 3.38Å; I158-W176 HydrophobicContact CG2-CZ2 3.74Å; I158-W176 HydrophobicContact CG2-CZ3 3.67Å; W162-W176 AromaticContact CH2-CD1 3.65Å; W162-W176 HydrophobicContact CH2-CG 4.36Å; W162-W176 AromaticContact CH2-NE1 3.79Å; W162-W176 AromaticContact CZ3-CD1 3.55Å; W162-W176 HydrophobicContact CZ3-CD2 4.2Å; W162-W176 AromaticContact CZ3-CE2 3.72Å; W162-W176 HydrophobicContact CZ3-CG 4.14Å; W162-W176 HydrophobicContact CZ3-CZ2 4.33Å; W162-W176 AromaticContact CZ3-NE1 3.26Å; W162-W176 VanDerWaalsContact CZ3-NE1 3.26Å; W176-N178 PolarHBondContact O-N 2.81Å; W176-N178 VanDerWaalsContact O-N 3.14Å; W176-N179 PolarHBondContact O-N 2.79Å; W176-I180 HydrophobicContact CE3-CD1 3.96Å; W176-I180 HydrophobicContact CE3-CG1 4.15Å; W176-I180 HydrophobicContact CZ3-CD1 3.54Å; W176-I180 HydrophobicContact CZ3-CG1 4.2Å
177	P	89.7	Confident	82.5	Confident	20 Å²	20	84 Å²	84	13%	0.13	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.9	179.7	-28.1	39.1	0	0	0	113.6	K150 I155 N179 I180	K150-P177 WeakPolarHBondContact CE-O 3.31Å; I155-P177 HydrophobicContact CD1-CB 3.74Å; I155-P177 HydrophobicContact CG1-CB 4.2Å; P177-N179 PolarHBondContact O-N 2.87Å; P177-I180 PolarHBondContact O-N 2.91Å
178	N	88.1	Confident	83.6	Confident	126 Å²	126	85.2 Å²	85.2	67%	0.674	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-68.7	-20	179.3	-63.8	-17.3	0	0	0	112.9	W176	W176-N178 PolarHBondContact O-N 2.81Å; W176-N178 VanDerWaalsContact O-N 3.14Å
179	N	91.9	Very high	84.6	Confident	77 Å²	77	82.7 Å²	82.7	41%	0.412	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-95.9	-11.5	-177.5	-66.3	-49.2	0	0	0	113.4	L122 W176 P177 V181 K182 T183	L122-N179 HydrophobicContact CD2-CB 3.58Å; W176-N179 PolarHBondContact O-N 2.79Å; P177-N179 PolarHBondContact O-N 2.87Å; N179-V181 PolarHBondContact O-N 3.32Å; N179-K182 PolarHBondContact O-N 2.91Å; N179-T183 WeakPolarHBondContact O-CB 3.49Å; N179-T183 PolarHBondContact O-N 3.37Å; N179-T183 PolarHBondContact O-OG1 3.06Å
180	I	93.2	Very high	85.7	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-56.4	-53.4	-175.6	-64.1	175.4	0	0	0	111.3	K150 I155 W176 P177 K182 T183 M184	K150-I180 HydrophobicContact CG-CD1 4.27Å; K150-I180 HydrophobicContact CG-CG2 4.26Å; I155-I180 HydrophobicContact CD1-CD1 4.06Å; I155-I180 HydrophobicContact CG1-CD1 3.5Å; I155-I180 VanDerWaalsContact CG1-CD1 3.5Å; W176-I180 HydrophobicContact CE3-CD1 3.96Å; W176-I180 HydrophobicContact CE3-CG1 4.15Å; W176-I180 HydrophobicContact CZ3-CD1 3.54Å; W176-I180 HydrophobicContact CZ3-CG1 4.2Å; P177-I180 PolarHBondContact O-N 2.91Å; I180-K182 VanDerWaalsContact C-N 3.3Å; I180-K182 PolarHBondContact O-N 3.09Å; I180-T183 PolarHBondContact O-N 3.07Å; I180-M184 HydrophobicContact CG2-CG 4.34Å; I180-M184 HydrophobicContact CG2-SD 3.52Å; I180-M184 VanDerWaalsContact CG2-SD 3.52Å; I180-M184 WeakPolarHBondContact O-CG 3.12Å; I180-M184 PolarHBondContact O-N 2.85Å
181	V	93.9	Very high	86.9	Confident	45 Å²	45	69.1 Å²	69.1	27%	0.273	37%	0.367	S	S	.	.	H	α-helix	trans	-57.4	-47.1	-178.7	-177.7	0	0	0	0	110.2	K150 N179 T183 S185 P209 F211	K150-V181 HydrophobicContact CD-CG2 3.75Å; N179-V181 PolarHBondContact O-N 3.32Å; V181-T183 PolarHBondContact O-N 3.17Å; V181-S185 WeakPolarHBondContact O-CB 3.23Å; V181-S185 PolarHBondContact O-N 2.99Å; V181-S185 PolarHBondContact O-OG 3.38Å; V181-P209 HydrophobicContact CG2-CG 4.02Å; V181-F211 HydrophobicContact CB-CZ 4.37Å; V181-F211 HydrophobicContact CG1-CZ 4.42Å; V181-F211 HydrophobicContact CG2-CZ 4.12Å
182	K	94.3	Very high	88.2	Confident	159 Å²	159	70.1 Å²	70.1	69%	0.691	37%	0.37	S	S	*	.	H	α-helix	trans	-61.5	-44.7	179.3	-177.5	179.2	177.9	179	0	112.2	N179 I180 K186	N179-K182 PolarHBondContact O-N 2.91Å; I180-K182 VanDerWaalsContact C-N 3.3Å; I180-K182 PolarHBondContact O-N 3.09Å; K182-K186 WeakPolarHBondContact O-CB 3.39Å; K182-K186 PolarHBondContact O-N 2.95Å
183	T	93.7	Very high	89.5	Confident	32 Å²	32	67.1 Å²	67.1	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-50.2	-179.4	-68.2	0	0	0	0	111.1	L122 K123 N179 I180 V181 K186 E187	L122-T183 HydrophobicContact CG-CG2 4.47Å; K123-T183 HydrophobicContact CB-CG2 4.11Å; N179-T183 WeakPolarHBondContact O-CB 3.49Å; N179-T183 PolarHBondContact O-N 3.37Å; N179-T183 PolarHBondContact O-OG1 3.06Å; I180-T183 PolarHBondContact O-N 3.07Å; V181-T183 PolarHBondContact O-N 3.17Å; T183-K186 PolarHBondContact O-N 2.99Å; T183-E187 WeakPolarHBondContact O-CG 3.46Å; T183-E187 PolarHBondContact O-N 2.87Å; T183-E187 VanDerWaalsContact O-N 3.17Å
184	M	93.5	Very high	90.5	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-73.8	-31.2	-175.4	-62.4	178.1	80.8	0	0	112.5	C126 L130 I154 I180 K186 F191 F211	C126-M184 HydrophobicContact CB-CE 4.13Å; C126-M184 HydrophobicContact CB-CG 4.14Å; C126-M184 HydrophobicContact CB-SD 3.89Å; L130-M184 HydrophobicContact CD1-CE 3.29Å; L130-M184 HydrophobicContact CG-CE 4.12Å; I154-M184 HydrophobicContact CD1-CE 4.45Å; I154-M184 HydrophobicContact CD1-SD 4.48Å; I180-M184 HydrophobicContact CG2-CG 4.34Å; I180-M184 HydrophobicContact CG2-SD 3.52Å; I180-M184 VanDerWaalsContact CG2-SD 3.52Å; I180-M184 WeakPolarHBondContact O-CG 3.12Å; I180-M184 PolarHBondContact O-N 2.85Å; M184-K186 VanDerWaalsContact C-N 3.27Å; M184-K186 PolarHBondContact O-N 3.17Å; M184-F191 HydrophobicContact CB-CB 4.24Å; M184-F191 HydrophobicContact CB-CD2 3.89Å; M184-F191 HydrophobicContact CB-CE2 4.48Å; M184-F191 HydrophobicContact CB-CG 4.12Å; M184-F191 HydrophobicContact CE-CB 4.26Å; M184-F191 HydrophobicContact CE-CD1 3.51Å; M184-F191 HydrophobicContact CE-CD2 4.41Å; M184-F191 HydrophobicContact CE-CE1 3.87Å; M184-F191 HydrophobicContact CE-CG 3.8Å; M184-F191 HydrophobicContact CE-CZ 4.46Å; M184-F191 HydrophobicContact CG-CD2 3.9Å; M184-F191 HydrophobicContact CG-CE2 4.04Å; M184-F191 HydrophobicContact CG-CG 4.17Å; M184-F191 HydrophobicContact CG-CZ 4.45Å; M184-F211 HydrophobicContact CB-CD1 3.53Å; M184-F211 HydrophobicContact CB-CE1 3.55Å; M184-F211 HydrophobicContact CE-CB 3.39Å; M184-F211 HydrophobicContact CE-CD1 3.66Å; M184-F211 HydrophobicContact CE-CG 3.67Å; M184-F211 HydrophobicContact CG-CD1 4.18Å; M184-F211 HydrophobicContact CG-CE1 4.4Å; M184-F211 HydrophobicContact SD-CB 4.15Å; M184-F211 HydrophobicContact SD-CD1 3.61Å; M184-F211 HydrophobicContact SD-CD2 4.35Å; M184-F211 HydrophobicContact SD-CE1 4.1Å; M184-F211 HydrophobicContact SD-CG 3.77Å
185	S	93.1	Very high	91.2	Very high	27 Å²	27	62.9 Å²	62.9	19%	0.189	31%	0.314	C	S	.	.	H	α-helix	trans	-71.3	-19.8	171.9	-67.7	0	0	0	0	113.7	V181 R188	V181-S185 WeakPolarHBondContact O-CB 3.23Å; V181-S185 PolarHBondContact O-N 2.99Å; V181-S185 PolarHBondContact O-OG 3.38Å; S185-R188 WeakPolarHBondContact O-CG 3.33Å; S185-R188 PolarHBondContact O-NE 2.85Å; S185-R188 PolarHBondContact OG-NH2 3.36Å
186	K	94.6	Very high	91.5	Very high	159 Å²	159	64 Å²	64	69%	0.691	31%	0.312	S	S	*	.	H	α-helix	trans	-84.2	-40.6	175.9	-173.1	-172.6	174.7	-158.9	0	111.9	K182 T183 M184 R188	K182-K186 WeakPolarHBondContact O-CB 3.39Å; K182-K186 PolarHBondContact O-N 2.95Å; T183-K186 PolarHBondContact O-N 2.99Å; M184-K186 VanDerWaalsContact C-N 3.27Å; M184-K186 PolarHBondContact O-N 3.17Å; K186-R188 VanDerWaalsContact C-N 3.32Å; K186-R188 PolarHBondContact O-N 2.95Å; K186-R188 VanDerWaalsContact O-N 3.16Å
187	E	91.1	Very high	91.8	Very high	45 Å²	45	64.1 Å²	64.1	21%	0.21	32%	0.316	C	S	.	.			trans	-90.8	63.1	-175.5	-54.9	-71.9	144.7	0	0	110.8	K123 T183 D189 V190 F191	K123-E187 HydrophobicContact CD-CG 3.94Å; K123-E187 WeakPolarHBondContact CD-OE2 3.3Å; K123-E187 WeakPolarHBondContact CE-OE2 3.49Å; K123-E187 HydrophobicContact CG-CG 4.33Å; K123-E187 IonicContact NZ-OE2 2.64Å; K123-E187 PolarHBondContact NZ-OE2 3.05Å; T183-E187 WeakPolarHBondContact O-CG 3.46Å; T183-E187 PolarHBondContact O-N 2.87Å; T183-E187 VanDerWaalsContact O-N 3.17Å; E187-D189 WeakPolarHBondContact CA-OD1 3.46Å; E187-D189 PolarHBondContact O-N 3.16Å; E187-V190 PolarHBondContact O-N 3.26Å; E187-V190 VanDerWaalsContact O-N 3.1Å; E187-F191 HydrophobicContact CB-CD2 3.85Å; E187-F191 HydrophobicContact CB-CE2 3.98Å; E187-F191 WeakPolarHBondContact O-CD2 3.31Å; E187-F191 PolarHBondContact O-N 2.94Å
188	R	89.8	Confident	91.5	Very high	120 Å²	120	67.5 Å²	67.5	45%	0.453	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.4	-176.5	-63.9	-65.6	-177.5	159.7	-4.9	114.1	S185 K186 V193	S185-R188 WeakPolarHBondContact O-CG 3.33Å; S185-R188 PolarHBondContact O-NE 2.85Å; S185-R188 PolarHBondContact OG-NH2 3.36Å; K186-R188 VanDerWaalsContact C-N 3.32Å; K186-R188 PolarHBondContact O-N 2.95Å; K186-R188 VanDerWaalsContact O-N 3.16Å; R188-V193 VanDerWaalsContact NH1-CB 3.3Å
189	D	89.6	Confident	91.2	Very high	107 Å²	107	68.2 Å²	68.2	57%	0.572	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.4	170.8	60.3	-43.2	0	0	0	112.7	E187 L214	E187-D189 WeakPolarHBondContact CA-OD1 3.46Å; E187-D189 PolarHBondContact O-N 3.16Å; D189-L214 WeakPolarHBondContact O-CD2 3.39Å
190	V	90.8	Very high	90.4	Very high	30 Å²	30	68.6 Å²	68.6	18%	0.182	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-36.1	-179.4	-176.7	0	0	0	0	112.2	L127 E187 L214	L127-V190 HydrophobicContact CD1-CG1 3.97Å; E187-V190 PolarHBondContact O-N 3.26Å; E187-V190 VanDerWaalsContact O-N 3.1Å; V190-L214 WeakPolarHBondContact O-CB 3.47Å; V190-L214 PolarHBondContact O-N 2.99Å
191	F	96.3	Very high	89.8	Confident	2 Å²	2	71 Å²	71	1%	0.009	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.8	-171.4	-53.2	-65.4	0	0	0	114.3	K123 C126 L127 L130 M184 E187 G212 L213	K123-F191 HydrophobicContact CG-CE2 4.03Å; K123-F191 HydrophobicContact CG-CZ 4.2Å; C126-F191 HydrophobicContact CB-CE1 4.24Å; C126-F191 HydrophobicContact CB-CZ 3.96Å; L127-F191 HydrophobicContact CB-CE1 4.29Å; L127-F191 HydrophobicContact CB-CZ 4.28Å; L130-F191 HydrophobicContact CD1-CD1 3.65Å; L130-F191 HydrophobicContact CD1-CE1 3.96Å; M184-F191 HydrophobicContact CB-CB 4.24Å; M184-F191 HydrophobicContact CB-CD2 3.89Å; M184-F191 HydrophobicContact CB-CE2 4.48Å; M184-F191 HydrophobicContact CB-CG 4.12Å; M184-F191 HydrophobicContact CE-CB 4.26Å; M184-F191 HydrophobicContact CE-CD1 3.51Å; M184-F191 HydrophobicContact CE-CD2 4.41Å; M184-F191 HydrophobicContact CE-CE1 3.87Å; M184-F191 HydrophobicContact CE-CG 3.8Å; M184-F191 HydrophobicContact CE-CZ 4.46Å; M184-F191 HydrophobicContact CG-CD2 3.9Å; M184-F191 HydrophobicContact CG-CE2 4.04Å; M184-F191 HydrophobicContact CG-CG 4.17Å; M184-F191 HydrophobicContact CG-CZ 4.45Å; E187-F191 HydrophobicContact CB-CD2 3.85Å; E187-F191 HydrophobicContact CB-CE2 3.98Å; E187-F191 WeakPolarHBondContact O-CD2 3.31Å; E187-F191 PolarHBondContact O-N 2.94Å; F191-G212 CarbonylContact C-O 3.57Å; F191-G212 WeakPolarHBondContact CA-O 3.35Å; F191-L213 HydrophobicContact CD1-CD2 4.3Å; F191-L213 HydrophobicContact CE1-CD2 4.29Å
192	L	93.9	Very high	89.2	Confident	67 Å²	67	78.7 Å²	78.7	35%	0.351	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.6	161.2	-63.1	175.9	0	0	0	109.2	M147 F211 G212 L213 L214	M147-L192 HydrophobicContact CE-CB 4.26Å; M147-L192 HydrophobicContact SD-CB 3.9Å; M147-L192 HydrophobicContact SD-CD1 4.36Å; L192-F211 CarbonylContact O-C 3.6Å; L192-F211 VanDerWaalsContact O-CA 3.27Å; L192-F211 WeakPolarHBondContact O-CA 3.12Å; L192-G212 PolarHBondContact N-O 3.22Å; L192-G212 PolarHBondContact O-N 2.9Å; L192-L213 WeakPolarHBondContact CD1-O 3.42Å; L192-L214 HydrophobicContact CD2-CD1 3.6Å; L192-L214 HydrophobicContact CG-CD1 4.31Å
193	V	94.3	Very high	88.6	Confident	26 Å²	26	74.3 Å²	74.3	16%	0.158	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.1	177.8	-171.7	0	0	0	0	109.5	R188 E195 F211	R188-V193 VanDerWaalsContact NH1-CB 3.3Å; V193-E195 HydrophobicContact CG1-CG 4.15Å; V193-F211 HydrophobicContact CB-CD1 4.16Å; V193-F211 HydrophobicContact CB-CE1 4.08Å; V193-F211 HydrophobicContact CG1-CD1 3.9Å; V193-F211 HydrophobicContact CG1-CE1 3.41Å; V193-F211 VanDerWaalsContact CG1-CE1 3.41Å; V193-F211 HydrophobicContact CG1-CZ 3.98Å; V193-F211 HydrophobicContact CG2-CD1 3.74Å; V193-F211 HydrophobicContact CG2-CE1 3.75Å
194	K	92.1	Very high	88.1	Confident	53 Å²	53	75.8 Å²	75.8	23%	0.23	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	112	173.6	-171.7	171.4	-179.8	171.8	0	109.1	M147 H196 D198 Y208 P209 K210	M147-K194 HydrophobicContact CE-CB 3.69Å; K194-H196 VanDerWaalsContact CE-O 3.26Å; K194-H196 WeakPolarHBondContact CE-O 3.3Å; K194-H196 VanDerWaalsContact CG-O 3.29Å; K194-H196 WeakPolarHBondContact CG-O 3.31Å; K194-D198 WeakPolarHBondContact CE-OD1 3.45Å; K194-D198 IonicContact NZ-OD1 2.66Å; K194-D198 PolarHBondContact NZ-OD1 2.61Å; K194-D198 IonicContact NZ-OD2 3.57Å; K194-D198 PolarHBondContact NZ-OD2 3.23Å; K194-Y208 HydrophobicContact CB-CE1 4.42Å; K194-Y208 HydrophobicContact CD-CE1 3.8Å; K194-Y208 HydrophobicContact CG-CD1 4.2Å; K194-Y208 HydrophobicContact CG-CE1 3.75Å; K194-Y208 WeakPolarHBondContact O-CD1 3.34Å; K194-P209 CarbonylContact O-C 3.59Å; K194-P209 WeakPolarHBondContact O-CA 3.45Å; K194-K210 PolarHBondContact N-O 3.41Å; K194-K210 PolarHBondContact O-N 3.01Å
195	E	87.6	Confident	87.8	Confident	105 Å²	105	80.7 Å²	80.7	49%	0.491	43%	0.431	S	S	.	.			trans	-86.4	-24.3	-173.3	-64.9	-176.5	174.9	0	0	113.2	V193 Y208	V193-E195 HydrophobicContact CG1-CG 4.15Å; E195-Y208 WeakPolarHBondContact O-CB 3.42Å
196	H	87.9	Confident	87.4	Confident	118 Å²	118	87.1 Å²	87.1	55%	0.546	46%	0.458	S	S	.	.	S	Bend	trans	-141.9	157.1	-177.6	-65.8	-66.1	0	0	0	111.1	K194 E205 Y208	K194-H196 VanDerWaalsContact CE-O 3.26Å; K194-H196 WeakPolarHBondContact CE-O 3.3Å; K194-H196 VanDerWaalsContact CG-O 3.29Å; K194-H196 WeakPolarHBondContact CG-O 3.31Å; H196-E205 IonicContact CE1-OE1 3.64Å; H196-E205 IonicContact CG-OE1 3.73Å; H196-E205 IonicContact ND1-OE1 2.73Å; H196-E205 PolarHBondContact ND1-OE1 2.67Å; H196-Y208 WeakPolarHBondContact O-CE1 3.41Å
197	P	87.6	Confident	86.9	Confident	28 Å²	28	82 Å²	82	18%	0.182	44%	0.436	C	S	.	.			trans	-61.7	151.9	170.6	22.7	-27.8	0	0	0	112	D203 E205 Y208	P197-D203 HydrophobicContact CB-CB 4.5Å; P197-E205 VanDerWaalsContact CD-CD 3.48Å; P197-E205 WeakPolarHBondContact CD-OE2 3.22Å; P197-E205 WeakPolarHBondContact CG-OE2 3.49Å; P197-Y208 WeakPolarHBondContact CA-OH 3.49Å; P197-Y208 HydrophobicContact CB-CD2 4.31Å; P197-Y208 HydrophobicContact CB-CE2 3.52Å; P197-Y208 HydrophobicContact CG-CD2 4.23Å; P197-Y208 HydrophobicContact CG-CE2 3.92Å
198	D	83.9	Confident	86.8	Confident	92 Å²	92	80.7 Å²	80.7	49%	0.492	43%	0.429	S	S	.	.			trans	-66.6	144.9	174.1	-62.2	-32.2	0	0	0	109.5	K194 G200 S201	K194-D198 WeakPolarHBondContact CE-OD1 3.45Å; K194-D198 IonicContact NZ-OD1 2.66Å; K194-D198 PolarHBondContact NZ-OD1 2.61Å; K194-D198 IonicContact NZ-OD2 3.57Å; K194-D198 PolarHBondContact NZ-OD2 3.23Å; D198-G200 PolarHBondContact O-N 3.46Å; D198-S201 VanDerWaalsContact O-CB 3.23Å; D198-S201 WeakPolarHBondContact O-CB 3.27Å; D198-S201 PolarHBondContact O-N 2.77Å
199	P	81.6	Confident	87	Confident	140 Å²	140	76.2 Å²	76.2	91%	0.909	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	115.5	175.2	-25.7	34.4	0	0	0	111.4
200	G	76.4	Confident	87.2	Confident	85 Å²	85	72.2 Å²	72.2	88%	0.876	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	1.3	-178.1	0	0	0	0	0	115.8	D198	D198-G200 PolarHBondContact O-N 3.46Å
201	S	80.2	Confident	87.5	Confident	50 Å²	50	70.8 Å²	70.8	35%	0.35	38%	0.384	S	S	.	.			trans	-66.8	148.8	170.9	-177.6	0	0	0	0	111.8	D198 D203	D198-S201 VanDerWaalsContact O-CB 3.23Å; D198-S201 WeakPolarHBondContact O-CB 3.27Å; D198-S201 PolarHBondContact O-N 2.77Å; S201-D203 VanDerWaalsContact C-N 3.31Å; S201-D203 WeakPolarHBondContact OG-CB 3.38Å; S201-D203 PolarHBondContact OG-N 3.25Å; S201-D203 VanDerWaalsContact OG-N 3.1Å
202	K	80.4	Confident	87.5	Confident	208 Å²	208	70.7 Å²	70.7	90%	0.904	38%	0.384	S	S	*	.			trans	-86.5	-1.6	170.7	-67.1	-173.7	179.6	179.6	0	112.9
203	D	81.6	Confident	87.6	Confident	67 Å²	67	67.7 Å²	67.7	36%	0.358	37%	0.369	S	S	.	.	S	Bend	trans	-67	130.6	180	-76.6	13	0	0	0	110.6	P197 S201 Y208 K210	P197-D203 HydrophobicContact CB-CB 4.5Å; S201-D203 VanDerWaalsContact C-N 3.31Å; S201-D203 WeakPolarHBondContact OG-CB 3.38Å; S201-D203 PolarHBondContact OG-N 3.25Å; S201-D203 VanDerWaalsContact OG-N 3.1Å; D203-Y208 HydrophobicContact CB-CE2 3.92Å; D203-Y208 PolarHBondContact OD2-OH 2.94Å; D203-K210 IonicContact OD2-NZ 3.88Å; D203-K210 PolarHBondContact OD2-NZ 3.23Å
204	P	84.9	Confident	87.5	Confident	62 Å²	62	70.6 Å²	70.6	40%	0.403	38%	0.383	S	S	.	.			trans	-68.8	139	177.8	21	-23.6	0	0	0	111.6	E206 E207	P204-E206 PolarHBondContact O-N 3.34Å; P204-E206 VanDerWaalsContact O-N 3.13Å; P204-E207 HydrophobicContact CG-CG 3.96Å; P204-E207 PolarHBondContact O-N 2.99Å
205	E	85.6	Confident	87.4	Confident	104 Å²	104	72 Å²	72	49%	0.486	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-54.8	-33.2	179.9	-164.6	69.4	-152.8	0	0	112.5	H196 P197 E207 Y208	H196-E205 IonicContact CE1-OE1 3.64Å; H196-E205 IonicContact CG-OE1 3.73Å; H196-E205 IonicContact ND1-OE1 2.73Å; H196-E205 PolarHBondContact ND1-OE1 2.67Å; P197-E205 VanDerWaalsContact CD-CD 3.48Å; P197-E205 WeakPolarHBondContact CD-OE2 3.22Å; P197-E205 WeakPolarHBondContact CG-OE2 3.49Å; E205-E207 PolarHBondContact O-N 2.89Å; E205-E207 VanDerWaalsContact O-N 3.11Å; E205-Y208 PolarHBondContact O-N 3.36Å; E205-Y208 VanDerWaalsContact O-N 3.07Å
206	E	85.3	Confident	87.6	Confident	162 Å²	162	69.9 Å²	69.9	76%	0.757	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-64.7	-12.6	-179.6	-59	177.3	-177.8	0	0	114.2	P204 Y208	P204-E206 PolarHBondContact O-N 3.34Å; P204-E206 VanDerWaalsContact O-N 3.13Å; E206-Y208 VanDerWaalsContact C-N 3.34Å
207	E	83.8	Confident	87.7	Confident	52 Å²	52	68.7 Å²	68.7	24%	0.243	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-85.4	-9.7	175.1	-70.7	-175.7	-177.7	0	0	113.7	S149 K152 P204 E205 K210	S149-E207 VanDerWaalsContact CB-O 3.27Å; S149-E207 WeakPolarHBondContact CB-O 3.45Å; S149-E207 PolarHBondContact OG-O 2.8Å; K152-E207 HydrophobicContact CD-CG 4.32Å; K152-E207 IonicContact NZ-OE1 2.77Å; K152-E207 PolarHBondContact NZ-OE1 3.15Å; P204-E207 HydrophobicContact CG-CG 3.96Å; P204-E207 PolarHBondContact O-N 2.99Å; E205-E207 PolarHBondContact O-N 2.89Å; E205-E207 VanDerWaalsContact O-N 3.11Å; E207-K210 WeakPolarHBondContact O-CG 3.4Å; E207-K210 WeakPolarHBondContact OE2-CE 3.33Å; E207-K210 IonicContact OE2-NZ 2.94Å; E207-K210 PolarHBondContact OE2-NZ 3.02Å
208	Y	89.9	Confident	87.9	Confident	17 Å²	17	67.5 Å²	67.5	7%	0.067	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-95.6	148.8	-179.3	-66.6	-91.3	0	0	0	111.4	K194 E195 H196 P197 D203 E205 E206 K210	K194-Y208 HydrophobicContact CB-CE1 4.42Å; K194-Y208 HydrophobicContact CD-CE1 3.8Å; K194-Y208 HydrophobicContact CG-CD1 4.2Å; K194-Y208 HydrophobicContact CG-CE1 3.75Å; K194-Y208 WeakPolarHBondContact O-CD1 3.34Å; E195-Y208 WeakPolarHBondContact O-CB 3.42Å; H196-Y208 WeakPolarHBondContact O-CE1 3.41Å; P197-Y208 WeakPolarHBondContact CA-OH 3.49Å; P197-Y208 HydrophobicContact CB-CD2 4.31Å; P197-Y208 HydrophobicContact CB-CE2 3.52Å; P197-Y208 HydrophobicContact CG-CD2 4.23Å; P197-Y208 HydrophobicContact CG-CE2 3.92Å; D203-Y208 HydrophobicContact CB-CE2 3.92Å; D203-Y208 PolarHBondContact OD2-OH 2.94Å; E205-Y208 PolarHBondContact O-N 3.36Å; E205-Y208 VanDerWaalsContact O-N 3.07Å; E206-Y208 VanDerWaalsContact C-N 3.34Å; Y208-K210 HydrophobicContact CD1-CB 4.36Å; Y208-K210 HydrophobicContact CD1-CD 4.45Å; Y208-K210 HydrophobicContact CD1-CG 4.03Å; Y208-K210 HydrophobicContact CE1-CB 4.4Å; Y208-K210 HydrophobicContact CE1-CD 3.97Å; Y208-K210 HydrophobicContact CE1-CG 4.04Å
209	P	93.5	Very high	88.1	Confident	25 Å²	25	64 Å²	64	16%	0.162	36%	0.358	C	S	.	.	S	Bend	cis	-76.9	142.7	5.4	28.8	-33.8	0	0	0	114.3	K150 V181 K194 F211	K150-P209 HydrophobicContact CB-CG 4.33Å; K150-P209 HydrophobicContact CD-CG 4.28Å; K150-P209 PolarHBondContact N-O 3.4Å; V181-P209 HydrophobicContact CG2-CG 4.02Å; K194-P209 CarbonylContact O-C 3.59Å; K194-P209 WeakPolarHBondContact O-CA 3.45Å; P209-F211 HydrophobicContact CB-CE2 3.72Å; P209-F211 HydrophobicContact CB-CZ 3.94Å; P209-F211 HydrophobicContact CG-CE2 3.79Å; P209-F211 HydrophobicContact CG-CZ 4.09Å
210	K	94.3	Very high	88.5	Confident	23 Å²	23	60.5 Å²	60.5	10%	0.1	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.2	172.7	-64.9	-175.3	-178.3	178.9	0	110.7	M147 F148 K194 D203 E207 Y208	M147-K210 HydrophobicContact CB-CB 4.23Å; M147-K210 HydrophobicContact CE-CB 4.33Å; M147-K210 WeakPolarHBondContact CE-O 3.07Å; F148-K210 CarbonylContact O-C 3.48Å; F148-K210 VanDerWaalsContact O-CA 3.24Å; F148-K210 WeakPolarHBondContact O-CA 3.44Å; K194-K210 PolarHBondContact N-O 3.41Å; K194-K210 PolarHBondContact O-N 3.01Å; D203-K210 IonicContact OD2-NZ 3.88Å; D203-K210 PolarHBondContact OD2-NZ 3.23Å; E207-K210 WeakPolarHBondContact O-CG 3.4Å; E207-K210 WeakPolarHBondContact OE2-CE 3.33Å; E207-K210 IonicContact OE2-NZ 2.94Å; E207-K210 PolarHBondContact OE2-NZ 3.02Å; Y208-K210 HydrophobicContact CD1-CB 4.36Å; Y208-K210 HydrophobicContact CD1-CD 4.45Å; Y208-K210 HydrophobicContact CD1-CG 4.03Å; Y208-K210 HydrophobicContact CE1-CB 4.4Å; Y208-K210 HydrophobicContact CE1-CD 3.97Å; Y208-K210 HydrophobicContact CE1-CG 4.04Å
211	F	97	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.6	-179.4	-58	-96.8	0	0	0	111.7	L130 M147 F148 K150 I154 V181 M184 L192 V193 P209	L130-F211 HydrophobicContact CD1-CB 4.35Å; L130-F211 HydrophobicContact CD2-CB 4.45Å; L130-F211 WeakPolarHBondContact CD2-O 3.27Å; M147-F211 CarbonylContact C-O 3.54Å; M147-F211 WeakPolarHBondContact CA-O 3.44Å; F148-F211 PolarHBondContact N-O 3.26Å; F148-F211 PolarHBondContact O-N 2.89Å; K150-F211 HydrophobicContact CB-CD2 4.3Å; K150-F211 HydrophobicContact CB-CE2 3.91Å; I154-F211 HydrophobicContact CD1-CB 3.82Å; I154-F211 HydrophobicContact CD1-CD2 3.86Å; I154-F211 HydrophobicContact CD1-CG 4.14Å; V181-F211 HydrophobicContact CB-CZ 4.37Å; V181-F211 HydrophobicContact CG1-CZ 4.42Å; V181-F211 HydrophobicContact CG2-CZ 4.12Å; M184-F211 HydrophobicContact CB-CD1 3.53Å; M184-F211 HydrophobicContact CB-CE1 3.55Å; M184-F211 HydrophobicContact CE-CB 3.39Å; M184-F211 HydrophobicContact CE-CD1 3.66Å; M184-F211 HydrophobicContact CE-CG 3.67Å; M184-F211 HydrophobicContact CG-CD1 4.18Å; M184-F211 HydrophobicContact CG-CE1 4.4Å; M184-F211 HydrophobicContact SD-CB 4.15Å; M184-F211 HydrophobicContact SD-CD1 3.61Å; M184-F211 HydrophobicContact SD-CD2 4.35Å; M184-F211 HydrophobicContact SD-CE1 4.1Å; M184-F211 HydrophobicContact SD-CG 3.77Å; L192-F211 CarbonylContact O-C 3.6Å; L192-F211 VanDerWaalsContact O-CA 3.27Å; L192-F211 WeakPolarHBondContact O-CA 3.12Å; V193-F211 HydrophobicContact CB-CD1 4.16Å; V193-F211 HydrophobicContact CB-CE1 4.08Å; V193-F211 HydrophobicContact CG1-CD1 3.9Å; V193-F211 HydrophobicContact CG1-CE1 3.41Å; V193-F211 VanDerWaalsContact CG1-CE1 3.41Å; V193-F211 HydrophobicContact CG1-CZ 3.98Å; V193-F211 HydrophobicContact CG2-CD1 3.74Å; V193-F211 HydrophobicContact CG2-CE1 3.75Å; P209-F211 HydrophobicContact CB-CE2 3.72Å; P209-F211 HydrophobicContact CB-CZ 3.94Å; P209-F211 HydrophobicContact CG-CE2 3.79Å; P209-F211 HydrophobicContact CG-CZ 4.09Å
212	G	95.7	Very high	89.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	172.9	176.4	0	0	0	0	0	111.4	T146 M147 F191 L192	T146-G212 VanDerWaalsContact O-CA 3.32Å; T146-G212 WeakPolarHBondContact O-CA 3.27Å; M147-G212 PolarHBondContact SD-N 3.38Å; F191-G212 CarbonylContact C-O 3.57Å; F191-G212 WeakPolarHBondContact CA-O 3.35Å; L192-G212 PolarHBondContact N-O 3.22Å; L192-G212 PolarHBondContact O-N 2.9Å
213	L	95.7	Very high	89.9	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	138.7	172.2	-63	176.1	0	0	0	110.2	L127 L130 A131 F191 L192 D215 Q216 L218 I221	L127-L213 HydrophobicContact CD1-CD2 3.53Å; L130-L213 HydrophobicContact CB-CD1 4.44Å; L130-L213 HydrophobicContact CB-CD2 3.79Å; L130-L213 HydrophobicContact CB-CG 3.89Å; L130-L213 HydrophobicContact CD1-CD2 3.96Å; L130-L213 HydrophobicContact CD1-CG 4.39Å; A131-L213 HydrophobicContact CB-CD1 4.06Å; F191-L213 HydrophobicContact CD1-CD2 4.3Å; F191-L213 HydrophobicContact CE1-CD2 4.29Å; L192-L213 WeakPolarHBondContact CD1-O 3.42Å; L213-D215 VanDerWaalsContact CB-O 3.26Å; L213-D215 WeakPolarHBondContact CB-O 3.23Å; L213-Q216 PolarHBondContact O-NE2 3.47Å; L213-L218 HydrophobicContact CD1-CD2 3.69Å; L213-I221 HydrophobicContact CD1-CD1 3.92Å
214	L	92.9	Very high	90	Very high	87 Å²	87	48.8 Å²	48.8	46%	0.455	28%	0.275	S	S	.	.	S	Bend	trans	-66.6	-48.9	173	-178.3	67.5	0	0	0	110.5	D189 V190 L192	D189-L214 WeakPolarHBondContact O-CD2 3.39Å; V190-L214 WeakPolarHBondContact O-CB 3.47Å; V190-L214 PolarHBondContact O-N 2.99Å; L192-L214 HydrophobicContact CD2-CD1 3.6Å; L192-L214 HydrophobicContact CG-CD1 4.31Å
215	D	90.4	Very high	89.6	Confident	83 Å²	83	47.6 Å²	47.6	44%	0.444	26%	0.263	S	S	.	.			trans	-83.1	125.1	171.5	-167.8	-2.4	0	0	0	110.1	L213 D217 S220	L213-D215 VanDerWaalsContact CB-O 3.26Å; L213-D215 WeakPolarHBondContact CB-O 3.23Å; D215-D217 PolarHBondContact OD1-N 3.06Å; D215-S220 PolarHBondContact OD2-OG 2.94Å
216	Q	90.2	Very high	87.8	Confident	60 Å²	60	50 Å²	50	28%	0.28	28%	0.279	S	S	.	.			trans	-93.1	-10.1	179.4	-68	-65.4	-50.8	0	0	112.1	R138 L213 L218	R138-Q216 PolarHBondContact NH1-O 3.33Å; R138-Q216 PolarHBondContact NH2-O 2.75Å; L213-Q216 PolarHBondContact O-NE2 3.47Å; Q216-L218 PolarHBondContact O-N 3.23Å
217	D	90.7	Very high	85.6	Confident	92 Å²	92	47.1 Å²	47.1	49%	0.492	27%	0.273	S	S	.	.			trans	-79.9	104.7	169.3	-177.3	10.1	0	0	0	109.8	D215 G219 S220	D215-D217 PolarHBondContact OD1-N 3.06Å; D217-G219 PolarHBondContact O-N 3.28Å; D217-G219 PolarHBondContact OD1-N 3.32Å; D217-S220 PolarHBondContact O-N 3.15Å; D217-S220 PolarHBondContact O-OG 2.66Å
218	L	91.7	Very high	83.3	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-72.4	-16	178.7	-57.2	-179	0	0	0	112.2	R65 L67 F96 A131 T134 W135 L213 Q216 S220 I221	R65-L218 PolarHBondContact NH1-O 2.94Å; L67-L218 HydrophobicContact CD1-CB 4.28Å; F96-L218 HydrophobicContact CD1-CB 4.33Å; F96-L218 HydrophobicContact CE1-CB 3.76Å; F96-L218 HydrophobicContact CE1-CD1 4.22Å; F96-L218 HydrophobicContact CZ-CB 4.44Å; F96-L218 HydrophobicContact CZ-CD1 4.09Å; A131-L218 HydrophobicContact CB-CD2 4.32Å; T134-L218 HydrophobicContact CG2-CD1 4.47Å; T134-L218 HydrophobicContact CG2-CD2 4.42Å; W135-L218 HydrophobicContact CB-CD1 3.69Å; W135-L218 HydrophobicContact CG-CD1 4.41Å; L213-L218 HydrophobicContact CD1-CD2 3.69Å; Q216-L218 PolarHBondContact O-N 3.23Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.11Å; L218-I221 HydrophobicContact CB-CD1 4.39Å; L218-I221 HydrophobicContact CD2-CD1 3.73Å; L218-I221 WeakPolarHBondContact O-CB 3.22Å; L218-I221 PolarHBondContact O-N 2.96Å
219	G	89.3	Confident	80.4	Confident	19 Å²	19	61.3 Å²	61.3	20%	0.196	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-69.7	-25.9	178.2	0	0	0	0	0	113.3	R65 D217 I221	R65-G219 WeakPolarHBondContact CD-O 2.93Å; R65-G219 PolarHBondContact NH1-O 3.28Å; D217-G219 PolarHBondContact O-N 3.28Å; D217-G219 PolarHBondContact OD1-N 3.32Å; G219-I221 VanDerWaalsContact C-N 3.26Å; G219-I221 PolarHBondContact O-N 2.99Å
220	S	88.3	Confident	77.6	Confident	67 Å²	67	69.4 Å²	69.4	47%	0.469	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-73.8	-16.5	176.3	75.6	0	0	0	0	113.1	D215 D217 L218 G222	D215-S220 PolarHBondContact OD2-OG 2.94Å; D217-S220 PolarHBondContact O-N 3.15Å; D217-S220 PolarHBondContact O-OG 2.66Å; L218-S220 VanDerWaalsContact C-N 3.29Å; L218-S220 PolarHBondContact O-N 3.11Å; S220-G222 PolarHBondContact O-N 2.89Å; S220-G222 VanDerWaalsContact O-N 3.17Å
221	I	90.6	Very high	74.2	Confident	17 Å²	17	74.8 Å²	74.8	9%	0.087	41%	0.408	C	S	.	.			trans	-73.2	110.6	-177.4	-57.8	177.7	0	0	0	109.7	R65 W80 F96 T98 L127 A131 L213 L218 G219	R65-I221 PolarHBondContact NH1-O 2.96Å; W80-I221 VanDerWaalsContact CH2-O 3.25Å; W80-I221 WeakPolarHBondContact CH2-O 3.17Å; F96-I221 HydrophobicContact CB-CG2 4.44Å; T98-I221 HydrophobicContact CG2-CG2 3.79Å; L127-I221 HydrophobicContact CD1-CD1 4.45Å; L127-I221 HydrophobicContact CD2-CG2 4.46Å; A131-I221 HydrophobicContact CB-CD1 3.64Å; L213-I221 HydrophobicContact CD1-CD1 3.92Å; L218-I221 HydrophobicContact CB-CD1 4.39Å; L218-I221 HydrophobicContact CD2-CD1 3.73Å; L218-I221 WeakPolarHBondContact O-CB 3.22Å; L218-I221 PolarHBondContact O-N 2.96Å; G219-I221 VanDerWaalsContact C-N 3.26Å; G219-I221 PolarHBondContact O-N 2.99Å
222	G	88.8	Confident	71	Confident	24 Å²	24	81.7 Å²	81.7	25%	0.247	45%	0.45	C	S	.	.			trans	-149.2	170.7	175.5	0	0	0	0	0	113.3	T98 S220	T98-G222 WeakPolarHBondContact CG2-O 3.38Å; S220-G222 PolarHBondContact O-N 2.89Å; S220-G222 VanDerWaalsContact O-N 3.17Å
223	P	88.8	Confident	67.6	Low	11 Å²	11	85 Å²	85	7%	0.071	48%	0.484	C	S	.	.			trans	-59.7	135.9	172.6	24.4	-33.2	0	0	0	111.2	Q73 T98 Y100 Y225	Q73-P223 HydrophobicContact CB-CG 4.19Å; T98-P223 WeakPolarHBondContact O-CB 3.39Å; Y100-P223 HydrophobicContact CE2-CG 4.02Å; Y100-P223 WeakPolarHBondContact OH-CD 3.38Å; P223-Y225 HydrophobicContact CB-CE1 4.03Å; P223-Y225 HydrophobicContact CB-CE2 4.02Å; P223-Y225 HydrophobicContact CG-CD2 4.17Å; P223-Y225 HydrophobicContact CG-CE1 4.21Å; P223-Y225 HydrophobicContact CG-CE2 3.38Å; P223-Y225 VanDerWaalsContact CG-OH 3.31Å; P223-Y225 WeakPolarHBondContact CG-OH 3.36Å; P223-Y225 PolarHBondContact O-N 3.45Å
224	S	82.6	Confident	64.3	Low	112 Å²	112	91.7 Å²	91.7	78%	0.783	53%	0.525	S	S	*	.			trans	-78.2	91.3	172.2	-174	0	0	0	0	109.5	D226	S224-D226 PolarHBondContact O-N 2.92Å
225	Y	75.9	Confident	61.2	Low	37 Å²	37	93.6 Å²	93.6	15%	0.145	54%	0.543	C	S	.	.			trans	-78.5	107.9	166	-60.7	-53.6	0	0	0	108.1	Q73 A75 M78 V101 P223 T227	Q73-Y225 PolarHBondContact O-OH 3.16Å; A75-Y225 HydrophobicContact CB-CD1 3.62Å; A75-Y225 HydrophobicContact CB-CD2 3.95Å; A75-Y225 HydrophobicContact CB-CE1 3.41Å; A75-Y225 VanDerWaalsContact CB-CE1 3.41Å; A75-Y225 HydrophobicContact CB-CE2 3.7Å; A75-Y225 HydrophobicContact CB-CG 3.91Å; A75-Y225 VanDerWaalsContact CB-CZ 3.45Å; M78-Y225 HydrophobicContact CE-CD2 4.22Å; M78-Y225 HydrophobicContact SD-CD2 3.9Å; V101-Y225 HydrophobicContact CG1-CE1 4.5Å; P223-Y225 HydrophobicContact CB-CE1 4.03Å; P223-Y225 HydrophobicContact CB-CE2 4.02Å; P223-Y225 HydrophobicContact CG-CD2 4.17Å; P223-Y225 HydrophobicContact CG-CE1 4.21Å; P223-Y225 HydrophobicContact CG-CE2 3.38Å; P223-Y225 VanDerWaalsContact CG-OH 3.31Å; P223-Y225 WeakPolarHBondContact CG-OH 3.36Å; P223-Y225 PolarHBondContact O-N 3.45Å; Y225-T227 PolarHBondContact O-N 2.83Å; Y225-T227 PolarHBondContact O-OG1 3.41Å
226	D	48.1	Very low	58	Low	153 Å²	153	94.5 Å²	94.5	82%	0.818	56%	0.562	S	S	*	*			trans	-55.4	104	173.7	-92.9	-32.2	0	0	0	108.1	S224 Q228	S224-D226 PolarHBondContact O-N 2.92Å; D226-Q228 VanDerWaalsContact C-N 3.32Å; D226-Q228 PolarHBondContact O-N 2.85Å
227	T	38.6	Very low	55	Low	102 Å²	102	96.7 Å²	96.7	63%	0.626	59%	0.59	S	S	*	*			trans	-79.3	92.9	176.1	-26.4	0	0	0	0	104.6	Y225 K229	Y225-T227 PolarHBondContact O-N 2.83Å; Y225-T227 PolarHBondContact O-OG1 3.41Å; T227-K229 HydrophobicContact CG2-CG 4.37Å; T227-K229 PolarHBondContact O-N 2.98Å
228	Q	35.8	Very low	51.8	Low	193 Å²	193	96.2 Å²	96.2	90%	0.902	61%	0.607	S	S	*	*			trans	-66	76.2	166.9	-83.3	-174.5	3.7	0	0	108.8	D226	D226-Q228 VanDerWaalsContact C-N 3.32Å; D226-Q228 PolarHBondContact O-N 2.85Å
229	K	29.9	Very low	48.6	Very low	175 Å²	175	99.1 Å²	99.1	76%	0.761	64%	0.638	S	S	*	*			trans	-76.3	120.7	154.1	-77.3	-175.9	176.9	178.3	0	106.5	T227 T231	T227-K229 HydrophobicContact CG2-CG 4.37Å; T227-K229 PolarHBondContact O-N 2.98Å; K229-T231 PolarHBondContact O-N 2.88Å
230	Q	35	Very low	45.5	Very low	195 Å²	195	105.9 Å²	105.9	91%	0.911	67%	0.669	S	S	*	*			trans	-33.5	123.4	167.7	-73.4	170.5	-9.5	0	0	111.7
231	T	22.9	Very low	42.5	Very low	135 Å²	135	109.4 Å²	109.4	83%	0.828	68%	0.682	S	S	*	*			trans	-145.5	116.9	152	-0	0	0	0	0	109.1	K229 G233	K229-T231 PolarHBondContact O-N 2.88Å; T231-G233 PolarHBondContact O-N 3.42Å
232	T	29.8	Very low	39.3	Very low	146 Å²	146	112.5 Å²	112.5	90%	0.896	72%	0.718	S	S	*	*			trans	-56.9	121.5	172.9	45.6	0	0	0	0	110.9
233	G	23.4	Very low	36.1	Very low	69 Å²	69	114.8 Å²	114.8	71%	0.711	74%	0.742	S	S	*	*			trans	-176.6	89.6	172.7	0	0	0	0	0	111.8	T231	T231-G233 PolarHBondContact O-N 3.42Å
234	T	27	Very low	33	Very low	146 Å²	146	120.2 Å²	120.2	90%	0.896	78%	0.78	S	S	*	*			trans	-54.5	146	165	39.6	0	0	0	0	111.6
235	P	27.8	Very low	30.2	Very low	127 Å²	127	120 Å²	120	83%	0.825	78%	0.779	S	S	*	*			trans	-123.3	149	132.4	13.6	6	0	0	0	112.5
236	A	23.1	Very low	27.7	Very low	101 Å²	101	127.6 Å²	127.6	84%	0.835	81%	0.813	S	S	*	*			trans	-72.3	162.9	-168	0	0	0	0	0	114.5
237	A	26.9	Very low	26.6	Very low	106 Å²	106	126 Å²	126	88%	0.876	81%	0.814	S	S	*	*			trans	-61.5	155.9	176.8	0	0	0	0	0	115.3
238	G	23.7	Very low	25.8	Very low	83 Å²	83	124.6 Å²	124.6	86%	0.856	82%	0.82	S	S	*	*			trans	175.6	115.1	152.1	0	0	0	0	0	107.8
239	G	23.8	Very low	25.1	Very low	64 Å²	64	120.2 Å²	120.2	66%	0.66	82%	0.817	S	S	*	*			cis	148.2	124.7	7	0	0	0	0	0	107.7
240	L	25	Very low	24.8	Very low	160 Å²	160	120.3 Å²	120.3	84%	0.838	83%	0.825	S	S	*	*			trans	70.6	146.1	145.2	-53.9	170.5	0	0	0	117.3
241	N	25.2	Very low	24.3	Very low	141 Å²	141	115.4 Å²	115.4	75%	0.754	82%	0.818	S	S	*	*			cis	-167.6	144	4.8	-111.4	-19.1	0	0	0	106.9
242	G	23.1	Very low	24.6	Very low	82 Å²	82	115.3 Å²	115.3	85%	0.845	82%	0.819	S	S	*	*				92.7	126.4	96	0	0	0	0	0	110.7
243	G	21.9	Very low	24.5	Very low	73 Å²	73	111.9 Å²	111.9	75%	0.753	81%	0.813	S	S	*	*			cis	128.3	136.1	26	0	0	0	0	0	107.4
244	S	23.1	Very low	25.2	Very low	124 Å²	124	115.2 Å²	115.2	87%	0.867	82%	0.822	S	S	*	*			trans	178.2	99.5	155.6	-77.8	0	0	0	0	114.4
245	S	25.1	Very low	25.1	Very low	109 Å²	109	111.8 Å²	111.8	76%	0.762	82%	0.815	S	S	*	*				28.9	126.4	123.2	-56.4	0	0	0	0	126.2
246	F	23.2	Very low	25.1	Very low	195 Å²	195	115.8 Å²	115.8	86%	0.855	82%	0.82	S	S	*	*				90.1	133.2	120.5	-94.1	-89.8	0	0	0	126.9
247	S	23.9	Very low	25.3	Very low	120 Å²	120	114.9 Å²	114.9	84%	0.839	82%	0.821	S	S	*	*			trans	76.2	143	149.7	72.5	0	0	0	0	119.4
248	G	22.1	Very low	25.3	Very low	73 Å²	73	121.7 Å²	121.7	75%	0.753	82%	0.824	S	S	*	*			cis	174.6	140.4	-3.9	0	0	0	0	0	111.3
249	A	22.3	Very low	25.6	Very low	101 Å²	101	121.1 Å²	121.1	84%	0.835	82%	0.818	S	S	*	*			trans	68	142.2	148	0	0	0	0	0	125.9
250	L	22.8	Very low	25.9	Very low	176 Å²	176	123.1 Å²	123.1	92%	0.921	83%	0.829	S	S	*	*			trans	97.6	122.7	153.3	-60.3	173.3	0	0	0	121.1
251	A	25	Very low	25.9	Very low	93 Å²	93	125.8 Å²	125.8	77%	0.769	83%	0.833	S	S	*	*			trans	-84	159.6	169.6	0	0	0	0	0	111.7
252	P	28.5	Very low	26.2	Very low	133 Å²	133	129.9 Å²	129.9	86%	0.864	84%	0.838	S	S	*	*				-143.4	161.8	88.9	32	-12.5	0	0	0	114.8
253	G	26.7	Very low	26.3	Very low	73 Å²	73	136.1 Å²	136.1	75%	0.753	84%	0.842	S	S	*	*			trans	-83.6	-157.3	177	0	0	0	0	0	114.2
254	P	38.1	Very low	26.5	Very low	139 Å²	139	140.4 Å²	140.4	90%	0.903	84%	0.842	S	S	*	*			cis	-110.3	137.2	-34.8	34.5	-20.5	0	0	0	110.6
255	G	25	Very low	26.7	Very low	74 Å²	74	143.7 Å²	143.7	76%	0.763	84%	0.844	S	S	*	*			trans	-158.1	127.4	-178.3	0	0	0	0	0	113.3	G257	G255-G257 PolarHBondContact O-N 2.94Å
256	K	29.3	Very low	26.7	Very low	211 Å²	211	147.4 Å²	147.4	92%	0.917	85%	0.849	S	S	*	*			trans	-31.6	121.4	173.6	-77.9	167.7	169.6	174.3	0	113.1	R258	K256-R258 PolarHBondContact O-N 2.86Å
257	G	27.1	Very low	27	Very low	83 Å²	83	147.4 Å²	147.4	86%	0.856	85%	0.852	S	S	*	*			trans	-56.7	121.7	179.4	0	0	0	0	0	112.4	G255	G255-G257 PolarHBondContact O-N 2.94Å
258	R	27	Very low	27.1	Very low	248 Å²	248	150.3 Å²	150.3	94%	0.936	85%	0.852	S	S	*	*			trans	-86.7	113.7	170	-79	179.5	168.2	175.1	-2.6	108.6	K256	K256-R258 PolarHBondContact O-N 2.86Å
259	G	29.1	Very low	27.4	Very low	72 Å²	72	156.3 Å²	156.3	74%	0.742	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-61.2	153.6	172.9	0	0	0	0	0	113.2	K261	G259-K261 PolarHBondContact O-N 3.35Å
260	A	29.8	Very low	27.4	Very low	106 Å²	106	161 Å²	161	88%	0.876	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-60.4	127.2	-179.6	0	0	0	0	0	112.1	R262	A260-R262 PolarHBondContact O-N 2.8Å
261	K	25.3	Very low	27.6	Very low	215 Å²	215	156.4 Å²	156.4	94%	0.935	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-66.7	123.4	170.9	-88.2	-179.3	172.7	179.2	0	110.4	G259	G259-K261 PolarHBondContact O-N 3.35Å
262	R	31.9	Very low	27.6	Very low	228 Å²	228	158.3 Å²	158.3	86%	0.86	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-72.3	126.4	170.2	-148.8	175.7	-169.4	-179.7	3.2	109.4	A260	A260-R262 PolarHBondContact O-N 2.8Å
263	K	24.4	Very low	27.4	Very low	212 Å²	212	159 Å²	159	92%	0.922	86%	0.864	S	S	*	*			trans	-98.9	101.9	167.2	-160.2	176.8	-175.6	-179	0	107.5
264	Q	27.3	Very low	27.5	Very low	163 Å²	163	160.7 Å²	160.7	76%	0.762	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-97.3	119.6	176	-157.1	172.5	9.8	0	0	107.5	Q266	Q264-Q266 PolarHBondContact O-N 3.29Å
265	Q	26.3	Very low	26.8	Very low	194 Å²	194	157.7 Å²	157.7	91%	0.907	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-71	119.3	170.4	-87.1	172.1	-18.4	0	0	108.7
266	Q	26.5	Very low	27.1	Very low	186 Å²	186	158.9 Å²	158.9	87%	0.869	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-82.4	128.9	161.2	-91.9	174.1	-9.1	0	0	108.6	Q264	Q264-Q266 PolarHBondContact O-N 3.29Å
267	Q	28.1	Very low	27	Very low	196 Å²	196	155 Å²	155	92%	0.916	86%	0.863	S	S	*	*			trans	-130.6	120.1	151.1	-121.1	174	19.1	0	0	107.8
268	Q	27.1	Very low	27.7	Very low	181 Å²	181	161 Å²	161	85%	0.846	87%	0.865	S	S	*	*			trans	-70	139.7	174.5	-77	165.3	-23.6	0	0	110.4
269	Q	28.1	Very low	27.7	Very low	198 Å²	198	160.2 Å²	160.2	93%	0.925	86%	0.862	S	S	*	*			trans	-150.3	121	142	-120.1	171.9	19.5	0	0	109.3
270	E	22.7	Very low	27.5	Very low	201 Å²	201	163.3 Å²	163.3	94%	0.939	87%	0.866	S	S	*	*			trans	-74.7	147.4	174	-68.9	176.8	141.2	0	0	110.9
271	G	25.5	Very low	27.5	Very low	78 Å²	78	169.8 Å²	169.8	80%	0.804	87%	0.868	S	S	*	*			trans	169.2	91.1	172.7	0	0	0	0	0	112.2
272	T	25.4	Very low	27.6	Very low	134 Å²	134	164.1 Å²	164.1	82%	0.822	86%	0.856	S	S	*	*			trans	-64.5	136.3	177.3	41.8	0	0	0	0	114
273	T	25.6	Very low	27.4	Very low	147 Å²	147	158.2 Å²	158.2	90%	0.902	84%	0.841	S	S	*	*				-175.2	143.9	127.1	23.5	0	0	0	0	111.2
274	A	27.6	Very low	27.8	Very low	109 Å²	109	152.7 Å²	152.7	90%	0.901	83%	0.827	S	S	*	*			trans	-73.2	153.5	-170.8	0	0	0	0	0	114.1
275	G	24	Very low	28.2	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	81%	0.808	S	S	*	*			trans	172.9	100.1	167	0	0	0	0	0	112.3
276	A	30.4	Very low	28.8	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	78%	0.776	S	S	*	*			trans	-60.3	134.8	174.3	0	0	0	0	0	111.8
277	T	27.6	Very low	29.4	Very low	131 Å²	131	137 Å²	137	80%	0.804	77%	0.765	S	S	*	*			trans	-169.5	119.7	138.7	14	0	0	0	0	109.2	R279	T277-R279 PolarHBondContact O-N 2.85Å
278	K	40.9	Very low	30.2	Very low	209 Å²	209	130.2 Å²	130.2	91%	0.909	74%	0.742	S	S	*	*			trans	-52.6	117.7	165.3	-82.7	175.9	171.1	178.8	0	108.8
279	R	27.7	Very low	31.3	Very low	231 Å²	231	126.9 Å²	126.9	87%	0.872	73%	0.727	S	S	*	*			trans	-131.5	106.8	152.3	-75.5	-167.8	176	-173.5	-1.1	107.9	T277 R281	T277-R279 PolarHBondContact O-N 2.85Å; R279-R281 PolarHBondContact O-N 2.89Å
280	T	26.3	Very low	32.6	Very low	136 Å²	136	128.1 Å²	128.1	83%	0.834	72%	0.723	S	S	*	*			trans	-48.4	112.7	171.5	-16.9	0	0	0	0	108.3	S282	T280-S282 PolarHBondContact O-N 2.85Å
281	R	29.6	Very low	34.4	Very low	242 Å²	242	121.1 Å²	121.1	91%	0.913	69%	0.692	S	S	*	*			trans	-82.8	92.4	174.9	-162.9	-178	-167.6	173.9	3.4	105.5	R279 D283	R279-R281 PolarHBondContact O-N 2.89Å; R281-D283 PolarHBondContact O-N 3.06Å
282	S	26.5	Very low	35.9	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	66%	0.662	S	S	*	*			trans	-61.3	101.7	174.3	53.6	0	0	0	0	109	T280	T280-S282 PolarHBondContact O-N 2.85Å
283	D	27	Very low	37	Very low	103 Å²	103	115.9 Å²	115.9	55%	0.551	65%	0.646	S	S	*	*			trans	-80.1	125.7	166	-163.6	-18.4	0	0	0	106.5	R281 L285	R281-D283 PolarHBondContact O-N 3.06Å; D283-L285 HydrophobicContact CB-CD1 4.15Å; D283-L285 PolarHBondContact O-N 2.88Å
284	P	33.7	Very low	38.6	Very low	96 Å²	96	111.1 Å²	111.1	62%	0.623	61%	0.613	S	S	*	*			trans	-77.1	59.2	-171	32.7	-37.9	0	0	0	111.7	F286	P284-F286 VanDerWaalsContact C-N 3.34Å; P284-F286 PolarHBondContact O-N 2.67Å
285	L	35.3	Very low	40.2	Very low	71 Å²	71	106.7 Å²	106.7	37%	0.372	58%	0.578	S	S	.	*			trans	-76.1	-19	-172.8	-88.4	156.7	0	0	0	113.6	D283 K479	D283-L285 HydrophobicContact CB-CD1 4.15Å; D283-L285 PolarHBondContact O-N 2.88Å; L285-K479 HydrophobicContact CD2-CD 4.41Å; L285-K479 PolarHBondContact O-NZ 3.12Å
286	F	39.6	Very low	42.7	Very low	52 Å²	52	103.2 Å²	103.2	23%	0.228	54%	0.542	C	S	.	.	S	Bend	trans	-132.9	-0.1	-163	-78.8	-83.1	0	0	0	118.4	P284 A288 W329 Y339	P284-F286 VanDerWaalsContact C-N 3.34Å; P284-F286 PolarHBondContact O-N 2.67Å; F286-A288 PolarHBondContact O-N 2.79Å; F286-A288 VanDerWaalsContact O-N 3.07Å; F286-W329 AromaticContact CZ-CD1 3.51Å; F286-W329 HydrophobicContact CZ-CG 4.37Å; F286-Y339 WeakPolarHBondContact CD1-OH 3.32Å; F286-Y339 WeakPolarHBondContact CE1-OH 3.34Å
287	S	39.5	Very low	45	Very low	91 Å²	91	98.5 Å²	98.5	64%	0.636	50%	0.503	S	S	*	.			trans	-76.5	96.4	157.3	59.6	0	0	0	0	106.8	Q289	S287-Q289 VanDerWaalsContact C-N 3.35Å; S287-Q289 PolarHBondContact O-N 2.65Å
288	A	44.1	Very low	47.3	Very low	53 Å²	53	98.9 Å²	98.9	44%	0.438	50%	0.499	S	S	.	.			trans	-48.5	111	160.6	0	0	0	0	0	105.7	F286 R290	F286-A288 PolarHBondContact O-N 2.79Å; F286-A288 VanDerWaalsContact O-N 3.07Å; A288-R290 PolarHBondContact O-N 3.05Å; A288-R290 VanDerWaalsContact O-N 3.11Å
289	Q	50.7	Low	49.2	Very low	112 Å²	112	94.4 Å²	94.4	52%	0.523	48%	0.482	S	S	.	.			trans	-57.7	125.4	-174.2	-164	169.5	-8.6	0	0	105.8	S287 L291 S482 Y483	S287-Q289 VanDerWaalsContact C-N 3.35Å; S287-Q289 PolarHBondContact O-N 2.65Å; Q289-L291 PolarHBondContact O-N 2.98Å; Q289-L291 VanDerWaalsContact O-N 3.1Å; Q289-S482 VanDerWaalsContact OE1-CB 3.27Å; Q289-S482 PolarHBondContact OE1-OG 2.96Å; Q289-Y483 WeakPolarHBondContact O-CE1 2.94Å; Q289-Y483 PolarHBondContact O-OH 2.94Å
290	R	55.8	Low	52	Low	223 Å²	223	84.1 Å²	84.1	84%	0.842	44%	0.443	S	S	*	.			trans	-42.5	124.8	-176	-176.9	176.9	179.6	176.9	0.4	108.9	A288	A288-R290 PolarHBondContact O-N 3.05Å; A288-R290 VanDerWaalsContact O-N 3.11Å
291	L	59.1	Low	55	Low	54 Å²	54	78.3 Å²	78.3	28%	0.283	41%	0.408	S	S	.	.			trans	-51.6	139.4	-175.7	-75.7	165.1	0	0	0	109.2	Q289 G295 P297 L311 C342 Y483	Q289-L291 PolarHBondContact O-N 2.98Å; Q289-L291 VanDerWaalsContact O-N 3.1Å; L291-G295 WeakPolarHBondContact CD1-O 3.25Å; L291-P297 HydrophobicContact CD2-CG 3.86Å; L291-L311 HydrophobicContact CD1-CD2 4.27Å; L291-L311 HydrophobicContact CD2-CD2 3.77Å; L291-C342 VanDerWaalsContact CD1-SG 3.55Å; L291-Y483 HydrophobicContact CD2-CD1 3.97Å; L291-Y483 HydrophobicContact CD2-CE1 3.56Å; L291-Y483 HydrophobicContact CG-CE1 4.32Å
292	P	58	Low	57.7	Low	28 Å²	28	69.3 Å²	69.3	18%	0.182	38%	0.376	C	S	.	.			trans	-65.7	157.4	-179.9	-6.8	22.1	0	0	0	109.2	H294 G295 Y296 Y483	P292-H294 VanDerWaalsContact C-N 3.27Å; P292-H294 VanDerWaalsContact CB-CE1 3.47Å; P292-H294 WeakPolarHBondContact CB-CE1 3.46Å; P292-H294 PolarHBondContact O-N 2.82Å; P292-H294 PolarHBondContact O-ND1 2.91Å; P292-G295 WeakPolarHBondContact O-CA 3.36Å; P292-G295 PolarHBondContact O-N 3.15Å; P292-Y296 VanDerWaalsContact CD-O 3.31Å; P292-Y296 WeakPolarHBondContact CD-O 3.34Å; P292-Y296 WeakPolarHBondContact CG-O 3.31Å; P292-Y483 WeakPolarHBondContact CD-OH 3.35Å
293	P	47.4	Very low	60.5	Low	74 Å²	74	65.8 Å²	65.8	48%	0.481	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-39.5	-168.6	-32.6	35	0	0	0	117.3	Y114 L116 G295	Y114-P293 HydrophobicContact CD2-CB 4.49Å; Y114-P293 HydrophobicContact CE2-CB 3.44Å; Y114-P293 VanDerWaalsContact CE2-CB 3.44Å; Y114-P293 HydrophobicContact CE2-CG 3.6Å; Y114-P293 VanDerWaalsContact OH-CB 3.32Å; Y114-P293 WeakPolarHBondContact OH-CB 3.31Å; Y114-P293 WeakPolarHBondContact OH-CG 3.24Å; L116-P293 HydrophobicContact CD2-CG 3.67Å; P293-G295 PolarHBondContact O-N 3.28Å
294	H	59.1	Low	63	Low	48 Å²	48	66.8 Å²	66.8	22%	0.222	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	8.5	174.7	63.6	-20.4	0	0	0	115.1	P292 Y296 L298 R364	P292-H294 VanDerWaalsContact C-N 3.27Å; P292-H294 VanDerWaalsContact CB-CE1 3.47Å; P292-H294 WeakPolarHBondContact CB-CE1 3.46Å; P292-H294 PolarHBondContact O-N 2.82Å; P292-H294 PolarHBondContact O-ND1 2.91Å; H294-Y296 VanDerWaalsContact C-N 3.31Å; H294-Y296 PolarHBondContact CE1-O 2.84Å; H294-Y296 PolarHBondContact ND1-O 3.1Å; H294-Y296 PolarHBondContact NE2-O 2.9Å; H294-Y296 PolarHBondContact O-N 2.86Å; H294-L298 WeakPolarHBondContact NE2-CD2 3.43Å; H294-R364 WeakPolarHBondContact O-CD 3.35Å; H294-R364 PolarHBondContact O-NH1 3.12Å
295	G	62.8	Low	65.3	Low	16 Å²	16	68.5 Å²	68.5	17%	0.165	35%	0.353	C	S	.	.	S	Bend	trans	81.5	-13.6	174.3	0	0	0	0	0	115.6	L291 P292 P293 Y344	L291-G295 WeakPolarHBondContact CD1-O 3.25Å; P292-G295 WeakPolarHBondContact O-CA 3.36Å; P292-G295 PolarHBondContact O-N 3.15Å; P293-G295 PolarHBondContact O-N 3.28Å; G295-Y344 WeakPolarHBondContact O-CE1 3.43Å; G295-Y344 VanDerWaalsContact O-CZ 3.25Å; G295-Y344 PolarHBondContact O-OH 3.4Å
296	Y	76	Confident	67.6	Low	1 Å²	1	66.5 Å²	66.5	0%	0.004	35%	0.349	C	S	.	.	S	Bend	trans	-127.8	153.9	-173.3	-149.5	-88	0	0	0	111.7	P292 H294 L298 H300 L311 Y344 L351 H352	P292-Y296 VanDerWaalsContact CD-O 3.31Å; P292-Y296 WeakPolarHBondContact CD-O 3.34Å; P292-Y296 WeakPolarHBondContact CG-O 3.31Å; H294-Y296 VanDerWaalsContact C-N 3.31Å; H294-Y296 PolarHBondContact CE1-O 2.84Å; H294-Y296 PolarHBondContact ND1-O 3.1Å; H294-Y296 PolarHBondContact NE2-O 2.9Å; H294-Y296 PolarHBondContact O-N 2.86Å; Y296-L298 PolarHBondContact O-N 3.43Å; Y296-H300 HydrophobicContact CD1-CB 4.25Å; Y296-H300 AromaticContact CD1-CG 3.99Å; Y296-H300 AromaticContact CD1-ND1 3.79Å; Y296-H300 HydrophobicContact CE1-CB 3.64Å; Y296-H300 AromaticContact CE1-CG 3.61Å; Y296-H300 AromaticContact CE1-ND1 3.91Å; Y296-L311 HydrophobicContact CD2-CD2 4.19Å; Y296-L311 HydrophobicContact CE2-CB 4.02Å; Y296-L311 HydrophobicContact CE2-CD2 3.93Å; Y296-Y344 HydrophobicContact CD2-CE2 4.05Å; Y296-Y344 AromaticContact CD2-CZ 3.88Å; Y296-Y344 WeakPolarHBondContact CD2-OH 3.43Å; Y296-Y344 HydrophobicContact CE2-CE2 4.45Å; Y296-L351 VanDerWaalsContact CB-CD1 3.46Å; Y296-L351 HydrophobicContact CD1-CB 3.88Å; Y296-L351 HydrophobicContact CD1-CD1 4.49Å; Y296-L351 HydrophobicContact CG-CB 3.93Å; Y296-L351 HydrophobicContact CG-CD1 4.13Å; Y296-H352 HydrophobicContact CE1-CB 3.94Å; Y296-H352 HydrophobicContact CE2-CB 4.41Å; Y296-H352 AromaticContact CE2-CE1 3.93Å; Y296-H352 AromaticContact CE2-ND1 3.15Å; Y296-H352 WeakPolarHBondContact CE2-ND1 3.28Å; Y296-H352 AromaticContact CZ-CG 3.69Å; Y296-H352 AromaticContact CZ-ND1 3.27Å; Y296-H352 VanDerWaalsContact CZ-ND1 3.27Å; Y296-H352 WeakPolarHBondContact OH-CB 3.27Å; Y296-H352 PolarHBondContact OH-ND1 2.79Å; Y296-H352 VanDerWaalsContact OH-ND1 3.16Å
297	P	79.4	Confident	70	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	35%	0.352	C	S	.	.			trans	-63.7	132	172.9	-28.5	40.2	0	0	0	112.9	L291 E299 H300 L311 Y483 Y485	L291-P297 HydrophobicContact CD2-CG 3.86Å; P297-E299 PolarHBondContact O-N 2.94Å; P297-H300 PolarHBondContact O-ND1 3.21Å; P297-L311 HydrophobicContact CG-CD1 3.96Å; P297-L311 HydrophobicContact CG-CD2 4.49Å; P297-Y483 HydrophobicContact CB-CD2 3.65Å; P297-Y483 HydrophobicContact CB-CE2 3.68Å; P297-Y483 HydrophobicContact CB-CG 4.13Å; P297-Y483 HydrophobicContact CG-CD1 3.61Å; P297-Y483 HydrophobicContact CG-CD2 3.53Å; P297-Y483 HydrophobicContact CG-CE1 3.78Å; P297-Y483 HydrophobicContact CG-CE2 3.73Å; P297-Y483 HydrophobicContact CG-CG 3.48Å; P297-Y483 VanDerWaalsContact CG-CG 3.48Å; P297-Y485 WeakPolarHBondContact CG-OH 3.32Å
298	L	74.9	Confident	72.4	Confident	138 Å²	138	65.3 Å²	65.3	72%	0.723	33%	0.33	S	S	*	.	S	Bend	trans	-56.9	-38.6	177.2	-77.4	170.2	0	0	0	112.1	H294 Y296	H294-L298 WeakPolarHBondContact NE2-CD2 3.43Å; Y296-L298 PolarHBondContact O-N 3.43Å
299	E	81.8	Confident	74.7	Confident	116 Å²	116	64.3 Å²	64.3	54%	0.542	32%	0.315	S	S	.	.	S	Bend	trans	-111.6	118.1	172.4	-69.1	-171	-111.6	0	0	109.4	P297 F480 K481	P297-E299 PolarHBondContact O-N 2.94Å; E299-F480 HydrophobicContact CB-CE1 4.43Å; E299-K481 HydrophobicContact CB-CD 3.96Å; E299-K481 VanDerWaalsContact CD-CE 3.46Å; E299-K481 IonicContact OE1-NZ 3.58Å; E299-K481 PolarHBondContact OE1-NZ 3.28Å; E299-K481 WeakPolarHBondContact OE2-CE 3.32Å; E299-K481 IonicContact OE2-NZ 3.99Å; E299-K481 PolarHBondContact OE2-NZ 3.46Å
300	H	86.3	Confident	76.7	Confident	14 Å²	14	60 Å²	60	7%	0.065	30%	0.295	C	S	.	.			trans	-141.8	154.1	-176.4	50.1	-89.7	0	0	0	110	Y296 P297 F302 L351 Y485	Y296-H300 HydrophobicContact CD1-CB 4.25Å; Y296-H300 AromaticContact CD1-CG 3.99Å; Y296-H300 AromaticContact CD1-ND1 3.79Å; Y296-H300 HydrophobicContact CE1-CB 3.64Å; Y296-H300 AromaticContact CE1-CG 3.61Å; Y296-H300 AromaticContact CE1-ND1 3.91Å; P297-H300 PolarHBondContact O-ND1 3.21Å; H300-F302 AromaticContact NE2-CE1 3.5Å; H300-F302 WeakPolarHBondContact NE2-CE1 3.32Å; H300-F302 AromaticContact NE2-CZ 3.56Å; H300-F302 PolarHBondContact O-N 3.42Å; H300-L351 PolarHBondContact NE2-O 2.77Å; H300-Y485 HydrophobicContact CB-CE1 4.32Å; H300-Y485 WeakPolarHBondContact CB-OH 3.5Å
301	P	88.8	Confident	78.4	Confident	15 Å²	15	49.7 Å²	49.7	10%	0.097	26%	0.256	C	S	.	.			trans	-66.9	130.3	167.5	30.8	-33.9	0	0	0	109.5	Y309 Y485	P301-Y309 HydrophobicContact CB-CD1 3.98Å; P301-Y309 HydrophobicContact CB-CD2 3.73Å; P301-Y309 HydrophobicContact CB-CE1 4.28Å; P301-Y309 HydrophobicContact CB-CE2 4.08Å; P301-Y309 HydrophobicContact CB-CG 3.67Å; P301-Y309 HydrophobicContact CG-CD1 3.93Å; P301-Y309 HydrophobicContact CG-CD2 4.2Å; P301-Y309 HydrophobicContact CG-CG 3.65Å; P301-Y485 HydrophobicContact CG-CD1 3.98Å; P301-Y485 HydrophobicContact CG-CD2 4.1Å; P301-Y485 HydrophobicContact CG-CE1 4.1Å; P301-Y485 HydrophobicContact CG-CE2 4.22Å; P301-Y485 HydrophobicContact CG-CG 3.99Å
302	F	85.3	Confident	79.9	Confident	52 Å²	52	47.5 Å²	47.5	23%	0.228	25%	0.247	C	C	.	.			trans	-83.7	147.2	173.8	-72.2	-89	0	0	0	110.5	H300 K304 Y309 R354 P356	H300-F302 AromaticContact NE2-CE1 3.5Å; H300-F302 WeakPolarHBondContact NE2-CE1 3.32Å; H300-F302 AromaticContact NE2-CZ 3.56Å; H300-F302 PolarHBondContact O-N 3.42Å; F302-K304 PolarHBondContact O-N 3.3Å; F302-K304 VanDerWaalsContact O-N 3.1Å; F302-Y309 WeakPolarHBondContact O-CD2 3.32Å; F302-Y309 WeakPolarHBondContact O-CE2 3.34Å; F302-R354 HydrophobicContact CD1-CG 4.45Å; F302-R354 HydrophobicContact CE1-CG 4.05Å; F302-P356 HydrophobicContact CB-CG 4.38Å; F302-P356 HydrophobicContact CD1-CB 4.4Å; F302-P356 HydrophobicContact CD1-CG 3.88Å; F302-P356 HydrophobicContact CD2-CB 4.45Å; F302-P356 HydrophobicContact CD2-CG 4.06Å; F302-P356 HydrophobicContact CE1-CB 4.14Å; F302-P356 HydrophobicContact CE1-CG 4.13Å; F302-P356 HydrophobicContact CE2-CB 4.2Å; F302-P356 HydrophobicContact CE2-CG 4.3Å; F302-P356 HydrophobicContact CG-CG 3.84Å; F302-P356 HydrophobicContact CZ-CB 4.03Å; F302-P356 HydrophobicContact CZ-CG 4.33Å
303	N	86.1	Confident	81.2	Confident	23 Å²	23	48.5 Å²	48.5	12%	0.123	25%	0.249	C	C	.	.	S	Bend	trans	-62.8	110.6	169.6	-67.1	-12.4	0	0	0	109.4	Y307 R308 Y309 H352 D353 L413	N303-Y307 WeakPolarHBondContact CA-O 3.34Å; N303-R308 HydrophobicContact CB-CG 4.36Å; N303-R308 WeakPolarHBondContact OD1-CA 3.35Å; N303-Y309 PolarHBondContact OD1-N 3.44Å; N303-H352 PolarHBondContact N-O 3.46Å; N303-D353 PolarHBondContact ND2-OD1 2.82Å; N303-L413 HydrophobicContact CB-CD1 4.2Å
304	K	80.2	Confident	83	Confident	124 Å²	124	47.2 Å²	47.2	54%	0.539	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-159.5	164.2	-175.5	71.1	174.2	-172.7	166.2	0	111.9	F302 G306 Y307	F302-K304 PolarHBondContact O-N 3.3Å; F302-K304 VanDerWaalsContact O-N 3.1Å; K304-G306 PolarHBondContact O-N 2.82Å; K304-G306 VanDerWaalsContact O-N 3.07Å; K304-Y307 PolarHBondContact N-O 3.45Å; K304-Y307 VanDerWaalsContact N-O 3.09Å; K304-Y307 PolarHBondContact O-N 3.26Å
305	D	80.9	Confident	84.2	Confident	133 Å²	133	45.3 Å²	45.3	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	28.6	172.4	-54.5	-41.8	0	0	0	113.9	Y307	D305-Y307 WeakPolarHBondContact O-CD2 3.25Å
306	G	84.7	Confident	85.1	Confident	28 Å²	28	48.5 Å²	48.5	29%	0.289	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	24.1	-177.7	0	0	0	0	0	114.3	K304 D490	K304-G306 PolarHBondContact O-N 2.82Å; K304-G306 VanDerWaalsContact O-N 3.07Å; G306-D490 PolarHBondContact O-N 3.1Å
307	Y	89.1	Confident	85.3	Confident	77 Å²	77	52.5 Å²	52.5	30%	0.302	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.1	172.1	-69	-91.6	0	0	0	111	N303 K304 D305 E487 E488 K489	N303-Y307 WeakPolarHBondContact CA-O 3.34Å; K304-Y307 PolarHBondContact N-O 3.45Å; K304-Y307 VanDerWaalsContact N-O 3.09Å; K304-Y307 PolarHBondContact O-N 3.26Å; D305-Y307 WeakPolarHBondContact O-CD2 3.25Å; Y307-E487 HydrophobicContact CD1-CG 3.8Å; Y307-E487 HydrophobicContact CE1-CG 4.44Å; Y307-E488 CarbonylContact C-O 3.57Å; Y307-E488 VanDerWaalsContact CA-O 3.31Å; Y307-E488 WeakPolarHBondContact CA-O 3.24Å; Y307-K489 HydrophobicContact CD1-CB 4.19Å; Y307-K489 HydrophobicContact CD1-CG 4.47Å; Y307-K489 HydrophobicContact CE1-CB 3.94Å; Y307-K489 HydrophobicContact CE1-CD 4.27Å; Y307-K489 HydrophobicContact CE1-CG 4.05Å
308	R	90.6	Very high	85.5	Confident	42 Å²	42	52.8 Å²	52.8	16%	0.158	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.4	170.2	-74.6	-172.7	-73.9	130.9	2.2	110.3	N303 I310 E488 D490	N303-R308 HydrophobicContact CB-CG 4.36Å; N303-R308 WeakPolarHBondContact OD1-CA 3.35Å; R308-I310 HydrophobicContact CB-CD1 4.49Å; R308-E488 IonicContact CZ-OE1 3.12Å; R308-E488 IonicContact CZ-OE2 3.09Å; R308-E488 PolarHBondContact N-O 2.87Å; R308-E488 IonicContact NE-OE2 3.7Å; R308-E488 IonicContact NH1-OE2 3.91Å; R308-E488 PolarHBondContact NH1-OE2 3.43Å; R308-E488 VanDerWaalsContact NH1-OE2 3.1Å; R308-E488 IonicContact NH2-OE1 2.67Å; R308-E488 PolarHBondContact NH2-OE1 3Å; R308-E488 IonicContact NH2-OE2 3.74Å; R308-E488 PolarHBondContact NH2-OE2 3.35Å; R308-E488 PolarHBondContact O-N 2.86Å; R308-D490 IonicContact CZ-OD1 2.88Å; R308-D490 IonicContact NE-OD1 2.59Å; R308-D490 PolarHBondContact NE-OD1 3.29Å; R308-D490 IonicContact NH2-OD1 3.68Å
309	Y	92	Very high	85.4	Confident	31 Å²	31	49 Å²	49	12%	0.122	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	112.9	178.9	-56	-84	0	0	0	109	P301 F302 N303 I478 F486 E487	P301-Y309 HydrophobicContact CB-CD1 3.98Å; P301-Y309 HydrophobicContact CB-CD2 3.73Å; P301-Y309 HydrophobicContact CB-CE1 4.28Å; P301-Y309 HydrophobicContact CB-CE2 4.08Å; P301-Y309 HydrophobicContact CB-CG 3.67Å; P301-Y309 HydrophobicContact CG-CD1 3.93Å; P301-Y309 HydrophobicContact CG-CD2 4.2Å; P301-Y309 HydrophobicContact CG-CG 3.65Å; F302-Y309 WeakPolarHBondContact O-CD2 3.32Å; F302-Y309 WeakPolarHBondContact O-CE2 3.34Å; N303-Y309 PolarHBondContact OD1-N 3.44Å; Y309-I478 HydrophobicContact CD1-CD1 3.63Å; Y309-I478 HydrophobicContact CD1-CG1 4.48Å; Y309-I478 HydrophobicContact CE1-CD1 3.5Å; Y309-I478 VanDerWaalsContact CE1-CD1 3.5Å; Y309-F486 WeakPolarHBondContact CA-O 3.37Å; Y309-E487 HydrophobicContact CD1-CB 4.47Å; Y309-E487 HydrophobicContact CD1-CG 4.39Å; Y309-E487 HydrophobicContact CE1-CB 4.47Å; Y309-E487 HydrophobicContact CE1-CG 3.98Å
310	I	92.1	Very high	85	Confident	23 Å²	23	47 Å²	47	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.8	179.4	-53.4	92.7	0	0	0	107.5	R308 A312 A341 Y472 Y485 F486 E488	R308-I310 HydrophobicContact CB-CD1 4.49Å; I310-A312 PolarHBondContact O-N 3.42Å; I310-A341 HydrophobicContact CG2-CB 3.85Å; I310-Y472 HydrophobicContact CD1-CD1 3.83Å; I310-Y472 HydrophobicContact CD1-CE1 3.73Å; I310-Y472 HydrophobicContact CD1-CG 4.47Å; I310-Y472 HydrophobicContact CG1-CD1 4.37Å; I310-Y472 HydrophobicContact CG1-CE1 4.05Å; I310-Y472 HydrophobicContact CG1-CE2 4.45Å; I310-Y472 HydrophobicContact CG2-CD2 4.44Å; I310-Y472 HydrophobicContact CG2-CE2 4.31Å; I310-Y485 CarbonylContact O-C 3.58Å; I310-Y485 WeakPolarHBondContact O-CA 3.4Å; I310-F486 HydrophobicContact CB-CB 4.23Å; I310-F486 HydrophobicContact CB-CD2 4.46Å; I310-F486 HydrophobicContact CD1-CB 4.25Å; I310-F486 PolarHBondContact N-O 3.39Å; I310-F486 PolarHBondContact O-N 2.92Å; I310-E488 HydrophobicContact CD1-CB 4.25Å
311	L	91.6	Very high	84	Confident	5 Å²	5	50 Å²	50	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131	177.3	179.7	66.3	0	0	0	109.9	L291 Y296 P297 C342 Y483 Y485	L291-L311 HydrophobicContact CD1-CD2 4.27Å; L291-L311 HydrophobicContact CD2-CD2 3.77Å; Y296-L311 HydrophobicContact CD2-CD2 4.19Å; Y296-L311 HydrophobicContact CE2-CB 4.02Å; Y296-L311 HydrophobicContact CE2-CD2 3.93Å; P297-L311 HydrophobicContact CG-CD1 3.96Å; P297-L311 HydrophobicContact CG-CD2 4.49Å; L311-C342 HydrophobicContact CB-CB 4.12Å; L311-C342 HydrophobicContact CD2-CB 3.79Å; L311-C342 HydrophobicContact CG-CB 3.73Å; L311-C342 WeakPolarHBondContact O-CB 3.36Å; L311-C342 PolarHBondContact O-N 3.16Å; L311-Y483 HydrophobicContact CD1-CD1 4.4Å; L311-Y485 HydrophobicContact CB-CD1 4.21Å; L311-Y485 HydrophobicContact CB-CE1 4.07Å; L311-Y485 HydrophobicContact CD1-CD1 4.25Å; L311-Y485 HydrophobicContact CD1-CE1 3.7Å
312	A	90.3	Very high	82.9	Confident	9 Å²	9	56.7 Å²	56.7	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.2	-179.1	0	0	0	0	0	111.1	I310 R340 L477 L484 F486	I310-A312 PolarHBondContact O-N 3.42Å; A312-R340 WeakPolarHBondContact CA-O 3.48Å; A312-L477 HydrophobicContact CB-CD2 4.4Å; A312-L484 HydrophobicContact CB-CB 4.15Å; A312-L484 PolarHBondContact N-O 3Å; A312-F486 HydrophobicContact CB-CD2 3.77Å; A312-F486 HydrophobicContact CB-CE2 3.54Å; A312-F486 HydrophobicContact CB-CZ 4.2Å
313	E	85.8	Confident	82	Confident	49 Å²	49	58.9 Å²	58.9	23%	0.229	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.9	171.1	63.8	178.7	-149.7	0	0	110.3	D315 Y339 R340 C342	E313-D315 PolarHBondContact O-N 3.23Å; E313-Y339 CarbonylContact O-C 3.06Å; E313-Y339 WeakPolarHBondContact O-CA 3.27Å; E313-Y339 WeakPolarHBondContact O-CD1 3.13Å; E313-R340 HydrophobicContact CG-CG 3.84Å; E313-R340 PolarHBondContact N-O 2.92Å; E313-R340 PolarHBondContact O-N 2.81Å; E313-R340 IonicContact OE1-CZ 2.7Å; E313-R340 VanDerWaalsContact OE1-CZ 3.28Å; E313-R340 IonicContact OE1-NE 3.44Å; E313-R340 PolarHBondContact OE1-NE 2.87Å; E313-R340 IonicContact OE1-NH2 3.44Å; E313-R340 PolarHBondContact OE1-NH2 2.83Å; E313-C342 HydrophobicContact CB-CB 4.32Å; E313-C342 HydrophobicContact CG-CB 4.18Å; E313-C342 PolarHBondContact OE2-SG 3.22Å
314	P	84.3	Confident	80.8	Confident	47 Å²	47	59.7 Å²	59.7	31%	0.305	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	134.6	173	-25.2	35.3	0	0	0	111	P316 L324 Y339	P314-P316 WeakPolarHBondContact O-CD 3.33Å; P314-L324 HydrophobicContact CB-CD1 4.31Å; P314-L324 HydrophobicContact CB-CD2 3.69Å; P314-L324 HydrophobicContact CG-CD2 4Å; P314-Y339 HydrophobicContact CG-CE1 4.16Å
315	D	86.1	Confident	79.7	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.037	32%	0.323	C	S	.	.			trans	-84.5	115.4	177.7	-178.2	4.8	0	0	0	110.3	E313 H317 A318 L338 R340 K473 H579	E313-D315 PolarHBondContact O-N 3.23Å; D315-H317 PolarHBondContact O-N 3.04Å; D315-H317 IonicContact OD1-CG 3.38Å; D315-H317 PolarHBondContact OD1-N 3.2Å; D315-H317 IonicContact OD1-ND1 3.59Å; D315-A318 HydrophobicContact CB-CB 4.21Å; D315-A318 WeakPolarHBondContact O-CB 3.12Å; D315-A318 PolarHBondContact O-N 3.07Å; D315-L338 PolarHBondContact N-O 3.29Å; D315-R340 HydrophobicContact CB-CB 4.15Å; D315-R340 HydrophobicContact CB-CG 4.13Å; D315-K473 IonicContact OD2-NZ 2.64Å; D315-K473 PolarHBondContact OD2-NZ 2.85Å; D315-H579 IonicContact OD2-CD2 3.65Å; D315-H579 IonicContact OD2-CE1 3.92Å; D315-H579 IonicContact OD2-NE2 3.26Å; D315-H579 PolarHBondContact OD2-NE2 3.12Å
316	P	81.1	Confident	78.3	Confident	84 Å²	84	60.1 Å²	60.1	55%	0.545	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.7	178.7	29.1	-36.3	0	0	0	113.5	P314 R340	P314-P316 WeakPolarHBondContact O-CD 3.33Å; P316-R340 VanDerWaalsContact CD-CZ 3.47Å
317	H	80.9	Confident	76.7	Confident	84 Å²	84	63.4 Å²	63.4	39%	0.389	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.2	-180	-47.7	115.8	0	0	0	113.1	D315 M576	D315-H317 PolarHBondContact O-N 3.04Å; D315-H317 IonicContact OD1-CG 3.38Å; D315-H317 PolarHBondContact OD1-N 3.2Å; D315-H317 IonicContact OD1-ND1 3.59Å; H317-M576 HydrophobicContact CB-CG 4.42Å
318	A	82.5	Confident	75.1	Confident	8 Å²	8	63 Å²	63	7%	0.066	33%	0.332	C	S	.	.			trans	-62	138.4	175.5	0	0	0	0	0	110.4	D315 D320 P321 L338	D315-A318 HydrophobicContact CB-CB 4.21Å; D315-A318 WeakPolarHBondContact O-CB 3.12Å; D315-A318 PolarHBondContact O-N 3.07Å; A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.25Å; A318-P321 WeakPolarHBondContact O-CD 3.4Å; A318-L338 HydrophobicContact CB-CD2 4.03Å
319	P	73.7	Confident	73.5	Confident	57 Å²	57	64.3 Å²	64.3	37%	0.37	34%	0.338	S	S	.	.	S	Bend	trans	-67	-24.7	-169.7	24	-34.5	0	0	0	114.3	E583	P319-E583 WeakPolarHBondContact CB-OE1 3.39Å
320	D	72.6	Confident	71.8	Confident	74 Å²	74	67.5 Å²	67.5	40%	0.396	37%	0.371	S	S	.	.			trans	-126.1	71.5	179.1	-67.3	-62.6	0	0	0	110.9	A318 E322 K323	A318-D320 VanDerWaalsContact C-N 3.27Å; A318-D320 PolarHBondContact O-N 3.25Å; D320-E322 PolarHBondContact O-N 3.38Å; D320-E322 VanDerWaalsContact O-N 3.16Å; D320-K323 HydrophobicContact CB-CB 4.3Å; D320-K323 HydrophobicContact CB-CD 3.57Å; D320-K323 HydrophobicContact CB-CG 3.79Å; D320-K323 WeakPolarHBondContact O-CB 3.23Å; D320-K323 PolarHBondContact O-N 3.05Å; D320-K323 VanDerWaalsContact OD2-CE 3.23Å; D320-K323 WeakPolarHBondContact OD2-CE 3.43Å; D320-K323 IonicContact OD2-NZ 2.68Å; D320-K323 PolarHBondContact OD2-NZ 3.3Å
321	P	65.5	Low	70.3	Confident	79 Å²	79	70.6 Å²	70.6	51%	0.513	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.9	-177.3	26.7	-33.4	0	0	0	112	A318 K323 L324	A318-P321 WeakPolarHBondContact O-CD 3.4Å; P321-K323 PolarHBondContact O-N 2.81Å; P321-L324 WeakPolarHBondContact O-CB 3.43Å; P321-L324 PolarHBondContact O-N 2.87Å
322	E	66.3	Low	69.2	Low	155 Å²	155	76.6 Å²	76.6	72%	0.724	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-63.9	-25.1	174.7	-60.1	-177.2	178.8	0	0	112.9	D320 L324 E325	D320-E322 PolarHBondContact O-N 3.38Å; D320-E322 VanDerWaalsContact O-N 3.16Å; E322-L324 PolarHBondContact O-N 3.32Å; E322-E325 PolarHBondContact O-N 3.05Å; E322-E325 VanDerWaalsContact O-N 3.07Å
323	K	65.2	Low	68.3	Low	98 Å²	98	81.7 Å²	81.7	43%	0.426	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-67.1	-18	173.8	-72.4	178.4	-173.7	163.1	0	112.6	D320 P321 E325 L338	D320-K323 HydrophobicContact CB-CB 4.3Å; D320-K323 HydrophobicContact CB-CD 3.57Å; D320-K323 HydrophobicContact CB-CG 3.79Å; D320-K323 WeakPolarHBondContact O-CB 3.23Å; D320-K323 PolarHBondContact O-N 3.05Å; D320-K323 VanDerWaalsContact OD2-CE 3.23Å; D320-K323 WeakPolarHBondContact OD2-CE 3.43Å; D320-K323 IonicContact OD2-NZ 2.68Å; D320-K323 PolarHBondContact OD2-NZ 3.3Å; P321-K323 PolarHBondContact O-N 2.81Å; K323-E325 VanDerWaalsContact C-N 3.26Å; K323-L338 HydrophobicContact CB-CD1 3.84Å
324	L	62.4	Low	68	Low	39 Å²	39	81.1 Å²	81.1	20%	0.204	46%	0.464	C	S	.	.	G	3₁₀ helix	trans	-67.9	-27.9	172.6	-158.1	80.8	0	0	0	111.7	P314 P321 E322 L338 Y339	P314-L324 HydrophobicContact CB-CD1 4.31Å; P314-L324 HydrophobicContact CB-CD2 3.69Å; P314-L324 HydrophobicContact CG-CD2 4Å; P321-L324 WeakPolarHBondContact O-CB 3.43Å; P321-L324 PolarHBondContact O-N 2.87Å; E322-L324 PolarHBondContact O-N 3.32Å; L324-L338 HydrophobicContact CD1-CB 4.26Å; L324-Y339 HydrophobicContact CD1-CE1 4.09Å; L324-Y339 HydrophobicContact CD1-CE2 4.04Å; L324-Y339 WeakPolarHBondContact CD1-OH 3.46Å
325	E	55.1	Low	67.8	Low	166 Å²	166	80.1 Å²	80.1	78%	0.776	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.3	-177.8	-62.1	-166.3	158.4	0	0	114	E322 K323 D327	E322-E325 PolarHBondContact O-N 3.05Å; E322-E325 VanDerWaalsContact O-N 3.07Å; K323-E325 VanDerWaalsContact C-N 3.26Å; E325-D327 PolarHBondContact O-N 3.1Å
326	L	53	Low	67.7	Low	101 Å²	101	80.1 Å²	80.1	53%	0.529	46%	0.459	S	S	.	.			trans	-75.4	97.4	-178.9	-90.4	125.1	0	0	0	112.1	C328	L326-C328 VanDerWaalsContact C-N 3.31Å; L326-C328 PolarHBondContact O-N 2.99Å
327	D	49.6	Very low	67.9	Low	96 Å²	96	79.1 Å²	79.1	51%	0.513	45%	0.449	S	S	.	.			trans	-53.6	78.5	167.7	-94	-20	0	0	0	112.6	E325	E325-D327 PolarHBondContact O-N 3.1Å
328	C	55.5	Low	68.1	Low	68 Å²	68	75.4 Å²	75.4	46%	0.459	43%	0.432	S	S	.	.			trans	-161.7	26	170.1	48.4	0	0	0	0	116.9	L326 A330	L326-C328 VanDerWaalsContact C-N 3.31Å; L326-C328 PolarHBondContact O-N 2.99Å; C328-A330 VanDerWaalsContact C-N 3.29Å; C328-A330 PolarHBondContact O-N 3.23Å
329	W	57.7	Low	68.3	Low	70 Å²	70	75.4 Å²	75.4	27%	0.265	43%	0.431	S	S	.	.			trans	-85.6	7.8	174.9	-54.4	110.3	0	0	0	114.6	F286 G331 K332 P335	F286-W329 AromaticContact CZ-CD1 3.51Å; F286-W329 HydrophobicContact CZ-CG 4.37Å; W329-G331 PolarHBondContact O-N 3.49Å; W329-K332 HydrophobicContact CE3-CB 3.9Å; W329-K332 HydrophobicContact CE3-CD 4.28Å; W329-K332 HydrophobicContact CZ3-CB 4.5Å; W329-K332 HydrophobicContact CZ3-CD 4.35Å; W329-K332 PolarHBondContact O-N 3.06Å; W329-P335 HydrophobicContact CH2-CG 4.18Å; W329-P335 HydrophobicContact CZ2-CG 3.82Å
330	A	56.6	Low	69.1	Low	99 Å²	99	75 Å²	75	82%	0.818	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	102.8	175.1	0	0	0	0	0	111.1	C328	C328-A330 VanDerWaalsContact C-N 3.29Å; C328-A330 PolarHBondContact O-N 3.23Å
331	G	60.5	Low	70	Confident	87 Å²	87	71.6 Å²	71.6	90%	0.897	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	4.8	-179.3	0	0	0	0	0	115.5	W329	W329-G331 PolarHBondContact O-N 3.49Å
332	K	68.4	Low	71	Confident	132 Å²	132	68.5 Å²	68.5	57%	0.574	38%	0.384	S	S	*	.	S	Bend	trans	-110.2	152.3	171.2	-69.5	-178.4	-179	178.3	0	110.1	W329	W329-K332 HydrophobicContact CE3-CB 3.9Å; W329-K332 HydrophobicContact CE3-CD 4.28Å; W329-K332 HydrophobicContact CZ3-CB 4.5Å; W329-K332 HydrophobicContact CZ3-CD 4.35Å; W329-K332 PolarHBondContact O-N 3.06Å
333	P	71.8	Confident	71.6	Confident	116 Å²	116	63.4 Å²	63.4	75%	0.753	36%	0.362	S	S	*	.			trans	-57.5	139.7	170.9	-20.1	32.1	0	0	0	110.4
334	I	78.5	Confident	72.2	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.19	35%	0.347	C	S	.	.			trans	-72.4	128.5	173.1	-59.7	173	0	0	0	107.3	G336 Y339 L477 L484	I334-G336 PolarHBondContact O-N 2.88Å; I334-Y339 HydrophobicContact CG2-CD2 4.36Å; I334-Y339 HydrophobicContact CG2-CE2 3.75Å; I334-L477 HydrophobicContact CB-CB 4Å; I334-L477 HydrophobicContact CD1-CB 4.45Å; I334-L477 HydrophobicContact CG2-CB 4.1Å; I334-L477 HydrophobicContact CG2-CD2 3.9Å; I334-L484 HydrophobicContact CD1-CD2 3.63Å
335	P	80.9	Confident	73	Confident	25 Å²	25	63.7 Å²	63.7	16%	0.162	36%	0.363	C	S	.	.			trans	-67.4	113.2	-179.6	28.1	-35.5	0	0	0	110.3	W329 D337 L338 Y339	W329-P335 HydrophobicContact CH2-CG 4.18Å; W329-P335 HydrophobicContact CZ2-CG 3.82Å; P335-D337 VanDerWaalsContact CB-OD1 3.23Å; P335-D337 WeakPolarHBondContact CB-OD1 3.42Å; P335-L338 HydrophobicContact CB-CD1 4.22Å; P335-L338 HydrophobicContact CB-CG 4.15Å; P335-L338 HydrophobicContact CG-CD1 3.55Å; P335-L338 HydrophobicContact CG-CG 3.97Å; P335-Y339 WeakPolarHBondContact O-CD2 3.46Å
336	G	83.9	Confident	74.4	Confident	7 Å²	7	60.3 Å²	60.3	7%	0.072	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-76.2	-22.4	-174.6	0	0	0	0	0	114.7	I334 L338 Y339 K473	I334-G336 PolarHBondContact O-N 2.88Å; G336-L338 PolarHBondContact O-N 3.04Å; G336-Y339 PolarHBondContact O-N 3.03Å; G336-Y339 VanDerWaalsContact O-N 3.11Å; G336-Y339 VanDerWaalsContact O-O 3.11Å; G336-K473 CarbonylContact C-O 3.46Å
337	D	85	Confident	76.4	Confident	63 Å²	63	56 Å²	56	34%	0.337	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-58.2	-33.4	172.5	53.9	-45	0	0	0	112.6	P335 Y339 K473 Y578 H579	P335-D337 VanDerWaalsContact CB-OD1 3.23Å; P335-D337 WeakPolarHBondContact CB-OD1 3.42Å; D337-Y339 PolarHBondContact O-N 2.78Å; D337-K473 PolarHBondContact O-NZ 2.78Å; D337-Y578 HydrophobicContact CB-CE1 4.19Å; D337-H579 PolarHBondContact O-CE1 2.84Å; D337-H579 VanDerWaalsContact O-CE1 3.23Å
338	L	85.3	Confident	78.5	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.037	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-75.1	-2.1	177.8	-56.4	-173.4	0	0	0	114.4	D315 A318 K323 L324 P335 G336	D315-L338 PolarHBondContact N-O 3.29Å; A318-L338 HydrophobicContact CB-CD2 4.03Å; K323-L338 HydrophobicContact CB-CD1 3.84Å; L324-L338 HydrophobicContact CD1-CB 4.26Å; P335-L338 HydrophobicContact CB-CD1 4.22Å; P335-L338 HydrophobicContact CB-CG 4.15Å; P335-L338 HydrophobicContact CG-CD1 3.55Å; P335-L338 HydrophobicContact CG-CG 3.97Å; G336-L338 PolarHBondContact O-N 3.04Å
339	Y	87.6	Confident	80.4	Confident	8 Å²	8	49.2 Å²	49.2	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	160.3	-175.8	-67.6	-89.7	0	0	0	111.1	F286 E313 P314 L324 I334 P335 G336 D337 K473 L477 L484	F286-Y339 WeakPolarHBondContact CD1-OH 3.32Å; F286-Y339 WeakPolarHBondContact CE1-OH 3.34Å; E313-Y339 CarbonylContact O-C 3.06Å; E313-Y339 WeakPolarHBondContact O-CA 3.27Å; E313-Y339 WeakPolarHBondContact O-CD1 3.13Å; P314-Y339 HydrophobicContact CG-CE1 4.16Å; L324-Y339 HydrophobicContact CD1-CE1 4.09Å; L324-Y339 HydrophobicContact CD1-CE2 4.04Å; L324-Y339 WeakPolarHBondContact CD1-OH 3.46Å; I334-Y339 HydrophobicContact CG2-CD2 4.36Å; I334-Y339 HydrophobicContact CG2-CE2 3.75Å; P335-Y339 WeakPolarHBondContact O-CD2 3.46Å; G336-Y339 PolarHBondContact O-N 3.03Å; G336-Y339 VanDerWaalsContact O-N 3.11Å; G336-Y339 VanDerWaalsContact O-O 3.11Å; D337-Y339 PolarHBondContact O-N 2.78Å; Y339-K473 PolarHBondContact O-NZ 3.06Å; Y339-L477 HydrophobicContact CD1-CD2 4.13Å; Y339-L477 HydrophobicContact CD2-CD2 3.41Å; Y339-L477 VanDerWaalsContact CD2-CD2 3.41Å; Y339-L477 HydrophobicContact CE2-CD2 3.96Å; Y339-L477 HydrophobicContact CG-CD2 3.51Å; Y339-L484 HydrophobicContact CD1-CD1 3.99Å; Y339-L484 HydrophobicContact CE1-CD1 3.28Å; Y339-L484 HydrophobicContact CE2-CD1 4.18Å; Y339-L484 WeakPolarHBondContact OH-CD1 3.39Å
340	R	89.8	Confident	82.1	Confident	47 Å²	47	45.9 Å²	45.9	18%	0.177	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	163.7	173.3	64.8	178.9	-170.4	-174.8	3.8	110.9	A312 E313 D315 P316 C342 D575	A312-R340 WeakPolarHBondContact CA-O 3.48Å; E313-R340 HydrophobicContact CG-CG 3.84Å; E313-R340 PolarHBondContact N-O 2.92Å; E313-R340 PolarHBondContact O-N 2.81Å; E313-R340 IonicContact OE1-CZ 2.7Å; E313-R340 VanDerWaalsContact OE1-CZ 3.28Å; E313-R340 IonicContact OE1-NE 3.44Å; E313-R340 PolarHBondContact OE1-NE 2.87Å; E313-R340 IonicContact OE1-NH2 3.44Å; E313-R340 PolarHBondContact OE1-NH2 2.83Å; D315-R340 HydrophobicContact CB-CB 4.15Å; D315-R340 HydrophobicContact CB-CG 4.13Å; P316-R340 VanDerWaalsContact CD-CZ 3.47Å; R340-C342 PolarHBondContact O-N 2.77Å; R340-D575 VanDerWaalsContact CB-OD2 3.25Å; R340-D575 WeakPolarHBondContact CB-OD2 3.4Å
341	A	90.6	Very high	83.7	Confident	4 Å²	4	41.9 Å²	41.9	3%	0.033	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.6	174.1	0	0	0	0	0	110	I310 L343 Y472	I310-A341 HydrophobicContact CG2-CB 3.85Å; A341-L343 PolarHBondContact O-N 2.89Å; A341-Y472 HydrophobicContact CB-CD2 4.06Å; A341-Y472 HydrophobicContact CB-CE2 4.23Å
342	C	87.6	Confident	85	Confident	14 Å²	14	39.5 Å²	39.5	10%	0.095	20%	0.197	C	C	.	.			trans	-77.1	112.7	175.2	-175	0	0	0	0	109.2	L291 L311 E313 R340	L291-C342 VanDerWaalsContact CD1-SG 3.55Å; L311-C342 HydrophobicContact CB-CB 4.12Å; L311-C342 HydrophobicContact CD2-CB 3.79Å; L311-C342 HydrophobicContact CG-CB 3.73Å; L311-C342 WeakPolarHBondContact O-CB 3.36Å; L311-C342 PolarHBondContact O-N 3.16Å; E313-C342 HydrophobicContact CB-CB 4.32Å; E313-C342 HydrophobicContact CG-CB 4.18Å; E313-C342 PolarHBondContact OE2-SG 3.22Å; R340-C342 PolarHBondContact O-N 2.77Å
343	L	77.8	Confident	86.1	Confident	47 Å²	47	33.8 Å²	33.8	25%	0.246	17%	0.173	C	C	.	.			trans	-105.4	152.2	-175.5	-62.7	167.3	0	0	0	111.1	A341 V568 H571	A341-L343 PolarHBondContact O-N 2.89Å; L343-V568 HydrophobicContact CB-CG2 4.14Å; L343-H571 HydrophobicContact CD1-CB 3.23Å
344	Y	78	Confident	87.2	Confident	32 Å²	32	29.9 Å²	29.9	13%	0.125	14%	0.143	C	C	.	.			trans	-112.1	129.6	178.5	-60	-75.2	0	0	0	109.7	G295 Y296 R346 H380	G295-Y344 WeakPolarHBondContact O-CE1 3.43Å; G295-Y344 VanDerWaalsContact O-CZ 3.25Å; G295-Y344 PolarHBondContact O-OH 3.4Å; Y296-Y344 HydrophobicContact CD2-CE2 4.05Å; Y296-Y344 AromaticContact CD2-CZ 3.88Å; Y296-Y344 WeakPolarHBondContact CD2-OH 3.43Å; Y296-Y344 HydrophobicContact CE2-CE2 4.45Å; Y344-R346 PolarHBondContact O-N 3.24Å; Y344-R346 VanDerWaalsContact O-N 3.1Å; Y344-H380 PolarHBondContact O-CE1 3.22Å; Y344-H380 PolarHBondContact O-NE2 3.02Å
345	E	79.7	Confident	87.9	Confident	112 Å²	112	28.2 Å²	28.2	52%	0.523	14%	0.135	S	C	.	.	S	Bend	trans	-64.1	-16.6	175.3	-62.6	172.6	-178.9	0	0	112.9	G564 W565 V568	E345-G564 WeakPolarHBondContact O-CA 3.38Å; E345-W565 HydrophobicContact CB-CH2 4.47Å; E345-W565 HydrophobicContact CB-CZ2 4.16Å; E345-W565 HydrophobicContact CG-CE3 4.45Å; E345-W565 HydrophobicContact CG-CH2 3.76Å; E345-W565 HydrophobicContact CG-CZ2 3.95Å; E345-W565 HydrophobicContact CG-CZ3 4.03Å; E345-W565 VanDerWaalsContact OE1-CH2 3.31Å; E345-W565 WeakPolarHBondContact OE1-CH2 3.37Å; E345-W565 WeakPolarHBondContact OE2-CZ2 3.33Å; E345-V568 HydrophobicContact CG-CG2 4.44Å
346	R	85.1	Confident	88.4	Confident	95 Å²	95	30.1 Å²	30.1	36%	0.358	15%	0.147	S	C	.	.	S	Bend	trans	-114.4	138.4	178.5	-62.7	-177.8	72.9	-142.9	9.6	110.8	H109 Y344 L348	H109-R346 PolarHBondContact CE1-NH1 2.95Å; H109-R346 PolarHBondContact ND1-NH1 2.92Å; Y344-R346 PolarHBondContact O-N 3.24Å; Y344-R346 VanDerWaalsContact O-N 3.1Å; R346-L348 HydrophobicContact CB-CG 4.46Å; R346-L348 PolarHBondContact O-N 2.88Å
347	V	94.2	Very high	88.7	Confident	9 Å²	9	32.5 Å²	32.5	6%	0.055	16%	0.156	C	C	.	.			trans	-76.4	117.9	170.9	-172.1	0	0	0	0	109.6	A378 H380 F544 M560 M563	V347-A378 HydrophobicContact CG1-CB 4.13Å; V347-H380 HydrophobicContact CG1-CB 4.15Å; V347-H380 HydrophobicContact CG2-CB 3.91Å; V347-F544 HydrophobicContact CB-CB 4.3Å; V347-F544 HydrophobicContact CB-CD1 4.46Å; V347-F544 HydrophobicContact CB-CD2 4.13Å; V347-F544 HydrophobicContact CB-CG 4.04Å; V347-F544 HydrophobicContact CG1-CB 4.46Å; V347-F544 HydrophobicContact CG1-CD1 3.73Å; V347-F544 HydrophobicContact CG1-CD2 3.95Å; V347-F544 HydrophobicContact CG1-CE1 3.83Å; V347-F544 HydrophobicContact CG1-CE2 4.04Å; V347-F544 HydrophobicContact CG1-CG 3.78Å; V347-F544 HydrophobicContact CG1-CZ 3.98Å; V347-F544 WeakPolarHBondContact O-CD2 3.44Å; V347-F544 WeakPolarHBondContact O-CE2 3.47Å; V347-M560 WeakPolarHBondContact CG2-O 3.46Å; V347-M563 HydrophobicContact CG2-CB 4.27Å
348	L	94.4	Very high	89.1	Confident	19 Å²	19	29.7 Å²	29.7	10%	0.099	14%	0.142	C	C	.	.			trans	-130.4	167.9	179.5	-59.7	174.6	0	0	0	110.5	R346 A350 R364 L365 A378 S379	R346-L348 HydrophobicContact CB-CG 4.46Å; R346-L348 PolarHBondContact O-N 2.88Å; L348-A350 PolarHBondContact O-N 3.16Å; L348-R364 HydrophobicContact CB-CB 4.06Å; L348-R364 HydrophobicContact CD1-CB 4.42Å; L348-R364 HydrophobicContact CD2-CB 4.47Å; L348-L365 HydrophobicContact CD2-CD2 4.02Å; L348-L365 HydrophobicContact CD2-CG 4.41Å; L348-A378 CarbonylContact O-C 3.46Å; L348-A378 WeakPolarHBondContact O-CA 3.44Å; L348-S379 PolarHBondContact N-OG 3.42Å; L348-S379 WeakPolarHBondContact O-CB 3.41Å; L348-S379 PolarHBondContact O-N 3.47Å; L348-S379 PolarHBondContact O-OG 3.27Å
349	L	95.8	Very high	89.5	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.5	165	-63.6	174	0	0	0	110.2	I360 R364 V367 V376 I532 V542 F544	L349-I360 HydrophobicContact CB-CD1 4.15Å; L349-R364 WeakPolarHBondContact CB-O 3.4Å; L349-R364 WeakPolarHBondContact CG-O 3.4Å; L349-R364 PolarHBondContact N-O 3.13Å; L349-R364 PolarHBondContact O-NE 2.98Å; L349-R364 PolarHBondContact O-NH2 2.84Å; L349-V367 HydrophobicContact CD1-CB 3.89Å; L349-V367 HydrophobicContact CD1-CG1 3.85Å; L349-V376 HydrophobicContact CB-CG2 4.1Å; L349-V376 HydrophobicContact CD2-CG1 4.24Å; L349-V376 HydrophobicContact CD2-CG2 4.23Å; L349-I532 HydrophobicContact CD2-CD1 4.1Å; L349-V542 HydrophobicContact CD1-CG1 4.22Å; L349-V542 HydrophobicContact CD2-CG1 4.02Å; L349-V542 HydrophobicContact CG-CG1 3.93Å; L349-F544 HydrophobicContact CD2-CZ 4.47Å
350	A	93	Very high	89.8	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129	-176.1	0	0	0	0	0	111.1	L348 D353 R377	L348-A350 PolarHBondContact O-N 3.16Å; A350-D353 HydrophobicContact CB-CB 3.65Å; A350-R377 WeakPolarHBondContact CB-O 3.16Å; A350-R377 PolarHBondContact N-O 3.37Å
351	L	90	Very high	89.8	Confident	15 Å²	15	36 Å²	36	8%	0.079	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-35.7	-179.2	-74.4	172.3	0	0	0	112.8	Y296 H300 R354 I360 R364	Y296-L351 VanDerWaalsContact CB-CD1 3.46Å; Y296-L351 HydrophobicContact CD1-CB 3.88Å; Y296-L351 HydrophobicContact CD1-CD1 4.49Å; Y296-L351 HydrophobicContact CG-CB 3.93Å; Y296-L351 HydrophobicContact CG-CD1 4.13Å; H300-L351 PolarHBondContact NE2-O 2.77Å; L351-R354 VanDerWaalsContact O-CD 3.26Å; L351-R354 WeakPolarHBondContact O-CD 3.33Å; L351-R354 VanDerWaalsContact O-CG 3.26Å; L351-R354 WeakPolarHBondContact O-CG 3.4Å; L351-R354 PolarHBondContact O-NE 2.91Å; L351-I360 HydrophobicContact CD2-CB 4.38Å; L351-I360 HydrophobicContact CD2-CD1 4.23Å; L351-I360 HydrophobicContact CD2-CG2 4.42Å; L351-R364 HydrophobicContact CD1-CG 4.45Å
352	H	87.9	Confident	89.4	Confident	36 Å²	36	43 Å²	43	17%	0.167	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-26.9	176.1	58.5	-81.4	0	0	0	113.5	Y296 N303 R354	Y296-H352 HydrophobicContact CE1-CB 3.94Å; Y296-H352 HydrophobicContact CE2-CB 4.41Å; Y296-H352 AromaticContact CE2-CE1 3.93Å; Y296-H352 AromaticContact CE2-ND1 3.15Å; Y296-H352 WeakPolarHBondContact CE2-ND1 3.28Å; Y296-H352 AromaticContact CZ-CG 3.69Å; Y296-H352 AromaticContact CZ-ND1 3.27Å; Y296-H352 VanDerWaalsContact CZ-ND1 3.27Å; Y296-H352 WeakPolarHBondContact OH-CB 3.27Å; Y296-H352 PolarHBondContact OH-ND1 2.79Å; Y296-H352 VanDerWaalsContact OH-ND1 3.16Å; N303-H352 PolarHBondContact N-O 3.46Å; H352-R354 PolarHBondContact O-N 2.92Å
353	D	92.3	Very high	89.2	Confident	13 Å²	13	45.8 Å²	45.8	7%	0.07	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	54.3	-171.9	-149.8	26.2	0	0	0	112.2	N303 A350 R377	N303-D353 PolarHBondContact ND2-OD1 2.82Å; A350-D353 HydrophobicContact CB-CB 3.65Å; D353-R377 PolarHBondContact O-N 2.59Å; D353-R377 VanDerWaalsContact O-N 3.15Å; D353-R377 IonicContact OD1-CZ 3.32Å; D353-R377 IonicContact OD1-NE 3.97Å; D353-R377 IonicContact OD1-NH2 2.95Å; D353-R377 PolarHBondContact OD1-NH2 2.8Å; D353-R377 IonicContact OD2-CZ 2.69Å; D353-R377 VanDerWaalsContact OD2-CZ 3.29Å; D353-R377 IonicContact OD2-NE 2.82Å; D353-R377 PolarHBondContact OD2-NE 2.82Å; D353-R377 IonicContact OD2-NH2 3.93Å; D353-R377 PolarHBondContact OD2-NH2 3.27Å; D353-R377 VanDerWaalsContact OD2-NH2 3.12Å
354	R	93.6	Very high	89.9	Confident	34 Å²	34	43.8 Å²	43.8	13%	0.128	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.6	-178.9	73	-171.4	-178.1	89.5	-12.5	111.8	F302 L351 H352 P356 L358 M375 V376	F302-R354 HydrophobicContact CD1-CG 4.45Å; F302-R354 HydrophobicContact CE1-CG 4.05Å; L351-R354 VanDerWaalsContact O-CD 3.26Å; L351-R354 WeakPolarHBondContact O-CD 3.33Å; L351-R354 VanDerWaalsContact O-CG 3.26Å; L351-R354 WeakPolarHBondContact O-CG 3.4Å; L351-R354 PolarHBondContact O-NE 2.91Å; H352-R354 PolarHBondContact O-N 2.92Å; R354-P356 PolarHBondContact NH1-O 3.36Å; R354-L358 PolarHBondContact NH1-O 3.15Å; R354-M375 WeakPolarHBondContact CA-O 3.34Å; R354-V376 HydrophobicContact CB-CB 3.81Å; R354-V376 HydrophobicContact CB-CG2 3.76Å
355	A	93.5	Very high	90.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.008	22%	0.22	C	C	.	.			trans	-64.4	135.3	164.9	0	0	0	0	0	110.9	Q357 L358 M375 L413	A355-Q357 HydrophobicContact CB-CG 4.39Å; A355-Q357 PolarHBondContact O-N 3.44Å; A355-Q357 VanDerWaalsContact O-N 3.13Å; A355-L358 HydrophobicContact CB-CD1 4.4Å; A355-L358 HydrophobicContact CB-CG 4.35Å; A355-L358 PolarHBondContact O-N 3.02Å; A355-L358 VanDerWaalsContact O-N 3.1Å; A355-M375 PolarHBondContact N-O 3.07Å; A355-L413 WeakPolarHBondContact CB-O 3.45Å
356	P	90.8	Very high	91.5	Very high	66 Å²	66	40.5 Å²	40.5	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-177.2	-26.2	34.4	0	0	0	114.7	F302 R354 L358	F302-P356 HydrophobicContact CB-CG 4.38Å; F302-P356 HydrophobicContact CD1-CB 4.4Å; F302-P356 HydrophobicContact CD1-CG 3.88Å; F302-P356 HydrophobicContact CD2-CB 4.45Å; F302-P356 HydrophobicContact CD2-CG 4.06Å; F302-P356 HydrophobicContact CE1-CB 4.14Å; F302-P356 HydrophobicContact CE1-CG 4.13Å; F302-P356 HydrophobicContact CE2-CB 4.2Å; F302-P356 HydrophobicContact CE2-CG 4.3Å; F302-P356 HydrophobicContact CG-CG 3.84Å; F302-P356 HydrophobicContact CZ-CB 4.03Å; F302-P356 HydrophobicContact CZ-CG 4.33Å; R354-P356 PolarHBondContact NH1-O 3.36Å; P356-L358 VanDerWaalsContact C-N 3.31Å; P356-L358 PolarHBondContact O-N 2.96Å
357	Q	90.7	Very high	92.1	Very high	56 Å²	56	36 Å²	36	26%	0.262	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.8	-179.6	66.8	-90.7	31.9	0	0	114.7	A355	A355-Q357 HydrophobicContact CB-CG 4.39Å; A355-Q357 PolarHBondContact O-N 3.44Å; A355-Q357 VanDerWaalsContact O-N 3.13Å
358	L	94.2	Very high	92.3	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	20%	0.197	C	C	.	.			trans	-71.5	144.2	174	-73.9	176.5	0	0	0	110	R354 A355 P356 V367 S374 M375 V376 L534	R354-L358 PolarHBondContact NH1-O 3.15Å; A355-L358 HydrophobicContact CB-CD1 4.4Å; A355-L358 HydrophobicContact CB-CG 4.35Å; A355-L358 PolarHBondContact O-N 3.02Å; A355-L358 VanDerWaalsContact O-N 3.1Å; P356-L358 VanDerWaalsContact C-N 3.31Å; P356-L358 PolarHBondContact O-N 2.96Å; L358-V367 HydrophobicContact CB-CG2 4.12Å; L358-V367 HydrophobicContact CD1-CG2 4.19Å; L358-V367 HydrophobicContact CD2-CG2 4.02Å; L358-V367 HydrophobicContact CG-CG2 4.34Å; L358-S374 WeakPolarHBondContact CD2-OG 3.35Å; L358-S374 WeakPolarHBondContact CG-OG 3.37Å; L358-M375 WeakPolarHBondContact CD1-O 3.17Å; L358-V376 HydrophobicContact CD1-CB 3.78Å; L358-V376 HydrophobicContact CD1-CG1 4.01Å; L358-L534 HydrophobicContact CD2-CD1 4.42Å
359	K	93.9	Very high	92.3	Very high	127 Å²	127	36.7 Å²	36.7	55%	0.552	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	126.2	172.9	-63.6	178.2	-175.1	174.6	0	107.9	V367 T368	K359-V367 CarbonylContact O-C 3.56Å; K359-V367 VanDerWaalsContact O-CA 3.32Å; K359-V367 WeakPolarHBondContact O-CA 3.46Å; K359-T368 PolarHBondContact N-O 2.93Å; K359-T368 PolarHBondContact O-N 3.26Å
360	I	92.4	Very high	92	Very high	30 Å²	30	40.5 Å²	40.5	15%	0.154	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.7	178.6	-63.9	-178.2	0	0	0	107.1	L349 L351 R364 T366 V367 V376	L349-I360 HydrophobicContact CB-CD1 4.15Å; L351-I360 HydrophobicContact CD2-CB 4.38Å; L351-I360 HydrophobicContact CD2-CD1 4.23Å; L351-I360 HydrophobicContact CD2-CG2 4.42Å; I360-R364 HydrophobicContact CG2-CB 4.16Å; I360-R364 HydrophobicContact CG2-CG 4.18Å; I360-T366 WeakPolarHBondContact CA-O 3.43Å; I360-V367 HydrophobicContact CG1-CB 4.25Å; I360-V367 HydrophobicContact CG1-CG2 4.08Å; I360-V376 HydrophobicContact CD1-CG2 3.92Å
361	S	89.6	Confident	91.8	Very high	38 Å²	38	47.7 Å²	47.7	27%	0.266	24%	0.243	S	C	.	.			trans	-65	161.3	174.2	52.2	0	0	0	0	111.9	D363 R364 T366	S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 VanDerWaalsContact CB-OD1 3.3Å; S361-D363 WeakPolarHBondContact CB-OD1 3.36Å; S361-D363 PolarHBondContact O-N 3.09Å; S361-D363 PolarHBondContact OG-OD1 3.48Å; S361-R364 WeakPolarHBondContact O-CA 3.04Å; S361-R364 PolarHBondContact O-N 2.96Å; S361-T366 PolarHBondContact N-O 2.9Å; S361-T366 WeakPolarHBondContact OG-CA 3.37Å; S361-T366 WeakPolarHBondContact OG-CB 3.44Å; S361-T366 PolarHBondContact OG-N 2.94Å; S361-T366 PolarHBondContact OG-O 3.32Å
362	D	83.7	Confident	92	Very high	151 Å²	151	48.6 Å²	48.6	81%	0.807	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.2	-177.9	-68.9	-16	0	0	0	113	R364	D362-R364 PolarHBondContact O-N 3.1Å
363	D	82.4	Confident	92.4	Very high	72 Å²	72	49.2 Å²	49.2	39%	0.385	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-7.7	174.6	69.6	-3.9	0	0	0	113.6	S361 L365	S361-D363 VanDerWaalsContact C-N 3.25Å; S361-D363 VanDerWaalsContact CB-OD1 3.3Å; S361-D363 WeakPolarHBondContact CB-OD1 3.36Å; S361-D363 PolarHBondContact O-N 3.09Å; S361-D363 PolarHBondContact OG-OD1 3.48Å; D363-L365 PolarHBondContact O-N 2.87Å; D363-L365 PolarHBondContact OD1-N 3.5Å; D363-L365 VanDerWaalsContact OD1-N 3.09Å
364	R	92.1	Very high	92.6	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.015	25%	0.254	C	S	.	.	S	Bend	trans	58.6	30.4	179.4	-58.6	171	57.1	-176.3	-3.9	114.4	H294 L348 L349 L351 I360 S361 D362	H294-R364 WeakPolarHBondContact O-CD 3.35Å; H294-R364 PolarHBondContact O-NH1 3.12Å; L348-R364 HydrophobicContact CB-CB 4.06Å; L348-R364 HydrophobicContact CD1-CB 4.42Å; L348-R364 HydrophobicContact CD2-CB 4.47Å; L349-R364 WeakPolarHBondContact CB-O 3.4Å; L349-R364 WeakPolarHBondContact CG-O 3.4Å; L349-R364 PolarHBondContact N-O 3.13Å; L349-R364 PolarHBondContact O-NE 2.98Å; L349-R364 PolarHBondContact O-NH2 2.84Å; L351-R364 HydrophobicContact CD1-CG 4.45Å; I360-R364 HydrophobicContact CG2-CB 4.16Å; I360-R364 HydrophobicContact CG2-CG 4.18Å; S361-R364 WeakPolarHBondContact O-CA 3.04Å; S361-R364 PolarHBondContact O-N 2.96Å; D362-R364 PolarHBondContact O-N 3.1Å
365	L	95.6	Very high	92.7	Very high	42 Å²	42	47 Å²	47	22%	0.22	25%	0.248	C	C	.	.	S	Bend	trans	-115.6	-11.7	176.6	-64.2	176.3	0	0	0	113.5	L348 D363 S541 V542 F544	L348-L365 HydrophobicContact CD2-CD2 4.02Å; L348-L365 HydrophobicContact CD2-CG 4.41Å; D363-L365 PolarHBondContact O-N 2.87Å; D363-L365 PolarHBondContact OD1-N 3.5Å; D363-L365 VanDerWaalsContact OD1-N 3.09Å; L365-S541 CarbonylContact O-C 3.57Å; L365-S541 VanDerWaalsContact O-CA 3.31Å; L365-S541 WeakPolarHBondContact O-CA 3.13Å; L365-V542 HydrophobicContact CD2-CG1 4.17Å; L365-V542 WeakPolarHBondContact O-CG1 3.41Å; L365-V542 PolarHBondContact O-N 3.21Å; L365-F544 HydrophobicContact CD2-CD2 3.99Å; L365-F544 HydrophobicContact CD2-CE2 3.9Å
366	T	96.8	Very high	93	Very high	33 Å²	33	47 Å²	47	20%	0.202	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.1	175.6	-53.2	0	0	0	0	110.2	I360 S361 T539 V540 S541	I360-T366 WeakPolarHBondContact CA-O 3.43Å; S361-T366 PolarHBondContact N-O 2.9Å; S361-T366 WeakPolarHBondContact OG-CA 3.37Å; S361-T366 WeakPolarHBondContact OG-CB 3.44Å; S361-T366 PolarHBondContact OG-N 2.94Å; S361-T366 PolarHBondContact OG-O 3.32Å; T366-T539 HydrophobicContact CG2-CG2 3.46Å; T366-T539 VanDerWaalsContact CG2-CG2 3.46Å; T366-V540 WeakPolarHBondContact CA-O 3.42Å; T366-S541 WeakPolarHBondContact CG2-OG 3.46Å; T366-S541 PolarHBondContact OG1-OG 3.35Å
367	V	97.8	Very high	93.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.2	175.4	54.7	0	0	0	0	111.1	L349 L358 K359 I360 V376 I532 L534 T539 V540	L349-V367 HydrophobicContact CD1-CB 3.89Å; L349-V367 HydrophobicContact CD1-CG1 3.85Å; L358-V367 HydrophobicContact CB-CG2 4.12Å; L358-V367 HydrophobicContact CD1-CG2 4.19Å; L358-V367 HydrophobicContact CD2-CG2 4.02Å; L358-V367 HydrophobicContact CG-CG2 4.34Å; K359-V367 CarbonylContact O-C 3.56Å; K359-V367 VanDerWaalsContact O-CA 3.32Å; K359-V367 WeakPolarHBondContact O-CA 3.46Å; I360-V367 HydrophobicContact CG1-CB 4.25Å; I360-V367 HydrophobicContact CG1-CG2 4.08Å; V367-V376 HydrophobicContact CB-CG1 4.34Å; V367-V376 HydrophobicContact CG1-CG1 4.05Å; V367-V376 HydrophobicContact CG2-CG1 3.99Å; V367-I532 HydrophobicContact CG1-CB 4.41Å; V367-I532 HydrophobicContact CG1-CD1 4.03Å; V367-I532 HydrophobicContact CG1-CG2 3.8Å; V367-L534 HydrophobicContact CB-CD1 4.42Å; V367-L534 HydrophobicContact CG1-CD1 4.03Å; V367-L534 HydrophobicContact CG2-CD1 4Å; V367-L534 VanDerWaalsContact O-CD1 3.3Å; V367-L534 WeakPolarHBondContact O-CD1 3.37Å; V367-T539 WeakPolarHBondContact O-CA 3.16Å; V367-V540 HydrophobicContact CG1-CG2 3.84Å; V367-V540 PolarHBondContact N-O 3.45Å; V367-V540 PolarHBondContact O-N 3.39Å
368	T	97.4	Very high	93.6	Very high	41 Å²	41	41.5 Å²	41.5	25%	0.252	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.6	178.2	-57	0	0	0	0	110.1	K359 C538 T539	K359-T368 PolarHBondContact N-O 2.93Å; K359-T368 PolarHBondContact O-N 3.26Å; T368-C538 WeakPolarHBondContact CA-O 3.35Å; T368-T539 VanDerWaalsContact CG2-OG1 3.29Å; T368-T539 WeakPolarHBondContact CG2-OG1 3.45Å; T368-T539 WeakPolarHBondContact OG1-CG2 3.29Å; T368-T539 PolarHBondContact OG1-OG1 3.22Å
369	G	94.5	Very high	93.6	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.031	22%	0.224	C	C	.	.			trans	-78.6	175.7	173.3	0	0	0	0	0	113.1	K536 S537 C538	G369-K536 CarbonylContact C-O 3.55Å; G369-K536 WeakPolarHBondContact CA-O 3.43Å; G369-S537 WeakPolarHBondContact O-CA 3.48Å; G369-C538 PolarHBondContact N-O 2.95Å
370	E	90	Very high	93.7	Very high	82 Å²	82	37 Å²	37	38%	0.383	20%	0.2	S	C	.	.			trans	-135.3	-71.7	-179.9	-168.1	-168.3	-145.2	0	0	113.3	K536	E370-K536 PolarHBondContact N-O 3.48Å; E370-K536 CarbonylContact O-C 3.49Å; E370-K536 WeakPolarHBondContact O-CA 3.47Å
371	K	89	Confident	93.8	Very high	153 Å²	153	36.1 Å²	36.1	67%	0.665	20%	0.199	S	C	*	.	S	Bend	trans	-108.3	-100.3	-176.5	-64	-179.8	-174	173.1	0	111.5	K536	K371-K536 WeakPolarHBondContact O-CA 3.31Å; K371-K536 VanDerWaalsContact O-CG 3.24Å; K371-K536 WeakPolarHBondContact O-CG 3.42Å; K371-K536 PolarHBondContact O-N 3.43Å
372	G	93.9	Very high	94.2	Very high	34 Å²	34	34.3 Å²	34.3	35%	0.351	19%	0.186	S	C	.	.	S	Bend	trans	-73.8	-176.8	179.1	0	0	0	0	0	112.4	S374	G372-S374 PolarHBondContact O-N 2.86Å
373	Y	96	Very high	94.8	Very high	49 Å²	49	28.5 Å²	28.5	19%	0.192	15%	0.153	C	C	.	.			trans	-63.4	138.1	168.6	-84.2	-81.7	0	0	0	109.8	A401 R403 P416 L534 Y535	Y373-A401 WeakPolarHBondContact OH-CB 3.5Å; Y373-R403 HydrophobicContact CE1-CG 4.06Å; Y373-P416 HydrophobicContact CD1-CB 3.67Å; Y373-P416 HydrophobicContact CD2-CB 4.1Å; Y373-P416 HydrophobicContact CD2-CG 4.45Å; Y373-P416 HydrophobicContact CE1-CB 4.15Å; Y373-P416 HydrophobicContact CG-CB 3.61Å; Y373-P416 HydrophobicContact CG-CG 4.28Å; Y373-L534 WeakPolarHBondContact CA-O 3.36Å; Y373-Y535 AromaticContact CD2-CD2 3.51Å; Y373-Y535 HydrophobicContact CD2-CD2 3.51Å; Y373-Y535 HydrophobicContact CD2-CE2 4.37Å; Y373-Y535 HydrophobicContact CD2-CG 4.02Å; Y373-Y535 AromaticContact CE2-CD2 3.69Å; Y373-Y535 HydrophobicContact CE2-CD2 3.69Å; Y373-Y535 AromaticContact CE2-CG 3.79Å; Y373-Y535 HydrophobicContact CE2-CG 3.79Å; Y373-Y535 HydrophobicContact CG-CD2 4.11Å
374	S	96.3	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.9	175.2	44.8	0	0	0	0	108.7	L358 G372 S533 L534	L358-S374 WeakPolarHBondContact CD2-OG 3.35Å; L358-S374 WeakPolarHBondContact CG-OG 3.37Å; G372-S374 PolarHBondContact O-N 2.86Å; S374-S533 CarbonylContact O-C 3.59Å; S374-S533 WeakPolarHBondContact O-CA 3.49Å; S374-S533 WeakPolarHBondContact O-CB 3.44Å; S374-S533 PolarHBondContact O-OG 3.18Å; S374-L534 PolarHBondContact N-O 2.82Å; S374-L534 PolarHBondContact O-N 2.87Å
375	M	97	Very high	95.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.9	-170.8	-178.1	173.8	78	0	0	112.2	R354 A355 L358 R377 L413 L417 A531 I532	R354-M375 WeakPolarHBondContact CA-O 3.34Å; A355-M375 PolarHBondContact N-O 3.07Å; L358-M375 WeakPolarHBondContact CD1-O 3.17Å; M375-R377 VanDerWaalsContact CE-NH1 3.32Å; M375-L413 HydrophobicContact CB-CD2 4.46Å; M375-L413 HydrophobicContact CE-CD2 3.89Å; M375-L413 HydrophobicContact CG-CD2 4.44Å; M375-L413 PolarHBondContact N-O 3.42Å; M375-L417 HydrophobicContact SD-CB 4.06Å; M375-L417 HydrophobicContact SD-CD1 3.27Å; M375-L417 WeakPolarHBondContact SD-CD1 3.27Å; M375-L417 HydrophobicContact SD-CG 4.24Å; M375-A531 HydrophobicContact SD-CB 4.43Å; M375-I532 CarbonylContact C-O 3.56Å; M375-I532 VanDerWaalsContact CA-O 3.23Å; M375-I532 WeakPolarHBondContact CA-O 3.31Å; M375-I532 WeakPolarHBondContact CG-O 3.36Å
376	V	97.9	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	145.4	168.2	57	0	0	0	0	108.9	L349 R354 L358 I360 V367 A531 I532	L349-V376 HydrophobicContact CB-CG2 4.1Å; L349-V376 HydrophobicContact CD2-CG1 4.24Å; L349-V376 HydrophobicContact CD2-CG2 4.23Å; R354-V376 HydrophobicContact CB-CB 3.81Å; R354-V376 HydrophobicContact CB-CG2 3.76Å; L358-V376 HydrophobicContact CD1-CB 3.78Å; L358-V376 HydrophobicContact CD1-CG1 4.01Å; I360-V376 HydrophobicContact CD1-CG2 3.92Å; V367-V376 HydrophobicContact CB-CG1 4.34Å; V367-V376 HydrophobicContact CG1-CG1 4.05Å; V367-V376 HydrophobicContact CG2-CG1 3.99Å; V376-A531 WeakPolarHBondContact O-CA 3.43Å; V376-I532 HydrophobicContact CG1-CB 3.99Å; V376-I532 PolarHBondContact N-O 2.91Å; V376-I532 PolarHBondContact O-N 3.38Å
377	R	97.7	Very high	95.9	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	157.7	170.4	-73.9	-179	-72.1	-101.5	4	111.5	A350 D353 M375 P409 G411 F529 P530 A531	A350-R377 WeakPolarHBondContact CB-O 3.16Å; A350-R377 PolarHBondContact N-O 3.37Å; D353-R377 PolarHBondContact O-N 2.59Å; D353-R377 VanDerWaalsContact O-N 3.15Å; D353-R377 IonicContact OD1-CZ 3.32Å; D353-R377 IonicContact OD1-NE 3.97Å; D353-R377 IonicContact OD1-NH2 2.95Å; D353-R377 PolarHBondContact OD1-NH2 2.8Å; D353-R377 IonicContact OD2-CZ 2.69Å; D353-R377 VanDerWaalsContact OD2-CZ 3.29Å; D353-R377 IonicContact OD2-NE 2.82Å; D353-R377 PolarHBondContact OD2-NE 2.82Å; D353-R377 IonicContact OD2-NH2 3.93Å; D353-R377 PolarHBondContact OD2-NH2 3.27Å; D353-R377 VanDerWaalsContact OD2-NH2 3.12Å; M375-R377 VanDerWaalsContact CE-NH1 3.32Å; R377-P409 VanDerWaalsContact CZ-O 3.23Å; R377-P409 PolarHBondContact NH1-O 3.42Å; R377-P409 PolarHBondContact NH2-O 2.92Å; R377-G411 PolarHBondContact NH1-O 2.77Å; R377-F529 HydrophobicContact CB-CB 4.13Å; R377-F529 HydrophobicContact CG-CB 4.21Å; R377-P530 CarbonylContact C-O 3.46Å; R377-P530 WeakPolarHBondContact CA-O 3.22Å; R377-A531 HydrophobicContact CG-CB 4.05Å
378	A	97.4	Very high	95.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	160.3	164.8	0	0	0	0	0	110.8	V347 L348 H380 F529 P530 F544	V347-A378 HydrophobicContact CG1-CB 4.13Å; L348-A378 CarbonylContact O-C 3.46Å; L348-A378 WeakPolarHBondContact O-CA 3.44Å; A378-H380 PolarHBondContact O-N 2.8Å; A378-F529 WeakPolarHBondContact O-CD1 3.25Å; A378-P530 HydrophobicContact CB-CB 3.94Å; A378-P530 HydrophobicContact CB-CG 4.06Å; A378-P530 PolarHBondContact N-O 3.23Å; A378-F544 HydrophobicContact CB-CE1 3.77Å; A378-F544 HydrophobicContact CB-CZ 3.76Å
379	S	94.1	Very high	96	Very high	27 Å²	27	25.9 Å²	25.9	19%	0.189	14%	0.138	C	C	.	.	S	Bend	trans	-66.7	-23.8	176.8	40.4	0	0	0	0	113.9	L348	L348-S379 PolarHBondContact N-OG 3.42Å; L348-S379 WeakPolarHBondContact O-CB 3.41Å; L348-S379 PolarHBondContact O-N 3.47Å; L348-S379 PolarHBondContact O-OG 3.27Å
380	H	95.1	Very high	96.2	Very high	10 Å²	10	25.9 Å²	25.9	5%	0.046	14%	0.137	C	C	.	.			trans	-125.1	145.6	-174.2	-63.6	78.8	0	0	0	110.6	Y344 V347 A378 F529 M563 A567	Y344-H380 PolarHBondContact O-CE1 3.22Å; Y344-H380 PolarHBondContact O-NE2 3.02Å; V347-H380 HydrophobicContact CG1-CB 4.15Å; V347-H380 HydrophobicContact CG2-CB 3.91Å; A378-H380 PolarHBondContact O-N 2.8Å; H380-F529 VanDerWaalsContact C-CE1 3.49Å; H380-F529 VanDerWaalsContact O-CD1 3.25Å; H380-F529 WeakPolarHBondContact O-CD1 3.18Å; H380-M563 HydrophobicContact CB-CB 4.1Å; H380-A567 VanDerWaalsContact CD2-CB 3.46Å; H380-A567 WeakPolarHBondContact CD2-CB 3.46Å
381	G	96.2	Very high	96.6	Very high	13 Å²	13	22 Å²	22	13%	0.134	12%	0.119	C	C	.	.			trans	-128.2	156.4	179.1	0	0	0	0	0	111.4	Y528 F529	G381-Y528 CarbonylContact C-O 3.55Å; G381-Y528 WeakPolarHBondContact CA-O 3.33Å; G381-F529 VanDerWaalsContact N-CE1 3.27Å
382	V	97.4	Very high	97.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-109.2	142.8	-177.9	-63.5	0	0	0	0	109.9	W387 W406 I456 L458 I527 Y528 M560 M563	V382-W387 HydrophobicContact CB-CD2 4.34Å; V382-W387 HydrophobicContact CB-CG 4.01Å; V382-W387 HydrophobicContact CG1-CB 4.14Å; V382-W387 HydrophobicContact CG1-CD2 3.46Å; V382-W387 VanDerWaalsContact CG1-CD2 3.46Å; V382-W387 HydrophobicContact CG1-CE3 4.08Å; V382-W387 HydrophobicContact CG1-CG 3.47Å; V382-W387 VanDerWaalsContact CG1-CG 3.47Å; V382-W387 HydrophobicContact CG1-CZ2 4.33Å; V382-W387 HydrophobicContact CG2-CG 4.27Å; V382-W406 HydrophobicContact CG2-CH2 4.27Å; V382-W406 HydrophobicContact CG2-CZ3 3.82Å; V382-I456 HydrophobicContact CG2-CG2 3.93Å; V382-L458 HydrophobicContact CG2-CD1 4.04Å; V382-I527 CarbonylContact O-C 3.53Å; V382-I527 WeakPolarHBondContact O-CA 3.03Å; V382-Y528 PolarHBondContact N-O 2.99Å; V382-Y528 PolarHBondContact O-N 3.27Å; V382-M560 HydrophobicContact CG1-CE 3.83Å; V382-M560 HydrophobicContact CG1-SD 3.57Å; V382-M560 VanDerWaalsContact CG1-SD 3.57Å; V382-M563 HydrophobicContact CG1-CG 3.6Å; V382-M563 HydrophobicContact CG1-SD 4Å
383	R	95.8	Very high	97.3	Very high	29 Å²	29	14.6 Å²	14.6	11%	0.109	8%	0.08	C	C	.	.			trans	-121.7	-11.5	-178.9	67.5	-174.3	-171.4	-81	-5.4	115.1	T464 A467 I527 E570	R383-T464 HydrophobicContact CB-CG2 4.11Å; R383-T464 VanDerWaalsContact CD-O 3.23Å; R383-T464 WeakPolarHBondContact CD-O 3.35Å; R383-A467 PolarHBondContact NE-O 3.35Å; R383-A467 PolarHBondContact NH2-O 2.97Å; R383-I527 HydrophobicContact CB-CG1 4.16Å; R383-E570 IonicContact CZ-OE1 2.81Å; R383-E570 IonicContact CZ-OE2 2.65Å; R383-E570 IonicContact NH1-OE1 2.87Å; R383-E570 PolarHBondContact NH1-OE1 3.44Å; R383-E570 IonicContact NH1-OE2 3.71Å; R383-E570 PolarHBondContact NH1-OE2 2.91Å; R383-E570 IonicContact NH2-OE1 3.28Å; R383-E570 PolarHBondContact NH2-OE1 3.32Å; R383-E570 IonicContact NH2-OE2 3.54Å; R383-E570 PolarHBondContact NH2-OE2 3.01Å
384	K	95.8	Very high	97.3	Very high	77 Å²	77	15.2 Å²	15.2	34%	0.335	9%	0.087	S	C	.	.	S	Bend	trans	-159.9	169	-179.1	69	-177.8	173.1	-166.7	0	110.7	W387 D460 A465	K384-W387 PolarHBondContact O-NE1 2.88Å; K384-D460 WeakPolarHBondContact CB-OD1 3.45Å; K384-A465 HydrophobicContact CB-CB 3.66Å; K384-A465 HydrophobicContact CD-CB 4Å; K384-A465 HydrophobicContact CG-CB 4.43Å; K384-A465 PolarHBondContact NZ-O 3.24Å
385	G	96.9	Very high	97.4	Very high	18 Å²	18	18.2 Å²	18.2	19%	0.186	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	-168.5	178.6	0	0	0	0	0	114.5	E457 L458 D460	G385-E457 WeakPolarHBondContact O-CA 3.43Å; G385-L458 PolarHBondContact N-O 2.83Å; G385-L458 PolarHBondContact O-N 3.26Å; G385-D460 PolarHBondContact N-OD1 3.5Å
386	A	98.1	Very high	97.4	Very high	21 Å²	21	19.6 Å²	19.6	17%	0.174	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.4	-172.3	0	0	0	0	0	111.3	F455 I456 E457 Y557 Q558	A386-F455 HydrophobicContact CB-CE2 3.82Å; A386-F455 HydrophobicContact CB-CZ 3.8Å; A386-I456 CarbonylContact C-O 3.59Å; A386-I456 WeakPolarHBondContact CA-O 3.23Å; A386-E457 HydrophobicContact CB-CG 4.35Å; A386-Y557 CarbonylContact O-C 3.39Å; A386-Y557 WeakPolarHBondContact O-CA 3.15Å; A386-Q558 PolarHBondContact O-N 2.79Å
387	W	98.6	Very high	97.2	Very high	20 Å²	20	21.5 Å²	21.5	8%	0.076	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151	-168.4	-61.9	88.9	0	0	0	113.1	V382 K384 W406 F455 I456 Q558 P559 M560 D562 M563	V382-W387 HydrophobicContact CB-CD2 4.34Å; V382-W387 HydrophobicContact CB-CG 4.01Å; V382-W387 HydrophobicContact CG1-CB 4.14Å; V382-W387 HydrophobicContact CG1-CD2 3.46Å; V382-W387 VanDerWaalsContact CG1-CD2 3.46Å; V382-W387 HydrophobicContact CG1-CE3 4.08Å; V382-W387 HydrophobicContact CG1-CG 3.47Å; V382-W387 VanDerWaalsContact CG1-CG 3.47Å; V382-W387 HydrophobicContact CG1-CZ2 4.33Å; V382-W387 HydrophobicContact CG2-CG 4.27Å; K384-W387 PolarHBondContact O-NE1 2.88Å; W387-W406 HydrophobicContact CB-CH2 4.4Å; W387-F455 CarbonylContact O-C 3.6Å; W387-F455 VanDerWaalsContact O-CA 3.28Å; W387-F455 WeakPolarHBondContact O-CA 3.42Å; W387-F455 WeakPolarHBondContact O-CD2 3.47Å; W387-I456 HydrophobicContact CB-CG2 3.94Å; W387-I456 PolarHBondContact N-O 3.23Å; W387-I456 PolarHBondContact O-N 2.94Å; W387-Q558 CarbonylContact C-O 3.4Å; W387-Q558 VanDerWaalsContact CA-O 3.31Å; W387-Q558 WeakPolarHBondContact CA-O 3.38Å; W387-Q558 HydrophobicContact CD2-CB 4.08Å; W387-Q558 HydrophobicContact CE3-CB 3.62Å; W387-Q558 HydrophobicContact CH2-CB 4.06Å; W387-Q558 HydrophobicContact CZ3-CB 3.6Å; W387-P559 WeakPolarHBondContact CZ3-O 3.36Å; W387-M560 HydrophobicContact CB-SD 3.98Å; W387-M560 HydrophobicContact CD2-SD 4.46Å; W387-M560 HydrophobicContact CE3-SD 4.2Å; W387-M560 HydrophobicContact CG-SD 4.4Å; W387-D562 HydrophobicContact CZ3-CB 4.14Å; W387-M563 HydrophobicContact CD2-CG 4.4Å; W387-M563 HydrophobicContact CE3-CG 3.94Å; W387-M563 HydrophobicContact CE3-SD 4.49Å; W387-M563 HydrophobicContact CH2-CG 3.54Å; W387-M563 HydrophobicContact CH2-SD 3.17Å; W387-M563 WeakPolarHBondContact CH2-SD 3.41Å; W387-M563 HydrophobicContact CZ2-CG 4.01Å; W387-M563 HydrophobicContact CZ2-SD 3.27Å; W387-M563 WeakPolarHBondContact CZ2-SD 3.47Å; W387-M563 HydrophobicContact CZ3-CB 4.43Å; W387-M563 HydrophobicContact CZ3-CG 3.49Å; W387-M563 VanDerWaalsContact CZ3-CG 3.49Å; W387-M563 HydrophobicContact CZ3-SD 3.83Å
388	Y	98.8	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.9	-178.8	-177.3	-101.7	0	0	0	113.4	E390 G453 F454 F455 Y510 F548 Y550 P552 Y557 Q558 M560	Y388-E390 HydrophobicContact CE1-CG 3.65Å; Y388-E390 WeakPolarHBondContact OH-CG 3.23Å; Y388-E390 PolarHBondContact OH-OE1 3.11Å; Y388-G453 VanDerWaalsContact CE2-CA 3.45Å; Y388-G453 WeakPolarHBondContact OH-CA 3.5Å; Y388-F454 WeakPolarHBondContact CA-O 3.47Å; Y388-F455 HydrophobicContact CD2-CB 4.13Å; Y388-Y510 HydrophobicContact CE2-CD2 4.08Å; Y388-F548 AromaticContact CD1-CD1 4Å; Y388-F548 HydrophobicContact CD1-CD1 4Å; Y388-F548 HydrophobicContact CD1-CD2 4.13Å; Y388-F548 AromaticContact CD1-CE1 3.73Å; Y388-F548 HydrophobicContact CD1-CE1 3.73Å; Y388-F548 AromaticContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CG 4.17Å; Y388-F548 AromaticContact CD1-CZ 3.66Å; Y388-F548 HydrophobicContact CD1-CZ 3.66Å; Y388-F548 HydrophobicContact CE1-CB 4.49Å; Y388-F548 AromaticContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD2 4.21Å; Y388-F548 AromaticContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE2 4.4Å; Y388-F548 AromaticContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CZ 4.25Å; Y388-Y550 PolarHBondContact OH-O 3.08Å; Y388-P552 HydrophobicContact CD1-CG 4.18Å; Y388-P552 HydrophobicContact CD2-CG 3.62Å; Y388-P552 VanDerWaalsContact CE1-CD 3.45Å; Y388-P552 HydrophobicContact CE1-CG 3.97Å; Y388-P552 HydrophobicContact CE2-CG 3.35Å; Y388-P552 HydrophobicContact CG-CG 4.01Å; Y388-P552 VanDerWaalsContact CZ-CD 3.42Å; Y388-Y557 HydrophobicContact CD1-CD2 4.33Å; Y388-Y557 AromaticContact CD1-CE2 3.97Å; Y388-Y557 HydrophobicContact CD1-CE2 3.97Å; Y388-Y557 HydrophobicContact CG-CD2 4.16Å; Y388-Y557 HydrophobicContact CG-CE2 4.26Å; Y388-Y557 HydrophobicContact CG-CG 4.48Å; Y388-Q558 PolarHBondContact N-O 2.69Å; Y388-M560 PolarHBondContact O-N 2.98Å
389	F	98.9	Very high	96.8	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	165.6	166	72.5	-81	0	0	0	111.5	V391 W406 F454 P530 V542 F544 M560	F389-V391 HydrophobicContact CD2-CG2 3.94Å; F389-V391 HydrophobicContact CE2-CG2 3.49Å; F389-V391 VanDerWaalsContact CE2-CG2 3.49Å; F389-W406 AromaticContact CD1-CH2 3.83Å; F389-W406 HydrophobicContact CD1-CH2 3.83Å; F389-W406 AromaticContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CE1-CD2 4.13Å; F389-W406 AromaticContact CE1-CE2 3.58Å; F389-W406 HydrophobicContact CE1-CE3 4.47Å; F389-W406 AromaticContact CE1-CH2 3.85Å; F389-W406 HydrophobicContact CE1-CH2 3.85Å; F389-W406 AromaticContact CE1-CZ2 3.43Å; F389-W406 HydrophobicContact CE1-CZ2 3.43Å; F389-W406 VanDerWaalsContact CE1-CZ2 3.43Å; F389-W406 HydrophobicContact CE1-CZ3 4.37Å; F389-F454 HydrophobicContact CD1-CB 3.82Å; F389-F454 HydrophobicContact CD2-CD2 4.27Å; F389-F454 HydrophobicContact CE1-CB 3.36Å; F389-F454 HydrophobicContact CE1-CD2 4.43Å; F389-F454 HydrophobicContact CE1-CG 4.04Å; F389-F454 HydrophobicContact CE2-CB 4.2Å; F389-F454 AromaticContact CE2-CD2 3.74Å; F389-F454 HydrophobicContact CE2-CD2 3.74Å; F389-F454 HydrophobicContact CE2-CE2 4.49Å; F389-F454 HydrophobicContact CE2-CG 4.13Å; F389-F454 HydrophobicContact CG-CB 4.41Å; F389-F454 HydrophobicContact CZ-CB 3.56Å; F389-F454 HydrophobicContact CZ-CD1 4.48Å; F389-F454 AromaticContact CZ-CD2 3.81Å; F389-F454 HydrophobicContact CZ-CD2 3.81Å; F389-F454 AromaticContact CZ-CG 3.69Å; F389-F454 HydrophobicContact CZ-CG 3.69Å; F389-F454 PolarHBondContact N-O 2.96Å; F389-F454 VanDerWaalsContact N-O 3.16Å; F389-F454 PolarHBondContact O-N 3.46Å; F389-P530 HydrophobicContact CD1-CB 3.94Å; F389-P530 HydrophobicContact CD1-CG 3.84Å; F389-P530 HydrophobicContact CD2-CB 4.2Å; F389-P530 HydrophobicContact CE1-CB 3.59Å; F389-P530 HydrophobicContact CE1-CG 3.85Å; F389-P530 HydrophobicContact CE2-CB 3.86Å; F389-P530 HydrophobicContact CG-CB 4.24Å; F389-P530 HydrophobicContact CG-CG 4.31Å; F389-P530 HydrophobicContact CZ-CB 3.57Å; F389-P530 HydrophobicContact CZ-CG 4.34Å; F389-V542 HydrophobicContact CD2-CG2 3.89Å; F389-V542 HydrophobicContact CE2-CG2 4.39Å; F389-F544 HydrophobicContact CB-CD1 4.22Å; F389-M560 HydrophobicContact CB-CB 4.12Å; F389-M560 HydrophobicContact CB-CG 3.78Å; F389-M560 HydrophobicContact CD1-CG 4.09Å; F389-M560 HydrophobicContact CG-CG 4.31Å
390	E	98.8	Very high	96.9	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.7	175.5	-73.4	-179.4	165.8	0	0	112.5	Y388 T451 L452 V542 N543 F548 K549 Y550	Y388-E390 HydrophobicContact CE1-CG 3.65Å; Y388-E390 WeakPolarHBondContact OH-CG 3.23Å; Y388-E390 PolarHBondContact OH-OE1 3.11Å; E390-T451 HydrophobicContact CB-CG2 4.09Å; E390-T451 HydrophobicContact CG-CG2 4.22Å; E390-L452 CarbonylContact C-O 3.49Å; E390-L452 VanDerWaalsContact CA-O 3.22Å; E390-L452 WeakPolarHBondContact CA-O 3.26Å; E390-V542 WeakPolarHBondContact O-CA 3.26Å; E390-V542 WeakPolarHBondContact O-CG2 3.41Å; E390-N543 HydrophobicContact CB-CB 4.22Å; E390-N543 PolarHBondContact N-O 3.33Å; E390-N543 PolarHBondContact O-N 2.9Å; E390-F548 HydrophobicContact CB-CD1 4.26Å; E390-F548 HydrophobicContact CG-CD1 3.76Å; E390-F548 HydrophobicContact CG-CE1 4.49Å; E390-F548 HydrophobicContact CG-CG 4.49Å; E390-K549 PolarHBondContact OE2-N 3.33Å; E390-Y550 WeakPolarHBondContact OE1-CA 3.44Å; E390-Y550 PolarHBondContact OE1-N 2.95Å; E390-Y550 VanDerWaalsContact OE1-O 3.09Å
391	V	98.9	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126	167.7	-175.6	0	0	0	0	108.9	F389 L404 L452 F454 I532 V540 S541 V542	F389-V391 HydrophobicContact CD2-CG2 3.94Å; F389-V391 HydrophobicContact CE2-CG2 3.49Å; F389-V391 VanDerWaalsContact CE2-CG2 3.49Å; V391-L404 HydrophobicContact CB-CD1 4.19Å; V391-L404 HydrophobicContact CG1-CD1 3.87Å; V391-L404 HydrophobicContact CG1-CD2 4.2Å; V391-L452 PolarHBondContact N-O 2.88Å; V391-L452 PolarHBondContact O-N 3.2Å; V391-F454 HydrophobicContact CB-CE2 3.95Å; V391-F454 HydrophobicContact CG2-CD2 4.1Å; V391-F454 HydrophobicContact CG2-CE2 3.76Å; V391-I532 HydrophobicContact CG2-CD1 4.49Å; V391-V540 HydrophobicContact CG1-CB 3.75Å; V391-V540 HydrophobicContact CG1-CG1 4.43Å; V391-V540 HydrophobicContact CG1-CG2 3.95Å; V391-S541 CarbonylContact C-O 3.57Å; V391-S541 WeakPolarHBondContact CA-O 3.38Å; V391-V542 HydrophobicContact CG2-CG2 4.34Å
392	T	98.8	Very high	97.1	Very high	33 Å²	33	31 Å²	31	20%	0.202	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.4	171.8	-61	0	0	0	0	109.9	D394 T451 V540 S541	T392-D394 PolarHBondContact O-N 2.82Å; T392-T451 WeakPolarHBondContact OG1-CG2 3.43Å; T392-T451 PolarHBondContact OG1-OG1 3.27Å; T392-V540 CarbonylContact O-C 3.53Å; T392-V540 VanDerWaalsContact O-CA 3.27Å; T392-V540 WeakPolarHBondContact O-CA 3.27Å; T392-V540 WeakPolarHBondContact O-CB 3.48Å; T392-S541 PolarHBondContact N-O 3.47Å; T392-S541 PolarHBondContact O-N 3.48Å
393	V	98.7	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	101.6	174.9	-176.5	0	0	0	0	109.1	M396 Y446 G447 G449 D450 V540	V393-M396 HydrophobicContact CG1-CB 3.89Å; V393-M396 HydrophobicContact CG1-CE 3.51Å; V393-M396 HydrophobicContact CG1-SD 4.46Å; V393-M396 HydrophobicContact CG2-CE 4.36Å; V393-Y446 HydrophobicContact CG2-CD2 4.1Å; V393-Y446 HydrophobicContact CG2-CE2 4.14Å; V393-G447 WeakPolarHBondContact CB-O 3.24Å; V393-G449 PolarHBondContact O-N 2.94Å; V393-D450 PolarHBondContact N-O 3.44Å; V393-V540 HydrophobicContact CG1-CG1 4.49Å; V393-V540 HydrophobicContact CG2-CG1 4.36Å
394	D	97.1	Very high	97.3	Very high	61 Å²	61	30.7 Å²	30.7	33%	0.326	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-45.6	-173.2	-51.9	-49.4	0	0	0	112	T392 Q448 T539 S541	T392-D394 PolarHBondContact O-N 2.82Å; D394-Q448 WeakPolarHBondContact O-CG 2.95Å; D394-Q448 PolarHBondContact O-NE2 2.96Å; D394-Q448 VanDerWaalsContact O-NE2 3.09Å; D394-T539 HydrophobicContact CB-CG2 4.36Å; D394-T539 PolarHBondContact N-O 2.94Å; D394-T539 VanDerWaalsContact N-O 3.07Å; D394-S541 VanDerWaalsContact OD2-CB 3.23Å; D394-S541 WeakPolarHBondContact OD2-CB 3.32Å; D394-S541 PolarHBondContact OD2-N 3.09Å; D394-S541 PolarHBondContact OD2-OG 2.91Å
395	D	97.2	Very high	97.5	Very high	63 Å²	63	27 Å²	27	34%	0.337	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	127	178.7	-171.4	29.4	0	0	0	111	P397 C538 T539	D395-P397 WeakPolarHBondContact OD2-CG 3.11Å; D395-C538 WeakPolarHBondContact O-CA 3.42Å; D395-C538 PolarHBondContact O-SG 3.39Å; D395-C538 VanDerWaalsContact O-SG 3.37Å; D395-T539 PolarHBondContact N-O 3.41Å; D395-T539 VanDerWaalsContact N-O 3.15Å; D395-T539 PolarHBondContact O-N 3.4Å
396	M	96.6	Very high	97.6	Very high	31 Å²	31	26.2 Å²	26.2	15%	0.153	15%	0.146	C	C	.	.			trans	-138.8	76.4	177.4	-168.5	176.2	-76.5	0	0	110.3	V393 T400 A402 Y446 Q448	V393-M396 HydrophobicContact CG1-CB 3.89Å; V393-M396 HydrophobicContact CG1-CE 3.51Å; V393-M396 HydrophobicContact CG1-SD 4.46Å; V393-M396 HydrophobicContact CG2-CE 4.36Å; M396-T400 VanDerWaalsContact CG-OG1 3.25Å; M396-T400 WeakPolarHBondContact CG-OG1 3.37Å; M396-A402 HydrophobicContact CE-CB 3.87Å; M396-Y446 HydrophobicContact CE-CE2 4.36Å; M396-Q448 HydrophobicContact CB-CB 4.19Å
397	P	95.2	Very high	97.6	Very high	40 Å²	40	25.2 Å²	25.2	26%	0.26	14%	0.138	S	C	.	.			trans	-58.3	163.3	178.3	-23.5	32.9	0	0	0	112.8	D395 T400	D395-P397 WeakPolarHBondContact OD2-CG 3.11Å; P397-T400 HydrophobicContact CB-CG2 3.97Å; P397-T400 HydrophobicContact CG-CG2 4.22Å; P397-T400 WeakPolarHBondContact O-CB 3.16Å; P397-T400 WeakPolarHBondContact O-CG2 3.48Å; P397-T400 PolarHBondContact O-N 3.06Å; P397-T400 VanDerWaalsContact O-N 3.17Å; P397-T400 PolarHBondContact O-OG1 3.15Å
398	P	93.6	Very high	97.5	Very high	123 Å²	123	24.9 Å²	24.9	80%	0.799	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	146.7	172.7	-25.5	34.7	0	0	0	112	T400	P398-T400 PolarHBondContact O-N 3.07Å; P398-T400 VanDerWaalsContact O-N 3.13Å
399	E	92.9	Very high	97.3	Very high	121 Å²	121	26.6 Å²	26.6	57%	0.565	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	14.9	-177.4	-62.2	-53.8	110.8	0	0	116.5	K429 Y535 K536	E399-K429 IonicContact OE1-NZ 3.1Å; E399-K429 IonicContact OE2-NZ 2.76Å; E399-Y535 WeakPolarHBondContact O-CE1 3.5Å; E399-K536 WeakPolarHBondContact O-CD 3.1Å; E399-K536 PolarHBondContact O-NZ 2.92Å
400	T	96.6	Very high	97.1	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.043	16%	0.157	C	C	.	.			trans	-98	165.6	165.7	72.3	0	0	0	0	111.2	M396 P397 P398 K429 Y535 K536	M396-T400 VanDerWaalsContact CG-OG1 3.25Å; M396-T400 WeakPolarHBondContact CG-OG1 3.37Å; P397-T400 HydrophobicContact CB-CG2 3.97Å; P397-T400 HydrophobicContact CG-CG2 4.22Å; P397-T400 WeakPolarHBondContact O-CB 3.16Å; P397-T400 WeakPolarHBondContact O-CG2 3.48Å; P397-T400 PolarHBondContact O-N 3.06Å; P397-T400 VanDerWaalsContact O-N 3.17Å; P397-T400 PolarHBondContact O-OG1 3.15Å; P398-T400 PolarHBondContact O-N 3.07Å; P398-T400 VanDerWaalsContact O-N 3.13Å; T400-K429 VanDerWaalsContact O-CE 3.26Å; T400-K429 WeakPolarHBondContact O-CE 3.48Å; T400-Y535 WeakPolarHBondContact CB-O 3.38Å; T400-K536 HydrophobicContact CG2-CB 3.96Å
401	A	96.9	Very high	96.9	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	154.5	173.6	0	0	0	0	0	110.6	Y373 K429 Y535	Y373-A401 WeakPolarHBondContact OH-CB 3.5Å; A401-K429 HydrophobicContact CB-CD 4.48Å; A401-K429 HydrophobicContact CB-CG 4.42Å; A401-Y535 PolarHBondContact N-O 2.91Å; A401-Y535 WeakPolarHBondContact O-CB 3.45Å; A401-Y535 PolarHBondContact O-N 2.81Å
402	A	98.2	Very high	96.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.8	173	0	0	0	0	0	110.2	M396 L404 R427 S428 Y446 S533 L534	M396-A402 HydrophobicContact CE-CB 3.87Å; A402-L404 HydrophobicContact CB-CD2 4.29Å; A402-L404 HydrophobicContact CB-CG 4.24Å; A402-R427 WeakPolarHBondContact O-CA 3.31Å; A402-S428 PolarHBondContact N-OG 3.39Å; A402-S428 VanDerWaalsContact N-OG 3.12Å; A402-S428 PolarHBondContact O-N 2.98Å; A402-Y446 PolarHBondContact O-OH 3.22Å; A402-S533 CarbonylContact C-O 3.58Å; A402-S533 WeakPolarHBondContact CA-O 3.45Å; A402-L534 HydrophobicContact CB-CD2 3.97Å
403	R	98.6	Very high	96.5	Very high	24 Å²	24	31 Å²	31	9%	0.091	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.9	165	-69.2	-169.2	-168.7	-169.3	-0.6	109	Y373 L417 W426 R427 S533	Y373-R403 HydrophobicContact CE1-CG 4.06Å; R403-L417 HydrophobicContact CB-CB 4.13Å; R403-L417 WeakPolarHBondContact CD-O 3.31Å; R403-L417 PolarHBondContact NH1-O 3.11Å; R403-L417 VanDerWaalsContact NH1-O 3.16Å; R403-W426 VanDerWaalsContact CA-O 3.27Å; R403-W426 WeakPolarHBondContact CA-O 3.41Å; R403-R427 HydrophobicContact CG-CB 4.05Å; R403-R427 HydrophobicContact CG-CG 4.06Å; R403-S533 PolarHBondContact N-O 3.46Å; R403-S533 PolarHBondContact O-N 3.47Å
404	L	98.8	Very high	96.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142	-169.6	-54.6	174.7	0	0	0	109	V391 A402 S425 W426 Y446 L452 F454 I532 V540	V391-L404 HydrophobicContact CB-CD1 4.19Å; V391-L404 HydrophobicContact CG1-CD1 3.87Å; V391-L404 HydrophobicContact CG1-CD2 4.2Å; A402-L404 HydrophobicContact CB-CD2 4.29Å; A402-L404 HydrophobicContact CB-CG 4.24Å; L404-S425 CarbonylContact O-C 3.58Å; L404-S425 WeakPolarHBondContact O-CA 3.49Å; L404-W426 PolarHBondContact N-O 3.19Å; L404-W426 PolarHBondContact O-N 3.32Å; L404-Y446 HydrophobicContact CD1-CE2 4.04Å; L404-L452 HydrophobicContact CD1-CD1 3.8Å; L404-F454 HydrophobicContact CB-CE1 3.83Å; L404-F454 HydrophobicContact CB-CE2 4.13Å; L404-F454 HydrophobicContact CB-CZ 3.34Å; L404-F454 HydrophobicContact CD1-CZ 4.21Å; L404-F454 HydrophobicContact CG-CZ 4.42Å; L404-F454 WeakPolarHBondContact O-CE1 3.31Å; L404-I532 HydrophobicContact CD2-CB 4.17Å; L404-I532 HydrophobicContact CD2-CG1 4.05Å; L404-I532 HydrophobicContact CD2-CG2 3.72Å; L404-V540 HydrophobicContact CD2-CG2 4.42Å
405	G	98.8	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.1	-134.3	-178.4	0	0	0	0	0	113.3	A531	G405-A531 PolarHBondContact N-O 2.71Å; G405-A531 PolarHBondContact O-N 2.97Å
406	W	98.9	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.7	-171.9	-63.6	93.8	0	0	0	111.6	V382 W387 F389 S423 Y424 I456 M507 Y528 F529 P530 M560	V382-W406 HydrophobicContact CG2-CH2 4.27Å; V382-W406 HydrophobicContact CG2-CZ3 3.82Å; W387-W406 HydrophobicContact CB-CH2 4.4Å; F389-W406 AromaticContact CD1-CH2 3.83Å; F389-W406 HydrophobicContact CD1-CH2 3.83Å; F389-W406 AromaticContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CD1-CZ2 3.6Å; F389-W406 HydrophobicContact CE1-CD2 4.13Å; F389-W406 AromaticContact CE1-CE2 3.58Å; F389-W406 HydrophobicContact CE1-CE3 4.47Å; F389-W406 AromaticContact CE1-CH2 3.85Å; F389-W406 HydrophobicContact CE1-CH2 3.85Å; F389-W406 AromaticContact CE1-CZ2 3.43Å; F389-W406 HydrophobicContact CE1-CZ2 3.43Å; F389-W406 VanDerWaalsContact CE1-CZ2 3.43Å; F389-W406 HydrophobicContact CE1-CZ3 4.37Å; W406-S423 WeakPolarHBondContact O-CA 3.05Å; W406-Y424 PolarHBondContact N-O 3.48Å; W406-Y424 PolarHBondContact O-N 2.98Å; W406-Y424 VanDerWaalsContact O-O 3.12Å; W406-I456 HydrophobicContact CD2-CB 4.28Å; W406-I456 HydrophobicContact CD2-CD1 4.13Å; W406-I456 HydrophobicContact CD2-CG2 4.23Å; W406-I456 HydrophobicContact CE3-CD1 4.35Å; W406-I456 HydrophobicContact CE3-CG2 4.32Å; W406-I456 HydrophobicContact CG-CD1 4.32Å; W406-I456 HydrophobicContact CH2-CB 4.33Å; W406-I456 HydrophobicContact CH2-CG2 3.4Å; W406-I456 VanDerWaalsContact CH2-CG2 3.4Å; W406-I456 HydrophobicContact CZ2-CB 3.75Å; W406-I456 HydrophobicContact CZ2-CG2 3.27Å; W406-I456 HydrophobicContact CZ3-CG2 3.92Å; W406-M507 HydrophobicContact CB-CE 3.64Å; W406-M507 HydrophobicContact CB-SD 4.34Å; W406-M507 HydrophobicContact CG-CE 3.92Å; W406-M507 HydrophobicContact CG-SD 4.33Å; W406-Y528 HydrophobicContact CB-CD1 4.01Å; W406-F529 WeakPolarHBondContact CA-O 3.45Å; W406-P530 HydrophobicContact CE3-CG 4.33Å; W406-P530 HydrophobicContact CH2-CG 4.1Å; W406-P530 HydrophobicContact CZ3-CG 3.76Å; W406-M560 HydrophobicContact CH2-CG 4.23Å; W406-M560 HydrophobicContact CH2-SD 3.66Å; W406-M560 HydrophobicContact CZ3-SD 4.05Å
407	S	98.6	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.1	175.6	-174.3	0	0	0	0	110.6	F529	S407-F529 PolarHBondContact N-O 2.67Å; S407-F529 PolarHBondContact O-N 2.91Å
408	Q	97.6	Very high	96.4	Very high	14 Å²	14	28 Å²	28	7%	0.065	15%	0.153	C	C	.	.			trans	-74.2	165.9	160.2	-58.4	-170.4	-1.7	0	0	110.6	L410 G411 F422 F524 E525 I527 Y528	Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 PolarHBondContact O-N 2.82Å; Q408-G411 PolarHBondContact O-N 3.37Å; Q408-G411 VanDerWaalsContact O-N 3.13Å; Q408-F422 HydrophobicContact CB-CB 4.12Å; Q408-F422 HydrophobicContact CB-CD1 4.41Å; Q408-F422 PolarHBondContact N-O 3.47Å; Q408-F524 PolarHBondContact NE2-O 3.27Å; Q408-E525 PolarHBondContact NE2-O 3.29Å; Q408-E525 VanDerWaalsContact NE2-O 3.11Å; Q408-I527 WeakPolarHBondContact CA-O 3.44Å; Q408-Y528 HydrophobicContact CG-CD1 3.94Å; Q408-Y528 HydrophobicContact CG-CD2 4.45Å; Q408-Y528 HydrophobicContact CG-CE1 3.66Å; Q408-Y528 HydrophobicContact CG-CE2 4.2Å; Q408-Y528 HydrophobicContact CG-CG 4.35Å; Q408-Y528 PolarHBondContact NE2-OH 3.44Å; Q408-Y528 VanDerWaalsContact NE2-OH 3.17Å
409	P	93.4	Very high	96.6	Very high	36 Å²	36	27.8 Å²	27.8	23%	0.234	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.4	-174.1	-29.7	35.4	0	0	0	115.1	R377 G411 I527 F529	R377-P409 VanDerWaalsContact CZ-O 3.23Å; R377-P409 PolarHBondContact NH1-O 3.42Å; R377-P409 PolarHBondContact NH2-O 2.92Å; P409-G411 PolarHBondContact O-N 3.33Å; P409-I527 WeakPolarHBondContact CD-O 3.34Å; P409-F529 HydrophobicContact CG-CD2 4.39Å; P409-F529 HydrophobicContact CG-CE2 3.68Å; P409-F529 HydrophobicContact CG-CZ 4.45Å
410	L	94.4	Very high	96.8	Very high	36 Å²	36	22.9 Å²	22.9	19%	0.188	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	6.6	-174.9	-59.9	178.8	0	0	0	113.9	Q408 N412 F422 D490 A495	Q408-L410 VanDerWaalsContact C-N 3.27Å; Q408-L410 PolarHBondContact O-N 2.82Å; L410-N412 PolarHBondContact O-N 2.88Å; L410-F422 HydrophobicContact CB-CD1 4.14Å; L410-F422 HydrophobicContact CB-CD2 3.94Å; L410-F422 HydrophobicContact CB-CE1 4.17Å; L410-F422 HydrophobicContact CB-CE2 3.98Å; L410-F422 HydrophobicContact CB-CG 4.02Å; L410-F422 HydrophobicContact CB-CZ 4.08Å; L410-F422 HydrophobicContact CD1-CE1 4.18Å; L410-F422 HydrophobicContact CD1-CZ 4.1Å; L410-D490 HydrophobicContact CD2-CB 3.92Å; L410-D490 WeakPolarHBondContact CD2-OD1 3.26Å; L410-A495 HydrophobicContact CD1-CB 3.2Å
411	G	95.1	Very high	96.8	Very high	4 Å²	4	25.7 Å²	25.7	4%	0.041	13%	0.127	C	C	.	.	S	Bend	trans	-60.8	132.7	171.9	0	0	0	0	0	111.3	R377 Q408 P409 L413 D420	R377-G411 PolarHBondContact NH1-O 2.77Å; Q408-G411 PolarHBondContact O-N 3.37Å; Q408-G411 VanDerWaalsContact O-N 3.13Å; P409-G411 PolarHBondContact O-N 3.33Å; G411-L413 PolarHBondContact O-N 2.82Å; G411-L413 VanDerWaalsContact O-N 3.17Å; G411-D420 VanDerWaalsContact CA-OD2 3.31Å; G411-D420 WeakPolarHBondContact CA-OD2 3.24Å
412	N	94.3	Very high	96.9	Very high	75 Å²	75	25.7 Å²	25.7	40%	0.401	13%	0.126	S	C	.	.			trans	-72.3	111.3	-174.4	-178.1	-8.6	0	0	0	111.6	L410 Q414 A415 D420	L410-N412 PolarHBondContact O-N 2.88Å; N412-Q414 PolarHBondContact O-N 3.17Å; N412-Q414 VanDerWaalsContact O-N 3.17Å; N412-Q414 PolarHBondContact OD1-N 3.43Å; N412-A415 HydrophobicContact CB-CB 3.86Å; N412-A415 WeakPolarHBondContact O-CB 3.37Å; N412-A415 PolarHBondContact O-N 3.13Å; N412-D420 PolarHBondContact N-OD2 2.63Å
413	L	94.9	Very high	96.9	Very high	13 Å²	13	25.8 Å²	25.8	7%	0.068	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.1	-178.3	-66.5	172.4	0	0	0	114.2	N303 A355 M375 G411	N303-L413 HydrophobicContact CB-CD1 4.2Å; A355-L413 WeakPolarHBondContact CB-O 3.45Å; M375-L413 HydrophobicContact CB-CD2 4.46Å; M375-L413 HydrophobicContact CE-CD2 3.89Å; M375-L413 HydrophobicContact CG-CD2 4.44Å; M375-L413 PolarHBondContact N-O 3.42Å; G411-L413 PolarHBondContact O-N 2.82Å; G411-L413 VanDerWaalsContact O-N 3.17Å
414	Q	93.9	Very high	96.9	Very high	98 Å²	98	25 Å²	25	46%	0.458	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.8	177.5	-64.2	-65.4	-29.4	0	0	113.1	N412	N412-Q414 PolarHBondContact O-N 3.17Å; N412-Q414 VanDerWaalsContact O-N 3.17Å; N412-Q414 PolarHBondContact OD1-N 3.43Å
415	A	95.4	Very high	96.9	Very high	7 Å²	7	25 Å²	25	6%	0.058	12%	0.123	C	C	.	.	S	Bend	trans	-108.6	160	-178.8	0	0	0	0	0	111.4	N412 Y419	N412-A415 HydrophobicContact CB-CB 3.86Å; N412-A415 WeakPolarHBondContact O-CB 3.37Å; N412-A415 PolarHBondContact O-N 3.13Å; A415-Y419 HydrophobicContact CB-CD1 3.57Å; A415-Y419 HydrophobicContact CB-CE1 4.3Å; A415-Y419 HydrophobicContact CB-CG 3.71Å
416	P	97.5	Very high	96.9	Very high	28 Å²	28	25 Å²	25	18%	0.182	12%	0.123	C	C	.	.			trans	-62.6	140	168.9	22.6	-29.5	0	0	0	111	Y373 G418 Y419 S533	Y373-P416 HydrophobicContact CD1-CB 3.67Å; Y373-P416 HydrophobicContact CD2-CB 4.1Å; Y373-P416 HydrophobicContact CD2-CG 4.45Å; Y373-P416 HydrophobicContact CE1-CB 4.15Å; Y373-P416 HydrophobicContact CG-CB 3.61Å; Y373-P416 HydrophobicContact CG-CG 4.28Å; P416-G418 PolarHBondContact O-N 2.85Å; P416-Y419 WeakPolarHBondContact O-CB 3.46Å; P416-Y419 PolarHBondContact O-N 3.05Å; P416-S533 WeakPolarHBondContact CA-OG 3.47Å
417	L	98.4	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136	171.6	-169.9	70.8	0	0	0	110.2	M375 R403 S425 A531 S533	M375-L417 HydrophobicContact SD-CB 4.06Å; M375-L417 HydrophobicContact SD-CD1 3.27Å; M375-L417 WeakPolarHBondContact SD-CD1 3.27Å; M375-L417 HydrophobicContact SD-CG 4.24Å; R403-L417 HydrophobicContact CB-CB 4.13Å; R403-L417 WeakPolarHBondContact CD-O 3.31Å; R403-L417 PolarHBondContact NH1-O 3.11Å; R403-L417 VanDerWaalsContact NH1-O 3.16Å; L417-S425 PolarHBondContact O-OG 3.42Å; L417-A531 HydrophobicContact CD1-CB 3.6Å; L417-A531 HydrophobicContact CD2-CB 4.02Å; L417-A531 WeakPolarHBondContact CD2-O 3.4Å; L417-A531 HydrophobicContact CG-CB 4.49Å; L417-S533 PolarHBondContact N-OG 3.38Å
418	G	98	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	13.7	-172.3	0	0	0	0	0	114.8	P416 S423 H435 Q436 S437	P416-G418 PolarHBondContact O-N 2.85Å; G418-S423 VanDerWaalsContact CA-OG 3.3Å; G418-S423 WeakPolarHBondContact CA-OG 3.06Å; G418-S423 PolarHBondContact N-OG 2.84Å; G418-H435 CarbonylContact O-C 3.54Å; G418-H435 WeakPolarHBondContact O-CA 3.27Å; G418-Q436 PolarHBondContact O-N 3.26Å; G418-S437 PolarHBondContact O-N 3Å
419	Y	97.9	Very high	96.6	Very high	118 Å²	118	31 Å²	31	46%	0.463	15%	0.148	S	C	.	.	S	Bend	trans	-71.9	-44.6	173.9	170.1	-105.1	0	0	0	112.4	A415 P416 Q436 S437	A415-Y419 HydrophobicContact CB-CD1 3.57Å; A415-Y419 HydrophobicContact CB-CE1 4.3Å; A415-Y419 HydrophobicContact CB-CG 3.71Å; P416-Y419 WeakPolarHBondContact O-CB 3.46Å; P416-Y419 PolarHBondContact O-N 3.05Å; Y419-Q436 CarbonylContact O-C 3.5Å; Y419-Q436 VanDerWaalsContact O-C 3.3Å; Y419-Q436 WeakPolarHBondContact O-CA 3.49Å; Y419-S437 WeakPolarHBondContact CA-OG 3.36Å; Y419-S437 WeakPolarHBondContact CD2-OG 3.36Å; Y419-S437 PolarHBondContact O-N 3.1Å; Y419-S437 PolarHBondContact O-OG 3.04Å
420	D	96.3	Very high	96.6	Very high	18 Å²	18	36.9 Å²	36.9	10%	0.096	17%	0.17	C	C	.	.	S	Bend	trans	-102.5	-174.8	-175.2	52.6	43.7	0	0	0	112.2	G411 N412 F422 S423 Q436	G411-D420 VanDerWaalsContact CA-OD2 3.31Å; G411-D420 WeakPolarHBondContact CA-OD2 3.24Å; N412-D420 PolarHBondContact N-OD2 2.63Å; D420-F422 VanDerWaalsContact C-N 3.28Å; D420-F422 HydrophobicContact CB-CD2 4.34Å; D420-F422 WeakPolarHBondContact OD1-CA 3.11Å; D420-F422 PolarHBondContact OD1-N 3Å; D420-S423 WeakPolarHBondContact OD1-CB 3.48Å; D420-S423 PolarHBondContact OD1-N 2.84Å; D420-S423 PolarHBondContact OD1-OG 3.32Å; D420-Q436 WeakPolarHBondContact O-CA 3.03Å; D420-Q436 PolarHBondContact O-N 2.76Å
421	K	97.4	Very high	96.7	Very high	66 Å²	66	35.1 Å²	35.1	29%	0.287	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-15.2	175	-65.9	173.4	-174.7	158.2	0	113.3	H435 Q436 E496 L499 F524	K421-H435 PolarHBondContact O-CE1 3.17Å; K421-H435 VanDerWaalsContact O-CE1 3.3Å; K421-Q436 HydrophobicContact CB-CG 4.29Å; K421-Q436 HydrophobicContact CG-CG 3.69Å; K421-E496 HydrophobicContact CD-CB 4.45Å; K421-E496 HydrophobicContact CD-CG 4.2Å; K421-E496 IonicContact NZ-OE2 2.8Å; K421-E496 PolarHBondContact NZ-OE2 3.22Å; K421-L499 HydrophobicContact CB-CD1 3.65Å; K421-L499 HydrophobicContact CD-CD1 4.06Å; K421-L499 HydrophobicContact CG-CD1 4.48Å; K421-F524 HydrophobicContact CB-CE2 4.27Å; K421-F524 WeakPolarHBondContact O-CD2 3.42Å
422	F	97.8	Very high	96.8	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.013	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.3	-173.6	-60.2	-68.6	0	0	0	112.5	Q408 L410 D420 V492 A495 E496 L499	Q408-F422 HydrophobicContact CB-CB 4.12Å; Q408-F422 HydrophobicContact CB-CD1 4.41Å; Q408-F422 PolarHBondContact N-O 3.47Å; L410-F422 HydrophobicContact CB-CD1 4.14Å; L410-F422 HydrophobicContact CB-CD2 3.94Å; L410-F422 HydrophobicContact CB-CE1 4.17Å; L410-F422 HydrophobicContact CB-CE2 3.98Å; L410-F422 HydrophobicContact CB-CG 4.02Å; L410-F422 HydrophobicContact CB-CZ 4.08Å; L410-F422 HydrophobicContact CD1-CE1 4.18Å; L410-F422 HydrophobicContact CD1-CZ 4.1Å; D420-F422 VanDerWaalsContact C-N 3.28Å; D420-F422 HydrophobicContact CB-CD2 4.34Å; D420-F422 WeakPolarHBondContact OD1-CA 3.11Å; D420-F422 PolarHBondContact OD1-N 3Å; F422-V492 HydrophobicContact CE2-CG1 3.85Å; F422-V492 HydrophobicContact CZ-CG1 4.41Å; F422-A495 HydrophobicContact CE1-CB 4.17Å; F422-A495 HydrophobicContact CZ-CB 4.02Å; F422-E496 HydrophobicContact CE2-CG 3.55Å; F422-E496 HydrophobicContact CZ-CB 4.31Å; F422-E496 HydrophobicContact CZ-CG 3.44Å; F422-E496 VanDerWaalsContact CZ-CG 3.44Å; F422-L499 HydrophobicContact CD1-CD1 4.34Å; F422-L499 HydrophobicContact CD1-CD2 4.19Å; F422-L499 HydrophobicContact CE1-CD1 3.94Å; F422-L499 HydrophobicContact CE1-CD2 3.94Å; F422-L499 HydrophobicContact CE1-CG 4.18Å; F422-L499 HydrophobicContact CZ-CD1 4.42Å
423	S	98.1	Very high	97	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.7	-172	57.1	0	0	0	0	114.3	W406 G418 D420 H435	W406-S423 WeakPolarHBondContact O-CA 3.05Å; G418-S423 VanDerWaalsContact CA-OG 3.3Å; G418-S423 WeakPolarHBondContact CA-OG 3.06Å; G418-S423 PolarHBondContact N-OG 2.84Å; D420-S423 WeakPolarHBondContact OD1-CB 3.48Å; D420-S423 PolarHBondContact OD1-N 2.84Å; D420-S423 PolarHBondContact OD1-OG 3.32Å; S423-H435 PolarHBondContact O-ND1 3.18Å
424	Y	98.8	Very high	97.2	Very high	8 Å²	8	35.6 Å²	35.6	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.8	-176.5	-58.4	-97.9	0	0	0	108.3	W406 H435 M507 F520 L523 F524 Y528	W406-Y424 PolarHBondContact N-O 3.48Å; W406-Y424 PolarHBondContact O-N 2.98Å; W406-Y424 VanDerWaalsContact O-O 3.12Å; Y424-H435 HydrophobicContact CD1-CB 4Å; Y424-H435 AromaticContact CD1-CG 3.74Å; Y424-H435 AromaticContact CD1-ND1 3.47Å; Y424-H435 WeakPolarHBondContact CD1-ND1 3.42Å; Y424-H435 HydrophobicContact CE1-CB 4.37Å; Y424-H435 AromaticContact CE1-CD2 3.95Å; Y424-H435 AromaticContact CE1-CE1 3.34Å; Y424-H435 WeakPolarHBondContact CE1-CE1 3.4Å; Y424-H435 AromaticContact CE1-CG 3.65Å; Y424-H435 AromaticContact CE1-ND1 3.28Å; Y424-H435 VanDerWaalsContact CE1-ND1 3.28Å; Y424-H435 WeakPolarHBondContact CE1-ND1 3.3Å; Y424-H435 AromaticContact CE1-NE2 3.77Å; Y424-H435 AromaticContact CE2-CE1 4Å; Y424-H435 AromaticContact CG-ND1 3.99Å; Y424-H435 AromaticContact CZ-CE1 3.34Å; Y424-H435 AromaticContact CZ-ND1 3.62Å; Y424-H435 PolarHBondContact OH-CE1 2.66Å; Y424-M507 HydrophobicContact CD2-CE 3.84Å; Y424-M507 HydrophobicContact CG-CE 3.97Å; Y424-M507 HydrophobicContact CG-SD 4.08Å; Y424-F520 HydrophobicContact CD1-CB 4.21Å; Y424-F520 AromaticContact CD1-CD1 3.61Å; Y424-F520 HydrophobicContact CD1-CD1 3.61Å; Y424-F520 AromaticContact CD1-CD2 3.99Å; Y424-F520 HydrophobicContact CD1-CD2 3.99Å; Y424-F520 AromaticContact CD1-CE1 3.88Å; Y424-F520 HydrophobicContact CD1-CE1 3.88Å; Y424-F520 HydrophobicContact CD1-CE2 4.25Å; Y424-F520 AromaticContact CD1-CG 3.66Å; Y424-F520 HydrophobicContact CD1-CG 3.66Å; Y424-F520 HydrophobicContact CD1-CZ 4.17Å; Y424-F520 HydrophobicContact CE1-CD1 4.2Å; Y424-F520 HydrophobicContact CE1-CG 4.39Å; Y424-F520 HydrophobicContact CG-CD2 4.38Å; Y424-F520 HydrophobicContact CG-CG 4.45Å; Y424-L523 HydrophobicContact CD1-CD2 4.46Å; Y424-L523 HydrophobicContact CE1-CD2 4.14Å; Y424-F524 WeakPolarHBondContact OH-CD2 3.37Å; Y424-F524 PolarHBondContact OH-N 3.23Å; Y424-Y528 AromaticContact CD2-CE1 3.8Å; Y424-Y528 HydrophobicContact CD2-CE1 3.8Å; Y424-Y528 AromaticContact CE2-CE1 3.66Å; Y424-Y528 HydrophobicContact CE2-CE1 3.66Å; Y424-Y528 AromaticContact CE2-CZ 4Å; Y424-Y528 WeakPolarHBondContact CE2-OH 3.26Å
425	S	98.6	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.6	-175.2	64.8	0	0	0	0	114.6	L404 L417 R433 F434	L404-S425 CarbonylContact O-C 3.58Å; L404-S425 WeakPolarHBondContact O-CA 3.49Å; L417-S425 PolarHBondContact O-OG 3.42Å; S425-R433 CarbonylContact O-C 3.55Å; S425-R433 VanDerWaalsContact O-CA 3.22Å; S425-R433 WeakPolarHBondContact O-CA 3.45Å; S425-F434 PolarHBondContact N-O 3.43Å; S425-F434 PolarHBondContact O-N 3.17Å; S425-F434 WeakPolarHBondContact OG-CB 3.34Å
426	W	98.6	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.2	166.9	-168.3	18.2	0	0	0	109.1	R403 L404 Y442 S443 Y446 L452 F454 F509 K511 Q516	R403-W426 VanDerWaalsContact CA-O 3.27Å; R403-W426 WeakPolarHBondContact CA-O 3.41Å; L404-W426 PolarHBondContact N-O 3.19Å; L404-W426 PolarHBondContact O-N 3.32Å; W426-Y442 AromaticContact CD1-CD1 3.99Å; W426-Y442 AromaticContact NE1-CD1 3.72Å; W426-S443 VanDerWaalsContact CE2-OG 3.24Å; W426-S443 WeakPolarHBondContact CZ2-OG 3.4Å; W426-S443 PolarHBondContact NE1-OG 3.37Å; W426-Y446 HydrophobicContact CB-CE1 4.43Å; W426-Y446 AromaticContact CD2-CD1 3.99Å; W426-Y446 HydrophobicContact CD2-CD1 3.99Å; W426-Y446 AromaticContact CD2-CE1 3.73Å; W426-Y446 HydrophobicContact CD2-CE1 3.73Å; W426-Y446 AromaticContact CE2-CD1 3.82Å; W426-Y446 AromaticContact CE2-CE1 3.98Å; W426-Y446 HydrophobicContact CE3-CD1 4.35Å; W426-Y446 HydrophobicContact CE3-CE1 4.16Å; W426-Y446 HydrophobicContact CG-CD1 4.48Å; W426-Y446 AromaticContact CG-CE1 3.84Å; W426-Y446 HydrophobicContact CG-CE1 3.84Å; W426-Y446 HydrophobicContact CH2-CD1 4.4Å; W426-Y446 HydrophobicContact CZ2-CD1 4.03Å; W426-Y446 PolarHBondContact O-OH 3.2Å; W426-L452 HydrophobicContact CE3-CD1 4.07Å; W426-L452 HydrophobicContact CH2-CD2 3.94Å; W426-L452 HydrophobicContact CZ3-CB 4.11Å; W426-L452 HydrophobicContact CZ3-CD1 3.99Å; W426-L452 HydrophobicContact CZ3-CD2 3.78Å; W426-L452 HydrophobicContact CZ3-CG 4.18Å; W426-F454 HydrophobicContact CE3-CE1 4.16Å; W426-F454 HydrophobicContact CE3-CZ 4.28Å; W426-F509 HydrophobicContact CB-CD2 3.73Å; W426-F509 HydrophobicContact CB-CE2 3.69Å; W426-F509 HydrophobicContact CD2-CB 4.3Å; W426-F509 AromaticContact CD2-CD2 3.96Å; W426-F509 HydrophobicContact CD2-CD2 3.96Å; W426-F509 HydrophobicContact CD2-CG 4.42Å; W426-F509 HydrophobicContact CE3-CB 3.64Å; W426-F509 AromaticContact CE3-CD2 3.95Å; W426-F509 HydrophobicContact CE3-CD2 3.95Å; W426-F509 AromaticContact CE3-CG 3.95Å; W426-F509 HydrophobicContact CE3-CG 3.95Å; W426-F509 AromaticContact CG-CD2 3.91Å; W426-F509 HydrophobicContact CG-CD2 3.91Å; W426-F509 HydrophobicContact CG-CE2 4.32Å; W426-F509 HydrophobicContact CH2-CB 4.36Å; W426-F509 HydrophobicContact CZ3-CB 3.68Å; W426-F509 HydrophobicContact CZ3-CG 4.47Å; W426-K511 HydrophobicContact CH2-CB 4.11Å; W426-Q516 HydrophobicContact CH2-CG 3.77Å; W426-Q516 HydrophobicContact CZ2-CG 4.03Å
427	R	98.3	Very high	97.4	Very high	51 Å²	51	37.3 Å²	37.3	19%	0.192	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.2	-178.9	-174	-176.8	70.1	-169.5	-7.6	111	A402 R403 K429 G431 T432 F434 Y446	A402-R427 WeakPolarHBondContact O-CA 3.31Å; R403-R427 HydrophobicContact CG-CB 4.05Å; R403-R427 HydrophobicContact CG-CG 4.06Å; R427-K429 PolarHBondContact NE-O 3.31Å; R427-K429 PolarHBondContact NH2-O 3.28Å; R427-K429 PolarHBondContact O-N 2.92Å; R427-G431 WeakPolarHBondContact O-CA 3.5Å; R427-G431 PolarHBondContact O-N 2.97Å; R427-T432 WeakPolarHBondContact CB-O 3.32Å; R427-T432 PolarHBondContact N-O 3.09Å; R427-T432 PolarHBondContact NE-OG1 2.59Å; R427-T432 PolarHBondContact NH2-OG1 2.68Å; R427-F434 HydrophobicContact CB-CD2 3.99Å; R427-F434 HydrophobicContact CB-CE2 4.09Å; R427-Y446 VanDerWaalsContact C-CE1 3.5Å
428	S	97.6	Very high	97.4	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-52.6	178.1	65.9	0	0	0	0	112.6	A402 K430 S445 Y446	A402-S428 PolarHBondContact N-OG 3.39Å; A402-S428 VanDerWaalsContact N-OG 3.12Å; A402-S428 PolarHBondContact O-N 2.98Å; S428-K430 PolarHBondContact O-N 2.78Å; S428-S445 WeakPolarHBondContact O-CA 3Å; S428-S445 WeakPolarHBondContact O-CB 3.43Å; S428-Y446 VanDerWaalsContact CA-CE2 3.48Å; S428-Y446 PolarHBondContact N-OH 3.14Å; S428-Y446 VanDerWaalsContact N-OH 3.15Å; S428-Y446 PolarHBondContact O-N 2.84Å
429	K	94.2	Very high	97.4	Very high	88 Å²	88	43.9 Å²	43.9	38%	0.383	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-66.4	122.8	176.1	-67.9	-169	175.3	-173.3	0	110.7	E399 T400 A401 R427 G431	E399-K429 IonicContact OE1-NZ 3.1Å; E399-K429 IonicContact OE2-NZ 2.76Å; T400-K429 VanDerWaalsContact O-CE 3.26Å; T400-K429 WeakPolarHBondContact O-CE 3.48Å; A401-K429 HydrophobicContact CB-CD 4.48Å; A401-K429 HydrophobicContact CB-CG 4.42Å; R427-K429 PolarHBondContact NE-O 3.31Å; R427-K429 PolarHBondContact NH2-O 3.28Å; R427-K429 PolarHBondContact O-N 2.92Å; K429-G431 PolarHBondContact O-N 3.09Å
430	K	93.3	Very high	97.4	Very high	158 Å²	158	44.4 Å²	44.4	69%	0.687	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	64.1	8	176.6	-49.2	-176.9	178	-173.9	0	116	S428 T432	S428-K430 PolarHBondContact O-N 2.78Å; K430-T432 VanDerWaalsContact C-N 3.3Å; K430-T432 HydrophobicContact CB-CG2 4.19Å; K430-T432 PolarHBondContact O-N 3Å
431	G	95.3	Very high	97.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	57.8	38.6	175.3	0	0	0	0	0	114.1	R427 K429 Y442 S443 S444	R427-G431 WeakPolarHBondContact O-CA 3.5Å; R427-G431 PolarHBondContact O-N 2.97Å; K429-G431 PolarHBondContact O-N 3.09Å; G431-Y442 PolarHBondContact O-N 2.51Å; G431-S443 WeakPolarHBondContact CA-O 3.12Å; G431-S443 PolarHBondContact O-N 3.21Å; G431-S443 PolarHBondContact O-OG 2.55Å; G431-S444 WeakPolarHBondContact CA-O 3.33Å
432	T	98.1	Very high	97.4	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.2	-176.2	48.3	0	0	0	0	111.1	R427 K430 F434 K440	R427-T432 WeakPolarHBondContact CB-O 3.32Å; R427-T432 PolarHBondContact N-O 3.09Å; R427-T432 PolarHBondContact NE-OG1 2.59Å; R427-T432 PolarHBondContact NH2-OG1 2.68Å; K430-T432 VanDerWaalsContact C-N 3.3Å; K430-T432 HydrophobicContact CB-CG2 4.19Å; K430-T432 PolarHBondContact O-N 3Å; T432-F434 VanDerWaalsContact OG1-CE2 3.27Å; T432-F434 WeakPolarHBondContact OG1-CE2 3.4Å; T432-K440 CarbonylContact C-O 3.3Å; T432-K440 WeakPolarHBondContact CA-O 3.25Å; T432-K440 WeakPolarHBondContact CB-O 3.49Å
433	R	98.3	Very high	97.4	Very high	69 Å²	69	49.1 Å²	49.1	26%	0.26	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.5	170.1	65	180	163.7	-173.9	-4.3	110.9	S425 G439 K440 Y442 V518 A519 F520	S425-R433 CarbonylContact O-C 3.55Å; S425-R433 VanDerWaalsContact O-CA 3.22Å; S425-R433 WeakPolarHBondContact O-CA 3.45Å; R433-G439 CarbonylContact O-C 3.5Å; R433-G439 WeakPolarHBondContact O-CA 3.46Å; R433-K440 HydrophobicContact CG-CB 4.11Å; R433-K440 PolarHBondContact N-O 2.87Å; R433-K440 PolarHBondContact O-N 3.2Å; R433-Y442 HydrophobicContact CB-CG 4.26Å; R433-Y442 HydrophobicContact CG-CG 4.38Å; R433-V518 PolarHBondContact NH1-O 3.46Å; R433-A519 WeakPolarHBondContact CD-O 3.37Å; R433-A519 PolarHBondContact NH1-O 3Å; R433-F520 HydrophobicContact CB-CE1 4.43Å; R433-F520 HydrophobicContact CB-CE2 4.08Å; R433-F520 HydrophobicContact CB-CZ 3.7Å; R433-F520 HydrophobicContact CG-CE1 4.43Å; R433-F520 HydrophobicContact CG-CZ 4.18Å
434	F	98.4	Very high	97.3	Very high	19 Å²	19	52.5 Å²	52.5	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133	-175.8	-90.3	-91.2	0	0	0	112.1	S425 R427 T432 I438	S425-F434 PolarHBondContact N-O 3.43Å; S425-F434 PolarHBondContact O-N 3.17Å; S425-F434 WeakPolarHBondContact OG-CB 3.34Å; R427-F434 HydrophobicContact CB-CD2 3.99Å; R427-F434 HydrophobicContact CB-CE2 4.09Å; T432-F434 VanDerWaalsContact OG1-CE2 3.27Å; T432-F434 WeakPolarHBondContact OG1-CE2 3.4Å; F434-I438 WeakPolarHBondContact CA-O 3.46Å
435	H	98.4	Very high	97.2	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.134	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	139.6	171.5	173.5	66	0	0	0	108.3	G418 K421 S423 Y424 S437 I438 F520 F524	G418-H435 CarbonylContact O-C 3.54Å; G418-H435 WeakPolarHBondContact O-CA 3.27Å; K421-H435 PolarHBondContact O-CE1 3.17Å; K421-H435 VanDerWaalsContact O-CE1 3.3Å; S423-H435 PolarHBondContact O-ND1 3.18Å; Y424-H435 HydrophobicContact CD1-CB 4Å; Y424-H435 AromaticContact CD1-CG 3.74Å; Y424-H435 AromaticContact CD1-ND1 3.47Å; Y424-H435 WeakPolarHBondContact CD1-ND1 3.42Å; Y424-H435 HydrophobicContact CE1-CB 4.37Å; Y424-H435 AromaticContact CE1-CD2 3.95Å; Y424-H435 AromaticContact CE1-CE1 3.34Å; Y424-H435 WeakPolarHBondContact CE1-CE1 3.4Å; Y424-H435 AromaticContact CE1-CG 3.65Å; Y424-H435 AromaticContact CE1-ND1 3.28Å; Y424-H435 VanDerWaalsContact CE1-ND1 3.28Å; Y424-H435 WeakPolarHBondContact CE1-ND1 3.3Å; Y424-H435 AromaticContact CE1-NE2 3.77Å; Y424-H435 AromaticContact CE2-CE1 4Å; Y424-H435 AromaticContact CG-ND1 3.99Å; Y424-H435 AromaticContact CZ-CE1 3.34Å; Y424-H435 AromaticContact CZ-ND1 3.62Å; Y424-H435 PolarHBondContact OH-CE1 2.66Å; H435-S437 PolarHBondContact O-N 3.33Å; H435-I438 PolarHBondContact N-O 2.84Å; H435-I438 WeakPolarHBondContact O-CB 3.38Å; H435-I438 PolarHBondContact O-N 3.35Å; H435-F520 HydrophobicContact CB-CE1 3.7Å; H435-F520 HydrophobicContact CB-CZ 4.19Å; H435-F524 AromaticContact CE1-CE2 4Å; H435-F524 AromaticContact NE2-CE2 3.87Å
436	Q	97.2	Very high	97.2	Very high	79 Å²	79	55.6 Å²	55.6	37%	0.369	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	37.9	-175.3	-63.3	179.2	63.1	0	0	113.6	G418 Y419 D420 K421 I438	G418-Q436 PolarHBondContact O-N 3.26Å; Y419-Q436 CarbonylContact O-C 3.5Å; Y419-Q436 VanDerWaalsContact O-C 3.3Å; Y419-Q436 WeakPolarHBondContact O-CA 3.49Å; D420-Q436 WeakPolarHBondContact O-CA 3.03Å; D420-Q436 PolarHBondContact O-N 2.76Å; K421-Q436 HydrophobicContact CB-CG 4.29Å; K421-Q436 HydrophobicContact CG-CG 3.69Å; Q436-I438 PolarHBondContact O-N 3.38Å
437	S	97.3	Very high	97.1	Very high	61 Å²	61	56.5 Å²	56.5	43%	0.427	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	6.1	-174.5	-62.5	0	0	0	0	115.5	G418 Y419 H435	G418-S437 PolarHBondContact O-N 3Å; Y419-S437 WeakPolarHBondContact CA-OG 3.36Å; Y419-S437 WeakPolarHBondContact CD2-OG 3.36Å; Y419-S437 PolarHBondContact O-N 3.1Å; Y419-S437 PolarHBondContact O-OG 3.04Å; H435-S437 PolarHBondContact O-N 3.33Å
438	I	97.9	Very high	97.1	Very high	100 Å²	100	59.7 Å²	59.7	51%	0.513	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.5	179.6	-61.6	163.8	0	0	0	109	F434 H435 Q436 K440	F434-I438 WeakPolarHBondContact CA-O 3.46Å; H435-I438 PolarHBondContact N-O 2.84Å; H435-I438 WeakPolarHBondContact O-CB 3.38Å; H435-I438 PolarHBondContact O-N 3.35Å; Q436-I438 PolarHBondContact O-N 3.38Å; I438-K440 HydrophobicContact CG2-CG 4.41Å
439	G	97.4	Very high	97.1	Very high	38 Å²	38	62 Å²	62	39%	0.392	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.8	175.4	0	0	0	0	0	111.7	R433	R433-G439 CarbonylContact O-C 3.5Å; R433-G439 WeakPolarHBondContact O-CA 3.46Å
440	K	97.9	Very high	97.3	Very high	129 Å²	129	59 Å²	59	56%	0.561	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	142.4	171.8	-64.2	-178.9	-178.4	177.7	0	109.7	T432 R433 I438	T432-K440 CarbonylContact C-O 3.3Å; T432-K440 WeakPolarHBondContact CA-O 3.25Å; T432-K440 WeakPolarHBondContact CB-O 3.49Å; R433-K440 HydrophobicContact CG-CB 4.11Å; R433-K440 PolarHBondContact N-O 2.87Å; R433-K440 PolarHBondContact O-N 3.2Å; I438-K440 HydrophobicContact CG2-CG 4.41Å
441	H	97.7	Very high	97.6	Very high	144 Å²	144	51.6 Å²	51.6	67%	0.667	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	142.4	170.9	-175.8	37	0	0	0	109.6	S443	H441-S443 PolarHBondContact CE1-O 3.2Å; H441-S443 PolarHBondContact ND1-O 2.88Å
442	Y	97.4	Very high	97.8	Very high	32 Å²	32	51.6 Å²	51.6	13%	0.125	29%	0.29	C	S	.	.			trans	-144.4	-47.1	-173.1	170.2	-110.7	0	0	0	111.3	W426 G431 R433 F509 Q516 G517 V518 A519	W426-Y442 AromaticContact CD1-CD1 3.99Å; W426-Y442 AromaticContact NE1-CD1 3.72Å; G431-Y442 PolarHBondContact O-N 2.51Å; R433-Y442 HydrophobicContact CB-CG 4.26Å; R433-Y442 HydrophobicContact CG-CG 4.38Å; Y442-F509 HydrophobicContact CD1-CD2 4.4Å; Y442-F509 HydrophobicContact CE1-CB 4.02Å; Y442-F509 AromaticContact CE1-CD2 3.68Å; Y442-F509 HydrophobicContact CE1-CD2 3.68Å; Y442-F509 HydrophobicContact CE1-CG 4.31Å; Y442-F509 PolarHBondContact OH-N 3.5Å; Y442-Q516 HydrophobicContact CE1-CB 3.84Å; Y442-G517 PolarHBondContact OH-O 3.05Å; Y442-V518 WeakPolarHBondContact CE2-O 3.13Å; Y442-A519 HydrophobicContact CE1-CB 4.31Å; Y442-A519 VanDerWaalsContact CE2-CA 3.47Å; Y442-A519 HydrophobicContact CE2-CB 3.91Å
443	S	96.7	Very high	97.8	Very high	9 Å²	9	51 Å²	51	6%	0.063	29%	0.286	C	S	.	.	S	Bend	trans	-147.1	179.6	-177.9	70.3	0	0	0	0	111.8	W426 G431 H441	W426-S443 VanDerWaalsContact CE2-OG 3.24Å; W426-S443 WeakPolarHBondContact CZ2-OG 3.4Å; W426-S443 PolarHBondContact NE1-OG 3.37Å; G431-S443 WeakPolarHBondContact CA-O 3.12Å; G431-S443 PolarHBondContact O-N 3.21Å; G431-S443 PolarHBondContact O-OG 2.55Å; H441-S443 PolarHBondContact CE1-O 3.2Å; H441-S443 PolarHBondContact ND1-O 2.88Å
444	S	95.9	Very high	97.8	Very high	73 Å²	73	47.7 Å²	47.7	51%	0.51	27%	0.274	S	S	.	.			trans	-63	159.6	160.7	63.9	0	0	0	0	111.3	G431	G431-S444 WeakPolarHBondContact CA-O 3.33Å
445	S	96.8	Very high	97.8	Very high	64 Å²	64	46.8 Å²	46.8	45%	0.448	27%	0.27	S	S	.	.			trans	-65.6	157.5	174.7	50.3	0	0	0	0	112.3	S428 K511	S428-S445 WeakPolarHBondContact O-CA 3Å; S428-S445 WeakPolarHBondContact O-CB 3.43Å; S445-K511 PolarHBondContact O-NZ 3.47Å
446	Y	98	Very high	97.9	Very high	8 Å²	8	45.4 Å²	45.4	3%	0.031	26%	0.263	C	S	.	.			trans	-121.8	159.2	168.9	65.2	-101.6	0	0	0	110.1	V393 M396 A402 L404 W426 R427 S428 D450 L452	V393-Y446 HydrophobicContact CG2-CD2 4.1Å; V393-Y446 HydrophobicContact CG2-CE2 4.14Å; M396-Y446 HydrophobicContact CE-CE2 4.36Å; A402-Y446 PolarHBondContact O-OH 3.22Å; L404-Y446 HydrophobicContact CD1-CE2 4.04Å; W426-Y446 HydrophobicContact CB-CE1 4.43Å; W426-Y446 AromaticContact CD2-CD1 3.99Å; W426-Y446 HydrophobicContact CD2-CD1 3.99Å; W426-Y446 AromaticContact CD2-CE1 3.73Å; W426-Y446 HydrophobicContact CD2-CE1 3.73Å; W426-Y446 AromaticContact CE2-CD1 3.82Å; W426-Y446 AromaticContact CE2-CE1 3.98Å; W426-Y446 HydrophobicContact CE3-CD1 4.35Å; W426-Y446 HydrophobicContact CE3-CE1 4.16Å; W426-Y446 HydrophobicContact CG-CD1 4.48Å; W426-Y446 AromaticContact CG-CE1 3.84Å; W426-Y446 HydrophobicContact CG-CE1 3.84Å; W426-Y446 HydrophobicContact CH2-CD1 4.4Å; W426-Y446 HydrophobicContact CZ2-CD1 4.03Å; W426-Y446 PolarHBondContact O-OH 3.2Å; R427-Y446 VanDerWaalsContact C-CE1 3.5Å; S428-Y446 VanDerWaalsContact CA-CE2 3.48Å; S428-Y446 PolarHBondContact N-OH 3.14Å; S428-Y446 VanDerWaalsContact N-OH 3.15Å; S428-Y446 PolarHBondContact O-N 2.84Å; Y446-D450 VanDerWaalsContact CA-OD2 3.24Å; Y446-D450 WeakPolarHBondContact CA-OD2 3.22Å; Y446-D450 WeakPolarHBondContact CB-OD2 3.37Å; Y446-L452 HydrophobicContact CD1-CD1 3.66Å; Y446-L452 HydrophobicContact CD1-CD2 4.4Å; Y446-L452 HydrophobicContact CD2-CD1 3.51Å; Y446-L452 HydrophobicContact CD2-CG 4.44Å; Y446-L452 HydrophobicContact CE1-CD1 3.67Å; Y446-L452 HydrophobicContact CE2-CD1 3.49Å; Y446-L452 VanDerWaalsContact CE2-CD1 3.49Å; Y446-L452 HydrophobicContact CG-CD1 3.58Å; Y446-L452 HydrophobicContact CG-CD2 4.08Å; Y446-L452 HydrophobicContact CG-CG 4.38Å
447	G	97.8	Very high	97.9	Very high	19 Å²	19	43.9 Å²	43.9	20%	0.196	26%	0.256	C	S	.	.			trans	-152.4	-163.8	-175.9	0	0	0	0	0	112.7	V393 G449 D450	V393-G447 WeakPolarHBondContact CB-O 3.24Å; G447-G449 PolarHBondContact O-N 2.95Å; G447-D450 PolarHBondContact N-OD2 2.82Å; G447-D450 WeakPolarHBondContact O-CB 3.36Å; G447-D450 PolarHBondContact O-N 2.88Å
448	Q	98.2	Very high	98	Very high	118 Å²	118	41.4 Å²	41.4	55%	0.551	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	135.6	178.9	-173	171.8	-2.1	0	0	112	D394 M396 D450	D394-Q448 WeakPolarHBondContact O-CG 2.95Å; D394-Q448 PolarHBondContact O-NE2 2.96Å; D394-Q448 VanDerWaalsContact O-NE2 3.09Å; M396-Q448 HydrophobicContact CB-CB 4.19Å; Q448-D450 VanDerWaalsContact C-N 3.3Å; Q448-D450 PolarHBondContact O-N 3.06Å
449	G	97.6	Very high	97.9	Very high	50 Å²	50	37.6 Å²	37.6	52%	0.515	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	-14.9	-178.4	0	0	0	0	0	115.1	V393 G447	V393-G449 PolarHBondContact O-N 2.94Å; G447-G449 PolarHBondContact O-N 2.95Å
450	D	98.7	Very high	97.8	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.144	23%	0.225	C	C	.	.			trans	-71.7	137.6	174.4	-74	-43.2	0	0	0	110.7	V393 Y446 G447 Q448 L452 K511 N512	V393-D450 PolarHBondContact N-O 3.44Å; Y446-D450 VanDerWaalsContact CA-OD2 3.24Å; Y446-D450 WeakPolarHBondContact CA-OD2 3.22Å; Y446-D450 WeakPolarHBondContact CB-OD2 3.37Å; G447-D450 PolarHBondContact N-OD2 2.82Å; G447-D450 WeakPolarHBondContact O-CB 3.36Å; G447-D450 PolarHBondContact O-N 2.88Å; Q448-D450 VanDerWaalsContact C-N 3.3Å; Q448-D450 PolarHBondContact O-N 3.06Å; D450-L452 HydrophobicContact CB-CD2 4.17Å; D450-K511 WeakPolarHBondContact OD1-CE 3.42Å; D450-K511 IonicContact OD1-NZ 3.07Å; D450-K511 WeakPolarHBondContact OD2-CE 3.49Å; D450-K511 IonicContact OD2-NZ 3.77Å; D450-K511 PolarHBondContact OD2-NZ 2.76Å; D450-K511 VanDerWaalsContact OD2-NZ 3.09Å; D450-N512 PolarHBondContact OD1-ND2 3.09Å
451	T	98.7	Very high	97.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.6	168.2	-59.2	0	0	0	0	108.5	E390 T392 N512 K549 Y550	E390-T451 HydrophobicContact CB-CG2 4.09Å; E390-T451 HydrophobicContact CG-CG2 4.22Å; T392-T451 WeakPolarHBondContact OG1-CG2 3.43Å; T392-T451 PolarHBondContact OG1-OG1 3.27Å; T451-N512 PolarHBondContact N-OD1 3.08Å; T451-N512 WeakPolarHBondContact O-CA 3.21Å; T451-N512 PolarHBondContact O-N 2.8Å; T451-N512 PolarHBondContact O-OD1 2.84Å; T451-K549 HydrophobicContact CG2-CB 4.37Å; T451-K549 HydrophobicContact CG2-CD 4.42Å; T451-K549 WeakPolarHBondContact OG1-CD 3.46Å; T451-Y550 HydrophobicContact CG2-CD2 4.02Å; T451-Y550 HydrophobicContact CG2-CE2 4.49Å
452	L	98.9	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.1	-174.7	-52.9	179.9	0	0	0	110.5	E390 V391 L404 W426 Y446 D450 F454 Y510 K511	E390-L452 CarbonylContact C-O 3.49Å; E390-L452 VanDerWaalsContact CA-O 3.22Å; E390-L452 WeakPolarHBondContact CA-O 3.26Å; V391-L452 PolarHBondContact N-O 2.88Å; V391-L452 PolarHBondContact O-N 3.2Å; L404-L452 HydrophobicContact CD1-CD1 3.8Å; W426-L452 HydrophobicContact CE3-CD1 4.07Å; W426-L452 HydrophobicContact CH2-CD2 3.94Å; W426-L452 HydrophobicContact CZ3-CB 4.11Å; W426-L452 HydrophobicContact CZ3-CD1 3.99Å; W426-L452 HydrophobicContact CZ3-CD2 3.78Å; W426-L452 HydrophobicContact CZ3-CG 4.18Å; Y446-L452 HydrophobicContact CD1-CD1 3.66Å; Y446-L452 HydrophobicContact CD1-CD2 4.4Å; Y446-L452 HydrophobicContact CD2-CD1 3.51Å; Y446-L452 HydrophobicContact CD2-CG 4.44Å; Y446-L452 HydrophobicContact CE1-CD1 3.67Å; Y446-L452 HydrophobicContact CE2-CD1 3.49Å; Y446-L452 VanDerWaalsContact CE2-CD1 3.49Å; Y446-L452 HydrophobicContact CG-CD1 3.58Å; Y446-L452 HydrophobicContact CG-CD2 4.08Å; Y446-L452 HydrophobicContact CG-CG 4.38Å; D450-L452 HydrophobicContact CB-CD2 4.17Å; L452-F454 HydrophobicContact CB-CE2 3.62Å; L452-F454 HydrophobicContact CB-CZ 3.82Å; L452-F454 HydrophobicContact CD1-CZ 4.15Å; L452-F454 WeakPolarHBondContact O-CE2 3.48Å; L452-Y510 CarbonylContact C-O 3.56Å; L452-Y510 VanDerWaalsContact CA-O 3.23Å; L452-Y510 WeakPolarHBondContact CA-O 3.36Å; L452-K511 HydrophobicContact CD2-CB 4.25Å; L452-K511 HydrophobicContact CD2-CG 3.9Å
453	G	98.8	Very high	97	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	142	175.5	0	0	0	0	0	112.1	Y388 F509 Y510	Y388-G453 VanDerWaalsContact CE2-CA 3.45Å; Y388-G453 WeakPolarHBondContact OH-CA 3.5Å; G453-F509 CarbonylContact O-C 3.45Å; G453-F509 WeakPolarHBondContact O-CA 3.46Å; G453-Y510 PolarHBondContact N-O 3.09Å; G453-Y510 PolarHBondContact O-N 3.04Å
454	F	98.9	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109.1	-178	-62.8	-89.5	0	0	0	109.5	Y388 F389 V391 L404 W426 L452 F509	Y388-F454 WeakPolarHBondContact CA-O 3.47Å; F389-F454 HydrophobicContact CD1-CB 3.82Å; F389-F454 HydrophobicContact CD2-CD2 4.27Å; F389-F454 HydrophobicContact CE1-CB 3.36Å; F389-F454 HydrophobicContact CE1-CD2 4.43Å; F389-F454 HydrophobicContact CE1-CG 4.04Å; F389-F454 HydrophobicContact CE2-CB 4.2Å; F389-F454 AromaticContact CE2-CD2 3.74Å; F389-F454 HydrophobicContact CE2-CD2 3.74Å; F389-F454 HydrophobicContact CE2-CE2 4.49Å; F389-F454 HydrophobicContact CE2-CG 4.13Å; F389-F454 HydrophobicContact CG-CB 4.41Å; F389-F454 HydrophobicContact CZ-CB 3.56Å; F389-F454 HydrophobicContact CZ-CD1 4.48Å; F389-F454 AromaticContact CZ-CD2 3.81Å; F389-F454 HydrophobicContact CZ-CD2 3.81Å; F389-F454 AromaticContact CZ-CG 3.69Å; F389-F454 HydrophobicContact CZ-CG 3.69Å; F389-F454 PolarHBondContact N-O 2.96Å; F389-F454 VanDerWaalsContact N-O 3.16Å; F389-F454 PolarHBondContact O-N 3.46Å; V391-F454 HydrophobicContact CB-CE2 3.95Å; V391-F454 HydrophobicContact CG2-CD2 4.1Å; V391-F454 HydrophobicContact CG2-CE2 3.76Å; L404-F454 HydrophobicContact CB-CE1 3.83Å; L404-F454 HydrophobicContact CB-CE2 4.13Å; L404-F454 HydrophobicContact CB-CZ 3.34Å; L404-F454 HydrophobicContact CD1-CZ 4.21Å; L404-F454 HydrophobicContact CG-CZ 4.42Å; L404-F454 WeakPolarHBondContact O-CE1 3.31Å; W426-F454 HydrophobicContact CE3-CE1 4.16Å; W426-F454 HydrophobicContact CE3-CZ 4.28Å; L452-F454 HydrophobicContact CB-CE2 3.62Å; L452-F454 HydrophobicContact CB-CZ 3.82Å; L452-F454 HydrophobicContact CD1-CZ 4.15Å; L452-F454 WeakPolarHBondContact O-CE2 3.48Å; F454-F509 HydrophobicContact CB-CD1 4.5Å; F454-F509 AromaticContact CD1-CD1 3.45Å; F454-F509 HydrophobicContact CD1-CD1 3.45Å; F454-F509 VanDerWaalsContact CD1-CD1 3.45Å; F454-F509 AromaticContact CD1-CE1 3.53Å; F454-F509 HydrophobicContact CD1-CE1 3.53Å; F454-F509 HydrophobicContact CD1-CG 4.26Å; F454-F509 HydrophobicContact CD1-CZ 4.34Å; F454-F509 AromaticContact CE1-CD1 4Å; F454-F509 HydrophobicContact CE1-CD1 4Å; F454-F509 HydrophobicContact CE1-CE1 4.15Å; F454-F509 HydrophobicContact CE1-CG 4.39Å; F454-F509 HydrophobicContact CG-CD1 4.32Å
455	F	98.8	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.4	176.8	174.4	-90.8	0	0	0	110.6	A386 W387 Y388 E457 M507 L508 Y510 I555	A386-F455 HydrophobicContact CB-CE2 3.82Å; A386-F455 HydrophobicContact CB-CZ 3.8Å; W387-F455 CarbonylContact O-C 3.6Å; W387-F455 VanDerWaalsContact O-CA 3.28Å; W387-F455 WeakPolarHBondContact O-CA 3.42Å; W387-F455 WeakPolarHBondContact O-CD2 3.47Å; Y388-F455 HydrophobicContact CD2-CB 4.13Å; F455-E457 HydrophobicContact CE1-CB 3.68Å; F455-E457 HydrophobicContact CZ-CB 3.83Å; F455-M507 VanDerWaalsContact O-CA 3.3Å; F455-M507 WeakPolarHBondContact O-CA 3.21Å; F455-L508 HydrophobicContact CB-CB 4.09Å; F455-L508 HydrophobicContact CD1-CB 4.04Å; F455-L508 HydrophobicContact CD1-CD1 3.8Å; F455-L508 HydrophobicContact CD1-CG 3.79Å; F455-L508 HydrophobicContact CE1-CD1 4.17Å; F455-L508 HydrophobicContact CE1-CG 4.41Å; F455-L508 HydrophobicContact CG-CB 4.46Å; F455-L508 HydrophobicContact CG-CD1 4.46Å; F455-L508 PolarHBondContact N-O 3.1Å; F455-L508 PolarHBondContact O-N 3.47Å; F455-Y510 HydrophobicContact CB-CE2 4.11Å; F455-I555 HydrophobicContact CD1-CD1 4.16Å; F455-I555 HydrophobicContact CD2-CD1 4.4Å; F455-I555 HydrophobicContact CD2-CG2 4.1Å; F455-I555 HydrophobicContact CE1-CD1 3.49Å; F455-I555 VanDerWaalsContact CE1-CD1 3.49Å; F455-I555 HydrophobicContact CE2-CD1 3.76Å; F455-I555 HydrophobicContact CE2-CG1 3.98Å; F455-I555 HydrophobicContact CE2-CG2 4.12Å; F455-I555 HydrophobicContact CZ-CD1 3.26Å; F455-I555 HydrophobicContact CZ-CG1 3.9Å
456	I	98.8	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.4	170.1	-167.2	176.1	0	0	0	109.7	V382 A386 W387 W406 L458 R506 M507 L523 Y528	V382-I456 HydrophobicContact CG2-CG2 3.93Å; A386-I456 CarbonylContact C-O 3.59Å; A386-I456 WeakPolarHBondContact CA-O 3.23Å; W387-I456 HydrophobicContact CB-CG2 3.94Å; W387-I456 PolarHBondContact N-O 3.23Å; W387-I456 PolarHBondContact O-N 2.94Å; W406-I456 HydrophobicContact CD2-CB 4.28Å; W406-I456 HydrophobicContact CD2-CD1 4.13Å; W406-I456 HydrophobicContact CD2-CG2 4.23Å; W406-I456 HydrophobicContact CE3-CD1 4.35Å; W406-I456 HydrophobicContact CE3-CG2 4.32Å; W406-I456 HydrophobicContact CG-CD1 4.32Å; W406-I456 HydrophobicContact CH2-CB 4.33Å; W406-I456 HydrophobicContact CH2-CG2 3.4Å; W406-I456 VanDerWaalsContact CH2-CG2 3.4Å; W406-I456 HydrophobicContact CZ2-CB 3.75Å; W406-I456 HydrophobicContact CZ2-CG2 3.27Å; W406-I456 HydrophobicContact CZ3-CG2 3.92Å; I456-L458 HydrophobicContact CD1-CD1 4.16Å; I456-L458 HydrophobicContact CD1-CD2 3.9Å; I456-L458 HydrophobicContact CD1-CG 4.04Å; I456-L458 HydrophobicContact CG1-CD2 4.11Å; I456-L458 HydrophobicContact CG1-CG 4.09Å; I456-R506 WeakPolarHBondContact CA-O 3.41Å; I456-M507 HydrophobicContact CB-CG 4.45Å; I456-M507 HydrophobicContact CD1-CE 3.74Å; I456-M507 HydrophobicContact CG1-CE 4.28Å; I456-M507 HydrophobicContact CG1-CG 4.04Å; I456-L523 HydrophobicContact CD1-CD1 4.08Å; I456-L523 HydrophobicContact CG1-CD1 3.95Å; I456-Y528 HydrophobicContact CD1-CD1 4.22Å; I456-Y528 HydrophobicContact CD1-CD2 3.99Å; I456-Y528 HydrophobicContact CD1-CG 3.72Å
457	E	98.3	Very high	96.2	Very high	47 Å²	47	43.7 Å²	43.7	22%	0.22	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.7	170.6	-173.4	-176.9	-100.5	0	0	109	G385 A386 F455 S505 R506	G385-E457 WeakPolarHBondContact O-CA 3.43Å; A386-E457 HydrophobicContact CB-CG 4.35Å; F455-E457 HydrophobicContact CE1-CB 3.68Å; F455-E457 HydrophobicContact CZ-CB 3.83Å; E457-S505 VanDerWaalsContact O-CA 3.3Å; E457-S505 WeakPolarHBondContact O-CA 3.3Å; E457-R506 HydrophobicContact CB-CG 4.27Å; E457-R506 PolarHBondContact N-O 3.15Å; E457-R506 PolarHBondContact O-N 3.43Å; E457-R506 VanDerWaalsContact O-N 3.1Å; E457-R506 IonicContact OE1-CZ 3.67Å; E457-R506 IonicContact OE1-NH1 3.9Å; E457-R506 IonicContact OE1-NH2 2.86Å; E457-R506 PolarHBondContact OE1-NH2 2.82Å; E457-R506 IonicContact OE2-CZ 2.96Å; E457-R506 IonicContact OE2-NE 3.87Å; E457-R506 IonicContact OE2-NH1 2.63Å; E457-R506 PolarHBondContact OE2-NH1 3.45Å; E457-R506 IonicContact OE2-NH2 3Å; E457-R506 PolarHBondContact OE2-NH2 2.95Å
458	L	98.1	Very high	95.8	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.7	-178.5	-62.8	175.2	0	0	0	109.8	V382 G385 I456 L523 Y528	V382-L458 HydrophobicContact CG2-CD1 4.04Å; G385-L458 PolarHBondContact N-O 2.83Å; G385-L458 PolarHBondContact O-N 3.26Å; I456-L458 HydrophobicContact CD1-CD1 4.16Å; I456-L458 HydrophobicContact CD1-CD2 3.9Å; I456-L458 HydrophobicContact CD1-CG 4.04Å; I456-L458 HydrophobicContact CG1-CD2 4.11Å; I456-L458 HydrophobicContact CG1-CG 4.09Å; L458-L523 HydrophobicContact CD2-CD1 3.91Å; L458-Y528 HydrophobicContact CD1-CD2 4.03Å; L458-Y528 HydrophobicContact CD2-CD2 4.01Å; L458-Y528 HydrophobicContact CD2-CE2 4.1Å
459	P	96.6	Very high	95.5	Very high	21 Å²	21	41.5 Å²	41.5	14%	0.136	23%	0.227	C	C	.	.			trans	-74.3	141.7	-178	25.1	-27.8	0	0	0	112.4	T462 V502 P504	P459-T462 HydrophobicContact CB-CG2 4.32Å; P459-T462 HydrophobicContact CG-CG2 3.67Å; P459-V502 HydrophobicContact CG-CB 3.94Å; P459-V502 HydrophobicContact CG-CG2 3.99Å; P459-P504 VanDerWaalsContact CD-O 3.31Å; P459-P504 WeakPolarHBondContact CD-O 3.32Å
460	D	94.6	Very high	95.2	Very high	92 Å²	92	42.2 Å²	42.2	49%	0.492	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.4	-176.9	-61.6	-50.6	0	0	0	114.3	K384 G385 A465	K384-D460 WeakPolarHBondContact CB-OD1 3.45Å; G385-D460 PolarHBondContact N-OD1 3.5Å; D460-A465 WeakPolarHBondContact O-CB 3.47Å
461	E	91.9	Very high	94.9	Very high	146 Å²	146	41.6 Å²	41.6	68%	0.682	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	10.2	-171.2	-65.4	-60.4	151.4	0	0	114.6	K466	E461-K466 WeakPolarHBondContact OE2-CE 3.23Å; E461-K466 IonicContact OE2-NZ 2.72Å; E461-K466 PolarHBondContact OE2-NZ 3.47Å
462	T	93.3	Very high	94.5	Very high	20 Å²	20	43.3 Å²	43.3	12%	0.123	22%	0.223	C	C	.	.	S	Bend	trans	-79.3	160.5	179.4	60.5	0	0	0	0	112.3	P459 T464 A465 K466 V502 E525	P459-T462 HydrophobicContact CB-CG2 4.32Å; P459-T462 HydrophobicContact CG-CG2 3.67Å; T462-T464 PolarHBondContact O-N 3.24Å; T462-A465 PolarHBondContact O-N 2.83Å; T462-A465 WeakPolarHBondContact OG1-CB 3.34Å; T462-A465 PolarHBondContact OG1-N 3.45Å; T462-A465 VanDerWaalsContact OG1-N 3.07Å; T462-K466 WeakPolarHBondContact O-CG 3.36Å; T462-K466 PolarHBondContact O-N 3.24Å; T462-K466 VanDerWaalsContact O-N 3.1Å; T462-V502 HydrophobicContact CG2-CB 4.1Å; T462-V502 HydrophobicContact CG2-CG1 3.71Å; T462-E525 HydrophobicContact CG2-CG 4.42Å
463	E	91.9	Very high	94.1	Very high	154 Å²	154	43.6 Å²	43.6	72%	0.72	23%	0.225	S	C	*	.	H	α-helix	trans	-59.2	-42.6	174.6	-67.6	-165.4	162.2	0	0	110.3	A465 K466 A467 E525	E463-A465 PolarHBondContact O-N 3.19Å; E463-K466 PolarHBondContact O-N 3.04Å; E463-A467 WeakPolarHBondContact O-CB 2.93Å; E463-A467 PolarHBondContact O-N 3.11Å; E463-E525 PolarHBondContact N-OE1 2.99Å
464	T	92.6	Very high	93.5	Very high	36 Å²	36	48.6 Å²	48.6	22%	0.221	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-39.7	177.2	-52.7	0	0	0	0	111.9	R383 T462 K466 A467 E525 I527	R383-T464 HydrophobicContact CB-CG2 4.11Å; R383-T464 VanDerWaalsContact CD-O 3.23Å; R383-T464 WeakPolarHBondContact CD-O 3.35Å; T462-T464 PolarHBondContact O-N 3.24Å; T464-K466 VanDerWaalsContact C-N 3.32Å; T464-K466 PolarHBondContact O-N 2.88Å; T464-A467 PolarHBondContact O-N 2.89Å; T464-E525 WeakPolarHBondContact CB-OE1 3.42Å; T464-E525 PolarHBondContact N-OE1 3.22Å; T464-E525 WeakPolarHBondContact OG1-CG 3.27Å; T464-E525 PolarHBondContact OG1-OE1 3.14Å; T464-I527 HydrophobicContact CG2-CG1 4.09Å
465	A	92.9	Very high	93.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-31.8	179	0	0	0	0	0	113.7	K384 D460 T462 E463	K384-A465 HydrophobicContact CB-CB 3.66Å; K384-A465 HydrophobicContact CD-CB 4Å; K384-A465 HydrophobicContact CG-CB 4.43Å; K384-A465 PolarHBondContact NZ-O 3.24Å; D460-A465 WeakPolarHBondContact O-CB 3.47Å; T462-A465 PolarHBondContact O-N 2.83Å; T462-A465 WeakPolarHBondContact OG1-CB 3.34Å; T462-A465 PolarHBondContact OG1-N 3.45Å; T462-A465 VanDerWaalsContact OG1-N 3.07Å; E463-A465 PolarHBondContact O-N 3.19Å
466	K	92.8	Very high	92.6	Very high	127 Å²	127	53.7 Å²	53.7	55%	0.552	28%	0.284	S	S	*	.	H	α-helix	trans	-84.9	-25.8	179	-67.3	-179.6	-177	-174.7	0	113	E461 T462 E463 T464	E461-K466 WeakPolarHBondContact OE2-CE 3.23Å; E461-K466 IonicContact OE2-NZ 2.72Å; E461-K466 PolarHBondContact OE2-NZ 3.47Å; T462-K466 WeakPolarHBondContact O-CG 3.36Å; T462-K466 PolarHBondContact O-N 3.24Å; T462-K466 VanDerWaalsContact O-N 3.1Å; E463-K466 PolarHBondContact O-N 3.04Å; T464-K466 VanDerWaalsContact C-N 3.32Å; T464-K466 PolarHBondContact O-N 2.88Å
467	A	91.4	Very high	92	Very high	49 Å²	49	54.5 Å²	54.5	41%	0.405	29%	0.288	S	S	.	.	S	Bend	trans	-67.7	143.6	178.4	0	0	0	0	0	112.4	R383 E463 T464	R383-A467 PolarHBondContact NE-O 3.35Å; R383-A467 PolarHBondContact NH2-O 2.97Å; E463-A467 WeakPolarHBondContact O-CB 2.93Å; E463-A467 PolarHBondContact O-N 3.11Å; T464-A467 PolarHBondContact O-N 2.89Å
468	L	91.1	Very high	91.5	Very high	71 Å²	71	54.6 Å²	54.6	37%	0.372	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-75.4	155	161.8	-74.4	175.3	0	0	0	110.1	L573 A574 L577	L468-L573 HydrophobicContact CD1-CD2 4.5Å; L468-L573 HydrophobicContact CD1-CG 4.37Å; L468-L573 HydrophobicContact CD2-CD2 4.14Å; L468-A574 HydrophobicContact CB-CB 4.1Å; L468-A574 HydrophobicContact CD1-CB 4.44Å; L468-L577 HydrophobicContact CD1-CD1 3.3Å
469	P	91.9	Very high	90.9	Very high	20 Å²	20	58.6 Å²	58.6	13%	0.13	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-65.9	154.6	178.5	29.6	-36.6	0	0	0	112.2	E570 H571 A574	P469-E570 HydrophobicContact CG-CB 4.16Å; P469-H571 VanDerWaalsContact CB-CE1 3.42Å; P469-H571 WeakPolarHBondContact CB-CE1 3.4Å; P469-H571 HydrophobicContact CG-CB 4.25Å; P469-A574 HydrophobicContact CG-CB 4.21Å; P469-A574 WeakPolarHBondContact O-CB 3.4Å
470	D	90.7	Very high	90.3	Very high	66 Å²	66	61 Å²	61	35%	0.353	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-63.7	134	175.6	-163.6	-24.4	0	0	0	110.1	Y472 K475	D470-Y472 HydrophobicContact CB-CE1 4.19Å; D470-Y472 HydrophobicContact CB-CE2 4.45Å; D470-Y472 WeakPolarHBondContact O-CD2 3.04Å; D470-Y472 VanDerWaalsContact O-CE2 3.23Å; D470-Y472 WeakPolarHBondContact O-CE2 3.49Å; D470-Y472 PolarHBondContact OD1-N 3.36Å; D470-K475 IonicContact OD2-NZ 3.29Å
471	T	91.5	Very high	89.8	Confident	14 Å²	14	61.8 Å²	61.8	9%	0.086	31%	0.314	C	S	.	.			trans	-84.8	-18.2	178.7	63.2	0	0	0	0	112	K473 A574 D575	T471-K473 PolarHBondContact O-N 3.22Å; T471-A574 VanDerWaalsContact CG2-C 3.48Å; T471-A574 HydrophobicContact CG2-CB 3.73Å; T471-A574 WeakPolarHBondContact CG2-O 3.27Å; T471-D575 WeakPolarHBondContact CB-OD1 3.47Å; T471-D575 WeakPolarHBondContact CG2-OD1 3.35Å
472	Y	92.1	Very high	89.2	Confident	37 Å²	37	57.1 Å²	57.1	15%	0.145	30%	0.298	C	S	.	.			trans	59.4	3.7	-174.6	-48.1	-82	0	0	0	115.2	I310 A341 D470 D474 K475 F486	I310-Y472 HydrophobicContact CD1-CD1 3.83Å; I310-Y472 HydrophobicContact CD1-CE1 3.73Å; I310-Y472 HydrophobicContact CD1-CG 4.47Å; I310-Y472 HydrophobicContact CG1-CD1 4.37Å; I310-Y472 HydrophobicContact CG1-CE1 4.05Å; I310-Y472 HydrophobicContact CG1-CE2 4.45Å; I310-Y472 HydrophobicContact CG2-CD2 4.44Å; I310-Y472 HydrophobicContact CG2-CE2 4.31Å; A341-Y472 HydrophobicContact CB-CD2 4.06Å; A341-Y472 HydrophobicContact CB-CE2 4.23Å; D470-Y472 HydrophobicContact CB-CE1 4.19Å; D470-Y472 HydrophobicContact CB-CE2 4.45Å; D470-Y472 WeakPolarHBondContact O-CD2 3.04Å; D470-Y472 VanDerWaalsContact O-CE2 3.23Å; D470-Y472 WeakPolarHBondContact O-CE2 3.49Å; D470-Y472 PolarHBondContact OD1-N 3.36Å; Y472-D474 PolarHBondContact O-N 3.14Å; Y472-D474 VanDerWaalsContact O-N 3.15Å; Y472-K475 HydrophobicContact CD1-CG 4.37Å; Y472-K475 WeakPolarHBondContact O-CA 3.29Å; Y472-K475 WeakPolarHBondContact O-CB 3.48Å; Y472-K475 WeakPolarHBondContact O-CG 3.39Å; Y472-K475 PolarHBondContact O-N 3.38Å; Y472-F486 HydrophobicContact CG-CD2 4.47Å; Y472-F486 HydrophobicContact CG-CG 4.47Å; Y472-F486 WeakPolarHBondContact O-CD1 3.32Å; Y472-F486 WeakPolarHBondContact O-CE1 3.32Å
473	K	89.3	Confident	88.8	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.026	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-23.4	-175.2	-71.1	176.6	179.4	-65.5	0	113.6	D315 G336 D337 Y339 T471 K475 D575 Y578 H579	D315-K473 IonicContact OD2-NZ 2.64Å; D315-K473 PolarHBondContact OD2-NZ 2.85Å; G336-K473 CarbonylContact C-O 3.46Å; D337-K473 PolarHBondContact O-NZ 2.78Å; Y339-K473 PolarHBondContact O-NZ 3.06Å; T471-K473 PolarHBondContact O-N 3.22Å; K473-K475 VanDerWaalsContact C-N 3.35Å; K473-D575 VanDerWaalsContact CE-OD1 3.25Å; K473-D575 WeakPolarHBondContact CE-OD1 3.37Å; K473-Y578 HydrophobicContact CB-CD1 4.12Å; K473-Y578 HydrophobicContact CB-CD2 4.39Å; K473-Y578 HydrophobicContact CB-CE1 3.69Å; K473-Y578 HydrophobicContact CB-CE2 3.99Å; K473-Y578 HydrophobicContact CB-CG 4.43Å; K473-Y578 HydrophobicContact CD-CD1 3.22Å; K473-Y578 HydrophobicContact CD-CD2 4.35Å; K473-Y578 HydrophobicContact CD-CE1 3.6Å; K473-Y578 HydrophobicContact CD-CG 3.64Å; K473-Y578 HydrophobicContact CG-CD1 4.3Å; K473-Y578 HydrophobicContact CG-CE1 4.29Å; K473-H579 PolarHBondContact NZ-NE2 3.46Å
474	D	86.9	Confident	88.6	Confident	106 Å²	106	51.1 Å²	51.1	57%	0.567	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.1	173.8	72.4	-39.6	0	0	0	113.8	Y472	Y472-D474 PolarHBondContact O-N 3.14Å; Y472-D474 VanDerWaalsContact O-N 3.15Å
475	K	89.9	Confident	88.6	Confident	49 Å²	49	49.4 Å²	49.4	21%	0.213	26%	0.258	C	S	.	.	S	Bend	trans	-88.7	159.3	-176.9	-51.3	-62.7	-173.9	-86	0	111.3	D470 Y472 K473 L477 F486 E488	D470-K475 IonicContact OD2-NZ 3.29Å; Y472-K475 HydrophobicContact CD1-CG 4.37Å; Y472-K475 WeakPolarHBondContact O-CA 3.29Å; Y472-K475 WeakPolarHBondContact O-CB 3.48Å; Y472-K475 WeakPolarHBondContact O-CG 3.39Å; Y472-K475 PolarHBondContact O-N 3.38Å; K473-K475 VanDerWaalsContact C-N 3.35Å; K475-L477 PolarHBondContact O-N 3.01Å; K475-F486 HydrophobicContact CB-CB 4.43Å; K475-F486 HydrophobicContact CB-CD1 4.26Å; K475-E488 HydrophobicContact CD-CG 4.37Å
476	A	87.9	Confident	88.6	Confident	58 Å²	58	49.4 Å²	49.4	48%	0.479	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.1	177.7	0	0	0	0	0	110.6	E487	A476-E487 PolarHBondContact O-N 2.7Å
477	L	87.5	Confident	88.6	Confident	17 Å²	17	46.3 Å²	46.3	9%	0.089	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.5	166.5	-84.5	77.7	0	0	0	110.7	A312 I334 Y339 K475 L484 Y485 F486	A312-L477 HydrophobicContact CB-CD2 4.4Å; I334-L477 HydrophobicContact CB-CB 4Å; I334-L477 HydrophobicContact CD1-CB 4.45Å; I334-L477 HydrophobicContact CG2-CB 4.1Å; I334-L477 HydrophobicContact CG2-CD2 3.9Å; Y339-L477 HydrophobicContact CD1-CD2 4.13Å; Y339-L477 HydrophobicContact CD2-CD2 3.41Å; Y339-L477 VanDerWaalsContact CD2-CD2 3.41Å; Y339-L477 HydrophobicContact CE2-CD2 3.96Å; Y339-L477 HydrophobicContact CG-CD2 3.51Å; K475-L477 PolarHBondContact O-N 3.01Å; L477-L484 HydrophobicContact CD2-CB 4.27Å; L477-L484 HydrophobicContact CD2-CD1 4.25Å; L477-Y485 WeakPolarHBondContact CA-O 3.41Å; L477-F486 HydrophobicContact CD1-CD1 3.41Å; L477-F486 VanDerWaalsContact CD1-CD1 3.41Å; L477-F486 HydrophobicContact CD1-CE1 3.25Å; L477-F486 HydrophobicContact CD1-CG 4.48Å; L477-F486 HydrophobicContact CD1-CZ 4.19Å; L477-F486 HydrophobicContact CG-CD1 4Å; L477-F486 HydrophobicContact CG-CE1 4.03Å
478	I	87.6	Confident	88.5	Confident	48 Å²	48	45.7 Å²	45.7	25%	0.246	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.9	170.8	66.3	163.4	0	0	0	110.2	Y309 L484 Y485 E487	Y309-I478 HydrophobicContact CD1-CD1 3.63Å; Y309-I478 HydrophobicContact CD1-CG1 4.48Å; Y309-I478 HydrophobicContact CE1-CD1 3.5Å; Y309-I478 VanDerWaalsContact CE1-CD1 3.5Å; I478-L484 WeakPolarHBondContact O-CA 3.49Å; I478-Y485 PolarHBondContact N-O 2.78Å; I478-Y485 PolarHBondContact O-N 2.87Å; I478-E487 HydrophobicContact CG2-CB 4.22Å
479	K	84.3	Confident	88.5	Confident	94 Å²	94	46.9 Å²	46.9	41%	0.409	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.1	170.6	-175.6	169.1	-179.1	163.9	0	109.6	L285 K481 L484	L285-K479 HydrophobicContact CD2-CD 4.41Å; L285-K479 PolarHBondContact O-NZ 3.12Å; K479-K481 WeakPolarHBondContact CE-O 2.84Å; K479-K481 WeakPolarHBondContact CG-O 3.38Å; K479-L484 HydrophobicContact CB-CD2 3.88Å; K479-L484 HydrophobicContact CG-CD2 4.32Å
480	F	84.3	Confident	88.5	Confident	72 Å²	72	47.5 Å²	47.5	32%	0.316	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.3	169.5	-175	-94.2	0	0	0	109.1	E299 S482 Y483 Y485	E299-F480 HydrophobicContact CB-CE1 4.43Å; F480-S482 PolarHBondContact O-N 3.43Å; F480-Y483 PolarHBondContact N-O 3.49Å; F480-Y483 PolarHBondContact O-N 2.77Å; F480-Y483 VanDerWaalsContact O-N 3.11Å; F480-Y485 HydrophobicContact CB-CD2 3.95Å; F480-Y485 HydrophobicContact CB-CE2 3.81Å
481	K	84.6	Confident	88.4	Confident	107 Å²	107	51.1 Å²	51.1	47%	0.465	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-117.5	-170.3	-59.1	-177.7	172.7	-130.2	0	111.3	E299 K479	E299-K481 HydrophobicContact CB-CD 3.96Å; E299-K481 VanDerWaalsContact CD-CE 3.46Å; E299-K481 IonicContact OE1-NZ 3.58Å; E299-K481 PolarHBondContact OE1-NZ 3.28Å; E299-K481 WeakPolarHBondContact OE2-CE 3.32Å; E299-K481 IonicContact OE2-NZ 3.99Å; E299-K481 PolarHBondContact OE2-NZ 3.46Å; K479-K481 WeakPolarHBondContact CE-O 2.84Å; K479-K481 WeakPolarHBondContact CG-O 3.38Å
482	S	79.5	Confident	88.4	Confident	48 Å²	48	53 Å²	53	34%	0.336	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	1	-177.7	-50.3	0	0	0	0	113.6	Q289 F480	Q289-S482 VanDerWaalsContact OE1-CB 3.27Å; Q289-S482 PolarHBondContact OE1-OG 2.96Å; F480-S482 PolarHBondContact O-N 3.43Å
483	Y	83.5	Confident	88.4	Confident	26 Å²	26	57.1 Å²	57.1	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154	-172.6	-59.8	-86.2	0	0	0	111.7	Q289 L291 P292 P297 L311 F480	Q289-Y483 WeakPolarHBondContact O-CE1 2.94Å; Q289-Y483 PolarHBondContact O-OH 2.94Å; L291-Y483 HydrophobicContact CD2-CD1 3.97Å; L291-Y483 HydrophobicContact CD2-CE1 3.56Å; L291-Y483 HydrophobicContact CG-CE1 4.32Å; P292-Y483 WeakPolarHBondContact CD-OH 3.35Å; P297-Y483 HydrophobicContact CB-CD2 3.65Å; P297-Y483 HydrophobicContact CB-CE2 3.68Å; P297-Y483 HydrophobicContact CB-CG 4.13Å; P297-Y483 HydrophobicContact CG-CD1 3.61Å; P297-Y483 HydrophobicContact CG-CD2 3.53Å; P297-Y483 HydrophobicContact CG-CE1 3.78Å; P297-Y483 HydrophobicContact CG-CE2 3.73Å; P297-Y483 HydrophobicContact CG-CG 3.48Å; P297-Y483 VanDerWaalsContact CG-CG 3.48Å; L311-Y483 HydrophobicContact CD1-CD1 4.4Å; F480-Y483 PolarHBondContact N-O 3.49Å; F480-Y483 PolarHBondContact O-N 2.77Å; F480-Y483 VanDerWaalsContact O-N 3.11Å
484	L	88.4	Confident	88.5	Confident	23 Å²	23	64.4 Å²	64.4	12%	0.12	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	145.1	177	-66.4	171.7	0	0	0	109.9	A312 I334 Y339 L477 I478 K479	A312-L484 HydrophobicContact CB-CB 4.15Å; A312-L484 PolarHBondContact N-O 3Å; I334-L484 HydrophobicContact CD1-CD2 3.63Å; Y339-L484 HydrophobicContact CD1-CD1 3.99Å; Y339-L484 HydrophobicContact CE1-CD1 3.28Å; Y339-L484 HydrophobicContact CE2-CD1 4.18Å; Y339-L484 WeakPolarHBondContact OH-CD1 3.39Å; L477-L484 HydrophobicContact CD2-CB 4.27Å; L477-L484 HydrophobicContact CD2-CD1 4.25Å; I478-L484 WeakPolarHBondContact O-CA 3.49Å; K479-L484 HydrophobicContact CB-CD2 3.88Å; K479-L484 HydrophobicContact CG-CD2 4.32Å
485	Y	91.9	Very high	88.8	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.5	178.1	-60.3	-98.3	0	0	0	109.5	P297 H300 P301 I310 L311 L477 I478 F480	P297-Y485 WeakPolarHBondContact CG-OH 3.32Å; H300-Y485 HydrophobicContact CB-CE1 4.32Å; H300-Y485 WeakPolarHBondContact CB-OH 3.5Å; P301-Y485 HydrophobicContact CG-CD1 3.98Å; P301-Y485 HydrophobicContact CG-CD2 4.1Å; P301-Y485 HydrophobicContact CG-CE1 4.1Å; P301-Y485 HydrophobicContact CG-CE2 4.22Å; P301-Y485 HydrophobicContact CG-CG 3.99Å; I310-Y485 CarbonylContact O-C 3.58Å; I310-Y485 WeakPolarHBondContact O-CA 3.4Å; L311-Y485 HydrophobicContact CB-CD1 4.21Å; L311-Y485 HydrophobicContact CB-CE1 4.07Å; L311-Y485 HydrophobicContact CD1-CD1 4.25Å; L311-Y485 HydrophobicContact CD1-CE1 3.7Å; L477-Y485 WeakPolarHBondContact CA-O 3.41Å; I478-Y485 PolarHBondContact N-O 2.78Å; I478-Y485 PolarHBondContact O-N 2.87Å; F480-Y485 HydrophobicContact CB-CD2 3.95Å; F480-Y485 HydrophobicContact CB-CE2 3.81Å
486	F	93.1	Very high	89	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	131	161.5	-61.6	-78.3	0	0	0	108.8	Y309 I310 A312 Y472 K475 L477	Y309-F486 WeakPolarHBondContact CA-O 3.37Å; I310-F486 HydrophobicContact CB-CB 4.23Å; I310-F486 HydrophobicContact CB-CD2 4.46Å; I310-F486 HydrophobicContact CD1-CB 4.25Å; I310-F486 PolarHBondContact N-O 3.39Å; I310-F486 PolarHBondContact O-N 2.92Å; A312-F486 HydrophobicContact CB-CD2 3.77Å; A312-F486 HydrophobicContact CB-CE2 3.54Å; A312-F486 HydrophobicContact CB-CZ 4.2Å; Y472-F486 HydrophobicContact CG-CD2 4.47Å; Y472-F486 HydrophobicContact CG-CG 4.47Å; Y472-F486 WeakPolarHBondContact O-CD1 3.32Å; Y472-F486 WeakPolarHBondContact O-CE1 3.32Å; K475-F486 HydrophobicContact CB-CB 4.43Å; K475-F486 HydrophobicContact CB-CD1 4.26Å; L477-F486 HydrophobicContact CD1-CD1 3.41Å; L477-F486 VanDerWaalsContact CD1-CD1 3.41Å; L477-F486 HydrophobicContact CD1-CE1 3.25Å; L477-F486 HydrophobicContact CD1-CG 4.48Å; L477-F486 HydrophobicContact CD1-CZ 4.19Å; L477-F486 HydrophobicContact CG-CD1 4Å; L477-F486 HydrophobicContact CG-CE1 4.03Å
487	E	92.2	Very high	89.3	Confident	62 Å²	62	67 Å²	67	29%	0.29	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.6	173.6	-176.1	-178.9	-105.3	0	0	109.2	Y307 Y309 A476 I478	Y307-E487 HydrophobicContact CD1-CG 3.8Å; Y307-E487 HydrophobicContact CE1-CG 4.44Å; Y309-E487 HydrophobicContact CD1-CB 4.47Å; Y309-E487 HydrophobicContact CD1-CG 4.39Å; Y309-E487 HydrophobicContact CE1-CB 4.47Å; Y309-E487 HydrophobicContact CE1-CG 3.98Å; A476-E487 PolarHBondContact O-N 2.7Å; I478-E487 HydrophobicContact CG2-CB 4.22Å
488	E	90.8	Very high	89.6	Confident	35 Å²	35	69.8 Å²	69.8	16%	0.164	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.9	176.4	-164.9	-168.9	163.6	0	0	109.7	Y307 R308 I310 K475	Y307-E488 CarbonylContact C-O 3.57Å; Y307-E488 VanDerWaalsContact CA-O 3.31Å; Y307-E488 WeakPolarHBondContact CA-O 3.24Å; R308-E488 IonicContact CZ-OE1 3.12Å; R308-E488 IonicContact CZ-OE2 3.09Å; R308-E488 PolarHBondContact N-O 2.87Å; R308-E488 IonicContact NE-OE2 3.7Å; R308-E488 IonicContact NH1-OE2 3.91Å; R308-E488 PolarHBondContact NH1-OE2 3.43Å; R308-E488 VanDerWaalsContact NH1-OE2 3.1Å; R308-E488 IonicContact NH2-OE1 2.67Å; R308-E488 PolarHBondContact NH2-OE1 3Å; R308-E488 IonicContact NH2-OE2 3.74Å; R308-E488 PolarHBondContact NH2-OE2 3.35Å; R308-E488 PolarHBondContact O-N 2.86Å; I310-E488 HydrophobicContact CD1-CB 4.25Å; K475-E488 HydrophobicContact CD-CG 4.37Å
489	K	91.2	Very high	89.9	Confident	97 Å²	97	69.1 Å²	69.1	42%	0.422	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.3	176.4	-173	173.2	178.8	179.7	0	110.7	Y307 Y491	Y307-K489 HydrophobicContact CD1-CB 4.19Å; Y307-K489 HydrophobicContact CD1-CG 4.47Å; Y307-K489 HydrophobicContact CE1-CB 3.94Å; Y307-K489 HydrophobicContact CE1-CD 4.27Å; Y307-K489 HydrophobicContact CE1-CG 4.05Å; K489-Y491 HydrophobicContact CB-CE2 4.17Å; K489-Y491 HydrophobicContact CD-CE1 4.2Å; K489-Y491 HydrophobicContact CG-CE2 4.35Å; K489-Y491 VanDerWaalsContact O-CD2 3.26Å; K489-Y491 WeakPolarHBondContact O-CD2 3.31Å; K489-Y491 WeakPolarHBondContact O-CE2 3.35Å
490	D	90.3	Very high	90.4	Very high	32 Å²	32	71 Å²	71	17%	0.171	34%	0.341	C	S	.	.			trans	-77.8	132.1	174.3	-69.1	-26.8	0	0	0	111.3	G306 R308 L410 V492	G306-D490 PolarHBondContact O-N 3.1Å; R308-D490 IonicContact CZ-OD1 2.88Å; R308-D490 IonicContact NE-OD1 2.59Å; R308-D490 PolarHBondContact NE-OD1 3.29Å; R308-D490 IonicContact NH2-OD1 3.68Å; L410-D490 HydrophobicContact CD2-CB 3.92Å; L410-D490 WeakPolarHBondContact CD2-OD1 3.26Å; D490-V492 HydrophobicContact CB-CG2 4.25Å
491	Y	90.3	Very high	90.9	Very high	143 Å²	143	70.8 Å²	70.8	56%	0.561	35%	0.349	S	S	*	.			trans	-114	64.6	174.2	-62.9	-82	0	0	0	110.1	K489 D493 K494 A495	K489-Y491 HydrophobicContact CB-CE2 4.17Å; K489-Y491 HydrophobicContact CD-CE1 4.2Å; K489-Y491 HydrophobicContact CG-CE2 4.35Å; K489-Y491 VanDerWaalsContact O-CD2 3.26Å; K489-Y491 WeakPolarHBondContact O-CD2 3.31Å; K489-Y491 WeakPolarHBondContact O-CE2 3.35Å; Y491-D493 PolarHBondContact O-N 3Å; Y491-K494 WeakPolarHBondContact O-CB 3.29Å; Y491-K494 PolarHBondContact O-N 3.17Å; Y491-A495 PolarHBondContact O-N 3.05Å
492	V	90.6	Very high	91.4	Very high	52 Å²	52	66.4 Å²	66.4	32%	0.315	33%	0.331	S	S	.	.	H	α-helix	trans	-52.8	-48.9	-173.9	-175.4	0	0	0	0	112.2	F422 D490 K494 A495 E496	F422-V492 HydrophobicContact CE2-CG1 3.85Å; F422-V492 HydrophobicContact CZ-CG1 4.41Å; D490-V492 HydrophobicContact CB-CG2 4.25Å; V492-K494 VanDerWaalsContact C-N 3.26Å; V492-K494 PolarHBondContact O-N 3.05Å; V492-A495 PolarHBondContact O-N 3.36Å; V492-E496 HydrophobicContact CG1-CG 4.46Å; V492-E496 PolarHBondContact O-N 3.26Å
493	D	91.7	Very high	91.9	Very high	125 Å²	125	68.9 Å²	68.9	67%	0.668	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-33.9	179.6	-67.3	-24.9	0	0	0	113.3	Y491 K497	Y491-D493 PolarHBondContact O-N 3Å; D493-K497 WeakPolarHBondContact O-CD 3.38Å; D493-K497 WeakPolarHBondContact O-CG 3.17Å
494	K	92.9	Very high	92.3	Very high	158 Å²	158	72 Å²	72	69%	0.687	37%	0.365	S	S	*	.	H	α-helix	trans	-74	-45.2	177.4	-174.2	-176.5	174.8	-171.6	0	109.8	Y491 V492 E496 K497 S498	Y491-K494 WeakPolarHBondContact O-CB 3.29Å; Y491-K494 PolarHBondContact O-N 3.17Å; V492-K494 VanDerWaalsContact C-N 3.26Å; V492-K494 PolarHBondContact O-N 3.05Å; K494-E496 PolarHBondContact O-N 3.09Å; K494-K497 PolarHBondContact O-N 3.02Å; K494-S498 PolarHBondContact O-N 2.69Å; K494-S498 VanDerWaalsContact O-N 3.17Å; K494-S498 PolarHBondContact O-OG 2.99Å
495	A	92.7	Very high	92.8	Very high	22 Å²	22	71.2 Å²	71.2	18%	0.182	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-42.3	178.8	0	0	0	0	0	111.9	L410 F422 Y491 V492 K497 S498 L499	L410-A495 HydrophobicContact CD1-CB 3.2Å; F422-A495 HydrophobicContact CE1-CB 4.17Å; F422-A495 HydrophobicContact CZ-CB 4.02Å; Y491-A495 PolarHBondContact O-N 3.05Å; V492-A495 PolarHBondContact O-N 3.36Å; A495-K497 VanDerWaalsContact C-N 3.26Å; A495-K497 PolarHBondContact O-N 3.19Å; A495-S498 WeakPolarHBondContact CA-OG 3.36Å; A495-S498 PolarHBondContact O-N 3.15Å; A495-S498 VanDerWaalsContact O-N 3.1Å; A495-S498 PolarHBondContact O-OG 2.95Å; A495-L499 WeakPolarHBondContact O-CG 3.33Å; A495-L499 PolarHBondContact O-N 3.38Å
496	E	93.7	Very high	93.1	Very high	61 Å²	61	74.6 Å²	74.6	29%	0.285	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-35.4	176.5	-78.5	-158.7	-178.3	0	0	113.1	K421 F422 V492 K494 S498	K421-E496 HydrophobicContact CD-CB 4.45Å; K421-E496 HydrophobicContact CD-CG 4.2Å; K421-E496 IonicContact NZ-OE2 2.8Å; K421-E496 PolarHBondContact NZ-OE2 3.22Å; F422-E496 HydrophobicContact CE2-CG 3.55Å; F422-E496 HydrophobicContact CZ-CB 4.31Å; F422-E496 HydrophobicContact CZ-CG 3.44Å; F422-E496 VanDerWaalsContact CZ-CG 3.44Å; V492-E496 HydrophobicContact CG1-CG 4.46Å; V492-E496 PolarHBondContact O-N 3.26Å; K494-E496 PolarHBondContact O-N 3.09Å; E496-S498 VanDerWaalsContact C-N 3.32Å
497	K	94.1	Very high	93.3	Very high	185 Å²	185	74.6 Å²	74.6	80%	0.804	37%	0.373	S	S	*	.	H	α-helix	trans	-76.3	-22.1	178.5	-70.8	172.3	-175	174	0	112.6	D493 K494 A495	D493-K497 WeakPolarHBondContact O-CD 3.38Å; D493-K497 WeakPolarHBondContact O-CG 3.17Å; K494-K497 PolarHBondContact O-N 3.02Å; A495-K497 VanDerWaalsContact C-N 3.26Å; A495-K497 PolarHBondContact O-N 3.19Å
498	S	93	Very high	93.6	Very high	75 Å²	75	72 Å²	72	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-94	-2.6	178.7	60.5	0	0	0	0	114.1	K494 A495 E496 K500	K494-S498 PolarHBondContact O-N 2.69Å; K494-S498 VanDerWaalsContact O-N 3.17Å; K494-S498 PolarHBondContact O-OG 2.99Å; A495-S498 WeakPolarHBondContact CA-OG 3.36Å; A495-S498 PolarHBondContact O-N 3.15Å; A495-S498 VanDerWaalsContact O-N 3.1Å; A495-S498 PolarHBondContact O-OG 2.95Å; E496-S498 VanDerWaalsContact C-N 3.32Å; S498-K500 PolarHBondContact O-N 2.8Å
499	L	94.4	Very high	94	Very high	34 Å²	34	70.4 Å²	70.4	18%	0.178	35%	0.354	C	S	.	.			trans	-61	123.5	177.5	-72.2	171.6	0	0	0	110.8	K421 F422 A495 F524	K421-L499 HydrophobicContact CB-CD1 3.65Å; K421-L499 HydrophobicContact CD-CD1 4.06Å; K421-L499 HydrophobicContact CG-CD1 4.48Å; F422-L499 HydrophobicContact CD1-CD1 4.34Å; F422-L499 HydrophobicContact CD1-CD2 4.19Å; F422-L499 HydrophobicContact CE1-CD1 3.94Å; F422-L499 HydrophobicContact CE1-CD2 3.94Å; F422-L499 HydrophobicContact CE1-CG 4.18Å; F422-L499 HydrophobicContact CZ-CD1 4.42Å; A495-L499 WeakPolarHBondContact O-CG 3.33Å; A495-L499 PolarHBondContact O-N 3.38Å; L499-F524 HydrophobicContact CB-CB 4.41Å; L499-F524 HydrophobicContact CB-CD1 3.87Å; L499-F524 HydrophobicContact CB-CD2 4.41Å; L499-F524 HydrophobicContact CB-CE1 4.21Å; L499-F524 HydrophobicContact CB-CG 3.99Å; L499-F524 HydrophobicContact CD1-CD2 3.95Å; L499-F524 HydrophobicContact CD1-CE2 4.12Å; L499-F524 HydrophobicContact CD1-CG 4.33Å; L499-F524 HydrophobicContact CD2-CB 3.76Å; L499-F524 HydrophobicContact CD2-CD2 4.27Å; L499-F524 HydrophobicContact CD2-CG 4.04Å; L499-F524 HydrophobicContact CG-CD2 4.44Å; L499-F524 HydrophobicContact CG-CG 4.33Å
500	K	95.3	Very high	94.4	Very high	133 Å²	133	65.8 Å²	65.8	58%	0.578	33%	0.334	S	S	*	.			trans	-122.2	133	176	-63.8	173.2	-171	170.2	0	108.6	S498 F524 E525	S498-K500 PolarHBondContact O-N 2.8Å; K500-F524 CarbonylContact O-C 3.53Å; K500-F524 WeakPolarHBondContact O-CA 3.47Å; K500-E525 PolarHBondContact O-N 2.81Å
501	S	95	Very high	94.7	Very high	68 Å²	68	66.2 Å²	66.2	48%	0.476	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-72.5	141.4	173.6	-70.3	0	0	0	0	110.7	N522 L523	S501-N522 WeakPolarHBondContact CB-O 3.38Å; S501-N522 PolarHBondContact OG-O 3.28Å; S501-N522 VanDerWaalsContact OG-O 3.08Å; S501-L523 CarbonylContact C-O 3.51Å; S501-L523 VanDerWaalsContact CA-O 3.3Å; S501-L523 WeakPolarHBondContact CA-O 3.3Å
502	V	94.1	Very high	95.1	Very high	16 Å²	16	61.8 Å²	61.8	10%	0.097	32%	0.321	C	S	.	.			trans	-118.5	143.1	179.1	-69	0	0	0	0	111.2	P459 T462 S505 L523 E525	P459-V502 HydrophobicContact CG-CB 3.94Å; P459-V502 HydrophobicContact CG-CG2 3.99Å; T462-V502 HydrophobicContact CG2-CB 4.1Å; T462-V502 HydrophobicContact CG2-CG1 3.71Å; V502-S505 WeakPolarHBondContact O-CB 3.31Å; V502-S505 PolarHBondContact O-OG 3.34Å; V502-L523 WeakPolarHBondContact CG2-O 3.37Å; V502-L523 PolarHBondContact N-O 2.75Å; V502-E525 HydrophobicContact CG1-CB 3.59Å; V502-E525 HydrophobicContact CG1-CG 3.8Å
503	N	90.6	Very high	95.4	Very high	99 Å²	99	60.7 Å²	60.7	53%	0.529	32%	0.32	S	S	.	.	S	Bend	trans	-138.3	142	-177.8	-76.3	-38	0	0	0	111.7	N522	N503-N522 PolarHBondContact ND2-OD1 3.3Å; N503-N522 WeakPolarHBondContact OD1-CA 3.31Å; N503-N522 PolarHBondContact OD1-OD1 3.05Å
504	P	93	Very high	95.7	Very high	93 Å²	93	59.1 Å²	59.1	60%	0.604	32%	0.315	S	S	*	.	S	Bend	cis	-72.9	136.7	-6.1	30.9	-33.9	0	0	0	111.3	P459	P459-P504 VanDerWaalsContact CD-O 3.31Å; P459-P504 WeakPolarHBondContact CD-O 3.32Å
505	S	97.6	Very high	95.9	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.042	30%	0.297	C	S	.	.			trans	-149.7	140	169.4	67.8	0	0	0	0	110.3	E457 V502 E521 N522 L523	E457-S505 VanDerWaalsContact O-CA 3.3Å; E457-S505 WeakPolarHBondContact O-CA 3.3Å; V502-S505 WeakPolarHBondContact O-CB 3.31Å; V502-S505 PolarHBondContact O-OG 3.34Å; S505-E521 WeakPolarHBondContact O-CA 3.14Å; S505-N522 PolarHBondContact O-N 3.5Å; S505-L523 WeakPolarHBondContact OG-CB 3.14Å; S505-L523 PolarHBondContact OG-N 2.71Å
506	R	98	Very high	96.2	Very high	70 Å²	70	55.6 Å²	55.6	26%	0.264	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.5	-179	64.3	176.5	-179	-79.9	-16.2	114	I456 E457 V518 F520 E521	I456-R506 WeakPolarHBondContact CA-O 3.41Å; E457-R506 HydrophobicContact CB-CG 4.27Å; E457-R506 PolarHBondContact N-O 3.15Å; E457-R506 PolarHBondContact O-N 3.43Å; E457-R506 VanDerWaalsContact O-N 3.1Å; E457-R506 IonicContact OE1-CZ 3.67Å; E457-R506 IonicContact OE1-NH1 3.9Å; E457-R506 IonicContact OE1-NH2 2.86Å; E457-R506 PolarHBondContact OE1-NH2 2.82Å; E457-R506 IonicContact OE2-CZ 2.96Å; E457-R506 IonicContact OE2-NE 3.87Å; E457-R506 IonicContact OE2-NH1 2.63Å; E457-R506 PolarHBondContact OE2-NH1 3.45Å; E457-R506 IonicContact OE2-NH2 3Å; E457-R506 PolarHBondContact OE2-NH2 2.95Å; R506-V518 HydrophobicContact CB-CG1 4.41Å; R506-F520 CarbonylContact C-O 3.59Å; R506-F520 WeakPolarHBondContact CA-O 3.23Å; R506-F520 WeakPolarHBondContact CB-O 3.32Å; R506-E521 HydrophobicContact CB-CG 4.35Å
507	M	98.6	Very high	96.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.5	168.6	-65.4	175.7	-178.1	0	0	110.1	W406 Y424 F455 I456 F509 A519 F520 L523 Y528	W406-M507 HydrophobicContact CB-CE 3.64Å; W406-M507 HydrophobicContact CB-SD 4.34Å; W406-M507 HydrophobicContact CG-CE 3.92Å; W406-M507 HydrophobicContact CG-SD 4.33Å; Y424-M507 HydrophobicContact CD2-CE 3.84Å; Y424-M507 HydrophobicContact CG-CE 3.97Å; Y424-M507 HydrophobicContact CG-SD 4.08Å; F455-M507 VanDerWaalsContact O-CA 3.3Å; F455-M507 WeakPolarHBondContact O-CA 3.21Å; I456-M507 HydrophobicContact CB-CG 4.45Å; I456-M507 HydrophobicContact CD1-CE 3.74Å; I456-M507 HydrophobicContact CG1-CE 4.28Å; I456-M507 HydrophobicContact CG1-CG 4.04Å; M507-F509 HydrophobicContact CB-CE1 4.27Å; M507-A519 HydrophobicContact CB-CB 4.36Å; M507-A519 WeakPolarHBondContact O-CB 3.48Å; M507-A519 PolarHBondContact O-N 3.41Å; M507-F520 HydrophobicContact CB-CB 4.33Å; M507-F520 HydrophobicContact CB-CD2 4.37Å; M507-F520 PolarHBondContact N-O 2.94Å; M507-F520 PolarHBondContact O-N 2.82Å; M507-F520 HydrophobicContact SD-CB 4.37Å; M507-F520 HydrophobicContact SD-CD2 3.89Å; M507-F520 HydrophobicContact SD-CG 4.49Å; M507-L523 HydrophobicContact CE-CD1 3.82Å; M507-L523 HydrophobicContact CE-CD2 3.86Å; M507-L523 HydrophobicContact CE-CG 4.46Å; M507-L523 HydrophobicContact CG-CD1 3.99Å; M507-L523 HydrophobicContact CG-CD2 4.13Å; M507-L523 HydrophobicContact SD-CD2 4.16Å; M507-Y528 HydrophobicContact CE-CD1 4.05Å; M507-Y528 HydrophobicContact CE-CE1 3.89Å
508	L	98.5	Very high	96.6	Very high	9 Å²	9	48 Å²	48	5%	0.047	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.8	171.8	-51.5	173	0	0	0	108.7	F455 Y510 V518 I555	F455-L508 HydrophobicContact CB-CB 4.09Å; F455-L508 HydrophobicContact CD1-CB 4.04Å; F455-L508 HydrophobicContact CD1-CD1 3.8Å; F455-L508 HydrophobicContact CD1-CG 3.79Å; F455-L508 HydrophobicContact CE1-CD1 4.17Å; F455-L508 HydrophobicContact CE1-CG 4.41Å; F455-L508 HydrophobicContact CG-CB 4.46Å; F455-L508 HydrophobicContact CG-CD1 4.46Å; F455-L508 PolarHBondContact N-O 3.1Å; F455-L508 PolarHBondContact O-N 3.47Å; L508-Y510 HydrophobicContact CB-CE2 3.95Å; L508-V518 HydrophobicContact CD2-CB 4.16Å; L508-V518 HydrophobicContact CD2-CG1 4.41Å; L508-V518 HydrophobicContact CD2-CG2 3.73Å; L508-I555 HydrophobicContact CD1-CD1 3.75Å
509	F	98.6	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.9	174.2	-56.6	-33.4	0	0	0	110.9	W426 Y442 G453 F454 M507 Q516 A519 F520	W426-F509 HydrophobicContact CB-CD2 3.73Å; W426-F509 HydrophobicContact CB-CE2 3.69Å; W426-F509 HydrophobicContact CD2-CB 4.3Å; W426-F509 AromaticContact CD2-CD2 3.96Å; W426-F509 HydrophobicContact CD2-CD2 3.96Å; W426-F509 HydrophobicContact CD2-CG 4.42Å; W426-F509 HydrophobicContact CE3-CB 3.64Å; W426-F509 AromaticContact CE3-CD2 3.95Å; W426-F509 HydrophobicContact CE3-CD2 3.95Å; W426-F509 AromaticContact CE3-CG 3.95Å; W426-F509 HydrophobicContact CE3-CG 3.95Å; W426-F509 AromaticContact CG-CD2 3.91Å; W426-F509 HydrophobicContact CG-CD2 3.91Å; W426-F509 HydrophobicContact CG-CE2 4.32Å; W426-F509 HydrophobicContact CH2-CB 4.36Å; W426-F509 HydrophobicContact CZ3-CB 3.68Å; W426-F509 HydrophobicContact CZ3-CG 4.47Å; Y442-F509 HydrophobicContact CD1-CD2 4.4Å; Y442-F509 HydrophobicContact CE1-CB 4.02Å; Y442-F509 AromaticContact CE1-CD2 3.68Å; Y442-F509 HydrophobicContact CE1-CD2 3.68Å; Y442-F509 HydrophobicContact CE1-CG 4.31Å; Y442-F509 PolarHBondContact OH-N 3.5Å; G453-F509 CarbonylContact O-C 3.45Å; G453-F509 WeakPolarHBondContact O-CA 3.46Å; F454-F509 HydrophobicContact CB-CD1 4.5Å; F454-F509 AromaticContact CD1-CD1 3.45Å; F454-F509 HydrophobicContact CD1-CD1 3.45Å; F454-F509 VanDerWaalsContact CD1-CD1 3.45Å; F454-F509 AromaticContact CD1-CE1 3.53Å; F454-F509 HydrophobicContact CD1-CE1 3.53Å; F454-F509 HydrophobicContact CD1-CG 4.26Å; F454-F509 HydrophobicContact CD1-CZ 4.34Å; F454-F509 AromaticContact CE1-CD1 4Å; F454-F509 HydrophobicContact CE1-CD1 4Å; F454-F509 HydrophobicContact CE1-CE1 4.15Å; F454-F509 HydrophobicContact CE1-CG 4.39Å; F454-F509 HydrophobicContact CG-CD1 4.32Å; M507-F509 HydrophobicContact CB-CE1 4.27Å; F509-Q516 WeakPolarHBondContact O-CB 3.44Å; F509-Q516 PolarHBondContact O-N 3.46Å; F509-A519 HydrophobicContact CD1-CB 4.38Å; F509-A519 HydrophobicContact CD2-CB 3.41Å; F509-A519 VanDerWaalsContact CD2-CB 3.41Å; F509-A519 HydrophobicContact CE1-CB 4.26Å; F509-A519 HydrophobicContact CE2-CB 3.3Å; F509-A519 HydrophobicContact CG-CB 3.96Å; F509-A519 HydrophobicContact CZ-CB 3.76Å; F509-F520 HydrophobicContact CE2-CE2 4.15Å; F509-F520 HydrophobicContact CZ-CD2 4.32Å; F509-F520 HydrophobicContact CZ-CE2 4.17Å
510	Y	98.7	Very high	97	Very high	1 Å²	1	44 Å²	44	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.8	-177.3	-66.2	-105.3	0	0	0	109.5	Y388 L452 G453 F455 L508 V514 N515 P552 D554 I555	Y388-Y510 HydrophobicContact CE2-CD2 4.08Å; L452-Y510 CarbonylContact C-O 3.56Å; L452-Y510 VanDerWaalsContact CA-O 3.23Å; L452-Y510 WeakPolarHBondContact CA-O 3.36Å; G453-Y510 PolarHBondContact N-O 3.09Å; G453-Y510 PolarHBondContact O-N 3.04Å; F455-Y510 HydrophobicContact CB-CE2 4.11Å; L508-Y510 HydrophobicContact CB-CE2 3.95Å; Y510-V514 CarbonylContact C-O 3.55Å; Y510-V514 VanDerWaalsContact CA-O 3.32Å; Y510-V514 WeakPolarHBondContact CA-O 3.35Å; Y510-N515 HydrophobicContact CD1-CB 3.92Å; Y510-N515 HydrophobicContact CE1-CB 3.55Å; Y510-P552 HydrophobicContact CE1-CB 4.08Å; Y510-P552 HydrophobicContact CE1-CG 4.4Å; Y510-P552 HydrophobicContact CE2-CG 4.35Å; Y510-D554 VanDerWaalsContact CE1-OD1 3.27Å; Y510-D554 WeakPolarHBondContact CE1-OD1 3.36Å; Y510-D554 VanDerWaalsContact OH-CG 3.3Å; Y510-D554 PolarHBondContact OH-OD1 2.99Å; Y510-D554 PolarHBondContact OH-OD2 3.25Å; Y510-I555 WeakPolarHBondContact OH-CG2 3.36Å
511	K	98.4	Very high	97.1	Very high	40 Å²	40	43.4 Å²	43.4	17%	0.174	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	113.8	170.6	-170	177.9	-177.6	-179.9	0	108.8	W426 S445 D450 L452 G513 V514 Q516	W426-K511 HydrophobicContact CH2-CB 4.11Å; S445-K511 PolarHBondContact O-NZ 3.47Å; D450-K511 WeakPolarHBondContact OD1-CE 3.42Å; D450-K511 IonicContact OD1-NZ 3.07Å; D450-K511 WeakPolarHBondContact OD2-CE 3.49Å; D450-K511 IonicContact OD2-NZ 3.77Å; D450-K511 PolarHBondContact OD2-NZ 2.76Å; D450-K511 VanDerWaalsContact OD2-NZ 3.09Å; L452-K511 HydrophobicContact CD2-CB 4.25Å; L452-K511 HydrophobicContact CD2-CG 3.9Å; K511-G513 PolarHBondContact O-N 2.81Å; K511-V514 PolarHBondContact N-O 3.47Å; K511-V514 WeakPolarHBondContact O-CB 3.48Å; K511-V514 PolarHBondContact O-N 3.17Å; K511-Q516 HydrophobicContact CB-CG 4.18Å
512	N	97.9	Very high	97.1	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.273	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	43.3	-178.6	-54.4	-41	0	0	0	112	D450 T451 V514 Y550	D450-N512 PolarHBondContact OD1-ND2 3.09Å; T451-N512 PolarHBondContact N-OD1 3.08Å; T451-N512 WeakPolarHBondContact O-CA 3.21Å; T451-N512 PolarHBondContact O-N 2.8Å; T451-N512 PolarHBondContact O-OD1 2.84Å; N512-V514 VanDerWaalsContact C-N 3.31Å; N512-V514 PolarHBondContact O-N 2.87Å; N512-Y550 HydrophobicContact CB-CD2 4.3Å; N512-Y550 HydrophobicContact CB-CE2 4.02Å
513	G	96.4	Very high	97.3	Very high	29 Å²	29	43.1 Å²	43.1	30%	0.299	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-7.3	-177.4	0	0	0	0	0	116.1	K511	K511-G513 PolarHBondContact O-N 2.81Å
514	V	97.8	Very high	97.6	Very high	92 Å²	92	40 Å²	40	56%	0.558	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.7	179.3	-175.8	0	0	0	0	110.6	Y510 K511 N512 Q516	Y510-V514 CarbonylContact C-O 3.55Å; Y510-V514 VanDerWaalsContact CA-O 3.32Å; Y510-V514 WeakPolarHBondContact CA-O 3.35Å; K511-V514 PolarHBondContact N-O 3.47Å; K511-V514 WeakPolarHBondContact O-CB 3.48Å; K511-V514 PolarHBondContact O-N 3.17Å; N512-V514 VanDerWaalsContact C-N 3.31Å; N512-V514 PolarHBondContact O-N 2.87Å; V514-Q516 PolarHBondContact O-N 3.4Å; V514-Q516 PolarHBondContact O-NE2 2.91Å
515	N	98.1	Very high	97.8	Very high	58 Å²	58	37.4 Å²	37.4	31%	0.31	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	127.2	176.3	-169.6	-17.9	0	0	0	111.1	Y510 G517 D554	Y510-N515 HydrophobicContact CD1-CB 3.92Å; Y510-N515 HydrophobicContact CE1-CB 3.55Å; N515-G517 WeakPolarHBondContact OD1-CA 3.44Å; N515-G517 PolarHBondContact OD1-N 2.98Å; N515-D554 PolarHBondContact ND2-OD2 3.36Å
516	Q	98.1	Very high	97.7	Very high	47 Å²	47	37.8 Å²	37.8	22%	0.22	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	6.5	178.8	-57.6	-59.7	-68.4	0	0	113	W426 Y442 F509 K511 V514	W426-Q516 HydrophobicContact CH2-CG 3.77Å; W426-Q516 HydrophobicContact CZ2-CG 4.03Å; Y442-Q516 HydrophobicContact CE1-CB 3.84Å; F509-Q516 WeakPolarHBondContact O-CB 3.44Å; F509-Q516 PolarHBondContact O-N 3.46Å; K511-Q516 HydrophobicContact CB-CG 4.18Å; V514-Q516 PolarHBondContact O-N 3.4Å; V514-Q516 PolarHBondContact O-NE2 2.91Å
517	G	97.4	Very high	97.6	Very high	31 Å²	31	37.3 Å²	37.3	32%	0.32	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	90	-171.9	-179.2	0	0	0	0	0	113.3	Y442 N515 A519	Y442-G517 PolarHBondContact OH-O 3.05Å; N515-G517 WeakPolarHBondContact OD1-CA 3.44Å; N515-G517 PolarHBondContact OD1-N 2.98Å; G517-A519 PolarHBondContact O-N 3.28Å
518	V	98.1	Very high	97.6	Very high	57 Å²	57	37.3 Å²	37.3	35%	0.345	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.3	-175.5	-172.6	0	0	0	0	111.7	R433 Y442 R506 L508 E521	R433-V518 PolarHBondContact NH1-O 3.46Å; Y442-V518 WeakPolarHBondContact CE2-O 3.13Å; R506-V518 HydrophobicContact CB-CG1 4.41Å; L508-V518 HydrophobicContact CD2-CB 4.16Å; L508-V518 HydrophobicContact CD2-CG1 4.41Å; L508-V518 HydrophobicContact CD2-CG2 3.73Å; V518-E521 HydrophobicContact CG1-CG 3.36Å
519	A	98.3	Very high	97.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-43.2	180	0	0	0	0	0	112.1	R433 Y442 M507 F509 G517	R433-A519 WeakPolarHBondContact CD-O 3.37Å; R433-A519 PolarHBondContact NH1-O 3Å; Y442-A519 HydrophobicContact CE1-CB 4.31Å; Y442-A519 VanDerWaalsContact CE2-CA 3.47Å; Y442-A519 HydrophobicContact CE2-CB 3.91Å; M507-A519 HydrophobicContact CB-CB 4.36Å; M507-A519 WeakPolarHBondContact O-CB 3.48Å; M507-A519 PolarHBondContact O-N 3.41Å; F509-A519 HydrophobicContact CD1-CB 4.38Å; F509-A519 HydrophobicContact CD2-CB 3.41Å; F509-A519 VanDerWaalsContact CD2-CB 3.41Å; F509-A519 HydrophobicContact CE1-CB 4.26Å; F509-A519 HydrophobicContact CE2-CB 3.3Å; F509-A519 HydrophobicContact CG-CB 3.96Å; F509-A519 HydrophobicContact CZ-CB 3.76Å; G517-A519 PolarHBondContact O-N 3.28Å
520	F	98.5	Very high	97.6	Very high	25 Å²	25	38.6 Å²	38.6	11%	0.11	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.9	177.5	-61.4	-82.1	0	0	0	109.9	Y424 R433 H435 R506 M507 F509 L523	Y424-F520 HydrophobicContact CD1-CB 4.21Å; Y424-F520 AromaticContact CD1-CD1 3.61Å; Y424-F520 HydrophobicContact CD1-CD1 3.61Å; Y424-F520 AromaticContact CD1-CD2 3.99Å; Y424-F520 HydrophobicContact CD1-CD2 3.99Å; Y424-F520 AromaticContact CD1-CE1 3.88Å; Y424-F520 HydrophobicContact CD1-CE1 3.88Å; Y424-F520 HydrophobicContact CD1-CE2 4.25Å; Y424-F520 AromaticContact CD1-CG 3.66Å; Y424-F520 HydrophobicContact CD1-CG 3.66Å; Y424-F520 HydrophobicContact CD1-CZ 4.17Å; Y424-F520 HydrophobicContact CE1-CD1 4.2Å; Y424-F520 HydrophobicContact CE1-CG 4.39Å; Y424-F520 HydrophobicContact CG-CD2 4.38Å; Y424-F520 HydrophobicContact CG-CG 4.45Å; R433-F520 HydrophobicContact CB-CE1 4.43Å; R433-F520 HydrophobicContact CB-CE2 4.08Å; R433-F520 HydrophobicContact CB-CZ 3.7Å; R433-F520 HydrophobicContact CG-CE1 4.43Å; R433-F520 HydrophobicContact CG-CZ 4.18Å; H435-F520 HydrophobicContact CB-CE1 3.7Å; H435-F520 HydrophobicContact CB-CZ 4.19Å; R506-F520 CarbonylContact C-O 3.59Å; R506-F520 WeakPolarHBondContact CA-O 3.23Å; R506-F520 WeakPolarHBondContact CB-O 3.32Å; M507-F520 HydrophobicContact CB-CB 4.33Å; M507-F520 HydrophobicContact CB-CD2 4.37Å; M507-F520 PolarHBondContact N-O 2.94Å; M507-F520 PolarHBondContact O-N 2.82Å; M507-F520 HydrophobicContact SD-CB 4.37Å; M507-F520 HydrophobicContact SD-CD2 3.89Å; M507-F520 HydrophobicContact SD-CG 4.49Å; F509-F520 HydrophobicContact CE2-CE2 4.15Å; F509-F520 HydrophobicContact CZ-CD2 4.32Å; F509-F520 HydrophobicContact CZ-CE2 4.17Å; F520-L523 HydrophobicContact CB-CD2 3.73Å
521	E	97.5	Very high	97.6	Very high	120 Å²	120	38.6 Å²	38.6	56%	0.561	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	161.5	174.6	-61.7	-177.8	141.3	0	0	108.4	S505 R506 V518	S505-E521 WeakPolarHBondContact O-CA 3.14Å; R506-E521 HydrophobicContact CB-CG 4.35Å; V518-E521 HydrophobicContact CG1-CG 3.36Å
522	N	95.3	Very high	97.7	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	21%	0.208	S	C	.	.	S	Bend	trans	58.5	46.7	179.6	-44.5	-94.5	0	0	0	111.9	S501 N503 S505	S501-N522 WeakPolarHBondContact CB-O 3.38Å; S501-N522 PolarHBondContact OG-O 3.28Å; S501-N522 VanDerWaalsContact OG-O 3.08Å; N503-N522 PolarHBondContact ND2-OD1 3.3Å; N503-N522 WeakPolarHBondContact OD1-CA 3.31Å; N503-N522 PolarHBondContact OD1-OD1 3.05Å; S505-N522 PolarHBondContact O-N 3.5Å
523	L	97.8	Very high	97.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-57.6	153	178.8	-53.4	179.4	0	0	0	110.9	Y424 I456 L458 S501 V502 S505 M507 F520	Y424-L523 HydrophobicContact CD1-CD2 4.46Å; Y424-L523 HydrophobicContact CE1-CD2 4.14Å; I456-L523 HydrophobicContact CD1-CD1 4.08Å; I456-L523 HydrophobicContact CG1-CD1 3.95Å; L458-L523 HydrophobicContact CD2-CD1 3.91Å; S501-L523 CarbonylContact C-O 3.51Å; S501-L523 VanDerWaalsContact CA-O 3.3Å; S501-L523 WeakPolarHBondContact CA-O 3.3Å; V502-L523 WeakPolarHBondContact CG2-O 3.37Å; V502-L523 PolarHBondContact N-O 2.75Å; S505-L523 WeakPolarHBondContact OG-CB 3.14Å; S505-L523 PolarHBondContact OG-N 2.71Å; M507-L523 HydrophobicContact CE-CD1 3.82Å; M507-L523 HydrophobicContact CE-CD2 3.86Å; M507-L523 HydrophobicContact CE-CG 4.46Å; M507-L523 HydrophobicContact CG-CD1 3.99Å; M507-L523 HydrophobicContact CG-CD2 4.13Å; M507-L523 HydrophobicContact SD-CD2 4.16Å; F520-L523 HydrophobicContact CB-CD2 3.73Å
524	F	97.8	Very high	97.8	Very high	32 Å²	32	33 Å²	33	14%	0.14	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-71.4	142.7	171.5	-64.3	-53.8	0	0	0	111	Q408 K421 Y424 H435 L499 K500 Y528	Q408-F524 PolarHBondContact NE2-O 3.27Å; K421-F524 HydrophobicContact CB-CE2 4.27Å; K421-F524 WeakPolarHBondContact O-CD2 3.42Å; Y424-F524 WeakPolarHBondContact OH-CD2 3.37Å; Y424-F524 PolarHBondContact OH-N 3.23Å; H435-F524 AromaticContact CE1-CE2 4Å; H435-F524 AromaticContact NE2-CE2 3.87Å; L499-F524 HydrophobicContact CB-CB 4.41Å; L499-F524 HydrophobicContact CB-CD1 3.87Å; L499-F524 HydrophobicContact CB-CD2 4.41Å; L499-F524 HydrophobicContact CB-CE1 4.21Å; L499-F524 HydrophobicContact CB-CG 3.99Å; L499-F524 HydrophobicContact CD1-CD2 3.95Å; L499-F524 HydrophobicContact CD1-CE2 4.12Å; L499-F524 HydrophobicContact CD1-CG 4.33Å; L499-F524 HydrophobicContact CD2-CB 3.76Å; L499-F524 HydrophobicContact CD2-CD2 4.27Å; L499-F524 HydrophobicContact CD2-CG 4.04Å; L499-F524 HydrophobicContact CG-CD2 4.44Å; L499-F524 HydrophobicContact CG-CG 4.33Å; K500-F524 CarbonylContact O-C 3.53Å; K500-F524 WeakPolarHBondContact O-CA 3.47Å; F524-Y528 PolarHBondContact N-OH 2.92Å; F524-Y528 VanDerWaalsContact O-CE2 3.26Å; F524-Y528 WeakPolarHBondContact O-CE2 3.26Å; F524-Y528 PolarHBondContact O-OH 2.9Å
525	E	96.4	Very high	97.7	Very high	40 Å²	40	32.1 Å²	32.1	19%	0.187	17%	0.168	C	C	.	.	S	Bend	trans	-57.4	139.9	172.3	-159.4	179.8	158.1	0	0	110.3	Q408 T462 E463 T464 K500 V502	Q408-E525 PolarHBondContact NE2-O 3.29Å; Q408-E525 VanDerWaalsContact NE2-O 3.11Å; T462-E525 HydrophobicContact CG2-CG 4.42Å; E463-E525 PolarHBondContact N-OE1 2.99Å; T464-E525 WeakPolarHBondContact CB-OE1 3.42Å; T464-E525 PolarHBondContact N-OE1 3.22Å; T464-E525 WeakPolarHBondContact OG1-CG 3.27Å; T464-E525 PolarHBondContact OG1-OE1 3.14Å; K500-E525 PolarHBondContact O-N 2.81Å; V502-E525 HydrophobicContact CG1-CB 3.59Å; V502-E525 HydrophobicContact CG1-CG 3.8Å
526	G	95.4	Very high	97.6	Very high	14 Å²	14	32.6 Å²	32.6	14%	0.144	17%	0.168	C	C	.	.	S	Bend	trans	151	178.2	177.5	0	0	0	0	0	112.8
527	I	96.7	Very high	97.4	Very high	59 Å²	59	33.5 Å²	33.5	30%	0.303	18%	0.179	S	C	.	.			trans	-86.4	132	174.5	-51.5	178.7	0	0	0	108.6	V382 R383 Q408 P409 T464 F529	V382-I527 CarbonylContact O-C 3.53Å; V382-I527 WeakPolarHBondContact O-CA 3.03Å; R383-I527 HydrophobicContact CB-CG1 4.16Å; Q408-I527 WeakPolarHBondContact CA-O 3.44Å; P409-I527 WeakPolarHBondContact CD-O 3.34Å; T464-I527 HydrophobicContact CG2-CG1 4.09Å; I527-F529 HydrophobicContact CB-CE2 4.05Å; I527-F529 HydrophobicContact CG2-CD2 4.3Å; I527-F529 HydrophobicContact CG2-CE2 3.51Å; I527-F529 HydrophobicContact CG2-CZ 3.8Å
528	Y	98.4	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-113.7	132.2	-179.8	-77.6	-87.6	0	0	0	112.1	G381 V382 W406 Q408 Y424 I456 L458 M507 F524	G381-Y528 CarbonylContact C-O 3.55Å; G381-Y528 WeakPolarHBondContact CA-O 3.33Å; V382-Y528 PolarHBondContact N-O 2.99Å; V382-Y528 PolarHBondContact O-N 3.27Å; W406-Y528 HydrophobicContact CB-CD1 4.01Å; Q408-Y528 HydrophobicContact CG-CD1 3.94Å; Q408-Y528 HydrophobicContact CG-CD2 4.45Å; Q408-Y528 HydrophobicContact CG-CE1 3.66Å; Q408-Y528 HydrophobicContact CG-CE2 4.2Å; Q408-Y528 HydrophobicContact CG-CG 4.35Å; Q408-Y528 PolarHBondContact NE2-OH 3.44Å; Q408-Y528 VanDerWaalsContact NE2-OH 3.17Å; Y424-Y528 AromaticContact CD2-CE1 3.8Å; Y424-Y528 HydrophobicContact CD2-CE1 3.8Å; Y424-Y528 AromaticContact CE2-CE1 3.66Å; Y424-Y528 HydrophobicContact CE2-CE1 3.66Å; Y424-Y528 AromaticContact CE2-CZ 4Å; Y424-Y528 WeakPolarHBondContact CE2-OH 3.26Å; I456-Y528 HydrophobicContact CD1-CD1 4.22Å; I456-Y528 HydrophobicContact CD1-CD2 3.99Å; I456-Y528 HydrophobicContact CD1-CG 3.72Å; L458-Y528 HydrophobicContact CD1-CD2 4.03Å; L458-Y528 HydrophobicContact CD2-CD2 4.01Å; L458-Y528 HydrophobicContact CD2-CE2 4.1Å; M507-Y528 HydrophobicContact CE-CD1 4.05Å; M507-Y528 HydrophobicContact CE-CE1 3.89Å; F524-Y528 PolarHBondContact N-OH 2.92Å; F524-Y528 VanDerWaalsContact O-CE2 3.26Å; F524-Y528 WeakPolarHBondContact O-CE2 3.26Å; F524-Y528 PolarHBondContact O-OH 2.9Å
529	F	98.6	Very high	97.3	Very high	32 Å²	32	30.3 Å²	30.3	14%	0.14	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.4	179.1	-62.3	-103.1	0	0	0	109.3	R377 A378 H380 G381 W406 S407 P409 I527 A531	R377-F529 HydrophobicContact CB-CB 4.13Å; R377-F529 HydrophobicContact CG-CB 4.21Å; A378-F529 WeakPolarHBondContact O-CD1 3.25Å; H380-F529 VanDerWaalsContact C-CE1 3.49Å; H380-F529 VanDerWaalsContact O-CD1 3.25Å; H380-F529 WeakPolarHBondContact O-CD1 3.18Å; G381-F529 VanDerWaalsContact N-CE1 3.27Å; W406-F529 WeakPolarHBondContact CA-O 3.45Å; S407-F529 PolarHBondContact N-O 2.67Å; S407-F529 PolarHBondContact O-N 2.91Å; P409-F529 HydrophobicContact CG-CD2 4.39Å; P409-F529 HydrophobicContact CG-CE2 3.68Å; P409-F529 HydrophobicContact CG-CZ 4.45Å; I527-F529 HydrophobicContact CB-CE2 4.05Å; I527-F529 HydrophobicContact CG2-CD2 4.3Å; I527-F529 HydrophobicContact CG2-CE2 3.51Å; I527-F529 HydrophobicContact CG2-CZ 3.8Å; F529-A531 PolarHBondContact O-N 3.29Å
530	P	98.8	Very high	97.3	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.5	129.5	162.3	-27.1	35.3	0	0	0	109.8	R377 A378 F389 W406 F544 M560	R377-P530 CarbonylContact C-O 3.46Å; R377-P530 WeakPolarHBondContact CA-O 3.22Å; A378-P530 HydrophobicContact CB-CB 3.94Å; A378-P530 HydrophobicContact CB-CG 4.06Å; A378-P530 PolarHBondContact N-O 3.23Å; F389-P530 HydrophobicContact CD1-CB 3.94Å; F389-P530 HydrophobicContact CD1-CG 3.84Å; F389-P530 HydrophobicContact CD2-CB 4.2Å; F389-P530 HydrophobicContact CE1-CB 3.59Å; F389-P530 HydrophobicContact CE1-CG 3.85Å; F389-P530 HydrophobicContact CE2-CB 3.86Å; F389-P530 HydrophobicContact CG-CB 4.24Å; F389-P530 HydrophobicContact CG-CG 4.31Å; F389-P530 HydrophobicContact CZ-CB 3.57Å; F389-P530 HydrophobicContact CZ-CG 4.34Å; W406-P530 HydrophobicContact CE3-CG 4.33Å; W406-P530 HydrophobicContact CH2-CG 4.1Å; W406-P530 HydrophobicContact CZ3-CG 3.76Å; P530-F544 HydrophobicContact CB-CE1 3.94Å; P530-F544 HydrophobicContact CG-CD1 4.48Å; P530-F544 HydrophobicContact CG-CE1 4.04Å; P530-M560 HydrophobicContact CG-CE 3.79Å; P530-M560 HydrophobicContact CG-CG 3.98Å; P530-M560 HydrophobicContact CG-SD 4.11Å
531	A	98.8	Very high	97.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.4	-172	0	0	0	0	0	111.9	M375 V376 R377 G405 L417 F529	M375-A531 HydrophobicContact SD-CB 4.43Å; V376-A531 WeakPolarHBondContact O-CA 3.43Å; R377-A531 HydrophobicContact CG-CB 4.05Å; G405-A531 PolarHBondContact N-O 2.71Å; G405-A531 PolarHBondContact O-N 2.97Å; L417-A531 HydrophobicContact CD1-CB 3.6Å; L417-A531 HydrophobicContact CD2-CB 4.02Å; L417-A531 WeakPolarHBondContact CD2-O 3.4Å; L417-A531 HydrophobicContact CG-CB 4.49Å; F529-A531 PolarHBondContact O-N 3.29Å
532	I	98.8	Very high	97.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	128.5	-175	-63.9	172.6	0	0	0	107.8	L349 V367 M375 V376 V391 L404 L534 V540 V542	L349-I532 HydrophobicContact CD2-CD1 4.1Å; V367-I532 HydrophobicContact CG1-CB 4.41Å; V367-I532 HydrophobicContact CG1-CD1 4.03Å; V367-I532 HydrophobicContact CG1-CG2 3.8Å; M375-I532 CarbonylContact C-O 3.56Å; M375-I532 VanDerWaalsContact CA-O 3.23Å; M375-I532 WeakPolarHBondContact CA-O 3.31Å; M375-I532 WeakPolarHBondContact CG-O 3.36Å; V376-I532 HydrophobicContact CG1-CB 3.99Å; V376-I532 PolarHBondContact N-O 2.91Å; V376-I532 PolarHBondContact O-N 3.38Å; V391-I532 HydrophobicContact CG2-CD1 4.49Å; L404-I532 HydrophobicContact CD2-CB 4.17Å; L404-I532 HydrophobicContact CD2-CG1 4.05Å; L404-I532 HydrophobicContact CD2-CG2 3.72Å; I532-L534 HydrophobicContact CG2-CD1 4.28Å; I532-L534 HydrophobicContact CG2-CD2 3.78Å; I532-L534 HydrophobicContact CG2-CG 3.86Å; I532-V540 HydrophobicContact CD1-CG2 3.98Å; I532-V540 HydrophobicContact CG2-CG2 3.54Å; I532-V542 HydrophobicContact CD1-CB 4.23Å
533	S	98.3	Very high	97.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	129.6	171.4	-177.1	0	0	0	0	112.4	S374 A402 R403 P416 L417	S374-S533 CarbonylContact O-C 3.59Å; S374-S533 WeakPolarHBondContact O-CA 3.49Å; S374-S533 WeakPolarHBondContact O-CB 3.44Å; S374-S533 PolarHBondContact O-OG 3.18Å; A402-S533 CarbonylContact C-O 3.58Å; A402-S533 WeakPolarHBondContact CA-O 3.45Å; R403-S533 PolarHBondContact N-O 3.46Å; R403-S533 PolarHBondContact O-N 3.47Å; P416-S533 WeakPolarHBondContact CA-OG 3.47Å; L417-S533 PolarHBondContact N-OG 3.38Å
534	L	98.2	Very high	97.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137	-170.6	-55.7	176.7	0	0	0	110.5	L358 V367 Y373 S374 A402 I532 C538 V540	L358-L534 HydrophobicContact CD2-CD1 4.42Å; V367-L534 HydrophobicContact CB-CD1 4.42Å; V367-L534 HydrophobicContact CG1-CD1 4.03Å; V367-L534 HydrophobicContact CG2-CD1 4Å; V367-L534 VanDerWaalsContact O-CD1 3.3Å; V367-L534 WeakPolarHBondContact O-CD1 3.37Å; Y373-L534 WeakPolarHBondContact CA-O 3.36Å; S374-L534 PolarHBondContact N-O 2.82Å; S374-L534 PolarHBondContact O-N 2.87Å; A402-L534 HydrophobicContact CB-CD2 3.97Å; I532-L534 HydrophobicContact CG2-CD1 4.28Å; I532-L534 HydrophobicContact CG2-CD2 3.78Å; I532-L534 HydrophobicContact CG2-CG 3.86Å; L534-C538 WeakPolarHBondContact CD1-O 3.36Å; L534-C538 HydrophobicContact CD2-CB 4.32Å; L534-V540 HydrophobicContact CD1-CG2 4.42Å; L534-V540 HydrophobicContact CD2-CG1 3.95Å; L534-V540 HydrophobicContact CD2-CG2 4Å
535	Y	97	Very high	97.5	Very high	74 Å²	74	23.5 Å²	23.5	29%	0.29	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.3	171.9	-178.1	-106.5	0	0	0	109.8	Y373 E399 T400 A401	Y373-Y535 AromaticContact CD2-CD2 3.51Å; Y373-Y535 HydrophobicContact CD2-CD2 3.51Å; Y373-Y535 HydrophobicContact CD2-CE2 4.37Å; Y373-Y535 HydrophobicContact CD2-CG 4.02Å; Y373-Y535 AromaticContact CE2-CD2 3.69Å; Y373-Y535 HydrophobicContact CE2-CD2 3.69Å; Y373-Y535 AromaticContact CE2-CG 3.79Å; Y373-Y535 HydrophobicContact CE2-CG 3.79Å; Y373-Y535 HydrophobicContact CG-CD2 4.11Å; E399-Y535 WeakPolarHBondContact O-CE1 3.5Å; T400-Y535 WeakPolarHBondContact CB-O 3.38Å; A401-Y535 PolarHBondContact N-O 2.91Å; A401-Y535 WeakPolarHBondContact O-CB 3.45Å; A401-Y535 PolarHBondContact O-N 2.81Å
536	K	95.2	Very high	97.4	Very high	68 Å²	68	25.7 Å²	25.7	30%	0.296	15%	0.147	S	C	.	.	S	Bend	trans	55.4	-160.4	-172.4	-62.7	-177.6	-171.8	162.8	0	112.5	G369 E370 K371 E399 T400 C538	G369-K536 CarbonylContact C-O 3.55Å; G369-K536 WeakPolarHBondContact CA-O 3.43Å; E370-K536 PolarHBondContact N-O 3.48Å; E370-K536 CarbonylContact O-C 3.49Å; E370-K536 WeakPolarHBondContact O-CA 3.47Å; K371-K536 WeakPolarHBondContact O-CA 3.31Å; K371-K536 VanDerWaalsContact O-CG 3.24Å; K371-K536 WeakPolarHBondContact O-CG 3.42Å; K371-K536 PolarHBondContact O-N 3.43Å; E399-K536 WeakPolarHBondContact O-CD 3.1Å; E399-K536 PolarHBondContact O-NZ 2.92Å; T400-K536 HydrophobicContact CG2-CB 3.96Å; K536-C538 PolarHBondContact O-N 3.06Å
537	S	94.1	Very high	97.5	Very high	65 Å²	65	33.1 Å²	33.1	46%	0.455	18%	0.178	S	C	.	.	S	Bend	trans	-68.7	32.6	-174.5	-43.1	0	0	0	0	116	G369	G369-S537 WeakPolarHBondContact O-CA 3.48Å
538	C	95.8	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.			trans	-69.3	140.7	170.4	-174.1	0	0	0	0	109.4	T368 G369 D395 L534 K536	T368-C538 WeakPolarHBondContact CA-O 3.35Å; G369-C538 PolarHBondContact N-O 2.95Å; D395-C538 WeakPolarHBondContact O-CA 3.42Å; D395-C538 PolarHBondContact O-SG 3.39Å; D395-C538 VanDerWaalsContact O-SG 3.37Å; L534-C538 WeakPolarHBondContact CD1-O 3.36Å; L534-C538 HydrophobicContact CD2-CB 4.32Å; K536-C538 PolarHBondContact O-N 3.06Å
539	T	98.1	Very high	97.5	Very high	22 Å²	22	37 Å²	37	14%	0.135	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.6	176.2	-57.7	0	0	0	0	109.8	T366 V367 T368 D394 D395	T366-T539 HydrophobicContact CG2-CG2 3.46Å; T366-T539 VanDerWaalsContact CG2-CG2 3.46Å; V367-T539 WeakPolarHBondContact O-CA 3.16Å; T368-T539 VanDerWaalsContact CG2-OG1 3.29Å; T368-T539 WeakPolarHBondContact CG2-OG1 3.45Å; T368-T539 WeakPolarHBondContact OG1-CG2 3.29Å; T368-T539 PolarHBondContact OG1-OG1 3.22Å; D394-T539 HydrophobicContact CB-CG2 4.36Å; D394-T539 PolarHBondContact N-O 2.94Å; D394-T539 VanDerWaalsContact N-O 3.07Å; D395-T539 PolarHBondContact N-O 3.41Å; D395-T539 VanDerWaalsContact N-O 3.15Å; D395-T539 PolarHBondContact O-N 3.4Å
540	V	98.7	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.3	175.9	-54.3	0	0	0	0	110.5	T366 V367 V391 T392 V393 L404 I532 L534	T366-V540 WeakPolarHBondContact CA-O 3.42Å; V367-V540 HydrophobicContact CG1-CG2 3.84Å; V367-V540 PolarHBondContact N-O 3.45Å; V367-V540 PolarHBondContact O-N 3.39Å; V391-V540 HydrophobicContact CG1-CB 3.75Å; V391-V540 HydrophobicContact CG1-CG1 4.43Å; V391-V540 HydrophobicContact CG1-CG2 3.95Å; T392-V540 CarbonylContact O-C 3.53Å; T392-V540 VanDerWaalsContact O-CA 3.27Å; T392-V540 WeakPolarHBondContact O-CA 3.27Å; T392-V540 WeakPolarHBondContact O-CB 3.48Å; V393-V540 HydrophobicContact CG1-CG1 4.49Å; V393-V540 HydrophobicContact CG2-CG1 4.36Å; L404-V540 HydrophobicContact CD2-CG2 4.42Å; I532-V540 HydrophobicContact CD1-CG2 3.98Å; I532-V540 HydrophobicContact CG2-CG2 3.54Å; L534-V540 HydrophobicContact CD1-CG2 4.42Å; L534-V540 HydrophobicContact CD2-CG1 3.95Å; L534-V540 HydrophobicContact CD2-CG2 4Å
541	S	98.3	Very high	97.3	Very high	26 Å²	26	41.9 Å²	41.9	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.9	176.2	-64.3	0	0	0	0	110.5	L365 T366 V391 T392 D394	L365-S541 CarbonylContact O-C 3.57Å; L365-S541 VanDerWaalsContact O-CA 3.31Å; L365-S541 WeakPolarHBondContact O-CA 3.13Å; T366-S541 WeakPolarHBondContact CG2-OG 3.46Å; T366-S541 PolarHBondContact OG1-OG 3.35Å; V391-S541 CarbonylContact C-O 3.57Å; V391-S541 WeakPolarHBondContact CA-O 3.38Å; T392-S541 PolarHBondContact N-O 3.47Å; T392-S541 PolarHBondContact O-N 3.48Å; D394-S541 VanDerWaalsContact OD2-CB 3.23Å; D394-S541 WeakPolarHBondContact OD2-CB 3.32Å; D394-S541 PolarHBondContact OD2-N 3.09Å; D394-S541 PolarHBondContact OD2-OG 2.91Å
542	V	98.6	Very high	97.1	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.1	-179.9	63.6	0	0	0	0	110.8	L349 L365 F389 E390 V391 I532 F544	L349-V542 HydrophobicContact CD1-CG1 4.22Å; L349-V542 HydrophobicContact CD2-CG1 4.02Å; L349-V542 HydrophobicContact CG-CG1 3.93Å; L365-V542 HydrophobicContact CD2-CG1 4.17Å; L365-V542 WeakPolarHBondContact O-CG1 3.41Å; L365-V542 PolarHBondContact O-N 3.21Å; F389-V542 HydrophobicContact CD2-CG2 3.89Å; F389-V542 HydrophobicContact CE2-CG2 4.39Å; E390-V542 WeakPolarHBondContact O-CA 3.26Å; E390-V542 WeakPolarHBondContact O-CG2 3.41Å; V391-V542 HydrophobicContact CG2-CG2 4.34Å; I532-V542 HydrophobicContact CD1-CB 4.23Å; V542-F544 HydrophobicContact CB-CE2 4.36Å; V542-F544 HydrophobicContact CB-CZ 4.2Å; V542-F544 HydrophobicContact CG1-CD2 4.27Å; V542-F544 HydrophobicContact CG1-CE1 4.42Å; V542-F544 HydrophobicContact CG1-CE2 3.47Å; V542-F544 VanDerWaalsContact CG1-CE2 3.47Å; V542-F544 HydrophobicContact CG1-CZ 3.57Å; V542-F544 HydrophobicContact CG2-CD1 3.93Å; V542-F544 HydrophobicContact CG2-CD2 4.32Å; V542-F544 HydrophobicContact CG2-CE1 3.5Å; V542-F544 HydrophobicContact CG2-CE2 3.94Å; V542-F544 HydrophobicContact CG2-CG 4.33Å; V542-F544 HydrophobicContact CG2-CZ 3.52Å
543	N	98.3	Very high	96.8	Very high	49 Å²	49	51.9 Å²	51.9	26%	0.262	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	109.4	171.2	178.3	8	0	0	0	108.8	E390 G545 Q547	E390-N543 HydrophobicContact CB-CB 4.22Å; E390-N543 PolarHBondContact N-O 3.33Å; E390-N543 PolarHBondContact O-N 2.9Å; N543-G545 VanDerWaalsContact C-N 3.27Å; N543-G545 PolarHBondContact O-N 3.48Å; N543-G545 PolarHBondContact OD1-N 3.44Å; N543-Q547 PolarHBondContact ND2-O 2.9Å
544	F	98.4	Very high	96.6	Very high	9 Å²	9	56.3 Å²	56.3	4%	0.039	29%	0.285	C	S	.	.			trans	-81.8	-4.2	179.8	-61.3	-69.1	0	0	0	113.4	V347 L349 L365 A378 F389 P530 V542 M560 S561	V347-F544 HydrophobicContact CB-CB 4.3Å; V347-F544 HydrophobicContact CB-CD1 4.46Å; V347-F544 HydrophobicContact CB-CD2 4.13Å; V347-F544 HydrophobicContact CB-CG 4.04Å; V347-F544 HydrophobicContact CG1-CB 4.46Å; V347-F544 HydrophobicContact CG1-CD1 3.73Å; V347-F544 HydrophobicContact CG1-CD2 3.95Å; V347-F544 HydrophobicContact CG1-CE1 3.83Å; V347-F544 HydrophobicContact CG1-CE2 4.04Å; V347-F544 HydrophobicContact CG1-CG 3.78Å; V347-F544 HydrophobicContact CG1-CZ 3.98Å; V347-F544 WeakPolarHBondContact O-CD2 3.44Å; V347-F544 WeakPolarHBondContact O-CE2 3.47Å; L349-F544 HydrophobicContact CD2-CZ 4.47Å; L365-F544 HydrophobicContact CD2-CD2 3.99Å; L365-F544 HydrophobicContact CD2-CE2 3.9Å; A378-F544 HydrophobicContact CB-CE1 3.77Å; A378-F544 HydrophobicContact CB-CZ 3.76Å; F389-F544 HydrophobicContact CB-CD1 4.22Å; P530-F544 HydrophobicContact CB-CE1 3.94Å; P530-F544 HydrophobicContact CG-CD1 4.48Å; P530-F544 HydrophobicContact CG-CE1 4.04Å; V542-F544 HydrophobicContact CB-CE2 4.36Å; V542-F544 HydrophobicContact CB-CZ 4.2Å; V542-F544 HydrophobicContact CG1-CD2 4.27Å; V542-F544 HydrophobicContact CG1-CE1 4.42Å; V542-F544 HydrophobicContact CG1-CE2 3.47Å; V542-F544 VanDerWaalsContact CG1-CE2 3.47Å; V542-F544 HydrophobicContact CG1-CZ 3.57Å; V542-F544 HydrophobicContact CG2-CD1 3.93Å; V542-F544 HydrophobicContact CG2-CD2 4.32Å; V542-F544 HydrophobicContact CG2-CE1 3.5Å; V542-F544 HydrophobicContact CG2-CE2 3.94Å; V542-F544 HydrophobicContact CG2-CG 4.33Å; V542-F544 HydrophobicContact CG2-CZ 3.52Å; F544-M560 HydrophobicContact CB-CB 3.94Å; F544-M560 HydrophobicContact CD1-CB 3.82Å; F544-M560 HydrophobicContact CD1-CG 4.47Å; F544-M560 HydrophobicContact CG-CB 4.34Å; F544-M560 CarbonylContact O-C 3.48Å; F544-M560 PolarHBondContact O-N 3.1Å; F544-S561 PolarHBondContact O-N 3.43Å
545	G	96.9	Very high	96.5	Very high	18 Å²	18	57.9 Å²	57.9	19%	0.186	29%	0.294	C	S	.	.	S	Bend	trans	94.3	-172.8	-175.8	0	0	0	0	0	113.3	N543 Q547 F548 S561	N543-G545 VanDerWaalsContact C-N 3.27Å; N543-G545 PolarHBondContact O-N 3.48Å; N543-G545 PolarHBondContact OD1-N 3.44Å; G545-Q547 VanDerWaalsContact C-N 3.34Å; G545-F548 VanDerWaalsContact CA-CE1 3.43Å; G545-S561 VanDerWaalsContact C-OG 3.31Å; G545-S561 WeakPolarHBondContact O-CB 3.12Å; G545-S561 PolarHBondContact O-OG 2.89Å
546	P	94.8	Very high	96.5	Very high	86 Å²	86	63.4 Å²	63.4	56%	0.558	32%	0.319	S	S	*	.	S	Bend	cis	-78.2	-13.8	1.5	31.3	-35.6	0	0	0	113.8	F548 P559	P546-F548 VanDerWaalsContact O-CD2 3.27Å; P546-F548 WeakPolarHBondContact O-CD2 3.35Å; P546-F548 PolarHBondContact O-N 3.47Å; P546-P559 HydrophobicContact CB-CB 4.34Å; P546-P559 HydrophobicContact CB-CG 4.07Å
547	Q	96.3	Very high	96.6	Very high	170 Å²	170	63.1 Å²	63.1	79%	0.794	32%	0.317	S	S	*	.	S	Bend	trans	-88.4	91.6	-176.5	-65.4	169.8	27.3	0	0	110.5	N543 G545	N543-Q547 PolarHBondContact ND2-O 2.9Å; G545-Q547 VanDerWaalsContact C-N 3.34Å
548	F	97.7	Very high	96.8	Very high	24 Å²	24	64.6 Å²	64.6	11%	0.105	32%	0.316	C	S	.	.			trans	-86.8	151.7	178.4	-62.1	-68.2	0	0	0	112.3	Y388 E390 G545 P546 P551 Y557 P559	Y388-F548 AromaticContact CD1-CD1 4Å; Y388-F548 HydrophobicContact CD1-CD1 4Å; Y388-F548 HydrophobicContact CD1-CD2 4.13Å; Y388-F548 AromaticContact CD1-CE1 3.73Å; Y388-F548 HydrophobicContact CD1-CE1 3.73Å; Y388-F548 AromaticContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CE2 3.89Å; Y388-F548 HydrophobicContact CD1-CG 4.17Å; Y388-F548 AromaticContact CD1-CZ 3.66Å; Y388-F548 HydrophobicContact CD1-CZ 3.66Å; Y388-F548 HydrophobicContact CE1-CB 4.49Å; Y388-F548 AromaticContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD1 3.72Å; Y388-F548 HydrophobicContact CE1-CD2 4.21Å; Y388-F548 AromaticContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE1 3.92Å; Y388-F548 HydrophobicContact CE1-CE2 4.4Å; Y388-F548 AromaticContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CG 3.85Å; Y388-F548 HydrophobicContact CE1-CZ 4.25Å; E390-F548 HydrophobicContact CB-CD1 4.26Å; E390-F548 HydrophobicContact CG-CD1 3.76Å; E390-F548 HydrophobicContact CG-CE1 4.49Å; E390-F548 HydrophobicContact CG-CG 4.49Å; G545-F548 VanDerWaalsContact CA-CE1 3.43Å; P546-F548 VanDerWaalsContact O-CD2 3.27Å; P546-F548 WeakPolarHBondContact O-CD2 3.35Å; P546-F548 PolarHBondContact O-N 3.47Å; F548-P551 HydrophobicContact CB-CB 4.11Å; F548-P551 HydrophobicContact CD2-CB 4.48Å; F548-Y557 HydrophobicContact CD2-CE2 4.16Å; F548-Y557 WeakPolarHBondContact CD2-OH 3.45Å; F548-Y557 AromaticContact CE2-CE2 3.61Å; F548-Y557 HydrophobicContact CE2-CE2 3.61Å; F548-Y557 HydrophobicContact CZ-CE2 4.38Å; F548-P559 HydrophobicContact CE2-CB 3.76Å; F548-P559 HydrophobicContact CZ-CB 3.65Å
549	K	97.2	Very high	96.9	Very high	116 Å²	116	65.3 Å²	65.3	50%	0.504	32%	0.321	S	S	.	.	S	Bend	trans	-74.1	-38.4	173.3	-171.8	179	177.4	-176.3	0	110.8	E390 T451	E390-K549 PolarHBondContact OE2-N 3.33Å; T451-K549 HydrophobicContact CG2-CB 4.37Å; T451-K549 HydrophobicContact CG2-CD 4.42Å; T451-K549 WeakPolarHBondContact OG1-CD 3.46Å
550	Y	97.7	Very high	96.9	Very high	85 Å²	85	64.2 Å²	64.2	33%	0.333	32%	0.315	S	S	.	.	S	Bend	trans	-135.1	71.4	179.2	-57.7	-71.2	0	0	0	111.2	Y388 E390 T451 N512	Y388-Y550 PolarHBondContact OH-O 3.08Å; E390-Y550 WeakPolarHBondContact OE1-CA 3.44Å; E390-Y550 PolarHBondContact OE1-N 2.95Å; E390-Y550 VanDerWaalsContact OE1-O 3.09Å; T451-Y550 HydrophobicContact CG2-CD2 4.02Å; T451-Y550 HydrophobicContact CG2-CE2 4.49Å; N512-Y550 HydrophobicContact CB-CD2 4.3Å; N512-Y550 HydrophobicContact CB-CE2 4.02Å
551	P	96.3	Very high	96.8	Very high	54 Å²	54	65.5 Å²	65.5	35%	0.351	32%	0.323	S	S	.	.			trans	-60.7	137.2	-179.6	25.3	-33.7	0	0	0	111.6	F548 K553 Y557	F548-P551 HydrophobicContact CB-CB 4.11Å; F548-P551 HydrophobicContact CD2-CB 4.48Å; P551-K553 PolarHBondContact O-N 2.94Å; P551-Y557 WeakPolarHBondContact CB-OH 3.47Å
552	P	94.6	Very high	96.7	Very high	10 Å²	10	68.1 Å²	68.1	7%	0.065	34%	0.335	C	S	.	.			trans	-56.6	134.6	172.2	-24.9	32.6	0	0	0	111.5	Y388 Y510 I555 Y557	Y388-P552 HydrophobicContact CD1-CG 4.18Å; Y388-P552 HydrophobicContact CD2-CG 3.62Å; Y388-P552 VanDerWaalsContact CE1-CD 3.45Å; Y388-P552 HydrophobicContact CE1-CG 3.97Å; Y388-P552 HydrophobicContact CE2-CG 3.35Å; Y388-P552 HydrophobicContact CG-CG 4.01Å; Y388-P552 VanDerWaalsContact CZ-CD 3.42Å; Y510-P552 HydrophobicContact CE1-CB 4.08Å; Y510-P552 HydrophobicContact CE1-CG 4.4Å; Y510-P552 HydrophobicContact CE2-CG 4.35Å; P552-I555 HydrophobicContact CB-CG2 3.88Å; P552-Y557 HydrophobicContact CB-CD1 4.17Å; P552-Y557 HydrophobicContact CB-CE1 3.95Å; P552-Y557 HydrophobicContact CG-CD1 4.18Å; P552-Y557 HydrophobicContact CG-CE1 3.92Å
553	K	93.1	Very high	96.4	Very high	203 Å²	203	68.4 Å²	68.4	88%	0.883	34%	0.336	S	S	*	.	S	Bend	trans	-107.9	-12.1	178.7	-61.2	-177.9	-178.3	179.3	0	112.9	P551	P551-K553 PolarHBondContact O-N 2.94Å
554	D	93.8	Very high	96.1	Very high	93 Å²	93	66 Å²	66	50%	0.497	32%	0.324	S	S	.	.	S	Bend	trans	-98.7	-10.3	-172.6	60.5	-38.9	0	0	0	113.3	Y510 N515	Y510-D554 VanDerWaalsContact CE1-OD1 3.27Å; Y510-D554 WeakPolarHBondContact CE1-OD1 3.36Å; Y510-D554 VanDerWaalsContact OH-CG 3.3Å; Y510-D554 PolarHBondContact OH-OD1 2.99Å; Y510-D554 PolarHBondContact OH-OD2 3.25Å; N515-D554 PolarHBondContact ND2-OD2 3.36Å
555	I	95.6	Very high	95.5	Very high	34 Å²	34	72.4 Å²	72.4	17%	0.174	35%	0.347	C	S	.	.	S	Bend	trans	-143.6	149.2	-175.6	-162.5	157.9	0	0	0	111.9	F455 L508 Y510 P552	F455-I555 HydrophobicContact CD1-CD1 4.16Å; F455-I555 HydrophobicContact CD2-CD1 4.4Å; F455-I555 HydrophobicContact CD2-CG2 4.1Å; F455-I555 HydrophobicContact CE1-CD1 3.49Å; F455-I555 VanDerWaalsContact CE1-CD1 3.49Å; F455-I555 HydrophobicContact CE2-CD1 3.76Å; F455-I555 HydrophobicContact CE2-CG1 3.98Å; F455-I555 HydrophobicContact CE2-CG2 4.12Å; F455-I555 HydrophobicContact CZ-CD1 3.26Å; F455-I555 HydrophobicContact CZ-CG1 3.9Å; L508-I555 HydrophobicContact CD1-CD1 3.75Å; Y510-I555 WeakPolarHBondContact OH-CG2 3.36Å; P552-I555 HydrophobicContact CB-CG2 3.88Å
556	K	97.1	Very high	95.2	Very high	191 Å²	191	72.7 Å²	72.7	83%	0.83	35%	0.35	S	S	*	.			trans	-82.9	139.9	170.3	-66.7	-174.4	179.4	-177.7	0	109.8
557	Y	97.7	Very high	94.9	Very high	61 Å²	61	69 Å²	69	24%	0.239	33%	0.327	C	S	.	.			trans	-156.2	163.8	-178.7	67.5	-91	0	0	0	111	A386 Y388 F548 P551 P552	A386-Y557 CarbonylContact O-C 3.39Å; A386-Y557 WeakPolarHBondContact O-CA 3.15Å; Y388-Y557 HydrophobicContact CD1-CD2 4.33Å; Y388-Y557 AromaticContact CD1-CE2 3.97Å; Y388-Y557 HydrophobicContact CD1-CE2 3.97Å; Y388-Y557 HydrophobicContact CG-CD2 4.16Å; Y388-Y557 HydrophobicContact CG-CE2 4.26Å; Y388-Y557 HydrophobicContact CG-CG 4.48Å; F548-Y557 HydrophobicContact CD2-CE2 4.16Å; F548-Y557 WeakPolarHBondContact CD2-OH 3.45Å; F548-Y557 AromaticContact CE2-CE2 3.61Å; F548-Y557 HydrophobicContact CE2-CE2 3.61Å; F548-Y557 HydrophobicContact CZ-CE2 4.38Å; P551-Y557 WeakPolarHBondContact CB-OH 3.47Å; P552-Y557 HydrophobicContact CB-CD1 4.17Å; P552-Y557 HydrophobicContact CB-CE1 3.95Å; P552-Y557 HydrophobicContact CG-CD1 4.18Å; P552-Y557 HydrophobicContact CG-CE1 3.92Å
558	Q	97.8	Very high	94.6	Very high	96 Å²	96	62.4 Å²	62.4	45%	0.449	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.5	165.6	-68.5	173.9	-19.5	0	0	109.4	A386 W387 Y388	A386-Q558 PolarHBondContact O-N 2.79Å; W387-Q558 CarbonylContact C-O 3.4Å; W387-Q558 VanDerWaalsContact CA-O 3.31Å; W387-Q558 WeakPolarHBondContact CA-O 3.38Å; W387-Q558 HydrophobicContact CD2-CB 4.08Å; W387-Q558 HydrophobicContact CE3-CB 3.62Å; W387-Q558 HydrophobicContact CH2-CB 4.06Å; W387-Q558 HydrophobicContact CZ3-CB 3.6Å; Y388-Q558 PolarHBondContact N-O 2.69Å
559	P	98.1	Very high	94.2	Very high	15 Å²	15	66.6 Å²	66.6	10%	0.097	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.5	173.5	30.3	-34.9	0	0	0	109.9	W387 P546 F548 S561 D562	W387-P559 WeakPolarHBondContact CZ3-O 3.36Å; P546-P559 HydrophobicContact CB-CB 4.34Å; P546-P559 HydrophobicContact CB-CG 4.07Å; F548-P559 HydrophobicContact CE2-CB 3.76Å; F548-P559 HydrophobicContact CZ-CB 3.65Å; P559-S561 WeakPolarHBondContact CB-OG 3.44Å; P559-S561 PolarHBondContact O-N 3.35Å; P559-D562 WeakPolarHBondContact CD-OD2 3.3Å; P559-D562 HydrophobicContact CG-CB 4.45Å; P559-D562 VanDerWaalsContact CG-CG 3.49Å; P559-D562 WeakPolarHBondContact CG-OD1 3.39Å; P559-D562 WeakPolarHBondContact CG-OD2 3.36Å; P559-D562 PolarHBondContact O-N 2.9Å
560	M	98.1	Very high	94	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-55.6	-26.5	175.4	-81.1	-58.1	-50.6	0	0	113.3	V347 V382 W387 Y388 F389 W406 P530 F544 D562 M563	V347-M560 WeakPolarHBondContact CG2-O 3.46Å; V382-M560 HydrophobicContact CG1-CE 3.83Å; V382-M560 HydrophobicContact CG1-SD 3.57Å; V382-M560 VanDerWaalsContact CG1-SD 3.57Å; W387-M560 HydrophobicContact CB-SD 3.98Å; W387-M560 HydrophobicContact CD2-SD 4.46Å; W387-M560 HydrophobicContact CE3-SD 4.2Å; W387-M560 HydrophobicContact CG-SD 4.4Å; Y388-M560 PolarHBondContact O-N 2.98Å; F389-M560 HydrophobicContact CB-CB 4.12Å; F389-M560 HydrophobicContact CB-CG 3.78Å; F389-M560 HydrophobicContact CD1-CG 4.09Å; F389-M560 HydrophobicContact CG-CG 4.31Å; W406-M560 HydrophobicContact CH2-CG 4.23Å; W406-M560 HydrophobicContact CH2-SD 3.66Å; W406-M560 HydrophobicContact CZ3-SD 4.05Å; P530-M560 HydrophobicContact CG-CE 3.79Å; P530-M560 HydrophobicContact CG-CG 3.98Å; P530-M560 HydrophobicContact CG-SD 4.11Å; F544-M560 HydrophobicContact CB-CB 3.94Å; F544-M560 HydrophobicContact CD1-CB 3.82Å; F544-M560 HydrophobicContact CD1-CG 4.47Å; F544-M560 HydrophobicContact CG-CB 4.34Å; F544-M560 CarbonylContact O-C 3.48Å; F544-M560 PolarHBondContact O-N 3.1Å; M560-D562 PolarHBondContact O-N 3.45Å; M560-M563 HydrophobicContact CE-CB 4.33Å; M560-M563 HydrophobicContact CE-CG 4.05Å; M560-M563 WeakPolarHBondContact O-CB 3.41Å; M560-M563 PolarHBondContact O-N 3.03Å; M560-M563 VanDerWaalsContact O-N 3.15Å
561	S	96.4	Very high	93.7	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.182	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-54.6	-32.2	175.1	55.6	0	0	0	0	113.8	F544 G545 P559 M563 G564	F544-S561 PolarHBondContact O-N 3.43Å; G545-S561 VanDerWaalsContact C-OG 3.31Å; G545-S561 WeakPolarHBondContact O-CB 3.12Å; G545-S561 PolarHBondContact O-OG 2.89Å; P559-S561 WeakPolarHBondContact CB-OG 3.44Å; P559-S561 PolarHBondContact O-N 3.35Å; S561-M563 PolarHBondContact O-N 3.31Å; S561-G564 PolarHBondContact O-N 3.17Å
562	D	95.4	Very high	93.4	Very high	81 Å²	81	59.2 Å²	59.2	43%	0.433	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-70.4	-22.3	-176.8	-65.7	1.6	0	0	0	111.9	W387 P559 M560 G564 G566	W387-D562 HydrophobicContact CZ3-CB 4.14Å; P559-D562 WeakPolarHBondContact CD-OD2 3.3Å; P559-D562 HydrophobicContact CG-CB 4.45Å; P559-D562 VanDerWaalsContact CG-CG 3.49Å; P559-D562 WeakPolarHBondContact CG-OD1 3.39Å; P559-D562 WeakPolarHBondContact CG-OD2 3.36Å; P559-D562 PolarHBondContact O-N 2.9Å; M560-D562 PolarHBondContact O-N 3.45Å; D562-G564 PolarHBondContact O-N 3.19Å; D562-G566 PolarHBondContact O-N 3.44Å
563	M	94.3	Very high	93.4	Very high	15 Å²	15	62.7 Å²	62.7	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-19.1	174.9	-79.9	-52.3	-49.3	0	0	113.8	V347 H380 V382 W387 M560 S561 A567	V347-M563 HydrophobicContact CG2-CB 4.27Å; H380-M563 HydrophobicContact CB-CB 4.1Å; V382-M563 HydrophobicContact CG1-CG 3.6Å; V382-M563 HydrophobicContact CG1-SD 4Å; W387-M563 HydrophobicContact CD2-CG 4.4Å; W387-M563 HydrophobicContact CE3-CG 3.94Å; W387-M563 HydrophobicContact CE3-SD 4.49Å; W387-M563 HydrophobicContact CH2-CG 3.54Å; W387-M563 HydrophobicContact CH2-SD 3.17Å; W387-M563 WeakPolarHBondContact CH2-SD 3.41Å; W387-M563 HydrophobicContact CZ2-CG 4.01Å; W387-M563 HydrophobicContact CZ2-SD 3.27Å; W387-M563 WeakPolarHBondContact CZ2-SD 3.47Å; W387-M563 HydrophobicContact CZ3-CB 4.43Å; W387-M563 HydrophobicContact CZ3-CG 3.49Å; W387-M563 VanDerWaalsContact CZ3-CG 3.49Å; W387-M563 HydrophobicContact CZ3-SD 3.83Å; M560-M563 HydrophobicContact CE-CB 4.33Å; M560-M563 HydrophobicContact CE-CG 4.05Å; M560-M563 WeakPolarHBondContact O-CB 3.41Å; M560-M563 PolarHBondContact O-N 3.03Å; M560-M563 VanDerWaalsContact O-N 3.15Å; S561-M563 PolarHBondContact O-N 3.31Å; M563-A567 VanDerWaalsContact O-CB 3.24Å; M563-A567 WeakPolarHBondContact O-CB 3.35Å; M563-A567 PolarHBondContact O-N 3.2Å
564	G	90	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-58.9	177.6	0	0	0	0	0	111.3	E345 S561 D562 V568	E345-G564 WeakPolarHBondContact O-CA 3.38Å; S561-G564 PolarHBondContact O-N 3.17Å; D562-G564 PolarHBondContact O-N 3.19Å; G564-V568 WeakPolarHBondContact O-CG2 3.48Å; G564-V568 PolarHBondContact O-N 3.24Å
565	W	86.1	Confident	93.3	Very high	143 Å²	143	49 Å²	49	54%	0.542	24%	0.243	S	C	.	.	H	α-helix	trans	-67.2	-38.5	175.1	-75.8	110.8	0	0	0	112.9	E345 A567 V568 I569	E345-W565 HydrophobicContact CB-CH2 4.47Å; E345-W565 HydrophobicContact CB-CZ2 4.16Å; E345-W565 HydrophobicContact CG-CE3 4.45Å; E345-W565 HydrophobicContact CG-CH2 3.76Å; E345-W565 HydrophobicContact CG-CZ2 3.95Å; E345-W565 HydrophobicContact CG-CZ3 4.03Å; E345-W565 VanDerWaalsContact OE1-CH2 3.31Å; E345-W565 WeakPolarHBondContact OE1-CH2 3.37Å; E345-W565 WeakPolarHBondContact OE2-CZ2 3.33Å; W565-A567 VanDerWaalsContact C-N 3.33Å; W565-A567 PolarHBondContact O-N 3.16Å; W565-V568 PolarHBondContact O-N 2.78Å; W565-I569 WeakPolarHBondContact O-CG1 3.42Å; W565-I569 PolarHBondContact O-N 3.21Å
566	G	90.3	Very high	93	Very high	24 Å²	24	51.8 Å²	51.8	25%	0.247	26%	0.257	C	S	.	.	H	α-helix	trans	-55.7	-46.7	177.2	0	0	0	0	0	112.4	D562 I569 E570	D562-G566 PolarHBondContact O-N 3.44Å; G566-I569 PolarHBondContact O-N 2.91Å; G566-E570 VanDerWaalsContact O-CG 3.31Å; G566-E570 WeakPolarHBondContact O-CG 3.47Å; G566-E570 PolarHBondContact O-N 3.4Å
567	A	90.4	Very high	92.7	Very high	8 Å²	8	45.8 Å²	45.8	7%	0.066	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-40.1	178.1	0	0	0	0	0	112.7	H380 M563 W565 I569 E570 H571	H380-A567 VanDerWaalsContact CD2-CB 3.46Å; H380-A567 WeakPolarHBondContact CD2-CB 3.46Å; M563-A567 VanDerWaalsContact O-CB 3.24Å; M563-A567 WeakPolarHBondContact O-CB 3.35Å; M563-A567 PolarHBondContact O-N 3.2Å; W565-A567 VanDerWaalsContact C-N 3.33Å; W565-A567 PolarHBondContact O-N 3.16Å; A567-I569 VanDerWaalsContact C-N 3.3Å; A567-I569 PolarHBondContact O-N 3.48Å; A567-E570 PolarHBondContact O-N 3.42Å; A567-H571 VanDerWaalsContact O-CB 3.31Å; A567-H571 WeakPolarHBondContact O-CB 3.27Å; A567-H571 PolarHBondContact O-CD2 2.67Å; A567-H571 VanDerWaalsContact O-CD2 3.28Å; A567-H571 PolarHBondContact O-N 2.84Å
568	V	88.1	Confident	92.3	Very high	32 Å²	32	45.6 Å²	45.6	19%	0.194	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-46	175.7	171.3	0	0	0	0	110.6	L343 E345 G564 W565 T572	L343-V568 HydrophobicContact CB-CG2 4.14Å; E345-V568 HydrophobicContact CG-CG2 4.44Å; G564-V568 WeakPolarHBondContact O-CG2 3.48Å; G564-V568 PolarHBondContact O-N 3.24Å; W565-V568 PolarHBondContact O-N 2.78Å; V568-T572 WeakPolarHBondContact O-CB 3.26Å; V568-T572 PolarHBondContact O-N 3.37Å; V568-T572 PolarHBondContact O-OG1 2.81Å
569	I	90.5	Very high	91.8	Very high	112 Å²	112	41.7 Å²	41.7	57%	0.574	21%	0.214	S	C	*	.	H	α-helix	trans	-63.2	-51.1	178.9	-66.8	165.5	0	0	0	110.6	W565 G566 A567 T572 L573	W565-I569 WeakPolarHBondContact O-CG1 3.42Å; W565-I569 PolarHBondContact O-N 3.21Å; G566-I569 PolarHBondContact O-N 2.91Å; A567-I569 VanDerWaalsContact C-N 3.3Å; A567-I569 PolarHBondContact O-N 3.48Å; I569-T572 PolarHBondContact O-N 2.88Å; I569-L573 WeakPolarHBondContact O-CB 3.32Å; I569-L573 PolarHBondContact O-N 2.93Å
570	E	92.8	Very high	91.2	Very high	42 Å²	42	44.9 Å²	44.9	20%	0.196	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-39.7	-174	-70.1	177.8	143.7	0	0	113.1	R383 P469 G566 A567 L573 A574	R383-E570 IonicContact CZ-OE1 2.81Å; R383-E570 IonicContact CZ-OE2 2.65Å; R383-E570 IonicContact NH1-OE1 2.87Å; R383-E570 PolarHBondContact NH1-OE1 3.44Å; R383-E570 IonicContact NH1-OE2 3.71Å; R383-E570 PolarHBondContact NH1-OE2 2.91Å; R383-E570 IonicContact NH2-OE1 3.28Å; R383-E570 PolarHBondContact NH2-OE1 3.32Å; R383-E570 IonicContact NH2-OE2 3.54Å; R383-E570 PolarHBondContact NH2-OE2 3.01Å; P469-E570 HydrophobicContact CG-CB 4.16Å; G566-E570 VanDerWaalsContact O-CG 3.31Å; G566-E570 WeakPolarHBondContact O-CG 3.47Å; G566-E570 PolarHBondContact O-N 3.4Å; A567-E570 PolarHBondContact O-N 3.42Å; E570-L573 PolarHBondContact O-N 2.9Å; E570-A574 WeakPolarHBondContact O-CB 3.24Å; E570-A574 PolarHBondContact O-N 2.85Å
571	H	91.7	Very high	90.5	Very high	26 Å²	26	49.6 Å²	49.6	12%	0.12	26%	0.255	C	S	.	.	H	α-helix	trans	-69	-39.5	173.9	-84.5	-86.7	0	0	0	111.8	L343 P469 A567 L573 A574 D575	L343-H571 HydrophobicContact CD1-CB 3.23Å; P469-H571 VanDerWaalsContact CB-CE1 3.42Å; P469-H571 WeakPolarHBondContact CB-CE1 3.4Å; P469-H571 HydrophobicContact CG-CB 4.25Å; A567-H571 VanDerWaalsContact O-CB 3.31Å; A567-H571 WeakPolarHBondContact O-CB 3.27Å; A567-H571 PolarHBondContact O-CD2 2.67Å; A567-H571 VanDerWaalsContact O-CD2 3.28Å; A567-H571 PolarHBondContact O-N 2.84Å; H571-L573 VanDerWaalsContact C-N 3.28Å; H571-L573 PolarHBondContact O-N 3.01Å; H571-A574 WeakPolarHBondContact O-CB 3.24Å; H571-A574 PolarHBondContact O-N 2.75Å; H571-D575 WeakPolarHBondContact O-CB 3.4Å; H571-D575 PolarHBondContact O-N 3.43Å
572	T	90.5	Very high	89.5	Confident	31 Å²	31	52 Å²	52	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-43.2	174.7	-60.2	0	0	0	0	110.6	V568 I569 D575 M576	V568-T572 WeakPolarHBondContact O-CB 3.26Å; V568-T572 PolarHBondContact O-N 3.37Å; V568-T572 PolarHBondContact O-OG1 2.81Å; I569-T572 PolarHBondContact O-N 2.88Å; T572-D575 PolarHBondContact O-N 2.81Å; T572-M576 HydrophobicContact CG2-SD 4.13Å; T572-M576 VanDerWaalsContact O-CG 3.27Å; T572-M576 WeakPolarHBondContact O-CG 3.33Å; T572-M576 PolarHBondContact O-N 2.79Å
573	L	92.6	Very high	88.1	Confident	84 Å²	84	54.6 Å²	54.6	44%	0.44	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-43.5	174.9	-179.8	62	0	0	0	111.7	L468 I569 E570 H571 M576 L577	L468-L573 HydrophobicContact CD1-CD2 4.5Å; L468-L573 HydrophobicContact CD1-CG 4.37Å; L468-L573 HydrophobicContact CD2-CD2 4.14Å; I569-L573 WeakPolarHBondContact O-CB 3.32Å; I569-L573 PolarHBondContact O-N 2.93Å; E570-L573 PolarHBondContact O-N 2.9Å; H571-L573 VanDerWaalsContact C-N 3.28Å; H571-L573 PolarHBondContact O-N 3.01Å; L573-M576 PolarHBondContact O-N 2.82Å; L573-L577 HydrophobicContact CD1-CD1 4.06Å; L573-L577 HydrophobicContact CD1-CG 4.21Å; L573-L577 HydrophobicContact CG-CD1 3.93Å; L573-L577 HydrophobicContact CG-CG 4.49Å; L573-L577 WeakPolarHBondContact O-CB 3.45Å; L573-L577 VanDerWaalsContact O-CG 3.29Å; L573-L577 WeakPolarHBondContact O-CG 3.46Å; L573-L577 PolarHBondContact O-N 3.06Å
574	A	93.6	Very high	86.2	Confident	6 Å²	6	58.2 Å²	58.2	5%	0.05	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-43.6	176.5	0	0	0	0	0	111.9	L468 P469 T471 E570 H571 L577 Y578	L468-A574 HydrophobicContact CB-CB 4.1Å; L468-A574 HydrophobicContact CD1-CB 4.44Å; P469-A574 HydrophobicContact CG-CB 4.21Å; P469-A574 WeakPolarHBondContact O-CB 3.4Å; T471-A574 VanDerWaalsContact CG2-C 3.48Å; T471-A574 HydrophobicContact CG2-CB 3.73Å; T471-A574 WeakPolarHBondContact CG2-O 3.27Å; E570-A574 WeakPolarHBondContact O-CB 3.24Å; E570-A574 PolarHBondContact O-N 2.85Å; H571-A574 WeakPolarHBondContact O-CB 3.24Å; H571-A574 PolarHBondContact O-N 2.75Å; A574-L577 PolarHBondContact O-N 3.47Å; A574-Y578 WeakPolarHBondContact O-CB 3.39Å; A574-Y578 PolarHBondContact O-N 2.82Å
575	D	91.4	Very high	84.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.011	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-44.3	177.8	-69.5	-30	0	0	0	111.6	R340 T471 K473 H571 T572 Y578 H579	R340-D575 VanDerWaalsContact CB-OD2 3.25Å; R340-D575 WeakPolarHBondContact CB-OD2 3.4Å; T471-D575 WeakPolarHBondContact CB-OD1 3.47Å; T471-D575 WeakPolarHBondContact CG2-OD1 3.35Å; K473-D575 VanDerWaalsContact CE-OD1 3.25Å; K473-D575 WeakPolarHBondContact CE-OD1 3.37Å; H571-D575 WeakPolarHBondContact O-CB 3.4Å; H571-D575 PolarHBondContact O-N 3.43Å; T572-D575 PolarHBondContact O-N 2.81Å; D575-Y578 WeakPolarHBondContact O-CB 3.47Å; D575-Y578 PolarHBondContact O-N 3Å; D575-H579 PolarHBondContact O-CD2 3.23Å; D575-H579 PolarHBondContact O-N 2.79Å
576	M	89.9	Confident	82.3	Confident	92 Å²	92	58.5 Å²	58.5	45%	0.453	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-44.2	176.3	-71.3	176.1	72.3	0	0	111.8	H317 T572 L573 Y578 H579 V580	H317-M576 HydrophobicContact CB-CG 4.42Å; T572-M576 HydrophobicContact CG2-SD 4.13Å; T572-M576 VanDerWaalsContact O-CG 3.27Å; T572-M576 WeakPolarHBondContact O-CG 3.33Å; T572-M576 PolarHBondContact O-N 2.79Å; L573-M576 PolarHBondContact O-N 2.82Å; M576-Y578 VanDerWaalsContact C-N 3.32Å; M576-Y578 PolarHBondContact O-N 2.9Å; M576-H579 PolarHBondContact O-N 3.3Å; M576-V580 WeakPolarHBondContact O-CG2 3.34Å; M576-V580 PolarHBondContact O-N 3.2Å
577	L	90.9	Very high	80.1	Confident	66 Å²	66	67.6 Å²	67.6	35%	0.346	36%	0.359	S	S	.	.	H	α-helix	trans	-63.7	-39	177.2	-75.4	169.8	0	0	0	111.6	L468 L573 A574 H579 V580 E581	L468-L577 HydrophobicContact CD1-CD1 3.3Å; L573-L577 HydrophobicContact CD1-CD1 4.06Å; L573-L577 HydrophobicContact CD1-CG 4.21Å; L573-L577 HydrophobicContact CG-CD1 3.93Å; L573-L577 HydrophobicContact CG-CG 4.49Å; L573-L577 WeakPolarHBondContact O-CB 3.45Å; L573-L577 VanDerWaalsContact O-CG 3.29Å; L573-L577 WeakPolarHBondContact O-CG 3.46Å; L573-L577 PolarHBondContact O-N 3.06Å; A574-L577 PolarHBondContact O-N 3.47Å; L577-H579 VanDerWaalsContact C-N 3.29Å; L577-H579 PolarHBondContact O-N 2.96Å; L577-V580 PolarHBondContact O-N 2.62Å; L577-E581 WeakPolarHBondContact O-CB 3.49Å; L577-E581 VanDerWaalsContact O-CG 3.31Å; L577-E581 WeakPolarHBondContact O-CG 3.46Å; L577-E581 PolarHBondContact O-N 3.07Å
578	Y	89.8	Confident	77.7	Confident	56 Å²	56	77.8 Å²	77.8	22%	0.22	40%	0.395	C	S	.	.	H	α-helix	trans	-56.8	-43.8	174	177.8	-86.2	0	0	0	111.9	D337 K473 A574 D575 M576 T582	D337-Y578 HydrophobicContact CB-CE1 4.19Å; K473-Y578 HydrophobicContact CB-CD1 4.12Å; K473-Y578 HydrophobicContact CB-CD2 4.39Å; K473-Y578 HydrophobicContact CB-CE1 3.69Å; K473-Y578 HydrophobicContact CB-CE2 3.99Å; K473-Y578 HydrophobicContact CB-CG 4.43Å; K473-Y578 HydrophobicContact CD-CD1 3.22Å; K473-Y578 HydrophobicContact CD-CD2 4.35Å; K473-Y578 HydrophobicContact CD-CE1 3.6Å; K473-Y578 HydrophobicContact CD-CG 3.64Å; K473-Y578 HydrophobicContact CG-CD1 4.3Å; K473-Y578 HydrophobicContact CG-CE1 4.29Å; A574-Y578 WeakPolarHBondContact O-CB 3.39Å; A574-Y578 PolarHBondContact O-N 2.82Å; D575-Y578 WeakPolarHBondContact O-CB 3.47Å; D575-Y578 PolarHBondContact O-N 3Å; M576-Y578 VanDerWaalsContact C-N 3.32Å; M576-Y578 PolarHBondContact O-N 2.9Å; Y578-T582 VanDerWaalsContact O-CB 3.28Å; Y578-T582 WeakPolarHBondContact O-CB 3.42Å; Y578-T582 PolarHBondContact O-N 3.06Å; Y578-T582 PolarHBondContact O-OG1 3.48Å
579	H	86.6	Confident	75.2	Confident	14 Å²	14	79.1 Å²	79.1	7%	0.065	41%	0.406	C	S	.	.	H	α-helix	trans	-66.4	-44.9	177.5	-68.2	-50.4	0	0	0	111.9	D315 D337 K473 D575 M576 L577 E581 T582 E583	D315-H579 IonicContact OD2-CD2 3.65Å; D315-H579 IonicContact OD2-CE1 3.92Å; D315-H579 IonicContact OD2-NE2 3.26Å; D315-H579 PolarHBondContact OD2-NE2 3.12Å; D337-H579 PolarHBondContact O-CE1 2.84Å; D337-H579 VanDerWaalsContact O-CE1 3.23Å; K473-H579 PolarHBondContact NZ-NE2 3.46Å; D575-H579 PolarHBondContact O-CD2 3.23Å; D575-H579 PolarHBondContact O-N 2.79Å; M576-H579 PolarHBondContact O-N 3.3Å; L577-H579 VanDerWaalsContact C-N 3.29Å; L577-H579 PolarHBondContact O-N 2.96Å; H579-E581 PolarHBondContact O-N 3.11Å; H579-T582 PolarHBondContact O-N 2.86Å; H579-E583 WeakPolarHBondContact O-CB 3.41Å; H579-E583 WeakPolarHBondContact O-CG 3.38Å; H579-E583 PolarHBondContact O-N 2.86Å
580	V	86.6	Confident	72.6	Confident	82 Å²	82	79.1 Å²	79.1	50%	0.497	41%	0.414	S	S	.	.	H	α-helix	trans	-60.5	-47.2	176.6	173.2	0	0	0	0	110.9	M576 L577 T582 E583 V584	M576-V580 WeakPolarHBondContact O-CG2 3.34Å; M576-V580 PolarHBondContact O-N 3.2Å; L577-V580 PolarHBondContact O-N 2.62Å; V580-T582 VanDerWaalsContact C-N 3.32Å; V580-T582 PolarHBondContact O-N 2.83Å; V580-E583 PolarHBondContact O-N 3.5Å; V580-V584 HydrophobicContact CG1-CG2 4.32Å; V580-V584 VanDerWaalsContact O-CB 3.27Å; V580-V584 WeakPolarHBondContact O-CB 3.03Å; V580-V584 WeakPolarHBondContact O-CG2 3.12Å; V580-V584 PolarHBondContact O-N 3.42Å
581	E	83.1	Confident	69.8	Low	99 Å²	99	82.9 Å²	82.9	46%	0.463	44%	0.442	S	S	.	.	H	α-helix	trans	-59.5	-44.5	176.8	-74.8	177.1	178.1	0	0	110.8	L577 H579 V584 D585	L577-E581 WeakPolarHBondContact O-CB 3.49Å; L577-E581 VanDerWaalsContact O-CG 3.31Å; L577-E581 WeakPolarHBondContact O-CG 3.46Å; L577-E581 PolarHBondContact O-N 3.07Å; H579-E581 PolarHBondContact O-N 3.11Å; E581-V584 PolarHBondContact O-N 2.91Å; E581-D585 WeakPolarHBondContact O-CA 3.26Å; E581-D585 WeakPolarHBondContact O-CB 3.29Å; E581-D585 VanDerWaalsContact O-CG 3.3Å; E581-D585 PolarHBondContact O-N 3.13Å
582	T	75.1	Confident	67.1	Low	78 Å²	78	92.6 Å²	92.6	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-73.2	-34.5	-177.6	-53	0	0	0	0	113.1	Y578 H579 V580	Y578-T582 VanDerWaalsContact O-CB 3.28Å; Y578-T582 WeakPolarHBondContact O-CB 3.42Å; Y578-T582 PolarHBondContact O-N 3.06Å; Y578-T582 PolarHBondContact O-OG1 3.48Å; H579-T582 PolarHBondContact O-N 2.86Å; V580-T582 VanDerWaalsContact C-N 3.32Å; V580-T582 PolarHBondContact O-N 2.83Å
583	E	65.9	Low	64.5	Low	135 Å²	135	100.3 Å²	100.3	63%	0.631	51%	0.511	S	S	*	.	H	α-helix	trans	-69.3	-37.7	173.8	-78.1	-169.1	160.9	0	0	112	P319 H579 V580	P319-E583 WeakPolarHBondContact CB-OE1 3.39Å; H579-E583 WeakPolarHBondContact O-CB 3.41Å; H579-E583 WeakPolarHBondContact O-CG 3.38Å; H579-E583 PolarHBondContact O-N 2.86Å; V580-E583 PolarHBondContact O-N 3.5Å
584	V	54.5	Low	61.8	Low	91 Å²	91	101.9 Å²	101.9	55%	0.552	55%	0.548	S	S	*	.	H	α-helix	trans	-77.5	-29.3	176.7	177.7	0	0	0	0	111	V580 E581 G586 R587	V580-V584 HydrophobicContact CG1-CG2 4.32Å; V580-V584 VanDerWaalsContact O-CB 3.27Å; V580-V584 WeakPolarHBondContact O-CB 3.03Å; V580-V584 WeakPolarHBondContact O-CG2 3.12Å; V580-V584 PolarHBondContact O-N 3.42Å; E581-V584 PolarHBondContact O-N 2.91Å; V584-G586 PolarHBondContact O-N 2.91Å; V584-R587 PolarHBondContact O-N 3.14Å; V584-R587 VanDerWaalsContact O-N 3.13Å
585	D	46.4	Very low	60.3	Low	71 Å²	71	106.7 Å²	106.7	38%	0.38	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.4	40.4	-179.1	-86.9	9.8	0	0	0	115.7	E581 R587 R588 S589	E581-D585 WeakPolarHBondContact O-CA 3.26Å; E581-D585 WeakPolarHBondContact O-CB 3.29Å; E581-D585 VanDerWaalsContact O-CG 3.3Å; E581-D585 PolarHBondContact O-N 3.13Å; D585-R587 PolarHBondContact O-N 2.64Å; D585-R588 VanDerWaalsContact CG-CA 3.42Å; D585-R588 WeakPolarHBondContact OD1-CA 3.02Å; D585-R588 PolarHBondContact OD1-N 2.73Å; D585-R588 WeakPolarHBondContact OD2-CA 3.23Å; D585-S589 PolarHBondContact OD1-N 3.1Å
586	G	47.5	Very low	58.6	Low	77 Å²	77	112.2 Å²	112.2	79%	0.794	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn		-59.6	-16.8	128.6	0	0	0	0	0	112.4	V584	V584-G586 PolarHBondContact O-N 2.91Å
587	R	43.9	Very low	56.9	Low	215 Å²	215	113.3 Å²	113.3	81%	0.811	61%	0.611	S	S	*	*	S	Bend	trans	-149.3	111.3	170.1	-67.7	-176.1	-179.4	174.1	0.4	113.3	V584 D585 S589	V584-R587 PolarHBondContact O-N 3.14Å; V584-R587 VanDerWaalsContact O-N 3.13Å; D585-R587 PolarHBondContact O-N 2.64Å; R587-S589 PolarHBondContact O-N 2.94Å
588	R	39.8	Very low	54.9	Low	223 Å²	223	116.1 Å²	116.1	84%	0.842	63%	0.626	S	S	*	*			trans	-22.4	120.6	169.8	-77.1	-178.1	178.2	176.5	-1.8	115.2	D585	D585-R588 VanDerWaalsContact CG-CA 3.42Å; D585-R588 WeakPolarHBondContact OD1-CA 3.02Å; D585-R588 PolarHBondContact OD1-N 2.73Å; D585-R588 WeakPolarHBondContact OD2-CA 3.23Å
589	S	35.6	Very low	52.7	Low	60 Å²	60	119.9 Å²	119.9	42%	0.42	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-54.8	133.1	160	-61.3	0	0	0	0	111.1	D585 R587	D585-S589 PolarHBondContact OD1-N 3.1Å; R587-S589 PolarHBondContact O-N 2.94Å
590	P	37	Very low	50.4	Low	112 Å²	112	126.9 Å²	126.9	73%	0.727	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-70.4	157.5	168.2	15.6	-5.6	0	0	0	110.3	W592	P590-W592 PolarHBondContact O-N 2.9Å
591	P	33.2	Very low	47.8	Very low	121 Å²	121	130.1 Å²	130.1	79%	0.786	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-57	136.1	179	23.7	-32.1	0	0	0	110.9	E593	P591-E593 PolarHBondContact O-N 3.03Å
592	W	34.3	Very low	45.1	Very low	229 Å²	229	132.5 Å²	132.5	87%	0.867	72%	0.724	S	S	*	*			trans	-71.8	112.2	176.6	-161.8	59.5	0	0	0	109.2	P590	P590-W592 PolarHBondContact O-N 2.9Å
593	E	36.9	Very low	42.6	Very low	193 Å²	193	137.1 Å²	137.1	90%	0.902	74%	0.744	S	S	*	*			trans	-100.8	116.2	163.7	-76.1	-173.5	167.8	0	0	108.1	P591	P591-E593 PolarHBondContact O-N 3.03Å
594	G	36.9	Very low	40.5	Very low	118 Å²	118	137.3 Å²	137.3	100%	1.216	75%	0.754	S	S	*	*			trans	-179.1	0	177.2	0	0	0	0	0	111.7

Retrieved 594 of 594 residues in 908.4 ms (Link to these results)

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