A0A060W7F1_ONCMY Loading...

Acetyl-coenzyme A synthetase

AlphaFold DB , UniProt , Accession A0A060W7F1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene acss1, Length 699 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	26.3	Very low	251 Å²	251	146.1 Å²	146.1	100%	1.236	83%	0.826	S	S	*	*				0	123.4	0	-60.2	178.6	-158.1	0	0	106.6
2	A	28.5	Very low	26.3	Very low	94 Å²	94	147.6 Å²	147.6	78%	0.777	83%	0.827	S	S	*	*			cis	-156.7	124.7	-0.8	0	0	0	0	0	104.2
3	A	26.6	Very low	26.2	Very low	90 Å²	90	146.5 Å²	146.5	74%	0.744	82%	0.816	S	S	*	*				87.4	109.6	92.8	0	0	0	0	0	114.7
4	H	27.7	Very low	26.2	Very low	167 Å²	167	145.8 Å²	145.8	77%	0.773	81%	0.81	S	S	*	*			trans	35.9	124.8	139.2	-75.3	-71	0	0	0	121.5
5	K	26.8	Very low	26.7	Very low	216 Å²	216	151.1 Å²	151.1	94%	0.939	81%	0.813	S	S	*	*				-134.1	119.3	127.3	-86.4	-171.7	177.3	177.8	0	110.7
6	N	26.4	Very low	26.8	Very low	145 Å²	145	147.8 Å²	147.8	78%	0.775	81%	0.812	S	S	*	*			trans	-88.8	153.7	171.1	-90.1	-15.1	0	0	0	110.9
7	G	24	Very low	27	Very low	80 Å²	80	144.7 Å²	144.7	83%	0.825	80%	0.804	S	S	*	*			trans	85.6	131.6	155.5	0	0	0	0	0	114.4
8	S	24.5	Very low	27.2	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	81%	0.805	S	S	*	*			cis	-157.8	127.2	22.2	174.6	0	0	0	0	108.5	I10	S8-I10 PolarHBondContact O-N 2.84Å
9	L	24	Very low	28.1	Very low	162 Å²	162	144.8 Å²	144.8	85%	0.848	80%	0.798	S	S	*	*			trans	-74	109.2	164.4	-110.7	86.7	0	0	0	107.4
10	I	25.6	Very low	28.7	Very low	150 Å²	150	144 Å²	144	77%	0.769	79%	0.787	S	S	*	*			trans	-98.2	113.2	163.8	-67.6	177.6	0	0	0	107.5	S8 I12	S8-I10 PolarHBondContact O-N 2.84Å; I10-I12 PolarHBondContact O-N 2.86Å
11	H	25.3	Very low	28.8	Very low	154 Å²	154	146.6 Å²	146.6	71%	0.713	79%	0.79	S	S	*	*			trans	-54.6	122.2	175.3	-88.3	3.8	0	0	0	112.1	I13	H11-I13 HydrophobicContact CB-CG1 4.47Å; H11-I13 PolarHBondContact O-N 3.06Å
12	I	25.5	Very low	28.7	Very low	164 Å²	164	142.9 Å²	142.9	84%	0.841	78%	0.776	S	S	*	*			trans	-72.8	103.5	157	-66.2	168.9	0	0	0	106.3	I10 N14	I10-I12 PolarHBondContact O-N 2.86Å; I12-N14 PolarHBondContact O-N 2.76Å
13	I	26.1	Very low	28.7	Very low	134 Å²	134	141.5 Å²	141.5	69%	0.687	77%	0.77	S	S	*	*			trans	-79.8	110.7	173.2	-67.4	174.3	0	0	0	108.1	H11 R15	H11-I13 HydrophobicContact CB-CG1 4.47Å; H11-I13 PolarHBondContact O-N 3.06Å; I13-R15 HydrophobicContact CG2-CG 4.34Å; I13-R15 PolarHBondContact O-N 2.95Å; I13-R15 VanDerWaalsContact O-N 3.13Å
14	N	26	Very low	28.8	Very low	136 Å²	136	142.7 Å²	142.7	73%	0.727	77%	0.773	S	S	*	*			trans	-60.6	104.1	163.1	-98.3	-28.9	0	0	0	109.6	I12 A16	I12-N14 PolarHBondContact O-N 2.76Å; N14-A16 PolarHBondContact O-N 2.92Å
15	R	32.7	Very low	28.8	Very low	226 Å²	226	145 Å²	145	85%	0.853	78%	0.776	S	S	*	*			trans	-91.9	81.3	165.5	-78.4	-173.6	175.9	-171.8	-0.8	109.3	I13	I13-R15 HydrophobicContact CG2-CG 4.34Å; I13-R15 PolarHBondContact O-N 2.95Å; I13-R15 VanDerWaalsContact O-N 3.13Å
16	A	29.6	Very low	28.7	Very low	97 Å²	97	146.2 Å²	146.2	80%	0.802	78%	0.775	S	S	*	*			trans	-155.9	21.7	168.4	0	0	0	0	0	113.6	N14	N14-A16 PolarHBondContact O-N 2.92Å
17	S	29	Very low	28.8	Very low	96 Å²	96	149.1 Å²	149.1	67%	0.671	78%	0.781	S	S	*	*			trans	-130	28.9	-167.4	41.3	0	0	0	0	115.1
18	V	31.4	Very low	28.8	Very low	135 Å²	135	156.6 Å²	156.6	82%	0.818	78%	0.784	S	S	*	*	S	Bend	trans	-96.3	-4.2	175.4	-177.5	0	0	0	0	113.5
19	F	44.7	Very low	28.8	Very low	156 Å²	156	158.9 Å²	158.9	68%	0.684	79%	0.787	S	S	*	*	S	Bend	trans	-116.2	125.7	170.7	-68.6	-84.8	0	0	0	109.3
20	F	40.6	Very low	28.9	Very low	129 Å²	129	158.7 Å²	158.7	57%	0.566	79%	0.786	S	S	*	*	S	Bend	trans	80	81.4	178.2	-46.6	-74.7	0	0	0	117.5	V148	F20-V148 HydrophobicContact CE2-CG1 4.43Å; F20-V148 HydrophobicContact CZ-CG1 4.23Å
21	K	29.5	Very low	28.9	Very low	199 Å²	199	158.9 Å²	158.9	87%	0.865	79%	0.788	S	S	*	*			trans	162.8	119.7	130.5	-92.5	173.6	-178.5	178.5	0	111.2
22	N	29.1	Very low	28.9	Very low	173 Å²	173	158 Å²	158	93%	0.925	79%	0.794	S	S	*	*				177.1	133.8	121.9	-93	-23.3	0	0	0	112
23	G	27.5	Very low	28.9	Very low	64 Å²	64	155.5 Å²	155.5	66%	0.66	79%	0.79	S	S	*	*			trans	-178.4	68.4	173.8	0	0	0	0	0	111.9	Y25	G23-Y25 PolarHBondContact O-N 2.85Å
24	S	28.8	Very low	29	Very low	115 Å²	115	157.1 Å²	157.1	80%	0.804	80%	0.8	S	S	*	*			trans	-69.5	118.4	169.2	169.5	0	0	0	0	109.8
25	Y	27.8	Very low	29	Very low	216 Å²	216	159.6 Å²	159.6	85%	0.847	80%	0.804	S	S	*	*			trans	-117.8	113.1	169.4	-86.1	-83.5	0	0	0	110.9	G23	G23-Y25 PolarHBondContact O-N 2.85Å
26	R	25.9	Very low	28.7	Very low	241 Å²	241	154.9 Å²	154.9	91%	0.909	80%	0.803	S	S	*	*			trans	-69.5	121	167.2	-77.5	-180	168.9	-174.6	-3.5	109.4	R28	R26-R28 PolarHBondContact O-N 3.39Å
27	K	26.6	Very low	28.5	Very low	206 Å²	206	157.1 Å²	157.1	90%	0.896	81%	0.806	S	S	*	*			trans	-66.3	123	165.9	-84.5	177.7	173.9	176	0	109.8
28	R	25	Very low	28.3	Very low	238 Å²	238	161.9 Å²	161.9	90%	0.898	82%	0.818	S	S	*	*			trans	-106	123.3	154.4	-91.9	-175.2	178.2	-177.6	0	108	R26	R26-R28 PolarHBondContact O-N 3.39Å
29	I	25.4	Very low	27.9	Very low	146 Å²	146	161.4 Å²	161.4	75%	0.749	82%	0.819	S	S	*	*			trans	-78.5	128.7	173	-66.6	164.2	0	0	0	107.4
30	L	25.4	Very low	27	Very low	158 Å²	158	163 Å²	163	83%	0.827	83%	0.829	S	S	*	*			trans	-136.6	107.5	160.5	-111.4	127.4	0	0	0	108.2
31	L	24.7	Very low	26.2	Very low	154 Å²	154	168.5 Å²	168.5	81%	0.806	85%	0.846	S	S	*	*			trans	-72.4	128.8	167.3	-84.2	142.5	0	0	0	108.7
32	T	26.4	Very low	26	Very low	136 Å²	136	170.6 Å²	170.6	83%	0.834	85%	0.848	S	S	*	*			trans	-150.2	125.3	148.9	24.6	0	0	0	0	109.4
33	S	25.1	Very low	25.8	Very low	110 Å²	110	169 Å²	169	77%	0.769	85%	0.845	S	S	*	*			trans	-71.4	152.4	172.9	63.9	0	0	0	0	111.1
34	L	27.5	Very low	25.8	Very low	169 Å²	169	172.6 Å²	172.6	89%	0.885	85%	0.854	S	S	*	*			trans	-167.6	155.2	135.8	-97.3	160.1	0	0	0	111
35	K	26.4	Very low	25.7	Very low	187 Å²	187	171.8 Å²	171.8	81%	0.813	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.4	165.6	-149.7	-73.2	173.9	176	177	0	117.1
36	P	26.3	Very low	25.9	Very low	128 Å²	128	167.2 Å²	167.2	83%	0.831	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-88.9	146.6	-172.5	35.4	-31.8	0	0	0	113.3
37	V	25.5	Very low	26.1	Very low	144 Å²	144	163.3 Å²	163.3	87%	0.873	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-95.6	121.3	169.1	176.6	0	0	0	0	108.9
38	Q	24.1	Very low	26.1	Very low	196 Å²	196	156.5 Å²	156.5	92%	0.916	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-65.4	128.9	171.2	-92.3	171.7	-27.4	0	0	110.6
39	C	23.8	Very low	26.4	Very low	125 Å²	125	153.2 Å²	153.2	85%	0.845	83%	0.832	S	S	*	*			trans	-124.7	129.6	161.3	-158.3	0	0	0	0	109.3
40	Q	24.9	Very low	26.8	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-64.5	130	-168.9	-71.5	171.7	-25.3	0	0	112.3	R42	Q40-R42 PolarHBondContact O-N 3.04Å
41	R	24.2	Very low	27.3	Very low	245 Å²	245	156.6 Å²	156.6	93%	0.925	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-72.7	117.5	167.9	-75.1	179.6	175.2	-178	-2.3	109.4
42	R	25.7	Very low	28.2	Very low	243 Å²	243	152.4 Å²	152.4	92%	0.917	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89.1	117.1	153.5	-83.2	-176.2	175.4	-178.3	-1.4	108.1	Q40 V44	Q40-R42 PolarHBondContact O-N 3.04Å; R42-V44 PolarHBondContact O-N 2.76Å
43	T	24.9	Very low	29.1	Very low	140 Å²	140	150.3 Å²	150.3	86%	0.859	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-67	117.6	169.3	27.5	0	0	0	0	109.6
44	V	28.5	Very low	30.1	Very low	139 Å²	139	147.1 Å²	147.1	84%	0.842	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-96	119.5	161.4	179	0	0	0	0	106.8	R42	R42-V44 PolarHBondContact O-N 2.76Å
45	S	26	Very low	31.2	Very low	97 Å²	97	142.1 Å²	142.1	68%	0.678	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-60.7	138.1	177.3	50.2	0	0	0	0	111.8	I47	S45-I47 PolarHBondContact O-N 2.96Å
46	S	30.9	Very low	32.5	Very low	120 Å²	120	134.4 Å²	134.4	84%	0.839	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-49.3	120.1	172.8	52.2	0	0	0	0	113.4
47	I	31.2	Very low	34.1	Very low	159 Å²	159	133.5 Å²	133.5	82%	0.815	71%	0.705	S	S	*	*			trans	-110	126.3	156.6	-67.5	173	0	0	0	105.8	S45	S45-I47 PolarHBondContact O-N 2.96Å
48	G	26.8	Very low	36.2	Very low	64 Å²	64	127 Å²	127	66%	0.66	67%	0.666	S	S	*	*			trans	-60.2	161.6	-160.4	0	0	0	0	0	117.3	R50	G48-R50 PolarHBondContact O-N 3.28Å
49	D	30.8	Very low	38.5	Very low	168 Å²	168	117.7 Å²	117.7	90%	0.898	62%	0.623	S	S	*	*			trans	-47	98	174	-73.4	-42.8	0	0	0	112.3
50	R	33.8	Very low	40.8	Very low	208 Å²	208	115.7 Å²	115.7	79%	0.785	61%	0.61	S	S	*	*			trans	-92.1	105.9	150.7	-66.3	-169.5	-158.3	-165.4	5.6	106.8	G48 T52	G48-R50 PolarHBondContact O-N 3.28Å; R50-T52 PolarHBondContact O-N 2.86Å
51	N	35.7	Very low	43.2	Very low	168 Å²	168	112 Å²	112	90%	0.898	60%	0.596	S	S	*	*			trans	-74.7	42.8	179.7	-128.5	-7.1	0	0	0	111.7
52	T	44.8	Very low	45.7	Very low	66 Å²	66	100.9 Å²	100.9	41%	0.405	56%	0.555	S	S	.	*			trans	-123.1	91.5	-178.1	51.8	0	0	0	0	108.1	R50	R50-T52 PolarHBondContact O-N 2.86Å
53	N	43.9	Very low	48.2	Very low	92 Å²	92	91.4 Å²	91.4	49%	0.492	53%	0.529	S	S	.	.			trans	-147.5	102.1	167.6	-83.2	-47.9	0	0	0	109	T55 G64	N53-T55 HydrophobicContact CB-CG2 4.27Å; N53-T55 PolarHBondContact O-N 3.19Å; N53-G64 VanDerWaalsContact OD1-CA 3.31Å; N53-G64 WeakPolarHBondContact OD1-CA 3.34Å
54	L	47.5	Very low	50.7	Low	42 Å²	42	86.5 Å²	86.5	22%	0.22	51%	0.506	C	S	.	.			trans	-61.3	88.7	151.2	-72.1	159.3	0	0	0	106.4	L70 P466	L54-L70 HydrophobicContact CD1-CD1 4.15Å; L54-P466 HydrophobicContact CD2-CB 4.11Å
55	T	49.8	Very low	53.4	Low	64 Å²	64	84.5 Å²	84.5	39%	0.393	48%	0.483	S	S	.	.	S	Bend	trans	-91.7	135.3	165.9	36.7	0	0	0	0	108	N53	N53-T55 HydrophobicContact CB-CG2 4.27Å; N53-T55 PolarHBondContact O-N 3.19Å
56	P	52.6	Low	56.5	Low	26 Å²	26	81.1 Å²	81.1	17%	0.169	46%	0.459	C	S	.	.	S	Bend	cis	-84.2	160.4	18.9	-19.3	38.9	0	0	0	114.4	L58 Q329 Y330	P56-L58 PolarHBondContact O-N 3.21Å; P56-Q329 HydrophobicContact CG-CG 4.15Å; P56-Y330 PolarHBondContact O-OH 3.41Å
57	H	61.2	Low	59.4	Low	108 Å²	108	75.9 Å²	75.9	50%	0.5	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.9	128.7	-177.5	-60	-64.5	0	0	0	112.2	A63 R89	H57-A63 WeakPolarHBondContact ND1-CB 3.38Å; H57-R89 PolarHBondContact O-NH2 3.19Å
58	L	69.4	Low	62.4	Low	7 Å²	7	73 Å²	73	4%	0.037	41%	0.408	C	S	.	.	S	Bend	trans	-66.5	-47	-178.3	-122.8	130.7	0	0	0	111.4	P56 L70 F81 I85 R89 L326 Y330 F483	P56-L58 PolarHBondContact O-N 3.21Å; L58-L70 HydrophobicContact CD1-CD1 3.67Å; L58-L70 HydrophobicContact CD1-CD2 4.27Å; L58-F81 HydrophobicContact CD2-CE2 4.15Å; L58-F81 HydrophobicContact CD2-CZ 3.74Å; L58-I85 HydrophobicContact CD2-CD1 3.22Å; L58-I85 HydrophobicContact CD2-CG1 3.76Å; L58-R89 PolarHBondContact O-NE 3.27Å; L58-L326 HydrophobicContact CD2-CD2 4.46Å; L58-Y330 WeakPolarHBondContact CA-OH 3.23Å; L58-Y330 WeakPolarHBondContact CB-OH 3.35Å; L58-Y330 HydrophobicContact CD1-CD1 4.35Å; L58-Y330 HydrophobicContact CD1-CD2 4.43Å; L58-Y330 HydrophobicContact CD1-CE1 3.68Å; L58-Y330 HydrophobicContact CD1-CE2 3.78Å; L58-Y330 HydrophobicContact CD2-CE2 4.5Å; L58-Y330 HydrophobicContact CG-CE1 4.27Å; L58-Y330 HydrophobicContact CG-CE2 3.62Å; L58-Y330 VanDerWaalsContact CG-CZ 3.44Å; L58-Y330 VanDerWaalsContact CG-OH 3.23Å; L58-Y330 WeakPolarHBondContact CG-OH 3.31Å; L58-Y330 PolarHBondContact N-OH 3.47Å; L58-F483 HydrophobicContact CD1-CD2 4.43Å; L58-F483 HydrophobicContact CD1-CE2 3.69Å; L58-F483 HydrophobicContact CD1-CZ 4.09Å
59	S	72.1	Confident	65.6	Low	2 Å²	2	74.6 Å²	74.6	1%	0.014	40%	0.398	C	S	.	.			trans	-154.3	162.4	164.6	63.6	0	0	0	0	107.6	N61 L62 A63 E88	S59-N61 PolarHBondContact O-N 3.08Å; S59-L62 CarbonylContact O-C 3.32Å; S59-L62 PolarHBondContact O-N 3.29Å; S59-L62 VanDerWaalsContact O-N 3.11Å; S59-L62 WeakPolarHBondContact OG-CB 3.44Å; S59-L62 WeakPolarHBondContact OG-CD1 3Å; S59-L62 WeakPolarHBondContact OG-CG 3.41Å; S59-L62 PolarHBondContact OG-N 2.83Å; S59-A63 PolarHBondContact O-N 3.37Å; S59-A63 VanDerWaalsContact O-N 3.16Å; S59-E88 WeakPolarHBondContact CA-OE2 3.43Å; S59-E88 VanDerWaalsContact CB-OE2 3.26Å; S59-E88 WeakPolarHBondContact CB-OE2 3.36Å
60	S	72.9	Confident	68.7	Low	82 Å²	82	66.7 Å²	66.7	57%	0.573	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-57.8	-36.3	176.5	66.1	0	0	0	0	112.1	L62 E88	S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.13Å; S60-E88 PolarHBondContact N-OE1 2.86Å; S60-E88 PolarHBondContact N-OE2 3.5Å; S60-E88 PolarHBondContact OG-OE1 2.73Å
61	N	73.6	Confident	71.6	Confident	113 Å²	113	59.2 Å²	59.2	60%	0.604	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.6	-17.8	178.7	-65.7	-30	0	0	0	114.1	S59	S59-N61 PolarHBondContact O-N 3.08Å
62	L	78.2	Confident	74.6	Confident	11 Å²	11	55.8 Å²	55.8	6%	0.058	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-114.5	10.5	-177	-59.5	176.8	0	0	0	112.4	S59 S60 G64 W65 L70 L73 F81 I85	S59-L62 CarbonylContact O-C 3.32Å; S59-L62 PolarHBondContact O-N 3.29Å; S59-L62 VanDerWaalsContact O-N 3.11Å; S59-L62 WeakPolarHBondContact OG-CB 3.44Å; S59-L62 WeakPolarHBondContact OG-CD1 3Å; S59-L62 WeakPolarHBondContact OG-CG 3.41Å; S59-L62 PolarHBondContact OG-N 2.83Å; S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 3.13Å; L62-G64 PolarHBondContact O-N 3.43Å; L62-W65 HydrophobicContact CD2-CD2 4.47Å; L62-L70 HydrophobicContact CB-CD2 3.95Å; L62-L70 HydrophobicContact CD1-CD2 4.2Å; L62-L70 HydrophobicContact CG-CD2 4.47Å; L62-L73 HydrophobicContact CD1-CD2 4.49Å; L62-L73 HydrophobicContact CD2-CD2 3.47Å; L62-L73 VanDerWaalsContact CD2-CD2 3.47Å; L62-F81 HydrophobicContact CD1-CD2 3.99Å; L62-F81 HydrophobicContact CD1-CE2 4.17Å; L62-I85 HydrophobicContact CD1-CD1 4.3Å; L62-I85 HydrophobicContact CD1-CG1 4.16Å
63	A	76.6	Confident	77	Confident	44 Å²	44	54.1 Å²	54.1	36%	0.364	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	134.6	179.1	0	0	0	0	0	111	H57 S59	H57-A63 WeakPolarHBondContact ND1-CB 3.38Å; S59-A63 PolarHBondContact O-N 3.37Å; S59-A63 VanDerWaalsContact O-N 3.16Å
64	G	78.1	Confident	79.6	Confident	36 Å²	36	49.7 Å²	49.7	37%	0.371	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-3.5	177.1	0	0	0	0	0	116.1	N53 L62	N53-G64 VanDerWaalsContact OD1-CA 3.31Å; N53-G64 WeakPolarHBondContact OD1-CA 3.34Å; L62-G64 PolarHBondContact O-N 3.43Å
65	W	86	Confident	82	Confident	98 Å²	98	48.9 Å²	48.9	37%	0.371	27%	0.268	S	S	.	.			trans	-76.6	143.4	178.2	-69.5	43.9	0	0	0	111.1	L62 E69 L70 L73	L62-W65 HydrophobicContact CD2-CD2 4.47Å; W65-E69 HydrophobicContact CB-CB 4.37Å; W65-E69 HydrophobicContact CD2-CB 4.32Å; W65-E69 HydrophobicContact CE3-CB 3.59Å; W65-E69 HydrophobicContact CZ3-CB 4.21Å; W65-L70 HydrophobicContact CB-CD1 4.26Å; W65-L70 HydrophobicContact CB-CD2 3.85Å; W65-L70 HydrophobicContact CB-CG 3.72Å; W65-L70 HydrophobicContact CG-CD2 4.43Å; W65-L73 HydrophobicContact CE3-CD2 4.48Å; W65-L73 HydrophobicContact CH2-CD2 4.3Å; W65-L73 HydrophobicContact CZ3-CB 4.24Å; W65-L73 HydrophobicContact CZ3-CD2 3.93Å
66	S	90.1	Very high	84.3	Confident	26 Å²	26	53.2 Å²	53.2	18%	0.182	28%	0.281	C	S	.	.			trans	-70.8	167.4	173.2	64	0	0	0	0	112	N68 E69 L70	S66-N68 VanDerWaalsContact C-N 3.29Å; S66-N68 PolarHBondContact O-N 2.68Å; S66-E69 WeakPolarHBondContact CB-OE2 3.46Å; S66-E69 PolarHBondContact N-OE2 3.3Å; S66-E69 PolarHBondContact O-N 2.92Å; S66-E69 VanDerWaalsContact OG-CD 3.27Å; S66-E69 VanDerWaalsContact OG-CG 3.26Å; S66-E69 WeakPolarHBondContact OG-CG 3.41Å; S66-E69 PolarHBondContact OG-N 2.94Å; S66-E69 PolarHBondContact OG-OE2 2.88Å; S66-L70 WeakPolarHBondContact O-CB 3.16Å; S66-L70 WeakPolarHBondContact O-CD1 3.48Å; S66-L70 VanDerWaalsContact O-CG 3.31Å; S66-L70 WeakPolarHBondContact O-CG 3.49Å; S66-L70 PolarHBondContact O-N 3.36Å; S66-L70 VanDerWaalsContact O-N 3.11Å
67	Y	92.9	Very high	86.4	Confident	9 Å²	9	54.9 Å²	54.9	4%	0.035	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-44.6	176.5	161.2	-99.3	0	0	0	110.7	E69 L70 Y71 P466 E468 P481 F483	Y67-E69 PolarHBondContact O-N 3.4Å; Y67-L70 PolarHBondContact O-N 3.39Å; Y67-Y71 VanDerWaalsContact O-CB 3.26Å; Y67-Y71 WeakPolarHBondContact O-CB 3.43Å; Y67-Y71 PolarHBondContact O-N 3.25Å; Y67-P466 HydrophobicContact CD2-CB 4.37Å; Y67-P466 HydrophobicContact CD2-CG 4.02Å; Y67-P466 WeakPolarHBondContact CD2-O 3.33Å; Y67-P466 HydrophobicContact CE2-CG 4.25Å; Y67-P466 WeakPolarHBondContact CE2-O 3.43Å; Y67-E468 PolarHBondContact N-OE1 3.29Å; Y67-E468 VanDerWaalsContact N-OE1 3.1Å; Y67-P481 PolarHBondContact OH-O 3.22Å; Y67-F483 AromaticContact CD2-CE1 3.74Å; Y67-F483 HydrophobicContact CD2-CE1 3.74Å; Y67-F483 HydrophobicContact CD2-CZ 4.2Å; Y67-F483 HydrophobicContact CE2-CE1 4.05Å
68	N	92.9	Very high	88.1	Confident	99 Å²	99	50.3 Å²	50.3	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-43.4	-177.6	-70.8	-31.6	0	0	0	112.3	S66 Y71 E72	S66-N68 VanDerWaalsContact C-N 3.29Å; S66-N68 PolarHBondContact O-N 2.68Å; N68-Y71 PolarHBondContact O-N 3.07Å; N68-E72 VanDerWaalsContact O-CB 3.26Å; N68-E72 WeakPolarHBondContact O-CB 3.49Å; N68-E72 PolarHBondContact O-N 2.79Å
69	E	94.6	Very high	89.4	Confident	97 Å²	97	54.5 Å²	54.5	45%	0.453	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-42.5	178	-68.4	163.3	134.8	0	0	111.4	W65 S66 Y67 L73	W65-E69 HydrophobicContact CB-CB 4.37Å; W65-E69 HydrophobicContact CD2-CB 4.32Å; W65-E69 HydrophobicContact CE3-CB 3.59Å; W65-E69 HydrophobicContact CZ3-CB 4.21Å; S66-E69 WeakPolarHBondContact CB-OE2 3.46Å; S66-E69 PolarHBondContact N-OE2 3.3Å; S66-E69 PolarHBondContact O-N 2.92Å; S66-E69 VanDerWaalsContact OG-CD 3.27Å; S66-E69 VanDerWaalsContact OG-CG 3.26Å; S66-E69 WeakPolarHBondContact OG-CG 3.41Å; S66-E69 PolarHBondContact OG-N 2.94Å; S66-E69 PolarHBondContact OG-OE2 2.88Å; Y67-E69 PolarHBondContact O-N 3.4Å; E69-L73 WeakPolarHBondContact O-CB 3.28Å; E69-L73 PolarHBondContact O-N 2.85Å
70	L	95.1	Very high	90.5	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-66.1	-42.8	176.8	-70.8	166	0	0	0	111.9	L54 L58 L62 W65 S66 Y67 L73 S74 F81 F483	L54-L70 HydrophobicContact CD1-CD1 4.15Å; L58-L70 HydrophobicContact CD1-CD1 3.67Å; L58-L70 HydrophobicContact CD1-CD2 4.27Å; L62-L70 HydrophobicContact CB-CD2 3.95Å; L62-L70 HydrophobicContact CD1-CD2 4.2Å; L62-L70 HydrophobicContact CG-CD2 4.47Å; W65-L70 HydrophobicContact CB-CD1 4.26Å; W65-L70 HydrophobicContact CB-CD2 3.85Å; W65-L70 HydrophobicContact CB-CG 3.72Å; W65-L70 HydrophobicContact CG-CD2 4.43Å; S66-L70 WeakPolarHBondContact O-CB 3.16Å; S66-L70 WeakPolarHBondContact O-CD1 3.48Å; S66-L70 VanDerWaalsContact O-CG 3.31Å; S66-L70 WeakPolarHBondContact O-CG 3.49Å; S66-L70 PolarHBondContact O-N 3.36Å; S66-L70 VanDerWaalsContact O-N 3.11Å; Y67-L70 PolarHBondContact O-N 3.39Å; L70-L73 PolarHBondContact O-N 3.11Å; L70-S74 VanDerWaalsContact O-CB 3.28Å; L70-S74 WeakPolarHBondContact O-CB 3.29Å; L70-S74 PolarHBondContact O-N 2.91Å; L70-S74 PolarHBondContact O-OG 2.94Å; L70-F81 HydrophobicContact CB-CE2 4.28Å; L70-F81 HydrophobicContact CD2-CE2 4.08Å; L70-F483 HydrophobicContact CB-CD1 4.11Å; L70-F483 HydrophobicContact CB-CE1 3.54Å; L70-F483 HydrophobicContact CB-CZ 4.01Å; L70-F483 HydrophobicContact CD1-CE1 4.44Å; L70-F483 HydrophobicContact CD1-CZ 4.09Å
71	Y	96.8	Very high	91.6	Very high	51 Å²	51	53.8 Å²	53.8	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-49.2	176.3	176.2	-104.4	0	0	0	111	Y67 N68 L73 S74 V75 P481 I485	Y67-Y71 VanDerWaalsContact O-CB 3.26Å; Y67-Y71 WeakPolarHBondContact O-CB 3.43Å; Y67-Y71 PolarHBondContact O-N 3.25Å; N68-Y71 PolarHBondContact O-N 3.07Å; Y71-L73 VanDerWaalsContact C-N 3.35Å; Y71-L73 PolarHBondContact O-N 3.14Å; Y71-S74 WeakPolarHBondContact CA-OG 3.42Å; Y71-S74 PolarHBondContact O-N 2.83Å; Y71-S74 VanDerWaalsContact O-N 3.17Å; Y71-S74 PolarHBondContact O-OG 2.82Å; Y71-V75 HydrophobicContact CD2-CG2 4.36Å; Y71-V75 HydrophobicContact CE1-CG2 4.31Å; Y71-V75 HydrophobicContact CE2-CG2 3.86Å; Y71-V75 WeakPolarHBondContact O-CG2 3.44Å; Y71-V75 PolarHBondContact O-N 3.02Å; Y71-V75 VanDerWaalsContact O-N 3.09Å; Y71-P481 HydrophobicContact CD2-CG 4.28Å; Y71-P481 HydrophobicContact CE1-CG 4.32Å; Y71-P481 HydrophobicContact CE2-CB 3.78Å; Y71-P481 HydrophobicContact CE2-CG 3.45Å; Y71-P481 VanDerWaalsContact CE2-CG 3.45Å; Y71-P481 VanDerWaalsContact CZ-CG 3.46Å; Y71-P481 WeakPolarHBondContact OH-CG 3.49Å; Y71-I485 VanDerWaalsContact CE2-O 3.23Å; Y71-I485 WeakPolarHBondContact CE2-O 3.4Å; Y71-I485 PolarHBondContact OH-O 3.15Å; Y71-I485 VanDerWaalsContact OH-O 3.1Å
72	E	96.9	Very high	92.8	Very high	96 Å²	96	48.4 Å²	48.4	45%	0.449	25%	0.251	S	S	.	.	H	α-helix	trans	-57.8	-46.8	177.3	-177	174.3	179	0	0	111.6	N68 S74 V75 K76	N68-E72 VanDerWaalsContact O-CB 3.26Å; N68-E72 WeakPolarHBondContact O-CB 3.49Å; N68-E72 PolarHBondContact O-N 2.79Å; E72-S74 PolarHBondContact O-N 3.14Å; E72-V75 PolarHBondContact O-N 2.88Å; E72-K76 HydrophobicContact CG-CD 3.74Å; E72-K76 HydrophobicContact CG-CG 4.28Å; E72-K76 WeakPolarHBondContact O-CB 3.49Å; E72-K76 WeakPolarHBondContact O-CG 3.19Å; E72-K76 PolarHBondContact O-N 2.82Å; E72-K76 WeakPolarHBondContact OE1-CE 3.15Å; E72-K76 IonicContact OE1-NZ 2.71Å; E72-K76 PolarHBondContact OE1-NZ 3.23Å
73	L	96.9	Very high	93.7	Very high	30 Å²	30	48.1 Å²	48.1	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-45.4	176.2	-177.5	64.8	0	0	0	111.4	L62 W65 E69 L70 Y71 V75 K76 D77 F81	L62-L73 HydrophobicContact CD1-CD2 4.49Å; L62-L73 HydrophobicContact CD2-CD2 3.47Å; L62-L73 VanDerWaalsContact CD2-CD2 3.47Å; W65-L73 HydrophobicContact CE3-CD2 4.48Å; W65-L73 HydrophobicContact CH2-CD2 4.3Å; W65-L73 HydrophobicContact CZ3-CB 4.24Å; W65-L73 HydrophobicContact CZ3-CD2 3.93Å; E69-L73 WeakPolarHBondContact O-CB 3.28Å; E69-L73 PolarHBondContact O-N 2.85Å; L70-L73 PolarHBondContact O-N 3.11Å; Y71-L73 VanDerWaalsContact C-N 3.35Å; Y71-L73 PolarHBondContact O-N 3.14Å; L73-V75 PolarHBondContact O-N 2.85Å; L73-K76 PolarHBondContact O-N 3.35Å; L73-D77 HydrophobicContact CD1-CB 4.03Å; L73-D77 CarbonylContact O-C 3.58Å; L73-D77 WeakPolarHBondContact O-CA 3.29Å; L73-D77 PolarHBondContact O-N 3.47Å; L73-D77 VanDerWaalsContact O-O 3.14Å; L73-F81 HydrophobicContact CB-CD2 4.39Å; L73-F81 HydrophobicContact CD2-CD2 4.08Å; L73-F81 HydrophobicContact CG-CB 4.21Å; L73-F81 HydrophobicContact CG-CD2 4.18Å
74	S	97.4	Very high	94.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-22.8	-179.4	75.9	0	0	0	0	114.3	L70 Y71 E72 F483 G484	L70-S74 VanDerWaalsContact O-CB 3.28Å; L70-S74 WeakPolarHBondContact O-CB 3.29Å; L70-S74 PolarHBondContact O-N 2.91Å; L70-S74 PolarHBondContact O-OG 2.94Å; Y71-S74 WeakPolarHBondContact CA-OG 3.42Å; Y71-S74 PolarHBondContact O-N 2.83Å; Y71-S74 VanDerWaalsContact O-N 3.17Å; Y71-S74 PolarHBondContact O-OG 2.82Å; E72-S74 PolarHBondContact O-N 3.14Å; S74-F483 WeakPolarHBondContact OG-CA 3.36Å; S74-G484 PolarHBondContact OG-N 2.82Å
75	V	97.3	Very high	95.4	Very high	24 Å²	24	45.5 Å²	45.5	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-94.5	-44.3	177.8	175.4	0	0	0	0	111.8	Y71 E72 L73 Q486 Q510	Y71-V75 HydrophobicContact CD2-CG2 4.36Å; Y71-V75 HydrophobicContact CE1-CG2 4.31Å; Y71-V75 HydrophobicContact CE2-CG2 3.86Å; Y71-V75 WeakPolarHBondContact O-CG2 3.44Å; Y71-V75 PolarHBondContact O-N 3.02Å; Y71-V75 VanDerWaalsContact O-N 3.09Å; E72-V75 PolarHBondContact O-N 2.88Å; L73-V75 PolarHBondContact O-N 2.85Å; V75-Q486 HydrophobicContact CG1-CB 4.34Å; V75-Q486 HydrophobicContact CG1-CG 4.23Å; V75-Q510 PolarHBondContact O-OE1 3.15Å
76	K	97.8	Very high	96	Very high	156 Å²	156	40.9 Å²	40.9	68%	0.678	21%	0.207	S	C	*	.	H	α-helix	trans	-82	-34.7	-175.5	-67.6	-173.5	178.7	178.3	0	113.6	E72 L73	E72-K76 HydrophobicContact CG-CD 3.74Å; E72-K76 HydrophobicContact CG-CG 4.28Å; E72-K76 WeakPolarHBondContact O-CB 3.49Å; E72-K76 WeakPolarHBondContact O-CG 3.19Å; E72-K76 PolarHBondContact O-N 2.82Å; E72-K76 WeakPolarHBondContact OE1-CE 3.15Å; E72-K76 IonicContact OE1-NZ 2.71Å; E72-K76 PolarHBondContact OE1-NZ 3.23Å; L73-K76 PolarHBondContact O-N 3.35Å
77	D	97.4	Very high	96.2	Very high	61 Å²	61	46 Å²	46	33%	0.326	23%	0.226	S	C	.	.			trans	-136.1	71.5	177.9	-173.9	-1.8	0	0	0	110.6	L73 E79 T80 F81	L73-D77 HydrophobicContact CD1-CB 4.03Å; L73-D77 CarbonylContact O-C 3.58Å; L73-D77 WeakPolarHBondContact O-CA 3.29Å; L73-D77 PolarHBondContact O-N 3.47Å; L73-D77 VanDerWaalsContact O-O 3.14Å; D77-E79 PolarHBondContact O-N 3.23Å; D77-E79 PolarHBondContact OD1-N 3.28Å; D77-T80 VanDerWaalsContact CG-CB 3.46Å; D77-T80 VanDerWaalsContact CG-OG1 3.22Å; D77-T80 PolarHBondContact O-N 2.65Å; D77-T80 PolarHBondContact OD1-N 2.83Å; D77-T80 VanDerWaalsContact OD1-N 3.07Å; D77-T80 PolarHBondContact OD1-OG1 3.1Å; D77-T80 WeakPolarHBondContact OD2-CB 3.38Å; D77-T80 PolarHBondContact OD2-OG1 2.79Å; D77-F81 PolarHBondContact O-N 3.04Å; D77-F81 VanDerWaalsContact O-N 3.13Å
78	P	96.5	Very high	96.2	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.078	24%	0.244	C	C	.	.	H	α-helix	trans	-63.1	-26.1	-179.5	24.6	-33.7	0	0	0	112.7	W82 W111	P78-W82 VanDerWaalsContact O-CB 3.28Å; P78-W82 WeakPolarHBondContact O-CB 3.43Å; P78-W82 PolarHBondContact O-N 3.07Å; P78-W111 HydrophobicContact CB-CH2 4.36Å
79	E	96.6	Very high	96.2	Very high	95 Å²	95	48 Å²	48	44%	0.444	23%	0.229	S	C	.	.	H	α-helix	trans	-69.6	-46.8	-179.5	-66.8	-163.3	119.9	0	0	111.4	D77 G83 V99	D77-E79 PolarHBondContact O-N 3.23Å; D77-E79 PolarHBondContact OD1-N 3.28Å; E79-G83 VanDerWaalsContact O-CA 3.27Å; E79-G83 WeakPolarHBondContact O-CA 3.24Å; E79-G83 PolarHBondContact O-N 3.04Å; E79-V99 HydrophobicContact CB-CB 4.26Å; E79-V99 HydrophobicContact CB-CG1 4.43Å; E79-V99 HydrophobicContact CG-CB 4.28Å
80	T	95.6	Very high	96.4	Very high	68 Å²	68	43.7 Å²	43.7	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-63.7	-45.9	174.6	-64	0	0	0	0	111.2	D77 S84	D77-T80 VanDerWaalsContact CG-CB 3.46Å; D77-T80 VanDerWaalsContact CG-OG1 3.22Å; D77-T80 PolarHBondContact O-N 2.65Å; D77-T80 PolarHBondContact OD1-N 2.83Å; D77-T80 VanDerWaalsContact OD1-N 3.07Å; D77-T80 PolarHBondContact OD1-OG1 3.1Å; D77-T80 WeakPolarHBondContact OD2-CB 3.38Å; D77-T80 PolarHBondContact OD2-OG1 2.79Å; T80-S84 VanDerWaalsContact O-CB 3.3Å; T80-S84 WeakPolarHBondContact O-CB 3.45Å; T80-S84 PolarHBondContact O-N 3.27Å; T80-S84 VanDerWaalsContact O-N 3.14Å; T80-S84 PolarHBondContact O-OG 3.43Å
81	F	97.1	Very high	96.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-64.7	-179.3	-175	-96.4	0	0	0	111.5	L58 L62 L70 L73 D77 G83 S84 I85 F483	L58-F81 HydrophobicContact CD2-CE2 4.15Å; L58-F81 HydrophobicContact CD2-CZ 3.74Å; L62-F81 HydrophobicContact CD1-CD2 3.99Å; L62-F81 HydrophobicContact CD1-CE2 4.17Å; L70-F81 HydrophobicContact CB-CE2 4.28Å; L70-F81 HydrophobicContact CD2-CE2 4.08Å; L73-F81 HydrophobicContact CB-CD2 4.39Å; L73-F81 HydrophobicContact CD2-CD2 4.08Å; L73-F81 HydrophobicContact CG-CB 4.21Å; L73-F81 HydrophobicContact CG-CD2 4.18Å; D77-F81 PolarHBondContact O-N 3.04Å; D77-F81 VanDerWaalsContact O-N 3.13Å; F81-G83 PolarHBondContact O-N 3.22Å; F81-S84 PolarHBondContact O-N 2.94Å; F81-I85 HydrophobicContact CD1-CD1 3.59Å; F81-I85 HydrophobicContact CD2-CD1 4.13Å; F81-I85 HydrophobicContact CE1-CD1 3.33Å; F81-I85 HydrophobicContact CE2-CD1 3.92Å; F81-I85 HydrophobicContact CG-CD1 3.98Å; F81-I85 HydrophobicContact CZ-CD1 3.51Å; F81-I85 WeakPolarHBondContact O-CD1 3.2Å; F81-I85 VanDerWaalsContact O-CG1 3.23Å; F81-I85 WeakPolarHBondContact O-CG1 3.45Å; F81-I85 PolarHBondContact O-N 3.48Å; F81-F483 HydrophobicContact CE1-CB 3.71Å; F81-F483 HydrophobicContact CE1-CG 4.3Å; F81-F483 HydrophobicContact CZ-CB 3.59Å; F81-F483 HydrophobicContact CZ-CD1 4.29Å; F81-F483 AromaticContact CZ-CD2 3.95Å; F81-F483 HydrophobicContact CZ-CD2 3.95Å; F81-F483 AromaticContact CZ-CG 3.68Å; F81-F483 HydrophobicContact CZ-CG 3.68Å
82	W	97.8	Very high	96.6	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-35.4	-174.7	-67.1	112.4	0	0	0	112.1	P78 I85 A86 V99 W111 F112 L322 Y323 L326 F483 P513	P78-W82 VanDerWaalsContact O-CB 3.28Å; P78-W82 WeakPolarHBondContact O-CB 3.43Å; P78-W82 PolarHBondContact O-N 3.07Å; W82-I85 PolarHBondContact O-N 3.49Å; W82-A86 WeakPolarHBondContact O-CB 3.11Å; W82-A86 PolarHBondContact O-N 2.85Å; W82-V99 HydrophobicContact CB-CG1 4.26Å; W82-W111 HydrophobicContact CB-CE3 4.45Å; W82-W111 HydrophobicContact CB-CZ3 3.87Å; W82-W111 AromaticContact CD1-CH2 3.63Å; W82-W111 AromaticContact CD1-CZ3 3.58Å; W82-W111 HydrophobicContact CG-CH2 4.28Å; W82-W111 AromaticContact CG-CZ3 3.84Å; W82-W111 HydrophobicContact CG-CZ3 3.84Å; W82-F112 HydrophobicContact CB-CE1 4.3Å; W82-F112 HydrophobicContact CB-CZ 4.23Å; W82-L322 HydrophobicContact CE3-CD2 3.86Å; W82-L322 HydrophobicContact CZ3-CD2 4.26Å; W82-Y323 AromaticContact CH2-CD2 3.71Å; W82-Y323 HydrophobicContact CH2-CD2 3.71Å; W82-Y323 HydrophobicContact CH2-CE2 4.01Å; W82-Y323 HydrophobicContact CZ2-CD2 4.44Å; W82-Y323 HydrophobicContact CZ2-CE2 4.47Å; W82-Y323 HydrophobicContact CZ3-CD2 4.34Å; W82-L326 HydrophobicContact CE3-CD1 4.28Å; W82-L326 HydrophobicContact CH2-CD1 4.12Å; W82-L326 HydrophobicContact CZ3-CD1 3.44Å; W82-L326 VanDerWaalsContact CZ3-CD1 3.44Å; W82-F483 HydrophobicContact CZ2-CB 4.5Å; W82-F483 WeakPolarHBondContact CZ2-O 3.46Å; W82-P513 HydrophobicContact CB-CG 4.46Å; W82-P513 HydrophobicContact CD2-CG 3.48Å; W82-P513 VanDerWaalsContact CD2-CG 3.48Å; W82-P513 HydrophobicContact CE3-CG 3.65Å; W82-P513 HydrophobicContact CG-CG 3.84Å; W82-P513 HydrophobicContact CH2-CG 4.32Å; W82-P513 HydrophobicContact CZ2-CG 4.19Å; W82-P513 HydrophobicContact CZ3-CG 4.03Å
83	G	97.5	Very high	96.6	Very high	4 Å²	4	46 Å²	46	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-63.1	-42.5	178.6	0	0	0	0	0	112.8	E79 F81 K87	E79-G83 VanDerWaalsContact O-CA 3.27Å; E79-G83 WeakPolarHBondContact O-CA 3.24Å; E79-G83 PolarHBondContact O-N 3.04Å; F81-G83 PolarHBondContact O-N 3.22Å; G83-K87 WeakPolarHBondContact O-CD 3.28Å; G83-K87 VanDerWaalsContact O-CG 3.28Å; G83-K87 WeakPolarHBondContact O-CG 3.17Å; G83-K87 PolarHBondContact O-N 3.21Å
84	S	94.9	Very high	96.7	Very high	26 Å²	26	48.5 Å²	48.5	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-46.6	178.1	-58.8	0	0	0	0	111.3	T80 F81 K87 E88	T80-S84 VanDerWaalsContact O-CB 3.3Å; T80-S84 WeakPolarHBondContact O-CB 3.45Å; T80-S84 PolarHBondContact O-N 3.27Å; T80-S84 VanDerWaalsContact O-N 3.14Å; T80-S84 PolarHBondContact O-OG 3.43Å; F81-S84 PolarHBondContact O-N 2.94Å; S84-K87 PolarHBondContact O-N 3.4Å; S84-E88 PolarHBondContact O-N 3.08Å
85	I	95.7	Very high	96.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-44.4	-177.5	-60.1	159	0	0	0	111	L58 L62 F81 W82 K87 E88 R89 L322 L326	L58-I85 HydrophobicContact CD2-CD1 3.22Å; L58-I85 HydrophobicContact CD2-CG1 3.76Å; L62-I85 HydrophobicContact CD1-CD1 4.3Å; L62-I85 HydrophobicContact CD1-CG1 4.16Å; F81-I85 HydrophobicContact CD1-CD1 3.59Å; F81-I85 HydrophobicContact CD2-CD1 4.13Å; F81-I85 HydrophobicContact CE1-CD1 3.33Å; F81-I85 HydrophobicContact CE2-CD1 3.92Å; F81-I85 HydrophobicContact CG-CD1 3.98Å; F81-I85 HydrophobicContact CZ-CD1 3.51Å; F81-I85 WeakPolarHBondContact O-CD1 3.2Å; F81-I85 VanDerWaalsContact O-CG1 3.23Å; F81-I85 WeakPolarHBondContact O-CG1 3.45Å; F81-I85 PolarHBondContact O-N 3.48Å; W82-I85 PolarHBondContact O-N 3.49Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 2.71Å; I85-E88 PolarHBondContact O-N 3.47Å; I85-R89 HydrophobicContact CG2-CG 4.03Å; I85-R89 VanDerWaalsContact O-CB 3.31Å; I85-R89 WeakPolarHBondContact O-CB 3.4Å; I85-R89 WeakPolarHBondContact O-CG 3.1Å; I85-R89 PolarHBondContact O-N 3.4Å; I85-L322 HydrophobicContact CG2-CD1 3.84Å; I85-L326 HydrophobicContact CD1-CD1 4.42Å; I85-L326 HydrophobicContact CG2-CD1 3.89Å; I85-L326 HydrophobicContact CG2-CD2 4Å; I85-L326 HydrophobicContact CG2-CG 4.39Å
86	A	97.4	Very high	96.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-39.3	-180	0	0	0	0	0	112.5	W82 L90 W92 F96 F112 L322	W82-A86 WeakPolarHBondContact O-CB 3.11Å; W82-A86 PolarHBondContact O-N 2.85Å; A86-L90 PolarHBondContact O-N 3.04Å; A86-W92 HydrophobicContact CB-CZ2 4.2Å; A86-W92 PolarHBondContact O-NE1 2.86Å; A86-F96 HydrophobicContact CB-CE1 3.74Å; A86-F96 HydrophobicContact CB-CZ 4.09Å; A86-F112 HydrophobicContact CB-CD1 3.8Å; A86-F112 HydrophobicContact CB-CE1 3.33Å; A86-F112 HydrophobicContact CB-CE2 4.39Å; A86-F112 HydrophobicContact CB-CZ 3.68Å; A86-L322 HydrophobicContact CB-CD2 3.8Å
87	K	95.5	Very high	96.7	Very high	135 Å²	135	50.8 Å²	50.8	59%	0.587	26%	0.261	S	S	*	.	H	α-helix	trans	-65.4	-39.4	177.6	-76.4	171.5	-177.2	177.2	0	112.8	G83 S84 I85 F96	G83-K87 WeakPolarHBondContact O-CD 3.28Å; G83-K87 VanDerWaalsContact O-CG 3.28Å; G83-K87 WeakPolarHBondContact O-CG 3.17Å; G83-K87 PolarHBondContact O-N 3.21Å; S84-K87 PolarHBondContact O-N 3.4Å; I85-K87 VanDerWaalsContact C-N 3.31Å; I85-K87 PolarHBondContact O-N 2.71Å; K87-F96 HydrophobicContact CD-CZ 4.18Å; K87-F96 HydrophobicContact CG-CE1 3.79Å; K87-F96 HydrophobicContact CG-CZ 3.61Å
88	E	92.6	Very high	96.8	Very high	88 Å²	88	52 Å²	52	41%	0.411	26%	0.264	S	S	.	.	H	α-helix	trans	-86.2	-33.3	-175.4	-69.5	-172	-162.1	0	0	113.6	S59 S60 S84 I85	S59-E88 WeakPolarHBondContact CA-OE2 3.43Å; S59-E88 VanDerWaalsContact CB-OE2 3.26Å; S59-E88 WeakPolarHBondContact CB-OE2 3.36Å; S60-E88 PolarHBondContact N-OE1 2.86Å; S60-E88 PolarHBondContact N-OE2 3.5Å; S60-E88 PolarHBondContact OG-OE1 2.73Å; S84-E88 PolarHBondContact O-N 3.08Å; I85-E88 PolarHBondContact O-N 3.47Å
89	R	93.4	Very high	96.8	Very high	60 Å²	60	52.3 Å²	52.3	23%	0.226	27%	0.266	C	S	.	.	H	α-helix	trans	-91.1	-36	-171.9	-70.3	-166.1	164.9	-117.3	-1.1	114.6	H57 L58 I85 L322 Y330	H57-R89 PolarHBondContact O-NH2 3.19Å; L58-R89 PolarHBondContact O-NE 3.27Å; I85-R89 HydrophobicContact CG2-CG 4.03Å; I85-R89 VanDerWaalsContact O-CB 3.31Å; I85-R89 WeakPolarHBondContact O-CB 3.4Å; I85-R89 WeakPolarHBondContact O-CG 3.1Å; I85-R89 PolarHBondContact O-N 3.4Å; R89-L322 HydrophobicContact CB-CD1 4.21Å; R89-Y330 PolarHBondContact NH2-OH 3.29Å
90	L	97.6	Very high	96.9	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.257	C	S	.	.	S	Bend	trans	-96.9	142.4	-179.6	-60.1	-173.5	0	0	0	110.3	A86 W92 L117 N122 A318 L321 L322	A86-L90 PolarHBondContact O-N 3.04Å; L90-W92 HydrophobicContact CB-CZ2 4.32Å; L90-W92 HydrophobicContact CD1-CZ2 4.12Å; L90-W92 PolarHBondContact O-NE1 3.33Å; L90-L117 HydrophobicContact CD1-CD1 4.04Å; L90-N122 WeakPolarHBondContact CA-OD1 3.49Å; L90-A318 HydrophobicContact CD1-CB 4.45Å; L90-L321 HydrophobicContact CD2-CD2 3.9Å; L90-L321 HydrophobicContact CD2-CG 4.21Å; L90-L322 HydrophobicContact CD1-CB 4.03Å; L90-L322 HydrophobicContact CG-CD1 4.33Å
91	T	98.1	Very high	97	Very high	70 Å²	70	50 Å²	50	43%	0.429	25%	0.25	S	C	.	.			trans	-84.6	120.3	168	-60.8	0	0	0	0	109	N122 V126	T91-N122 PolarHBondContact N-OD1 2.82Å; T91-N122 PolarHBondContact O-ND2 3.34Å; T91-V126 HydrophobicContact CG2-CG1 4.47Å; T91-V126 WeakPolarHBondContact OG1-CG1 3.46Å
92	W	98.5	Very high	97	Very high	39 Å²	39	51.5 Å²	51.5	15%	0.148	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.3	-179.4	-60.7	85.6	0	0	0	110.2	A86 L90 F96 F112 Q116 L117 A318	A86-W92 HydrophobicContact CB-CZ2 4.2Å; A86-W92 PolarHBondContact O-NE1 2.86Å; L90-W92 HydrophobicContact CB-CZ2 4.32Å; L90-W92 HydrophobicContact CD1-CZ2 4.12Å; L90-W92 PolarHBondContact O-NE1 3.33Å; W92-F96 HydrophobicContact CD2-CD1 4.3Å; W92-F96 AromaticContact CE2-CD1 3.86Å; W92-F96 HydrophobicContact CE3-CD1 4.37Å; W92-F96 AromaticContact CH2-CD1 3.66Å; W92-F96 HydrophobicContact CH2-CD1 3.66Å; W92-F96 HydrophobicContact CH2-CE1 4.3Å; W92-F96 AromaticContact CZ2-CD1 3.56Å; W92-F96 HydrophobicContact CZ2-CD1 3.56Å; W92-F96 AromaticContact CZ2-CE1 3.79Å; W92-F96 HydrophobicContact CZ2-CE1 3.79Å; W92-F96 HydrophobicContact CZ3-CB 4.5Å; W92-F96 HydrophobicContact CZ3-CD1 4.07Å; W92-F112 HydrophobicContact CH2-CB 3.56Å; W92-F112 HydrophobicContact CH2-CD2 4.31Å; W92-F112 AromaticContact CH2-CG 3.96Å; W92-F112 HydrophobicContact CH2-CG 3.96Å; W92-F112 HydrophobicContact CZ2-CB 4.4Å; W92-F112 HydrophobicContact CZ2-CG 4.43Å; W92-F112 HydrophobicContact CZ3-CB 4.22Å; W92-Q116 CarbonylContact C-O 3.52Å; W92-Q116 WeakPolarHBondContact CA-O 3.46Å; W92-L117 HydrophobicContact CE3-CB 4.17Å; W92-L117 HydrophobicContact CE3-CD2 4.39Å; W92-L117 HydrophobicContact CZ3-CD2 3.96Å; W92-A318 HydrophobicContact CH2-CB 3.57Å; W92-A318 HydrophobicContact CZ2-CB 4.4Å; W92-A318 HydrophobicContact CZ3-CB 4.18Å
93	N	97.6	Very high	96.9	Very high	89 Å²	89	56.5 Å²	56.5	48%	0.476	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-40.7	164.3	-63.5	92.8	0	0	0	110.5	Q116 L117	N93-Q116 HydrophobicContact CB-CB 4.31Å; N93-Q116 PolarHBondContact N-O 3.41Å; N93-L117 VanDerWaalsContact OD1-CA 3.29Å; N93-L117 WeakPolarHBondContact OD1-CA 3.31Å
94	K	98.3	Very high	96.6	Very high	84 Å²	84	57.4 Å²	57.4	37%	0.365	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	125.7	171.6	-173.7	-165.3	161.8	-144.9	0	108.1	D97 G114 G115 Q116	K94-D97 IonicContact NZ-OD2 3.28Å; K94-D97 PolarHBondContact NZ-OD2 3.48Å; K94-G114 WeakPolarHBondContact CD-O 3.27Å; K94-G114 PolarHBondContact NZ-O 3.14Å; K94-G115 CarbonylContact O-C 3.58Å; K94-G115 WeakPolarHBondContact O-CA 3.27Å; K94-Q116 HydrophobicContact CB-CB 3.98Å; K94-Q116 HydrophobicContact CB-CG 4.31Å; K94-Q116 PolarHBondContact N-O 3.02Å; K94-Q116 PolarHBondContact O-N 3.29Å
95	P	97.1	Very high	96.4	Very high	89 Å²	89	60.2 Å²	60.2	58%	0.578	30%	0.302	S	S	*	.			trans	-56.4	152.1	172.8	-24.1	34.2	0	0	0	112.1
96	F	98.4	Very high	96.3	Very high	16 Å²	16	62.2 Å²	62.2	7%	0.07	32%	0.317	C	S	.	.			trans	-78.9	150.7	175.2	58.3	-95.9	0	0	0	112.5	A86 K87 W92 V99 F112 L113	A86-F96 HydrophobicContact CB-CE1 3.74Å; A86-F96 HydrophobicContact CB-CZ 4.09Å; K87-F96 HydrophobicContact CD-CZ 4.18Å; K87-F96 HydrophobicContact CG-CE1 3.79Å; K87-F96 HydrophobicContact CG-CZ 3.61Å; W92-F96 HydrophobicContact CD2-CD1 4.3Å; W92-F96 AromaticContact CE2-CD1 3.86Å; W92-F96 HydrophobicContact CE3-CD1 4.37Å; W92-F96 AromaticContact CH2-CD1 3.66Å; W92-F96 HydrophobicContact CH2-CD1 3.66Å; W92-F96 HydrophobicContact CH2-CE1 4.3Å; W92-F96 AromaticContact CZ2-CD1 3.56Å; W92-F96 HydrophobicContact CZ2-CD1 3.56Å; W92-F96 AromaticContact CZ2-CE1 3.79Å; W92-F96 HydrophobicContact CZ2-CE1 3.79Å; W92-F96 HydrophobicContact CZ3-CB 4.5Å; W92-F96 HydrophobicContact CZ3-CD1 4.07Å; F96-V99 HydrophobicContact CD2-CG2 4.4Å; F96-V99 HydrophobicContact CE2-CG2 3.65Å; F96-V99 HydrophobicContact CZ-CG2 4.43Å; F96-F112 VanDerWaalsContact CB-C 3.46Å; F96-F112 HydrophobicContact CB-CB 3.86Å; F96-F112 WeakPolarHBondContact CB-O 3.19Å; F96-F112 HydrophobicContact CD1-CB 3.82Å; F96-F112 AromaticContact CD1-CD1 3.98Å; F96-F112 HydrophobicContact CD1-CD1 3.98Å; F96-F112 HydrophobicContact CD1-CG 4.24Å; F96-F112 HydrophobicContact CD2-CB 4.47Å; F96-F112 HydrophobicContact CD2-CD1 4.32Å; F96-F112 HydrophobicContact CE1-CB 4.48Å; F96-F112 AromaticContact CE1-CD1 3.79Å; F96-F112 HydrophobicContact CE1-CD1 3.79Å; F96-F112 HydrophobicContact CE1-CG 4.43Å; F96-F112 HydrophobicContact CE2-CD1 4.17Å; F96-F112 HydrophobicContact CG-CB 3.8Å; F96-F112 HydrophobicContact CG-CD1 4.22Å; F96-F112 HydrophobicContact CG-CG 4.48Å; F96-F112 AromaticContact CZ-CD1 3.87Å; F96-F112 HydrophobicContact CZ-CD1 3.87Å; F96-F112 HydrophobicContact CZ-CE1 4.42Å; F96-L113 WeakPolarHBondContact CB-O 3.46Å
97	D	97.6	Very high	96.1	Very high	123 Å²	123	62.2 Å²	62.2	66%	0.658	32%	0.317	S	S	*	.	S	Bend	trans	-94.7	-31.3	-177.1	-58.2	-50.8	0	0	0	110.8	K94 L113 G114	K94-D97 IonicContact NZ-OD2 3.28Å; K94-D97 PolarHBondContact NZ-OD2 3.48Å; D97-L113 PolarHBondContact N-O 3.36Å; D97-G114 WeakPolarHBondContact OD2-CA 3.48Å
98	Q	98	Very high	96.2	Very high	86 Å²	86	59.8 Å²	59.8	40%	0.402	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	133	-178	177.4	177.9	8.8	0	0	111.1	R100 F112 L113	Q98-R100 WeakPolarHBondContact CG-O 3.44Å; Q98-R100 PolarHBondContact NE2-O 3.21Å; Q98-F112 CarbonylContact O-C 3.45Å; Q98-F112 VanDerWaalsContact O-C 3.28Å; Q98-F112 WeakPolarHBondContact O-CA 3.46Å; Q98-F112 PolarHBondContact O-N 2.78Å; Q98-L113 HydrophobicContact CB-CB 4.29Å; Q98-L113 PolarHBondContact N-O 2.89Å; Q98-L113 PolarHBondContact O-N 3.07Å
99	V	98.3	Very high	96.4	Very high	19 Å²	19	55.8 Å²	55.8	12%	0.115	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-43.2	-177.4	179	0	0	0	0	111.6	E79 W82 F96 W111 F112	E79-V99 HydrophobicContact CB-CB 4.26Å; E79-V99 HydrophobicContact CB-CG1 4.43Å; E79-V99 HydrophobicContact CG-CB 4.28Å; W82-V99 HydrophobicContact CB-CG1 4.26Å; F96-V99 HydrophobicContact CD2-CG2 4.4Å; F96-V99 HydrophobicContact CE2-CG2 3.65Å; F96-V99 HydrophobicContact CZ-CG2 4.43Å; V99-W111 HydrophobicContact CG1-CE3 4.16Å; V99-W111 HydrophobicContact CG1-CZ3 4.11Å; V99-W111 CarbonylContact O-C 3.58Å; V99-W111 VanDerWaalsContact O-CA 3.29Å; V99-W111 WeakPolarHBondContact O-CA 3.3Å; V99-F112 HydrophobicContact CG1-CD1 4.36Å; V99-F112 HydrophobicContact CG1-CE1 4.03Å; V99-F112 PolarHBondContact O-N 3.44Å
100	R	97.1	Very high	96.7	Very high	66 Å²	66	54.7 Å²	54.7	25%	0.249	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	140.8	-175.4	-166.6	-179.9	79	175.6	-0	112.3	Q98 C102 N110 W111	Q98-R100 WeakPolarHBondContact CG-O 3.44Å; Q98-R100 PolarHBondContact NE2-O 3.21Å; R100-C102 HydrophobicContact CG-CB 3.92Å; R100-C102 WeakPolarHBondContact CG-SG 3.48Å; R100-N110 WeakPolarHBondContact CA-O 3.44Å; R100-W111 HydrophobicContact CB-CD2 4.43Å; R100-W111 HydrophobicContact CB-CE3 4.05Å; R100-W111 HydrophobicContact CB-CH2 4.43Å; R100-W111 HydrophobicContact CB-CZ3 4.06Å; R100-W111 VanDerWaalsContact CD-CH2 3.46Å; R100-W111 VanDerWaalsContact CD-CZ2 3.45Å; R100-W111 HydrophobicContact CG-CD2 4.08Å; R100-W111 HydrophobicContact CG-CE3 4.14Å; R100-W111 HydrophobicContact CG-CH2 4.06Å; R100-W111 HydrophobicContact CG-CZ2 3.96Å; R100-W111 HydrophobicContact CG-CZ3 4.13Å
101	D	97.6	Very high	96.7	Very high	49 Å²	49	54.3 Å²	54.3	26%	0.262	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	83.8	166.2	171.3	26.4	0	0	0	107.4	K108 N110 L113	D101-K108 IonicContact OD1-NZ 3.88Å; D101-K108 PolarHBondContact OD1-NZ 3.03Å; D101-K108 WeakPolarHBondContact OD2-CE 3.4Å; D101-K108 IonicContact OD2-NZ 2.7Å; D101-K108 PolarHBondContact OD2-NZ 2.83Å; D101-N110 HydrophobicContact CB-CB 4.2Å; D101-N110 PolarHBondContact N-O 3.18Å; D101-N110 WeakPolarHBondContact O-CB 3.22Å; D101-N110 PolarHBondContact O-N 3.43Å; D101-N110 VanDerWaalsContact O-N 3.16Å; D101-L113 HydrophobicContact CB-CD1 3.56Å
102	C	97.1	Very high	96.7	Very high	30 Å²	30	51 Å²	51	20%	0.203	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.4	-174	-63.6	0	0	0	0	112.2	R100 K108 I109 N110 P511	R100-C102 HydrophobicContact CG-CB 3.92Å; R100-C102 WeakPolarHBondContact CG-SG 3.48Å; C102-K108 CarbonylContact C-O 3.25Å; C102-K108 WeakPolarHBondContact CA-O 3.39Å; C102-I109 HydrophobicContact CB-CD1 4.32Å; C102-N110 PolarHBondContact SG-N 3.48Å; C102-N110 VanDerWaalsContact SG-N 3.39Å; C102-N110 PolarHBondContact SG-O 2.62Å; C102-N110 VanDerWaalsContact SG-O 3.39Å; C102-P511 HydrophobicContact CB-CB 4.09Å; C102-P511 HydrophobicContact CB-CG 3.77Å
103	E	95.7	Very high	96.7	Very high	107 Å²	107	51.3 Å²	51.3	50%	0.5	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	103.7	170.4	-176.7	-170.7	-164.3	0	0	108.4	T105 S106 G107 K108	E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 2.91Å; E103-S106 WeakPolarHBondContact CB-OG 3.31Å; E103-S106 WeakPolarHBondContact CG-OG 3.38Å; E103-S106 PolarHBondContact O-N 3.39Å; E103-S106 PolarHBondContact O-OG 3.2Å; E103-S106 WeakPolarHBondContact OE2-CB 3.24Å; E103-S106 PolarHBondContact OE2-OG 3.2Å; E103-G107 PolarHBondContact O-N 3.45Å; E103-K108 HydrophobicContact CB-CB 4.31Å; E103-K108 PolarHBondContact N-O 2.9Å; E103-K108 PolarHBondContact O-N 2.76Å; E103-K108 VanDerWaalsContact O-N 3.16Å
104	I	92.6	Very high	96.8	Very high	23 Å²	23	48.7 Å²	48.7	12%	0.118	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-35.9	-171.3	-164.1	161.1	0	0	0	112.7	S106 G107 P511 F531 G536	I104-S106 VanDerWaalsContact C-N 3.35Å; I104-S106 PolarHBondContact O-N 2.98Å; I104-G107 PolarHBondContact O-N 2.71Å; I104-P511 HydrophobicContact CB-CG 4.28Å; I104-P511 HydrophobicContact CD1-CG 4.39Å; I104-F531 HydrophobicContact CD1-CE1 4.49Å; I104-F531 HydrophobicContact CG1-CD1 3.62Å; I104-F531 HydrophobicContact CG1-CE1 3.66Å; I104-F531 WeakPolarHBondContact O-CD1 3.49Å; I104-F531 WeakPolarHBondContact O-CG 3.45Å; I104-G536 WeakPolarHBondContact CG2-O 3.07Å
105	T	90.4	Very high	96.8	Very high	84 Å²	84	44.7 Å²	44.7	52%	0.515	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-36.7	-177.6	-52.2	0	0	0	0	112.5	E103	E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 2.91Å
106	S	92.9	Very high	96.9	Very high	43 Å²	43	44.4 Å²	44.4	30%	0.301	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.7	177.9	63.7	0	0	0	0	112.8	E103 I104 K108 H523 V527	E103-S106 WeakPolarHBondContact CB-OG 3.31Å; E103-S106 WeakPolarHBondContact CG-OG 3.38Å; E103-S106 PolarHBondContact O-N 3.39Å; E103-S106 PolarHBondContact O-OG 3.2Å; E103-S106 WeakPolarHBondContact OE2-CB 3.24Å; E103-S106 PolarHBondContact OE2-OG 3.2Å; I104-S106 VanDerWaalsContact C-N 3.35Å; I104-S106 PolarHBondContact O-N 2.98Å; S106-K108 PolarHBondContact O-N 3.26Å; S106-K108 WeakPolarHBondContact OG-CB 3.21Å; S106-K108 PolarHBondContact OG-N 3.44Å; S106-H523 PolarHBondContact O-NE2 3.41Å; S106-H523 VanDerWaalsContact O-NE2 3.14Å; S106-V527 VanDerWaalsContact O-CG2 3.26Å; S106-V527 WeakPolarHBondContact O-CG2 3.48Å
107	G	93.9	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	11.7	-173.1	0	0	0	0	0	113.6	E103 I104 I109 H523	E103-G107 PolarHBondContact O-N 3.45Å; I104-G107 PolarHBondContact O-N 2.71Å; G107-I109 PolarHBondContact O-N 3.09Å; G107-H523 PolarHBondContact O-CE1 2.75Å
108	K	96.9	Very high	96.9	Very high	83 Å²	83	37.8 Å²	37.8	36%	0.361	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	105.4	175.7	-177.5	-170.3	177.6	-157.6	0	108.9	D101 C102 E103 S106	D101-K108 IonicContact OD1-NZ 3.88Å; D101-K108 PolarHBondContact OD1-NZ 3.03Å; D101-K108 WeakPolarHBondContact OD2-CE 3.4Å; D101-K108 IonicContact OD2-NZ 2.7Å; D101-K108 PolarHBondContact OD2-NZ 2.83Å; C102-K108 CarbonylContact C-O 3.25Å; C102-K108 WeakPolarHBondContact CA-O 3.39Å; E103-K108 HydrophobicContact CB-CB 4.31Å; E103-K108 PolarHBondContact N-O 2.9Å; E103-K108 PolarHBondContact O-N 2.76Å; E103-K108 VanDerWaalsContact O-N 3.16Å; S106-K108 PolarHBondContact O-N 3.26Å; S106-K108 WeakPolarHBondContact OG-CB 3.21Å; S106-K108 PolarHBondContact OG-N 3.44Å
109	I	97.7	Very high	97	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109	-178.2	-51.6	-53	0	0	0	109.2	C102 G107 P511 M515 R517	C102-I109 HydrophobicContact CB-CD1 4.32Å; G107-I109 PolarHBondContact O-N 3.09Å; I109-P511 HydrophobicContact CD1-CB 3.87Å; I109-P511 HydrophobicContact CD1-CG 3.73Å; I109-P511 HydrophobicContact CG2-CB 4.28Å; I109-M515 HydrophobicContact CD1-SD 4.43Å; I109-M515 HydrophobicContact CG1-SD 4.2Å; I109-R517 WeakPolarHBondContact O-CD 3.47Å; I109-R517 PolarHBondContact O-NE 3.16Å; I109-R517 VanDerWaalsContact O-NE 3.09Å
110	N	98.4	Very high	97	Very high	37 Å²	37	32.8 Å²	32.8	20%	0.198	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.6	176.7	-60.6	-43.1	0	0	0	111.7	R100 D101 C102 L113 E295	R100-N110 WeakPolarHBondContact CA-O 3.44Å; D101-N110 HydrophobicContact CB-CB 4.2Å; D101-N110 PolarHBondContact N-O 3.18Å; D101-N110 WeakPolarHBondContact O-CB 3.22Å; D101-N110 PolarHBondContact O-N 3.43Å; D101-N110 VanDerWaalsContact O-N 3.16Å; C102-N110 PolarHBondContact SG-N 3.48Å; C102-N110 VanDerWaalsContact SG-N 3.39Å; C102-N110 PolarHBondContact SG-O 2.62Å; C102-N110 VanDerWaalsContact SG-O 3.39Å; N110-L113 HydrophobicContact CB-CD1 4.05Å; N110-L113 HydrophobicContact CB-CD2 3.88Å; N110-L113 HydrophobicContact CB-CG 3.98Å; N110-E295 HydrophobicContact CB-CG 4.1Å
111	W	98.8	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142	178.8	-68.8	86.1	0	0	0	111.4	P78 W82 V99 R100 L113 S294 E295 P511 W512 P513	P78-W111 HydrophobicContact CB-CH2 4.36Å; W82-W111 HydrophobicContact CB-CE3 4.45Å; W82-W111 HydrophobicContact CB-CZ3 3.87Å; W82-W111 AromaticContact CD1-CH2 3.63Å; W82-W111 AromaticContact CD1-CZ3 3.58Å; W82-W111 HydrophobicContact CG-CH2 4.28Å; W82-W111 AromaticContact CG-CZ3 3.84Å; W82-W111 HydrophobicContact CG-CZ3 3.84Å; V99-W111 HydrophobicContact CG1-CE3 4.16Å; V99-W111 HydrophobicContact CG1-CZ3 4.11Å; V99-W111 CarbonylContact O-C 3.58Å; V99-W111 VanDerWaalsContact O-CA 3.29Å; V99-W111 WeakPolarHBondContact O-CA 3.3Å; R100-W111 HydrophobicContact CB-CD2 4.43Å; R100-W111 HydrophobicContact CB-CE3 4.05Å; R100-W111 HydrophobicContact CB-CH2 4.43Å; R100-W111 HydrophobicContact CB-CZ3 4.06Å; R100-W111 VanDerWaalsContact CD-CH2 3.46Å; R100-W111 VanDerWaalsContact CD-CZ2 3.45Å; R100-W111 HydrophobicContact CG-CD2 4.08Å; R100-W111 HydrophobicContact CG-CE3 4.14Å; R100-W111 HydrophobicContact CG-CH2 4.06Å; R100-W111 HydrophobicContact CG-CZ2 3.96Å; R100-W111 HydrophobicContact CG-CZ3 4.13Å; W111-L113 VanDerWaalsContact C-N 3.33Å; W111-L113 PolarHBondContact O-N 2.89Å; W111-S294 WeakPolarHBondContact O-CB 3.31Å; W111-S294 PolarHBondContact O-OG 3.24Å; W111-E295 WeakPolarHBondContact CA-OE1 3.26Å; W111-E295 PolarHBondContact N-OE1 3.27Å; W111-E295 VanDerWaalsContact O-OE1 3.1Å; W111-P511 WeakPolarHBondContact CZ2-O 3.1Å; W111-W512 PolarHBondContact NE1-O 3.18Å; W111-P513 HydrophobicContact CD2-CB 4.17Å; W111-P513 HydrophobicContact CD2-CG 3.87Å; W111-P513 HydrophobicContact CE3-CG 3.83Å; W111-P513 HydrophobicContact CG-CB 4.27Å; W111-P513 HydrophobicContact CG-CG 4.48Å; W111-P513 HydrophobicContact CH2-CG 4.13Å; W111-P513 HydrophobicContact CZ2-CG 4.19Å; W111-P513 HydrophobicContact CZ3-CG 3.97Å
112	F	98.8	Very high	97.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.8	40.7	174.9	-42.1	-63.2	0	0	0	113.7	W82 A86 W92 F96 Q98 V99 G115 S294 A318 L322 P513	W82-F112 HydrophobicContact CB-CE1 4.3Å; W82-F112 HydrophobicContact CB-CZ 4.23Å; A86-F112 HydrophobicContact CB-CD1 3.8Å; A86-F112 HydrophobicContact CB-CE1 3.33Å; A86-F112 HydrophobicContact CB-CE2 4.39Å; A86-F112 HydrophobicContact CB-CZ 3.68Å; W92-F112 HydrophobicContact CH2-CB 3.56Å; W92-F112 HydrophobicContact CH2-CD2 4.31Å; W92-F112 AromaticContact CH2-CG 3.96Å; W92-F112 HydrophobicContact CH2-CG 3.96Å; W92-F112 HydrophobicContact CZ2-CB 4.4Å; W92-F112 HydrophobicContact CZ2-CG 4.43Å; W92-F112 HydrophobicContact CZ3-CB 4.22Å; F96-F112 VanDerWaalsContact CB-C 3.46Å; F96-F112 HydrophobicContact CB-CB 3.86Å; F96-F112 WeakPolarHBondContact CB-O 3.19Å; F96-F112 HydrophobicContact CD1-CB 3.82Å; F96-F112 AromaticContact CD1-CD1 3.98Å; F96-F112 HydrophobicContact CD1-CD1 3.98Å; F96-F112 HydrophobicContact CD1-CG 4.24Å; F96-F112 HydrophobicContact CD2-CB 4.47Å; F96-F112 HydrophobicContact CD2-CD1 4.32Å; F96-F112 HydrophobicContact CE1-CB 4.48Å; F96-F112 AromaticContact CE1-CD1 3.79Å; F96-F112 HydrophobicContact CE1-CD1 3.79Å; F96-F112 HydrophobicContact CE1-CG 4.43Å; F96-F112 HydrophobicContact CE2-CD1 4.17Å; F96-F112 HydrophobicContact CG-CB 3.8Å; F96-F112 HydrophobicContact CG-CD1 4.22Å; F96-F112 HydrophobicContact CG-CG 4.48Å; F96-F112 AromaticContact CZ-CD1 3.87Å; F96-F112 HydrophobicContact CZ-CD1 3.87Å; F96-F112 HydrophobicContact CZ-CE1 4.42Å; Q98-F112 CarbonylContact O-C 3.45Å; Q98-F112 VanDerWaalsContact O-C 3.28Å; Q98-F112 WeakPolarHBondContact O-CA 3.46Å; Q98-F112 PolarHBondContact O-N 2.78Å; V99-F112 HydrophobicContact CG1-CD1 4.36Å; V99-F112 HydrophobicContact CG1-CE1 4.03Å; V99-F112 PolarHBondContact O-N 3.44Å; F112-G115 PolarHBondContact O-N 3.26Å; F112-G115 VanDerWaalsContact O-N 3.14Å; F112-S294 VanDerWaalsContact O-CB 3.29Å; F112-S294 WeakPolarHBondContact O-CB 3.16Å; F112-S294 PolarHBondContact O-OG 3.02Å; F112-A318 HydrophobicContact CD2-CB 3.8Å; F112-L322 HydrophobicContact CE2-CD2 4.05Å; F112-L322 HydrophobicContact CZ-CD2 3.65Å; F112-P513 HydrophobicContact CE2-CB 4.22Å; F112-P513 HydrophobicContact CZ-CB 4.49Å; F112-P513 HydrophobicContact CZ-CG 4.37Å
113	L	98.6	Very high	97.2	Very high	45 Å²	45	27 Å²	27	24%	0.236	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	143.6	-178.2	-72.6	179.2	0	0	0	112.1	F96 D97 Q98 D101 N110 W111 G115 E295	F96-L113 WeakPolarHBondContact CB-O 3.46Å; D97-L113 PolarHBondContact N-O 3.36Å; Q98-L113 HydrophobicContact CB-CB 4.29Å; Q98-L113 PolarHBondContact N-O 2.89Å; Q98-L113 PolarHBondContact O-N 3.07Å; D101-L113 HydrophobicContact CB-CD1 3.56Å; N110-L113 HydrophobicContact CB-CD1 4.05Å; N110-L113 HydrophobicContact CB-CD2 3.88Å; N110-L113 HydrophobicContact CB-CG 3.98Å; W111-L113 VanDerWaalsContact C-N 3.33Å; W111-L113 PolarHBondContact O-N 2.89Å; L113-G115 PolarHBondContact O-N 3.45Å; L113-E295 HydrophobicContact CD2-CG 4.04Å
114	G	98.2	Very high	97.4	Very high	34 Å²	34	21.9 Å²	21.9	35%	0.351	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-13.8	-174.7	0	0	0	0	0	114.1	K94 D97	K94-G114 WeakPolarHBondContact CD-O 3.27Å; K94-G114 PolarHBondContact NZ-O 3.14Å; D97-G114 WeakPolarHBondContact OD2-CA 3.48Å
115	G	98.5	Very high	97.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	13%	0.13	C	C	.	.			trans	-78.1	141.9	177.8	0	0	0	0	0	112.2	K94 F112 L113 G293 S294	K94-G115 CarbonylContact O-C 3.58Å; K94-G115 WeakPolarHBondContact O-CA 3.27Å; F112-G115 PolarHBondContact O-N 3.26Å; F112-G115 VanDerWaalsContact O-N 3.14Å; L113-G115 PolarHBondContact O-N 3.45Å; G115-G293 WeakPolarHBondContact O-CA 3.27Å; G115-S294 PolarHBondContact O-N 3.45Å
116	Q	98.8	Very high	98.1	Very high	83 Å²	83	20.3 Å²	20.3	39%	0.388	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.4	172.7	-63.5	-179.1	-13.9	0	0	110.3	W92 N93 K94 M292	W92-Q116 CarbonylContact C-O 3.52Å; W92-Q116 WeakPolarHBondContact CA-O 3.46Å; N93-Q116 HydrophobicContact CB-CB 4.31Å; N93-Q116 PolarHBondContact N-O 3.41Å; K94-Q116 HydrophobicContact CB-CB 3.98Å; K94-Q116 HydrophobicContact CB-CG 4.31Å; K94-Q116 PolarHBondContact N-O 3.02Å; K94-Q116 PolarHBondContact O-N 3.29Å; Q116-M292 CarbonylContact C-O 3.28Å; Q116-M292 WeakPolarHBondContact CA-O 3.42Å
117	L	98.8	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	178.2	178.4	74.2	165.7	0	0	0	109.9	L90 W92 N93 M292 Q317 A318	L90-L117 HydrophobicContact CD1-CD1 4.04Å; W92-L117 HydrophobicContact CE3-CB 4.17Å; W92-L117 HydrophobicContact CE3-CD2 4.39Å; W92-L117 HydrophobicContact CZ3-CD2 3.96Å; N93-L117 VanDerWaalsContact OD1-CA 3.29Å; N93-L117 WeakPolarHBondContact OD1-CA 3.31Å; L117-M292 PolarHBondContact N-O 3.34Å; L117-M292 WeakPolarHBondContact O-CA 3.42Å; L117-M292 WeakPolarHBondContact O-CB 3.32Å; L117-M292 PolarHBondContact O-N 3.29Å; L117-M292 VanDerWaalsContact O-O 3.1Å; L117-Q317 HydrophobicContact CD2-CB 3.92Å; L117-A318 HydrophobicContact CD1-CB 4Å; L117-A318 HydrophobicContact CD2-CB 3.8Å
118	N	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.			trans	-133	129.2	162.9	-172.3	-76.4	0	0	0	109.7	S120 V121 N122 A195 R196 P289 E290	N118-S120 PolarHBondContact O-N 3.28Å; N118-S120 WeakPolarHBondContact OD1-CA 3.5Å; N118-S120 VanDerWaalsContact OD1-CB 3.24Å; N118-S120 WeakPolarHBondContact OD1-CB 3.48Å; N118-S120 PolarHBondContact OD1-N 3.32Å; N118-V121 HydrophobicContact CB-CB 4.18Å; N118-V121 HydrophobicContact CB-CG2 3.84Å; N118-V121 PolarHBondContact O-N 3.39Å; N118-V121 PolarHBondContact OD1-N 2.9Å; N118-N122 PolarHBondContact O-N 3.38Å; N118-N122 PolarHBondContact O-ND2 3.3Å; N118-A195 PolarHBondContact ND2-O 3.44Å; N118-A195 VanDerWaalsContact ND2-O 3.11Å; N118-R196 PolarHBondContact ND2-O 2.86Å; N118-R196 VanDerWaalsContact ND2-O 3.14Å; N118-P289 HydrophobicContact CB-CB 4.07Å; N118-E290 PolarHBondContact ND2-O 3Å
119	V	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.9	-37.7	-178.3	167	0	0	0	0	111.7	V121 N122 C123 A195 L298 Q317 L321 Y357	V119-V121 VanDerWaalsContact C-N 3.29Å; V119-V121 PolarHBondContact O-N 2.92Å; V119-N122 PolarHBondContact O-N 2.94Å; V119-C123 PolarHBondContact O-N 3.16Å; V119-C123 PolarHBondContact O-SG 2.75Å; V119-A195 HydrophobicContact CB-CB 4.36Å; V119-L298 HydrophobicContact CB-CD1 4Å; V119-L298 HydrophobicContact CG1-CD1 4.15Å; V119-L298 HydrophobicContact CG1-CD2 4.32Å; V119-L298 HydrophobicContact CG2-CD1 3.97Å; V119-L298 HydrophobicContact CG2-CD2 4.12Å; V119-Q317 HydrophobicContact CG2-CB 4.19Å; V119-L321 HydrophobicContact CB-CD2 4.37Å; V119-L321 HydrophobicContact CG1-CD1 4.15Å; V119-L321 HydrophobicContact CG1-CD2 4.23Å; V119-L321 HydrophobicContact CG2-CB 4.32Å; V119-L321 HydrophobicContact CG2-CD2 4.02Å; V119-Y357 HydrophobicContact CG1-CD1 3.66Å; V119-Y357 HydrophobicContact CG1-CE1 3.44Å; V119-Y357 VanDerWaalsContact CG1-CE1 3.44Å
120	S	98.8	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.7	-38.4	176.1	171	0	0	0	0	111.7	N118 C123 L124 R196	N118-S120 PolarHBondContact O-N 3.28Å; N118-S120 WeakPolarHBondContact OD1-CA 3.5Å; N118-S120 VanDerWaalsContact OD1-CB 3.24Å; N118-S120 WeakPolarHBondContact OD1-CB 3.48Å; N118-S120 PolarHBondContact OD1-N 3.32Å; S120-C123 PolarHBondContact O-N 3.2Å; S120-L124 WeakPolarHBondContact O-CB 3.33Å; S120-L124 PolarHBondContact O-N 2.98Å; S120-R196 PolarHBondContact OG-NH1 3.29Å; S120-R196 VanDerWaalsContact OG-NH1 3.15Å
121	V	98.9	Very high	98.4	Very high	19 Å²	19	31.2 Å²	31.2	12%	0.115	18%	0.175	C	C	.	.	I	π-helix	trans	-61.7	-46.1	176.8	170.1	0	0	0	0	111.6	N118 V119 C123 L124 D125 V126 P289	N118-V121 HydrophobicContact CB-CB 4.18Å; N118-V121 HydrophobicContact CB-CG2 3.84Å; N118-V121 PolarHBondContact O-N 3.39Å; N118-V121 PolarHBondContact OD1-N 2.9Å; V119-V121 VanDerWaalsContact C-N 3.29Å; V119-V121 PolarHBondContact O-N 2.92Å; V121-C123 VanDerWaalsContact C-N 3.27Å; V121-C123 PolarHBondContact O-N 3.36Å; V121-L124 PolarHBondContact O-N 3.35Å; V121-D125 WeakPolarHBondContact CA-OD2 3.47Å; V121-D125 HydrophobicContact CB-CB 4.43Å; V121-D125 HydrophobicContact CG1-CB 4.15Å; V121-D125 PolarHBondContact O-N 2.89Å; V121-D125 VanDerWaalsContact O-N 3.14Å; V121-V126 HydrophobicContact CG1-CG1 4.27Å; V121-V126 WeakPolarHBondContact O-CG1 3.14Å; V121-V126 PolarHBondContact O-N 3.28Å; V121-V126 VanDerWaalsContact O-N 3.16Å; V121-P289 HydrophobicContact CG2-CB 3.57Å; V121-P289 HydrophobicContact CG2-CG 3.54Å
122	N	98.8	Very high	98.4	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.185	C	C	.	.	I	π-helix	trans	-68.8	-25	179.6	-79	-84.9	0	0	0	113.2	L90 T91 N118 V119 V126 L321	L90-N122 WeakPolarHBondContact CA-OD1 3.49Å; T91-N122 PolarHBondContact N-OD1 2.82Å; T91-N122 PolarHBondContact O-ND2 3.34Å; N118-N122 PolarHBondContact O-N 3.38Å; N118-N122 PolarHBondContact O-ND2 3.3Å; V119-N122 PolarHBondContact O-N 2.94Å; N122-V126 WeakPolarHBondContact O-CG2 3.33Å; N122-L321 HydrophobicContact CB-CD2 3.58Å
123	C	98.9	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-92	-20.3	176.7	-69	0	0	0	0	114	V119 S120 V121 H127 Y152 L192 L360	V119-C123 PolarHBondContact O-N 3.16Å; V119-C123 PolarHBondContact O-SG 2.75Å; S120-C123 PolarHBondContact O-N 3.2Å; V121-C123 VanDerWaalsContact C-N 3.27Å; V121-C123 PolarHBondContact O-N 3.36Å; C123-H127 PolarHBondContact O-CD2 2.88Å; C123-Y152 WeakPolarHBondContact O-CE1 3.4Å; C123-L192 HydrophobicContact CB-CD2 4.06Å; C123-L360 HydrophobicContact CB-CB 3.9Å
124	L	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-130.7	-69.8	-171.3	-59.3	177.4	0	0	0	112.5	S120 V121 V126 H127 V128 Y152 L155 L156 T159 L192	S120-L124 WeakPolarHBondContact O-CB 3.33Å; S120-L124 PolarHBondContact O-N 2.98Å; V121-L124 PolarHBondContact O-N 3.35Å; L124-V126 VanDerWaalsContact C-N 3.29Å; L124-V126 PolarHBondContact O-N 3.29Å; L124-H127 PolarHBondContact O-N 3.14Å; L124-V128 WeakPolarHBondContact O-CG2 3.42Å; L124-V128 PolarHBondContact O-N 2.97Å; L124-Y152 HydrophobicContact CD2-CD1 4.33Å; L124-L155 HydrophobicContact CD2-CB 4.26Å; L124-L155 HydrophobicContact CD2-CD2 3.5Å; L124-L155 HydrophobicContact CD2-CG 3.68Å; L124-L156 HydrophobicContact CB-CB 4.37Å; L124-L156 HydrophobicContact CB-CD1 4Å; L124-L156 HydrophobicContact CD1-CB 4.46Å; L124-L156 HydrophobicContact CD1-CD1 4.04Å; L124-T159 HydrophobicContact CD1-CG2 3.98Å; L124-L192 HydrophobicContact CD1-CB 4.37Å; L124-L192 HydrophobicContact CD1-CD1 3.89Å; L124-L192 HydrophobicContact CD2-CD1 3.99Å; L124-L192 HydrophobicContact CG-CD1 4.09Å
125	D	98.8	Very high	98.4	Very high	40 Å²	40	38.8 Å²	38.8	21%	0.214	21%	0.206	C	C	.	.	I	π-helix	trans	-57.1	-40.6	-167.6	-57.2	-124.5	0	0	0	112.1	V121 H127 V128 A129 L156 R196	V121-D125 WeakPolarHBondContact CA-OD2 3.47Å; V121-D125 HydrophobicContact CB-CB 4.43Å; V121-D125 HydrophobicContact CG1-CB 4.15Å; V121-D125 PolarHBondContact O-N 2.89Å; V121-D125 VanDerWaalsContact O-N 3.14Å; D125-H127 VanDerWaalsContact C-N 3.26Å; D125-H127 PolarHBondContact O-N 3.4Å; D125-V128 PolarHBondContact O-N 3.36Å; D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 2.92Å; D125-L156 WeakPolarHBondContact OD2-CD1 3.41Å; D125-R196 IonicContact OD1-CZ 3.25Å; D125-R196 IonicContact OD1-NH1 2.99Å; D125-R196 PolarHBondContact OD1-NH1 3.2Å; D125-R196 IonicContact OD1-NH2 3.23Å; D125-R196 PolarHBondContact OD1-NH2 2.7Å; D125-R196 IonicContact OD2-CZ 2.89Å; D125-R196 IonicContact OD2-NH1 2.74Å; D125-R196 PolarHBondContact OD2-NH1 2.99Å; D125-R196 IonicContact OD2-NH2 3.73Å
126	V	98.3	Very high	98.4	Very high	34 Å²	34	38.8 Å²	38.8	21%	0.206	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-31.3	177.7	-61.2	0	0	0	0	113.3	T91 V121 N122 L124	T91-V126 HydrophobicContact CG2-CG1 4.47Å; T91-V126 WeakPolarHBondContact OG1-CG1 3.46Å; V121-V126 HydrophobicContact CG1-CG1 4.27Å; V121-V126 WeakPolarHBondContact O-CG1 3.14Å; V121-V126 PolarHBondContact O-N 3.28Å; V121-V126 VanDerWaalsContact O-N 3.16Å; N122-V126 WeakPolarHBondContact O-CG2 3.33Å; L124-V126 VanDerWaalsContact C-N 3.29Å; L124-V126 PolarHBondContact O-N 3.29Å
127	H	98.3	Very high	98.4	Very high	30 Å²	30	34.8 Å²	34.8	14%	0.139	19%	0.187	C	C	.	.	H	α-helix	trans	-86.7	-37.7	179.1	-60	-53	0	0	0	111.1	C123 L124 D125 A129 K130 H131 Y152 L360 C361 G363	C123-H127 PolarHBondContact O-CD2 2.88Å; L124-H127 PolarHBondContact O-N 3.14Å; D125-H127 VanDerWaalsContact C-N 3.26Å; D125-H127 PolarHBondContact O-N 3.4Å; H127-A129 PolarHBondContact O-N 2.92Å; H127-K130 PolarHBondContact O-N 2.82Å; H127-K130 VanDerWaalsContact O-N 3.09Å; H127-H131 CarbonylContact O-C 3.58Å; H127-H131 PolarHBondContact O-N 3.32Å; H127-Y152 HydrophobicContact CB-CD1 3.64Å; H127-Y152 HydrophobicContact CB-CE1 3.8Å; H127-Y152 HydrophobicContact CB-CG 4.04Å; H127-Y152 AromaticContact CD2-CE1 3.67Å; H127-Y152 AromaticContact CG-CE1 3.97Å; H127-L360 PolarHBondContact CD2-O 3.4Å; H127-L360 PolarHBondContact NE2-O 3.06Å; H127-C361 PolarHBondContact CE1-O 2.93Å; H127-C361 PolarHBondContact NE2-O 2.84Å; H127-G363 WeakPolarHBondContact CE1-CA 3.39Å; H127-G363 PolarHBondContact CE1-N 3.29Å; H127-G363 VanDerWaalsContact CE1-N 3.34Å; H127-G363 WeakPolarHBondContact NE2-CA 3.36Å; H127-G363 PolarHBondContact NE2-N 3.17Å
128	V	98.6	Very high	98.4	Very high	29 Å²	29	35.1 Å²	35.1	18%	0.176	19%	0.189	C	C	.	.	H	α-helix	trans	-59.9	-37.3	172.9	173.8	0	0	0	0	111.3	L124 D125 K130 P132 Y152 L156	L124-V128 WeakPolarHBondContact O-CG2 3.42Å; L124-V128 PolarHBondContact O-N 2.97Å; D125-V128 PolarHBondContact O-N 3.36Å; V128-K130 PolarHBondContact O-N 3.19Å; V128-P132 HydrophobicContact CG1-CB 4.06Å; V128-P132 WeakPolarHBondContact O-CB 3.29Å; V128-P132 VanDerWaalsContact O-CD 3.27Å; V128-P132 WeakPolarHBondContact O-CD 3.32Å; V128-Y152 WeakPolarHBondContact CG2-O 3.29Å; V128-L156 HydrophobicContact CB-CD2 4.08Å; V128-L156 HydrophobicContact CG1-CD2 4.05Å; V128-L156 HydrophobicContact CG2-CB 4.02Å; V128-L156 HydrophobicContact CG2-CD2 3.81Å
129	A	98.2	Very high	98.4	Very high	87 Å²	87	36.8 Å²	36.8	72%	0.719	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26	176.7	0	0	0	0	0	113.7	D125 H127	D125-A129 WeakPolarHBondContact O-CB 3.49Å; D125-A129 PolarHBondContact O-N 2.92Å; H127-A129 PolarHBondContact O-N 2.92Å
130	K	96.2	Very high	98.3	Very high	154 Å²	154	36.8 Å²	36.8	67%	0.67	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-45.5	-176.2	-64	177.4	-178.4	175	0	112.8	H127 V128	H127-K130 PolarHBondContact O-N 2.82Å; H127-K130 VanDerWaalsContact O-N 3.09Å; V128-K130 PolarHBondContact O-N 3.19Å
131	H	96.2	Very high	98.2	Very high	95 Å²	95	40.5 Å²	40.5	44%	0.44	21%	0.209	S	C	.	.			trans	-143.4	65.8	-170.6	-56.8	-56.6	0	0	0	111.2	H127 D133 R134	H127-H131 CarbonylContact O-C 3.58Å; H127-H131 PolarHBondContact O-N 3.32Å; H131-D133 VanDerWaalsContact C-N 3.27Å; H131-D133 PolarHBondContact O-N 3.44Å; H131-R134 HydrophobicContact CB-CB 3.97Å; H131-R134 PolarHBondContact CD2-NH2 3.3Å; H131-R134 PolarHBondContact NE2-NH2 3.5Å; H131-R134 WeakPolarHBondContact O-CB 3.32Å; H131-R134 PolarHBondContact O-N 3.38Å; H131-R134 VanDerWaalsContact O-N 3.12Å
132	P	97.8	Very high	98	Very high	31 Å²	31	39.6 Å²	39.6	20%	0.201	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.4	-173.2	25.2	-34	0	0	0	113.7	V128 R134 R153	V128-P132 HydrophobicContact CG1-CB 4.06Å; V128-P132 WeakPolarHBondContact O-CB 3.29Å; V128-P132 VanDerWaalsContact O-CD 3.27Å; V128-P132 WeakPolarHBondContact O-CD 3.32Å; P132-R134 VanDerWaalsContact C-N 3.34Å; P132-R153 HydrophobicContact CB-CB 4.13Å; P132-R153 VanDerWaalsContact CG-NH2 3.27Å; P132-R153 WeakPolarHBondContact O-CB 3.39Å; P132-R153 PolarHBondContact O-N 2.72Å
133	D	98.2	Very high	97.8	Very high	102 Å²	102	42.6 Å²	42.6	55%	0.545	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.2	-177.7	-55.4	-64.1	0	0	0	112.9	H131 T151 R153	H131-D133 VanDerWaalsContact C-N 3.27Å; H131-D133 PolarHBondContact O-N 3.44Å; D133-T151 WeakPolarHBondContact O-CG2 3.23Å; D133-R153 IonicContact OD1-CZ 2.79Å; D133-R153 VanDerWaalsContact OD1-CZ 3.23Å; D133-R153 IonicContact OD1-NH1 3.29Å; D133-R153 PolarHBondContact OD1-NH1 3.4Å; D133-R153 IonicContact OD1-NH2 3.08Å; D133-R153 PolarHBondContact OD1-NH2 3.11Å; D133-R153 IonicContact OD2-CZ 2.87Å; D133-R153 IonicContact OD2-NH1 3.59Å; D133-R153 IonicContact OD2-NH2 3.81Å; D133-R153 PolarHBondContact OD2-NH2 3.35Å; D133-R153 VanDerWaalsContact OD2-NH2 3.16Å
134	R	98.2	Very high	97.4	Very high	69 Å²	69	45.2 Å²	45.2	26%	0.26	24%	0.235	S	C	.	.	S	Bend	trans	-66.1	137.7	170.4	-179.2	-176.6	-66.3	-176.5	0.6	108.7	H131 P132 A136 T151 Y152 G363	H131-R134 HydrophobicContact CB-CB 3.97Å; H131-R134 PolarHBondContact CD2-NH2 3.3Å; H131-R134 PolarHBondContact NE2-NH2 3.5Å; H131-R134 WeakPolarHBondContact O-CB 3.32Å; H131-R134 PolarHBondContact O-N 3.38Å; H131-R134 VanDerWaalsContact O-N 3.12Å; P132-R134 VanDerWaalsContact C-N 3.34Å; R134-A136 PolarHBondContact O-N 2.84Å; R134-T151 CarbonylContact O-C 3.6Å; R134-T151 WeakPolarHBondContact O-CA 3.21Å; R134-Y152 HydrophobicContact CB-CD2 4.08Å; R134-Y152 HydrophobicContact CG-CD2 4.24Å; R134-Y152 HydrophobicContact CG-CE2 4.28Å; R134-Y152 WeakPolarHBondContact O-CD2 3.39Å; R134-Y152 PolarHBondContact O-N 3.46Å; R134-G363 PolarHBondContact NH1-O 3.32Å
135	V	98.8	Very high	97	Very high	37 Å²	37	47.3 Å²	47.3	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	123.9	173.1	-176.6	0	0	0	0	109	L137 V138 K149 T365	V135-L137 VanDerWaalsContact CG1-O 3.29Å; V135-L137 WeakPolarHBondContact CG1-O 3.37Å; V135-V138 HydrophobicContact CG1-CG2 3.84Å; V135-K149 HydrophobicContact CG1-CB 4.1Å; V135-K149 HydrophobicContact CG1-CG 4.47Å; V135-K149 HydrophobicContact CG2-CB 4.35Å; V135-K149 HydrophobicContact CG2-CD 4.45Å; V135-T365 HydrophobicContact CB-CG2 4.24Å; V135-T365 HydrophobicContact CG1-CG2 3.9Å; V135-T365 PolarHBondContact O-OG1 2.87Å; V135-T365 VanDerWaalsContact O-OG1 3.08Å
136	A	98.8	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-48.9	172.1	0	0	0	0	0	110.2	R134 V150 Y152 L155 L360 T365 T366	R134-A136 PolarHBondContact O-N 2.84Å; A136-V150 PolarHBondContact N-O 3.1Å; A136-Y152 HydrophobicContact CB-CD1 4.01Å; A136-Y152 HydrophobicContact CB-CD2 3.63Å; A136-Y152 HydrophobicContact CB-CE1 4.03Å; A136-Y152 HydrophobicContact CB-CE2 3.62Å; A136-Y152 HydrophobicContact CB-CG 3.8Å; A136-L155 HydrophobicContact CB-CD2 3.99Å; A136-L360 HydrophobicContact CB-CD2 4.12Å; A136-T365 WeakPolarHBondContact O-CA 3.4Å; A136-T366 WeakPolarHBondContact O-CG2 3.21Å; A136-T366 PolarHBondContact O-N 3.48Å
137	L	98.9	Very high	96.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.3	-174.8	-46.7	173.4	0	0	0	110.3	V135 K149 V150 L155 P185 V188 L360 T366 L368	V135-L137 VanDerWaalsContact CG1-O 3.29Å; V135-L137 WeakPolarHBondContact CG1-O 3.37Å; L137-K149 WeakPolarHBondContact O-CA 3.34Å; L137-V150 HydrophobicContact CB-CB 4.16Å; L137-V150 HydrophobicContact CD1-CB 4.48Å; L137-V150 PolarHBondContact N-O 3.33Å; L137-V150 PolarHBondContact O-N 2.76Å; L137-L155 HydrophobicContact CD1-CD1 3.8Å; L137-L155 HydrophobicContact CD1-CD2 3.86Å; L137-L155 HydrophobicContact CD1-CG 4.39Å; L137-L155 HydrophobicContact CD2-CD2 4.23Å; L137-L155 HydrophobicContact CG-CD2 3.96Å; L137-P185 HydrophobicContact CD1-CB 4.14Å; L137-V188 HydrophobicContact CD1-CB 4.22Å; L137-V188 HydrophobicContact CD1-CG1 4.2Å; L137-V188 HydrophobicContact CD2-CG1 4.29Å; L137-L360 HydrophobicContact CD2-CD2 4.15Å; L137-T366 WeakPolarHBondContact CA-O 3.12Å; L137-T366 HydrophobicContact CD2-CG2 3.4Å; L137-L368 HydrophobicContact CB-CD1 4.28Å; L137-L368 HydrophobicContact CB-CG 4.44Å; L137-L368 HydrophobicContact CD1-CD1 4.08Å; L137-L368 HydrophobicContact CD2-CD1 4.48Å; L137-L368 HydrophobicContact CD2-CD2 4.47Å
138	V	98.8	Very high	96.8	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	104.6	162.7	-176	0	0	0	0	107.7	V135 E140 E147 K149 T365 T366 V367 L368 L388	V135-V138 HydrophobicContact CG1-CG2 3.84Å; V138-E140 PolarHBondContact O-N 3.5Å; V138-E147 HydrophobicContact CG1-CB 4.16Å; V138-E147 HydrophobicContact CG1-CG 4.22Å; V138-K149 HydrophobicContact CG2-CG 4.39Å; V138-T365 HydrophobicContact CG2-CG2 3.64Å; V138-T366 PolarHBondContact N-O 2.97Å; V138-V367 HydrophobicContact CB-CG2 4.49Å; V138-V367 CarbonylContact O-C 3.58Å; V138-V367 WeakPolarHBondContact O-CA 3.4Å; V138-L368 PolarHBondContact O-N 3.16Å; V138-L388 HydrophobicContact CG1-CD1 3.76Å; V138-L388 HydrophobicContact CG1-CD2 3.83Å; V138-L388 HydrophobicContact CG1-CG 4.41Å
139	W	98.6	Very high	96.8	Very high	35 Å²	35	52.8 Å²	52.8	13%	0.133	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	96.8	176.5	-175.4	31.1	0	0	0	110.6	R141 E147 V148 V183 P185 L368	W139-R141 HydrophobicContact CD2-CG 3.75Å; W139-R141 HydrophobicContact CE3-CG 3.97Å; W139-R141 HydrophobicContact CG-CG 4.31Å; W139-R141 HydrophobicContact CH2-CG 4.14Å; W139-R141 HydrophobicContact CZ2-CG 3.93Å; W139-R141 HydrophobicContact CZ3-CG 4.15Å; W139-R141 PolarHBondContact O-N 2.94Å; W139-R141 VanDerWaalsContact O-N 3.14Å; W139-E147 CarbonylContact O-C 3.55Å; W139-E147 WeakPolarHBondContact O-CA 3.43Å; W139-V148 HydrophobicContact CB-CB 4.31Å; W139-V148 HydrophobicContact CE3-CB 4.1Å; W139-V148 HydrophobicContact CE3-CG2 4.03Å; W139-V148 PolarHBondContact N-O 2.74Å; W139-V148 PolarHBondContact O-N 3.34Å; W139-V183 PolarHBondContact NE1-O 2.96Å; W139-P185 HydrophobicContact CB-CG 3.83Å; W139-P185 HydrophobicContact CD2-CG 4.03Å; W139-P185 HydrophobicContact CE3-CG 3.91Å; W139-P185 HydrophobicContact CG-CG 4.04Å; W139-L368 HydrophobicContact CB-CB 4.4Å
140	E	97.6	Very high	96.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	92.5	169.9	-177.1	60.4	-154.8	0	0	108.1	V138 V367 L368 F369 E370 R380 T384 R387 L388	V138-E140 PolarHBondContact O-N 3.5Å; E140-V367 HydrophobicContact CB-CG1 4.23Å; E140-L368 PolarHBondContact N-O 3.37Å; E140-F369 HydrophobicContact CB-CD2 4.19Å; E140-F369 HydrophobicContact CG-CD2 3.79Å; E140-F369 HydrophobicContact CG-CE2 4.09Å; E140-E370 WeakPolarHBondContact O-CB 3.46Å; E140-E370 PolarHBondContact O-N 2.95Å; E140-R380 IonicContact OE1-CZ 2.66Å; E140-R380 VanDerWaalsContact OE1-CZ 3.23Å; E140-R380 IonicContact OE1-NH1 2.74Å; E140-R380 PolarHBondContact OE1-NH1 2.59Å; E140-R380 IonicContact OE1-NH2 3.29Å; E140-R380 PolarHBondContact OE1-NH2 2.76Å; E140-T384 HydrophobicContact CG-CG2 3.99Å; E140-R387 IonicContact OE1-CZ 3.34Å; E140-R387 IonicContact OE1-NH1 2.91Å; E140-R387 IonicContact OE1-NH2 3.52Å; E140-R387 PolarHBondContact OE1-NH2 3.02Å; E140-R387 IonicContact OE2-CZ 2.74Å; E140-R387 VanDerWaalsContact OE2-CZ 3.28Å; E140-R387 IonicContact OE2-NH1 3.97Å; E140-R387 PolarHBondContact OE2-NH1 3.16Å; E140-R387 IonicContact OE2-NH2 3.82Å; E140-R387 PolarHBondContact OE2-NH2 2.98Å; E140-L388 HydrophobicContact CB-CD1 4.44Å
141	R	96.6	Very high	96.9	Very high	77 Å²	77	43 Å²	43	29%	0.291	22%	0.224	S	C	.	.			trans	-61.4	164.2	176	-73.8	-169.3	-70.4	173.6	-10.5	111.4	W139 E143 T146 E370 R380	W139-R141 HydrophobicContact CD2-CG 3.75Å; W139-R141 HydrophobicContact CE3-CG 3.97Å; W139-R141 HydrophobicContact CG-CG 4.31Å; W139-R141 HydrophobicContact CH2-CG 4.14Å; W139-R141 HydrophobicContact CZ2-CG 3.93Å; W139-R141 HydrophobicContact CZ3-CG 4.15Å; W139-R141 PolarHBondContact O-N 2.94Å; W139-R141 VanDerWaalsContact O-N 3.14Å; R141-E143 VanDerWaalsContact C-N 3.27Å; R141-E143 PolarHBondContact O-N 3.48Å; R141-T146 WeakPolarHBondContact CB-OG1 3.47Å; R141-T146 PolarHBondContact NE-O 2.73Å; R141-T146 PolarHBondContact NE-OG1 3.39Å; R141-T146 VanDerWaalsContact NH2-CB 3.32Å; R141-T146 PolarHBondContact NH2-O 3.39Å; R141-E370 WeakPolarHBondContact CA-OE2 3.46Å; R141-R380 PolarHBondContact O-NH2 3.16Å
142	D	95.7	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-53.5	-44.3	178.8	-165	52.2	0	0	0	112.9	V232 G234 G235 E370 S371 Y375 R380	D142-V232 HydrophobicContact CB-CB 4.25Å; D142-V232 HydrophobicContact CB-CG1 3.74Å; D142-G234 VanDerWaalsContact CG-N 3.32Å; D142-G234 PolarHBondContact OD1-N 3.09Å; D142-G234 PolarHBondContact OD2-N 3.18Å; D142-G235 WeakPolarHBondContact OD2-CA 3.41Å; D142-G235 PolarHBondContact OD2-N 2.68Å; D142-E370 PolarHBondContact N-OE2 3.47Å; D142-E370 VanDerWaalsContact N-OE2 3.12Å; D142-S371 PolarHBondContact O-OG 2.75Å; D142-S371 VanDerWaalsContact OD1-CA 3.26Å; D142-S371 WeakPolarHBondContact OD1-CA 3.43Å; D142-S371 VanDerWaalsContact OD1-CB 3.22Å; D142-S371 WeakPolarHBondContact OD1-CB 3.47Å; D142-S371 PolarHBondContact OD1-OG 2.91Å; D142-Y375 WeakPolarHBondContact OD2-CE1 3.17Å; D142-R380 PolarHBondContact O-NH2 3.07Å
143	E	93.2	Very high	97.1	Very high	67 Å²	67	41.5 Å²	41.5	31%	0.313	21%	0.211	S	C	.	.	S	Bend	trans	-73.6	123.6	176.5	-60	81.5	-174.9	0	0	112.4	R141 T146 R262	R141-E143 VanDerWaalsContact C-N 3.27Å; R141-E143 PolarHBondContact O-N 3.48Å; E143-T146 HydrophobicContact CB-CG2 3.84Å; E143-T146 WeakPolarHBondContact O-CB 3.28Å; E143-T146 PolarHBondContact O-N 2.89Å; E143-T146 PolarHBondContact O-OG1 3.5Å; E143-R262 IonicContact OE2-NH2 3.95Å
144	P	90.8	Very high	97.2	Very high	55 Å²	55	39.7 Å²	39.7	36%	0.357	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	140.9	-178.7	-23.8	31.2	0	0	0	115.2	T146 P376 R380	P144-T146 PolarHBondContact O-N 3.45Å; P144-P376 HydrophobicContact CG-CG 3.9Å; P144-R380 VanDerWaalsContact CA-NH1 3.31Å
145	G	91.3	Very high	97.2	Very high	45 Å²	45	36.4 Å²	36.4	46%	0.464	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	16.4	176.5	0	0	0	0	0	114.3
146	T	95.4	Very high	97.2	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.252	18%	0.182	S	C	.	.			trans	-109.3	26.7	-179.4	75.6	0	0	0	0	112	R141 E143 P144	R141-T146 WeakPolarHBondContact CB-OG1 3.47Å; R141-T146 PolarHBondContact NE-O 2.73Å; R141-T146 PolarHBondContact NE-OG1 3.39Å; R141-T146 VanDerWaalsContact NH2-CB 3.32Å; R141-T146 PolarHBondContact NH2-O 3.39Å; E143-T146 HydrophobicContact CB-CG2 3.84Å; E143-T146 WeakPolarHBondContact O-CB 3.28Å; E143-T146 PolarHBondContact O-N 2.89Å; E143-T146 PolarHBondContact O-OG1 3.5Å; P144-T146 PolarHBondContact O-N 3.45Å
147	E	96.8	Very high	97.2	Very high	57 Å²	57	39.5 Å²	39.5	27%	0.266	20%	0.199	S	C	.	.			trans	-61.4	148.2	-173	75.1	-79.4	-171.6	0	0	113.6	V138 W139 R387 L388	V138-E147 HydrophobicContact CG1-CB 4.16Å; V138-E147 HydrophobicContact CG1-CG 4.22Å; W139-E147 CarbonylContact O-C 3.55Å; W139-E147 WeakPolarHBondContact O-CA 3.43Å; E147-R387 IonicContact OE1-NH1 2.83Å; E147-R387 IonicContact OE2-CZ 3.56Å; E147-R387 IonicContact OE2-NH1 2.65Å; E147-R387 PolarHBondContact OE2-NH1 3.26Å; E147-L388 HydrophobicContact CB-CD2 4.5Å; E147-L388 HydrophobicContact CG-CD2 4.04Å
148	V	98.1	Very high	97.2	Very high	33 Å²	33	41.4 Å²	41.4	20%	0.2	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.5	172.5	-179.1	0	0	0	0	108.8	F20 W139 V150	F20-V148 HydrophobicContact CE2-CG1 4.43Å; F20-V148 HydrophobicContact CZ-CG1 4.23Å; W139-V148 HydrophobicContact CB-CB 4.31Å; W139-V148 HydrophobicContact CE3-CB 4.1Å; W139-V148 HydrophobicContact CE3-CG2 4.03Å; W139-V148 PolarHBondContact N-O 2.74Å; W139-V148 PolarHBondContact O-N 3.34Å; V148-V150 HydrophobicContact CG1-CG2 4.29Å
149	K	98.6	Very high	97.2	Very high	116 Å²	116	41.1 Å²	41.1	50%	0.504	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	130.6	174.8	-62.3	-177.4	-178.5	177.5	0	109	V135 L137 V138	V135-K149 HydrophobicContact CG1-CB 4.1Å; V135-K149 HydrophobicContact CG1-CG 4.47Å; V135-K149 HydrophobicContact CG2-CB 4.35Å; V135-K149 HydrophobicContact CG2-CD 4.45Å; L137-K149 WeakPolarHBondContact O-CA 3.34Å; V138-K149 HydrophobicContact CG2-CG 4.39Å
150	V	98.9	Very high	97.2	Very high	12 Å²	12	39.5 Å²	39.5	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.9	177.5	-174.7	0	0	0	0	108.2	A136 L137 V148 E154 L155 P185	A136-V150 PolarHBondContact N-O 3.1Å; L137-V150 HydrophobicContact CB-CB 4.16Å; L137-V150 HydrophobicContact CD1-CB 4.48Å; L137-V150 PolarHBondContact N-O 3.33Å; L137-V150 PolarHBondContact O-N 2.76Å; V148-V150 HydrophobicContact CG1-CG2 4.29Å; V150-E154 HydrophobicContact CG1-CB 3.8Å; V150-L155 HydrophobicContact CG1-CB 4.05Å; V150-P185 HydrophobicContact CG2-CB 4.07Å; V150-P185 HydrophobicContact CG2-CG 3.98Å
151	T	98.9	Very high	97.3	Very high	23 Å²	23	43 Å²	43	14%	0.141	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	161.8	176.6	61.2	0	0	0	0	112.1	D133 R134 R153 E154 L155	D133-T151 WeakPolarHBondContact O-CG2 3.23Å; R134-T151 CarbonylContact O-C 3.6Å; R134-T151 WeakPolarHBondContact O-CA 3.21Å; T151-R153 PolarHBondContact O-N 3.27Å; T151-E154 WeakPolarHBondContact CB-OE2 3.09Å; T151-E154 WeakPolarHBondContact CG2-OE2 3.49Å; T151-E154 PolarHBondContact N-OE2 3.36Å; T151-E154 PolarHBondContact O-N 2.88Å; T151-E154 WeakPolarHBondContact OG1-CB 3.34Å; T151-E154 VanDerWaalsContact OG1-CD 3.25Å; T151-E154 VanDerWaalsContact OG1-CG 3.24Å; T151-E154 WeakPolarHBondContact OG1-CG 3.49Å; T151-E154 PolarHBondContact OG1-N 3.03Å; T151-E154 PolarHBondContact OG1-OE2 3.15Å; T151-L155 WeakPolarHBondContact O-CB 3.42Å; T151-L155 PolarHBondContact O-N 2.74Å
152	Y	98.9	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.5	-38.4	172.7	-87	-84.4	0	0	0	111.9	C123 L124 H127 V128 R134 A136 L156 L360 G363 A364	C123-Y152 WeakPolarHBondContact O-CE1 3.4Å; L124-Y152 HydrophobicContact CD2-CD1 4.33Å; H127-Y152 HydrophobicContact CB-CD1 3.64Å; H127-Y152 HydrophobicContact CB-CE1 3.8Å; H127-Y152 HydrophobicContact CB-CG 4.04Å; H127-Y152 AromaticContact CD2-CE1 3.67Å; H127-Y152 AromaticContact CG-CE1 3.97Å; V128-Y152 WeakPolarHBondContact CG2-O 3.29Å; R134-Y152 HydrophobicContact CB-CD2 4.08Å; R134-Y152 HydrophobicContact CG-CD2 4.24Å; R134-Y152 HydrophobicContact CG-CE2 4.28Å; R134-Y152 WeakPolarHBondContact O-CD2 3.39Å; R134-Y152 PolarHBondContact O-N 3.46Å; A136-Y152 HydrophobicContact CB-CD1 4.01Å; A136-Y152 HydrophobicContact CB-CD2 3.63Å; A136-Y152 HydrophobicContact CB-CE1 4.03Å; A136-Y152 HydrophobicContact CB-CE2 3.62Å; A136-Y152 HydrophobicContact CB-CG 3.8Å; Y152-L156 WeakPolarHBondContact O-CB 3.39Å; Y152-L156 PolarHBondContact O-N 3.38Å; Y152-L360 HydrophobicContact CE1-CD2 4.14Å; Y152-G363 WeakPolarHBondContact OH-CA 3.44Å; Y152-A364 PolarHBondContact OH-N 3.32Å; Y152-A364 PolarHBondContact OH-O 3.28Å
153	R	98.9	Very high	97.6	Very high	95 Å²	95	39.4 Å²	39.4	36%	0.358	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-53.5	174.7	-173.7	-172.8	-64.1	132.9	7.2	111.2	P132 D133 T151 L155 L156 E157	P132-R153 HydrophobicContact CB-CB 4.13Å; P132-R153 VanDerWaalsContact CG-NH2 3.27Å; P132-R153 WeakPolarHBondContact O-CB 3.39Å; P132-R153 PolarHBondContact O-N 2.72Å; D133-R153 IonicContact OD1-CZ 2.79Å; D133-R153 VanDerWaalsContact OD1-CZ 3.23Å; D133-R153 IonicContact OD1-NH1 3.29Å; D133-R153 PolarHBondContact OD1-NH1 3.4Å; D133-R153 IonicContact OD1-NH2 3.08Å; D133-R153 PolarHBondContact OD1-NH2 3.11Å; D133-R153 IonicContact OD2-CZ 2.87Å; D133-R153 IonicContact OD2-NH1 3.59Å; D133-R153 IonicContact OD2-NH2 3.81Å; D133-R153 PolarHBondContact OD2-NH2 3.35Å; D133-R153 VanDerWaalsContact OD2-NH2 3.16Å; T151-R153 PolarHBondContact O-N 3.27Å; R153-L155 VanDerWaalsContact C-N 3.29Å; R153-L155 PolarHBondContact O-N 3.26Å; R153-L156 PolarHBondContact O-N 3.5Å; R153-E157 HydrophobicContact CG-CG 4.46Å; R153-E157 WeakPolarHBondContact CG-OE1 3.45Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 2.8Å
154	E	98.9	Very high	97.8	Very high	64 Å²	64	37.4 Å²	37.4	30%	0.299	20%	0.195	S	C	.	.	H	α-helix	trans	-61.3	-38.9	-178.8	-70.6	162.1	146.1	0	0	111.8	V150 T151 E157 T158	V150-E154 HydrophobicContact CG1-CB 3.8Å; T151-E154 WeakPolarHBondContact CB-OE2 3.09Å; T151-E154 WeakPolarHBondContact CG2-OE2 3.49Å; T151-E154 PolarHBondContact N-OE2 3.36Å; T151-E154 PolarHBondContact O-N 2.88Å; T151-E154 WeakPolarHBondContact OG1-CB 3.34Å; T151-E154 VanDerWaalsContact OG1-CD 3.25Å; T151-E154 VanDerWaalsContact OG1-CG 3.24Å; T151-E154 WeakPolarHBondContact OG1-CG 3.49Å; T151-E154 PolarHBondContact OG1-N 3.03Å; T151-E154 PolarHBondContact OG1-OE2 3.15Å; E154-E157 PolarHBondContact O-N 2.96Å; E154-T158 WeakPolarHBondContact O-CB 3.34Å; E154-T158 PolarHBondContact O-N 3.45Å; E154-T158 PolarHBondContact O-OG1 3.49Å
155	L	98.9	Very high	98.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-41.3	176.2	-176.9	56.8	0	0	0	111.8	L124 A136 L137 V150 T151 R153 T158 T159 V188 A189 L192 L360	L124-L155 HydrophobicContact CD2-CB 4.26Å; L124-L155 HydrophobicContact CD2-CD2 3.5Å; L124-L155 HydrophobicContact CD2-CG 3.68Å; A136-L155 HydrophobicContact CB-CD2 3.99Å; L137-L155 HydrophobicContact CD1-CD1 3.8Å; L137-L155 HydrophobicContact CD1-CD2 3.86Å; L137-L155 HydrophobicContact CD1-CG 4.39Å; L137-L155 HydrophobicContact CD2-CD2 4.23Å; L137-L155 HydrophobicContact CG-CD2 3.96Å; V150-L155 HydrophobicContact CG1-CB 4.05Å; T151-L155 WeakPolarHBondContact O-CB 3.42Å; T151-L155 PolarHBondContact O-N 2.74Å; R153-L155 VanDerWaalsContact C-N 3.29Å; R153-L155 PolarHBondContact O-N 3.26Å; L155-T158 PolarHBondContact O-N 3.49Å; L155-T159 VanDerWaalsContact O-CB 3.23Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 PolarHBondContact O-N 3.21Å; L155-T159 PolarHBondContact O-OG1 3.2Å; L155-V188 HydrophobicContact CD1-CG1 4.46Å; L155-A189 HydrophobicContact CD1-CB 4.17Å; L155-L192 HydrophobicContact CD2-CD1 4.24Å; L155-L192 HydrophobicContact CG-CD1 4.47Å; L155-L360 HydrophobicContact CD2-CD1 4.26Å; L155-L360 HydrophobicContact CD2-CD2 4.4Å
156	L	98.9	Very high	98.6	Very high	23 Å²	23	32.7 Å²	32.7	12%	0.12	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-45.6	175.2	178.6	60.6	0	0	0	112.1	L124 D125 V128 Y152 R153 T158 T159 C160	L124-L156 HydrophobicContact CB-CB 4.37Å; L124-L156 HydrophobicContact CB-CD1 4Å; L124-L156 HydrophobicContact CD1-CB 4.46Å; L124-L156 HydrophobicContact CD1-CD1 4.04Å; D125-L156 WeakPolarHBondContact OD2-CD1 3.41Å; V128-L156 HydrophobicContact CB-CD2 4.08Å; V128-L156 HydrophobicContact CG1-CD2 4.05Å; V128-L156 HydrophobicContact CG2-CB 4.02Å; V128-L156 HydrophobicContact CG2-CD2 3.81Å; Y152-L156 WeakPolarHBondContact O-CB 3.39Å; Y152-L156 PolarHBondContact O-N 3.38Å; R153-L156 PolarHBondContact O-N 3.5Å; L156-T158 VanDerWaalsContact C-N 3.35Å; L156-T158 PolarHBondContact O-N 2.66Å; L156-T159 PolarHBondContact O-N 2.91Å; L156-C160 WeakPolarHBondContact O-CB 3.24Å; L156-C160 PolarHBondContact O-N 2.91Å; L156-C160 PolarHBondContact O-SG 3.34Å
157	E	98.9	Very high	98.7	Very high	79 Å²	79	35.6 Å²	35.6	37%	0.369	17%	0.165	S	C	.	.	H	α-helix	trans	-62.1	-43.7	177.9	-68.2	-179.2	-173.4	0	0	111.4	R153 E154 C160 R161 A285	R153-E157 HydrophobicContact CG-CG 4.46Å; R153-E157 WeakPolarHBondContact CG-OE1 3.45Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 2.8Å; E154-E157 PolarHBondContact O-N 2.96Å; E157-C160 PolarHBondContact O-N 3.46Å; E157-R161 WeakPolarHBondContact O-CG 3.23Å; E157-R161 PolarHBondContact O-N 2.96Å; E157-A285 HydrophobicContact CB-CB 4.06Å; E157-A285 HydrophobicContact CG-CB 3.99Å
158	T	98.9	Very high	98.8	Very high	40 Å²	40	39.8 Å²	39.8	25%	0.245	18%	0.178	C	C	.	.	H	α-helix	trans	-62.3	-46.1	176.1	-56.4	0	0	0	0	111	E154 L155 L156 C160 R161 L162 I186 A189 M280	E154-T158 WeakPolarHBondContact O-CB 3.34Å; E154-T158 PolarHBondContact O-N 3.45Å; E154-T158 PolarHBondContact O-OG1 3.49Å; L155-T158 PolarHBondContact O-N 3.49Å; L156-T158 VanDerWaalsContact C-N 3.35Å; L156-T158 PolarHBondContact O-N 2.66Å; T158-C160 VanDerWaalsContact C-N 3.35Å; T158-C160 PolarHBondContact O-N 3.46Å; T158-R161 PolarHBondContact O-N 3.46Å; T158-L162 WeakPolarHBondContact O-CB 3.26Å; T158-L162 PolarHBondContact O-N 2.96Å; T158-I186 HydrophobicContact CG2-CD1 4.2Å; T158-A189 HydrophobicContact CG2-CB 3.77Å; T158-M280 HydrophobicContact CG2-CE 3.77Å; T158-M280 WeakPolarHBondContact O-CE 3.29Å
159	T	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-44	176.6	-62.6	0	0	0	0	111.3	L124 L155 L156 L162 A163 L192 A193	L124-T159 HydrophobicContact CD1-CG2 3.98Å; L155-T159 VanDerWaalsContact O-CB 3.23Å; L155-T159 WeakPolarHBondContact O-CB 3.47Å; L155-T159 PolarHBondContact O-N 3.21Å; L155-T159 PolarHBondContact O-OG1 3.2Å; L156-T159 PolarHBondContact O-N 2.91Å; T159-L162 PolarHBondContact O-N 2.83Å; T159-A163 WeakPolarHBondContact O-CB 3.43Å; T159-A163 PolarHBondContact O-N 2.85Å; T159-L192 HydrophobicContact CG2-CB 3.77Å; T159-A193 HydrophobicContact CG2-CB 4.21Å
160	C	98.9	Very high	98.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-42.9	179.3	-72.4	0	0	0	0	112.5	L156 E157 T158 A163 N164 R196 A285 C287	L156-C160 WeakPolarHBondContact O-CB 3.24Å; L156-C160 PolarHBondContact O-N 2.91Å; L156-C160 PolarHBondContact O-SG 3.34Å; E157-C160 PolarHBondContact O-N 3.46Å; T158-C160 VanDerWaalsContact C-N 3.35Å; T158-C160 PolarHBondContact O-N 3.46Å; C160-A163 PolarHBondContact O-N 3.1Å; C160-N164 WeakPolarHBondContact O-CB 3.33Å; C160-N164 PolarHBondContact O-N 3.3Å; C160-N164 PolarHBondContact O-ND2 2.91Å; C160-R196 PolarHBondContact SG-NE 3.06Å; C160-A285 VanDerWaalsContact CB-C 3.5Å; C160-A285 WeakPolarHBondContact CB-O 3.47Å; C160-C287 HydrophobicContact CB-CB 3.74Å
161	R	98.9	Very high	98.8	Very high	74 Å²	74	35.6 Å²	35.6	28%	0.279	16%	0.164	S	C	.	.	H	α-helix	trans	-60.7	-48.1	175.6	-72.7	172.1	-176.1	-79.7	-3.5	110.6	E157 T158 A163 N164 T165 M280 E283 S284	E157-R161 WeakPolarHBondContact O-CG 3.23Å; E157-R161 PolarHBondContact O-N 2.96Å; T158-R161 PolarHBondContact O-N 3.46Å; R161-A163 PolarHBondContact O-N 2.95Å; R161-N164 PolarHBondContact O-N 2.96Å; R161-T165 PolarHBondContact O-N 3.05Å; R161-T165 PolarHBondContact O-OG1 3.4Å; R161-M280 HydrophobicContact CB-CB 4.25Å; R161-M280 HydrophobicContact CB-CE 4Å; R161-M280 HydrophobicContact CB-CG 4.47Å; R161-M280 PolarHBondContact NH1-O 3.48Å; R161-E283 HydrophobicContact CB-CB 4.25Å; R161-E283 HydrophobicContact CG-CB 4.38Å; R161-E283 PolarHBondContact NH1-O 3.27Å; R161-S284 WeakPolarHBondContact CG-O 3.29Å
162	L	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-43.7	178.3	-176.6	53.3	0	0	0	112	T158 T159 N164 T165 L166 I186 A189 A190 A193 L276 M280	T158-L162 WeakPolarHBondContact O-CB 3.26Å; T158-L162 PolarHBondContact O-N 2.96Å; T159-L162 PolarHBondContact O-N 2.83Å; L162-N164 VanDerWaalsContact C-N 3.35Å; L162-N164 PolarHBondContact O-N 3.39Å; L162-T165 WeakPolarHBondContact O-CB 3.45Å; L162-T165 PolarHBondContact O-N 2.8Å; L162-L166 HydrophobicContact CD1-CG 4.45Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.19Å; L162-I186 HydrophobicContact CD2-CD1 4.29Å; L162-A189 HydrophobicContact CD2-CB 4.33Å; L162-A190 HydrophobicContact CD2-CB 3.78Å; L162-A193 HydrophobicContact CB-CB 4.02Å; L162-A193 HydrophobicContact CD2-CB 4.13Å; L162-A193 HydrophobicContact CG-CB 3.85Å; L162-L276 HydrophobicContact CD1-CD1 3.59Å; L162-L276 HydrophobicContact CD1-CD2 4.23Å; L162-L276 HydrophobicContact CD1-CG 4.37Å; L162-M280 HydrophobicContact CB-CE 3.96Å; L162-M280 HydrophobicContact CB-SD 4.06Å; L162-M280 HydrophobicContact CD1-CG 4.45Å; L162-M280 HydrophobicContact CD1-SD 3.96Å; L162-M280 HydrophobicContact CG-SD 4.49Å
163	A	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-57.3	-45.8	174.5	0	0	0	0	0	112.3	T159 C160 R161 L166 K167 A193 I197 C287	T159-A163 WeakPolarHBondContact O-CB 3.43Å; T159-A163 PolarHBondContact O-N 2.85Å; C160-A163 PolarHBondContact O-N 3.1Å; R161-A163 PolarHBondContact O-N 2.95Å; A163-L166 PolarHBondContact O-N 2.89Å; A163-K167 WeakPolarHBondContact O-CG 3.24Å; A163-K167 PolarHBondContact O-N 3.08Å; A163-A193 HydrophobicContact CB-CB 4.02Å; A163-I197 HydrophobicContact CB-CG2 3.63Å; A163-C287 HydrophobicContact CB-CB 4.23Å
164	N	98.9	Very high	98.7	Very high	26 Å²	26	40 Å²	40	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-39.4	175.7	-72.4	-31.4	0	0	0	111.9	C160 R161 L162 L166 K167 R168 E283 S284 Q286 C287	C160-N164 WeakPolarHBondContact O-CB 3.33Å; C160-N164 PolarHBondContact O-N 3.3Å; C160-N164 PolarHBondContact O-ND2 2.91Å; R161-N164 PolarHBondContact O-N 2.96Å; L162-N164 VanDerWaalsContact C-N 3.35Å; L162-N164 PolarHBondContact O-N 3.39Å; N164-L166 PolarHBondContact O-N 3.33Å; N164-K167 PolarHBondContact O-N 3.36Å; N164-R168 WeakPolarHBondContact O-CB 3.5Å; N164-R168 PolarHBondContact O-N 3.36Å; N164-E283 HydrophobicContact CB-CB 3.95Å; N164-E283 HydrophobicContact CB-CG 3.95Å; N164-E283 WeakPolarHBondContact CB-OE2 3.43Å; N164-S284 PolarHBondContact ND2-O 3.39Å; N164-Q286 PolarHBondContact ND2-O 2.81Å; N164-C287 PolarHBondContact OD1-SG 2.99Å
165	T	98.9	Very high	98.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-46.5	173.9	-62	0	0	0	0	111.1	R161 L162 R168 H169 F258 L276 A279 M280 E283	R161-T165 PolarHBondContact O-N 3.05Å; R161-T165 PolarHBondContact O-OG1 3.4Å; L162-T165 WeakPolarHBondContact O-CB 3.45Å; L162-T165 PolarHBondContact O-N 2.8Å; T165-R168 PolarHBondContact O-N 3.42Å; T165-H169 PolarHBondContact O-N 2.86Å; T165-H169 PolarHBondContact O-ND1 2.82Å; T165-F258 HydrophobicContact CG2-CD1 4.18Å; T165-F258 HydrophobicContact CG2-CE1 3.76Å; T165-L276 HydrophobicContact CG2-CD1 4.32Å; T165-A279 HydrophobicContact CG2-CB 3.79Å; T165-M280 WeakPolarHBondContact OG1-CA 3.44Å; T165-M280 WeakPolarHBondContact OG1-CG 3.25Å; T165-E283 VanDerWaalsContact OG1-CG 3.22Å; T165-E283 WeakPolarHBondContact OG1-CG 3.48Å
166	L	98.9	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-45.7	177.1	-67.4	178.3	0	0	0	111.4	L162 A163 N164 R168 H169 G170 V171 A193 I197 I226 F258	L162-L166 HydrophobicContact CD1-CG 4.45Å; L162-L166 WeakPolarHBondContact O-CG 3.41Å; L162-L166 PolarHBondContact O-N 3.19Å; A163-L166 PolarHBondContact O-N 2.89Å; N164-L166 PolarHBondContact O-N 3.33Å; L166-R168 PolarHBondContact O-N 3.11Å; L166-H169 CarbonylContact O-C 3.54Å; L166-H169 PolarHBondContact O-N 3.1Å; L166-G170 PolarHBondContact O-N 3.48Å; L166-V171 HydrophobicContact CB-CB 3.98Å; L166-V171 HydrophobicContact CB-CG1 4.47Å; L166-V171 HydrophobicContact CB-CG2 4.12Å; L166-V171 HydrophobicContact CD2-CG2 4.3Å; L166-V171 WeakPolarHBondContact O-CB 3.38Å; L166-V171 PolarHBondContact O-N 3.13Å; L166-A193 HydrophobicContact CD1-CB 4.37Å; L166-I197 HydrophobicContact CB-CD1 3.91Å; L166-I197 HydrophobicContact CD1-CD1 4.29Å; L166-I226 HydrophobicContact CD2-CD1 4.18Å; L166-F258 HydrophobicContact CD2-CD2 3.87Å; L166-F258 HydrophobicContact CD2-CE1 4.44Å; L166-F258 HydrophobicContact CD2-CE2 3.42Å; L166-F258 VanDerWaalsContact CD2-CE2 3.42Å; L166-F258 HydrophobicContact CD2-CZ 3.74Å
167	K	98.7	Very high	98.6	Very high	102 Å²	102	39.2 Å²	39.2	44%	0.443	19%	0.192	S	C	.	.	H	α-helix	trans	-61.9	-42.8	177	-71.8	177.5	68.1	170.4	0	112.6	A163 N164 H169 G170 I197	A163-K167 WeakPolarHBondContact O-CG 3.24Å; A163-K167 PolarHBondContact O-N 3.08Å; N164-K167 PolarHBondContact O-N 3.36Å; K167-H169 PolarHBondContact O-N 3.45Å; K167-G170 PolarHBondContact O-N 3.1Å; K167-I197 HydrophobicContact CD-CB 4.35Å; K167-I197 HydrophobicContact CD-CG2 3.77Å; K167-I197 HydrophobicContact CG-CB 4.4Å; K167-I197 HydrophobicContact CG-CD1 4.04Å; K167-I197 HydrophobicContact CG-CG2 4.08Å
168	R	98.4	Very high	98.6	Very high	145 Å²	145	35.5 Å²	35.5	55%	0.547	18%	0.175	S	C	.	.	H	α-helix	trans	-58.8	-32.9	177.1	-177.7	178.4	-68.6	172.7	8	111.8	N164 T165 L166 G170 S282 E283	N164-R168 WeakPolarHBondContact O-CB 3.5Å; N164-R168 PolarHBondContact O-N 3.36Å; T165-R168 PolarHBondContact O-N 3.42Å; L166-R168 PolarHBondContact O-N 3.11Å; R168-G170 VanDerWaalsContact C-N 3.29Å; R168-S282 PolarHBondContact NH2-O 3.4Å; R168-E283 WeakPolarHBondContact CD-OE1 3.35Å; R168-E283 IonicContact CZ-OE1 2.96Å; R168-E283 IonicContact CZ-OE2 2.93Å; R168-E283 IonicContact NE-OE1 3.74Å; R168-E283 PolarHBondContact NE-OE1 3.31Å; R168-E283 IonicContact NE-OE2 2.81Å; R168-E283 IonicContact NH1-OE1 2.73Å; R168-E283 PolarHBondContact NH1-OE1 2.73Å; R168-E283 IonicContact NH2-OE1 3.37Å; R168-E283 PolarHBondContact NH2-OE1 3.31Å; R168-E283 VanDerWaalsContact NH2-OE1 3.08Å; R168-E283 IonicContact NH2-OE2 3.45Å; R168-E283 PolarHBondContact NH2-OE2 3.14Å
169	H	98.5	Very high	98.6	Very high	47 Å²	47	33.6 Å²	33.6	22%	0.218	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	24.7	176.5	-62.7	90.2	0	0	0	112.3	T165 L166 K167 V171 H256 F258 I274	T165-H169 PolarHBondContact O-N 2.86Å; T165-H169 PolarHBondContact O-ND1 2.82Å; L166-H169 CarbonylContact O-C 3.54Å; L166-H169 PolarHBondContact O-N 3.1Å; K167-H169 PolarHBondContact O-N 3.45Å; H169-V171 PolarHBondContact O-N 3.26Å; H169-H256 PolarHBondContact O-CD2 3.16Å; H169-H256 PolarHBondContact O-NE2 2.94Å; H169-F258 HydrophobicContact CB-CE1 4.3Å; H169-F258 HydrophobicContact CB-CZ 3.79Å; H169-F258 AromaticContact ND1-CE1 3.84Å; H169-I274 HydrophobicContact CB-CD1 4.37Å; H169-I274 WeakPolarHBondContact CD2-CD1 3.37Å; H169-I274 WeakPolarHBondContact NE2-CD1 3.44Å
170	G	98	Very high	98.6	Very high	26 Å²	26	33.7 Å²	33.7	27%	0.268	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	11.7	166.5	0	0	0	0	0	116	L166 K167 R168 N172 K223	L166-G170 PolarHBondContact O-N 3.48Å; K167-G170 PolarHBondContact O-N 3.1Å; R168-G170 VanDerWaalsContact C-N 3.29Å; G170-N172 PolarHBondContact O-N 3.48Å; G170-N172 PolarHBondContact O-ND2 2.91Å; G170-N172 VanDerWaalsContact O-ND2 3.13Å; G170-K223 WeakPolarHBondContact O-CE 3.2Å; G170-K223 PolarHBondContact O-NZ 2.86Å
171	V	98.7	Very high	98.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.163	C	C	.	.			trans	-73.9	120.7	171.3	-179.2	0	0	0	0	109.4	L166 H169 D175 V177 I197 A199 A224	L166-V171 HydrophobicContact CB-CB 3.98Å; L166-V171 HydrophobicContact CB-CG1 4.47Å; L166-V171 HydrophobicContact CB-CG2 4.12Å; L166-V171 HydrophobicContact CD2-CG2 4.3Å; L166-V171 WeakPolarHBondContact O-CB 3.38Å; L166-V171 PolarHBondContact O-N 3.13Å; H169-V171 PolarHBondContact O-N 3.26Å; V171-D175 HydrophobicContact CG1-CB 4.1Å; V171-V177 HydrophobicContact CG1-CG2 3.8Å; V171-V177 HydrophobicContact CG2-CG2 4.41Å; V171-I197 HydrophobicContact CB-CD1 4.47Å; V171-I197 HydrophobicContact CG1-CD1 4.05Å; V171-A199 HydrophobicContact CG1-CB 3.81Å; V171-A224 HydrophobicContact CG2-CB 4.33Å
172	N	97.8	Very high	98	Very high	95 Å²	95	31 Å²	31	51%	0.508	16%	0.155	S	C	.	.			trans	-113.1	172.1	-179.1	-58.1	-60.6	0	0	0	112	G170 G174 D175	G170-N172 PolarHBondContact O-N 3.48Å; G170-N172 PolarHBondContact O-ND2 2.91Å; G170-N172 VanDerWaalsContact O-ND2 3.13Å; N172-G174 PolarHBondContact O-N 3Å; N172-D175 PolarHBondContact N-OD2 3.34Å; N172-D175 VanDerWaalsContact O-CB 3.31Å; N172-D175 WeakPolarHBondContact O-CB 3.43Å; N172-D175 PolarHBondContact O-N 3.27Å
173	K	98.4	Very high	97.7	Very high	84 Å²	84	31.2 Å²	31.2	37%	0.365	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	130.9	169.4	179.3	175.9	178.9	164.2	0	110.5	D175 G198 E290 P291 M292 E296	K173-D175 VanDerWaalsContact C-N 3.29Å; K173-D175 PolarHBondContact O-N 2.89Å; K173-G198 WeakPolarHBondContact CA-O 3.48Å; K173-E290 HydrophobicContact CD-CG 3.94Å; K173-P291 PolarHBondContact NZ-O 3.29Å; K173-M292 HydrophobicContact CD-CE 4.36Å; K173-M292 HydrophobicContact CD-SD 3.95Å; K173-M292 WeakPolarHBondContact CE-SD 3.14Å; K173-M292 HydrophobicContact CG-CE 4.21Å; K173-M292 HydrophobicContact CG-SD 4.2Å; K173-E296 VanDerWaalsContact CE-CD 3.41Å; K173-E296 WeakPolarHBondContact CE-OE1 3.27Å; K173-E296 WeakPolarHBondContact CE-OE2 3.49Å; K173-E296 VanDerWaalsContact NZ-CD 3.26Å; K173-E296 IonicContact NZ-OE1 2.76Å; K173-E296 PolarHBondContact NZ-OE1 3.47Å; K173-E296 IonicContact NZ-OE2 2.92Å; K173-E296 PolarHBondContact NZ-OE2 3.43Å
174	G	97.6	Very high	97.6	Very high	30 Å²	30	31.5 Å²	31.5	31%	0.309	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-11	-178	0	0	0	0	0	115.5	N172 R176 G198	N172-G174 PolarHBondContact O-N 3Å; G174-R176 WeakPolarHBondContact O-CD 3.13Å; G174-R176 PolarHBondContact O-NH1 3.34Å; G174-G198 PolarHBondContact N-O 2.89Å
175	D	98.6	Very high	97.6	Very high	30 Å²	30	31.3 Å²	31.3	16%	0.16	16%	0.159	C	C	.	.			trans	-68.2	146.4	172.6	-76	-27.4	0	0	0	110.6	V171 N172 K173 A199 V200 K223	V171-D175 HydrophobicContact CG1-CB 4.1Å; N172-D175 PolarHBondContact N-OD2 3.34Å; N172-D175 VanDerWaalsContact O-CB 3.31Å; N172-D175 WeakPolarHBondContact O-CB 3.43Å; N172-D175 PolarHBondContact O-N 3.27Å; K173-D175 VanDerWaalsContact C-N 3.29Å; K173-D175 PolarHBondContact O-N 2.89Å; D175-A199 CarbonylContact O-C 3.47Å; D175-A199 WeakPolarHBondContact O-CA 3.32Å; D175-V200 PolarHBondContact O-N 3.47Å; D175-K223 HydrophobicContact CB-CD 4.2Å; D175-K223 VanDerWaalsContact OD2-CD 3.24Å; D175-K223 WeakPolarHBondContact OD2-CD 3.21Å; D175-K223 IonicContact OD2-NZ 3.83Å; D175-K223 PolarHBondContact OD2-NZ 3.16Å
176	R	98.4	Very high	97.6	Very high	43 Å²	43	32.9 Å²	32.9	16%	0.162	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.9	-179.9	-76.2	73.1	62.2	-145	1.7	111.4	G174 V200 A220 Q221 C222 K223 M300	G174-R176 WeakPolarHBondContact O-CD 3.13Å; G174-R176 PolarHBondContact O-NH1 3.34Å; R176-V200 CarbonylContact C-O 3.52Å; R176-V200 VanDerWaalsContact CA-O 3.24Å; R176-V200 WeakPolarHBondContact CA-O 3.28Å; R176-V200 HydrophobicContact CG-CB 4.07Å; R176-V200 HydrophobicContact CG-CG1 4.35Å; R176-A220 WeakPolarHBondContact CB-O 3.23Å; R176-A220 VanDerWaalsContact CG-O 3.26Å; R176-A220 WeakPolarHBondContact CG-O 3.37Å; R176-A220 PolarHBondContact NE-O 3.46Å; R176-Q221 PolarHBondContact NH2-O 3.05Å; R176-C222 HydrophobicContact CB-CB 4.43Å; R176-C222 CarbonylContact O-C 3.36Å; R176-C222 WeakPolarHBondContact O-CA 3.48Å; R176-K223 PolarHBondContact O-N 3.48Å; R176-M300 HydrophobicContact CB-CE 4.38Å; R176-M300 HydrophobicContact CG-CE 3.47Å; R176-M300 VanDerWaalsContact CG-CE 3.47Å
177	V	98.9	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.1	179.4	-177.3	0	0	0	0	109.5	V171 A199 V200 H201 T202 A224 I226	V171-V177 HydrophobicContact CG1-CG2 3.8Å; V171-V177 HydrophobicContact CG2-CG2 4.41Å; V177-A199 HydrophobicContact CG2-CB 4.4Å; V177-V200 PolarHBondContact N-O 3.43Å; V177-H201 CarbonylContact O-C 3.56Å; V177-H201 WeakPolarHBondContact O-CA 3.43Å; V177-T202 PolarHBondContact O-N 3.39Å; V177-A224 HydrophobicContact CG1-CB 4.38Å; V177-I226 HydrophobicContact CG1-CD1 3.73Å; V177-I226 HydrophobicContact CG1-CG1 3.85Å
178	A	98.7	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	133.9	173.9	0	0	0	0	0	110.2	T202 I217 C222 A224 V225 I226	A178-T202 WeakPolarHBondContact CA-O 3.43Å; A178-T202 HydrophobicContact CB-CG2 4.15Å; A178-I217 HydrophobicContact CB-CG1 3.98Å; A178-C222 HydrophobicContact CB-CB 4.27Å; A178-A224 PolarHBondContact N-O 3.12Å; A178-V225 HydrophobicContact CB-CG1 4.43Å; A178-V225 HydrophobicContact CB-CG2 4.24Å; A178-V225 CarbonylContact O-C 3.45Å; A178-V225 WeakPolarHBondContact O-CA 3.34Å; A178-I226 PolarHBondContact O-N 3.3Å
179	I	98.8	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	110.6	174.5	-57.6	173.1	0	0	0	107.5	M181 A190 M191 H201 T202 V203 V204 I226	I179-M181 HydrophobicContact CG2-CB 4.25Å; I179-M181 HydrophobicContact CG2-CG 4.17Å; I179-A190 HydrophobicContact CD1-CB 3.78Å; I179-A190 HydrophobicContact CG1-CB 4.33Å; I179-M191 HydrophobicContact CD1-CB 4.49Å; I179-M191 HydrophobicContact CD1-CG 3.79Å; I179-H201 HydrophobicContact CD1-CB 3.79Å; I179-H201 HydrophobicContact CG1-CB 4.46Å; I179-T202 PolarHBondContact N-O 3.24Å; I179-V203 HydrophobicContact CB-CG1 4.48Å; I179-V203 HydrophobicContact CB-CG2 4.3Å; I179-V203 HydrophobicContact CD1-CG2 4.35Å; I179-V203 WeakPolarHBondContact O-CA 3.21Å; I179-V204 PolarHBondContact O-N 3.16Å; I179-I226 HydrophobicContact CG1-CD1 4.45Å
180	Y	97.8	Very high	97.6	Very high	3 Å²	3	18.9 Å²	18.9	1%	0.012	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	71.9	179.3	-171.5	-108.1	0	0	0	109.4	V204 F205 A206 F208 L213 I226 T227 L240 T243 V244	Y180-V204 HydrophobicContact CD2-CB 4.03Å; Y180-V204 HydrophobicContact CD2-CG1 3.97Å; Y180-V204 HydrophobicContact CE2-CG1 4.28Å; Y180-F205 WeakPolarHBondContact CE2-O 3.45Å; Y180-A206 PolarHBondContact OH-O 3.45Å; Y180-F208 HydrophobicContact CE2-CB 4.43Å; Y180-F208 PolarHBondContact OH-N 2.89Å; Y180-F208 PolarHBondContact OH-O 2.92Å; Y180-L213 HydrophobicContact CD1-CD2 4.05Å; Y180-L213 HydrophobicContact CD2-CD1 3.82Å; Y180-L213 HydrophobicContact CD2-CD2 4.07Å; Y180-L213 HydrophobicContact CD2-CG 4.46Å; Y180-L213 HydrophobicContact CE1-CD2 4.31Å; Y180-L213 HydrophobicContact CE2-CD1 4.46Å; Y180-L213 HydrophobicContact CE2-CD2 4.32Å; Y180-L213 HydrophobicContact CG-CD1 4.13Å; Y180-L213 HydrophobicContact CG-CD2 3.93Å; Y180-I226 PolarHBondContact N-O 2.94Å; Y180-T227 WeakPolarHBondContact O-CA 3.44Å; Y180-T227 PolarHBondContact O-OG1 3.34Å; Y180-L240 HydrophobicContact CD1-CB 4.32Å; Y180-L240 HydrophobicContact CD1-CD2 4.48Å; Y180-L240 HydrophobicContact CE1-CB 4.08Å; Y180-L240 HydrophobicContact CE1-CD2 3.7Å; Y180-L240 HydrophobicContact CE1-CG 4.38Å; Y180-T243 HydrophobicContact CE1-CG2 4.14Å; Y180-V244 HydrophobicContact CD1-CG2 3.63Å; Y180-V244 HydrophobicContact CE1-CG2 4.31Å; Y180-V244 HydrophobicContact CG-CG2 4.39Å
181	M	94.4	Very high	97.7	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.097	C	C	.	.			trans	-137.4	148.4	-174.1	-62.1	-168.9	77.7	0	0	111.4	I179 I186 A187 I226 C228 A260	I179-M181 HydrophobicContact CG2-CB 4.25Å; I179-M181 HydrophobicContact CG2-CG 4.17Å; M181-I186 HydrophobicContact CE-CG2 3.34Å; M181-I186 HydrophobicContact SD-CG2 4.14Å; M181-A187 HydrophobicContact CB-CB 3.94Å; M181-A187 HydrophobicContact SD-CB 4.32Å; M181-I226 HydrophobicContact SD-CG2 3.72Å; M181-C228 HydrophobicContact CE-CB 3.78Å; M181-A260 HydrophobicContact CE-CB 3.84Å
182	P	90.9	Very high	97.7	Very high	17 Å²	17	17.6 Å²	17.6	11%	0.11	10%	0.096	C	C	.	.			trans	-64.8	162.8	164.4	-15.1	31	0	0	0	110.7	S184 A206 L240	P182-S184 PolarHBondContact O-N 3.46Å; P182-S184 VanDerWaalsContact O-N 3.16Å; P182-S184 PolarHBondContact O-OG 2.96Å; P182-S184 VanDerWaalsContact O-OG 3.14Å; P182-A206 HydrophobicContact CG-CB 4.21Å; P182-L240 HydrophobicContact CG-CD1 3.92Å
183	V	93.3	Very high	97.7	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.024	7%	0.072	C	C	.	.	S	Bend	trans	-59	119.7	175.5	67.8	0	0	0	0	110.9	W139 I346 V355 L368 F369	W139-V183 PolarHBondContact NE1-O 2.96Å; V183-I346 HydrophobicContact CB-CG1 4.29Å; V183-I346 HydrophobicContact CB-CG2 4.33Å; V183-I346 HydrophobicContact CG2-CG2 3.75Å; V183-V355 HydrophobicContact CG2-CG1 4.37Å; V183-L368 HydrophobicContact CG2-CB 3.91Å; V183-L368 HydrophobicContact CG2-CD2 3.84Å; V183-L368 HydrophobicContact CG2-CG 4.32Å; V183-F369 WeakPolarHBondContact CG1-O 3.21Å
184	S	97.6	Very high	97.8	Very high	6 Å²	6	9.1 Å²	9.1	4%	0.042	6%	0.055	C	C	.	.	S	Bend	trans	-164.1	160.6	-174.1	57.9	0	0	0	0	110.5	P182 I186 A187 V188 L368	P182-S184 PolarHBondContact O-N 3.46Å; P182-S184 VanDerWaalsContact O-N 3.16Å; P182-S184 PolarHBondContact O-OG 2.96Å; P182-S184 VanDerWaalsContact O-OG 3.14Å; S184-I186 VanDerWaalsContact C-N 3.25Å; S184-I186 PolarHBondContact O-N 2.96Å; S184-I186 WeakPolarHBondContact OG-CG2 3.5Å; S184-A187 PolarHBondContact O-N 3.46Å; S184-A187 VanDerWaalsContact O-N 3.12Å; S184-A187 WeakPolarHBondContact OG-CB 3.47Å; S184-A187 PolarHBondContact OG-N 3.48Å; S184-V188 PolarHBondContact O-N 2.93Å; S184-V188 VanDerWaalsContact O-N 3.1Å; S184-L368 VanDerWaalsContact C-CD1 3.46Å
185	P	98.6	Very high	97.8	Very high	22 Å²	22	7.7 Å²	7.7	14%	0.143	4%	0.04	C	C	.	.	H	α-helix	trans	-56.7	-37.9	178	-28.4	36	0	0	0	113.6	L137 W139 V150 V188 A189 L368	L137-P185 HydrophobicContact CD1-CB 4.14Å; W139-P185 HydrophobicContact CB-CG 3.83Å; W139-P185 HydrophobicContact CD2-CG 4.03Å; W139-P185 HydrophobicContact CE3-CG 3.91Å; W139-P185 HydrophobicContact CG-CG 4.04Å; V150-P185 HydrophobicContact CG2-CB 4.07Å; V150-P185 HydrophobicContact CG2-CG 3.98Å; P185-V188 PolarHBondContact O-N 2.91Å; P185-A189 WeakPolarHBondContact O-CB 3.29Å; P185-A189 PolarHBondContact O-N 3.22Å; P185-L368 HydrophobicContact CG-CD1 4.26Å
186	I	98.5	Very high	97.8	Very high	34 Å²	34	6.6 Å²	6.6	17%	0.174	3%	0.034	C	C	.	.	H	α-helix	trans	-69.3	-35.2	179	-166.3	65	0	0	0	111.9	T158 L162 M181 S184 A189 A190 L276 M280	T158-I186 HydrophobicContact CG2-CD1 4.2Å; L162-I186 HydrophobicContact CD2-CD1 4.29Å; M181-I186 HydrophobicContact CE-CG2 3.34Å; M181-I186 HydrophobicContact SD-CG2 4.14Å; S184-I186 VanDerWaalsContact C-N 3.25Å; S184-I186 PolarHBondContact O-N 2.96Å; S184-I186 WeakPolarHBondContact OG-CG2 3.5Å; I186-A189 PolarHBondContact O-N 3.26Å; I186-A190 WeakPolarHBondContact O-CB 3.28Å; I186-A190 PolarHBondContact O-N 3.33Å; I186-L276 HydrophobicContact CD1-CD2 4.19Å; I186-L276 HydrophobicContact CG1-CD2 3.99Å; I186-M280 HydrophobicContact CD1-CE 4.08Å; I186-M280 HydrophobicContact CD1-SD 3.92Å
187	A	98.6	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.7	-39.5	176.1	0	0	0	0	0	111.6	M181 S184 A190 M191 I346	M181-A187 HydrophobicContact CB-CB 3.94Å; M181-A187 HydrophobicContact SD-CB 4.32Å; S184-A187 PolarHBondContact O-N 3.46Å; S184-A187 VanDerWaalsContact O-N 3.12Å; S184-A187 WeakPolarHBondContact OG-CB 3.47Å; S184-A187 PolarHBondContact OG-N 3.48Å; A187-A190 WeakPolarHBondContact O-CB 3.34Å; A187-A190 PolarHBondContact O-N 2.78Å; A187-M191 WeakPolarHBondContact O-CG 3.11Å; A187-M191 PolarHBondContact O-N 3.23Å; A187-M191 VanDerWaalsContact O-N 3.11Å; A187-I346 HydrophobicContact CB-CD1 3.41Å; A187-I346 VanDerWaalsContact CB-CD1 3.41Å
188	V	98.9	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-63.5	-46.2	171.9	176.4	0	0	0	0	110.8	L137 L155 S184 P185 A190 M191 L192 V356 L360 L368	L137-V188 HydrophobicContact CD1-CB 4.22Å; L137-V188 HydrophobicContact CD1-CG1 4.2Å; L137-V188 HydrophobicContact CD2-CG1 4.29Å; L155-V188 HydrophobicContact CD1-CG1 4.46Å; S184-V188 PolarHBondContact O-N 2.93Å; S184-V188 VanDerWaalsContact O-N 3.1Å; P185-V188 PolarHBondContact O-N 2.91Å; V188-A190 PolarHBondContact O-N 2.79Å; V188-M191 PolarHBondContact O-N 3.31Å; V188-L192 HydrophobicContact CG1-CD1 3.93Å; V188-L192 WeakPolarHBondContact O-CG 3.21Å; V188-L192 PolarHBondContact O-N 3.42Å; V188-V356 HydrophobicContact CG1-CG1 4.12Å; V188-V356 HydrophobicContact CG1-CG2 4.36Å; V188-V356 HydrophobicContact CG2-CG2 3.97Å; V188-L360 HydrophobicContact CG1-CD1 4.05Å; V188-L368 HydrophobicContact CG2-CD1 3.9Å; V188-L368 HydrophobicContact CG2-CD2 3.97Å
189	A	98.9	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-60.3	-34.8	175.2	0	0	0	0	0	111.9	L155 T158 L162 P185 I186 L192 A193	L155-A189 HydrophobicContact CD1-CB 4.17Å; T158-A189 HydrophobicContact CG2-CB 3.77Å; L162-A189 HydrophobicContact CD2-CB 4.33Å; P185-A189 WeakPolarHBondContact O-CB 3.29Å; P185-A189 PolarHBondContact O-N 3.22Å; I186-A189 PolarHBondContact O-N 3.26Å; A189-L192 PolarHBondContact O-N 3.42Å; A189-A193 WeakPolarHBondContact O-CA 3.38Å; A189-A193 WeakPolarHBondContact O-CB 3.42Å; A189-A193 PolarHBondContact O-N 2.83Å
190	A	98.9	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-66	-44.7	176.5	0	0	0	0	0	112.7	L162 I179 I186 A187 V188 L192 A193 C194 I226	L162-A190 HydrophobicContact CD2-CB 3.78Å; I179-A190 HydrophobicContact CD1-CB 3.78Å; I179-A190 HydrophobicContact CG1-CB 4.33Å; I186-A190 WeakPolarHBondContact O-CB 3.28Å; I186-A190 PolarHBondContact O-N 3.33Å; A187-A190 WeakPolarHBondContact O-CB 3.34Å; A187-A190 PolarHBondContact O-N 2.78Å; V188-A190 PolarHBondContact O-N 2.79Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 3.25Å; A190-A193 PolarHBondContact O-N 3.49Å; A190-C194 PolarHBondContact O-N 3.41Å; A190-C194 PolarHBondContact O-SG 2.73Å; A190-I226 HydrophobicContact CB-CD1 3.79Å
191	M	98.9	Very high	97.9	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.6	-46	174.2	-65.6	169.8	70.3	0	0	111.1	I179 A187 V188 A195 V203 H352 V356 Y357	I179-M191 HydrophobicContact CD1-CB 4.49Å; I179-M191 HydrophobicContact CD1-CG 3.79Å; A187-M191 WeakPolarHBondContact O-CG 3.11Å; A187-M191 PolarHBondContact O-N 3.23Å; A187-M191 VanDerWaalsContact O-N 3.11Å; V188-M191 PolarHBondContact O-N 3.31Å; M191-A195 PolarHBondContact O-N 2.78Å; M191-A195 VanDerWaalsContact O-N 3.11Å; M191-V203 HydrophobicContact CE-CG2 4.3Å; M191-V203 HydrophobicContact CG-CG2 4.01Å; M191-V203 HydrophobicContact SD-CG2 4.1Å; M191-H352 HydrophobicContact CE-CB 4.5Å; M191-V356 HydrophobicContact CE-CB 4.27Å; M191-V356 HydrophobicContact CE-CG1 4.31Å; M191-V356 HydrophobicContact CE-CG2 4.11Å; M191-V356 HydrophobicContact SD-CG2 3.97Å; M191-Y357 HydrophobicContact CE-CE2 3.86Å
192	L	98.9	Very high	98.1	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-71.8	-33	-179.8	-63.7	172.8	0	0	0	112.3	C123 L124 L155 T159 V188 A189 A190 A195 R196 V356 Y357 L360	C123-L192 HydrophobicContact CB-CD2 4.06Å; L124-L192 HydrophobicContact CD1-CB 4.37Å; L124-L192 HydrophobicContact CD1-CD1 3.89Å; L124-L192 HydrophobicContact CD2-CD1 3.99Å; L124-L192 HydrophobicContact CG-CD1 4.09Å; L155-L192 HydrophobicContact CD2-CD1 4.24Å; L155-L192 HydrophobicContact CG-CD1 4.47Å; T159-L192 HydrophobicContact CG2-CB 3.77Å; V188-L192 HydrophobicContact CG1-CD1 3.93Å; V188-L192 WeakPolarHBondContact O-CG 3.21Å; V188-L192 PolarHBondContact O-N 3.42Å; A189-L192 PolarHBondContact O-N 3.42Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 3.25Å; L192-A195 PolarHBondContact O-N 2.62Å; L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.49Å; L192-R196 PolarHBondContact O-N 2.76Å; L192-V356 HydrophobicContact CD2-CG1 4.48Å; L192-Y357 HydrophobicContact CD2-CE1 4.14Å; L192-L360 HydrophobicContact CD1-CD1 3.9Å
193	A	98.9	Very high	98.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.5	-42.1	177	0	0	0	0	0	110.8	T159 L162 A163 L166 A189 A190 R196 I197	T159-A193 HydrophobicContact CG2-CB 4.21Å; L162-A193 HydrophobicContact CB-CB 4.02Å; L162-A193 HydrophobicContact CD2-CB 4.13Å; L162-A193 HydrophobicContact CG-CB 3.85Å; A163-A193 HydrophobicContact CB-CB 4.02Å; L166-A193 HydrophobicContact CD1-CB 4.37Å; A189-A193 WeakPolarHBondContact O-CA 3.38Å; A189-A193 WeakPolarHBondContact O-CB 3.42Å; A189-A193 PolarHBondContact O-N 2.83Å; A190-A193 PolarHBondContact O-N 3.49Å; A193-R196 WeakPolarHBondContact O-CB 3.48Å; A193-R196 PolarHBondContact O-N 3.48Å; A193-I197 WeakPolarHBondContact O-CG1 3.24Å; A193-I197 PolarHBondContact O-N 3.11Å
194	C	98.9	Very high	98	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.8	-50.9	172.5	-65.5	0	0	0	0	110.6	A190 R196 I197 G198 A199 H201	A190-C194 PolarHBondContact O-N 3.41Å; A190-C194 PolarHBondContact O-SG 2.73Å; C194-R196 VanDerWaalsContact C-N 3.25Å; C194-R196 PolarHBondContact O-N 3.44Å; C194-I197 PolarHBondContact O-N 3.33Å; C194-G198 PolarHBondContact O-N 3.27Å; C194-G198 VanDerWaalsContact O-N 3.07Å; C194-A199 CarbonylContact C-O 3.55Å; C194-A199 HydrophobicContact CB-CB 4.11Å; C194-A199 PolarHBondContact O-N 2.94Å; C194-A199 VanDerWaalsContact O-O 3.12Å; C194-H201 HydrophobicContact CB-CB 3.87Å
195	A	98.9	Very high	97.3	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.2	-35.2	176.7	0	0	0	0	0	112.9	N118 V119 M191 L192 G198 L298	N118-A195 PolarHBondContact ND2-O 3.44Å; N118-A195 VanDerWaalsContact ND2-O 3.11Å; V119-A195 HydrophobicContact CB-CB 4.36Å; M191-A195 PolarHBondContact O-N 2.78Å; M191-A195 VanDerWaalsContact O-N 3.11Å; L192-A195 PolarHBondContact O-N 2.62Å; A195-G198 PolarHBondContact O-N 2.83Å; A195-L298 HydrophobicContact CB-CD1 3.63Å
196	R	98.9	Very high	96.2	Very high	8 Å²	8	3.5 Å²	3.5	3%	0.03	2%	0.019	C	C	.	.	H	α-helix	trans	-64.9	-38.9	179.5	-168.9	172.9	-166.3	85.6	-1.6	112.5	N118 S120 D125 C160 L192 A193 C194 C287 P289 E290	N118-R196 PolarHBondContact ND2-O 2.86Å; N118-R196 VanDerWaalsContact ND2-O 3.14Å; S120-R196 PolarHBondContact OG-NH1 3.29Å; S120-R196 VanDerWaalsContact OG-NH1 3.15Å; D125-R196 IonicContact OD1-CZ 3.25Å; D125-R196 IonicContact OD1-NH1 2.99Å; D125-R196 PolarHBondContact OD1-NH1 3.2Å; D125-R196 IonicContact OD1-NH2 3.23Å; D125-R196 PolarHBondContact OD1-NH2 2.7Å; D125-R196 IonicContact OD2-CZ 2.89Å; D125-R196 IonicContact OD2-NH1 2.74Å; D125-R196 PolarHBondContact OD2-NH1 2.99Å; D125-R196 IonicContact OD2-NH2 3.73Å; C160-R196 PolarHBondContact SG-NE 3.06Å; L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.49Å; L192-R196 PolarHBondContact O-N 2.76Å; A193-R196 WeakPolarHBondContact O-CB 3.48Å; A193-R196 PolarHBondContact O-N 3.48Å; C194-R196 VanDerWaalsContact C-N 3.25Å; C194-R196 PolarHBondContact O-N 3.44Å; R196-C287 VanDerWaalsContact CZ-O 3.23Å; R196-C287 PolarHBondContact NE-O 2.9Å; R196-C287 PolarHBondContact NH2-O 2.94Å; R196-P289 HydrophobicContact CG-CB 4.18Å; R196-E290 PolarHBondContact O-N 2.82Å
197	I	98.9	Very high	94.9	Very high	8 Å²	8	2.1 Å²	2.1	4%	0.041	1%	0.012	C	C	.	.	H	α-helix	trans	-99.5	6.2	-177.3	70.5	179.9	0	0	0	113.2	A163 L166 K167 V171 A193 C194 A199	A163-I197 HydrophobicContact CB-CG2 3.63Å; L166-I197 HydrophobicContact CB-CD1 3.91Å; L166-I197 HydrophobicContact CD1-CD1 4.29Å; K167-I197 HydrophobicContact CD-CB 4.35Å; K167-I197 HydrophobicContact CD-CG2 3.77Å; K167-I197 HydrophobicContact CG-CB 4.4Å; K167-I197 HydrophobicContact CG-CD1 4.04Å; K167-I197 HydrophobicContact CG-CG2 4.08Å; V171-I197 HydrophobicContact CB-CD1 4.47Å; V171-I197 HydrophobicContact CG1-CD1 4.05Å; A193-I197 WeakPolarHBondContact O-CG1 3.24Å; A193-I197 PolarHBondContact O-N 3.11Å; C194-I197 PolarHBondContact O-N 3.33Å; I197-A199 VanDerWaalsContact C-N 3.27Å; I197-A199 HydrophobicContact CD1-CB 4.23Å; I197-A199 HydrophobicContact CG1-CB 3.92Å; I197-A199 PolarHBondContact O-N 3.38Å
198	G	98.8	Very high	93.5	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	14.2	-178.3	0	0	0	0	0	114.9	K173 G174 C194 A195 M292	K173-G198 WeakPolarHBondContact CA-O 3.48Å; G174-G198 PolarHBondContact N-O 2.89Å; C194-G198 PolarHBondContact O-N 3.27Å; C194-G198 VanDerWaalsContact O-N 3.07Å; A195-G198 PolarHBondContact O-N 2.83Å; G198-M292 WeakPolarHBondContact CA-SD 3.49Å
199	A	98.8	Very high	92.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.			trans	-76.6	151.9	169.6	0	0	0	0	0	110.2	V171 D175 V177 C194 I197	V171-A199 HydrophobicContact CG1-CB 3.81Å; D175-A199 CarbonylContact O-C 3.47Å; D175-A199 WeakPolarHBondContact O-CA 3.32Å; V177-A199 HydrophobicContact CG2-CB 4.4Å; C194-A199 CarbonylContact C-O 3.55Å; C194-A199 HydrophobicContact CB-CB 4.11Å; C194-A199 PolarHBondContact O-N 2.94Å; C194-A199 VanDerWaalsContact O-O 3.12Å; I197-A199 VanDerWaalsContact C-N 3.27Å; I197-A199 HydrophobicContact CD1-CB 4.23Å; I197-A199 HydrophobicContact CG1-CB 3.92Å; I197-A199 PolarHBondContact O-N 3.38Å
200	V	98.8	Very high	91.4	Very high	2 Å²	2	5.6 Å²	5.6	1%	0.012	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110	-177.7	-177.2	0	0	0	0	108.3	D175 R176 V177 M297 M300	D175-V200 PolarHBondContact O-N 3.47Å; R176-V200 CarbonylContact C-O 3.52Å; R176-V200 VanDerWaalsContact CA-O 3.24Å; R176-V200 WeakPolarHBondContact CA-O 3.28Å; R176-V200 HydrophobicContact CG-CB 4.07Å; R176-V200 HydrophobicContact CG-CG1 4.35Å; V177-V200 PolarHBondContact N-O 3.43Å; V200-M297 HydrophobicContact CG1-CB 4.15Å; V200-M297 HydrophobicContact CG2-CB 3.56Å; V200-M297 HydrophobicContact CG2-CE 4.25Å; V200-M300 HydrophobicContact CG1-CE 4.47Å; V200-M300 HydrophobicContact CG1-CG 3.98Å
201	H	98.8	Very high	90.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	150.9	176.5	72	83.3	0	0	0	111.3	V177 I179 C194 F299 M300 H352 Y357	V177-H201 CarbonylContact O-C 3.56Å; V177-H201 WeakPolarHBondContact O-CA 3.43Å; I179-H201 HydrophobicContact CD1-CB 3.79Å; I179-H201 HydrophobicContact CG1-CB 4.46Å; C194-H201 HydrophobicContact CB-CB 3.87Å; H201-F299 WeakPolarHBondContact CE1-CB 3.36Å; H201-F299 AromaticContact CE1-CG 3.87Å; H201-F299 WeakPolarHBondContact NE2-CB 3.4Å; H201-F299 VanDerWaalsContact O-CA 3.26Å; H201-F299 WeakPolarHBondContact O-CA 3.39Å; H201-F299 WeakPolarHBondContact O-CB 3.46Å; H201-M300 PolarHBondContact O-N 3.46Å; H201-H352 AromaticContact CE1-CD2 3.77Å; H201-H352 AromaticContact CE1-NE2 3.63Å; H201-Y357 AromaticContact NE2-CZ 3.85Å; H201-Y357 PolarHBondContact NE2-OH 2.94Å
202	T	97.9	Very high	89	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	101.5	167.2	172	0	0	0	0	108.8	V177 A178 I179 V204 A220 C222 M300 H302	V177-T202 PolarHBondContact O-N 3.39Å; A178-T202 WeakPolarHBondContact CA-O 3.43Å; A178-T202 HydrophobicContact CB-CG2 4.15Å; I179-T202 PolarHBondContact N-O 3.24Å; T202-V204 PolarHBondContact O-N 3.37Å; T202-A220 HydrophobicContact CG2-CB 3.95Å; T202-C222 WeakPolarHBondContact CG2-SG 3.32Å; T202-M300 WeakPolarHBondContact CA-O 3.39Å; T202-H302 PolarHBondContact OG1-CE1 3.35Å; T202-H302 PolarHBondContact OG1-ND1 2.82Å
203	V	96.9	Very high	88.3	Confident	3 Å²	3	12.2 Å²	12.2	2%	0.018	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	129.2	175.9	-167.9	0	0	0	0	109.1	I179 M191 I346	I179-V203 HydrophobicContact CB-CG1 4.48Å; I179-V203 HydrophobicContact CB-CG2 4.3Å; I179-V203 HydrophobicContact CD1-CG2 4.35Å; I179-V203 WeakPolarHBondContact O-CA 3.21Å; M191-V203 HydrophobicContact CE-CG2 4.3Å; M191-V203 HydrophobicContact CG-CG2 4.01Å; M191-V203 HydrophobicContact SD-CG2 4.1Å; V203-I346 HydrophobicContact CG1-CG1 4.34Å
204	V	86.4	Confident	87.7	Confident	3 Å²	3	12.4 Å²	12.4	2%	0.018	7%	0.068	C	C	.	.			trans	-114.6	126	174.2	-177.1	0	0	0	0	107.3	I179 Y180 T202 A206 F208 L213 R216	I179-V204 PolarHBondContact O-N 3.16Å; Y180-V204 HydrophobicContact CD2-CB 4.03Å; Y180-V204 HydrophobicContact CD2-CG1 3.97Å; Y180-V204 HydrophobicContact CE2-CG1 4.28Å; T202-V204 PolarHBondContact O-N 3.37Å; V204-A206 PolarHBondContact O-N 3.21Å; V204-F208 HydrophobicContact CG1-CB 4.4Å; V204-F208 HydrophobicContact CG1-CD2 3.65Å; V204-F208 HydrophobicContact CG1-CE2 4.36Å; V204-F208 HydrophobicContact CG1-CG 4.4Å; V204-L213 HydrophobicContact CB-CD1 4Å; V204-L213 HydrophobicContact CG1-CD1 3.89Å; V204-L213 HydrophobicContact CG2-CD1 4.08Å; V204-R216 HydrophobicContact CG2-CB 4.15Å
205	F	81.8	Confident	86.8	Confident	9 Å²	9	13.7 Å²	13.7	4%	0.039	8%	0.082	C	C	.	.			trans	-53.3	124.7	-179.9	176.3	-113.8	0	0	0	111.2	Y180 G207 F208 D345 W348 R649	Y180-F205 WeakPolarHBondContact CE2-O 3.45Å; F205-G207 PolarHBondContact O-N 3.2Å; F205-F208 HydrophobicContact CB-CD1 4.32Å; F205-F208 HydrophobicContact CB-CE1 4.11Å; F205-F208 HydrophobicContact CB-CE2 4.43Å; F205-F208 HydrophobicContact CB-CZ 4.18Å; F205-F208 AromaticContact CD1-CD1 3.79Å; F205-F208 HydrophobicContact CD1-CD1 3.79Å; F205-F208 AromaticContact CD1-CE1 3.77Å; F205-F208 HydrophobicContact CD1-CE1 3.77Å; F205-F208 HydrophobicContact CG-CE1 4.4Å; F205-F208 PolarHBondContact O-N 3.23Å; F205-F208 VanDerWaalsContact O-N 3.07Å; F205-D345 HydrophobicContact CD2-CB 4.3Å; F205-D345 WeakPolarHBondContact CD2-OD1 3.5Å; F205-D345 HydrophobicContact CE2-CB 4.1Å; F205-D345 WeakPolarHBondContact CE2-OD2 3.26Å; F205-W348 AromaticContact CD2-NE1 3.82Å; F205-R649 HydrophobicContact CE1-CB 3.68Å; F205-R649 HydrophobicContact CE1-CG 3.78Å; F205-R649 HydrophobicContact CZ-CB 3.57Å; F205-R649 HydrophobicContact CZ-CG 4.08Å
206	A	75.4	Confident	86.2	Confident	7 Å²	7	14.5 Å²	14.5	6%	0.058	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	20.8	-174.6	0	0	0	0	0	115	Y180 P182 V204 L240	Y180-A206 PolarHBondContact OH-O 3.45Å; P182-A206 HydrophobicContact CG-CB 4.21Å; V204-A206 PolarHBondContact O-N 3.21Å; A206-L240 HydrophobicContact CB-CD1 4.15Å; A206-L240 HydrophobicContact CB-CD2 4.13Å; A206-L240 VanDerWaalsContact O-CD2 3.27Å; A206-L240 WeakPolarHBondContact O-CD2 3.34Å
207	G	71.2	Confident	86	Confident	4 Å²	4	14.2 Å²	14.2	4%	0.041	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-0.4	172	0	0	0	0	0	115.1	F205 R649	F205-G207 PolarHBondContact O-N 3.2Å; G207-R649 VanDerWaalsContact O-CZ 3.3Å; G207-R649 PolarHBondContact O-NH2 3.06Å
208	F	70.6	Confident	85.8	Confident	19 Å²	19	18.4 Å²	18.4	8%	0.083	10%	0.104	C	C	.	.	S	Bend	trans	-75.1	153.7	179.6	-75.3	-0	0	0	0	112.3	Y180 V204 F205 A212 R216 T674	Y180-F208 HydrophobicContact CE2-CB 4.43Å; Y180-F208 PolarHBondContact OH-N 2.89Å; Y180-F208 PolarHBondContact OH-O 2.92Å; V204-F208 HydrophobicContact CG1-CB 4.4Å; V204-F208 HydrophobicContact CG1-CD2 3.65Å; V204-F208 HydrophobicContact CG1-CE2 4.36Å; V204-F208 HydrophobicContact CG1-CG 4.4Å; F205-F208 HydrophobicContact CB-CD1 4.32Å; F205-F208 HydrophobicContact CB-CE1 4.11Å; F205-F208 HydrophobicContact CB-CE2 4.43Å; F205-F208 HydrophobicContact CB-CZ 4.18Å; F205-F208 AromaticContact CD1-CD1 3.79Å; F205-F208 HydrophobicContact CD1-CD1 3.79Å; F205-F208 AromaticContact CD1-CE1 3.77Å; F205-F208 HydrophobicContact CD1-CE1 3.77Å; F205-F208 HydrophobicContact CG-CE1 4.4Å; F205-F208 PolarHBondContact O-N 3.23Å; F205-F208 VanDerWaalsContact O-N 3.07Å; F208-A212 HydrophobicContact CB-CB 3.95Å; F208-A212 HydrophobicContact CD2-CB 4.36Å; F208-A212 HydrophobicContact CG-CB 4.3Å; F208-R216 VanDerWaalsContact CE2-NH2 3.31Å; F208-T674 HydrophobicContact CD1-CG2 3.95Å; F208-T674 HydrophobicContact CE1-CG2 3.38Å; F208-T674 HydrophobicContact CZ-CG2 3.87Å
209	S	73.8	Confident	85.4	Confident	33 Å²	33	21.3 Å²	21.3	23%	0.231	12%	0.119	C	C	.	.			trans	-69.6	168.3	174.4	81.6	0	0	0	0	111.4	E211 A212 L213	S209-E211 VanDerWaalsContact CB-OE2 3.24Å; S209-E211 WeakPolarHBondContact CB-OE2 3.37Å; S209-E211 PolarHBondContact O-N 3.18Å; S209-E211 PolarHBondContact OG-N 2.94Å; S209-E211 PolarHBondContact OG-OE2 3.4Å; S209-A212 PolarHBondContact O-N 3.4Å; S209-A212 PolarHBondContact OG-N 2.81Å; S209-L213 WeakPolarHBondContact O-CB 3.36Å; S209-L213 PolarHBondContact O-N 3.13Å
210	S	79.4	Confident	85.2	Confident	22 Å²	22	21.3 Å²	21.3	15%	0.154	12%	0.119	C	C	.	.	H	α-helix	trans	-61.6	-33.3	177.6	73.2	0	0	0	0	112.8	A214 T243 A247	S210-A214 VanDerWaalsContact O-CB 3.24Å; S210-A214 WeakPolarHBondContact O-CB 3.32Å; S210-A214 PolarHBondContact O-N 3.14Å; S210-T243 WeakPolarHBondContact CB-O 3.47Å; S210-A247 VanDerWaalsContact O-CB 3.23Å; S210-A247 WeakPolarHBondContact O-CB 3.2Å
211	E	74.1	Confident	85.1	Confident	129 Å²	129	25.6 Å²	25.6	60%	0.603	14%	0.139	S	C	*	.	H	α-helix	trans	-70.4	-45.9	177	-58.7	73.4	-161.5	0	0	111	S209 L213 A214 G215	S209-E211 VanDerWaalsContact CB-OE2 3.24Å; S209-E211 WeakPolarHBondContact CB-OE2 3.37Å; S209-E211 PolarHBondContact O-N 3.18Å; S209-E211 PolarHBondContact OG-N 2.94Å; S209-E211 PolarHBondContact OG-OE2 3.4Å; E211-L213 VanDerWaalsContact C-N 3.29Å; E211-L213 PolarHBondContact O-N 3.29Å; E211-A214 PolarHBondContact O-N 3.04Å; E211-G215 PolarHBondContact O-N 2.87Å
212	A	73.3	Confident	85	Confident	9 Å²	9	25.6 Å²	25.6	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-35.1	177.3	0	0	0	0	0	111.8	F208 S209 R216	F208-A212 HydrophobicContact CB-CB 3.95Å; F208-A212 HydrophobicContact CD2-CB 4.36Å; F208-A212 HydrophobicContact CG-CB 4.3Å; S209-A212 PolarHBondContact O-N 3.4Å; S209-A212 PolarHBondContact OG-N 2.81Å; A212-R216 WeakPolarHBondContact O-CG 3.29Å; A212-R216 PolarHBondContact O-NH1 2.88Å
213	L	84.2	Confident	85.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.6	-51.4	171.9	176.2	58.8	0	0	0	111.3	Y180 V204 S209 E211 G215 R216 I217 V244 A247	Y180-L213 HydrophobicContact CD1-CD2 4.05Å; Y180-L213 HydrophobicContact CD2-CD1 3.82Å; Y180-L213 HydrophobicContact CD2-CD2 4.07Å; Y180-L213 HydrophobicContact CD2-CG 4.46Å; Y180-L213 HydrophobicContact CE1-CD2 4.31Å; Y180-L213 HydrophobicContact CE2-CD1 4.46Å; Y180-L213 HydrophobicContact CE2-CD2 4.32Å; Y180-L213 HydrophobicContact CG-CD1 4.13Å; Y180-L213 HydrophobicContact CG-CD2 3.93Å; V204-L213 HydrophobicContact CB-CD1 4Å; V204-L213 HydrophobicContact CG1-CD1 3.89Å; V204-L213 HydrophobicContact CG2-CD1 4.08Å; S209-L213 WeakPolarHBondContact O-CB 3.36Å; S209-L213 PolarHBondContact O-N 3.13Å; E211-L213 VanDerWaalsContact C-N 3.29Å; E211-L213 PolarHBondContact O-N 3.29Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 3.38Å; L213-R216 PolarHBondContact O-N 3.41Å; L213-R216 VanDerWaalsContact O-N 3.12Å; L213-I217 HydrophobicContact CD1-CD1 3.8Å; L213-I217 HydrophobicContact CD1-CG1 4.06Å; L213-I217 HydrophobicContact CD2-CD1 4.41Å; L213-I217 HydrophobicContact CG-CD1 3.72Å; L213-I217 HydrophobicContact CG-CG1 4.39Å; L213-I217 WeakPolarHBondContact O-CG1 3.37Å; L213-I217 PolarHBondContact O-N 2.98Å; L213-V244 HydrophobicContact CD2-CG2 3.99Å; L213-A247 HydrophobicContact CB-CB 4.09Å; L213-A247 HydrophobicContact CD2-CB 3.75Å; L213-A247 HydrophobicContact CG-CB 3.83Å
214	A	86.1	Confident	85.2	Confident	4 Å²	4	27.2 Å²	27.2	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-45.2	-179.8	0	0	0	0	0	112.1	S210 E211 R216 I217 Q218 A247 N250	S210-A214 VanDerWaalsContact O-CB 3.24Å; S210-A214 WeakPolarHBondContact O-CB 3.32Å; S210-A214 PolarHBondContact O-N 3.14Å; E211-A214 PolarHBondContact O-N 3.04Å; A214-R216 VanDerWaalsContact C-N 3.25Å; A214-R216 PolarHBondContact O-N 2.97Å; A214-I217 PolarHBondContact O-N 2.91Å; A214-Q218 WeakPolarHBondContact O-CB 3.37Å; A214-Q218 VanDerWaalsContact O-CG 3.32Å; A214-Q218 WeakPolarHBondContact O-CG 3.36Å; A214-Q218 PolarHBondContact O-N 2.79Å; A214-A247 HydrophobicContact CB-CB 4.03Å; A214-N250 HydrophobicContact CB-CB 4.47Å
215	G	80.4	Confident	85.8	Confident	28 Å²	28	27 Å²	27	29%	0.289	15%	0.145	S	C	.	.	H	α-helix	trans	-58.1	-37.5	178.3	0	0	0	0	0	113	E211 L213 D219	E211-G215 PolarHBondContact O-N 2.87Å; L213-G215 VanDerWaalsContact C-N 3.34Å; L213-G215 PolarHBondContact O-N 3.38Å; G215-D219 VanDerWaalsContact O-CB 3.31Å; G215-D219 WeakPolarHBondContact O-CB 3.28Å; G215-D219 PolarHBondContact O-N 2.87Å
216	R	86.3	Confident	86.6	Confident	17 Å²	17	26.6 Å²	26.6	6%	0.064	14%	0.143	C	C	.	.	H	α-helix	trans	-76.2	-39	177.5	-69.2	171.3	172.3	72.6	-0.7	112.4	V204 F208 A212 L213 A214 Q218 A220 H302 P310	V204-R216 HydrophobicContact CG2-CB 4.15Å; F208-R216 VanDerWaalsContact CE2-NH2 3.31Å; A212-R216 WeakPolarHBondContact O-CG 3.29Å; A212-R216 PolarHBondContact O-NH1 2.88Å; L213-R216 PolarHBondContact O-N 3.41Å; L213-R216 VanDerWaalsContact O-N 3.12Å; A214-R216 VanDerWaalsContact C-N 3.25Å; A214-R216 PolarHBondContact O-N 2.97Å; R216-Q218 VanDerWaalsContact C-N 3.29Å; R216-Q218 PolarHBondContact O-N 3.46Å; R216-A220 WeakPolarHBondContact O-CB 3.26Å; R216-A220 PolarHBondContact O-N 3.3Å; R216-H302 HydrophobicContact CG-CB 3.87Å; R216-P310 HydrophobicContact CG-CB 4.29Å; R216-P310 HydrophobicContact CG-CG 4.3Å
217	I	95.1	Very high	87.7	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-59.2	-44.4	174	-71.5	171.7	0	0	0	110.2	A178 L213 A214 Q221 C222 V225 C251 V254	A178-I217 HydrophobicContact CB-CG1 3.98Å; L213-I217 HydrophobicContact CD1-CD1 3.8Å; L213-I217 HydrophobicContact CD1-CG1 4.06Å; L213-I217 HydrophobicContact CD2-CD1 4.41Å; L213-I217 HydrophobicContact CG-CD1 3.72Å; L213-I217 HydrophobicContact CG-CG1 4.39Å; L213-I217 WeakPolarHBondContact O-CG1 3.37Å; L213-I217 PolarHBondContact O-N 2.98Å; A214-I217 PolarHBondContact O-N 2.91Å; I217-Q221 WeakPolarHBondContact O-CA 3.31Å; I217-Q221 PolarHBondContact O-N 3.3Å; I217-C222 HydrophobicContact CG2-CB 4.1Å; I217-C222 PolarHBondContact O-N 3.11Å; I217-V225 HydrophobicContact CD1-CG2 3.77Å; I217-V225 HydrophobicContact CG1-CG2 4.44Å; I217-C251 HydrophobicContact CG2-CB 3.57Å; I217-C251 WeakPolarHBondContact CG2-SG 3.41Å; I217-V254 HydrophobicContact CG2-CG2 3.52Å
218	Q	93.8	Very high	88.9	Confident	96 Å²	96	26.3 Å²	26.3	45%	0.449	14%	0.14	S	C	.	.	H	α-helix	trans	-68.7	-47.7	179	-70.5	174.4	20.6	0	0	112.3	A214 R216 A220 Q221 N250	A214-Q218 WeakPolarHBondContact O-CB 3.37Å; A214-Q218 VanDerWaalsContact O-CG 3.32Å; A214-Q218 WeakPolarHBondContact O-CG 3.36Å; A214-Q218 PolarHBondContact O-N 2.79Å; R216-Q218 VanDerWaalsContact C-N 3.29Å; R216-Q218 PolarHBondContact O-N 3.46Å; Q218-A220 VanDerWaalsContact C-N 3.34Å; Q218-A220 PolarHBondContact O-N 3.12Å; Q218-Q221 WeakPolarHBondContact O-CA 3.43Å; Q218-Q221 WeakPolarHBondContact O-CG 3.47Å; Q218-Q221 PolarHBondContact O-N 3.25Å; Q218-N250 PolarHBondContact NE2-O 3.37Å
219	D	90.3	Very high	90.1	Very high	60 Å²	60	25.4 Å²	25.4	32%	0.321	14%	0.136	S	C	.	.	H	α-helix	trans	-58.5	-46.2	179	-169.5	68.2	0	0	0	111.3	G215 Q221 H302 F520	G215-D219 VanDerWaalsContact O-CB 3.31Å; G215-D219 WeakPolarHBondContact O-CB 3.28Å; G215-D219 PolarHBondContact O-N 2.87Å; D219-Q221 PolarHBondContact O-N 2.78Å; D219-H302 IonicContact OD2-CD2 3.81Å; D219-H302 IonicContact OD2-NE2 2.76Å; D219-H302 PolarHBondContact OD2-NE2 2.84Å; D219-F520 WeakPolarHBondContact O-CD1 3.28Å; D219-F520 WeakPolarHBondContact O-CE1 3.22Å
220	A	94.6	Very high	91.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.1	174.1	0	0	0	0	0	114.4	R176 T202 R216 Q218 C222 M300	R176-A220 WeakPolarHBondContact CB-O 3.23Å; R176-A220 VanDerWaalsContact CG-O 3.26Å; R176-A220 WeakPolarHBondContact CG-O 3.37Å; R176-A220 PolarHBondContact NE-O 3.46Å; T202-A220 HydrophobicContact CG2-CB 3.95Å; R216-A220 WeakPolarHBondContact O-CB 3.26Å; R216-A220 PolarHBondContact O-N 3.3Å; Q218-A220 VanDerWaalsContact C-N 3.34Å; Q218-A220 PolarHBondContact O-N 3.12Å; A220-C222 VanDerWaalsContact C-N 3.31Å; A220-C222 WeakPolarHBondContact CB-SG 3.32Å; A220-C222 PolarHBondContact O-N 2.98Å; A220-M300 HydrophobicContact CB-CE 3.23Å
221	Q	96.4	Very high	91.7	Very high	93 Å²	93	23.7 Å²	23.7	44%	0.435	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	49.8	-172.3	-56.7	175	-27	0	0	111.6	R176 I217 Q218 D219	R176-Q221 PolarHBondContact NH2-O 3.05Å; I217-Q221 WeakPolarHBondContact O-CA 3.31Å; I217-Q221 PolarHBondContact O-N 3.3Å; Q218-Q221 WeakPolarHBondContact O-CA 3.43Å; Q218-Q221 WeakPolarHBondContact O-CG 3.47Å; Q218-Q221 PolarHBondContact O-N 3.25Å; D219-Q221 PolarHBondContact O-N 2.78Å
222	C	98.2	Very high	92.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.			trans	-67.2	139.9	-175.9	-62.1	0	0	0	0	111.8	R176 A178 T202 I217 A220 N253	R176-C222 HydrophobicContact CB-CB 4.43Å; R176-C222 CarbonylContact O-C 3.36Å; R176-C222 WeakPolarHBondContact O-CA 3.48Å; A178-C222 HydrophobicContact CB-CB 4.27Å; T202-C222 WeakPolarHBondContact CG2-SG 3.32Å; I217-C222 HydrophobicContact CG2-CB 4.1Å; I217-C222 PolarHBondContact O-N 3.11Å; A220-C222 VanDerWaalsContact C-N 3.31Å; A220-C222 WeakPolarHBondContact CB-SG 3.32Å; A220-C222 PolarHBondContact O-N 2.98Å; C222-N253 CarbonylContact O-C 3.54Å
223	K	98.5	Very high	93.5	Very high	35 Å²	35	21 Å²	21	15%	0.152	10%	0.104	C	C	.	.	S	Bend	trans	-91	-27.5	176.3	-170.6	177.5	-170.1	173.3	0	112.6	G170 D175 R176 V254 Q255	G170-K223 WeakPolarHBondContact O-CE 3.2Å; G170-K223 PolarHBondContact O-NZ 2.86Å; D175-K223 HydrophobicContact CB-CD 4.2Å; D175-K223 VanDerWaalsContact OD2-CD 3.24Å; D175-K223 WeakPolarHBondContact OD2-CD 3.21Å; D175-K223 IonicContact OD2-NZ 3.83Å; D175-K223 PolarHBondContact OD2-NZ 3.16Å; R176-K223 PolarHBondContact O-N 3.48Å; K223-V254 WeakPolarHBondContact O-CA 3.26Å; K223-Q255 HydrophobicContact CG-CG 4.16Å; K223-Q255 PolarHBondContact O-N 3.39Å
224	A	98.8	Very high	93.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	157.4	179.1	0	0	0	0	0	111.7	V171 V177 A178 H256 F258	V171-A224 HydrophobicContact CG2-CB 4.33Å; V177-A224 HydrophobicContact CG1-CB 4.38Å; A178-A224 PolarHBondContact N-O 3.12Å; A224-H256 VanDerWaalsContact CA-O 3.25Å; A224-H256 WeakPolarHBondContact CA-O 3.31Å; A224-H256 HydrophobicContact CB-CB 4.48Å; A224-F258 HydrophobicContact CB-CD2 4.31Å; A224-F258 HydrophobicContact CB-CE2 3.84Å
225	V	98.8	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.9	171.8	-175.1	0	0	0	0	108.7	A178 I217 V244 V248 V254 H256 V257 F258	A178-V225 HydrophobicContact CB-CG1 4.43Å; A178-V225 HydrophobicContact CB-CG2 4.24Å; A178-V225 CarbonylContact O-C 3.45Å; A178-V225 WeakPolarHBondContact O-CA 3.34Å; I217-V225 HydrophobicContact CD1-CG2 3.77Å; I217-V225 HydrophobicContact CG1-CG2 4.44Å; V225-V244 HydrophobicContact CB-CG1 4.42Å; V225-V244 HydrophobicContact CG1-CG1 3.91Å; V225-V244 HydrophobicContact CG1-CG2 4.49Å; V225-V248 HydrophobicContact CG2-CG2 4.1Å; V225-V254 HydrophobicContact CG2-CG1 4.03Å; V225-V254 HydrophobicContact CG2-CG2 4.1Å; V225-H256 PolarHBondContact N-O 3.38Å; V225-V257 HydrophobicContact CB-CG1 4.46Å; V225-V257 HydrophobicContact CB-CG2 4.43Å; V225-V257 CarbonylContact O-C 3.58Å; V225-V257 VanDerWaalsContact O-CA 3.32Å; V225-V257 WeakPolarHBondContact O-CA 3.49Å; V225-F258 PolarHBondContact O-N 3.18Å
226	I	98.9	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.4	170	-53.4	173.7	0	0	0	107.5	L166 V177 A178 I179 Y180 M181 A190 F258 L276	L166-I226 HydrophobicContact CD2-CD1 4.18Å; V177-I226 HydrophobicContact CG1-CD1 3.73Å; V177-I226 HydrophobicContact CG1-CG1 3.85Å; A178-I226 PolarHBondContact O-N 3.3Å; I179-I226 HydrophobicContact CG1-CD1 4.45Å; Y180-I226 PolarHBondContact N-O 2.94Å; M181-I226 HydrophobicContact SD-CG2 3.72Å; A190-I226 HydrophobicContact CB-CD1 3.79Å; I226-F258 WeakPolarHBondContact CA-O 3.32Å; I226-F258 HydrophobicContact CB-CB 4.46Å; I226-F258 HydrophobicContact CG1-CB 4.15Å; I226-F258 HydrophobicContact CG1-CD2 4Å; I226-F258 HydrophobicContact CG1-CG 4.45Å; I226-F258 HydrophobicContact CG2-CB 4.32Å; I226-L276 HydrophobicContact CG2-CD2 4.14Å
227	T	98.6	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	173.6	-179.7	-171.9	0	0	0	0	110.4	Y180 K241 V244 V257 F258 V259 A260	Y180-T227 WeakPolarHBondContact O-CA 3.44Å; Y180-T227 PolarHBondContact O-OG1 3.34Å; T227-K241 HydrophobicContact CG2-CD 4.22Å; T227-V244 HydrophobicContact CG2-CB 4.41Å; T227-V244 HydrophobicContact CG2-CG1 4.46Å; T227-V244 HydrophobicContact CG2-CG2 3.94Å; T227-V257 HydrophobicContact CG2-CG1 4.03Å; T227-F258 PolarHBondContact N-O 3.11Å; T227-V259 HydrophobicContact CG2-CG1 4.5Å; T227-V259 HydrophobicContact CG2-CG2 4.22Å; T227-V259 WeakPolarHBondContact O-CA 3.31Å; T227-A260 PolarHBondContact O-N 3.12Å
228	C	96.9	Very high	94.3	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.027	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	169.8	159.3	54.2	0	0	0	0	111.9	M181 Q230 L240 A260 R262	M181-C228 HydrophobicContact CE-CB 3.78Å; C228-Q230 PolarHBondContact SG-O 3.02Å; C228-L240 VanDerWaalsContact SG-CD1 3.6Å; C228-A260 CarbonylContact C-O 3.59Å; C228-A260 WeakPolarHBondContact CA-O 3.41Å; C228-A260 HydrophobicContact CB-CB 4.06Å; C228-A260 VanDerWaalsContact CB-O 3.31Å; C228-A260 WeakPolarHBondContact CB-O 3.42Å; C228-R262 HydrophobicContact CB-CB 4.07Å
229	N	95.7	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-56.1	-53.2	174.4	68.5	-35.2	0	0	0	111.5	L240 K241 A260 Q261 R262 T263 N265 T267	N229-L240 PolarHBondContact O-N 2.89Å; N229-K241 PolarHBondContact O-N 3.48Å; N229-A260 PolarHBondContact N-O 2.68Å; N229-Q261 PolarHBondContact ND2-NE2 3.08Å; N229-R262 PolarHBondContact OD1-N 2.82Å; N229-T263 PolarHBondContact ND2-O 3.25Å; N229-T263 PolarHBondContact ND2-OG1 3.38Å; N229-T263 PolarHBondContact OD1-N 3.27Å; N229-N265 PolarHBondContact ND2-O 3.07Å; N229-T267 HydrophobicContact CB-CG2 3.63Å
230	Q	95.3	Very high	94.2	Very high	20 Å²	20	35.2 Å²	35.2	9%	0.093	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.5	179.1	-65	-178.5	-49.8	0	0	110.9	C228 I238 D239 R262 T263 N265	C228-Q230 PolarHBondContact SG-O 3.02Å; Q230-I238 CarbonylContact C-O 3.59Å; Q230-I238 WeakPolarHBondContact CA-O 3.48Å; Q230-D239 WeakPolarHBondContact CG-OD1 3.35Å; Q230-D239 PolarHBondContact NE2-OD1 2.66Å; Q230-R262 WeakPolarHBondContact O-CB 3.47Å; Q230-R262 VanDerWaalsContact O-CG 3.31Å; Q230-R262 WeakPolarHBondContact O-CG 3.36Å; Q230-T263 HydrophobicContact CB-CG2 3.91Å; Q230-T263 PolarHBondContact OE1-OG1 3.01Å; Q230-N265 PolarHBondContact OE1-ND2 3Å
231	G	92.6	Very high	94.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	156.8	161.5	0	0	0	0	0	111.2	F237 I238	G231-F237 CarbonylContact O-C 3.36Å; G231-F237 WeakPolarHBondContact O-CA 3.34Å; G231-I238 PolarHBondContact N-O 3.45Å; G231-I238 PolarHBondContact O-N 3.2Å
232	V	93.8	Very high	94.2	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.3	170	-169.1	0	0	0	0	107.7	D142 R236 F237 R262 T263 E370	D142-V232 HydrophobicContact CB-CB 4.25Å; D142-V232 HydrophobicContact CB-CG1 3.74Å; V232-R236 WeakPolarHBondContact CA-O 3.47Å; V232-F237 HydrophobicContact CG1-CE1 4.5Å; V232-F237 HydrophobicContact CG2-CD1 3.95Å; V232-F237 HydrophobicContact CG2-CE1 3.93Å; V232-R262 HydrophobicContact CG2-CG 4.34Å; V232-T263 HydrophobicContact CG2-CG2 3.65Å; V232-E370 WeakPolarHBondContact O-CG 3.5Å
233	R	89.4	Confident	93.8	Very high	76 Å²	76	35.4 Å²	35.4	29%	0.287	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	125.3	178.2	-169.7	169	-176	-164.4	-6.1	111.7	G235 R236 I238 T372	R233-G235 VanDerWaalsContact C-N 3.31Å; R233-G235 PolarHBondContact O-N 3.01Å; R233-R236 PolarHBondContact N-O 3.47Å; R233-R236 PolarHBondContact O-N 2.9Å; R233-R236 VanDerWaalsContact O-N 3.15Å; R233-I238 HydrophobicContact CB-CD1 4.2Å; R233-T372 HydrophobicContact CG-CG2 3.86Å
234	G	90.7	Very high	93.7	Very high	14 Å²	14	33.7 Å²	33.7	14%	0.144	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	40.6	179.4	0	0	0	0	0	113.1	D142 R236	D142-G234 VanDerWaalsContact CG-N 3.32Å; D142-G234 PolarHBondContact OD1-N 3.09Å; D142-G234 PolarHBondContact OD2-N 3.18Å; G234-R236 PolarHBondContact O-N 2.63Å
235	G	91.7	Very high	93.6	Very high	39 Å²	39	36 Å²	36	40%	0.402	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	8.7	-177.1	0	0	0	0	0	114.9	D142 R233 Y375	D142-G235 WeakPolarHBondContact OD2-CA 3.41Å; D142-G235 PolarHBondContact OD2-N 2.68Å; R233-G235 VanDerWaalsContact C-N 3.31Å; R233-G235 PolarHBondContact O-N 3.01Å; G235-Y375 VanDerWaalsContact CA-CZ 3.49Å
236	R	89.1	Confident	93.4	Very high	190 Å²	190	37.7 Å²	37.7	72%	0.717	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.5	-176.1	-68.1	-175.3	-101.6	-172.2	-4.3	112.1	V232 R233 G234	V232-R236 WeakPolarHBondContact CA-O 3.47Å; R233-R236 PolarHBondContact N-O 3.47Å; R233-R236 PolarHBondContact O-N 2.9Å; R233-R236 VanDerWaalsContact O-N 3.15Å; G234-R236 PolarHBondContact O-N 2.63Å
237	F	91.7	Very high	93	Very high	121 Å²	121	37.7 Å²	37.7	53%	0.531	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	137.7	170.3	-61.3	-59.9	0	0	0	110.9	G231 V232 T263	G231-F237 CarbonylContact O-C 3.36Å; G231-F237 WeakPolarHBondContact O-CA 3.34Å; V232-F237 HydrophobicContact CG1-CE1 4.5Å; V232-F237 HydrophobicContact CG2-CD1 3.95Å; V232-F237 HydrophobicContact CG2-CE1 3.93Å; F237-T263 HydrophobicContact CD1-CG2 3.82Å; F237-T263 HydrophobicContact CE1-CG2 3.75Å
238	I	86.5	Confident	92.9	Very high	52 Å²	52	38.5 Å²	38.5	27%	0.267	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.6	176.5	-55.6	173	0	0	0	108	Q230 G231 R233 L240	Q230-I238 CarbonylContact C-O 3.59Å; Q230-I238 WeakPolarHBondContact CA-O 3.48Å; G231-I238 PolarHBondContact N-O 3.45Å; G231-I238 PolarHBondContact O-N 3.2Å; R233-I238 HydrophobicContact CB-CD1 4.2Å; I238-L240 HydrophobicContact CB-CD2 4.48Å; I238-L240 HydrophobicContact CG2-CD2 3.74Å; I238-L240 PolarHBondContact O-N 2.88Å; I238-L240 VanDerWaalsContact O-N 3.09Å
239	D	88.3	Confident	92.8	Very high	90 Å²	90	46.5 Å²	46.5	48%	0.481	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	97.9	-179	-70	-39.6	0	0	0	111.8	Q230 P242 T243	Q230-D239 WeakPolarHBondContact CG-OD1 3.35Å; Q230-D239 PolarHBondContact NE2-OD1 2.66Å; D239-P242 HydrophobicContact CB-CG 4.05Å; D239-T243 PolarHBondContact O-OG1 2.59Å
240	L	93.6	Very high	92.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-85.4	-44.5	-178	-58.5	-176.1	0	0	0	111.9	Y180 P182 A206 C228 N229 I238 T243 V244	Y180-L240 HydrophobicContact CD1-CB 4.32Å; Y180-L240 HydrophobicContact CD1-CD2 4.48Å; Y180-L240 HydrophobicContact CE1-CB 4.08Å; Y180-L240 HydrophobicContact CE1-CD2 3.7Å; Y180-L240 HydrophobicContact CE1-CG 4.38Å; P182-L240 HydrophobicContact CG-CD1 3.92Å; A206-L240 HydrophobicContact CB-CD1 4.15Å; A206-L240 HydrophobicContact CB-CD2 4.13Å; A206-L240 VanDerWaalsContact O-CD2 3.27Å; A206-L240 WeakPolarHBondContact O-CD2 3.34Å; C228-L240 VanDerWaalsContact SG-CD1 3.6Å; N229-L240 PolarHBondContact O-N 2.89Å; I238-L240 HydrophobicContact CB-CD2 4.48Å; I238-L240 HydrophobicContact CG2-CD2 3.74Å; I238-L240 PolarHBondContact O-N 2.88Å; I238-L240 VanDerWaalsContact O-N 3.09Å; L240-T243 WeakPolarHBondContact O-CA 3.41Å; L240-T243 VanDerWaalsContact O-CB 3.28Å; L240-T243 WeakPolarHBondContact O-CB 3.32Å; L240-T243 PolarHBondContact O-N 2.71Å; L240-V244 WeakPolarHBondContact O-CG2 3.32Å; L240-V244 PolarHBondContact O-N 3.11Å
241	K	96.9	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-44.7	-177	179.7	59.5	169.9	60.8	0	113.7	T227 N229 T243 V244 D245 V259 T267 P268 D273	T227-K241 HydrophobicContact CG2-CD 4.22Å; N229-K241 PolarHBondContact O-N 3.48Å; K241-T243 PolarHBondContact O-N 3.39Å; K241-V244 PolarHBondContact O-N 3.43Å; K241-V244 VanDerWaalsContact O-N 3.15Å; K241-D245 IonicContact NZ-OD1 3.76Å; K241-D245 PolarHBondContact NZ-OD1 3.48Å; K241-D245 IonicContact NZ-OD2 2.83Å; K241-D245 PolarHBondContact NZ-OD2 2.97Å; K241-D245 PolarHBondContact O-N 2.9Å; K241-V259 HydrophobicContact CD-CG1 4.17Å; K241-V259 HydrophobicContact CD-CG2 3.83Å; K241-V259 VanDerWaalsContact CE-CG2 3.44Å; K241-T267 HydrophobicContact CB-CG2 4.23Å; K241-T267 WeakPolarHBondContact CB-OG1 3.31Å; K241-T267 HydrophobicContact CG-CG2 3.92Å; K241-T267 WeakPolarHBondContact CG-OG1 3.23Å; K241-P268 PolarHBondContact NZ-O 2.99Å; K241-D273 VanDerWaalsContact CE-CG 3.49Å; K241-D273 WeakPolarHBondContact CE-OD2 3.48Å; K241-D273 IonicContact NZ-OD1 3.02Å; K241-D273 IonicContact NZ-OD2 3.53Å; K241-D273 PolarHBondContact NZ-OD2 2.89Å
242	P	94.3	Very high	92.8	Very high	61 Å²	61	56.3 Å²	56.3	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-60	-33.6	173.5	-27.3	37.9	0	0	0	113.8	D239 D245 A246	D239-P242 HydrophobicContact CB-CG 4.05Å; P242-D245 PolarHBondContact O-N 2.98Å; P242-A246 PolarHBondContact O-N 2.86Å
243	T	89.3	Confident	92.9	Very high	35 Å²	35	60.3 Å²	60.3	22%	0.215	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-41.9	176.4	-61.9	0	0	0	0	110.7	Y180 S210 D239 L240 K241 A246 A247	Y180-T243 HydrophobicContact CE1-CG2 4.14Å; S210-T243 WeakPolarHBondContact CB-O 3.47Å; D239-T243 PolarHBondContact O-OG1 2.59Å; L240-T243 WeakPolarHBondContact O-CA 3.41Å; L240-T243 VanDerWaalsContact O-CB 3.28Å; L240-T243 WeakPolarHBondContact O-CB 3.32Å; L240-T243 PolarHBondContact O-N 2.71Å; K241-T243 PolarHBondContact O-N 3.39Å; T243-A246 PolarHBondContact O-N 3.34Å; T243-A247 WeakPolarHBondContact O-CB 3.49Å; T243-A247 PolarHBondContact O-N 3.48Å
244	V	97.4	Very high	93.3	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-43	173.6	179	0	0	0	0	111.2	Y180 L213 V225 T227 L240 K241 A246 A247 V248 V257	Y180-V244 HydrophobicContact CD1-CG2 3.63Å; Y180-V244 HydrophobicContact CE1-CG2 4.31Å; Y180-V244 HydrophobicContact CG-CG2 4.39Å; L213-V244 HydrophobicContact CD2-CG2 3.99Å; V225-V244 HydrophobicContact CB-CG1 4.42Å; V225-V244 HydrophobicContact CG1-CG1 3.91Å; V225-V244 HydrophobicContact CG1-CG2 4.49Å; T227-V244 HydrophobicContact CG2-CB 4.41Å; T227-V244 HydrophobicContact CG2-CG1 4.46Å; T227-V244 HydrophobicContact CG2-CG2 3.94Å; L240-V244 WeakPolarHBondContact O-CG2 3.32Å; L240-V244 PolarHBondContact O-N 3.11Å; K241-V244 PolarHBondContact O-N 3.43Å; K241-V244 VanDerWaalsContact O-N 3.15Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 3.26Å; V244-A247 PolarHBondContact O-N 2.9Å; V244-A247 VanDerWaalsContact O-N 3.14Å; V244-V248 HydrophobicContact CG1-CG2 3.8Å; V244-V248 WeakPolarHBondContact O-CB 3.22Å; V244-V248 VanDerWaalsContact O-CG2 3.31Å; V244-V248 WeakPolarHBondContact O-CG2 3.43Å; V244-V248 PolarHBondContact O-N 3.45Å; V244-V257 HydrophobicContact CG1-CG1 3.78Å; V244-V257 HydrophobicContact CG1-CG2 4.41Å
245	D	97.1	Very high	93.7	Very high	50 Å²	50	61 Å²	61	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-42	177.8	-72.7	-20.9	0	0	0	112.5	K241 P242 K249	K241-D245 IonicContact NZ-OD1 3.76Å; K241-D245 PolarHBondContact NZ-OD1 3.48Å; K241-D245 IonicContact NZ-OD2 2.83Å; K241-D245 PolarHBondContact NZ-OD2 2.97Å; K241-D245 PolarHBondContact O-N 2.9Å; P242-D245 PolarHBondContact O-N 2.98Å; D245-K249 WeakPolarHBondContact O-CG 3.41Å; D245-K249 PolarHBondContact O-N 3.48Å
246	A	92.7	Very high	94	Very high	35 Å²	35	61.4 Å²	61.4	29%	0.289	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-40.8	175	0	0	0	0	0	111.8	P242 T243 V244	P242-A246 PolarHBondContact O-N 2.86Å; T243-A246 PolarHBondContact O-N 3.34Å; V244-A246 VanDerWaalsContact C-N 3.33Å; V244-A246 PolarHBondContact O-N 3.26Å
247	A	91	Very high	94.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-47.6	180	0	0	0	0	0	112.5	S210 L213 A214 T243 V244 K249 N250 C251	S210-A247 VanDerWaalsContact O-CB 3.23Å; S210-A247 WeakPolarHBondContact O-CB 3.2Å; L213-A247 HydrophobicContact CB-CB 4.09Å; L213-A247 HydrophobicContact CD2-CB 3.75Å; L213-A247 HydrophobicContact CG-CB 3.83Å; A214-A247 HydrophobicContact CB-CB 4.03Å; T243-A247 WeakPolarHBondContact O-CB 3.49Å; T243-A247 PolarHBondContact O-N 3.48Å; V244-A247 PolarHBondContact O-N 2.9Å; V244-A247 VanDerWaalsContact O-N 3.14Å; A247-K249 VanDerWaalsContact C-N 3.25Å; A247-K249 PolarHBondContact O-N 3.17Å; A247-N250 PolarHBondContact O-N 3.19Å; A247-C251 PolarHBondContact O-SG 2.92Å
248	V	97	Very high	94.8	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-25.1	-173.2	170.5	0	0	0	0	112.4	V225 V244 N250 C251 V254 V257 L272	V225-V248 HydrophobicContact CG2-CG2 4.1Å; V244-V248 HydrophobicContact CG1-CG2 3.8Å; V244-V248 WeakPolarHBondContact O-CB 3.22Å; V244-V248 VanDerWaalsContact O-CG2 3.31Å; V244-V248 WeakPolarHBondContact O-CG2 3.43Å; V244-V248 PolarHBondContact O-N 3.45Å; V248-N250 PolarHBondContact O-N 3.41Å; V248-N250 VanDerWaalsContact O-N 3.11Å; V248-C251 PolarHBondContact O-N 3.02Å; V248-V254 HydrophobicContact CG1-CB 4.06Å; V248-V254 HydrophobicContact CG1-CG1 3.9Å; V248-V254 HydrophobicContact CG2-CG1 4.18Å; V248-V257 HydrophobicContact CG1-CG2 4.42Å; V248-V257 HydrophobicContact CG2-CG2 4.08Å; V248-L272 HydrophobicContact CG1-CD1 3.72Å
249	K	95.6	Very high	95.4	Very high	173 Å²	173	44.4 Å²	44.4	75%	0.752	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.5	170.5	-75.4	169.8	-171.9	178	0	113.2	D245 A247	D245-K249 WeakPolarHBondContact O-CG 3.41Å; D245-K249 PolarHBondContact O-N 3.48Å; A247-K249 VanDerWaalsContact C-N 3.25Å; A247-K249 PolarHBondContact O-N 3.17Å
250	N	91.7	Very high	95.9	Very high	100 Å²	100	40.3 Å²	40.3	54%	0.535	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.7	179	-62.1	-44.9	0	0	0	112.7	A214 Q218 A247 V248 P252	A214-N250 HydrophobicContact CB-CB 4.47Å; Q218-N250 PolarHBondContact NE2-O 3.37Å; A247-N250 PolarHBondContact O-N 3.19Å; V248-N250 PolarHBondContact O-N 3.41Å; V248-N250 VanDerWaalsContact O-N 3.11Å; N250-P252 WeakPolarHBondContact O-CD 2.96Å
251	C	96.4	Very high	95.9	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.027	24%	0.241	C	C	.	.			trans	-121.6	80	-171.4	-58.4	0	0	0	0	111.2	I217 A247 V248 N253 V254	I217-C251 HydrophobicContact CG2-CB 3.57Å; I217-C251 WeakPolarHBondContact CG2-SG 3.41Å; A247-C251 PolarHBondContact O-SG 2.92Å; V248-C251 PolarHBondContact O-N 3.02Å; C251-N253 PolarHBondContact O-N 2.82Å; C251-N253 VanDerWaalsContact O-N 3.1Å; C251-V254 HydrophobicContact CB-CB 4.5Å; C251-V254 HydrophobicContact CB-CG2 3.77Å; C251-V254 PolarHBondContact O-N 3.15Å; C251-V254 VanDerWaalsContact O-N 3.08Å
252	P	94.8	Very high	95.8	Very high	122 Å²	122	46.9 Å²	46.9	79%	0.792	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.3	-171.7	26.8	-36.1	0	0	0	114.5	N250 V254	N250-P252 WeakPolarHBondContact O-CD 2.96Å; P252-V254 VanDerWaalsContact C-N 3.31Å
253	N	95.9	Very high	95.8	Very high	87 Å²	87	44.7 Å²	44.7	47%	0.465	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-16	177.8	-67.5	-13.3	0	0	0	113.2	C222 C251 Q255	C222-N253 CarbonylContact O-C 3.54Å; C251-N253 PolarHBondContact O-N 2.82Å; C251-N253 VanDerWaalsContact O-N 3.1Å; N253-Q255 PolarHBondContact O-N 3.21Å
254	V	98.4	Very high	96	Very high	8 Å²	8	49.6 Å²	49.6	5%	0.048	27%	0.265	C	S	.	.			trans	-75	117.7	-179.6	176.8	0	0	0	0	109.3	I217 K223 V225 V248 C251 P252 V257	I217-V254 HydrophobicContact CG2-CG2 3.52Å; K223-V254 WeakPolarHBondContact O-CA 3.26Å; V225-V254 HydrophobicContact CG2-CG1 4.03Å; V225-V254 HydrophobicContact CG2-CG2 4.1Å; V248-V254 HydrophobicContact CG1-CB 4.06Å; V248-V254 HydrophobicContact CG1-CG1 3.9Å; V248-V254 HydrophobicContact CG2-CG1 4.18Å; C251-V254 HydrophobicContact CB-CB 4.5Å; C251-V254 HydrophobicContact CB-CG2 3.77Å; C251-V254 PolarHBondContact O-N 3.15Å; C251-V254 VanDerWaalsContact O-N 3.08Å; P252-V254 VanDerWaalsContact C-N 3.31Å; V254-V257 HydrophobicContact CG1-CG2 4.09Å
255	Q	98.4	Very high	95.8	Very high	97 Å²	97	52.5 Å²	52.5	45%	0.453	28%	0.28	S	S	.	.			trans	-97.4	-31.2	-179.7	-60.8	180	-1.8	0	0	111.7	K223 N253 L272	K223-Q255 HydrophobicContact CG-CG 4.16Å; K223-Q255 PolarHBondContact O-N 3.39Å; N253-Q255 PolarHBondContact O-N 3.21Å; Q255-L272 WeakPolarHBondContact O-CD2 3.03Å
256	H	98.5	Very high	95.4	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.222	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	141.5	-173.9	-63.2	-57.9	0	0	0	112.1	H169 A224 V225 F258 L272 I274	H169-H256 PolarHBondContact O-CD2 3.16Å; H169-H256 PolarHBondContact O-NE2 2.94Å; A224-H256 VanDerWaalsContact CA-O 3.25Å; A224-H256 WeakPolarHBondContact CA-O 3.31Å; A224-H256 HydrophobicContact CB-CB 4.48Å; V225-H256 PolarHBondContact N-O 3.38Å; H256-F258 HydrophobicContact CB-CE2 3.97Å; H256-F258 HydrophobicContact CB-CZ 4.11Å; H256-L272 WeakPolarHBondContact CA-O 3.42Å; H256-I274 HydrophobicContact CB-CD1 3.85Å
257	V	98.8	Very high	95.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	108	171.2	-177.9	0	0	0	0	108.4	V225 T227 V244 V248 V254 V259 L272 D273 I274	V225-V257 HydrophobicContact CB-CG1 4.46Å; V225-V257 HydrophobicContact CB-CG2 4.43Å; V225-V257 CarbonylContact O-C 3.58Å; V225-V257 VanDerWaalsContact O-CA 3.32Å; V225-V257 WeakPolarHBondContact O-CA 3.49Å; T227-V257 HydrophobicContact CG2-CG1 4.03Å; V244-V257 HydrophobicContact CG1-CG1 3.78Å; V244-V257 HydrophobicContact CG1-CG2 4.41Å; V248-V257 HydrophobicContact CG1-CG2 4.42Å; V248-V257 HydrophobicContact CG2-CG2 4.08Å; V254-V257 HydrophobicContact CG1-CG2 4.09Å; V257-V259 HydrophobicContact CG1-CG2 4.01Å; V257-L272 HydrophobicContact CG2-CB 4.33Å; V257-L272 PolarHBondContact N-O 3.1Å; V257-D273 WeakPolarHBondContact CB-OD1 3.47Å; V257-D273 CarbonylContact O-C 3.48Å; V257-D273 VanDerWaalsContact O-CA 3.24Å; V257-D273 WeakPolarHBondContact O-CA 3.49Å; V257-I274 PolarHBondContact O-N 2.95Å
258	F	98.8	Very high	95.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.6	176.4	-61.2	-82	0	0	0	109.4	T165 L166 H169 A224 V225 I226 T227 H256 I274 L276	T165-F258 HydrophobicContact CG2-CD1 4.18Å; T165-F258 HydrophobicContact CG2-CE1 3.76Å; L166-F258 HydrophobicContact CD2-CD2 3.87Å; L166-F258 HydrophobicContact CD2-CE1 4.44Å; L166-F258 HydrophobicContact CD2-CE2 3.42Å; L166-F258 VanDerWaalsContact CD2-CE2 3.42Å; L166-F258 HydrophobicContact CD2-CZ 3.74Å; H169-F258 HydrophobicContact CB-CE1 4.3Å; H169-F258 HydrophobicContact CB-CZ 3.79Å; H169-F258 AromaticContact ND1-CE1 3.84Å; A224-F258 HydrophobicContact CB-CD2 4.31Å; A224-F258 HydrophobicContact CB-CE2 3.84Å; V225-F258 PolarHBondContact O-N 3.18Å; I226-F258 WeakPolarHBondContact CA-O 3.32Å; I226-F258 HydrophobicContact CB-CB 4.46Å; I226-F258 HydrophobicContact CG1-CB 4.15Å; I226-F258 HydrophobicContact CG1-CD2 4Å; I226-F258 HydrophobicContact CG1-CG 4.45Å; I226-F258 HydrophobicContact CG2-CB 4.32Å; T227-F258 PolarHBondContact N-O 3.11Å; H256-F258 HydrophobicContact CB-CE2 3.97Å; H256-F258 HydrophobicContact CB-CZ 4.11Å; F258-I274 HydrophobicContact CD1-CB 3.9Å; F258-I274 HydrophobicContact CD1-CD1 3.89Å; F258-I274 HydrophobicContact CD1-CG2 3.98Å; F258-I274 HydrophobicContact CE1-CB 4.22Å; F258-I274 HydrophobicContact CE1-CD1 3.39Å; F258-I274 HydrophobicContact CE1-CG1 4.42Å; F258-I274 HydrophobicContact CE1-CG2 4.18Å; F258-I274 HydrophobicContact CZ-CD1 3.85Å; F258-L276 HydrophobicContact CB-CD1 3.94Å; F258-L276 HydrophobicContact CB-CD2 4.45Å; F258-L276 HydrophobicContact CD1-CD1 3.89Å; F258-L276 HydrophobicContact CG-CD1 4.22Å
259	V	98.6	Very high	95.5	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.03	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	109.9	-173.9	-170	0	0	0	0	109.1	T227 K241 V257 T267 M269 D273 I274 L276	T227-V259 HydrophobicContact CG2-CG1 4.5Å; T227-V259 HydrophobicContact CG2-CG2 4.22Å; T227-V259 WeakPolarHBondContact O-CA 3.31Å; K241-V259 HydrophobicContact CD-CG1 4.17Å; K241-V259 HydrophobicContact CD-CG2 3.83Å; K241-V259 VanDerWaalsContact CE-CG2 3.44Å; V257-V259 HydrophobicContact CG1-CG2 4.01Å; V259-T267 HydrophobicContact CG1-CG2 4.22Å; V259-M269 HydrophobicContact CB-CE 3.92Å; V259-M269 HydrophobicContact CB-SD 4Å; V259-M269 HydrophobicContact CG1-SD 4.15Å; V259-M269 HydrophobicContact CG2-CE 3.88Å; V259-M269 HydrophobicContact CG2-SD 3.94Å; V259-D273 HydrophobicContact CG2-CB 4.16Å; V259-I274 PolarHBondContact N-O 2.79Å; V259-L276 WeakPolarHBondContact O-CB 3.4Å; V259-L276 PolarHBondContact O-N 2.88Å
260	A	97.8	Very high	95.4	Very high	3 Å²	3	57.5 Å²	57.5	3%	0.025	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	156.3	171.1	0	0	0	0	0	111.8	M181 T227 C228 N229 L276 E277	M181-A260 HydrophobicContact CE-CB 3.84Å; T227-A260 PolarHBondContact O-N 3.12Å; C228-A260 CarbonylContact C-O 3.59Å; C228-A260 WeakPolarHBondContact CA-O 3.41Å; C228-A260 HydrophobicContact CB-CB 4.06Å; C228-A260 VanDerWaalsContact CB-O 3.31Å; C228-A260 WeakPolarHBondContact CB-O 3.42Å; N229-A260 PolarHBondContact N-O 2.68Å; A260-L276 HydrophobicContact CB-CB 4.44Å; A260-L276 HydrophobicContact CB-CD2 4.12Å; A260-E277 VanDerWaalsContact CA-OE1 3.31Å; A260-E277 WeakPolarHBondContact CA-OE1 3.28Å; A260-E277 WeakPolarHBondContact CB-OE1 3.4Å
261	Q	95.2	Very high	95.6	Very high	93 Å²	93	63.3 Å²	63.3	44%	0.435	35%	0.352	S	S	.	.			trans	-104.4	103.8	178.8	-165.6	73.9	22.2	0	0	110.8	N229 T263 N265 E277	N229-Q261 PolarHBondContact ND2-NE2 3.08Å; Q261-T263 WeakPolarHBondContact CG-O 3.34Å; Q261-T263 PolarHBondContact NE2-O 3Å; Q261-N265 PolarHBondContact NE2-O 3.42Å; Q261-N265 VanDerWaalsContact NE2-O 3.09Å; Q261-E277 PolarHBondContact N-OE1 3.06Å; Q261-E277 PolarHBondContact N-OE2 3.48Å
262	R	94.6	Very high	95.6	Very high	46 Å²	46	66.4 Å²	66.4	17%	0.174	37%	0.368	C	S	.	.			trans	-93.9	-36.1	176.8	170.6	60.1	-173.3	86.4	-4.8	113.3	E143 C228 N229 Q230 V232 E370	E143-R262 IonicContact OE2-NH2 3.95Å; C228-R262 HydrophobicContact CB-CB 4.07Å; N229-R262 PolarHBondContact OD1-N 2.82Å; Q230-R262 WeakPolarHBondContact O-CB 3.47Å; Q230-R262 VanDerWaalsContact O-CG 3.31Å; Q230-R262 WeakPolarHBondContact O-CG 3.36Å; V232-R262 HydrophobicContact CG2-CG 4.34Å; R262-E370 IonicContact CZ-OE1 2.59Å; R262-E370 IonicContact CZ-OE2 3.13Å; R262-E370 IonicContact NE-OE1 3Å; R262-E370 PolarHBondContact NE-OE1 3.14Å; R262-E370 IonicContact NE-OE2 2.86Å; R262-E370 IonicContact NH2-OE1 3.16Å; R262-E370 PolarHBondContact NH2-OE1 3.4Å; R262-E370 IonicContact NH2-OE2 2.83Å; R262-E370 PolarHBondContact NH2-OE2 3.03Å
263	T	94.9	Very high	95.8	Very high	15 Å²	15	61.6 Å²	61.6	9%	0.092	34%	0.336	C	S	.	.	S	Bend	trans	-115.6	168.7	178.3	69.6	0	0	0	0	110.3	N229 Q230 V232 F237 Q261 N265	N229-T263 PolarHBondContact ND2-O 3.25Å; N229-T263 PolarHBondContact ND2-OG1 3.38Å; N229-T263 PolarHBondContact OD1-N 3.27Å; Q230-T263 HydrophobicContact CB-CG2 3.91Å; Q230-T263 PolarHBondContact OE1-OG1 3.01Å; V232-T263 HydrophobicContact CG2-CG2 3.65Å; F237-T263 HydrophobicContact CD1-CG2 3.82Å; F237-T263 HydrophobicContact CE1-CG2 3.75Å; Q261-T263 WeakPolarHBondContact CG-O 3.34Å; Q261-T263 PolarHBondContact NE2-O 3Å; T263-N265 PolarHBondContact O-N 3.39Å; T263-N265 PolarHBondContact OG1-N 3.25Å
264	T	93.3	Very high	95.9	Very high	139 Å²	139	58.3 Å²	58.3	85%	0.853	32%	0.318	S	S	*	.	S	Bend	trans	-78.8	-5.7	173.6	50.8	0	0	0	0	113.3
265	N	92.7	Very high	95.8	Very high	60 Å²	60	60.3 Å²	60.3	32%	0.321	33%	0.331	S	S	.	.	S	Bend	trans	-70.7	128.7	-179.3	-66.5	-33.8	0	0	0	110.2	N229 Q230 Q261 T263	N229-N265 PolarHBondContact ND2-O 3.07Å; Q230-N265 PolarHBondContact OE1-ND2 3Å; Q261-N265 PolarHBondContact NE2-O 3.42Å; Q261-N265 VanDerWaalsContact NE2-O 3.09Å; T263-N265 PolarHBondContact O-N 3.39Å; T263-N265 PolarHBondContact OG1-N 3.25Å
266	P	89.3	Confident	95.8	Very high	121 Å²	121	55.7 Å²	55.7	79%	0.786	31%	0.309	S	S	*	.			trans	-67.6	148	177.1	29.3	-34	0	0	0	110.1
267	T	92.3	Very high	95.7	Very high	27 Å²	27	57 Å²	57	17%	0.166	32%	0.315	C	S	.	.			trans	-127.6	141	172	-162.9	0	0	0	0	109.9	N229 K241 V259 M269	N229-T267 HydrophobicContact CB-CG2 3.63Å; K241-T267 HydrophobicContact CB-CG2 4.23Å; K241-T267 WeakPolarHBondContact CB-OG1 3.31Å; K241-T267 HydrophobicContact CG-CG2 3.92Å; K241-T267 WeakPolarHBondContact CG-OG1 3.23Å; V259-T267 HydrophobicContact CG1-CG2 4.22Å; T267-M269 HydrophobicContact CG2-SD 4.39Å; T267-M269 PolarHBondContact O-N 2.91Å
268	P	92.7	Very high	95.6	Very high	101 Å²	101	63 Å²	63	66%	0.656	34%	0.343	S	S	*	.			trans	-60.6	133	175.8	-23	34	0	0	0	111.8	K241	K241-P268 PolarHBondContact NZ-O 2.99Å
269	M	96.3	Very high	95.6	Very high	88 Å²	88	63.8 Å²	63.8	43%	0.433	35%	0.35	S	S	.	.			trans	-104.1	123.8	174.1	-61.7	-65.8	-79.4	0	0	109.3	V259 T267 D273 P275	V259-M269 HydrophobicContact CB-CE 3.92Å; V259-M269 HydrophobicContact CB-SD 4Å; V259-M269 HydrophobicContact CG1-SD 4.15Å; V259-M269 HydrophobicContact CG2-CE 3.88Å; V259-M269 HydrophobicContact CG2-SD 3.94Å; T267-M269 HydrophobicContact CG2-SD 4.39Å; T267-M269 PolarHBondContact O-N 2.91Å; M269-D273 WeakPolarHBondContact CA-OD2 3.49Å; M269-D273 HydrophobicContact CB-CB 4.33Å; M269-D273 HydrophobicContact CE-CB 3.48Å; M269-D273 VanDerWaalsContact CE-CB 3.48Å; M269-D273 HydrophobicContact SD-CB 4.02Å; M269-P275 HydrophobicContact CE-CB 4.35Å
270	G	94	Very high	95.6	Very high	43 Å²	43	64.3 Å²	64.3	44%	0.443	35%	0.352	S	S	.	.			trans	-92	-176	174	0	0	0	0	0	113	L272 D273	G270-L272 VanDerWaalsContact C-N 3.33Å; G270-L272 PolarHBondContact O-N 3.31Å; G270-D273 PolarHBondContact N-OD2 3.03Å; G270-D273 PolarHBondContact O-N 3.12Å
271	K	95.3	Very high	95.5	Very high	222 Å²	222	67.6 Å²	67.6	97%	0.965	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.1	-173.2	-65.9	-177.8	179.2	179.9	0	114.7	D273	K271-D273 VanDerWaalsContact C-N 3.31Å
272	L	96.9	Very high	95.5	Very high	68 Å²	68	67.1 Å²	67.1	36%	0.356	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.2	179.2	-57.4	174.2	0	0	0	111.7	V248 Q255 H256 V257 G270	V248-L272 HydrophobicContact CG1-CD1 3.72Å; Q255-L272 WeakPolarHBondContact O-CD2 3.03Å; H256-L272 WeakPolarHBondContact CA-O 3.42Å; V257-L272 HydrophobicContact CG2-CB 4.33Å; V257-L272 PolarHBondContact N-O 3.1Å; G270-L272 VanDerWaalsContact C-N 3.33Å; G270-L272 PolarHBondContact O-N 3.31Å
273	D	98.4	Very high	95.7	Very high	22 Å²	22	66 Å²	66	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	137.3	-164.7	-56.2	-14.3	0	0	0	111.7	K241 V257 V259 M269 G270 K271	K241-D273 VanDerWaalsContact CE-CG 3.49Å; K241-D273 WeakPolarHBondContact CE-OD2 3.48Å; K241-D273 IonicContact NZ-OD1 3.02Å; K241-D273 IonicContact NZ-OD2 3.53Å; K241-D273 PolarHBondContact NZ-OD2 2.89Å; V257-D273 WeakPolarHBondContact CB-OD1 3.47Å; V257-D273 CarbonylContact O-C 3.48Å; V257-D273 VanDerWaalsContact O-CA 3.24Å; V257-D273 WeakPolarHBondContact O-CA 3.49Å; V259-D273 HydrophobicContact CG2-CB 4.16Å; M269-D273 WeakPolarHBondContact CA-OD2 3.49Å; M269-D273 HydrophobicContact CB-CB 4.33Å; M269-D273 HydrophobicContact CE-CB 3.48Å; M269-D273 VanDerWaalsContact CE-CB 3.48Å; M269-D273 HydrophobicContact SD-CB 4.02Å; G270-D273 PolarHBondContact N-OD2 3.03Å; G270-D273 PolarHBondContact O-N 3.12Å; K271-D273 VanDerWaalsContact C-N 3.31Å
274	I	98.3	Very high	95.9	Very high	18 Å²	18	68.2 Å²	68.2	9%	0.092	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.4	179.2	-62.1	161.9	0	0	0	107.9	H169 H256 V257 F258 V259 L276 A279	H169-I274 HydrophobicContact CB-CD1 4.37Å; H169-I274 WeakPolarHBondContact CD2-CD1 3.37Å; H169-I274 WeakPolarHBondContact NE2-CD1 3.44Å; H256-I274 HydrophobicContact CB-CD1 3.85Å; V257-I274 PolarHBondContact O-N 2.95Å; F258-I274 HydrophobicContact CD1-CB 3.9Å; F258-I274 HydrophobicContact CD1-CD1 3.89Å; F258-I274 HydrophobicContact CD1-CG2 3.98Å; F258-I274 HydrophobicContact CE1-CB 4.22Å; F258-I274 HydrophobicContact CE1-CD1 3.39Å; F258-I274 HydrophobicContact CE1-CG1 4.42Å; F258-I274 HydrophobicContact CE1-CG2 4.18Å; F258-I274 HydrophobicContact CZ-CD1 3.85Å; V259-I274 PolarHBondContact N-O 2.79Å; I274-L276 PolarHBondContact O-N 2.92Å; I274-L276 VanDerWaalsContact O-N 3.1Å; I274-A279 HydrophobicContact CG2-CB 3.65Å
275	P	97.7	Very high	96.1	Very high	49 Å²	49	62.9 Å²	62.9	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	109.7	171.7	27	-31.9	0	0	0	109.1	M269 E277 E278 A279	M269-P275 HydrophobicContact CE-CB 4.35Å; P275-E277 PolarHBondContact O-N 2.87Å; P275-E278 HydrophobicContact CB-CB 4.24Å; P275-E278 HydrophobicContact CB-CG 4.24Å; P275-E278 HydrophobicContact CG-CB 4.13Å; P275-E278 HydrophobicContact CG-CG 4.45Å; P275-E278 PolarHBondContact O-N 3.5Å; P275-A279 WeakPolarHBondContact O-CB 3.46Å; P275-A279 PolarHBondContact O-N 3.17Å
276	L	98	Very high	96.4	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-65.8	-45.4	-163.6	-176	54.4	0	0	0	112.3	L162 T165 I186 I226 F258 V259 A260 I274 E278 A279 M280	L162-L276 HydrophobicContact CD1-CD1 3.59Å; L162-L276 HydrophobicContact CD1-CD2 4.23Å; L162-L276 HydrophobicContact CD1-CG 4.37Å; T165-L276 HydrophobicContact CG2-CD1 4.32Å; I186-L276 HydrophobicContact CD1-CD2 4.19Å; I186-L276 HydrophobicContact CG1-CD2 3.99Å; I226-L276 HydrophobicContact CG2-CD2 4.14Å; F258-L276 HydrophobicContact CB-CD1 3.94Å; F258-L276 HydrophobicContact CB-CD2 4.45Å; F258-L276 HydrophobicContact CD1-CD1 3.89Å; F258-L276 HydrophobicContact CG-CD1 4.22Å; V259-L276 WeakPolarHBondContact O-CB 3.4Å; V259-L276 PolarHBondContact O-N 2.88Å; A260-L276 HydrophobicContact CB-CB 4.44Å; A260-L276 HydrophobicContact CB-CD2 4.12Å; I274-L276 PolarHBondContact O-N 2.92Å; I274-L276 VanDerWaalsContact O-N 3.1Å; L276-E278 PolarHBondContact O-N 3.08Å; L276-A279 PolarHBondContact O-N 2.85Å; L276-M280 HydrophobicContact CD1-CG 4.05Å; L276-M280 HydrophobicContact CD1-SD 3.9Å; L276-M280 HydrophobicContact CD2-SD 4.34Å; L276-M280 HydrophobicContact CG-CG 4.38Å; L276-M280 HydrophobicContact CG-SD 3.75Å; L276-M280 WeakPolarHBondContact O-CB 3.26Å; L276-M280 VanDerWaalsContact O-CG 3.29Å; L276-M280 WeakPolarHBondContact O-CG 3.16Å; L276-M280 PolarHBondContact O-N 3.32Å
277	E	96.1	Very high	96.8	Very high	76 Å²	76	62.2 Å²	62.2	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-41.7	-178.9	-67.2	79.2	-177.3	0	0	111.8	A260 Q261 P275 M280 A281	A260-E277 VanDerWaalsContact CA-OE1 3.31Å; A260-E277 WeakPolarHBondContact CA-OE1 3.28Å; A260-E277 WeakPolarHBondContact CB-OE1 3.4Å; Q261-E277 PolarHBondContact N-OE1 3.06Å; Q261-E277 PolarHBondContact N-OE2 3.48Å; P275-E277 PolarHBondContact O-N 2.87Å; E277-M280 PolarHBondContact O-N 3.48Å; E277-A281 WeakPolarHBondContact O-CB 3.2Å; E277-A281 PolarHBondContact O-N 3.33Å
278	E	96.8	Very high	97.1	Very high	126 Å²	126	64.7 Å²	64.7	59%	0.589	38%	0.378	S	S	*	.	H	α-helix	trans	-66.9	-42	178.3	-62.7	-175.1	179.3	0	0	111.4	P275 L276 A281	P275-E278 HydrophobicContact CB-CB 4.24Å; P275-E278 HydrophobicContact CB-CG 4.24Å; P275-E278 HydrophobicContact CG-CB 4.13Å; P275-E278 HydrophobicContact CG-CG 4.45Å; P275-E278 PolarHBondContact O-N 3.5Å; L276-E278 PolarHBondContact O-N 3.08Å; E278-A281 PolarHBondContact O-N 2.96Å
279	A	97.8	Very high	97.4	Very high	17 Å²	17	61.8 Å²	61.8	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-45	176	0	0	0	0	0	111.6	T165 I274 P275 L276 A281 S282	T165-A279 HydrophobicContact CG2-CB 3.79Å; I274-A279 HydrophobicContact CG2-CB 3.65Å; P275-A279 WeakPolarHBondContact O-CB 3.46Å; P275-A279 PolarHBondContact O-N 3.17Å; L276-A279 PolarHBondContact O-N 2.85Å; A279-A281 PolarHBondContact O-N 3.42Å; A279-S282 PolarHBondContact O-N 3.1Å
280	M	98.3	Very high	97.5	Very high	17 Å²	17	61.2 Å²	61.2	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-67.5	-32.5	178.8	-74.9	175.7	61.6	0	0	113.7	T158 R161 L162 T165 I186 L276 E277 S282 E283	T158-M280 HydrophobicContact CG2-CE 3.77Å; T158-M280 WeakPolarHBondContact O-CE 3.29Å; R161-M280 HydrophobicContact CB-CB 4.25Å; R161-M280 HydrophobicContact CB-CE 4Å; R161-M280 HydrophobicContact CB-CG 4.47Å; R161-M280 PolarHBondContact NH1-O 3.48Å; L162-M280 HydrophobicContact CB-CE 3.96Å; L162-M280 HydrophobicContact CB-SD 4.06Å; L162-M280 HydrophobicContact CD1-CG 4.45Å; L162-M280 HydrophobicContact CD1-SD 3.96Å; L162-M280 HydrophobicContact CG-SD 4.49Å; T165-M280 WeakPolarHBondContact OG1-CA 3.44Å; T165-M280 WeakPolarHBondContact OG1-CG 3.25Å; I186-M280 HydrophobicContact CD1-CE 4.08Å; I186-M280 HydrophobicContact CD1-SD 3.92Å; L276-M280 HydrophobicContact CD1-CG 4.05Å; L276-M280 HydrophobicContact CD1-SD 3.9Å; L276-M280 HydrophobicContact CD2-SD 4.34Å; L276-M280 HydrophobicContact CG-CG 4.38Å; L276-M280 HydrophobicContact CG-SD 3.75Å; L276-M280 WeakPolarHBondContact O-CB 3.26Å; L276-M280 VanDerWaalsContact O-CG 3.29Å; L276-M280 WeakPolarHBondContact O-CG 3.16Å; L276-M280 PolarHBondContact O-N 3.32Å; E277-M280 PolarHBondContact O-N 3.48Å; M280-S282 PolarHBondContact O-N 2.67Å; M280-E283 PolarHBondContact O-N 3.12Å; M280-E283 VanDerWaalsContact O-N 3.08Å
281	A	97.2	Very high	97.7	Very high	72 Å²	72	61.5 Å²	61.5	60%	0.595	35%	0.349	S	S	*	.	H	α-helix	trans	-59.9	-27.8	178	0	0	0	0	0	112.2	E277 E278 A279	E277-A281 WeakPolarHBondContact O-CB 3.2Å; E277-A281 PolarHBondContact O-N 3.33Å; E278-A281 PolarHBondContact O-N 2.96Å; A279-A281 PolarHBondContact O-N 3.42Å
282	S	95.1	Very high	97.9	Very high	82 Å²	82	51.1 Å²	51.1	57%	0.573	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	3.7	179.7	-55.6	0	0	0	0	114.1	R168 A279 M280	R168-S282 PolarHBondContact NH2-O 3.4Å; A279-S282 PolarHBondContact O-N 3.1Å; M280-S282 PolarHBondContact O-N 2.67Å
283	E	98.3	Very high	97.9	Very high	22 Å²	22	48.7 Å²	48.7	10%	0.103	30%	0.296	C	S	.	.	S	Bend	trans	-101	159.3	179.8	-64.9	-61.9	172.2	0	0	113.2	R161 N164 T165 R168 M280	R161-E283 HydrophobicContact CB-CB 4.25Å; R161-E283 HydrophobicContact CG-CB 4.38Å; R161-E283 PolarHBondContact NH1-O 3.27Å; N164-E283 HydrophobicContact CB-CB 3.95Å; N164-E283 HydrophobicContact CB-CG 3.95Å; N164-E283 WeakPolarHBondContact CB-OE2 3.43Å; T165-E283 VanDerWaalsContact OG1-CG 3.22Å; T165-E283 WeakPolarHBondContact OG1-CG 3.48Å; R168-E283 WeakPolarHBondContact CD-OE1 3.35Å; R168-E283 IonicContact CZ-OE1 2.96Å; R168-E283 IonicContact CZ-OE2 2.93Å; R168-E283 IonicContact NE-OE1 3.74Å; R168-E283 PolarHBondContact NE-OE1 3.31Å; R168-E283 IonicContact NE-OE2 2.81Å; R168-E283 IonicContact NH1-OE1 2.73Å; R168-E283 PolarHBondContact NH1-OE1 2.73Å; R168-E283 IonicContact NH2-OE1 3.37Å; R168-E283 PolarHBondContact NH2-OE1 3.31Å; R168-E283 VanDerWaalsContact NH2-OE1 3.08Å; R168-E283 IonicContact NH2-OE2 3.45Å; R168-E283 PolarHBondContact NH2-OE2 3.14Å; M280-E283 PolarHBondContact O-N 3.12Å; M280-E283 VanDerWaalsContact O-N 3.08Å
284	S	98.3	Very high	98	Very high	63 Å²	63	47.8 Å²	47.8	44%	0.441	29%	0.291	S	S	.	.			trans	-68.9	142.9	170	-178.3	0	0	0	0	111.3	R161 N164 Q286	R161-S284 WeakPolarHBondContact CG-O 3.29Å; N164-S284 PolarHBondContact ND2-O 3.39Å; S284-Q286 PolarHBondContact O-N 2.75Å; S284-Q286 PolarHBondContact OG-N 3.46Å; S284-Q286 PolarHBondContact OG-O 2.95Å
285	A	98.3	Very high	98	Very high	26 Å²	26	48.8 Å²	48.8	22%	0.215	30%	0.295	C	S	.	.	S	Bend	trans	-72.6	-0.1	167.4	0	0	0	0	0	113.4	E157 C160	E157-A285 HydrophobicContact CB-CB 4.06Å; E157-A285 HydrophobicContact CG-CB 3.99Å; C160-A285 VanDerWaalsContact CB-C 3.5Å; C160-A285 WeakPolarHBondContact CB-O 3.47Å
286	Q	98.4	Very high	98	Very high	160 Å²	160	49.7 Å²	49.7	75%	0.748	30%	0.295	S	S	*	.			trans	-114.2	130.8	174.6	-61.7	178.6	-0.6	0	0	109.8	N164 S284	N164-Q286 PolarHBondContact ND2-O 2.81Å; S284-Q286 PolarHBondContact O-N 2.75Å; S284-Q286 PolarHBondContact OG-N 3.46Å; S284-Q286 PolarHBondContact OG-O 2.95Å
287	C	98.6	Very high	98	Very high	7 Å²	7	52.5 Å²	52.5	5%	0.047	31%	0.309	C	S	.	.			trans	-137.8	123.5	172.6	-174.2	0	0	0	0	107.7	C160 A163 N164 R196	C160-C287 HydrophobicContact CB-CB 3.74Å; A163-C287 HydrophobicContact CB-CB 4.23Å; N164-C287 PolarHBondContact OD1-SG 2.99Å; R196-C287 VanDerWaalsContact CZ-O 3.23Å; R196-C287 PolarHBondContact NE-O 2.9Å; R196-C287 PolarHBondContact NH2-O 2.94Å
288	A	98.4	Very high	98.2	Very high	80 Å²	80	48.9 Å²	48.9	66%	0.661	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-65.8	128.5	176.1	0	0	0	0	0	109.6
289	P	98.6	Very high	98.3	Very high	40 Å²	40	42.9 Å²	42.9	26%	0.26	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-72.3	137.7	177.6	30.3	-33.6	0	0	0	110.6	N118 V121 R196	N118-P289 HydrophobicContact CB-CB 4.07Å; V121-P289 HydrophobicContact CG2-CB 3.57Å; V121-P289 HydrophobicContact CG2-CG 3.54Å; R196-P289 HydrophobicContact CG-CB 4.18Å
290	E	98.5	Very high	98.2	Very high	76 Å²	76	42.1 Å²	42.1	36%	0.355	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-75	128	176	-171.7	62.8	-150.4	0	0	109.9	N118 K173 R196 M292	N118-E290 PolarHBondContact ND2-O 3Å; K173-E290 HydrophobicContact CD-CG 3.94Å; R196-E290 PolarHBondContact O-N 2.82Å; E290-M292 HydrophobicContact CB-SD 4.25Å; E290-M292 HydrophobicContact CG-SD 3.86Å; E290-M292 PolarHBondContact O-N 3.01Å
291	P	98.3	Very high	98	Very high	49 Å²	49	41.6 Å²	41.6	32%	0.318	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-65.1	118.1	170.8	-20.3	33.2	0	0	0	110.4	K173	K173-P291 PolarHBondContact NZ-O 3.29Å
292	M	98.7	Very high	97.4	Very high	3 Å²	3	39 Å²	39	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.4	-179.9	-58.1	-59.3	-69.3	0	0	110.5	Q116 L117 K173 G198 E290 E296 Q317	Q116-M292 CarbonylContact C-O 3.28Å; Q116-M292 WeakPolarHBondContact CA-O 3.42Å; L117-M292 PolarHBondContact N-O 3.34Å; L117-M292 WeakPolarHBondContact O-CA 3.42Å; L117-M292 WeakPolarHBondContact O-CB 3.32Å; L117-M292 PolarHBondContact O-N 3.29Å; L117-M292 VanDerWaalsContact O-O 3.1Å; K173-M292 HydrophobicContact CD-CE 4.36Å; K173-M292 HydrophobicContact CD-SD 3.95Å; K173-M292 WeakPolarHBondContact CE-SD 3.14Å; K173-M292 HydrophobicContact CG-CE 4.21Å; K173-M292 HydrophobicContact CG-SD 4.2Å; G198-M292 WeakPolarHBondContact CA-SD 3.49Å; E290-M292 HydrophobicContact CB-SD 4.25Å; E290-M292 HydrophobicContact CG-SD 3.86Å; E290-M292 PolarHBondContact O-N 3.01Å; M292-E296 WeakPolarHBondContact CA-OE2 3.4Å; M292-E296 HydrophobicContact CE-CB 3.84Å; M292-E296 VanDerWaalsContact CE-OE2 3.28Å; M292-E296 WeakPolarHBondContact CE-OE2 3.22Å; M292-Q317 HydrophobicContact CB-CG 3.81Å
293	G	98.8	Very high	96.4	Very high	18 Å²	18	36.1 Å²	36.1	19%	0.186	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	148.2	169.5	0	0	0	0	0	111.1	G115 E295 E296 Q317	G115-G293 WeakPolarHBondContact O-CA 3.27Å; G293-E295 PolarHBondContact O-N 3.34Å; G293-E295 VanDerWaalsContact O-N 3.1Å; G293-E296 PolarHBondContact N-OE2 3.21Å; G293-E296 PolarHBondContact O-N 2.98Å; G293-Q317 WeakPolarHBondContact O-CG 3.48Å
294	S	98.6	Very high	94.6	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-36.6	-178	66	0	0	0	0	113.9	W111 F112 G115 Q317 A318	W111-S294 WeakPolarHBondContact O-CB 3.31Å; W111-S294 PolarHBondContact O-OG 3.24Å; F112-S294 VanDerWaalsContact O-CB 3.29Å; F112-S294 WeakPolarHBondContact O-CB 3.16Å; F112-S294 PolarHBondContact O-OG 3.02Å; G115-S294 PolarHBondContact O-N 3.45Å; S294-Q317 PolarHBondContact O-N 2.96Å; S294-Q317 VanDerWaalsContact O-N 3.1Å; S294-A318 PolarHBondContact O-N 2.84Å
295	E	98.5	Very high	92.1	Very high	38 Å²	38	37.7 Å²	37.7	18%	0.178	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.8	-177.5	-66.4	-55.2	150	0	0	114.4	N110 W111 L113 G293 T316 R517	N110-E295 HydrophobicContact CB-CG 4.1Å; W111-E295 WeakPolarHBondContact CA-OE1 3.26Å; W111-E295 PolarHBondContact N-OE1 3.27Å; W111-E295 VanDerWaalsContact O-OE1 3.1Å; L113-E295 HydrophobicContact CD2-CG 4.04Å; G293-E295 PolarHBondContact O-N 3.34Å; G293-E295 VanDerWaalsContact O-N 3.1Å; E295-T316 VanDerWaalsContact O-CG2 3.23Å; E295-T316 WeakPolarHBondContact O-CG2 3.28Å; E295-T316 WeakPolarHBondContact OE2-CG2 3.47Å; E295-T316 PolarHBondContact OE2-OG1 3.37Å; E295-R517 IonicContact OE1-CZ 3.74Å; E295-R517 IonicContact OE1-NE 3.13Å; E295-R517 IonicContact OE1-NH2 3.4Å; E295-R517 PolarHBondContact OE1-NH2 3.48Å; E295-R517 IonicContact OE2-CZ 2.78Å; E295-R517 IonicContact OE2-NE 2.86Å; E295-R517 PolarHBondContact OE2-NE 2.97Å; E295-R517 IonicContact OE2-NH2 3.07Å; E295-R517 PolarHBondContact OE2-NH2 3Å
296	E	98.6	Very high	89.4	Confident	69 Å²	69	41.8 Å²	41.8	32%	0.322	25%	0.252	S	S	.	.	S	Bend	trans	-70.2	149.9	168.5	-67.7	-173	130.6	0	0	110.4	K173 M292 G293 L298 T316 Q317	K173-E296 VanDerWaalsContact CE-CD 3.41Å; K173-E296 WeakPolarHBondContact CE-OE1 3.27Å; K173-E296 WeakPolarHBondContact CE-OE2 3.49Å; K173-E296 VanDerWaalsContact NZ-CD 3.26Å; K173-E296 IonicContact NZ-OE1 2.76Å; K173-E296 PolarHBondContact NZ-OE1 3.47Å; K173-E296 IonicContact NZ-OE2 2.92Å; K173-E296 PolarHBondContact NZ-OE2 3.43Å; M292-E296 WeakPolarHBondContact CA-OE2 3.4Å; M292-E296 HydrophobicContact CE-CB 3.84Å; M292-E296 VanDerWaalsContact CE-OE2 3.28Å; M292-E296 WeakPolarHBondContact CE-OE2 3.22Å; G293-E296 PolarHBondContact N-OE2 3.21Å; G293-E296 PolarHBondContact O-N 2.98Å; E296-L298 PolarHBondContact O-N 3.38Å; E296-T316 VanDerWaalsContact O-CA 3.28Å; E296-T316 WeakPolarHBondContact O-CA 3.38Å; E296-T316 WeakPolarHBondContact O-CB 3.46Å; E296-Q317 WeakPolarHBondContact O-CG 3.18Å; E296-Q317 PolarHBondContact O-N 3.27Å
297	M	98.6	Very high	86.9	Confident	59 Å²	59	39 Å²	39	29%	0.291	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	131.1	-178	-67.6	-169.8	-74.7	0	0	110.7	V200 V314 Q317 F520	V200-M297 HydrophobicContact CG1-CB 4.15Å; V200-M297 HydrophobicContact CG2-CB 3.56Å; V200-M297 HydrophobicContact CG2-CE 4.25Å; M297-V314 HydrophobicContact CB-CG1 4.44Å; M297-V314 HydrophobicContact CG-CG1 3.66Å; M297-V314 HydrophobicContact SD-CG1 3.95Å; M297-V314 HydrophobicContact SD-CG2 4.37Å; M297-Q317 PolarHBondContact O-NE2 3.33Å; M297-Q317 VanDerWaalsContact O-NE2 3.15Å; M297-F520 HydrophobicContact CE-CE2 4.12Å; M297-F520 HydrophobicContact SD-CD2 4.07Å; M297-F520 HydrophobicContact SD-CE2 4.25Å
298	L	98.8	Very high	84.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-51.8	171.2	176.4	63.4	0	0	0	110.2	V119 A195 E296 H315 Y320 Y357	V119-L298 HydrophobicContact CB-CD1 4Å; V119-L298 HydrophobicContact CG1-CD1 4.15Å; V119-L298 HydrophobicContact CG1-CD2 4.32Å; V119-L298 HydrophobicContact CG2-CD1 3.97Å; V119-L298 HydrophobicContact CG2-CD2 4.12Å; A195-L298 HydrophobicContact CB-CD1 3.63Å; E296-L298 PolarHBondContact O-N 3.38Å; L298-H315 PolarHBondContact N-O 3.49Å; L298-Y320 HydrophobicContact CD2-CD1 3.85Å; L298-Y320 HydrophobicContact CD2-CE1 4.36Å; L298-Y357 HydrophobicContact CD2-CE1 4.34Å; L298-Y357 HydrophobicContact CD2-CE2 4.43Å
299	F	98.8	Very high	82.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	164.2	-179.4	71.8	-89.9	0	0	0	112.2	H201 L301 H315 Y320 H352 Y357	H201-F299 WeakPolarHBondContact CE1-CB 3.36Å; H201-F299 AromaticContact CE1-CG 3.87Å; H201-F299 WeakPolarHBondContact NE2-CB 3.4Å; H201-F299 VanDerWaalsContact O-CA 3.26Å; H201-F299 WeakPolarHBondContact O-CA 3.39Å; H201-F299 WeakPolarHBondContact O-CB 3.46Å; F299-L301 HydrophobicContact CD2-CB 4.17Å; F299-L301 HydrophobicContact CE2-CB 3.98Å; F299-H315 HydrophobicContact CD1-CB 3.99Å; F299-H315 HydrophobicContact CE1-CB 3.44Å; F299-H315 VanDerWaalsContact CE1-CB 3.44Å; F299-H315 HydrophobicContact CE2-CB 4.16Å; F299-H315 AromaticContact CE2-CD2 3.69Å; F299-H315 HydrophobicContact CZ-CB 3.55Å; F299-H315 AromaticContact CZ-CD2 3.4Å; F299-H315 VanDerWaalsContact CZ-CD2 3.4Å; F299-H315 WeakPolarHBondContact CZ-CD2 3.3Å; F299-H315 AromaticContact CZ-CG 3.66Å; F299-H315 PolarHBondContact N-O 3.19Å; F299-H315 PolarHBondContact O-N 3.02Å; F299-Y320 AromaticContact CE1-CD1 3.85Å; F299-Y320 HydrophobicContact CE1-CD1 3.85Å; F299-Y320 AromaticContact CE1-CD2 3.89Å; F299-Y320 HydrophobicContact CE1-CD2 3.89Å; F299-Y320 AromaticContact CE1-CE1 3.56Å; F299-Y320 HydrophobicContact CE1-CE1 3.56Å; F299-Y320 AromaticContact CE1-CE2 3.58Å; F299-Y320 HydrophobicContact CE1-CE2 3.58Å; F299-Y320 HydrophobicContact CE1-CG 4.01Å; F299-Y320 AromaticContact CE1-CZ 3.4Å; F299-Y320 HydrophobicContact CZ-CD2 4.05Å; F299-Y320 HydrophobicContact CZ-CE1 4.22Å; F299-Y320 AromaticContact CZ-CE2 3.47Å; F299-Y320 HydrophobicContact CZ-CE2 3.47Å; F299-Y320 VanDerWaalsContact CZ-CE2 3.47Å; F299-Y320 AromaticContact CZ-CZ 3.56Å; F299-H352 AromaticContact CD2-CD2 3.66Å; F299-H352 AromaticContact CD2-NE2 3.91Å; F299-H352 AromaticContact CE2-CD2 3.65Å; F299-Y357 HydrophobicContact CD1-CE2 4.4Å
300	M	97.3	Very high	81	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.1	166.2	-60.8	-176.4	-60.3	0	0	109.8	R176 V200 H201 T202 A220 I313 V314 F520	R176-M300 HydrophobicContact CB-CE 4.38Å; R176-M300 HydrophobicContact CG-CE 3.47Å; R176-M300 VanDerWaalsContact CG-CE 3.47Å; V200-M300 HydrophobicContact CG1-CE 4.47Å; V200-M300 HydrophobicContact CG1-CG 3.98Å; H201-M300 PolarHBondContact O-N 3.46Å; T202-M300 WeakPolarHBondContact CA-O 3.39Å; A220-M300 HydrophobicContact CB-CE 3.23Å; M300-I313 CarbonylContact C-O 3.51Å; M300-I313 VanDerWaalsContact CA-O 3.28Å; M300-I313 WeakPolarHBondContact CA-O 3.44Å; M300-V314 HydrophobicContact CG-CG2 4.17Å; M300-F520 HydrophobicContact SD-CB 3.62Å; M300-F520 HydrophobicContact SD-CD1 3.99Å; M300-F520 HydrophobicContact SD-CD2 3.65Å; M300-F520 HydrophobicContact SD-CE2 4.31Å; M300-F520 HydrophobicContact SD-CG 3.47Å; M300-F520 WeakPolarHBondContact SD-CG 3.46Å
301	L	93.1	Very high	80.1	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.6	173.5	-171.9	61.1	0	0	0	110.4	F299 T303 I313 V349 T455	F299-L301 HydrophobicContact CD2-CB 4.17Å; F299-L301 HydrophobicContact CE2-CB 3.98Å; L301-T303 PolarHBondContact O-N 2.82Å; L301-I313 PolarHBondContact N-O 3.38Å; L301-I313 WeakPolarHBondContact O-CB 3.44Å; L301-I313 PolarHBondContact O-N 3.44Å; L301-V349 HydrophobicContact CD2-CB 3.73Å; L301-V349 HydrophobicContact CD2-CG2 4.42Å; L301-T455 HydrophobicContact CB-CG2 4.26Å; L301-T455 HydrophobicContact CD2-CG2 3.86Å; L301-T455 HydrophobicContact CG-CG2 4.25Å
302	H	85.4	Confident	79.7	Confident	18 Å²	18	40 Å²	40	8%	0.083	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	115.9	-174.2	-71.3	87.6	0	0	0	112	T202 R216 D219 P310 K311	T202-H302 PolarHBondContact OG1-CE1 3.35Å; T202-H302 PolarHBondContact OG1-ND1 2.82Å; R216-H302 HydrophobicContact CG-CB 3.87Å; D219-H302 IonicContact OD2-CD2 3.81Å; D219-H302 IonicContact OD2-NE2 2.76Å; D219-H302 PolarHBondContact OD2-NE2 2.84Å; H302-P310 HydrophobicContact CB-CB 4.34Å; H302-K311 VanDerWaalsContact CA-O 3.26Å; H302-K311 WeakPolarHBondContact CA-O 3.45Å
303	T	73.3	Confident	79.6	Confident	21 Å²	21	39.9 Å²	39.9	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	158.3	172.4	66.8	0	0	0	0	111.6	L301 G305 K311 I313 T455	L301-T303 PolarHBondContact O-N 2.82Å; T303-G305 PolarHBondContact O-N 3.22Å; T303-K311 PolarHBondContact N-O 2.74Å; T303-K311 PolarHBondContact O-N 3.29Å; T303-I313 HydrophobicContact CG2-CG1 3.82Å; T303-T455 HydrophobicContact CG2-CG2 3.55Å
304	S	60	Low	79.5	Confident	107 Å²	107	39.2 Å²	39.2	75%	0.748	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-74.2	119.2	172.9	45.4	0	0	0	0	109.9
305	G	46.8	Very low	79.6	Confident	11 Å²	11	39.1 Å²	39.1	11%	0.113	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-80	149.8	171.5	0	0	0	0	0	112	T303 T307 G308	T303-G305 PolarHBondContact O-N 3.22Å; G305-T307 PolarHBondContact O-N 2.9Å; G305-T307 VanDerWaalsContact O-N 3.16Å; G305-G308 PolarHBondContact O-N 3.09Å
306	S	40.7	Very low	79.6	Confident	111 Å²	111	37.4 Å²	37.4	78%	0.776	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.7	169.2	48.5	0	0	0	0	112.7
307	T	46.2	Very low	79.6	Confident	101 Å²	101	34.1 Å²	34.1	62%	0.62	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	4.7	179	61.1	0	0	0	0	114.6	G305 K309 R525	G305-T307 PolarHBondContact O-N 2.9Å; G305-T307 VanDerWaalsContact O-N 3.16Å; T307-K309 VanDerWaalsContact C-N 3.29Å; T307-K309 PolarHBondContact O-N 3.04Å; T307-R525 PolarHBondContact OG1-NH2 3.06Å
308	G	48.3	Very low	79.6	Confident	65 Å²	65	31.3 Å²	31.3	67%	0.67	20%	0.2	S	C	*	.	S	Bend	trans	83.1	-26.1	176.6	0	0	0	0	0	116.2	G305	G305-G308 PolarHBondContact O-N 3.09Å
309	K	57	Low	79.6	Confident	156 Å²	156	31.3 Å²	31.3	68%	0.678	20%	0.2	S	C	*	.	S	Bend	trans	-74	131.1	172	-70.1	-172.8	179.9	-176.9	0	111.1	T307 R525	T307-K309 VanDerWaalsContact C-N 3.29Å; T307-K309 PolarHBondContact O-N 3.04Å; K309-R525 PolarHBondContact O-NH2 2.8Å
310	P	67	Low	79.6	Confident	30 Å²	30	31.4 Å²	31.4	20%	0.195	20%	0.2	C	C	.	.			trans	-50.8	150	172.8	-25.9	34.6	0	0	0	112.1	R216 H302	R216-P310 HydrophobicContact CG-CB 4.29Å; R216-P310 HydrophobicContact CG-CG 4.3Å; H302-P310 HydrophobicContact CB-CB 4.34Å
311	K	78.6	Confident	79.7	Confident	24 Å²	24	31.4 Å²	31.4	10%	0.104	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	105.8	174	-65.8	171.1	176.7	-179.3	0	108.6	H302 T303 I313 I519 R525	H302-K311 VanDerWaalsContact CA-O 3.26Å; H302-K311 WeakPolarHBondContact CA-O 3.45Å; T303-K311 PolarHBondContact N-O 2.74Å; T303-K311 PolarHBondContact O-N 3.29Å; K311-I313 HydrophobicContact CB-CD1 4.26Å; K311-I313 PolarHBondContact O-N 2.84Å; K311-I519 HydrophobicContact CB-CD1 4.44Å; K311-I519 HydrophobicContact CB-CG2 4.4Å; K311-I519 HydrophobicContact CD-CD1 4.18Å; K311-I519 HydrophobicContact CG-CD1 4.23Å; K311-R525 VanDerWaalsContact CG-CZ 3.46Å
312	G	90.2	Very high	79.9	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	89.8	171.8	0	0	0	0	0	111.2	V314 I519 F520	G312-V314 PolarHBondContact O-N 3.01Å; G312-I519 WeakPolarHBondContact O-CA 3.21Å; G312-F520 PolarHBondContact O-N 3Å
313	I	96.2	Very high	80.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.2	177.1	-58.8	-57.6	0	0	0	108.9	M300 L301 T303 K311 T455 E456 A516 I519	M300-I313 CarbonylContact C-O 3.51Å; M300-I313 VanDerWaalsContact CA-O 3.28Å; M300-I313 WeakPolarHBondContact CA-O 3.44Å; L301-I313 PolarHBondContact N-O 3.38Å; L301-I313 WeakPolarHBondContact O-CB 3.44Å; L301-I313 PolarHBondContact O-N 3.44Å; T303-I313 HydrophobicContact CG2-CG1 3.82Å; K311-I313 HydrophobicContact CB-CD1 4.26Å; K311-I313 PolarHBondContact O-N 2.84Å; I313-T455 HydrophobicContact CB-CG2 4.14Å; I313-T455 HydrophobicContact CG1-CG2 4.18Å; I313-T455 HydrophobicContact CG2-CG2 4.22Å; I313-E456 HydrophobicContact CD1-CG 3.97Å; I313-E456 HydrophobicContact CG1-CG 4.31Å; I313-E456 HydrophobicContact CG2-CG 4.33Å; I313-A516 HydrophobicContact CG2-CB 3.42Å; I313-A516 VanDerWaalsContact CG2-CB 3.42Å; I313-I519 HydrophobicContact CD1-CG1 3.97Å
314	V	98.6	Very high	81.8	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.4	-175.7	178.9	0	0	0	0	111.3	M297 M300 G312 A516 R517 T518 F520	M297-V314 HydrophobicContact CB-CG1 4.44Å; M297-V314 HydrophobicContact CG-CG1 3.66Å; M297-V314 HydrophobicContact SD-CG1 3.95Å; M297-V314 HydrophobicContact SD-CG2 4.37Å; M300-V314 HydrophobicContact CG-CG2 4.17Å; G312-V314 PolarHBondContact O-N 3.01Å; V314-A516 WeakPolarHBondContact O-CA 3.07Å; V314-R517 PolarHBondContact O-N 2.79Å; V314-T518 HydrophobicContact CB-CG2 3.81Å; V314-T518 HydrophobicContact CG1-CG2 4.37Å; V314-T518 HydrophobicContact CG2-CG2 3.67Å; V314-T518 PolarHBondContact N-O 3.49Å; V314-F520 HydrophobicContact CG2-CB 3.88Å
315	H	98.9	Very high	83.6	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.3	168.4	-77.8	-74.1	0	0	0	110.8	L298 F299 Y320 T455 G514 A516	L298-H315 PolarHBondContact N-O 3.49Å; F299-H315 HydrophobicContact CD1-CB 3.99Å; F299-H315 HydrophobicContact CE1-CB 3.44Å; F299-H315 VanDerWaalsContact CE1-CB 3.44Å; F299-H315 HydrophobicContact CE2-CB 4.16Å; F299-H315 AromaticContact CE2-CD2 3.69Å; F299-H315 HydrophobicContact CZ-CB 3.55Å; F299-H315 AromaticContact CZ-CD2 3.4Å; F299-H315 VanDerWaalsContact CZ-CD2 3.4Å; F299-H315 WeakPolarHBondContact CZ-CD2 3.3Å; F299-H315 AromaticContact CZ-CG 3.66Å; F299-H315 PolarHBondContact N-O 3.19Å; F299-H315 PolarHBondContact O-N 3.02Å; H315-Y320 HydrophobicContact CB-CD2 3.87Å; H315-Y320 HydrophobicContact CB-CE2 4.49Å; H315-Y320 HydrophobicContact CB-CG 4.17Å; H315-Y320 AromaticContact CG-CD2 3.64Å; H315-Y320 AromaticContact ND1-CD2 3.51Å; H315-T455 PolarHBondContact NE2-O 3.21Å; H315-G514 PolarHBondContact CE1-O 2.79Å; H315-G514 PolarHBondContact ND1-O 3.28Å; H315-A516 PolarHBondContact CE1-N 2.96Å
316	T	98.8	Very high	86	Confident	3 Å²	3	23.8 Å²	23.8	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-177.4	-175.5	56.7	0	0	0	0	112.3	E295 E296 Y320 R517	E295-T316 VanDerWaalsContact O-CG2 3.23Å; E295-T316 WeakPolarHBondContact O-CG2 3.28Å; E295-T316 WeakPolarHBondContact OE2-CG2 3.47Å; E295-T316 PolarHBondContact OE2-OG1 3.37Å; E296-T316 VanDerWaalsContact O-CA 3.28Å; E296-T316 WeakPolarHBondContact O-CA 3.38Å; E296-T316 WeakPolarHBondContact O-CB 3.46Å; T316-Y320 WeakPolarHBondContact O-CB 3.43Å; T316-R517 HydrophobicContact CG2-CB 4.4Å; T316-R517 HydrophobicContact CG2-CG 3.51Å; T316-R517 PolarHBondContact OG1-NE 3.12Å; T316-R517 PolarHBondContact OG1-NH2 3.42Å
317	Q	98.8	Very high	88.8	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-71.9	-69	-167.7	-59	-73.5	-35.7	0	0	113	L117 V119 M292 G293 S294 E296 M297 L321	L117-Q317 HydrophobicContact CD2-CB 3.92Å; V119-Q317 HydrophobicContact CG2-CB 4.19Å; M292-Q317 HydrophobicContact CB-CG 3.81Å; G293-Q317 WeakPolarHBondContact O-CG 3.48Å; S294-Q317 PolarHBondContact O-N 2.96Å; S294-Q317 VanDerWaalsContact O-N 3.1Å; E296-Q317 WeakPolarHBondContact O-CG 3.18Å; E296-Q317 PolarHBondContact O-N 3.27Å; M297-Q317 PolarHBondContact O-NE2 3.33Å; M297-Q317 VanDerWaalsContact O-NE2 3.15Å; Q317-L321 VanDerWaalsContact O-CB 3.32Å; Q317-L321 WeakPolarHBondContact O-CB 3.37Å; Q317-L321 PolarHBondContact O-N 2.93Å
318	A	98.8	Very high	91.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-78.4	-47.7	-163.7	0	0	0	0	0	112.9	L90 W92 F112 L117 S294 Y320 L321 L322	L90-A318 HydrophobicContact CD1-CB 4.45Å; W92-A318 HydrophobicContact CH2-CB 3.57Å; W92-A318 HydrophobicContact CZ2-CB 4.4Å; W92-A318 HydrophobicContact CZ3-CB 4.18Å; F112-A318 HydrophobicContact CD2-CB 3.8Å; L117-A318 HydrophobicContact CD1-CB 4Å; L117-A318 HydrophobicContact CD2-CB 3.8Å; S294-A318 PolarHBondContact O-N 2.84Å; A318-Y320 PolarHBondContact O-N 2.83Å; A318-L321 PolarHBondContact O-N 3.14Å; A318-L322 WeakPolarHBondContact O-CB 3.5Å; A318-L322 PolarHBondContact O-N 3.05Å
319	G	98.7	Very high	93.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.1	-45.7	-176.1	0	0	0	0	0	112.6	Y323 P513	G319-Y323 VanDerWaalsContact O-CB 3.28Å; G319-Y323 WeakPolarHBondContact O-CB 3.29Å; G319-Y323 PolarHBondContact O-N 3.43Å; G319-Y323 VanDerWaalsContact O-N 3.1Å; G319-P513 CarbonylContact C-O 3.59Å; G319-P513 VanDerWaalsContact C-O 3.25Å; G319-P513 WeakPolarHBondContact CA-O 3.3Å; G319-P513 CarbonylContact O-C 3.52Å
320	Y	98.9	Very high	95.4	Very high	1 Å²	1	4.4 Å²	4.4	0%	0.004	2%	0.023	C	C	.	.	H	α-helix	trans	-61.8	-51.3	175.9	177.3	-92.5	0	0	0	112	L298 F299 H315 T316 A318 L322 Y323 A324 H352 S353 Y357	L298-Y320 HydrophobicContact CD2-CD1 3.85Å; L298-Y320 HydrophobicContact CD2-CE1 4.36Å; F299-Y320 AromaticContact CE1-CD1 3.85Å; F299-Y320 HydrophobicContact CE1-CD1 3.85Å; F299-Y320 AromaticContact CE1-CD2 3.89Å; F299-Y320 HydrophobicContact CE1-CD2 3.89Å; F299-Y320 AromaticContact CE1-CE1 3.56Å; F299-Y320 HydrophobicContact CE1-CE1 3.56Å; F299-Y320 AromaticContact CE1-CE2 3.58Å; F299-Y320 HydrophobicContact CE1-CE2 3.58Å; F299-Y320 HydrophobicContact CE1-CG 4.01Å; F299-Y320 AromaticContact CE1-CZ 3.4Å; F299-Y320 HydrophobicContact CZ-CD2 4.05Å; F299-Y320 HydrophobicContact CZ-CE1 4.22Å; F299-Y320 AromaticContact CZ-CE2 3.47Å; F299-Y320 HydrophobicContact CZ-CE2 3.47Å; F299-Y320 VanDerWaalsContact CZ-CE2 3.47Å; F299-Y320 AromaticContact CZ-CZ 3.56Å; H315-Y320 HydrophobicContact CB-CD2 3.87Å; H315-Y320 HydrophobicContact CB-CE2 4.49Å; H315-Y320 HydrophobicContact CB-CG 4.17Å; H315-Y320 AromaticContact CG-CD2 3.64Å; H315-Y320 AromaticContact ND1-CD2 3.51Å; T316-Y320 WeakPolarHBondContact O-CB 3.43Å; A318-Y320 PolarHBondContact O-N 2.83Å; Y320-L322 PolarHBondContact O-N 2.91Å; Y320-Y323 PolarHBondContact O-N 3.15Å; Y320-A324 WeakPolarHBondContact O-CB 3.26Å; Y320-A324 PolarHBondContact O-N 3.05Å; Y320-H352 VanDerWaalsContact OH-CB 3.3Å; Y320-H352 WeakPolarHBondContact OH-CB 3.25Å; Y320-S353 PolarHBondContact OH-N 3.27Å; Y320-S353 PolarHBondContact OH-OG 3.02Å; Y320-Y357 AromaticContact CE1-CD2 3.53Å; Y320-Y357 HydrophobicContact CE1-CD2 3.53Å; Y320-Y357 HydrophobicContact CE1-CE2 4.16Å; Y320-Y357 AromaticContact CE1-CG 3.91Å; Y320-Y357 HydrophobicContact CE1-CG 3.91Å
321	L	98.9	Very high	96.9	Very high	0 Å²	0	3 Å²	3	0%	0	1%	0.014	C	C	.	.	H	α-helix	trans	-61.9	-46.5	-176.4	-177.7	65.6	0	0	0	111.6	L90 V119 N122 Q317 A318 Y323 A325 Y357 C361	L90-L321 HydrophobicContact CD2-CD2 3.9Å; L90-L321 HydrophobicContact CD2-CG 4.21Å; V119-L321 HydrophobicContact CB-CD2 4.37Å; V119-L321 HydrophobicContact CG1-CD1 4.15Å; V119-L321 HydrophobicContact CG1-CD2 4.23Å; V119-L321 HydrophobicContact CG2-CB 4.32Å; V119-L321 HydrophobicContact CG2-CD2 4.02Å; N122-L321 HydrophobicContact CB-CD2 3.58Å; Q317-L321 VanDerWaalsContact O-CB 3.32Å; Q317-L321 WeakPolarHBondContact O-CB 3.37Å; Q317-L321 PolarHBondContact O-N 2.93Å; A318-L321 PolarHBondContact O-N 3.14Å; L321-Y323 VanDerWaalsContact C-N 3.33Å; L321-Y323 PolarHBondContact O-N 3.45Å; L321-A325 VanDerWaalsContact O-CB 3.29Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 3.4Å; L321-Y357 HydrophobicContact CD1-CD1 4.33Å; L321-C361 HydrophobicContact CD1-CB 3.83Å; L321-C361 HydrophobicContact CG-CB 4.44Å
322	L	98.8	Very high	97.8	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-59.7	-47.2	178.6	-179.9	66.1	0	0	0	111	W82 I85 A86 R89 L90 F112 A318 Y320 A325 L326	W82-L322 HydrophobicContact CE3-CD2 3.86Å; W82-L322 HydrophobicContact CZ3-CD2 4.26Å; I85-L322 HydrophobicContact CG2-CD1 3.84Å; A86-L322 HydrophobicContact CB-CD2 3.8Å; R89-L322 HydrophobicContact CB-CD1 4.21Å; L90-L322 HydrophobicContact CD1-CB 4.03Å; L90-L322 HydrophobicContact CG-CD1 4.33Å; F112-L322 HydrophobicContact CE2-CD2 4.05Å; F112-L322 HydrophobicContact CZ-CD2 3.65Å; A318-L322 WeakPolarHBondContact O-CB 3.5Å; A318-L322 PolarHBondContact O-N 3.05Å; Y320-L322 PolarHBondContact O-N 2.91Å; L322-A325 PolarHBondContact O-N 2.77Å; L322-L326 HydrophobicContact CD1-CD1 4.41Å; L322-L326 HydrophobicContact CD1-CG 4.37Å; L322-L326 HydrophobicContact CG-CD1 4.37Å; L322-L326 WeakPolarHBondContact O-CG 3.17Å; L322-L326 PolarHBondContact O-N 2.93Å
323	Y	98.8	Very high	98	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.6	-48.7	-177.6	-166.4	-108.5	0	0	0	111.5	W82 G319 Y320 L321 A325 L326 T327 V460 F482 I485 W512	W82-Y323 AromaticContact CH2-CD2 3.71Å; W82-Y323 HydrophobicContact CH2-CD2 3.71Å; W82-Y323 HydrophobicContact CH2-CE2 4.01Å; W82-Y323 HydrophobicContact CZ2-CD2 4.44Å; W82-Y323 HydrophobicContact CZ2-CE2 4.47Å; W82-Y323 HydrophobicContact CZ3-CD2 4.34Å; G319-Y323 VanDerWaalsContact O-CB 3.28Å; G319-Y323 WeakPolarHBondContact O-CB 3.29Å; G319-Y323 PolarHBondContact O-N 3.43Å; G319-Y323 VanDerWaalsContact O-N 3.1Å; Y320-Y323 PolarHBondContact O-N 3.15Å; L321-Y323 VanDerWaalsContact C-N 3.33Å; L321-Y323 PolarHBondContact O-N 3.45Å; Y323-A325 VanDerWaalsContact C-N 3.32Å; Y323-A325 PolarHBondContact O-N 3.34Å; Y323-L326 PolarHBondContact O-N 2.63Å; Y323-T327 HydrophobicContact CD1-CG2 4.2Å; Y323-T327 HydrophobicContact CE1-CG2 3.85Å; Y323-T327 HydrophobicContact CE2-CG2 4.31Å; Y323-T327 WeakPolarHBondContact O-CG2 3.31Å; Y323-T327 PolarHBondContact O-N 3.29Å; Y323-T327 PolarHBondContact O-OG1 2.95Å; Y323-T327 VanDerWaalsContact O-OG1 3.07Å; Y323-V460 PolarHBondContact OH-O 3.41Å; Y323-F482 AromaticContact CE2-CD1 3.75Å; Y323-F482 HydrophobicContact CE2-CD1 3.75Å; Y323-F482 HydrophobicContact CE2-CE1 4.08Å; Y323-F482 AromaticContact CZ-CD1 3.95Å; Y323-I485 WeakPolarHBondContact OH-CD1 3.44Å; Y323-I485 WeakPolarHBondContact OH-CG1 3.44Å; Y323-W512 AromaticContact CE1-CD1 3.97Å; Y323-W512 AromaticContact CE2-CD1 3.75Å; Y323-W512 AromaticContact CZ-CD1 3.71Å
324	A	98.8	Very high	98	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61.2	-38.3	177.4	0	0	0	0	0	112.7	Y320 T327 H328	Y320-A324 WeakPolarHBondContact O-CB 3.26Å; Y320-A324 PolarHBondContact O-N 3.05Å; A324-T327 PolarHBondContact O-OG1 2.86Å; A324-H328 WeakPolarHBondContact O-CB 3.12Å; A324-H328 PolarHBondContact O-N 2.69Å
325	A	98.5	Very high	97.8	Very high	4 Å²	4	8.3 Å²	8.3	3%	0.033	4%	0.042	C	C	.	.	H	α-helix	trans	-66	-42.7	176.4	0	0	0	0	0	112	L321 L322 Y323 Q329 C361 N362	L321-A325 VanDerWaalsContact O-CB 3.29Å; L321-A325 WeakPolarHBondContact O-CB 3.42Å; L321-A325 PolarHBondContact O-N 3.4Å; L322-A325 PolarHBondContact O-N 2.77Å; Y323-A325 VanDerWaalsContact C-N 3.32Å; Y323-A325 PolarHBondContact O-N 3.34Å; A325-Q329 WeakPolarHBondContact O-CB 3.45Å; A325-Q329 PolarHBondContact O-N 3.48Å; A325-Q329 VanDerWaalsContact O-N 3.09Å; A325-C361 HydrophobicContact CB-CB 3.96Å; A325-N362 PolarHBondContact O-ND2 3.22Å
326	L	97.8	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.1	-48.4	178	-70.9	-176.8	0	0	0	112.2	L58 W82 I85 L322 Y323 H328 Q329 Y330 F482	L58-L326 HydrophobicContact CD2-CD2 4.46Å; W82-L326 HydrophobicContact CE3-CD1 4.28Å; W82-L326 HydrophobicContact CH2-CD1 4.12Å; W82-L326 HydrophobicContact CZ3-CD1 3.44Å; W82-L326 VanDerWaalsContact CZ3-CD1 3.44Å; I85-L326 HydrophobicContact CD1-CD1 4.42Å; I85-L326 HydrophobicContact CG2-CD1 3.89Å; I85-L326 HydrophobicContact CG2-CD2 4Å; I85-L326 HydrophobicContact CG2-CG 4.39Å; L322-L326 HydrophobicContact CD1-CD1 4.41Å; L322-L326 HydrophobicContact CD1-CG 4.37Å; L322-L326 HydrophobicContact CG-CD1 4.37Å; L322-L326 WeakPolarHBondContact O-CG 3.17Å; L322-L326 PolarHBondContact O-N 2.93Å; Y323-L326 PolarHBondContact O-N 2.63Å; L326-H328 VanDerWaalsContact C-N 3.3Å; L326-H328 PolarHBondContact O-N 3.34Å; L326-Q329 PolarHBondContact O-N 3.44Å; L326-Q329 VanDerWaalsContact O-N 3.12Å; L326-Y330 HydrophobicContact CB-CD2 4.45Å; L326-Y330 HydrophobicContact CD2-CD2 4.22Å; L326-Y330 HydrophobicContact CD2-CE2 3.84Å; L326-Y330 VanDerWaalsContact O-CD2 3.3Å; L326-Y330 WeakPolarHBondContact O-CD2 3.43Å; L326-Y330 PolarHBondContact O-N 3.1Å; L326-F482 HydrophobicContact CB-CE1 4.27Å; L326-F482 HydrophobicContact CB-CZ 4.07Å
327	T	98.5	Very high	97.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-41.6	179.5	54	0	0	0	0	110.8	Y323 A324 Q329 V331 Y354 V460 F482	Y323-T327 HydrophobicContact CD1-CG2 4.2Å; Y323-T327 HydrophobicContact CE1-CG2 3.85Å; Y323-T327 HydrophobicContact CE2-CG2 4.31Å; Y323-T327 WeakPolarHBondContact O-CG2 3.31Å; Y323-T327 PolarHBondContact O-N 3.29Å; Y323-T327 PolarHBondContact O-OG1 2.95Å; Y323-T327 VanDerWaalsContact O-OG1 3.07Å; A324-T327 PolarHBondContact O-OG1 2.86Å; T327-Q329 VanDerWaalsContact C-N 3.31Å; T327-Q329 PolarHBondContact O-N 2.86Å; T327-V331 WeakPolarHBondContact O-CB 3.38Å; T327-V331 VanDerWaalsContact O-CG2 3.28Å; T327-V331 WeakPolarHBondContact O-CG2 3.1Å; T327-V331 PolarHBondContact O-N 2.85Å; T327-Y354 WeakPolarHBondContact CB-OH 3.44Å; T327-Y354 WeakPolarHBondContact OG1-CE1 3.27Å; T327-Y354 PolarHBondContact OG1-OH 3.11Å; T327-V460 HydrophobicContact CG2-CB 4.23Å; T327-V460 WeakPolarHBondContact CG2-O 3.14Å; T327-F482 HydrophobicContact CG2-CD1 3.61Å; T327-F482 HydrophobicContact CG2-CD2 4.33Å; T327-F482 HydrophobicContact CG2-CE1 3.45Å; T327-F482 VanDerWaalsContact CG2-CE1 3.45Å; T327-F482 HydrophobicContact CG2-CE2 4.2Å; T327-F482 HydrophobicContact CG2-CG 4.07Å; T327-F482 HydrophobicContact CG2-CZ 3.77Å
328	H	98.5	Very high	97.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.3	-47.4	173	170.1	-96.1	0	0	0	111.5	A324 L326 F332 Y334 F340 Y354 N362	A324-H328 WeakPolarHBondContact O-CB 3.12Å; A324-H328 PolarHBondContact O-N 2.69Å; L326-H328 VanDerWaalsContact C-N 3.3Å; L326-H328 PolarHBondContact O-N 3.34Å; H328-F332 WeakPolarHBondContact O-CB 3.42Å; H328-F332 WeakPolarHBondContact O-CD2 3.37Å; H328-Y334 AromaticContact CE1-CD1 3.72Å; H328-Y334 AromaticContact CE1-CD2 3.67Å; H328-Y334 AromaticContact CE1-CG 3.34Å; H328-F340 AromaticContact CD2-CE1 3.94Å; H328-F340 AromaticContact CD2-CE2 3.92Å; H328-F340 AromaticContact CD2-CZ 3.89Å; H328-F340 AromaticContact NE2-CD1 3.81Å; H328-F340 AromaticContact NE2-CD2 3.48Å; H328-F340 WeakPolarHBondContact NE2-CD2 3.36Å; H328-F340 AromaticContact NE2-CE2 3.89Å; H328-F340 AromaticContact NE2-CG 3.47Å; H328-F340 WeakPolarHBondContact NE2-CG 3.49Å; H328-Y354 HydrophobicContact CB-CD1 4.09Å; H328-Y354 HydrophobicContact CB-CE1 4.12Å; H328-N362 PolarHBondContact ND1-ND2 3.29Å
329	Q	96.4	Very high	97.2	Very high	14 Å²	14	16.6 Å²	16.6	7%	0.065	11%	0.105	C	C	.	.	H	α-helix	trans	-69.6	-48.8	-176.2	-172.1	171.1	45.9	0	0	113.1	P56 A325 L326 T327 D333 Y334	P56-Q329 HydrophobicContact CG-CG 4.15Å; A325-Q329 WeakPolarHBondContact O-CB 3.45Å; A325-Q329 PolarHBondContact O-N 3.48Å; A325-Q329 VanDerWaalsContact O-N 3.09Å; L326-Q329 PolarHBondContact O-N 3.44Å; L326-Q329 VanDerWaalsContact O-N 3.12Å; T327-Q329 VanDerWaalsContact C-N 3.31Å; T327-Q329 PolarHBondContact O-N 2.86Å; Q329-D333 CarbonylContact O-C 3.49Å; Q329-D333 VanDerWaalsContact O-CA 3.3Å; Q329-D333 WeakPolarHBondContact O-CA 3.24Å; Q329-D333 PolarHBondContact O-N 3.43Å; Q329-D333 VanDerWaalsContact O-N 3.1Å; Q329-Y334 PolarHBondContact O-N 2.82Å
330	Y	95.6	Very high	97.2	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.047	11%	0.105	C	C	.	.	H	α-helix	trans	-87.7	-32.3	-168.1	-77	-75.5	0	0	0	114.2	P56 L58 R89 L326 P466 F483	P56-Y330 PolarHBondContact O-OH 3.41Å; L58-Y330 WeakPolarHBondContact CA-OH 3.23Å; L58-Y330 WeakPolarHBondContact CB-OH 3.35Å; L58-Y330 HydrophobicContact CD1-CD1 4.35Å; L58-Y330 HydrophobicContact CD1-CD2 4.43Å; L58-Y330 HydrophobicContact CD1-CE1 3.68Å; L58-Y330 HydrophobicContact CD1-CE2 3.78Å; L58-Y330 HydrophobicContact CD2-CE2 4.5Å; L58-Y330 HydrophobicContact CG-CE1 4.27Å; L58-Y330 HydrophobicContact CG-CE2 3.62Å; L58-Y330 VanDerWaalsContact CG-CZ 3.44Å; L58-Y330 VanDerWaalsContact CG-OH 3.23Å; L58-Y330 WeakPolarHBondContact CG-OH 3.31Å; L58-Y330 PolarHBondContact N-OH 3.47Å; R89-Y330 PolarHBondContact NH2-OH 3.29Å; L326-Y330 HydrophobicContact CB-CD2 4.45Å; L326-Y330 HydrophobicContact CD2-CD2 4.22Å; L326-Y330 HydrophobicContact CD2-CE2 3.84Å; L326-Y330 VanDerWaalsContact O-CD2 3.3Å; L326-Y330 WeakPolarHBondContact O-CD2 3.43Å; L326-Y330 PolarHBondContact O-N 3.1Å; Y330-P466 HydrophobicContact CD1-CB 4.45Å; Y330-F483 HydrophobicContact CG-CE2 4.36Å
331	V	97.2	Very high	97.2	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-74.8	-38.2	177.8	178.9	0	0	0	0	110.2	T327 V449 T451 V460 A463 R465 F482	T327-V331 WeakPolarHBondContact O-CB 3.38Å; T327-V331 VanDerWaalsContact O-CG2 3.28Å; T327-V331 WeakPolarHBondContact O-CG2 3.1Å; T327-V331 PolarHBondContact O-N 2.85Å; V331-V449 HydrophobicContact CG1-CB 4.34Å; V331-V449 HydrophobicContact CG1-CG2 4.1Å; V331-T451 HydrophobicContact CG1-CG2 3.84Å; V331-V460 HydrophobicContact CG1-CG1 4.41Å; V331-V460 HydrophobicContact CG2-CB 4.13Å; V331-V460 HydrophobicContact CG2-CG1 4.05Å; V331-V460 HydrophobicContact CG2-CG2 4.48Å; V331-A463 HydrophobicContact CG1-CB 3.91Å; V331-R465 WeakPolarHBondContact O-CB 3.27Å; V331-F482 HydrophobicContact CG2-CD2 3.98Å; V331-F482 HydrophobicContact CG2-CE2 4.02Å
332	F	97.4	Very high	97.1	Very high	1 Å²	1	16.6 Å²	16.6	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-98.1	-0.7	-175.7	-58.3	-84.7	0	0	0	114.1	H328 Y334 F340 Y354 Q392 Y394 T421 V449 T451	H328-F332 WeakPolarHBondContact O-CB 3.42Å; H328-F332 WeakPolarHBondContact O-CD2 3.37Å; F332-Y334 VanDerWaalsContact C-N 3.26Å; F332-Y334 PolarHBondContact O-N 3.04Å; F332-F340 HydrophobicContact CB-CE2 3.74Å; F332-F340 AromaticContact CD1-CE2 3.74Å; F332-F340 HydrophobicContact CD1-CE2 3.74Å; F332-F340 AromaticContact CD1-CZ 3.95Å; F332-F340 HydrophobicContact CD1-CZ 3.95Å; F332-F340 HydrophobicContact CD2-CE2 4.08Å; F332-F340 HydrophobicContact CD2-CZ 4.08Å; F332-F340 HydrophobicContact CE1-CE2 4.38Å; F332-F340 HydrophobicContact CE1-CZ 4.12Å; F332-F340 HydrophobicContact CE2-CZ 4.25Å; F332-F340 AromaticContact CG-CE2 3.56Å; F332-F340 HydrophobicContact CG-CE2 3.56Å; F332-F340 AromaticContact CG-CZ 3.92Å; F332-F340 HydrophobicContact CG-CZ 3.92Å; F332-F340 HydrophobicContact CZ-CZ 4.27Å; F332-Y354 AromaticContact CE2-CD1 4Å; F332-Y354 HydrophobicContact CE2-CD1 4Å; F332-Y354 HydrophobicContact CE2-CE1 4.04Å; F332-Q392 HydrophobicContact CB-CG 4.21Å; F332-Q392 WeakPolarHBondContact O-CG 3.46Å; F332-Y394 AromaticContact CE1-CD1 3.91Å; F332-Y394 HydrophobicContact CE1-CD1 3.91Å; F332-Y394 AromaticContact CE1-CD2 3.66Å; F332-Y394 HydrophobicContact CE1-CD2 3.66Å; F332-Y394 HydrophobicContact CE1-CE1 4.13Å; F332-Y394 AromaticContact CE1-CE2 3.85Å; F332-Y394 HydrophobicContact CE1-CE2 3.85Å; F332-Y394 AromaticContact CE1-CG 3.67Å; F332-Y394 HydrophobicContact CE1-CG 3.67Å; F332-Y394 HydrophobicContact CE2-CE1 4.45Å; F332-Y394 AromaticContact CZ-CD1 3.74Å; F332-Y394 HydrophobicContact CZ-CD1 3.74Å; F332-Y394 HydrophobicContact CZ-CD2 4Å; F332-Y394 AromaticContact CZ-CE1 3.54Å; F332-Y394 HydrophobicContact CZ-CE1 3.54Å; F332-Y394 AromaticContact CZ-CE2 3.78Å; F332-Y394 HydrophobicContact CZ-CE2 3.78Å; F332-Y394 AromaticContact CZ-CG 3.96Å; F332-Y394 HydrophobicContact CZ-CG 3.96Å; F332-Y394 AromaticContact CZ-CZ 3.54Å; F332-T421 PolarHBondContact O-OG1 3.49Å; F332-T421 VanDerWaalsContact O-OG1 3.06Å; F332-V449 HydrophobicContact CD1-CG2 4.23Å; F332-V449 HydrophobicContact CE1-CG2 4.16Å; F332-T451 HydrophobicContact CZ-CG2 4.4Å
333	D	94.3	Very high	97	Very high	80 Å²	80	17.7 Å²	17.7	43%	0.428	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	44.7	-176.6	-164.4	42.2	0	0	0	112	Q329 H335	Q329-D333 CarbonylContact O-C 3.49Å; Q329-D333 VanDerWaalsContact O-CA 3.3Å; Q329-D333 WeakPolarHBondContact O-CA 3.24Å; Q329-D333 PolarHBondContact O-N 3.43Å; Q329-D333 VanDerWaalsContact O-N 3.1Å; D333-H335 PolarHBondContact O-CE1 2.68Å; D333-H335 PolarHBondContact O-N 2.97Å; D333-H335 PolarHBondContact O-ND1 3.09Å; D333-H335 IonicContact OD1-CE1 3.64Å; D333-H335 PolarHBondContact OD1-CE1 2.9Å; D333-H335 VanDerWaalsContact OD1-CE1 3.29Å; D333-H335 IonicContact OD2-CE1 2.79Å
334	Y	96.1	Very high	96.5	Very high	1 Å²	1	19 Å²	19	0%	0.004	12%	0.122	C	C	.	.			trans	-71.4	131.4	-176.7	165.6	-93.5	0	0	0	111.3	H328 Q329 F332 D338 N362 A364	H328-Y334 AromaticContact CE1-CD1 3.72Å; H328-Y334 AromaticContact CE1-CD2 3.67Å; H328-Y334 AromaticContact CE1-CG 3.34Å; Q329-Y334 PolarHBondContact O-N 2.82Å; F332-Y334 VanDerWaalsContact C-N 3.26Å; F332-Y334 PolarHBondContact O-N 3.04Å; Y334-D338 HydrophobicContact CD2-CB 3.8Å; Y334-D338 HydrophobicContact CE2-CB 3.71Å; Y334-N362 HydrophobicContact CD1-CB 4.12Å; Y334-N362 HydrophobicContact CE1-CB 3.87Å; Y334-A364 HydrophobicContact CD2-CB 4.16Å; Y334-A364 HydrophobicContact CE1-CB 4.18Å; Y334-A364 HydrophobicContact CE2-CB 3.34Å; Y334-A364 WeakPolarHBondContact OH-CA 3.45Å; Y334-A364 WeakPolarHBondContact OH-CB 3.28Å
335	H	94.4	Very high	96	Very high	56 Å²	56	20.1 Å²	20.1	26%	0.259	13%	0.128	S	C	.	.			trans	-118.4	148	175	-68.9	79.6	0	0	0	112.1	D333 G337 D338	D333-H335 PolarHBondContact O-CE1 2.68Å; D333-H335 PolarHBondContact O-N 2.97Å; D333-H335 PolarHBondContact O-ND1 3.09Å; D333-H335 IonicContact OD1-CE1 3.64Å; D333-H335 PolarHBondContact OD1-CE1 2.9Å; D333-H335 VanDerWaalsContact OD1-CE1 3.29Å; D333-H335 IonicContact OD2-CE1 2.79Å; H335-G337 PolarHBondContact O-N 3.1Å; H335-D338 PolarHBondContact N-OD2 3.2Å; H335-D338 VanDerWaalsContact O-CB 3.27Å; H335-D338 WeakPolarHBondContact O-CB 3.26Å; H335-D338 VanDerWaalsContact O-CG 3.3Å; H335-D338 PolarHBondContact O-N 2.98Å
336	P	93.4	Very high	95.7	Very high	95 Å²	95	20 Å²	20	62%	0.617	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	125.8	175	-27.7	35.6	0	0	0	112.4
337	G	93.1	Very high	95.1	Very high	54 Å²	54	20.4 Å²	20.4	56%	0.557	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.1	-14.4	-176.5	0	0	0	0	0	114.4	H335	H335-G337 PolarHBondContact O-N 3.1Å
338	D	98.1	Very high	94.4	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.043	15%	0.146	C	C	.	.			trans	-66.1	149.9	174.7	-70.9	-11	0	0	0	112.2	Y334 H335 N391 Q392 K420	Y334-D338 HydrophobicContact CD2-CB 3.8Å; Y334-D338 HydrophobicContact CE2-CB 3.71Å; H335-D338 PolarHBondContact N-OD2 3.2Å; H335-D338 VanDerWaalsContact O-CB 3.27Å; H335-D338 WeakPolarHBondContact O-CB 3.26Å; H335-D338 VanDerWaalsContact O-CG 3.3Å; H335-D338 PolarHBondContact O-N 2.98Å; D338-N391 VanDerWaalsContact CA-OD1 3.25Å; D338-N391 WeakPolarHBondContact CA-OD1 3.34Å; D338-N391 HydrophobicContact CB-CB 3.98Å; D338-Q392 PolarHBondContact OD2-NE2 3.12Å; D338-K420 IonicContact OD1-NZ 3.4Å; D338-K420 PolarHBondContact OD1-NZ 3.13Å; D338-K420 IonicContact OD2-NZ 2.92Å
339	V	98.8	Very high	94.2	Very high	22 Å²	22	24.8 Å²	24.8	13%	0.133	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	110.7	170.7	-178.9	0	0	0	0	109.2	T365 V367 I390 N391 Q392	V339-T365 HydrophobicContact CG1-CG2 4.37Å; V339-T365 HydrophobicContact CG2-CG2 4.28Å; V339-V367 HydrophobicContact CG1-CG2 3.71Å; V339-I390 HydrophobicContact CG1-CG1 4.18Å; V339-N391 PolarHBondContact N-OD1 3.09Å; V339-N391 PolarHBondContact O-N 3.28Å; V339-Q392 PolarHBondContact O-N 2.65Å
340	F	98.8	Very high	94.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.9	-179	-168.1	-100.6	0	0	0	111	H328 F332 C342 Y354 P359 T365 T366 V367 Q392 Y394	H328-F340 AromaticContact CD2-CE1 3.94Å; H328-F340 AromaticContact CD2-CE2 3.92Å; H328-F340 AromaticContact CD2-CZ 3.89Å; H328-F340 AromaticContact NE2-CD1 3.81Å; H328-F340 AromaticContact NE2-CD2 3.48Å; H328-F340 WeakPolarHBondContact NE2-CD2 3.36Å; H328-F340 AromaticContact NE2-CE2 3.89Å; H328-F340 AromaticContact NE2-CG 3.47Å; H328-F340 WeakPolarHBondContact NE2-CG 3.49Å; F332-F340 HydrophobicContact CB-CE2 3.74Å; F332-F340 AromaticContact CD1-CE2 3.74Å; F332-F340 HydrophobicContact CD1-CE2 3.74Å; F332-F340 AromaticContact CD1-CZ 3.95Å; F332-F340 HydrophobicContact CD1-CZ 3.95Å; F332-F340 HydrophobicContact CD2-CE2 4.08Å; F332-F340 HydrophobicContact CD2-CZ 4.08Å; F332-F340 HydrophobicContact CE1-CE2 4.38Å; F332-F340 HydrophobicContact CE1-CZ 4.12Å; F332-F340 HydrophobicContact CE2-CZ 4.25Å; F332-F340 AromaticContact CG-CE2 3.56Å; F332-F340 HydrophobicContact CG-CE2 3.56Å; F332-F340 AromaticContact CG-CZ 3.92Å; F332-F340 HydrophobicContact CG-CZ 3.92Å; F332-F340 HydrophobicContact CZ-CZ 4.27Å; F340-C342 HydrophobicContact CD1-CB 4.14Å; F340-C342 HydrophobicContact CE1-CB 3.64Å; F340-Y354 WeakPolarHBondContact CD1-O 3.35Å; F340-Y354 WeakPolarHBondContact CE1-O 3.26Å; F340-P359 HydrophobicContact CD1-CG 3.95Å; F340-P359 HydrophobicContact CE1-CG 4.39Å; F340-T365 PolarHBondContact N-O 3.38Å; F340-T366 WeakPolarHBondContact O-CA 3.48Å; F340-V367 PolarHBondContact O-N 3.26Å; F340-Q392 HydrophobicContact CD2-CB 3.53Å; F340-Q392 HydrophobicContact CD2-CG 4.15Å; F340-Q392 HydrophobicContact CE2-CB 3.66Å; F340-Q392 HydrophobicContact CE2-CG 4.33Å; F340-Y394 HydrophobicContact CE1-CD1 4.5Å; F340-Y394 HydrophobicContact CZ-CD1 4.18Å
341	G	98.3	Very high	94.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	75	-176.3	0	0	0	0	0	113.2	Q392 Y394	G341-Q392 WeakPolarHBondContact CA-O 3.19Å; G341-Q392 PolarHBondContact N-O 2.92Å; G341-Y394 PolarHBondContact O-N 3.09Å
342	C	97.9	Very high	94.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116	167.3	-177.5	0	0	0	0	110.3	F340 A344 V355 Y394	F340-C342 HydrophobicContact CD1-CB 4.14Å; F340-C342 HydrophobicContact CE1-CB 3.64Å; C342-A344 VanDerWaalsContact C-N 3.27Å; C342-A344 PolarHBondContact O-N 3.41Å; C342-V355 HydrophobicContact CB-CG2 3.79Å; C342-Y394 WeakPolarHBondContact CA-O 3.47Å; C342-Y394 HydrophobicContact CB-CD1 4.05Å; C342-Y394 VanDerWaalsContact SG-CD1 3.54Å
343	V	95.1	Very high	94.4	Very high	23 Å²	23	24.2 Å²	24.2	14%	0.139	15%	0.148	C	C	.	.			trans	-92	17.3	-176.2	-60.5	0	0	0	0	113.1	F369 Y381 F393 Y394	V343-F369 HydrophobicContact CB-CB 4.23Å; V343-F369 HydrophobicContact CB-CD1 4.28Å; V343-F369 HydrophobicContact CB-CG 4.36Å; V343-F369 HydrophobicContact CG1-CB 4.03Å; V343-F369 HydrophobicContact CG1-CD1 4.4Å; V343-F369 HydrophobicContact CG1-CG 4.09Å; V343-Y381 HydrophobicContact CB-CE1 4.14Å; V343-Y381 HydrophobicContact CG1-CD1 4.4Å; V343-Y381 HydrophobicContact CG1-CE1 4.01Å; V343-Y381 HydrophobicContact CG2-CE1 4.21Å; V343-Y381 HydrophobicContact CG2-CE2 4.41Å; V343-F393 HydrophobicContact CG1-CE2 3.87Å; V343-F393 HydrophobicContact CG1-CZ 4.18Å; V343-F393 HydrophobicContact CG2-CZ 4.02Å; V343-Y394 PolarHBondContact N-O 3.38Å
344	A	88.4	Confident	94.6	Very high	26 Å²	26	20.4 Å²	20.4	22%	0.215	13%	0.127	C	C	.	.			trans	-79.4	152.5	177.7	0	0	0	0	0	111.8	C342 T350	C342-A344 VanDerWaalsContact C-N 3.27Å; C342-A344 PolarHBondContact O-N 3.41Å; A344-T350 HydrophobicContact CB-CG2 3.53Å
345	D	88.5	Confident	94.7	Very high	25 Å²	25	20.4 Å²	20.4	13%	0.134	13%	0.127	C	C	.	.			trans	-80.3	142.5	174.7	-173.8	-72.7	0	0	0	111.2	F205 G347 W348	F205-D345 HydrophobicContact CD2-CB 4.3Å; F205-D345 WeakPolarHBondContact CD2-OD1 3.5Å; F205-D345 HydrophobicContact CE2-CB 4.1Å; F205-D345 WeakPolarHBondContact CE2-OD2 3.26Å; D345-G347 PolarHBondContact O-N 2.85Å; D345-G347 WeakPolarHBondContact OD1-CA 3.27Å; D345-G347 PolarHBondContact OD1-N 3.09Å; D345-W348 PolarHBondContact O-N 3.1Å; D345-W348 VanDerWaalsContact O-N 3.15Å
346	I	91.9	Very high	94.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.7	-179.7	58	167.9	0	0	0	114.1	V183 A187 V203 W348 H352 V355 V356	V183-I346 HydrophobicContact CB-CG1 4.29Å; V183-I346 HydrophobicContact CB-CG2 4.33Å; V183-I346 HydrophobicContact CG2-CG2 3.75Å; A187-I346 HydrophobicContact CB-CD1 3.41Å; A187-I346 VanDerWaalsContact CB-CD1 3.41Å; V203-I346 HydrophobicContact CG1-CG1 4.34Å; I346-W348 PolarHBondContact O-N 2.76Å; I346-H352 PolarHBondContact O-CE1 3.42Å; I346-H352 PolarHBondContact O-ND1 2.77Å; I346-V355 HydrophobicContact CG2-CB 4.4Å; I346-V355 HydrophobicContact CG2-CG1 4.16Å; I346-V356 HydrophobicContact CG2-CG2 4.2Å
347	G	86.1	Confident	95.2	Very high	9 Å²	9	13.2 Å²	13.2	9%	0.093	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-3.1	170.4	0	0	0	0	0	114.4	D345	D345-G347 PolarHBondContact O-N 2.85Å; D345-G347 WeakPolarHBondContact OD1-CA 3.27Å; D345-G347 PolarHBondContact OD1-N 3.09Å
348	W	84.3	Confident	95.4	Very high	82 Å²	82	10.7 Å²	10.7	31%	0.311	6%	0.059	S	C	.	.	S	Bend	trans	-117.4	162.2	174.7	-57.6	85.8	0	0	0	111.1	F205 D345 I346 T350 G351 H352 S650	F205-W348 AromaticContact CD2-NE1 3.82Å; D345-W348 PolarHBondContact O-N 3.1Å; D345-W348 VanDerWaalsContact O-N 3.15Å; I346-W348 PolarHBondContact O-N 2.76Å; W348-T350 PolarHBondContact O-N 2.94Å; W348-G351 PolarHBondContact O-N 2.91Å; W348-G351 VanDerWaalsContact O-N 3.09Å; W348-H352 PolarHBondContact O-N 2.84Å; W348-H352 PolarHBondContact O-ND1 2.85Å; W348-S650 WeakPolarHBondContact CZ2-OG 3.41Å
349	V	94.2	Very high	95.5	Very high	10 Å²	10	10.3 Å²	10.3	6%	0.061	6%	0.057	C	C	.	.	H	α-helix	trans	-61.4	-34.2	-179.7	69.4	0	0	0	0	111.6	L301 G351 H352 S353 W453 T455	L301-V349 HydrophobicContact CD2-CB 3.73Å; L301-V349 HydrophobicContact CD2-CG2 4.42Å; V349-G351 VanDerWaalsContact C-N 3.29Å; V349-G351 PolarHBondContact O-N 2.79Å; V349-H352 WeakPolarHBondContact O-CB 3.48Å; V349-H352 PolarHBondContact O-N 2.68Å; V349-S353 PolarHBondContact O-N 3.17Å; V349-S353 PolarHBondContact O-OG 2.98Å; V349-W453 HydrophobicContact CB-CH2 4.31Å; V349-W453 HydrophobicContact CB-CZ3 4.3Å; V349-W453 HydrophobicContact CG1-CE3 4.45Å; V349-W453 HydrophobicContact CG1-CH2 3.72Å; V349-W453 HydrophobicContact CG1-CZ2 4.34Å; V349-W453 HydrophobicContact CG1-CZ3 3.8Å; V349-W453 HydrophobicContact CG2-CH2 4.04Å; V349-W453 HydrophobicContact CG2-CZ3 3.67Å; V349-T455 HydrophobicContact CB-CG2 4.34Å
350	T	95.8	Very high	95.5	Very high	17 Å²	17	9.2 Å²	9.2	10%	0.104	5%	0.051	C	C	.	.	H	α-helix	trans	-56.3	-43	174.8	-49.8	0	0	0	0	112	A344 W348 Y354 V355 Y394 V425 W453	A344-T350 HydrophobicContact CB-CG2 3.53Å; W348-T350 PolarHBondContact O-N 2.94Å; T350-Y354 HydrophobicContact CG2-CD2 4.38Å; T350-Y354 WeakPolarHBondContact O-CA 3.3Å; T350-Y354 WeakPolarHBondContact O-CB 3.3Å; T350-Y354 PolarHBondContact O-N 2.86Å; T350-V355 PolarHBondContact O-N 3.09Å; T350-Y394 HydrophobicContact CG2-CD1 4.35Å; T350-Y394 HydrophobicContact CG2-CE1 3.78Å; T350-V425 HydrophobicContact CG2-CG1 4.02Å; T350-V425 HydrophobicContact CG2-CG2 4.46Å; T350-W453 HydrophobicContact CG2-CZ2 4.23Å
351	G	96.8	Very high	95.5	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-70.2	-34.9	176.2	0	0	0	0	0	112.9	W348 V349 V355 V356	W348-G351 PolarHBondContact O-N 2.91Å; W348-G351 VanDerWaalsContact O-N 3.09Å; V349-G351 VanDerWaalsContact C-N 3.29Å; V349-G351 PolarHBondContact O-N 2.79Å; G351-V355 WeakPolarHBondContact O-CA 3.42Å; G351-V355 VanDerWaalsContact O-CB 3.23Å; G351-V355 WeakPolarHBondContact O-CB 3.37Å; G351-V355 PolarHBondContact O-N 3.46Å; G351-V355 VanDerWaalsContact O-N 3.09Å; G351-V356 PolarHBondContact O-N 2.81Å
352	H	98.6	Very high	95.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-62.3	-55.6	173.1	-70.2	59.3	0	0	0	111.4	M191 H201 F299 Y320 I346 W348 V349 Y357	M191-H352 HydrophobicContact CE-CB 4.5Å; H201-H352 AromaticContact CE1-CD2 3.77Å; H201-H352 AromaticContact CE1-NE2 3.63Å; F299-H352 AromaticContact CD2-CD2 3.66Å; F299-H352 AromaticContact CD2-NE2 3.91Å; F299-H352 AromaticContact CE2-CD2 3.65Å; Y320-H352 VanDerWaalsContact OH-CB 3.3Å; Y320-H352 WeakPolarHBondContact OH-CB 3.25Å; I346-H352 PolarHBondContact O-CE1 3.42Å; I346-H352 PolarHBondContact O-ND1 2.77Å; W348-H352 PolarHBondContact O-N 2.84Å; W348-H352 PolarHBondContact O-ND1 2.85Å; V349-H352 WeakPolarHBondContact O-CB 3.48Å; V349-H352 PolarHBondContact O-N 2.68Å; H352-Y357 HydrophobicContact CB-CD2 4.34Å; H352-Y357 WeakPolarHBondContact O-CD2 3.47Å; H352-Y357 PolarHBondContact O-N 3.25Å
353	S	98.8	Very high	95.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-75.7	-38.6	-172	-49.5	0	0	0	0	112.6	Y320 V349 G358 P359 G458	Y320-S353 PolarHBondContact OH-N 3.27Å; Y320-S353 PolarHBondContact OH-OG 3.02Å; V349-S353 PolarHBondContact O-N 3.17Å; V349-S353 PolarHBondContact O-OG 2.98Å; S353-G358 VanDerWaalsContact O-CA 3.31Å; S353-G358 WeakPolarHBondContact O-CA 3.47Å; S353-G358 PolarHBondContact O-N 2.75Å; S353-P359 WeakPolarHBondContact O-CD 3.38Å; S353-G458 PolarHBondContact OG-O 2.66Å
354	Y	98.7	Very high	95.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-121.5	-5.8	-167.1	-56.3	-62.1	0	0	0	115.3	T327 H328 F332 F340 T350 P359 Y394 W453 G459 V460	T327-Y354 WeakPolarHBondContact CB-OH 3.44Å; T327-Y354 WeakPolarHBondContact OG1-CE1 3.27Å; T327-Y354 PolarHBondContact OG1-OH 3.11Å; H328-Y354 HydrophobicContact CB-CD1 4.09Å; H328-Y354 HydrophobicContact CB-CE1 4.12Å; F332-Y354 AromaticContact CE2-CD1 4Å; F332-Y354 HydrophobicContact CE2-CD1 4Å; F332-Y354 HydrophobicContact CE2-CE1 4.04Å; F340-Y354 WeakPolarHBondContact CD1-O 3.35Å; F340-Y354 WeakPolarHBondContact CE1-O 3.26Å; T350-Y354 HydrophobicContact CG2-CD2 4.38Å; T350-Y354 WeakPolarHBondContact O-CA 3.3Å; T350-Y354 WeakPolarHBondContact O-CB 3.3Å; T350-Y354 PolarHBondContact O-N 2.86Å; Y354-P359 WeakPolarHBondContact O-CG 3.23Å; Y354-Y394 AromaticContact CD2-CE1 3.68Å; Y354-Y394 HydrophobicContact CD2-CE1 3.68Å; Y354-Y394 HydrophobicContact CE2-CE1 4.46Å; Y354-Y394 HydrophobicContact CG-CD1 4.48Å; Y354-Y394 AromaticContact CG-CE1 3.89Å; Y354-Y394 HydrophobicContact CG-CE1 3.89Å; Y354-W453 AromaticContact CD2-CH2 3.64Å; Y354-W453 HydrophobicContact CD2-CH2 3.64Å; Y354-W453 AromaticContact CD2-CZ2 3.52Å; Y354-W453 HydrophobicContact CD2-CZ2 3.52Å; Y354-W453 HydrophobicContact CE2-CD2 4.31Å; Y354-W453 AromaticContact CE2-CE2 3.72Å; Y354-W453 HydrophobicContact CE2-CE3 4.38Å; Y354-W453 AromaticContact CE2-CH2 3.31Å; Y354-W453 HydrophobicContact CE2-CH2 3.31Å; Y354-W453 AromaticContact CE2-CZ2 3.24Å; Y354-W453 HydrophobicContact CE2-CZ2 3.24Å; Y354-W453 AromaticContact CE2-CZ3 3.9Å; Y354-W453 HydrophobicContact CE2-CZ3 3.9Å; Y354-G459 WeakPolarHBondContact OH-CA 3.39Å; Y354-V460 HydrophobicContact CE2-CG2 4.02Å; Y354-V460 VanDerWaalsContact OH-CG2 3.29Å; Y354-V460 WeakPolarHBondContact OH-CG2 3.46Å; Y354-V460 PolarHBondContact OH-N 2.95Å
355	V	98.6	Very high	96.1	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-96.1	-39	162.3	177.1	0	0	0	0	110.1	V183 C342 I346 T350 G351 T366 L368	V183-V355 HydrophobicContact CG2-CG1 4.37Å; C342-V355 HydrophobicContact CB-CG2 3.79Å; I346-V355 HydrophobicContact CG2-CB 4.4Å; I346-V355 HydrophobicContact CG2-CG1 4.16Å; T350-V355 PolarHBondContact O-N 3.09Å; G351-V355 WeakPolarHBondContact O-CA 3.42Å; G351-V355 VanDerWaalsContact O-CB 3.23Å; G351-V355 WeakPolarHBondContact O-CB 3.37Å; G351-V355 PolarHBondContact O-N 3.46Å; G351-V355 VanDerWaalsContact O-N 3.09Å; V355-T366 WeakPolarHBondContact O-CB 3.47Å; V355-T366 VanDerWaalsContact O-CG2 3.27Å; V355-T366 WeakPolarHBondContact O-CG2 3.39Å; V355-T366 PolarHBondContact O-OG1 3.15Å; V355-L368 HydrophobicContact CG1-CD2 3.28Å
356	V	98.9	Very high	96.6	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.006	5%	0.045	C	C	.	.	I	π-helix	trans	-106.9	-76.7	-172.4	-176.4	0	0	0	0	113.1	V188 M191 L192 I346 G351 L360	V188-V356 HydrophobicContact CG1-CG1 4.12Å; V188-V356 HydrophobicContact CG1-CG2 4.36Å; V188-V356 HydrophobicContact CG2-CG2 3.97Å; M191-V356 HydrophobicContact CE-CB 4.27Å; M191-V356 HydrophobicContact CE-CG1 4.31Å; M191-V356 HydrophobicContact CE-CG2 4.11Å; M191-V356 HydrophobicContact SD-CG2 3.97Å; L192-V356 HydrophobicContact CD2-CG1 4.48Å; I346-V356 HydrophobicContact CG2-CG2 4.2Å; G351-V356 PolarHBondContact O-N 2.81Å; V356-L360 HydrophobicContact CG1-CD1 4.05Å; V356-L360 WeakPolarHBondContact O-CB 3.42Å; V356-L360 WeakPolarHBondContact O-CG 3.35Å; V356-L360 PolarHBondContact O-N 3.27Å; V356-L360 VanDerWaalsContact O-N 3.12Å
357	Y	98.9	Very high	96.9	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-71.3	-50.3	-159.7	-71.8	-64.7	0	0	0	114.4	V119 M191 L192 H201 L298 F299 Y320 L321 H352 C361	V119-Y357 HydrophobicContact CG1-CD1 3.66Å; V119-Y357 HydrophobicContact CG1-CE1 3.44Å; V119-Y357 VanDerWaalsContact CG1-CE1 3.44Å; M191-Y357 HydrophobicContact CE-CE2 3.86Å; L192-Y357 HydrophobicContact CD2-CE1 4.14Å; H201-Y357 AromaticContact NE2-CZ 3.85Å; H201-Y357 PolarHBondContact NE2-OH 2.94Å; L298-Y357 HydrophobicContact CD2-CE1 4.34Å; L298-Y357 HydrophobicContact CD2-CE2 4.43Å; F299-Y357 HydrophobicContact CD1-CE2 4.4Å; Y320-Y357 AromaticContact CE1-CD2 3.53Å; Y320-Y357 HydrophobicContact CE1-CD2 3.53Å; Y320-Y357 HydrophobicContact CE1-CE2 4.16Å; Y320-Y357 AromaticContact CE1-CG 3.91Å; Y320-Y357 HydrophobicContact CE1-CG 3.91Å; L321-Y357 HydrophobicContact CD1-CD1 4.33Å; H352-Y357 HydrophobicContact CB-CD2 4.34Å; H352-Y357 WeakPolarHBondContact O-CD2 3.47Å; H352-Y357 PolarHBondContact O-N 3.25Å; Y357-C361 WeakPolarHBondContact O-CB 3.37Å; Y357-C361 PolarHBondContact O-N 3.14Å
358	G	98.8	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-61.5	-52.3	-179.1	0	0	0	0	0	113.3	S353 N362	S353-G358 VanDerWaalsContact O-CA 3.31Å; S353-G358 WeakPolarHBondContact O-CA 3.47Å; S353-G358 PolarHBondContact O-N 2.75Å; G358-N362 PolarHBondContact O-N 2.91Å; G358-N362 PolarHBondContact O-ND2 2.88Å
359	P	98.7	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-62	-47.6	177.3	-21.1	29.1	0	0	0	113.3	F340 S353 Y354 C361 N362 G363 A364	F340-P359 HydrophobicContact CD1-CG 3.95Å; F340-P359 HydrophobicContact CE1-CG 4.39Å; S353-P359 WeakPolarHBondContact O-CD 3.38Å; Y354-P359 WeakPolarHBondContact O-CG 3.23Å; P359-C361 PolarHBondContact O-N 2.76Å; P359-N362 CarbonylContact O-C 3.36Å; P359-N362 PolarHBondContact O-N 2.98Å; P359-N362 VanDerWaalsContact O-N 3.15Å; P359-G363 PolarHBondContact O-N 3.07Å; P359-G363 VanDerWaalsContact O-N 3.11Å; P359-A364 HydrophobicContact CB-CB 3.89Å; P359-A364 VanDerWaalsContact O-CB 3.26Å; P359-A364 WeakPolarHBondContact O-CB 3.16Å; P359-A364 PolarHBondContact O-N 3.09Å
360	L	98.8	Very high	98.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-69	-34.8	-177.8	-65.4	178.1	0	0	0	112.1	C123 H127 A136 L137 Y152 L155 V188 L192 V356 N362 G363 T366	C123-L360 HydrophobicContact CB-CB 3.9Å; H127-L360 PolarHBondContact CD2-O 3.4Å; H127-L360 PolarHBondContact NE2-O 3.06Å; A136-L360 HydrophobicContact CB-CD2 4.12Å; L137-L360 HydrophobicContact CD2-CD2 4.15Å; Y152-L360 HydrophobicContact CE1-CD2 4.14Å; L155-L360 HydrophobicContact CD2-CD1 4.26Å; L155-L360 HydrophobicContact CD2-CD2 4.4Å; V188-L360 HydrophobicContact CG1-CD1 4.05Å; L192-L360 HydrophobicContact CD1-CD1 3.9Å; V356-L360 HydrophobicContact CG1-CD1 4.05Å; V356-L360 WeakPolarHBondContact O-CB 3.42Å; V356-L360 WeakPolarHBondContact O-CG 3.35Å; V356-L360 PolarHBondContact O-N 3.27Å; V356-L360 VanDerWaalsContact O-N 3.12Å; L360-N362 VanDerWaalsContact C-N 3.25Å; L360-N362 PolarHBondContact O-N 3.32Å; L360-G363 PolarHBondContact O-N 3.21Å; L360-G363 VanDerWaalsContact O-N 3.12Å; L360-T366 HydrophobicContact CD2-CG2 4.2Å
361	C	98.6	Very high	98.1	Very high	16 Å²	16	4.2 Å²	4.2	11%	0.108	2%	0.024	C	C	.	.	H	α-helix	trans	-61.2	-37.7	172.3	-172.3	0	0	0	0	111.6	H127 L321 A325 Y357 P359 G363	H127-C361 PolarHBondContact CE1-O 2.93Å; H127-C361 PolarHBondContact NE2-O 2.84Å; L321-C361 HydrophobicContact CD1-CB 3.83Å; L321-C361 HydrophobicContact CG-CB 4.44Å; A325-C361 HydrophobicContact CB-CB 3.96Å; Y357-C361 WeakPolarHBondContact O-CB 3.37Å; Y357-C361 PolarHBondContact O-N 3.14Å; P359-C361 PolarHBondContact O-N 2.76Å; C361-G363 VanDerWaalsContact C-N 3.29Å; C361-G363 PolarHBondContact O-N 2.67Å
362	N	98.3	Very high	97.8	Very high	28 Å²	28	5.7 Å²	5.7	15%	0.15	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-0.8	176.5	-72.4	-53.3	0	0	0	114.5	A325 H328 Y334 G358 P359 L360 A364	A325-N362 PolarHBondContact O-ND2 3.22Å; H328-N362 PolarHBondContact ND1-ND2 3.29Å; Y334-N362 HydrophobicContact CD1-CB 4.12Å; Y334-N362 HydrophobicContact CE1-CB 3.87Å; G358-N362 PolarHBondContact O-N 2.91Å; G358-N362 PolarHBondContact O-ND2 2.88Å; P359-N362 CarbonylContact O-C 3.36Å; P359-N362 PolarHBondContact O-N 2.98Å; P359-N362 VanDerWaalsContact O-N 3.15Å; L360-N362 VanDerWaalsContact C-N 3.25Å; L360-N362 PolarHBondContact O-N 3.32Å; N362-A364 VanDerWaalsContact C-N 3.34Å
363	G	97.9	Very high	97.4	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.01	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	25.5	179.6	0	0	0	0	0	113.9	H127 R134 Y152 P359 L360 C361	H127-G363 WeakPolarHBondContact CE1-CA 3.39Å; H127-G363 PolarHBondContact CE1-N 3.29Å; H127-G363 VanDerWaalsContact CE1-N 3.34Å; H127-G363 WeakPolarHBondContact NE2-CA 3.36Å; H127-G363 PolarHBondContact NE2-N 3.17Å; R134-G363 PolarHBondContact NH1-O 3.32Å; Y152-G363 WeakPolarHBondContact OH-CA 3.44Å; P359-G363 PolarHBondContact O-N 3.07Å; P359-G363 VanDerWaalsContact O-N 3.11Å; L360-G363 PolarHBondContact O-N 3.21Å; L360-G363 VanDerWaalsContact O-N 3.12Å; C361-G363 VanDerWaalsContact C-N 3.29Å; C361-G363 PolarHBondContact O-N 2.67Å
364	A	98.3	Very high	97	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.051	C	C	.	.			trans	-76.9	161.6	-179	0	0	0	0	0	113.8	Y152 Y334 P359 N362	Y152-A364 PolarHBondContact OH-N 3.32Å; Y152-A364 PolarHBondContact OH-O 3.28Å; Y334-A364 HydrophobicContact CD2-CB 4.16Å; Y334-A364 HydrophobicContact CE1-CB 4.18Å; Y334-A364 HydrophobicContact CE2-CB 3.34Å; Y334-A364 WeakPolarHBondContact OH-CA 3.45Å; Y334-A364 WeakPolarHBondContact OH-CB 3.28Å; P359-A364 HydrophobicContact CB-CB 3.89Å; P359-A364 VanDerWaalsContact O-CB 3.26Å; P359-A364 WeakPolarHBondContact O-CB 3.16Å; P359-A364 PolarHBondContact O-N 3.09Å; N362-A364 VanDerWaalsContact C-N 3.34Å
365	T	98.8	Very high	96.8	Very high	17 Å²	17	12.2 Å²	12.2	10%	0.104	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.7	160.3	-54.3	0	0	0	0	107.3	V135 A136 V138 V339 F340	V135-T365 HydrophobicContact CB-CG2 4.24Å; V135-T365 HydrophobicContact CG1-CG2 3.9Å; V135-T365 PolarHBondContact O-OG1 2.87Å; V135-T365 VanDerWaalsContact O-OG1 3.08Å; A136-T365 WeakPolarHBondContact O-CA 3.4Å; V138-T365 HydrophobicContact CG2-CG2 3.64Å; V339-T365 HydrophobicContact CG1-CG2 4.37Å; V339-T365 HydrophobicContact CG2-CG2 4.28Å; F340-T365 PolarHBondContact N-O 3.38Å
366	T	98.5	Very high	96.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.5	179.3	-176.1	0	0	0	0	111.1	A136 L137 V138 F340 V355 L360	A136-T366 WeakPolarHBondContact O-CG2 3.21Å; A136-T366 PolarHBondContact O-N 3.48Å; L137-T366 WeakPolarHBondContact CA-O 3.12Å; L137-T366 HydrophobicContact CD2-CG2 3.4Å; V138-T366 PolarHBondContact N-O 2.97Å; F340-T366 WeakPolarHBondContact O-CA 3.48Å; V355-T366 WeakPolarHBondContact O-CB 3.47Å; V355-T366 VanDerWaalsContact O-CG2 3.27Å; V355-T366 WeakPolarHBondContact O-CG2 3.39Å; V355-T366 PolarHBondContact O-OG1 3.15Å; L360-T366 HydrophobicContact CD2-CG2 4.2Å
367	V	98.7	Very high	96.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.7	178.7	-178.1	0	0	0	0	110.1	V138 E140 V339 F340 L388 I390	V138-V367 HydrophobicContact CB-CG2 4.49Å; V138-V367 CarbonylContact O-C 3.58Å; V138-V367 WeakPolarHBondContact O-CA 3.4Å; E140-V367 HydrophobicContact CB-CG1 4.23Å; V339-V367 HydrophobicContact CG1-CG2 3.71Å; F340-V367 PolarHBondContact O-N 3.26Å; V367-L388 HydrophobicContact CG1-CD1 4.07Å; V367-L388 HydrophobicContact CG2-CD1 4.25Å; V367-I390 HydrophobicContact CG2-CD1 4.19Å; V367-I390 HydrophobicContact CG2-CG1 4.24Å
368	L	98.6	Very high	96.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	98.6	171.1	-55.6	-171.3	0	0	0	108.2	L137 V138 W139 E140 V183 S184 P185 V188 V355	L137-L368 HydrophobicContact CB-CD1 4.28Å; L137-L368 HydrophobicContact CB-CG 4.44Å; L137-L368 HydrophobicContact CD1-CD1 4.08Å; L137-L368 HydrophobicContact CD2-CD1 4.48Å; L137-L368 HydrophobicContact CD2-CD2 4.47Å; V138-L368 PolarHBondContact O-N 3.16Å; W139-L368 HydrophobicContact CB-CB 4.4Å; E140-L368 PolarHBondContact N-O 3.37Å; V183-L368 HydrophobicContact CG2-CB 3.91Å; V183-L368 HydrophobicContact CG2-CD2 3.84Å; V183-L368 HydrophobicContact CG2-CG 4.32Å; S184-L368 VanDerWaalsContact C-CD1 3.46Å; P185-L368 HydrophobicContact CG-CD1 4.26Å; V188-L368 HydrophobicContact CG2-CD1 3.9Å; V188-L368 HydrophobicContact CG2-CD2 3.97Å; V355-L368 HydrophobicContact CG1-CD2 3.28Å
369	F	97.2	Very high	96.3	Very high	14 Å²	14	18.5 Å²	18.5	6%	0.061	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	106.9	-177.1	-173.9	-94.5	0	0	0	111.6	E140 V183 V343 S371 R380 Y381	E140-F369 HydrophobicContact CB-CD2 4.19Å; E140-F369 HydrophobicContact CG-CD2 3.79Å; E140-F369 HydrophobicContact CG-CE2 4.09Å; V183-F369 WeakPolarHBondContact CG1-O 3.21Å; V343-F369 HydrophobicContact CB-CB 4.23Å; V343-F369 HydrophobicContact CB-CD1 4.28Å; V343-F369 HydrophobicContact CB-CG 4.36Å; V343-F369 HydrophobicContact CG1-CB 4.03Å; V343-F369 HydrophobicContact CG1-CD1 4.4Å; V343-F369 HydrophobicContact CG1-CG 4.09Å; F369-S371 WeakPolarHBondContact CE1-O 3.46Å; F369-R380 HydrophobicContact CE2-CG 4.16Å; F369-R380 HydrophobicContact CZ-CG 3.85Å; F369-Y381 HydrophobicContact CD1-CE1 4Å; F369-Y381 HydrophobicContact CE1-CD1 4.14Å; F369-Y381 AromaticContact CE1-CE1 3.45Å; F369-Y381 HydrophobicContact CE1-CE1 3.45Å; F369-Y381 VanDerWaalsContact CE1-CE1 3.45Å; F369-Y381 HydrophobicContact CE2-CD1 4.08Å; F369-Y381 HydrophobicContact CE2-CE1 4.19Å; F369-Y381 AromaticContact CZ-CD1 3.74Å; F369-Y381 HydrophobicContact CZ-CD1 3.74Å; F369-Y381 AromaticContact CZ-CE1 3.55Å; F369-Y381 HydrophobicContact CZ-CE1 3.55Å
370	E	95.6	Very high	96.2	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.033	10%	0.104	C	C	.	.			trans	-83.2	-20.3	-175.6	-168.2	-178.2	-141.2	0	0	113.4	E140 R141 D142 V232 R262	E140-E370 WeakPolarHBondContact O-CB 3.46Å; E140-E370 PolarHBondContact O-N 2.95Å; R141-E370 WeakPolarHBondContact CA-OE2 3.46Å; D142-E370 PolarHBondContact N-OE2 3.47Å; D142-E370 VanDerWaalsContact N-OE2 3.12Å; V232-E370 WeakPolarHBondContact O-CG 3.5Å; R262-E370 IonicContact CZ-OE1 2.59Å; R262-E370 IonicContact CZ-OE2 3.13Å; R262-E370 IonicContact NE-OE1 3Å; R262-E370 PolarHBondContact NE-OE1 3.14Å; R262-E370 IonicContact NE-OE2 2.86Å; R262-E370 IonicContact NH2-OE1 3.16Å; R262-E370 PolarHBondContact NH2-OE1 3.4Å; R262-E370 IonicContact NH2-OE2 2.83Å; R262-E370 PolarHBondContact NH2-OE2 3.03Å
371	S	95	Very high	96.2	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.028	11%	0.107	C	C	.	.	S	Bend	trans	-88.1	-158.9	-167.2	-156.5	0	0	0	0	114.8	D142 F369	D142-S371 PolarHBondContact O-OG 2.75Å; D142-S371 VanDerWaalsContact OD1-CA 3.26Å; D142-S371 WeakPolarHBondContact OD1-CA 3.43Å; D142-S371 VanDerWaalsContact OD1-CB 3.22Å; D142-S371 WeakPolarHBondContact OD1-CB 3.47Å; D142-S371 PolarHBondContact OD1-OG 2.91Å; F369-S371 WeakPolarHBondContact CE1-O 3.46Å
372	T	89.9	Confident	96.1	Very high	31 Å²	31	18.6 Å²	18.6	19%	0.19	10%	0.102	C	C	.	.			trans	-117.5	159.2	170.9	77	0	0	0	0	110.1	R233 V374 Y375	R233-T372 HydrophobicContact CG-CG2 3.86Å; T372-V374 PolarHBondContact O-N 3.21Å; T372-Y375 WeakPolarHBondContact OG1-CB 3.11Å; T372-Y375 PolarHBondContact OG1-N 2.79Å
373	P	89.6	Confident	96.1	Very high	16 Å²	16	18.9 Å²	18.9	10%	0.104	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-17.8	177.2	18.7	-32.7	0	0	0	115.3	R380 Y381 A399 L402 L403	P373-R380 WeakPolarHBondContact O-CB 3.18Å; P373-Y381 HydrophobicContact CB-CD2 4.03Å; P373-Y381 HydrophobicContact CB-CE1 4.18Å; P373-Y381 HydrophobicContact CB-CE2 3.53Å; P373-Y381 HydrophobicContact CG-CE2 4.44Å; P373-A399 HydrophobicContact CG-CB 4.45Å; P373-L402 HydrophobicContact CG-CD2 3.92Å; P373-L403 HydrophobicContact CB-CD1 4.05Å; P373-L403 HydrophobicContact CB-CD2 4.14Å; P373-L403 HydrophobicContact CB-CG 4.19Å
374	V	91.6	Very high	96.1	Very high	46 Å²	46	19 Å²	19	28%	0.279	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	5.5	-168.3	-64	0	0	0	0	113.7	T372 P376 D377 L402 L403 Y406	T372-V374 PolarHBondContact O-N 3.21Å; V374-P376 CarbonylContact O-C 3.56Å; V374-P376 VanDerWaalsContact O-C 3.24Å; V374-D377 CarbonylContact C-O 3.5Å; V374-D377 VanDerWaalsContact C-O 3.24Å; V374-D377 WeakPolarHBondContact CA-O 3.42Å; V374-D377 CarbonylContact O-C 3.59Å; V374-D377 VanDerWaalsContact O-C 3.31Å; V374-D377 VanDerWaalsContact O-CA 3.23Å; V374-D377 WeakPolarHBondContact O-CA 3.29Å; V374-D377 PolarHBondContact O-N 2.74Å; V374-L402 HydrophobicContact CG1-CD2 3.84Å; V374-L402 HydrophobicContact CG1-CG 4.19Å; V374-L403 HydrophobicContact CG1-CD2 4.12Å; V374-Y406 HydrophobicContact CG1-CE2 4.24Å
375	Y	93.6	Very high	96.1	Very high	74 Å²	74	19 Å²	19	29%	0.29	10%	0.103	S	C	.	.	S	Bend	trans	-107	124.8	177.2	-179.7	-101.3	0	0	0	111	D142 G235 T372 D377 R380	D142-Y375 WeakPolarHBondContact OD2-CE1 3.17Å; G235-Y375 VanDerWaalsContact CA-CZ 3.49Å; T372-Y375 WeakPolarHBondContact OG1-CB 3.11Å; T372-Y375 PolarHBondContact OG1-N 2.79Å; Y375-D377 VanDerWaalsContact C-N 3.33Å; Y375-R380 WeakPolarHBondContact O-CB 3.47Å; Y375-R380 WeakPolarHBondContact O-CD 3.46Å; Y375-R380 WeakPolarHBondContact O-CG 3.47Å; Y375-R380 PolarHBondContact O-NE 3.34Å; Y375-R380 VanDerWaalsContact O-NE 3.13Å
376	P	96.1	Very high	96.1	Very high	75 Å²	75	22.4 Å²	22.4	49%	0.487	12%	0.118	S	C	.	.	S	Bend	cis	-78.2	-14.1	0.7	33.4	-37.6	0	0	0	113.5	P144 V374	P144-P376 HydrophobicContact CG-CG 3.9Å; V374-P376 CarbonylContact O-C 3.56Å; V374-P376 VanDerWaalsContact O-C 3.24Å
377	D	96.3	Very high	96.1	Very high	43 Å²	43	25.9 Å²	25.9	23%	0.23	13%	0.131	C	C	.	.	S	Bend	trans	-148.9	169.4	179.8	65.3	58.8	0	0	0	111.9	V374 Y375 G379 R380 W410	V374-D377 CarbonylContact C-O 3.5Å; V374-D377 VanDerWaalsContact C-O 3.24Å; V374-D377 WeakPolarHBondContact CA-O 3.42Å; V374-D377 CarbonylContact O-C 3.59Å; V374-D377 VanDerWaalsContact O-C 3.31Å; V374-D377 VanDerWaalsContact O-CA 3.23Å; V374-D377 WeakPolarHBondContact O-CA 3.29Å; V374-D377 PolarHBondContact O-N 2.74Å; Y375-D377 VanDerWaalsContact C-N 3.33Å; D377-G379 PolarHBondContact O-N 3.31Å; D377-G379 VanDerWaalsContact OD1-CA 3.25Å; D377-G379 WeakPolarHBondContact OD1-CA 3.23Å; D377-G379 PolarHBondContact OD1-N 2.69Å; D377-R380 WeakPolarHBondContact O-CB 3.21Å; D377-R380 PolarHBondContact O-N 3.35Å; D377-R380 VanDerWaalsContact O-N 3.16Å; D377-W410 HydrophobicContact CB-CE3 4.21Å; D377-W410 HydrophobicContact CB-CH2 3.97Å; D377-W410 HydrophobicContact CB-CZ3 3.55Å; D377-W410 WeakPolarHBondContact OD1-CZ3 3.42Å
378	P	94.8	Very high	96	Very high	15 Å²	15	26.8 Å²	26.8	10%	0.097	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-4.4	-179.6	-22.2	34.4	0	0	0	115.5	R380 L403 Y406 W410	P378-R380 VanDerWaalsContact C-N 3.33Å; P378-L403 HydrophobicContact CB-CD2 4.08Å; P378-L403 WeakPolarHBondContact O-CD2 3.42Å; P378-Y406 HydrophobicContact CB-CD1 4.11Å; P378-Y406 HydrophobicContact CB-CD2 3.78Å; P378-Y406 HydrophobicContact CB-CE1 4.45Å; P378-Y406 HydrophobicContact CB-CE2 4.14Å; P378-Y406 HydrophobicContact CB-CG 3.75Å; P378-Y406 HydrophobicContact CG-CD1 3.46Å; P378-Y406 VanDerWaalsContact CG-CD1 3.46Å; P378-Y406 HydrophobicContact CG-CD2 3.86Å; P378-Y406 HydrophobicContact CG-CE1 3.49Å; P378-Y406 VanDerWaalsContact CG-CE1 3.49Å; P378-Y406 HydrophobicContact CG-CE2 3.89Å; P378-Y406 HydrophobicContact CG-CG 3.64Å; P378-W410 HydrophobicContact CB-CB 4.42Å; P378-W410 HydrophobicContact CB-CD2 4.39Å; P378-W410 HydrophobicContact CB-CG 4.2Å
379	G	97.1	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6	173.6	0	0	0	0	0	114.2	D377 Y381 W382 E383 Y414	D377-G379 PolarHBondContact O-N 3.31Å; D377-G379 VanDerWaalsContact OD1-CA 3.25Å; D377-G379 WeakPolarHBondContact OD1-CA 3.23Å; D377-G379 PolarHBondContact OD1-N 2.69Å; G379-Y381 PolarHBondContact O-N 3.44Å; G379-W382 PolarHBondContact O-N 3.22Å; G379-E383 PolarHBondContact O-N 2.82Å; G379-Y414 WeakPolarHBondContact O-CE2 3.42Å
380	R	97.4	Very high	96.1	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.015	15%	0.146	C	C	.	.	H	α-helix	trans	-52.9	-46.3	-166.7	-176.4	58.5	160	135.7	4	115	E140 R141 D142 P144 F369 P373 Y375 D377 P378 W382 E383 T384	E140-R380 IonicContact OE1-CZ 2.66Å; E140-R380 VanDerWaalsContact OE1-CZ 3.23Å; E140-R380 IonicContact OE1-NH1 2.74Å; E140-R380 PolarHBondContact OE1-NH1 2.59Å; E140-R380 IonicContact OE1-NH2 3.29Å; E140-R380 PolarHBondContact OE1-NH2 2.76Å; R141-R380 PolarHBondContact O-NH2 3.16Å; D142-R380 PolarHBondContact O-NH2 3.07Å; P144-R380 VanDerWaalsContact CA-NH1 3.31Å; F369-R380 HydrophobicContact CE2-CG 4.16Å; F369-R380 HydrophobicContact CZ-CG 3.85Å; P373-R380 WeakPolarHBondContact O-CB 3.18Å; Y375-R380 WeakPolarHBondContact O-CB 3.47Å; Y375-R380 WeakPolarHBondContact O-CD 3.46Å; Y375-R380 WeakPolarHBondContact O-CG 3.47Å; Y375-R380 PolarHBondContact O-NE 3.34Å; Y375-R380 VanDerWaalsContact O-NE 3.13Å; D377-R380 WeakPolarHBondContact O-CB 3.21Å; D377-R380 PolarHBondContact O-N 3.35Å; D377-R380 VanDerWaalsContact O-N 3.16Å; P378-R380 VanDerWaalsContact C-N 3.33Å; R380-W382 VanDerWaalsContact C-N 3.33Å; R380-W382 PolarHBondContact O-N 3.22Å; R380-E383 IonicContact NH1-OE2 2.63Å; R380-E383 PolarHBondContact NH1-OE2 2.94Å; R380-T384 WeakPolarHBondContact O-CB 3.45Å; R380-T384 PolarHBondContact O-N 2.75Å; R380-T384 VanDerWaalsContact O-N 3.14Å; R380-T384 PolarHBondContact O-OG1 3.38Å
381	Y	97.9	Very high	96.2	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.051	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-40.6	178.7	-75.8	-19.6	0	0	0	112.2	V343 F369 P373 G379 T384 V385 F393 A399 L403	V343-Y381 HydrophobicContact CB-CE1 4.14Å; V343-Y381 HydrophobicContact CG1-CD1 4.4Å; V343-Y381 HydrophobicContact CG1-CE1 4.01Å; V343-Y381 HydrophobicContact CG2-CE1 4.21Å; V343-Y381 HydrophobicContact CG2-CE2 4.41Å; F369-Y381 HydrophobicContact CD1-CE1 4Å; F369-Y381 HydrophobicContact CE1-CD1 4.14Å; F369-Y381 AromaticContact CE1-CE1 3.45Å; F369-Y381 HydrophobicContact CE1-CE1 3.45Å; F369-Y381 VanDerWaalsContact CE1-CE1 3.45Å; F369-Y381 HydrophobicContact CE2-CD1 4.08Å; F369-Y381 HydrophobicContact CE2-CE1 4.19Å; F369-Y381 AromaticContact CZ-CD1 3.74Å; F369-Y381 HydrophobicContact CZ-CD1 3.74Å; F369-Y381 AromaticContact CZ-CE1 3.55Å; F369-Y381 HydrophobicContact CZ-CE1 3.55Å; P373-Y381 HydrophobicContact CB-CD2 4.03Å; P373-Y381 HydrophobicContact CB-CE1 4.18Å; P373-Y381 HydrophobicContact CB-CE2 3.53Å; P373-Y381 HydrophobicContact CG-CE2 4.44Å; G379-Y381 PolarHBondContact O-N 3.44Å; Y381-T384 WeakPolarHBondContact O-CB 3.24Å; Y381-T384 PolarHBondContact O-N 2.9Å; Y381-V385 WeakPolarHBondContact O-CG2 3.46Å; Y381-V385 PolarHBondContact O-N 2.84Å; Y381-F393 HydrophobicContact CD1-CE2 4.3Å; Y381-F393 HydrophobicContact CD1-CZ 4.38Å; Y381-F393 HydrophobicContact CD2-CE2 4.09Å; Y381-F393 AromaticContact CD2-CZ 3.51Å; Y381-F393 HydrophobicContact CD2-CZ 3.51Å; Y381-F393 AromaticContact CE2-CZ 3.83Å; Y381-F393 HydrophobicContact CE2-CZ 3.83Å; Y381-F393 AromaticContact CG-CE2 3.91Å; Y381-F393 HydrophobicContact CG-CE2 3.91Å; Y381-F393 AromaticContact CG-CZ 3.82Å; Y381-F393 HydrophobicContact CG-CZ 3.82Å; Y381-A399 HydrophobicContact CE2-CB 4.12Å; Y381-L403 HydrophobicContact CD2-CD1 3.51Å; Y381-L403 HydrophobicContact CE2-CD1 3.99Å; Y381-L403 HydrophobicContact CG-CD1 4.46Å
382	W	97.8	Very high	96.4	Very high	1 Å²	1	28 Å²	28	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-78.9	-33.5	-173.1	-38.9	123.8	0	0	0	111.6	G379 R380 T384 V385 Q386 F393 L403 V411 Y414 W436 F437 V441	G379-W382 PolarHBondContact O-N 3.22Å; R380-W382 VanDerWaalsContact C-N 3.33Å; R380-W382 PolarHBondContact O-N 3.22Å; W382-T384 VanDerWaalsContact C-N 3.3Å; W382-V385 HydrophobicContact CE3-CG2 4.41Å; W382-V385 PolarHBondContact O-N 3.01Å; W382-Q386 PolarHBondContact O-N 3.43Å; W382-F393 HydrophobicContact CZ3-CE1 4.47Å; W382-F393 HydrophobicContact CZ3-CE2 4.36Å; W382-F393 HydrophobicContact CZ3-CZ 4.34Å; W382-L403 HydrophobicContact CH2-CD1 4.47Å; W382-L403 HydrophobicContact CZ2-CD1 3.66Å; W382-V411 HydrophobicContact CD2-CG1 4.06Å; W382-V411 HydrophobicContact CG-CB 4.42Å; W382-V411 HydrophobicContact CG-CG1 3.94Å; W382-Y414 HydrophobicContact CB-CD2 3.64Å; W382-Y414 HydrophobicContact CB-CE2 4.36Å; W382-Y414 HydrophobicContact CB-CG 4.18Å; W382-W436 AromaticContact CZ2-CH2 3.82Å; W382-W436 HydrophobicContact CZ2-CH2 3.82Å; W382-W436 HydrophobicContact CZ2-CZ3 4.18Å; W382-F437 HydrophobicContact CH2-CE2 4.28Å; W382-V441 HydrophobicContact CE3-CG1 3.8Å; W382-V441 HydrophobicContact CH2-CB 4.31Å; W382-V441 HydrophobicContact CH2-CG1 3.7Å; W382-V441 HydrophobicContact CH2-CG2 3.62Å; W382-V441 HydrophobicContact CZ2-CG1 4.46Å; W382-V441 HydrophobicContact CZ2-CG2 3.73Å; W382-V441 HydrophobicContact CZ3-CB 4.38Å; W382-V441 HydrophobicContact CZ3-CG1 3.33Å; W382-V441 HydrophobicContact CZ3-CG2 4.11Å
383	E	97.6	Very high	96.8	Very high	35 Å²	35	26.7 Å²	26.7	16%	0.164	14%	0.14	C	C	.	.	H	α-helix	trans	-56	-47.8	164.9	-173.4	-79.3	145.1	0	0	110.9	G379 R380 V385 Q386 R387 Y414	G379-E383 PolarHBondContact O-N 2.82Å; R380-E383 IonicContact NH1-OE2 2.63Å; R380-E383 PolarHBondContact NH1-OE2 2.94Å; E383-V385 PolarHBondContact O-N 3.3Å; E383-Q386 PolarHBondContact O-N 2.86Å; E383-R387 WeakPolarHBondContact O-CB 3.31Å; E383-R387 PolarHBondContact O-N 2.81Å; E383-R387 IonicContact OE1-CZ 3.43Å; E383-R387 IonicContact OE1-NE 2.88Å; E383-R387 PolarHBondContact OE1-NE 3.5Å; E383-R387 IonicContact OE1-NH2 2.76Å; E383-R387 PolarHBondContact OE1-NH2 3.4Å; E383-R387 IonicContact OE2-CZ 2.7Å; E383-R387 IonicContact OE2-NE 2.63Å; E383-R387 IonicContact OE2-NH2 3.55Å; E383-R387 PolarHBondContact OE2-NH2 3.18Å; E383-Y414 HydrophobicContact CB-CD1 4.13Å; E383-Y414 HydrophobicContact CB-CE1 3.56Å; E383-Y414 HydrophobicContact CB-CE2 4.23Å; E383-Y414 HydrophobicContact CG-CE1 3.8Å
384	T	97.7	Very high	97.3	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-41.8	179.7	-56.3	0	0	0	0	111	E140 R380 Y381 W382 L388 I390	E140-T384 HydrophobicContact CG-CG2 3.99Å; R380-T384 WeakPolarHBondContact O-CB 3.45Å; R380-T384 PolarHBondContact O-N 2.75Å; R380-T384 VanDerWaalsContact O-N 3.14Å; R380-T384 PolarHBondContact O-OG1 3.38Å; Y381-T384 WeakPolarHBondContact O-CB 3.24Å; Y381-T384 PolarHBondContact O-N 2.9Å; W382-T384 VanDerWaalsContact C-N 3.3Å; T384-L388 HydrophobicContact CG2-CD1 3.51Å; T384-L388 HydrophobicContact CG2-CG 4.05Å; T384-L388 VanDerWaalsContact O-CB 3.24Å; T384-L388 WeakPolarHBondContact O-CB 3.21Å; T384-L388 WeakPolarHBondContact O-CG 3.2Å; T384-L388 PolarHBondContact O-N 3.44Å; T384-I390 HydrophobicContact CG2-CD1 4.04Å
385	V	98.5	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-51.4	174.4	166.9	0	0	0	0	110.9	Y381 W382 E383 G389 I390 F393 R416 L419	Y381-V385 WeakPolarHBondContact O-CG2 3.46Å; Y381-V385 PolarHBondContact O-N 2.84Å; W382-V385 HydrophobicContact CE3-CG2 4.41Å; W382-V385 PolarHBondContact O-N 3.01Å; E383-V385 PolarHBondContact O-N 3.3Å; V385-G389 WeakPolarHBondContact O-CA 3.27Å; V385-G389 PolarHBondContact O-N 2.91Å; V385-I390 HydrophobicContact CB-CB 4.47Å; V385-I390 HydrophobicContact CG1-CB 4.48Å; V385-I390 HydrophobicContact CG2-CB 4.18Å; V385-I390 HydrophobicContact CG2-CD1 4.15Å; V385-I390 PolarHBondContact O-N 3.31Å; V385-F393 HydrophobicContact CG2-CD2 4Å; V385-R416 HydrophobicContact CG1-CG 4.45Å; V385-L419 HydrophobicContact CG1-CD1 3.99Å; V385-L419 HydrophobicContact CG1-CD2 3.86Å; V385-L419 HydrophobicContact CG1-CG 3.7Å; V385-L419 HydrophobicContact CG2-CD2 4.22Å
386	Q	98.4	Very high	96.6	Very high	89 Å²	89	21.8 Å²	21.8	42%	0.416	12%	0.121	S	C	.	.	H	α-helix	trans	-60.8	-52.2	-179.8	-179	-177.2	-80.7	0	0	111.7	W382 E383 Y414 D415	W382-Q386 PolarHBondContact O-N 3.43Å; E383-Q386 PolarHBondContact O-N 2.86Å; Q386-Y414 VanDerWaalsContact OE1-CA 3.32Å; Q386-D415 WeakPolarHBondContact CA-O 3.35Å; Q386-D415 VanDerWaalsContact CB-O 3.3Å; Q386-D415 WeakPolarHBondContact CB-O 3.5Å; Q386-D415 HydrophobicContact CG-CB 4.12Å
387	R	97.9	Very high	95.8	Very high	72 Å²	72	18.2 Å²	18.2	27%	0.272	10%	0.098	S	C	.	.	H	α-helix	trans	-69.2	-40.8	-173.2	176.4	172.4	44.3	77.5	15.1	112.4	E140 E147 E383	E140-R387 IonicContact OE1-CZ 3.34Å; E140-R387 IonicContact OE1-NH1 2.91Å; E140-R387 IonicContact OE1-NH2 3.52Å; E140-R387 PolarHBondContact OE1-NH2 3.02Å; E140-R387 IonicContact OE2-CZ 2.74Å; E140-R387 VanDerWaalsContact OE2-CZ 3.28Å; E140-R387 IonicContact OE2-NH1 3.97Å; E140-R387 PolarHBondContact OE2-NH1 3.16Å; E140-R387 IonicContact OE2-NH2 3.82Å; E140-R387 PolarHBondContact OE2-NH2 2.98Å; E147-R387 IonicContact OE1-NH1 2.83Å; E147-R387 IonicContact OE2-CZ 3.56Å; E147-R387 IonicContact OE2-NH1 2.65Å; E147-R387 PolarHBondContact OE2-NH1 3.26Å; E383-R387 WeakPolarHBondContact O-CB 3.31Å; E383-R387 PolarHBondContact O-N 2.81Å; E383-R387 IonicContact OE1-CZ 3.43Å; E383-R387 IonicContact OE1-NE 2.88Å; E383-R387 PolarHBondContact OE1-NE 3.5Å; E383-R387 IonicContact OE1-NH2 2.76Å; E383-R387 PolarHBondContact OE1-NH2 3.4Å; E383-R387 IonicContact OE2-CZ 2.7Å; E383-R387 IonicContact OE2-NE 2.63Å; E383-R387 IonicContact OE2-NH2 3.55Å; E383-R387 PolarHBondContact OE2-NH2 3.18Å
388	L	97.9	Very high	94.7	Very high	21 Å²	21	17 Å²	17	11%	0.11	9%	0.093	C	C	.	.	H	α-helix	trans	-89	-10.8	-177.1	-58	-173	0	0	0	113.3	V138 E140 E147 V367 T384 I390	V138-L388 HydrophobicContact CG1-CD1 3.76Å; V138-L388 HydrophobicContact CG1-CD2 3.83Å; V138-L388 HydrophobicContact CG1-CG 4.41Å; E140-L388 HydrophobicContact CB-CD1 4.44Å; E147-L388 HydrophobicContact CB-CD2 4.5Å; E147-L388 HydrophobicContact CG-CD2 4.04Å; V367-L388 HydrophobicContact CG1-CD1 4.07Å; V367-L388 HydrophobicContact CG2-CD1 4.25Å; T384-L388 HydrophobicContact CG2-CD1 3.51Å; T384-L388 HydrophobicContact CG2-CG 4.05Å; T384-L388 VanDerWaalsContact O-CB 3.24Å; T384-L388 WeakPolarHBondContact O-CB 3.21Å; T384-L388 WeakPolarHBondContact O-CG 3.2Å; T384-L388 PolarHBondContact O-N 3.44Å; L388-I390 HydrophobicContact CB-CG1 4.13Å
389	G	98.2	Very high	93.8	Very high	26 Å²	26	17.1 Å²	17.1	27%	0.268	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	42.1	-177.8	0	0	0	0	0	112.5	V385 N391	V385-G389 WeakPolarHBondContact O-CA 3.27Å; V385-G389 PolarHBondContact O-N 2.91Å; G389-N391 PolarHBondContact O-N 3.42Å
390	I	98.8	Very high	93.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	10%	0.095	C	C	.	.			trans	-61.1	133.2	-177.5	-65.6	177.8	0	0	0	109.9	V339 V367 T384 V385 L388 Q392 F393 S418 L419	V339-I390 HydrophobicContact CG1-CG1 4.18Å; V367-I390 HydrophobicContact CG2-CD1 4.19Å; V367-I390 HydrophobicContact CG2-CG1 4.24Å; T384-I390 HydrophobicContact CG2-CD1 4.04Å; V385-I390 HydrophobicContact CB-CB 4.47Å; V385-I390 HydrophobicContact CG1-CB 4.48Å; V385-I390 HydrophobicContact CG2-CB 4.18Å; V385-I390 HydrophobicContact CG2-CD1 4.15Å; V385-I390 PolarHBondContact O-N 3.31Å; L388-I390 HydrophobicContact CB-CG1 4.13Å; I390-Q392 WeakPolarHBondContact CG2-O 3.28Å; I390-F393 HydrophobicContact CG2-CB 4.42Å; I390-S418 CarbonylContact O-C 3.24Å; I390-S418 WeakPolarHBondContact O-CB 3.16Å; I390-S418 PolarHBondContact O-OG 3.12Å; I390-L419 HydrophobicContact CG2-CD2 4.12Å; I390-L419 WeakPolarHBondContact O-CD2 3.45Å; I390-L419 PolarHBondContact O-N 3.47Å
391	N	98.8	Very high	92.4	Very high	23 Å²	23	19.1 Å²	19.1	12%	0.123	10%	0.103	C	C	.	.	S	Bend	trans	-99.5	-36.7	178.8	-60.7	111.2	0	0	0	112.7	D338 V339 G389 S418 K420 T421	D338-N391 VanDerWaalsContact CA-OD1 3.25Å; D338-N391 WeakPolarHBondContact CA-OD1 3.34Å; D338-N391 HydrophobicContact CB-CB 3.98Å; V339-N391 PolarHBondContact N-OD1 3.09Å; V339-N391 PolarHBondContact O-N 3.28Å; G389-N391 PolarHBondContact O-N 3.42Å; N391-S418 WeakPolarHBondContact CA-O 3.37Å; N391-S418 PolarHBondContact ND2-O 3.32Å; N391-K420 HydrophobicContact CB-CD 4.2Å; N391-K420 HydrophobicContact CB-CG 4.34Å; N391-K420 PolarHBondContact O-N 2.87Å; N391-T421 PolarHBondContact O-N 2.73Å
392	Q	98.7	Very high	91.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.9	174.2	-62.4	82.3	19.3	0	0	108.9	F332 D338 V339 F340 G341 I390 T421	F332-Q392 HydrophobicContact CB-CG 4.21Å; F332-Q392 WeakPolarHBondContact O-CG 3.46Å; D338-Q392 PolarHBondContact OD2-NE2 3.12Å; V339-Q392 PolarHBondContact O-N 2.65Å; F340-Q392 HydrophobicContact CD2-CB 3.53Å; F340-Q392 HydrophobicContact CD2-CG 4.15Å; F340-Q392 HydrophobicContact CE2-CB 3.66Å; F340-Q392 HydrophobicContact CE2-CG 4.33Å; G341-Q392 WeakPolarHBondContact CA-O 3.19Å; G341-Q392 PolarHBondContact N-O 2.92Å; I390-Q392 WeakPolarHBondContact CG2-O 3.28Å; Q392-T421 WeakPolarHBondContact CA-O 3.44Å
393	F	98.8	Very high	90.8	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.9	174.7	-178.4	-81.1	0	0	0	109.3	V343 Y381 W382 V385 I390 I400 L419 T421 L422 G423 F437	V343-F393 HydrophobicContact CG1-CE2 3.87Å; V343-F393 HydrophobicContact CG1-CZ 4.18Å; V343-F393 HydrophobicContact CG2-CZ 4.02Å; Y381-F393 HydrophobicContact CD1-CE2 4.3Å; Y381-F393 HydrophobicContact CD1-CZ 4.38Å; Y381-F393 HydrophobicContact CD2-CE2 4.09Å; Y381-F393 AromaticContact CD2-CZ 3.51Å; Y381-F393 HydrophobicContact CD2-CZ 3.51Å; Y381-F393 AromaticContact CE2-CZ 3.83Å; Y381-F393 HydrophobicContact CE2-CZ 3.83Å; Y381-F393 AromaticContact CG-CE2 3.91Å; Y381-F393 HydrophobicContact CG-CE2 3.91Å; Y381-F393 AromaticContact CG-CZ 3.82Å; Y381-F393 HydrophobicContact CG-CZ 3.82Å; W382-F393 HydrophobicContact CZ3-CE1 4.47Å; W382-F393 HydrophobicContact CZ3-CE2 4.36Å; W382-F393 HydrophobicContact CZ3-CZ 4.34Å; V385-F393 HydrophobicContact CG2-CD2 4Å; I390-F393 HydrophobicContact CG2-CB 4.42Å; F393-I400 HydrophobicContact CE1-CD1 4.48Å; F393-L419 HydrophobicContact CB-CD2 3.89Å; F393-T421 PolarHBondContact N-O 2.93Å; F393-L422 HydrophobicContact CB-CD2 4.12Å; F393-L422 CarbonylContact O-C 3.31Å; F393-L422 WeakPolarHBondContact O-CA 3.42Å; F393-G423 PolarHBondContact O-N 3.39Å; F393-F437 HydrophobicContact CD1-CE2 4.13Å; F393-F437 AromaticContact CD1-CZ 3.77Å; F393-F437 HydrophobicContact CD1-CZ 3.77Å; F393-F437 HydrophobicContact CE1-CE2 4.41Å; F393-F437 HydrophobicContact CE1-CZ 4.12Å
394	Y	98.6	Very high	90.1	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	112.8	-176	-174.3	-146.4	0	0	0	111.1	F332 F340 G341 C342 V343 T350 Y354 V425 T451 W453	F332-Y394 AromaticContact CE1-CD1 3.91Å; F332-Y394 HydrophobicContact CE1-CD1 3.91Å; F332-Y394 AromaticContact CE1-CD2 3.66Å; F332-Y394 HydrophobicContact CE1-CD2 3.66Å; F332-Y394 HydrophobicContact CE1-CE1 4.13Å; F332-Y394 AromaticContact CE1-CE2 3.85Å; F332-Y394 HydrophobicContact CE1-CE2 3.85Å; F332-Y394 AromaticContact CE1-CG 3.67Å; F332-Y394 HydrophobicContact CE1-CG 3.67Å; F332-Y394 HydrophobicContact CE2-CE1 4.45Å; F332-Y394 AromaticContact CZ-CD1 3.74Å; F332-Y394 HydrophobicContact CZ-CD1 3.74Å; F332-Y394 HydrophobicContact CZ-CD2 4Å; F332-Y394 AromaticContact CZ-CE1 3.54Å; F332-Y394 HydrophobicContact CZ-CE1 3.54Å; F332-Y394 AromaticContact CZ-CE2 3.78Å; F332-Y394 HydrophobicContact CZ-CE2 3.78Å; F332-Y394 AromaticContact CZ-CG 3.96Å; F332-Y394 HydrophobicContact CZ-CG 3.96Å; F332-Y394 AromaticContact CZ-CZ 3.54Å; F340-Y394 HydrophobicContact CE1-CD1 4.5Å; F340-Y394 HydrophobicContact CZ-CD1 4.18Å; G341-Y394 PolarHBondContact O-N 3.09Å; C342-Y394 WeakPolarHBondContact CA-O 3.47Å; C342-Y394 HydrophobicContact CB-CD1 4.05Å; C342-Y394 VanDerWaalsContact SG-CD1 3.54Å; V343-Y394 PolarHBondContact N-O 3.38Å; T350-Y394 HydrophobicContact CG2-CD1 4.35Å; T350-Y394 HydrophobicContact CG2-CE1 3.78Å; Y354-Y394 AromaticContact CD2-CE1 3.68Å; Y354-Y394 HydrophobicContact CD2-CE1 3.68Å; Y354-Y394 HydrophobicContact CE2-CE1 4.46Å; Y354-Y394 HydrophobicContact CG-CD1 4.48Å; Y354-Y394 AromaticContact CG-CE1 3.89Å; Y354-Y394 HydrophobicContact CG-CE1 3.89Å; Y394-V425 HydrophobicContact CD2-CB 4.43Å; Y394-V425 HydrophobicContact CD2-CG1 4.06Å; Y394-V425 HydrophobicContact CE1-CB 4.48Å; Y394-V425 HydrophobicContact CE1-CG1 4.16Å; Y394-V425 HydrophobicContact CE2-CB 3.43Å; Y394-V425 VanDerWaalsContact CE2-CB 3.43Å; Y394-V425 HydrophobicContact CE2-CG1 3.48Å; Y394-V425 VanDerWaalsContact CE2-CG1 3.48Å; Y394-V425 HydrophobicContact CE2-CG2 4.39Å; Y394-V425 VanDerWaalsContact CZ-CB 3.46Å; Y394-V425 VanDerWaalsContact OH-CB 3.25Å; Y394-V425 WeakPolarHBondContact OH-CB 3.38Å; Y394-V425 VanDerWaalsContact OH-CG2 3.28Å; Y394-V425 WeakPolarHBondContact OH-CG2 3.17Å; Y394-T451 HydrophobicContact CE2-CG2 4.34Å; Y394-T451 PolarHBondContact OH-OG1 3.36Å; Y394-W453 PolarHBondContact OH-NE1 3.26Å
395	G	89.8	Confident	89.3	Confident	4 Å²	4	26.8 Å²	26.8	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	174.1	-174	0	0	0	0	0	113.1	G423 S424 V425	G395-G423 PolarHBondContact N-O 3.05Å; G395-G423 VanDerWaalsContact N-O 3.14Å; G395-S424 WeakPolarHBondContact O-CA 3.11Å; G395-V425 PolarHBondContact O-N 3.46Å
396	A	82.1	Confident	88.9	Confident	28 Å²	28	31.6 Å²	31.6	23%	0.231	16%	0.158	C	C	.	.			trans	-91.4	146	179.8	0	0	0	0	0	111.7	T398 A399 I400 V425	A396-T398 PolarHBondContact O-N 3.48Å; A396-A399 PolarHBondContact O-N 2.86Å; A396-I400 PolarHBondContact O-N 2.87Å; A396-V425 WeakPolarHBondContact CA-O 3.45Å
397	P	79.1	Confident	88.6	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-51.3	-33.8	175.1	-24.1	28	0	0	0	113.6	A399 I400 R401 S424 V425 E427 I429	P397-A399 VanDerWaalsContact C-N 3.34Å; P397-A399 PolarHBondContact O-N 2.62Å; P397-I400 PolarHBondContact O-N 2.98Å; P397-I400 VanDerWaalsContact O-N 3.16Å; P397-R401 WeakPolarHBondContact O-CB 3.47Å; P397-R401 WeakPolarHBondContact O-CG 3.37Å; P397-R401 PolarHBondContact O-N 3.06Å; P397-S424 WeakPolarHBondContact CG-OG 3.4Å; P397-V425 WeakPolarHBondContact CD-O 3.49Å; P397-E427 HydrophobicContact CG-CB 4.25Å; P397-E427 VanDerWaalsContact CG-O 3.32Å; P397-E427 WeakPolarHBondContact CG-O 3.49Å; P397-I429 HydrophobicContact CB-CB 4.23Å; P397-I429 HydrophobicContact CB-CG1 4.34Å; P397-I429 HydrophobicContact CG-CB 4.02Å
398	T	72.4	Confident	88.5	Confident	19 Å²	19	34.6 Å²	34.6	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-37.5	179.6	-62.3	0	0	0	0	113.1	A396 R401 L402 E427 G651	A396-T398 PolarHBondContact O-N 3.48Å; T398-R401 PolarHBondContact OG1-NH2 2.76Å; T398-L402 PolarHBondContact O-N 2.88Å; T398-L402 VanDerWaalsContact O-N 3.12Å; T398-E427 PolarHBondContact OG1-OE1 3.09Å; T398-E427 PolarHBondContact OG1-OE2 2.87Å; T398-G651 PolarHBondContact OG1-O 2.98Å
399	A	76.1	Confident	88.4	Confident	17 Å²	17	36.3 Å²	36.3	14%	0.14	19%	0.189	C	C	.	.	H	α-helix	trans	-70.6	-37.4	174.3	0	0	0	0	0	111.1	P373 Y381 A396 P397 L402 L403	P373-A399 HydrophobicContact CG-CB 4.45Å; Y381-A399 HydrophobicContact CE2-CB 4.12Å; A396-A399 PolarHBondContact O-N 2.86Å; P397-A399 VanDerWaalsContact C-N 3.34Å; P397-A399 PolarHBondContact O-N 2.62Å; A399-L402 WeakPolarHBondContact O-CB 3.34Å; A399-L402 PolarHBondContact O-N 3.44Å; A399-L403 WeakPolarHBondContact O-CG 3.25Å; A399-L403 PolarHBondContact O-N 2.78Å; A399-L403 VanDerWaalsContact O-N 3.09Å
400	I	85.3	Confident	88.4	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-48.9	176.6	-56.4	-52.4	0	0	0	110.9	F393 A396 P397 L402 L403 L404 A433 W436 F437	F393-I400 HydrophobicContact CE1-CD1 4.48Å; A396-I400 PolarHBondContact O-N 2.87Å; P397-I400 PolarHBondContact O-N 2.98Å; P397-I400 VanDerWaalsContact O-N 3.16Å; I400-L402 VanDerWaalsContact C-N 3.26Å; I400-L402 PolarHBondContact O-N 2.87Å; I400-L403 PolarHBondContact O-N 3.17Å; I400-L403 VanDerWaalsContact O-N 3.09Å; I400-L404 WeakPolarHBondContact O-CB 3.48Å; I400-L404 PolarHBondContact O-N 3.05Å; I400-A433 HydrophobicContact CG2-CB 4.06Å; I400-W436 HydrophobicContact CG2-CE3 3.78Å; I400-W436 HydrophobicContact CG2-CZ3 3.88Å; I400-F437 HydrophobicContact CD1-CD1 4.27Å; I400-F437 HydrophobicContact CD1-CD2 4.04Å; I400-F437 HydrophobicContact CD1-CE1 4.1Å; I400-F437 HydrophobicContact CD1-CE2 3.87Å; I400-F437 HydrophobicContact CD1-CG 4.27Å; I400-F437 HydrophobicContact CD1-CZ 3.91Å; I400-F437 HydrophobicContact CG1-CD1 4.2Å; I400-F437 HydrophobicContact CG1-CE1 4.26Å; I400-F437 HydrophobicContact CG1-CG 4.46Å; I400-F437 HydrophobicContact CG2-CB 3.98Å; I400-F437 HydrophobicContact CG2-CG 4.21Å
401	R	79.8	Confident	88.4	Confident	45 Å²	45	38.9 Å²	38.9	17%	0.17	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-32	175.4	-73.6	-175.4	-65.9	-108.2	2.7	113.1	P397 T398 E427 P428 A433	P397-R401 WeakPolarHBondContact O-CB 3.47Å; P397-R401 WeakPolarHBondContact O-CG 3.37Å; P397-R401 PolarHBondContact O-N 3.06Å; T398-R401 PolarHBondContact OG1-NH2 2.76Å; R401-E427 IonicContact NH2-OE2 3.75Å; R401-E427 PolarHBondContact NH2-OE2 3.04Å; R401-P428 PolarHBondContact NH1-O 3.16Å; R401-A433 HydrophobicContact CG-CB 3.87Å
402	L	76.7	Confident	88.3	Confident	63 Å²	63	43.4 Å²	43.4	33%	0.33	21%	0.21	S	C	.	.	H	α-helix	trans	-65.8	-47.1	173.1	173.3	62.8	0	0	0	111	P373 V374 T398 A399 I400 K405 Y406	P373-L402 HydrophobicContact CG-CD2 3.92Å; V374-L402 HydrophobicContact CG1-CD2 3.84Å; V374-L402 HydrophobicContact CG1-CG 4.19Å; T398-L402 PolarHBondContact O-N 2.88Å; T398-L402 VanDerWaalsContact O-N 3.12Å; A399-L402 WeakPolarHBondContact O-CB 3.34Å; A399-L402 PolarHBondContact O-N 3.44Å; I400-L402 VanDerWaalsContact C-N 3.26Å; I400-L402 PolarHBondContact O-N 2.87Å; L402-K405 PolarHBondContact O-N 2.89Å; L402-Y406 HydrophobicContact CD1-CE2 4.39Å; L402-Y406 WeakPolarHBondContact O-CD2 3.39Å
403	L	84.9	Confident	88.2	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-71.5	-33.7	-177	-69.2	173.4	0	0	0	112.9	P373 V374 P378 Y381 W382 A399 I400 K405 Y406 W436	P373-L403 HydrophobicContact CB-CD1 4.05Å; P373-L403 HydrophobicContact CB-CD2 4.14Å; P373-L403 HydrophobicContact CB-CG 4.19Å; V374-L403 HydrophobicContact CG1-CD2 4.12Å; P378-L403 HydrophobicContact CB-CD2 4.08Å; P378-L403 WeakPolarHBondContact O-CD2 3.42Å; Y381-L403 HydrophobicContact CD2-CD1 3.51Å; Y381-L403 HydrophobicContact CE2-CD1 3.99Å; Y381-L403 HydrophobicContact CG-CD1 4.46Å; W382-L403 HydrophobicContact CH2-CD1 4.47Å; W382-L403 HydrophobicContact CZ2-CD1 3.66Å; A399-L403 WeakPolarHBondContact O-CG 3.25Å; A399-L403 PolarHBondContact O-N 2.78Å; A399-L403 VanDerWaalsContact O-N 3.09Å; I400-L403 PolarHBondContact O-N 3.17Å; I400-L403 VanDerWaalsContact O-N 3.09Å; L403-K405 PolarHBondContact O-N 2.72Å; L403-K405 VanDerWaalsContact O-N 3.12Å; L403-Y406 PolarHBondContact O-N 2.77Å; L403-W436 HydrophobicContact CB-CH2 3.75Å; L403-W436 HydrophobicContact CB-CZ2 4.44Å; L403-W436 HydrophobicContact CB-CZ3 4.36Å
404	L	83.6	Confident	88.2	Confident	34 Å²	34	50.2 Å²	50.2	18%	0.178	24%	0.239	C	C	.	.	H	α-helix	trans	-53.1	-28.2	173.3	172.7	66.2	0	0	0	113.3	I400 Y406 E432 W436	I400-L404 WeakPolarHBondContact O-CB 3.48Å; I400-L404 PolarHBondContact O-N 3.05Å; L404-Y406 PolarHBondContact O-N 3.1Å; L404-E432 HydrophobicContact CD2-CG 3.89Å; L404-W436 HydrophobicContact CB-CD2 4.35Å; L404-W436 HydrophobicContact CD1-CB 3.51Å; L404-W436 HydrophobicContact CD1-CD2 3.96Å; L404-W436 HydrophobicContact CD1-CG 3.31Å; L404-W436 HydrophobicContact CG-CG 4.49Å
405	K	81.6	Confident	88.2	Confident	112 Å²	112	54.5 Å²	54.5	49%	0.487	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.2	-180	-63.9	175.8	-174.2	-178.4	0	113.7	L402 L403 E586	L402-K405 PolarHBondContact O-N 2.89Å; L403-K405 PolarHBondContact O-N 2.72Å; L403-K405 VanDerWaalsContact O-N 3.12Å; K405-E586 IonicContact NZ-OE2 2.58Å
406	Y	89.6	Confident	88.6	Confident	100 Å²	100	55 Å²	55	39%	0.392	26%	0.262	S	S	.	.	S	Bend	trans	-98.3	160.6	180	-63.4	-85.5	0	0	0	111.3	V374 P378 L402 L403 L404	V374-Y406 HydrophobicContact CG1-CE2 4.24Å; P378-Y406 HydrophobicContact CB-CD1 4.11Å; P378-Y406 HydrophobicContact CB-CD2 3.78Å; P378-Y406 HydrophobicContact CB-CE1 4.45Å; P378-Y406 HydrophobicContact CB-CE2 4.14Å; P378-Y406 HydrophobicContact CB-CG 3.75Å; P378-Y406 HydrophobicContact CG-CD1 3.46Å; P378-Y406 VanDerWaalsContact CG-CD1 3.46Å; P378-Y406 HydrophobicContact CG-CD2 3.86Å; P378-Y406 HydrophobicContact CG-CE1 3.49Å; P378-Y406 VanDerWaalsContact CG-CE1 3.49Å; P378-Y406 HydrophobicContact CG-CE2 3.89Å; P378-Y406 HydrophobicContact CG-CG 3.64Å; L402-Y406 HydrophobicContact CD1-CE2 4.39Å; L402-Y406 WeakPolarHBondContact O-CD2 3.39Å; L403-Y406 PolarHBondContact O-N 2.77Å; L404-Y406 PolarHBondContact O-N 3.1Å
407	E	91.3	Very high	89.3	Confident	141 Å²	141	57.3 Å²	57.3	66%	0.659	28%	0.277	S	S	*	.			trans	-58.4	139.9	176.5	-64.8	-174.3	173.1	0	0	112.1	S409 W410	E407-S409 WeakPolarHBondContact CB-OG 3.34Å; E407-S409 PolarHBondContact O-N 3.11Å; E407-S409 PolarHBondContact OE2-OG 3Å; E407-W410 PolarHBondContact O-N 3.32Å
408	E	96.1	Very high	90.2	Very high	83 Å²	83	58.7 Å²	58.7	39%	0.388	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.9	177.7	-60.2	-176.3	174.6	0	0	113.3	W410 V411 K412 V440	E408-W410 PolarHBondContact O-N 2.86Å; E408-V411 WeakPolarHBondContact O-CA 3.21Å; E408-V411 WeakPolarHBondContact O-CB 3.12Å; E408-V411 PolarHBondContact O-N 2.84Å; E408-K412 HydrophobicContact CB-CD 4.21Å; E408-K412 WeakPolarHBondContact O-CB 3.42Å; E408-K412 PolarHBondContact O-N 2.89Å; E408-K412 WeakPolarHBondContact OE2-CE 3.24Å; E408-K412 IonicContact OE2-NZ 3.54Å; E408-K412 PolarHBondContact OE2-NZ 2.96Å; E408-V440 HydrophobicContact CB-CG1 4.02Å; E408-V440 HydrophobicContact CG-CG1 3.95Å; E408-V440 HydrophobicContact CG-CG2 4.22Å; E408-V440 WeakPolarHBondContact OE1-CG2 3.48Å
409	S	97.1	Very high	91.5	Very high	57 Å²	57	58 Å²	58	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-56.1	-30.6	174.6	62.7	0	0	0	0	112.5	E407 V411 K413	E407-S409 WeakPolarHBondContact CB-OG 3.34Å; E407-S409 PolarHBondContact O-N 3.11Å; E407-S409 PolarHBondContact OE2-OG 3Å; S409-V411 VanDerWaalsContact C-N 3.26Å; S409-V411 PolarHBondContact O-N 2.75Å; S409-K413 WeakPolarHBondContact O-CB 3.38Å; S409-K413 VanDerWaalsContact O-CG 3.27Å; S409-K413 WeakPolarHBondContact O-CG 3.25Å; S409-K413 PolarHBondContact O-N 2.89Å
410	W	97.5	Very high	92.5	Very high	79 Å²	79	61.4 Å²	61.4	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-27.4	174.3	-72.1	102	0	0	0	113.4	D377 P378 E407 E408 Y414	D377-W410 HydrophobicContact CB-CE3 4.21Å; D377-W410 HydrophobicContact CB-CH2 3.97Å; D377-W410 HydrophobicContact CB-CZ3 3.55Å; D377-W410 WeakPolarHBondContact OD1-CZ3 3.42Å; P378-W410 HydrophobicContact CB-CB 4.42Å; P378-W410 HydrophobicContact CB-CD2 4.39Å; P378-W410 HydrophobicContact CB-CG 4.2Å; E407-W410 PolarHBondContact O-N 3.32Å; E408-W410 PolarHBondContact O-N 2.86Å; W410-Y414 WeakPolarHBondContact O-CD2 3.28Å; W410-Y414 WeakPolarHBondContact O-CE2 3.44Å
411	V	97.7	Very high	93.1	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.018	30%	0.295	C	S	.	.	H	α-helix	trans	-87.6	-56.7	174.7	-166	0	0	0	0	109.4	W382 E408 S409 K413 Y414 R416 W436 V440 V441	W382-V411 HydrophobicContact CD2-CG1 4.06Å; W382-V411 HydrophobicContact CG-CB 4.42Å; W382-V411 HydrophobicContact CG-CG1 3.94Å; E408-V411 WeakPolarHBondContact O-CA 3.21Å; E408-V411 WeakPolarHBondContact O-CB 3.12Å; E408-V411 PolarHBondContact O-N 2.84Å; S409-V411 VanDerWaalsContact C-N 3.26Å; S409-V411 PolarHBondContact O-N 2.75Å; V411-K413 PolarHBondContact O-N 3.06Å; V411-K413 VanDerWaalsContact O-N 3.14Å; V411-Y414 PolarHBondContact O-N 3.4Å; V411-Y414 VanDerWaalsContact O-N 3.11Å; V411-R416 PolarHBondContact O-NH1 3.35Å; V411-W436 HydrophobicContact CG2-CH2 4.04Å; V411-W436 HydrophobicContact CG2-CZ2 3.59Å; V411-V440 HydrophobicContact CB-CG1 4.12Å; V411-V440 HydrophobicContact CG1-CG1 4.27Å; V411-V440 HydrophobicContact CG2-CG1 4.18Å; V411-V441 HydrophobicContact CG1-CG2 3.99Å
412	K	97.3	Very high	94	Very high	119 Å²	119	59.5 Å²	59.5	52%	0.517	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-19.4	-168.6	-74	-179.7	171	169.8	0	114.8	E408 Y414	E408-K412 HydrophobicContact CB-CD 4.21Å; E408-K412 WeakPolarHBondContact O-CB 3.42Å; E408-K412 PolarHBondContact O-N 2.89Å; E408-K412 WeakPolarHBondContact OE2-CE 3.24Å; E408-K412 IonicContact OE2-NZ 3.54Å; E408-K412 PolarHBondContact OE2-NZ 2.96Å; K412-Y414 PolarHBondContact O-N 3.29Å
413	K	97.3	Very high	95	Very high	107 Å²	107	56.5 Å²	56.5	47%	0.465	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.8	174.8	71.6	-174.4	-174.5	174.5	0	114.5	S409 V411	S409-K413 WeakPolarHBondContact O-CB 3.38Å; S409-K413 VanDerWaalsContact O-CG 3.27Å; S409-K413 WeakPolarHBondContact O-CG 3.25Å; S409-K413 PolarHBondContact O-N 2.89Å; V411-K413 PolarHBondContact O-N 3.06Å; V411-K413 VanDerWaalsContact O-N 3.14Å
414	Y	98.3	Very high	95.4	Very high	38 Å²	38	56.3 Å²	56.3	15%	0.149	27%	0.27	C	S	.	.	S	Bend	trans	-107.5	144.5	177.2	-58.4	-76.7	0	0	0	111.9	G379 W382 E383 Q386 W410 V411 K412 R416	G379-Y414 WeakPolarHBondContact O-CE2 3.42Å; W382-Y414 HydrophobicContact CB-CD2 3.64Å; W382-Y414 HydrophobicContact CB-CE2 4.36Å; W382-Y414 HydrophobicContact CB-CG 4.18Å; E383-Y414 HydrophobicContact CB-CD1 4.13Å; E383-Y414 HydrophobicContact CB-CE1 3.56Å; E383-Y414 HydrophobicContact CB-CE2 4.23Å; E383-Y414 HydrophobicContact CG-CE1 3.8Å; Q386-Y414 VanDerWaalsContact OE1-CA 3.32Å; W410-Y414 WeakPolarHBondContact O-CD2 3.28Å; W410-Y414 WeakPolarHBondContact O-CE2 3.44Å; V411-Y414 PolarHBondContact O-N 3.4Å; V411-Y414 VanDerWaalsContact O-N 3.11Å; K412-Y414 PolarHBondContact O-N 3.29Å; Y414-R416 PolarHBondContact O-N 2.69Å; Y414-R416 PolarHBondContact O-NH1 3.43Å
415	D	98.2	Very high	95.7	Very high	91 Å²	91	55.1 Å²	55.1	49%	0.487	26%	0.264	S	S	.	.			trans	-73.1	120.2	170.2	179.1	15	0	0	0	110.7	Q386 S417	Q386-D415 WeakPolarHBondContact CA-O 3.35Å; Q386-D415 VanDerWaalsContact CB-O 3.3Å; Q386-D415 WeakPolarHBondContact CB-O 3.5Å; Q386-D415 HydrophobicContact CG-CB 4.12Å; D415-S417 WeakPolarHBondContact OD1-CB 3.48Å; D415-S417 PolarHBondContact OD1-N 2.81Å; D415-S417 PolarHBondContact OD1-OG 2.8Å; D415-S417 PolarHBondContact OD2-OG 3.47Å
416	R	97.9	Very high	95.4	Very high	13 Å²	13	52.7 Å²	52.7	5%	0.049	27%	0.271	C	S	.	.			trans	-116.7	17.3	-179.5	-59.9	179.6	-56.8	-72.9	-4.3	111.8	V385 V411 Y414 S418 L419 V440 V441 D443 R445	V385-R416 HydrophobicContact CG1-CG 4.45Å; V411-R416 PolarHBondContact O-NH1 3.35Å; Y414-R416 PolarHBondContact O-N 2.69Å; Y414-R416 PolarHBondContact O-NH1 3.43Å; R416-S418 PolarHBondContact O-N 2.72Å; R416-L419 HydrophobicContact CB-CD1 3.99Å; R416-L419 WeakPolarHBondContact O-CB 3.45Å; R416-L419 PolarHBondContact O-N 2.85Å; R416-V440 PolarHBondContact NH2-O 3.07Å; R416-V441 WeakPolarHBondContact CD-O 3.47Å; R416-V441 PolarHBondContact NE-O 3.23Å; R416-D443 IonicContact CZ-OD1 2.64Å; R416-D443 IonicContact NH2-OD1 3.58Å; R416-D443 PolarHBondContact NH2-OD1 2.93Å; R416-D443 IonicContact NH2-OD2 3.06Å; R416-R445 PolarHBondContact O-NH2 3.44Å
417	S	98.2	Very high	94.7	Very high	77 Å²	77	49.6 Å²	49.6	54%	0.538	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-20.6	-176.6	61.9	0	0	0	0	113.5	D415 L419	D415-S417 WeakPolarHBondContact OD1-CB 3.48Å; D415-S417 PolarHBondContact OD1-N 2.81Å; D415-S417 PolarHBondContact OD1-OG 2.8Å; D415-S417 PolarHBondContact OD2-OG 3.47Å; S417-L419 VanDerWaalsContact C-N 3.28Å; S417-L419 PolarHBondContact O-N 3.28Å
418	S	98.5	Very high	94	Very high	29 Å²	29	45.8 Å²	45.8	20%	0.203	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24	175.5	64.6	0	0	0	0	113.6	I390 N391 R416 K420	I390-S418 CarbonylContact O-C 3.24Å; I390-S418 WeakPolarHBondContact O-CB 3.16Å; I390-S418 PolarHBondContact O-OG 3.12Å; N391-S418 WeakPolarHBondContact CA-O 3.37Å; N391-S418 PolarHBondContact ND2-O 3.32Å; R416-S418 PolarHBondContact O-N 2.72Å; S418-K420 PolarHBondContact O-N 3Å
419	L	98.7	Very high	93.2	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.026	23%	0.231	C	C	.	.			trans	-65.7	132.4	-178.9	-66.9	175.3	0	0	0	110.9	V385 I390 F393 R416 S417 L422 V441 C446	V385-L419 HydrophobicContact CG1-CD1 3.99Å; V385-L419 HydrophobicContact CG1-CD2 3.86Å; V385-L419 HydrophobicContact CG1-CG 3.7Å; V385-L419 HydrophobicContact CG2-CD2 4.22Å; I390-L419 HydrophobicContact CG2-CD2 4.12Å; I390-L419 WeakPolarHBondContact O-CD2 3.45Å; I390-L419 PolarHBondContact O-N 3.47Å; F393-L419 HydrophobicContact CB-CD2 3.89Å; R416-L419 HydrophobicContact CB-CD1 3.99Å; R416-L419 WeakPolarHBondContact O-CB 3.45Å; R416-L419 PolarHBondContact O-N 2.85Å; S417-L419 VanDerWaalsContact C-N 3.28Å; S417-L419 PolarHBondContact O-N 3.28Å; L419-L422 HydrophobicContact CD1-CD2 4.02Å; L419-V441 HydrophobicContact CD1-CG1 4.16Å; L419-C446 PolarHBondContact O-SG 2.93Å; L419-C446 VanDerWaalsContact O-SG 3.35Å
420	K	97.5	Very high	92.2	Very high	89 Å²	89	40 Å²	40	39%	0.387	22%	0.215	S	C	.	.			trans	-114	-40.3	176.3	-59.3	-179.8	-176.8	174.5	0	111.2	D338 N391 S418 P447	D338-K420 IonicContact OD1-NZ 3.4Å; D338-K420 PolarHBondContact OD1-NZ 3.13Å; D338-K420 IonicContact OD2-NZ 2.92Å; N391-K420 HydrophobicContact CB-CD 4.2Å; N391-K420 HydrophobicContact CB-CG 4.34Å; N391-K420 PolarHBondContact O-N 2.87Å; S418-K420 PolarHBondContact O-N 3Å; K420-P447 VanDerWaalsContact O-CD 3.24Å; K420-P447 WeakPolarHBondContact O-CD 3.35Å
421	T	97.8	Very high	91.5	Very high	5 Å²	5	41 Å²	41	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.7	-177.2	-50.3	0	0	0	0	110.4	F332 N391 Q392 F393 P447 V449	F332-T421 PolarHBondContact O-OG1 3.49Å; F332-T421 VanDerWaalsContact O-OG1 3.06Å; N391-T421 PolarHBondContact O-N 2.73Å; Q392-T421 WeakPolarHBondContact CA-O 3.44Å; F393-T421 PolarHBondContact N-O 2.93Å; T421-P447 HydrophobicContact CG2-CG 4.46Å; T421-V449 HydrophobicContact CG2-CG1 4.37Å; T421-V449 HydrophobicContact CG2-CG2 4.08Å
422	L	98.6	Very high	90.8	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	141.6	168.4	-62	177.8	0	0	0	108.8	F393 L419 F437 V441 C446 P447 L448 V449	F393-L422 HydrophobicContact CB-CD2 4.12Å; F393-L422 CarbonylContact O-C 3.31Å; F393-L422 WeakPolarHBondContact O-CA 3.42Å; L419-L422 HydrophobicContact CD1-CD2 4.02Å; L422-F437 HydrophobicContact CB-CE1 4.01Å; L422-F437 HydrophobicContact CB-CE2 4.25Å; L422-F437 HydrophobicContact CB-CZ 3.84Å; L422-F437 HydrophobicContact CD1-CD2 3.84Å; L422-F437 HydrophobicContact CD1-CE2 3.87Å; L422-F437 HydrophobicContact CD1-CG 4.21Å; L422-F437 HydrophobicContact CD1-CZ 4.29Å; L422-F437 WeakPolarHBondContact CD1-O 3.49Å; L422-F437 HydrophobicContact CD2-CD2 4.47Å; L422-F437 HydrophobicContact CD2-CE2 3.69Å; L422-F437 HydrophobicContact CD2-CZ 3.9Å; L422-F437 HydrophobicContact CG-CE2 4.15Å; L422-F437 HydrophobicContact CG-CZ 4.23Å; L422-V441 HydrophobicContact CD1-CB 4.47Å; L422-V441 HydrophobicContact CD2-CG1 4.21Å; L422-C446 HydrophobicContact CD1-CB 4.22Å; L422-C446 HydrophobicContact CG-CB 3.89Å; L422-P447 PolarHBondContact N-O 2.86Å; L422-L448 HydrophobicContact CB-CB 4.36Å; L422-L448 HydrophobicContact CB-CD1 3.7Å; L422-L448 CarbonylContact O-C 3.5Å; L422-L448 WeakPolarHBondContact O-CA 3.45Å; L422-V449 WeakPolarHBondContact O-CG2 3.5Å; L422-V449 PolarHBondContact O-N 2.92Å
423	G	97.8	Very high	90	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144	177.9	0	0	0	0	0	112.8	F393 G395 V449	F393-G423 PolarHBondContact O-N 3.39Å; G395-G423 PolarHBondContact N-O 3.05Å; G395-G423 VanDerWaalsContact N-O 3.14Å; G423-V449 WeakPolarHBondContact CA-O 3.32Å
424	S	92.3	Very high	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.1	174.3	172.7	0	0	0	0	110.9	G395 P397 V449 D450 T451	G395-S424 WeakPolarHBondContact O-CA 3.11Å; P397-S424 WeakPolarHBondContact CG-OG 3.4Å; S424-V449 PolarHBondContact N-O 2.82Å; S424-D450 PolarHBondContact OG-OD1 2.82Å; S424-T451 PolarHBondContact O-N 3.49Å; S424-T451 PolarHBondContact O-OG1 2.89Å
425	V	90.2	Very high	89.6	Confident	9 Å²	9	38.6 Å²	38.6	6%	0.055	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.1	-178.9	58.7	0	0	0	0	114.9	T350 Y394 G395 A396 P397 W453	T350-V425 HydrophobicContact CG2-CG1 4.02Å; T350-V425 HydrophobicContact CG2-CG2 4.46Å; Y394-V425 HydrophobicContact CD2-CB 4.43Å; Y394-V425 HydrophobicContact CD2-CG1 4.06Å; Y394-V425 HydrophobicContact CE1-CB 4.48Å; Y394-V425 HydrophobicContact CE1-CG1 4.16Å; Y394-V425 HydrophobicContact CE2-CB 3.43Å; Y394-V425 VanDerWaalsContact CE2-CB 3.43Å; Y394-V425 HydrophobicContact CE2-CG1 3.48Å; Y394-V425 VanDerWaalsContact CE2-CG1 3.48Å; Y394-V425 HydrophobicContact CE2-CG2 4.39Å; Y394-V425 VanDerWaalsContact CZ-CB 3.46Å; Y394-V425 VanDerWaalsContact OH-CB 3.25Å; Y394-V425 WeakPolarHBondContact OH-CB 3.38Å; Y394-V425 VanDerWaalsContact OH-CG2 3.28Å; Y394-V425 WeakPolarHBondContact OH-CG2 3.17Å; G395-V425 PolarHBondContact O-N 3.46Å; A396-V425 WeakPolarHBondContact CA-O 3.45Å; P397-V425 WeakPolarHBondContact CD-O 3.49Å; V425-W453 HydrophobicContact CG2-CZ2 4.16Å
426	G	75.6	Confident	89.5	Confident	62 Å²	62	35.1 Å²	35.1	64%	0.639	20%	0.196	S	C	*	.	S	Bend	trans	100.9	-22.8	160	0	0	0	0	0	113.9
427	E	74.4	Confident	89.5	Confident	35 Å²	35	34.5 Å²	34.5	16%	0.164	19%	0.193	C	C	.	.	S	Bend	trans	-148.1	160	176	-66.4	172.5	-137.4	0	0	108.8	P397 T398 R401 I429 K652	P397-E427 HydrophobicContact CG-CB 4.25Å; P397-E427 VanDerWaalsContact CG-O 3.32Å; P397-E427 WeakPolarHBondContact CG-O 3.49Å; T398-E427 PolarHBondContact OG1-OE1 3.09Å; T398-E427 PolarHBondContact OG1-OE2 2.87Å; R401-E427 IonicContact NH2-OE2 3.75Å; R401-E427 PolarHBondContact NH2-OE2 3.04Å; E427-I429 PolarHBondContact O-N 3.42Å; E427-K652 WeakPolarHBondContact OE1-CA 3.41Å; E427-K652 PolarHBondContact OE1-N 2.89Å
428	P	76.6	Confident	89.4	Confident	61 Å²	61	34.1 Å²	34.1	40%	0.396	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-55.5	134.5	165.4	-24.4	35.1	0	0	0	111.2	R401	R401-P428 PolarHBondContact NH1-O 3.16Å
429	I	78.9	Confident	89.4	Confident	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-90.2	126.5	168.9	-171	169.6	0	0	0	108.6	P397 E427 A433 W434 F437 L448 D450 A476	P397-I429 HydrophobicContact CB-CB 4.23Å; P397-I429 HydrophobicContact CB-CG1 4.34Å; P397-I429 HydrophobicContact CG-CB 4.02Å; E427-I429 PolarHBondContact O-N 3.42Å; I429-A433 HydrophobicContact CD1-CB 4.46Å; I429-A433 HydrophobicContact CG1-CB 4.04Å; I429-W434 HydrophobicContact CD1-CB 4.05Å; I429-W434 HydrophobicContact CG1-CB 4.16Å; I429-F437 HydrophobicContact CD1-CD1 4.47Å; I429-L448 HydrophobicContact CD1-CD2 4.47Å; I429-D450 HydrophobicContact CG2-CB 4.26Å; I429-A476 HydrophobicContact CG2-CB 4.5Å; I429-A476 VanDerWaalsContact O-CB 3.24Å; I429-A476 WeakPolarHBondContact O-CB 3.12Å
430	N	77.9	Confident	89.3	Confident	14 Å²	14	37 Å²	37	8%	0.075	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-77.7	161.3	176.7	68.4	-16.7	0	0	0	110.6	E432 A433 W434 D576	N430-E432 PolarHBondContact O-N 2.84Å; N430-A433 PolarHBondContact O-N 2.71Å; N430-A433 WeakPolarHBondContact OD1-CB 3.4Å; N430-A433 PolarHBondContact OD1-N 2.86Å; N430-W434 WeakPolarHBondContact O-CB 3.22Å; N430-W434 PolarHBondContact O-N 2.63Å; N430-D576 WeakPolarHBondContact CB-OD1 3.1Å
431	H	81.9	Confident	89.4	Confident	98 Å²	98	32.8 Å²	32.8	45%	0.454	18%	0.176	S	C	.	.	H	α-helix	trans	-56.6	-45.6	-174.7	-113.6	-95	0	0	0	113.1	A433 W434 E435	H431-A433 PolarHBondContact O-N 3.35Å; H431-W434 WeakPolarHBondContact O-CB 3.24Å; H431-W434 PolarHBondContact O-N 2.72Å; H431-E435 IonicContact ND1-OE1 3.52Å; H431-E435 WeakPolarHBondContact O-CB 3.13Å; H431-E435 WeakPolarHBondContact O-CG 3.24Å; H431-E435 PolarHBondContact O-N 2.73Å
432	E	81.9	Confident	89.3	Confident	108 Å²	108	32.5 Å²	32.5	51%	0.505	17%	0.174	S	C	.	.	H	α-helix	trans	-60.7	-47	-179.5	-170.6	-170.1	-165.6	0	0	111.9	L404 N430 W434 E435 W436	L404-E432 HydrophobicContact CD2-CG 3.89Å; N430-E432 PolarHBondContact O-N 2.84Å; E432-W434 VanDerWaalsContact C-N 3.33Å; E432-W434 PolarHBondContact O-N 3.22Å; E432-E435 PolarHBondContact O-N 2.98Å; E432-W436 WeakPolarHBondContact O-CB 3.42Å; E432-W436 PolarHBondContact O-N 3.49Å
433	A	81.9	Confident	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-35.3	177.6	0	0	0	0	0	111.9	I400 R401 I429 N430 H431 F437	I400-A433 HydrophobicContact CG2-CB 4.06Å; R401-A433 HydrophobicContact CG-CB 3.87Å; I429-A433 HydrophobicContact CD1-CB 4.46Å; I429-A433 HydrophobicContact CG1-CB 4.04Å; N430-A433 PolarHBondContact O-N 2.71Å; N430-A433 WeakPolarHBondContact OD1-CB 3.4Å; N430-A433 PolarHBondContact OD1-N 2.86Å; H431-A433 PolarHBondContact O-N 3.35Å; A433-F437 WeakPolarHBondContact O-CB 3.48Å; A433-F437 PolarHBondContact O-N 3.35Å
434	W	92.8	Very high	89.2	Confident	16 Å²	16	37.2 Å²	37.2	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-62.5	-49.9	174.7	-171.1	102.1	0	0	0	110.8	I429 N430 H431 E432 W436 F437 Y438 L448 I473 P475 A476	I429-W434 HydrophobicContact CD1-CB 4.05Å; I429-W434 HydrophobicContact CG1-CB 4.16Å; N430-W434 WeakPolarHBondContact O-CB 3.22Å; N430-W434 PolarHBondContact O-N 2.63Å; H431-W434 WeakPolarHBondContact O-CB 3.24Å; H431-W434 PolarHBondContact O-N 2.72Å; E432-W434 VanDerWaalsContact C-N 3.33Å; E432-W434 PolarHBondContact O-N 3.22Å; W434-W436 PolarHBondContact O-N 2.91Å; W434-F437 PolarHBondContact O-N 3.19Å; W434-Y438 AromaticContact CH2-CD1 3.98Å; W434-Y438 HydrophobicContact CH2-CD1 3.98Å; W434-Y438 HydrophobicContact CH2-CD2 4.02Å; W434-Y438 AromaticContact CH2-CG 3.71Å; W434-Y438 HydrophobicContact CH2-CG 3.71Å; W434-Y438 HydrophobicContact CZ2-CD2 4.48Å; W434-Y438 HydrophobicContact CZ2-CG 4.45Å; W434-Y438 AromaticContact CZ3-CD1 3.89Å; W434-Y438 HydrophobicContact CZ3-CD1 3.89Å; W434-Y438 AromaticContact CZ3-CG 3.81Å; W434-Y438 HydrophobicContact CZ3-CG 3.81Å; W434-Y438 WeakPolarHBondContact O-CB 3.4Å; W434-Y438 PolarHBondContact O-N 3.45Å; W434-L448 HydrophobicContact CB-CD2 4.46Å; W434-L448 VanDerWaalsContact CD1-CD2 3.45Å; W434-L448 HydrophobicContact CD2-CD2 3.89Å; W434-L448 HydrophobicContact CG-CD2 3.72Å; W434-L448 HydrophobicContact CZ2-CB 4.17Å; W434-L448 HydrophobicContact CZ2-CD2 4.43Å; W434-I473 HydrophobicContact CZ2-CG2 4.07Å; W434-P475 HydrophobicContact CD2-CB 3.7Å; W434-P475 HydrophobicContact CD2-CG 4.37Å; W434-P475 HydrophobicContact CE3-CB 3.61Å; W434-P475 HydrophobicContact CE3-CG 3.93Å; W434-P475 HydrophobicContact CG-CB 4.27Å; W434-P475 HydrophobicContact CH2-CB 4.29Å; W434-P475 HydrophobicContact CH2-CG 3.92Å; W434-P475 HydrophobicContact CZ2-CB 4.34Å; W434-P475 HydrophobicContact CZ2-CG 4.31Å; W434-P475 HydrophobicContact CZ3-CB 3.94Å; W434-P475 HydrophobicContact CZ3-CG 3.71Å; W434-A476 VanDerWaalsContact CD1-N 3.26Å
435	E	94.5	Very high	89.3	Confident	94 Å²	94	43 Å²	43	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-44.5	-179.5	-76.6	178.6	-171.3	0	0	111.5	H431 E432 N439	H431-E435 IonicContact ND1-OE1 3.52Å; H431-E435 WeakPolarHBondContact O-CB 3.13Å; H431-E435 WeakPolarHBondContact O-CG 3.24Å; H431-E435 PolarHBondContact O-N 2.73Å; E432-E435 PolarHBondContact O-N 2.98Å; E435-N439 WeakPolarHBondContact O-CB 3.43Å; E435-N439 VanDerWaalsContact O-CG 3.3Å; E435-N439 PolarHBondContact O-N 2.94Å; E435-N439 PolarHBondContact O-ND2 3.14Å
436	W	95.5	Very high	89.6	Confident	17 Å²	17	42.6 Å²	42.6	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-44	175.5	-179.8	90.6	0	0	0	112.1	W382 I400 L403 L404 V411 E432 W434 Y438 V440 V441	W382-W436 AromaticContact CZ2-CH2 3.82Å; W382-W436 HydrophobicContact CZ2-CH2 3.82Å; W382-W436 HydrophobicContact CZ2-CZ3 4.18Å; I400-W436 HydrophobicContact CG2-CE3 3.78Å; I400-W436 HydrophobicContact CG2-CZ3 3.88Å; L403-W436 HydrophobicContact CB-CH2 3.75Å; L403-W436 HydrophobicContact CB-CZ2 4.44Å; L403-W436 HydrophobicContact CB-CZ3 4.36Å; L404-W436 HydrophobicContact CB-CD2 4.35Å; L404-W436 HydrophobicContact CD1-CB 3.51Å; L404-W436 HydrophobicContact CD1-CD2 3.96Å; L404-W436 HydrophobicContact CD1-CG 3.31Å; L404-W436 HydrophobicContact CG-CG 4.49Å; V411-W436 HydrophobicContact CG2-CH2 4.04Å; V411-W436 HydrophobicContact CG2-CZ2 3.59Å; E432-W436 WeakPolarHBondContact O-CB 3.42Å; E432-W436 PolarHBondContact O-N 3.49Å; W434-W436 PolarHBondContact O-N 2.91Å; W436-Y438 PolarHBondContact O-N 3.24Å; W436-V440 HydrophobicContact CD2-CB 4.39Å; W436-V440 HydrophobicContact CG-CB 4.25Å; W436-V440 HydrophobicContact CG-CG2 4.06Å; W436-V440 WeakPolarHBondContact O-CA 3.46Å; W436-V440 WeakPolarHBondContact O-CB 3.4Å; W436-V440 PolarHBondContact O-N 2.9Å; W436-V441 HydrophobicContact CE3-CG2 4.12Å; W436-V441 HydrophobicContact CH2-CG2 3.84Å; W436-V441 HydrophobicContact CZ2-CG2 4.49Å; W436-V441 HydrophobicContact CZ3-CG2 3.62Å; W436-V441 PolarHBondContact O-N 2.74Å
437	F	96.9	Very high	90.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	I	π-helix	trans	-66.3	-41.1	-178.5	-166.9	-158.3	0	0	0	111.2	W382 F393 I400 L422 I429 A433 W434 V441 G442 L448	W382-F437 HydrophobicContact CH2-CE2 4.28Å; F393-F437 HydrophobicContact CD1-CE2 4.13Å; F393-F437 AromaticContact CD1-CZ 3.77Å; F393-F437 HydrophobicContact CD1-CZ 3.77Å; F393-F437 HydrophobicContact CE1-CE2 4.41Å; F393-F437 HydrophobicContact CE1-CZ 4.12Å; I400-F437 HydrophobicContact CD1-CD1 4.27Å; I400-F437 HydrophobicContact CD1-CD2 4.04Å; I400-F437 HydrophobicContact CD1-CE1 4.1Å; I400-F437 HydrophobicContact CD1-CE2 3.87Å; I400-F437 HydrophobicContact CD1-CG 4.27Å; I400-F437 HydrophobicContact CD1-CZ 3.91Å; I400-F437 HydrophobicContact CG1-CD1 4.2Å; I400-F437 HydrophobicContact CG1-CE1 4.26Å; I400-F437 HydrophobicContact CG1-CG 4.46Å; I400-F437 HydrophobicContact CG2-CB 3.98Å; I400-F437 HydrophobicContact CG2-CG 4.21Å; L422-F437 HydrophobicContact CB-CE1 4.01Å; L422-F437 HydrophobicContact CB-CE2 4.25Å; L422-F437 HydrophobicContact CB-CZ 3.84Å; L422-F437 HydrophobicContact CD1-CD2 3.84Å; L422-F437 HydrophobicContact CD1-CE2 3.87Å; L422-F437 HydrophobicContact CD1-CG 4.21Å; L422-F437 HydrophobicContact CD1-CZ 4.29Å; L422-F437 WeakPolarHBondContact CD1-O 3.49Å; L422-F437 HydrophobicContact CD2-CD2 4.47Å; L422-F437 HydrophobicContact CD2-CE2 3.69Å; L422-F437 HydrophobicContact CD2-CZ 3.9Å; L422-F437 HydrophobicContact CG-CE2 4.15Å; L422-F437 HydrophobicContact CG-CZ 4.23Å; I429-F437 HydrophobicContact CD1-CD1 4.47Å; A433-F437 WeakPolarHBondContact O-CB 3.48Å; A433-F437 PolarHBondContact O-N 3.35Å; W434-F437 PolarHBondContact O-N 3.19Å; F437-V441 HydrophobicContact CD2-CB 3.76Å; F437-V441 HydrophobicContact CD2-CG1 4.1Å; F437-V441 HydrophobicContact CD2-CG2 3.8Å; F437-V441 HydrophobicContact CE2-CB 4.19Å; F437-V441 HydrophobicContact CE2-CG1 4Å; F437-V441 HydrophobicContact CE2-CG2 4.38Å; F437-V441 WeakPolarHBondContact O-CB 3.35Å; F437-V441 PolarHBondContact O-N 3.47Å; F437-G442 PolarHBondContact O-N 2.72Å; F437-L448 HydrophobicContact CB-CD2 4.03Å; F437-L448 HydrophobicContact CD1-CD1 3.44Å; F437-L448 VanDerWaalsContact CD1-CD1 3.44Å; F437-L448 HydrophobicContact CD1-CD2 3.74Å; F437-L448 HydrophobicContact CD1-CG 4.28Å; F437-L448 HydrophobicContact CE1-CD1 3.52Å; F437-L448 HydrophobicContact CG-CD1 4.43Å; F437-L448 HydrophobicContact CG-CD2 4.2Å
438	Y	97.9	Very high	91.7	Very high	70 Å²	70	39.9 Å²	39.9	28%	0.275	20%	0.2	S	C	.	.	I	π-helix	trans	-68	-51.1	175.2	-179.2	-106.5	0	0	0	112.7	W434 W436 G442 D443 G444 C446 L448	W434-Y438 AromaticContact CH2-CD1 3.98Å; W434-Y438 HydrophobicContact CH2-CD1 3.98Å; W434-Y438 HydrophobicContact CH2-CD2 4.02Å; W434-Y438 AromaticContact CH2-CG 3.71Å; W434-Y438 HydrophobicContact CH2-CG 3.71Å; W434-Y438 HydrophobicContact CZ2-CD2 4.48Å; W434-Y438 HydrophobicContact CZ2-CG 4.45Å; W434-Y438 AromaticContact CZ3-CD1 3.89Å; W434-Y438 HydrophobicContact CZ3-CD1 3.89Å; W434-Y438 AromaticContact CZ3-CG 3.81Å; W434-Y438 HydrophobicContact CZ3-CG 3.81Å; W434-Y438 WeakPolarHBondContact O-CB 3.4Å; W434-Y438 PolarHBondContact O-N 3.45Å; W436-Y438 PolarHBondContact O-N 3.24Å; Y438-G442 CarbonylContact O-C 3.43Å; Y438-G442 VanDerWaalsContact O-CA 3.3Å; Y438-G442 WeakPolarHBondContact O-CA 3.29Å; Y438-G442 PolarHBondContact O-N 2.85Å; Y438-D443 PolarHBondContact O-N 2.92Å; Y438-G444 PolarHBondContact O-N 2.93Å; Y438-G444 PolarHBondContact OH-O 3.02Å; Y438-C446 WeakPolarHBondContact CD2-O 3.47Å; Y438-C446 VanDerWaalsContact CE2-O 3.32Å; Y438-C446 WeakPolarHBondContact CE2-O 3.42Å; Y438-L448 HydrophobicContact CD2-CB 4.42Å
439	N	97.7	Very high	92.7	Very high	87 Å²	87	37 Å²	37	47%	0.465	18%	0.181	S	C	.	.	I	π-helix	trans	-82.4	-39.6	-171.4	-66.3	-44.4	0	0	0	113.7	E435 D443	E435-N439 WeakPolarHBondContact O-CB 3.43Å; E435-N439 VanDerWaalsContact O-CG 3.3Å; E435-N439 PolarHBondContact O-N 2.94Å; E435-N439 PolarHBondContact O-ND2 3.14Å; N439-D443 VanDerWaalsContact O-CA 3.28Å; N439-D443 WeakPolarHBondContact O-CA 2.93Å; N439-D443 PolarHBondContact O-N 3.19Å
440	V	97.5	Very high	93.5	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.042	18%	0.183	C	C	.	.	I	π-helix	trans	-91.2	-45.9	-174.5	-177.2	0	0	0	0	111.4	E408 V411 R416 W436	E408-V440 HydrophobicContact CB-CG1 4.02Å; E408-V440 HydrophobicContact CG-CG1 3.95Å; E408-V440 HydrophobicContact CG-CG2 4.22Å; E408-V440 WeakPolarHBondContact OE1-CG2 3.48Å; V411-V440 HydrophobicContact CB-CG1 4.12Å; V411-V440 HydrophobicContact CG1-CG1 4.27Å; V411-V440 HydrophobicContact CG2-CG1 4.18Å; R416-V440 PolarHBondContact NH2-O 3.07Å; W436-V440 HydrophobicContact CD2-CB 4.39Å; W436-V440 HydrophobicContact CG-CB 4.25Å; W436-V440 HydrophobicContact CG-CG2 4.06Å; W436-V440 WeakPolarHBondContact O-CA 3.46Å; W436-V440 WeakPolarHBondContact O-CB 3.4Å; W436-V440 PolarHBondContact O-N 2.9Å
441	V	97.9	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-82.6	-48.6	-179.7	-177.2	0	0	0	0	110.6	W382 V411 R416 L419 L422 W436 F437 D443	W382-V441 HydrophobicContact CE3-CG1 3.8Å; W382-V441 HydrophobicContact CH2-CB 4.31Å; W382-V441 HydrophobicContact CH2-CG1 3.7Å; W382-V441 HydrophobicContact CH2-CG2 3.62Å; W382-V441 HydrophobicContact CZ2-CG1 4.46Å; W382-V441 HydrophobicContact CZ2-CG2 3.73Å; W382-V441 HydrophobicContact CZ3-CB 4.38Å; W382-V441 HydrophobicContact CZ3-CG1 3.33Å; W382-V441 HydrophobicContact CZ3-CG2 4.11Å; V411-V441 HydrophobicContact CG1-CG2 3.99Å; R416-V441 WeakPolarHBondContact CD-O 3.47Å; R416-V441 PolarHBondContact NE-O 3.23Å; L419-V441 HydrophobicContact CD1-CG1 4.16Å; L422-V441 HydrophobicContact CD1-CB 4.47Å; L422-V441 HydrophobicContact CD2-CG1 4.21Å; W436-V441 HydrophobicContact CE3-CG2 4.12Å; W436-V441 HydrophobicContact CH2-CG2 3.84Å; W436-V441 HydrophobicContact CZ2-CG2 4.49Å; W436-V441 HydrophobicContact CZ3-CG2 3.62Å; W436-V441 PolarHBondContact O-N 2.74Å; F437-V441 HydrophobicContact CD2-CB 3.76Å; F437-V441 HydrophobicContact CD2-CG1 4.1Å; F437-V441 HydrophobicContact CD2-CG2 3.8Å; F437-V441 HydrophobicContact CE2-CB 4.19Å; F437-V441 HydrophobicContact CE2-CG1 4Å; F437-V441 HydrophobicContact CE2-CG2 4.38Å; F437-V441 WeakPolarHBondContact O-CB 3.35Å; F437-V441 PolarHBondContact O-N 3.47Å; V441-D443 VanDerWaalsContact C-N 3.34Å
442	G	97.4	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-81.8	-7.3	-178	0	0	0	0	0	115.3	F437 Y438 G444 R445 C446	F437-G442 PolarHBondContact O-N 2.72Å; Y438-G442 CarbonylContact O-C 3.43Å; Y438-G442 VanDerWaalsContact O-CA 3.3Å; Y438-G442 WeakPolarHBondContact O-CA 3.29Å; Y438-G442 PolarHBondContact O-N 2.85Å; G442-G444 PolarHBondContact O-N 2.92Å; G442-G444 VanDerWaalsContact O-N 3.16Å; G442-R445 WeakPolarHBondContact O-CB 3.19Å; G442-R445 PolarHBondContact O-N 2.99Å; G442-C446 PolarHBondContact O-N 3.23Å
443	D	96.6	Very high	95.9	Very high	70 Å²	70	29.4 Å²	29.4	37%	0.374	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	29	-170.5	-51.9	-43.6	0	0	0	113.6	R416 Y438 N439 V441 R445	R416-D443 IonicContact CZ-OD1 2.64Å; R416-D443 IonicContact NH2-OD1 3.58Å; R416-D443 PolarHBondContact NH2-OD1 2.93Å; R416-D443 IonicContact NH2-OD2 3.06Å; Y438-D443 PolarHBondContact O-N 2.92Å; N439-D443 VanDerWaalsContact O-CA 3.28Å; N439-D443 WeakPolarHBondContact O-CA 2.93Å; N439-D443 PolarHBondContact O-N 3.19Å; V441-D443 VanDerWaalsContact C-N 3.34Å; D443-R445 HydrophobicContact CB-CG 4.36Å; D443-R445 PolarHBondContact O-N 3.31Å; D443-R445 VanDerWaalsContact O-N 3.13Å; D443-R445 IonicContact OD2-CZ 3.44Å; D443-R445 IonicContact OD2-NE 2.79Å; D443-R445 IonicContact OD2-NH2 3.19Å; D443-R445 PolarHBondContact OD2-NH2 3.14Å
444	G	95.9	Very high	96.5	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	10.2	-172.8	0	0	0	0	0	114.7	Y438 G442	Y438-G444 PolarHBondContact O-N 2.93Å; Y438-G444 PolarHBondContact OH-O 3.02Å; G442-G444 PolarHBondContact O-N 2.92Å; G442-G444 VanDerWaalsContact O-N 3.16Å
445	R	95.4	Very high	96.4	Very high	121 Å²	121	30.8 Å²	30.8	46%	0.457	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-34.2	-178.8	-60.5	177.1	-69.5	95.6	1.8	112.7	R416 G442 D443	R416-R445 PolarHBondContact O-NH2 3.44Å; G442-R445 WeakPolarHBondContact O-CB 3.19Å; G442-R445 PolarHBondContact O-N 2.99Å; D443-R445 HydrophobicContact CB-CG 4.36Å; D443-R445 PolarHBondContact O-N 3.31Å; D443-R445 VanDerWaalsContact O-N 3.13Å; D443-R445 IonicContact OD2-CZ 3.44Å; D443-R445 IonicContact OD2-NE 2.79Å; D443-R445 IonicContact OD2-NH2 3.19Å; D443-R445 PolarHBondContact OD2-NH2 3.14Å
446	C	96.6	Very high	96.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.137	C	C	.	.	S	Bend	trans	-90.4	124.6	-173.1	-56.5	0	0	0	0	110.2	L419 L422 Y438 G442 L448	L419-C446 PolarHBondContact O-SG 2.93Å; L419-C446 VanDerWaalsContact O-SG 3.35Å; L422-C446 HydrophobicContact CD1-CB 4.22Å; L422-C446 HydrophobicContact CG-CB 3.89Å; Y438-C446 WeakPolarHBondContact CD2-O 3.47Å; Y438-C446 VanDerWaalsContact CE2-O 3.32Å; Y438-C446 WeakPolarHBondContact CE2-O 3.42Å; G442-C446 PolarHBondContact O-N 3.23Å; C446-L448 PolarHBondContact O-N 2.82Å
447	P	96.2	Very high	96.7	Very high	40 Å²	40	26.7 Å²	26.7	26%	0.26	13%	0.134	S	C	.	.			trans	-53.4	133.2	164	21.8	-35.5	0	0	0	111	K420 T421 L422 I473	K420-P447 VanDerWaalsContact O-CD 3.24Å; K420-P447 WeakPolarHBondContact O-CD 3.35Å; T421-P447 HydrophobicContact CG2-CG 4.46Å; L422-P447 PolarHBondContact N-O 2.86Å; P447-I473 HydrophobicContact CB-CD1 3.64Å
448	L	97.6	Very high	96.8	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.2	173.2	175.4	51.4	0	0	0	109.6	L422 I429 W434 F437 Y438 C446 I473	L422-L448 HydrophobicContact CB-CB 4.36Å; L422-L448 HydrophobicContact CB-CD1 3.7Å; L422-L448 CarbonylContact O-C 3.5Å; L422-L448 WeakPolarHBondContact O-CA 3.45Å; I429-L448 HydrophobicContact CD1-CD2 4.47Å; W434-L448 HydrophobicContact CB-CD2 4.46Å; W434-L448 VanDerWaalsContact CD1-CD2 3.45Å; W434-L448 HydrophobicContact CD2-CD2 3.89Å; W434-L448 HydrophobicContact CG-CD2 3.72Å; W434-L448 HydrophobicContact CZ2-CB 4.17Å; W434-L448 HydrophobicContact CZ2-CD2 4.43Å; F437-L448 HydrophobicContact CB-CD2 4.03Å; F437-L448 HydrophobicContact CD1-CD1 3.44Å; F437-L448 VanDerWaalsContact CD1-CD1 3.44Å; F437-L448 HydrophobicContact CD1-CD2 3.74Å; F437-L448 HydrophobicContact CD1-CG 4.28Å; F437-L448 HydrophobicContact CE1-CD1 3.52Å; F437-L448 HydrophobicContact CG-CD1 4.43Å; F437-L448 HydrophobicContact CG-CD2 4.2Å; Y438-L448 HydrophobicContact CD2-CB 4.42Å; C446-L448 PolarHBondContact O-N 2.82Å; L448-I473 WeakPolarHBondContact O-CG2 3.28Å
449	V	97.1	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.4	179	-62.5	0	0	0	0	110.5	V331 F332 T421 L422 G423 S424 T451 R465	V331-V449 HydrophobicContact CG1-CB 4.34Å; V331-V449 HydrophobicContact CG1-CG2 4.1Å; F332-V449 HydrophobicContact CD1-CG2 4.23Å; F332-V449 HydrophobicContact CE1-CG2 4.16Å; T421-V449 HydrophobicContact CG2-CG1 4.37Å; T421-V449 HydrophobicContact CG2-CG2 4.08Å; L422-V449 WeakPolarHBondContact O-CG2 3.5Å; L422-V449 PolarHBondContact O-N 2.92Å; G423-V449 WeakPolarHBondContact CA-O 3.32Å; S424-V449 PolarHBondContact N-O 2.82Å; V449-T451 HydrophobicContact CB-CG2 4.41Å; V449-T451 HydrophobicContact CG2-CG2 4.16Å; V449-R465 HydrophobicContact CG1-CB 3.85Å; V449-R465 HydrophobicContact CG1-CG 3.54Å
450	D	95.3	Very high	96.8	Very high	14 Å²	14	19.2 Å²	19.2	8%	0.075	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	117.5	168.5	-172.7	30.1	0	0	0	109.7	S424 I429 A463 P464	S424-D450 PolarHBondContact OG-OD1 2.82Å; I429-D450 HydrophobicContact CG2-CB 4.26Å; D450-A463 WeakPolarHBondContact O-CA 3.37Å; D450-P464 WeakPolarHBondContact O-CD 3.37Å
451	T	97.7	Very high	96.9	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.025	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.7	-169.5	65.3	0	0	0	0	111.1	V331 F332 Y394 S424 V449 V460 A463	V331-T451 HydrophobicContact CG1-CG2 3.84Å; F332-T451 HydrophobicContact CZ-CG2 4.4Å; Y394-T451 HydrophobicContact CE2-CG2 4.34Å; Y394-T451 PolarHBondContact OH-OG1 3.36Å; S424-T451 PolarHBondContact O-N 3.49Å; S424-T451 PolarHBondContact O-OG1 2.89Å; V449-T451 HydrophobicContact CB-CG2 4.41Å; V449-T451 HydrophobicContact CG2-CG2 4.16Å; T451-V460 HydrophobicContact CG2-CG1 4.17Å; T451-V460 HydrophobicContact CG2-CG2 4.02Å; T451-A463 HydrophobicContact CG2-CB 4.13Å
452	W	97.6	Very high	96.9	Very high	23 Å²	23	18.9 Å²	18.9	9%	0.087	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-97.9	129	171.8	176.8	84.3	0	0	0	111.5	Q454 C461 I462 A478 L506 I508 T540 D542 I554	W452-Q454 HydrophobicContact CZ2-CG 4.22Å; W452-C461 HydrophobicContact CE3-CB 3.76Å; W452-C461 HydrophobicContact CZ3-CB 3.53Å; W452-C461 PolarHBondContact O-N 3.18Å; W452-I462 HydrophobicContact CB-CB 4.4Å; W452-I462 HydrophobicContact CE3-CB 4.06Å; W452-I462 HydrophobicContact CE3-CD1 3.68Å; W452-I462 HydrophobicContact CE3-CG1 3.71Å; W452-I462 HydrophobicContact CZ3-CD1 3.96Å; W452-I462 HydrophobicContact CZ3-CG1 4.12Å; W452-I462 PolarHBondContact N-O 2.79Å; W452-I462 PolarHBondContact O-N 3.14Å; W452-I462 VanDerWaalsContact O-N 3.11Å; W452-A478 HydrophobicContact CB-CB 4.04Å; W452-L506 HydrophobicContact CD2-CD2 4.37Å; W452-L506 HydrophobicContact CE3-CD2 4.33Å; W452-L506 HydrophobicContact CH2-CD2 3.64Å; W452-L506 HydrophobicContact CZ2-CD2 3.64Å; W452-L506 HydrophobicContact CZ3-CD2 3.98Å; W452-I508 HydrophobicContact CH2-CD1 4.49Å; W452-T540 HydrophobicContact CH2-CG2 3.5Å; W452-T540 HydrophobicContact CZ2-CG2 3.87Å; W452-D542 HydrophobicContact CZ2-CB 4.49Å; W452-D542 WeakPolarHBondContact CZ2-OD2 3.36Å; W452-D542 PolarHBondContact NE1-OD2 3.14Å; W452-D542 VanDerWaalsContact NE1-OD2 3.12Å; W452-I554 HydrophobicContact CB-CD1 4.16Å; W452-I554 HydrophobicContact CB-CG1 3.8Å; W452-I554 VanDerWaalsContact CD1-CG1 3.45Å; W452-I554 HydrophobicContact CD2-CD1 3.77Å; W452-I554 HydrophobicContact CD2-CG1 4.27Å; W452-I554 HydrophobicContact CE3-CD1 4.46Å; W452-I554 HydrophobicContact CG-CD1 3.58Å; W452-I554 HydrophobicContact CG-CG1 3.53Å
453	W	97.4	Very high	96.9	Very high	24 Å²	24	19 Å²	19	9%	0.091	10%	0.098	C	C	.	.			trans	-175.2	176.3	176.5	60.6	-59	0	0	0	110.9	V349 T350 Y354 Y394 V425 T457 G459 V460	V349-W453 HydrophobicContact CB-CH2 4.31Å; V349-W453 HydrophobicContact CB-CZ3 4.3Å; V349-W453 HydrophobicContact CG1-CE3 4.45Å; V349-W453 HydrophobicContact CG1-CH2 3.72Å; V349-W453 HydrophobicContact CG1-CZ2 4.34Å; V349-W453 HydrophobicContact CG1-CZ3 3.8Å; V349-W453 HydrophobicContact CG2-CH2 4.04Å; V349-W453 HydrophobicContact CG2-CZ3 3.67Å; T350-W453 HydrophobicContact CG2-CZ2 4.23Å; Y354-W453 AromaticContact CD2-CH2 3.64Å; Y354-W453 HydrophobicContact CD2-CH2 3.64Å; Y354-W453 AromaticContact CD2-CZ2 3.52Å; Y354-W453 HydrophobicContact CD2-CZ2 3.52Å; Y354-W453 HydrophobicContact CE2-CD2 4.31Å; Y354-W453 AromaticContact CE2-CE2 3.72Å; Y354-W453 HydrophobicContact CE2-CE3 4.38Å; Y354-W453 AromaticContact CE2-CH2 3.31Å; Y354-W453 HydrophobicContact CE2-CH2 3.31Å; Y354-W453 AromaticContact CE2-CZ2 3.24Å; Y354-W453 HydrophobicContact CE2-CZ2 3.24Å; Y354-W453 AromaticContact CE2-CZ3 3.9Å; Y354-W453 HydrophobicContact CE2-CZ3 3.9Å; Y394-W453 PolarHBondContact OH-NE1 3.26Å; V425-W453 HydrophobicContact CG2-CZ2 4.16Å; W453-T457 WeakPolarHBondContact CB-OG1 3.48Å; W453-G459 WeakPolarHBondContact CB-O 3.39Å; W453-V460 HydrophobicContact CG-CG2 4.49Å
454	Q	94.4	Very high	97	Very high	23 Å²	23	15.7 Å²	15.7	11%	0.107	8%	0.08	C	C	.	.			trans	-139.5	166.6	-174.3	-44.6	176.1	-55.6	0	0	111.4	W452 E456 T457 Y538 T540 D542	W452-Q454 HydrophobicContact CZ2-CG 4.22Å; Q454-E456 PolarHBondContact O-N 2.93Å; Q454-T457 HydrophobicContact CB-CG2 3.97Å; Q454-T457 HydrophobicContact CG-CG2 4.19Å; Q454-T457 PolarHBondContact N-OG1 2.89Å; Q454-T457 PolarHBondContact O-N 3.45Å; Q454-T457 PolarHBondContact O-OG1 2.74Å; Q454-Y538 PolarHBondContact OE1-OH 3.21Å; Q454-T540 PolarHBondContact NE2-O 3.44Å; Q454-D542 PolarHBondContact NE2-OD2 2.82Å
455	T	91.7	Very high	96.9	Very high	23 Å²	23	16.3 Å²	16.3	14%	0.141	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-53.4	-41.5	173.5	-62.3	0	0	0	0	111.9	L301 T303 I313 H315 V349 T457 G458	L301-T455 HydrophobicContact CB-CG2 4.26Å; L301-T455 HydrophobicContact CD2-CG2 3.86Å; L301-T455 HydrophobicContact CG-CG2 4.25Å; T303-T455 HydrophobicContact CG2-CG2 3.55Å; I313-T455 HydrophobicContact CB-CG2 4.14Å; I313-T455 HydrophobicContact CG1-CG2 4.18Å; I313-T455 HydrophobicContact CG2-CG2 4.22Å; H315-T455 PolarHBondContact NE2-O 3.21Å; V349-T455 HydrophobicContact CB-CG2 4.34Å; T455-T457 PolarHBondContact O-N 2.81Å; T455-G458 PolarHBondContact O-N 3.25Å
456	E	97.2	Very high	96.8	Very high	24 Å²	24	10.7 Å²	10.7	11%	0.112	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-70.4	-16.7	-179.5	-64.1	89.9	159.8	0	0	113.4	I313 Q454 M515 A516 Y530 Y538	I313-E456 HydrophobicContact CD1-CG 3.97Å; I313-E456 HydrophobicContact CG1-CG 4.31Å; I313-E456 HydrophobicContact CG2-CG 4.33Å; Q454-E456 PolarHBondContact O-N 2.93Å; E456-M515 CarbonylContact O-C 2.78Å; E456-A516 HydrophobicContact CB-CB 4.4Å; E456-A516 WeakPolarHBondContact O-CB 3.41Å; E456-A516 PolarHBondContact O-N 3.27Å; E456-Y530 HydrophobicContact CG-CE1 3.78Å; E456-Y530 HydrophobicContact CG-CE2 4.42Å; E456-Y530 PolarHBondContact OE1-OH 3.07Å; E456-Y538 VanDerWaalsContact CB-OH 3.24Å; E456-Y538 WeakPolarHBondContact CB-OH 3.08Å
457	T	98.4	Very high	96.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-92.6	-16.2	-178.6	66.1	0	0	0	0	114	W453 Q454 T455 G459 C461 W512 G514 Y538	W453-T457 WeakPolarHBondContact CB-OG1 3.48Å; Q454-T457 HydrophobicContact CB-CG2 3.97Å; Q454-T457 HydrophobicContact CG-CG2 4.19Å; Q454-T457 PolarHBondContact N-OG1 2.89Å; Q454-T457 PolarHBondContact O-N 3.45Å; Q454-T457 PolarHBondContact O-OG1 2.74Å; T455-T457 PolarHBondContact O-N 2.81Å; T457-G459 PolarHBondContact O-N 2.93Å; T457-G459 PolarHBondContact OG1-O 2.93Å; T457-C461 VanDerWaalsContact CB-SG 3.57Å; T457-W512 HydrophobicContact CG2-CH2 4.5Å; T457-W512 HydrophobicContact CG2-CZ2 3.87Å; T457-W512 PolarHBondContact O-NE1 3.35Å; T457-W512 VanDerWaalsContact O-NE1 3.08Å; T457-G514 CarbonylContact C-O 3.5Å; T457-G514 CarbonylContact O-C 3.54Å; T457-G514 VanDerWaalsContact O-O 3.05Å; T457-Y538 HydrophobicContact CG2-CE1 4.43Å
458	G	98.2	Very high	96.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.			trans	73	-27.5	178.6	0	0	0	0	0	115.9	S353 T455 G514	S353-G458 PolarHBondContact OG-O 2.66Å; T455-G458 PolarHBondContact O-N 3.25Å; G458-G514 WeakPolarHBondContact CA-O 3.2Å; G458-G514 PolarHBondContact N-O 3.5Å
459	G	98.4	Very high	95.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-158.6	-178.4	178.6	0	0	0	0	0	112.5	Y354 W453 T457 C461	Y354-G459 WeakPolarHBondContact OH-CA 3.39Å; W453-G459 WeakPolarHBondContact CB-O 3.39Å; T457-G459 PolarHBondContact O-N 2.93Å; T457-G459 PolarHBondContact OG1-O 2.93Å; G459-C461 PolarHBondContact O-N 3.44Å
460	V	98.7	Very high	94.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.			trans	-60.2	132	-175.7	177.2	0	0	0	0	109.4	Y323 T327 V331 Y354 T451 W453 A463	Y323-V460 PolarHBondContact OH-O 3.41Å; T327-V460 HydrophobicContact CG2-CB 4.23Å; T327-V460 WeakPolarHBondContact CG2-O 3.14Å; V331-V460 HydrophobicContact CG1-CG1 4.41Å; V331-V460 HydrophobicContact CG2-CB 4.13Å; V331-V460 HydrophobicContact CG2-CG1 4.05Å; V331-V460 HydrophobicContact CG2-CG2 4.48Å; Y354-V460 HydrophobicContact CE2-CG2 4.02Å; Y354-V460 VanDerWaalsContact OH-CG2 3.29Å; Y354-V460 WeakPolarHBondContact OH-CG2 3.46Å; Y354-V460 PolarHBondContact OH-N 2.95Å; T451-V460 HydrophobicContact CG2-CG1 4.17Å; T451-V460 HydrophobicContact CG2-CG2 4.02Å; W453-V460 HydrophobicContact CG-CG2 4.49Å; V460-A463 HydrophobicContact CG1-CB 3.7Å
461	C	98.6	Very high	94.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.			trans	-108.2	-38.2	179.2	-76.3	0	0	0	0	112.9	W452 T457 G459 P481 F482 I485	W452-C461 HydrophobicContact CE3-CB 3.76Å; W452-C461 HydrophobicContact CZ3-CB 3.53Å; W452-C461 PolarHBondContact O-N 3.18Å; T457-C461 VanDerWaalsContact CB-SG 3.57Å; G459-C461 PolarHBondContact O-N 3.44Å; C461-P481 CarbonylContact O-C 3.5Å; C461-P481 WeakPolarHBondContact O-CA 3.31Å; C461-F482 PolarHBondContact O-N 2.83Å; C461-I485 HydrophobicContact CB-CD1 4.45Å; C461-I485 HydrophobicContact CB-CG1 4.23Å; C461-I485 HydrophobicContact CB-CG2 4.23Å
462	I	98.6	Very high	94.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.7	179.1	-55.3	175.2	0	0	0	107.7	W452 A478 R480 P487 L506 Y552	W452-I462 HydrophobicContact CB-CB 4.4Å; W452-I462 HydrophobicContact CE3-CB 4.06Å; W452-I462 HydrophobicContact CE3-CD1 3.68Å; W452-I462 HydrophobicContact CE3-CG1 3.71Å; W452-I462 HydrophobicContact CZ3-CD1 3.96Å; W452-I462 HydrophobicContact CZ3-CG1 4.12Å; W452-I462 PolarHBondContact N-O 2.79Å; W452-I462 PolarHBondContact O-N 3.14Å; W452-I462 VanDerWaalsContact O-N 3.11Å; I462-A478 HydrophobicContact CB-CB 4.25Å; I462-A478 HydrophobicContact CG2-CB 3.7Å; I462-R480 CarbonylContact C-O 3.45Å; I462-R480 VanDerWaalsContact CA-O 3.25Å; I462-R480 WeakPolarHBondContact CA-O 3.26Å; I462-R480 WeakPolarHBondContact CG2-O 3.49Å; I462-P487 HydrophobicContact CD1-CB 4.48Å; I462-P487 HydrophobicContact CD1-CG 4.2Å; I462-L506 HydrophobicContact CD1-CD2 4.22Å; I462-Y552 HydrophobicContact CD1-CG 4.38Å
463	A	97.9	Very high	94.5	Very high	2 Å²	2	32 Å²	32	2%	0.017	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160	177.8	0	0	0	0	0	111.6	V331 D450 T451 V460 R465 A478 R480	V331-A463 HydrophobicContact CG1-CB 3.91Å; D450-A463 WeakPolarHBondContact O-CA 3.37Å; T451-A463 HydrophobicContact CG2-CB 4.13Å; V460-A463 HydrophobicContact CG1-CB 3.7Å; A463-R465 WeakPolarHBondContact CB-O 3.38Å; A463-R465 PolarHBondContact O-N 2.99Å; A463-R465 VanDerWaalsContact O-N 3.14Å; A463-A478 CarbonylContact C-O 3.17Å; A463-A478 WeakPolarHBondContact CA-O 3.43Å; A463-A478 PolarHBondContact N-O 3.13Å; A463-R480 PolarHBondContact N-O 2.94Å; A463-R480 PolarHBondContact O-N 3.13Å
464	P	97	Very high	94.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.177	C	C	.	.	S	Bend	trans	-60.9	-22.6	176.1	-26.9	34.9	0	0	0	114.1	D450 I473 A478 M479 R480	D450-P464 WeakPolarHBondContact O-CD 3.37Å; P464-I473 HydrophobicContact CB-CB 4.35Å; P464-I473 HydrophobicContact CB-CD1 4.08Å; P464-I473 HydrophobicContact CB-CG1 3.84Å; P464-I473 HydrophobicContact CB-CG2 3.92Å; P464-I473 HydrophobicContact CG-CG2 3.95Å; P464-A478 VanDerWaalsContact CD-O 3.29Å; P464-A478 WeakPolarHBondContact CD-O 3.16Å; P464-A478 VanDerWaalsContact N-O 3.09Å; P464-M479 HydrophobicContact CB-SD 3.82Å; P464-M479 HydrophobicContact CG-CG 4.29Å; P464-M479 HydrophobicContact CG-SD 4.01Å; P464-R480 PolarHBondContact O-NH1 2.83Å
465	R	95.3	Very high	94.3	Very high	41 Å²	41	33.5 Å²	33.5	16%	0.155	18%	0.184	C	C	.	.			trans	-124.2	153.2	178.8	-62.9	-67.1	177.4	-166.8	-13.4	110.2	V331 V449 A463 A467 E468 A471	V331-R465 WeakPolarHBondContact O-CB 3.27Å; V449-R465 HydrophobicContact CG1-CB 3.85Å; V449-R465 HydrophobicContact CG1-CG 3.54Å; A463-R465 WeakPolarHBondContact CB-O 3.38Å; A463-R465 PolarHBondContact O-N 2.99Å; A463-R465 VanDerWaalsContact O-N 3.14Å; R465-A467 PolarHBondContact NH1-O 2.7Å; R465-A467 VanDerWaalsContact NH1-O 3.09Å; R465-E468 PolarHBondContact NH1-O 2.77Å; R465-A471 PolarHBondContact NH2-O 2.94Å
466	P	93.2	Very high	94	Very high	3 Å²	3	33 Å²	33	2%	0.019	18%	0.182	C	C	.	.	S	Bend	cis	-69	147.2	0.5	28	-33.2	0	0	0	112.7	L54 Y67 Y330 F482 F483	L54-P466 HydrophobicContact CD2-CB 4.11Å; Y67-P466 HydrophobicContact CD2-CB 4.37Å; Y67-P466 HydrophobicContact CD2-CG 4.02Å; Y67-P466 WeakPolarHBondContact CD2-O 3.33Å; Y67-P466 HydrophobicContact CE2-CG 4.25Å; Y67-P466 WeakPolarHBondContact CE2-O 3.43Å; Y330-P466 HydrophobicContact CD1-CB 4.45Å; P466-F482 HydrophobicContact CG-CD2 4.07Å; P466-F482 HydrophobicContact CG-CE2 3.89Å; P466-F483 HydrophobicContact CB-CZ 4.43Å; P466-F483 HydrophobicContact CG-CE1 4.4Å; P466-F483 HydrophobicContact CG-CE2 3.91Å; P466-F483 HydrophobicContact CG-CZ 3.73Å
467	A	92.1	Very high	93.7	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	18%	0.179	C	C	.	.			trans	-163.1	164.4	173.1	0	0	0	0	0	107.7	R465 A471	R465-A467 PolarHBondContact NH1-O 2.7Å; R465-A467 VanDerWaalsContact NH1-O 3.09Å; A467-A471 HydrophobicContact CB-CB 3.71Å
468	E	87.5	Confident	93.5	Very high	67 Å²	67	32.4 Å²	32.4	31%	0.313	18%	0.18	S	C	.	.			trans	-52.7	147.2	177.3	-66.6	70.6	-157.2	0	0	111.6	Y67 R465 G470 A471	Y67-E468 PolarHBondContact N-OE1 3.29Å; Y67-E468 VanDerWaalsContact N-OE1 3.1Å; R465-E468 PolarHBondContact NH1-O 2.77Å; E468-G470 PolarHBondContact O-N 2.84Å; E468-A471 WeakPolarHBondContact O-CB 3.42Å; E468-A471 PolarHBondContact O-N 2.96Å
469	K	83.1	Confident	93.4	Very high	215 Å²	215	32.4 Å²	32.4	94%	0.935	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	128	178.5	-174.8	178.2	179.8	178.9	0	109.9	A471	K469-A471 VanDerWaalsContact C-N 3.3Å
470	G	84.6	Confident	93.3	Very high	71 Å²	71	33.7 Å²	33.7	73%	0.732	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.9	-1.2	-177.2	0	0	0	0	0	115.2	E468 E472	E468-G470 PolarHBondContact O-N 2.84Å; G470-E472 PolarHBondContact O-N 2.94Å
471	A	91.4	Very high	93.2	Very high	23 Å²	23	34.4 Å²	34.4	19%	0.19	19%	0.189	C	C	.	.			trans	-54.9	140.3	170.3	0	0	0	0	0	110.9	R465 A467 E468 K469	R465-A471 PolarHBondContact NH2-O 2.94Å; A467-A471 HydrophobicContact CB-CB 3.71Å; E468-A471 WeakPolarHBondContact O-CB 3.42Å; E468-A471 PolarHBondContact O-N 2.96Å; K469-A471 VanDerWaalsContact C-N 3.3Å
472	E	94.3	Very high	93.2	Very high	117 Å²	117	34.6 Å²	34.6	55%	0.547	19%	0.19	S	C	.	.			trans	-58.3	141.2	-176.9	-177.1	-179	-155.7	0	0	111.9	G470 V474 M479 R480	G470-E472 PolarHBondContact O-N 2.94Å; E472-V474 HydrophobicContact CG-CG2 4.22Å; E472-M479 WeakPolarHBondContact O-CE 3.22Å; E472-R480 PolarHBondContact O-NH1 3.42Å; E472-R480 PolarHBondContact O-NH2 2.83Å
473	I	96	Very high	93.2	Very high	32 Å²	32	34.5 Å²	34.5	16%	0.164	19%	0.19	C	C	.	.			trans	-117.7	111.6	167	-59.5	-174.9	0	0	0	106.9	W434 P447 L448 P464 M479	W434-I473 HydrophobicContact CZ2-CG2 4.07Å; P447-I473 HydrophobicContact CB-CD1 3.64Å; L448-I473 WeakPolarHBondContact O-CG2 3.28Å; P464-I473 HydrophobicContact CB-CB 4.35Å; P464-I473 HydrophobicContact CB-CD1 4.08Å; P464-I473 HydrophobicContact CB-CG1 3.84Å; P464-I473 HydrophobicContact CB-CG2 3.92Å; P464-I473 HydrophobicContact CG-CG2 3.95Å; I473-M479 HydrophobicContact CG2-SD 4.43Å
474	V	95.8	Very high	93.2	Very high	39 Å²	39	34.4 Å²	34.4	24%	0.236	19%	0.189	C	C	.	.			trans	-78.5	127.6	174.7	178.5	0	0	0	0	107.9	E472 M477 M479 Y551	E472-V474 HydrophobicContact CG-CG2 4.22Å; V474-M477 HydrophobicContact CB-CB 4.12Å; V474-M477 HydrophobicContact CB-SD 4.2Å; V474-M477 HydrophobicContact CG1-CB 4.14Å; V474-M477 HydrophobicContact CG1-SD 4.11Å; V474-M477 PolarHBondContact O-N 3.12Å; V474-M479 HydrophobicContact CB-CE 4.09Å; V474-M479 HydrophobicContact CB-SD 4.22Å; V474-M479 HydrophobicContact CG2-CE 3.71Å; V474-M479 HydrophobicContact CG2-SD 4.47Å; V474-M479 PolarHBondContact N-SD 3.19Å; V474-Y551 HydrophobicContact CG2-CD2 4.12Å; V474-Y551 HydrophobicContact CG2-CE2 4.13Å
475	P	91.8	Very high	93.2	Very high	41 Å²	41	34.4 Å²	34.4	27%	0.266	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	143.7	178.5	-28.9	36.3	0	0	0	113.2	W434 M477	W434-P475 HydrophobicContact CD2-CB 3.7Å; W434-P475 HydrophobicContact CD2-CG 4.37Å; W434-P475 HydrophobicContact CE3-CB 3.61Å; W434-P475 HydrophobicContact CE3-CG 3.93Å; W434-P475 HydrophobicContact CG-CB 4.27Å; W434-P475 HydrophobicContact CH2-CB 4.29Å; W434-P475 HydrophobicContact CH2-CG 3.92Å; W434-P475 HydrophobicContact CZ2-CB 4.34Å; W434-P475 HydrophobicContact CZ2-CG 4.31Å; W434-P475 HydrophobicContact CZ3-CB 3.94Å; W434-P475 HydrophobicContact CZ3-CG 3.71Å; P475-M477 PolarHBondContact O-N 2.59Å
476	A	85	Confident	93.3	Very high	11 Å²	11	36.1 Å²	36.1	9%	0.091	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	25.6	176.3	0	0	0	0	0	115.5	I429 W434	I429-A476 HydrophobicContact CG2-CB 4.5Å; I429-A476 VanDerWaalsContact O-CB 3.24Å; I429-A476 WeakPolarHBondContact O-CB 3.12Å; W434-A476 VanDerWaalsContact CD1-N 3.26Å
477	M	92.1	Very high	93.6	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.059	20%	0.2	C	C	.	.			trans	-124.7	133.2	-179.3	-158.7	179.2	-159.4	0	0	111.3	V474 P475 M479 Y551 Y552 Q553	V474-M477 HydrophobicContact CB-CB 4.12Å; V474-M477 HydrophobicContact CB-SD 4.2Å; V474-M477 HydrophobicContact CG1-CB 4.14Å; V474-M477 HydrophobicContact CG1-SD 4.11Å; V474-M477 PolarHBondContact O-N 3.12Å; P475-M477 PolarHBondContact O-N 2.59Å; M477-M479 VanDerWaalsContact C-N 3.32Å; M477-M479 HydrophobicContact CB-CG 3.92Å; M477-M479 HydrophobicContact CG-CG 4.01Å; M477-M479 WeakPolarHBondContact O-CG 3.36Å; M477-M479 HydrophobicContact SD-CG 4.27Å; M477-Y551 VanDerWaalsContact CE-C 3.49Å; M477-Y551 WeakPolarHBondContact CE-O 3.35Å; M477-Y551 VanDerWaalsContact SD-CB 3.55Å; M477-Y551 HydrophobicContact SD-CD2 4.38Å; M477-Y551 HydrophobicContact SD-CG 4.39Å; M477-Y552 WeakPolarHBondContact CG-O 3.34Å; M477-Q553 HydrophobicContact CE-CB 3.75Å; M477-Q553 HydrophobicContact CG-CB 3.94Å; M477-Q553 HydrophobicContact CG-CG 4.37Å
478	A	92.9	Very high	93.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	21%	0.205	C	C	.	.			trans	-71	-29.3	175.6	0	0	0	0	0	112	W452 I462 A463 P464 R480 Y552 I554	W452-A478 HydrophobicContact CB-CB 4.04Å; I462-A478 HydrophobicContact CB-CB 4.25Å; I462-A478 HydrophobicContact CG2-CB 3.7Å; A463-A478 CarbonylContact C-O 3.17Å; A463-A478 WeakPolarHBondContact CA-O 3.43Å; A463-A478 PolarHBondContact N-O 3.13Å; P464-A478 VanDerWaalsContact CD-O 3.29Å; P464-A478 WeakPolarHBondContact CD-O 3.16Å; P464-A478 VanDerWaalsContact N-O 3.09Å; A478-R480 PolarHBondContact O-N 2.91Å; A478-R480 VanDerWaalsContact O-N 3.14Å; A478-Y552 PolarHBondContact N-O 3.07Å; A478-I554 HydrophobicContact CB-CG1 4.3Å
479	M	96	Very high	94.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	66.9	-96.7	172.8	-50.1	-178.7	78.5	0	0	116.3	P464 E472 I473 V474 M477 Y551 Y552	P464-M479 HydrophobicContact CB-SD 3.82Å; P464-M479 HydrophobicContact CG-CG 4.29Å; P464-M479 HydrophobicContact CG-SD 4.01Å; E472-M479 WeakPolarHBondContact O-CE 3.22Å; I473-M479 HydrophobicContact CG2-SD 4.43Å; V474-M479 HydrophobicContact CB-CE 4.09Å; V474-M479 HydrophobicContact CB-SD 4.22Å; V474-M479 HydrophobicContact CG2-CE 3.71Å; V474-M479 HydrophobicContact CG2-SD 4.47Å; V474-M479 PolarHBondContact N-SD 3.19Å; M477-M479 VanDerWaalsContact C-N 3.32Å; M477-M479 HydrophobicContact CB-CG 3.92Å; M477-M479 HydrophobicContact CG-CG 4.01Å; M477-M479 WeakPolarHBondContact O-CG 3.36Å; M477-M479 HydrophobicContact SD-CG 4.27Å; M479-Y551 HydrophobicContact CB-CD1 4.09Å; M479-Y551 HydrophobicContact CB-CG 4.2Å; M479-Y551 HydrophobicContact CE-CD1 3.88Å; M479-Y551 HydrophobicContact CE-CD2 3.5Å; M479-Y551 VanDerWaalsContact CE-CD2 3.5Å; M479-Y551 HydrophobicContact CE-CE1 3.73Å; M479-Y551 HydrophobicContact CE-CE2 3.31Å; M479-Y551 HydrophobicContact CE-CG 3.79Å; M479-Y551 VanDerWaalsContact CE-CZ 3.44Å; M479-Y551 HydrophobicContact CG-CG 4.39Å; M479-Y552 PolarHBondContact N-O 3.47Å; M479-Y552 PolarHBondContact O-N 2.74Å
480	R	96.8	Very high	94.9	Very high	26 Å²	26	24.1 Å²	24.1	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	141.1	-157	-58.5	177.1	-175.6	82.7	6.2	111.1	I462 A463 P464 E472 A478 Y551	I462-R480 CarbonylContact C-O 3.45Å; I462-R480 VanDerWaalsContact CA-O 3.25Å; I462-R480 WeakPolarHBondContact CA-O 3.26Å; I462-R480 WeakPolarHBondContact CG2-O 3.49Å; A463-R480 PolarHBondContact N-O 2.94Å; A463-R480 PolarHBondContact O-N 3.13Å; P464-R480 PolarHBondContact O-NH1 2.83Å; E472-R480 PolarHBondContact O-NH1 3.42Å; E472-R480 PolarHBondContact O-NH2 2.83Å; A478-R480 PolarHBondContact O-N 2.91Å; A478-R480 VanDerWaalsContact O-N 3.14Å; R480-Y551 HydrophobicContact CG-CD1 4.12Å; R480-Y551 HydrophobicContact CG-CE1 4.08Å; R480-Y551 VanDerWaalsContact NH2-CZ 3.35Å; R480-Y551 PolarHBondContact NH2-OH 2.98Å
481	P	98.1	Very high	95.1	Very high	15 Å²	15	25 Å²	25	10%	0.097	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.9	174.2	27.6	-33.3	0	0	0	112	Y67 Y71 C461 I485 P487	Y67-P481 PolarHBondContact OH-O 3.22Å; Y71-P481 HydrophobicContact CD2-CG 4.28Å; Y71-P481 HydrophobicContact CE1-CG 4.32Å; Y71-P481 HydrophobicContact CE2-CB 3.78Å; Y71-P481 HydrophobicContact CE2-CG 3.45Å; Y71-P481 VanDerWaalsContact CE2-CG 3.45Å; Y71-P481 VanDerWaalsContact CZ-CG 3.46Å; Y71-P481 WeakPolarHBondContact OH-CG 3.49Å; C461-P481 CarbonylContact O-C 3.5Å; C461-P481 WeakPolarHBondContact O-CA 3.31Å; P481-I485 HydrophobicContact CB-CB 4.25Å; P481-I485 HydrophobicContact CB-CG2 4.3Å; P481-I485 WeakPolarHBondContact CB-O 3.11Å; P481-P487 HydrophobicContact CB-CG 3.73Å; P481-P487 HydrophobicContact CG-CG 4.29Å
482	F	98.3	Very high	94.5	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.018	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-73.7	167	169.7	-165	-106.4	0	0	0	110.9	Y323 L326 T327 V331 C461 P466 G484 I485	Y323-F482 AromaticContact CE2-CD1 3.75Å; Y323-F482 HydrophobicContact CE2-CD1 3.75Å; Y323-F482 HydrophobicContact CE2-CE1 4.08Å; Y323-F482 AromaticContact CZ-CD1 3.95Å; L326-F482 HydrophobicContact CB-CE1 4.27Å; L326-F482 HydrophobicContact CB-CZ 4.07Å; T327-F482 HydrophobicContact CG2-CD1 3.61Å; T327-F482 HydrophobicContact CG2-CD2 4.33Å; T327-F482 HydrophobicContact CG2-CE1 3.45Å; T327-F482 VanDerWaalsContact CG2-CE1 3.45Å; T327-F482 HydrophobicContact CG2-CE2 4.2Å; T327-F482 HydrophobicContact CG2-CG 4.07Å; T327-F482 HydrophobicContact CG2-CZ 3.77Å; V331-F482 HydrophobicContact CG2-CD2 3.98Å; V331-F482 HydrophobicContact CG2-CE2 4.02Å; C461-F482 PolarHBondContact O-N 2.83Å; P466-F482 HydrophobicContact CG-CD2 4.07Å; P466-F482 HydrophobicContact CG-CE2 3.89Å; F482-G484 PolarHBondContact O-N 3.48Å; F482-I485 HydrophobicContact CB-CG1 4.22Å; F482-I485 WeakPolarHBondContact O-CB 3.43Å; F482-I485 PolarHBondContact O-N 3.23Å; F482-I485 VanDerWaalsContact O-N 3.09Å
483	F	97.9	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.7	178.3	-52.3	-50	0	0	0	111.9	L58 Y67 L70 S74 F81 W82 Y330 P466 I485	L58-F483 HydrophobicContact CD1-CD2 4.43Å; L58-F483 HydrophobicContact CD1-CE2 3.69Å; L58-F483 HydrophobicContact CD1-CZ 4.09Å; Y67-F483 AromaticContact CD2-CE1 3.74Å; Y67-F483 HydrophobicContact CD2-CE1 3.74Å; Y67-F483 HydrophobicContact CD2-CZ 4.2Å; Y67-F483 HydrophobicContact CE2-CE1 4.05Å; L70-F483 HydrophobicContact CB-CD1 4.11Å; L70-F483 HydrophobicContact CB-CE1 3.54Å; L70-F483 HydrophobicContact CB-CZ 4.01Å; L70-F483 HydrophobicContact CD1-CE1 4.44Å; L70-F483 HydrophobicContact CD1-CZ 4.09Å; S74-F483 WeakPolarHBondContact OG-CA 3.36Å; F81-F483 HydrophobicContact CE1-CB 3.71Å; F81-F483 HydrophobicContact CE1-CG 4.3Å; F81-F483 HydrophobicContact CZ-CB 3.59Å; F81-F483 HydrophobicContact CZ-CD1 4.29Å; F81-F483 AromaticContact CZ-CD2 3.95Å; F81-F483 HydrophobicContact CZ-CD2 3.95Å; F81-F483 AromaticContact CZ-CG 3.68Å; F81-F483 HydrophobicContact CZ-CG 3.68Å; W82-F483 HydrophobicContact CZ2-CB 4.5Å; W82-F483 WeakPolarHBondContact CZ2-O 3.46Å; Y330-F483 HydrophobicContact CG-CE2 4.36Å; P466-F483 HydrophobicContact CB-CZ 4.43Å; P466-F483 HydrophobicContact CG-CE1 4.4Å; P466-F483 HydrophobicContact CG-CE2 3.91Å; P466-F483 HydrophobicContact CG-CZ 3.73Å; F483-I485 PolarHBondContact O-N 3.12Å
484	G	97.2	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-11.7	-177.9	0	0	0	0	0	114.9	S74 F482 Q510	S74-G484 PolarHBondContact OG-N 2.82Å; F482-G484 PolarHBondContact O-N 3.48Å; G484-Q510 PolarHBondContact O-NE2 2.74Å
485	I	98.5	Very high	92.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.			trans	-87.2	118.5	179.4	-55.2	-55.8	0	0	0	109.1	Y71 Y323 C461 P481 F482 F483 P487 I508 W512	Y71-I485 VanDerWaalsContact CE2-O 3.23Å; Y71-I485 WeakPolarHBondContact CE2-O 3.4Å; Y71-I485 PolarHBondContact OH-O 3.15Å; Y71-I485 VanDerWaalsContact OH-O 3.1Å; Y323-I485 WeakPolarHBondContact OH-CD1 3.44Å; Y323-I485 WeakPolarHBondContact OH-CG1 3.44Å; C461-I485 HydrophobicContact CB-CD1 4.45Å; C461-I485 HydrophobicContact CB-CG1 4.23Å; C461-I485 HydrophobicContact CB-CG2 4.23Å; P481-I485 HydrophobicContact CB-CB 4.25Å; P481-I485 HydrophobicContact CB-CG2 4.3Å; P481-I485 WeakPolarHBondContact CB-O 3.11Å; F482-I485 HydrophobicContact CB-CG1 4.22Å; F482-I485 WeakPolarHBondContact O-CB 3.43Å; F482-I485 PolarHBondContact O-N 3.23Å; F482-I485 VanDerWaalsContact O-N 3.09Å; F483-I485 PolarHBondContact O-N 3.12Å; I485-P487 HydrophobicContact CG2-CG 4.2Å; I485-P487 WeakPolarHBondContact O-CD 3.42Å; I485-I508 HydrophobicContact CG2-CD1 4.17Å; I485-I508 HydrophobicContact CG2-CG1 4.32Å; I485-I508 HydrophobicContact CG2-CG2 4.28Å; I485-W512 HydrophobicContact CD1-CB 4.05Å; I485-W512 HydrophobicContact CD1-CD2 3.48Å; I485-W512 VanDerWaalsContact CD1-CD2 3.48Å; I485-W512 HydrophobicContact CD1-CE3 3.89Å; I485-W512 HydrophobicContact CD1-CG 3.53Å
486	Q	97.6	Very high	92.7	Very high	77 Å²	77	40.2 Å²	40.2	36%	0.36	20%	0.202	S	C	.	.			trans	-113.6	91.3	176.6	-172.6	-176.9	23.7	0	0	109.6	V75 I508 G509 Q510	V75-Q486 HydrophobicContact CG1-CB 4.34Å; V75-Q486 HydrophobicContact CG1-CG 4.23Å; Q486-I508 WeakPolarHBondContact O-CA 3.49Å; Q486-G509 PolarHBondContact O-N 3.43Å; Q486-Q510 HydrophobicContact CB-CG 4.17Å
487	P	97.9	Very high	93.2	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.4	-177.5	-9.1	24	0	0	0	111.6	I462 P481 I485 L506 C507 Y552	I462-P487 HydrophobicContact CD1-CB 4.48Å; I462-P487 HydrophobicContact CD1-CG 4.2Å; P481-P487 HydrophobicContact CB-CG 3.73Å; P481-P487 HydrophobicContact CG-CG 4.29Å; I485-P487 HydrophobicContact CG2-CG 4.2Å; I485-P487 WeakPolarHBondContact O-CD 3.42Å; P487-L506 HydrophobicContact CB-CD1 3.91Å; P487-C507 CarbonylContact C-O 3.55Å; P487-C507 WeakPolarHBondContact CA-O 3.2Å; P487-Y552 HydrophobicContact CB-CD1 4.22Å; P487-Y552 HydrophobicContact CB-CE1 3.63Å; P487-Y552 HydrophobicContact CB-CE2 4.23Å; P487-Y552 HydrophobicContact CG-CD2 4.49Å; P487-Y552 HydrophobicContact CG-CE1 4.35Å; P487-Y552 HydrophobicContact CG-CE2 4.09Å; P487-Y552 PolarHBondContact O-OH 3.35Å; P487-Y552 VanDerWaalsContact O-OH 3.05Å
488	V	97.5	Very high	93.4	Very high	23 Å²	23	45.6 Å²	45.6	14%	0.139	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.7	177.6	-173.3	0	0	0	0	108	M490 P496 C507	V488-M490 HydrophobicContact CB-SD 4.48Å; V488-M490 HydrophobicContact CG1-SD 3.59Å; V488-M490 VanDerWaalsContact CG1-SD 3.59Å; V488-P496 HydrophobicContact CG1-CB 3.88Å; V488-P496 HydrophobicContact CG1-CG 4.43Å; V488-C507 PolarHBondContact N-O 2.74Å; V488-C507 PolarHBondContact O-N 3.32Å
489	L	97.6	Very high	93.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	130.7	171.1	-60.6	-174.7	0	0	0	108.9	I497 V502 A505 L506 A544 R546 Y552	L489-I497 HydrophobicContact CB-CB 4.36Å; L489-I497 HydrophobicContact CB-CD1 4.38Å; L489-I497 PolarHBondContact O-N 3.18Å; L489-V502 HydrophobicContact CD1-CG2 4.12Å; L489-V502 WeakPolarHBondContact CD1-O 3.35Å; L489-A505 CarbonylContact C-O 3.24Å; L489-A505 WeakPolarHBondContact CA-O 3.35Å; L489-L506 HydrophobicContact CD2-CB 4.49Å; L489-L506 HydrophobicContact CD2-CD1 3.95Å; L489-A544 HydrophobicContact CD2-CB 3.78Å; L489-R546 HydrophobicContact CD1-CB 3.68Å; L489-Y552 HydrophobicContact CD2-CD1 4.45Å; L489-Y552 HydrophobicContact CD2-CE1 4.22Å; L489-Y552 HydrophobicContact CG-CE1 4.25Å
490	M	95.4	Very high	93.5	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.03	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139.7	-176.4	-55.9	-64.3	-78.3	0	0	110.8	V488 G494 K495 P496 A505 C507 Y534	V488-M490 HydrophobicContact CB-SD 4.48Å; V488-M490 HydrophobicContact CG1-SD 3.59Å; V488-M490 VanDerWaalsContact CG1-SD 3.59Å; M490-G494 WeakPolarHBondContact CE-O 3.3Å; M490-K495 WeakPolarHBondContact CA-O 2.97Å; M490-P496 HydrophobicContact CE-CG 4.09Å; M490-P496 HydrophobicContact SD-CB 4.04Å; M490-P496 HydrophobicContact SD-CG 3.86Å; M490-A505 HydrophobicContact CB-CB 4.28Å; M490-A505 PolarHBondContact N-O 2.85Å; M490-A505 PolarHBondContact O-N 2.87Å; M490-C507 HydrophobicContact CG-CB 3.99Å; M490-C507 VanDerWaalsContact CG-SG 3.52Å; M490-Y534 HydrophobicContact CB-CD1 3.74Å; M490-Y534 HydrophobicContact CB-CE1 3.53Å; M490-Y534 HydrophobicContact CB-CG 4.36Å; M490-Y534 HydrophobicContact CE-CD1 3.8Å; M490-Y534 HydrophobicContact CE-CG 4.37Å; M490-Y534 HydrophobicContact CG-CD1 3.91Å; M490-Y534 HydrophobicContact CG-CE1 4.22Å; M490-Y534 HydrophobicContact CG-CG 4.16Å
491	E	89.9	Confident	93.5	Very high	89 Å²	89	54 Å²	54	42%	0.416	30%	0.296	S	S	.	.			trans	-70	161	163.8	-61	-178.1	-177.8	0	0	110.6	K493 G494 K495 I497 Y534	E491-K493 PolarHBondContact O-N 3.39Å; E491-K493 VanDerWaalsContact O-N 3.13Å; E491-G494 PolarHBondContact O-N 3.18Å; E491-K495 PolarHBondContact N-O 3.16Å; E491-I497 HydrophobicContact CG-CD1 3.95Å; E491-I497 HydrophobicContact CG-CG1 3.54Å; E491-Y534 WeakPolarHBondContact O-CE1 3.46Å
492	E	77.5	Confident	93.3	Very high	139 Å²	139	54.9 Å²	54.9	65%	0.65	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-30.1	176.3	-173.3	169	-178.1	0	0	113.9	G494 R568	E492-G494 PolarHBondContact O-N 3.4Å; E492-R568 IonicContact OE1-NH1 2.63Å; E492-R568 IonicContact OE2-NH1 3.58Å; E492-R568 PolarHBondContact OE2-NH1 3.5Å
493	K	73	Confident	93	Very high	193 Å²	193	58.2 Å²	58.2	84%	0.839	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	8.4	177.4	-64.7	-179	-179.1	175.4	0	113.6	E491	E491-K493 PolarHBondContact O-N 3.39Å; E491-K493 VanDerWaalsContact O-N 3.13Å
494	G	82.2	Confident	92.7	Very high	32 Å²	32	59 Å²	59	33%	0.33	33%	0.332	S	S	.	.	S	Bend	trans	82.1	15.6	174.7	0	0	0	0	0	115.6	M490 E491 E492	M490-G494 WeakPolarHBondContact CE-O 3.3Å; E491-G494 PolarHBondContact O-N 3.18Å; E492-G494 PolarHBondContact O-N 3.4Å
495	K	90.5	Very high	92.6	Very high	137 Å²	137	59.1 Å²	59.1	60%	0.596	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-91.6	136.1	174.5	-69.5	-172.4	178.6	-176.3	0	111.1	M490 E491	M490-K495 WeakPolarHBondContact CA-O 2.97Å; E491-K495 PolarHBondContact N-O 3.16Å
496	P	95.5	Very high	92.5	Very high	71 Å²	71	59.1 Å²	59.1	46%	0.461	33%	0.333	S	S	.	.	B	Isolated β-bridge	trans	-63.3	136.8	170.4	-22.2	33.3	0	0	0	112.2	V488 M490	V488-P496 HydrophobicContact CG1-CB 3.88Å; V488-P496 HydrophobicContact CG1-CG 4.43Å; M490-P496 HydrophobicContact CE-CG 4.09Å; M490-P496 HydrophobicContact SD-CB 4.04Å; M490-P496 HydrophobicContact SD-CG 3.86Å
497	I	95.7	Very high	92.5	Very high	32 Å²	32	55.4 Å²	55.4	16%	0.164	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-90.8	120.5	175.1	-52.5	171.5	0	0	0	108.8	L489 E491 V502 S503 R546	L489-I497 HydrophobicContact CB-CB 4.36Å; L489-I497 HydrophobicContact CB-CD1 4.38Å; L489-I497 PolarHBondContact O-N 3.18Å; E491-I497 HydrophobicContact CG-CD1 3.95Å; E491-I497 HydrophobicContact CG-CG1 3.54Å; I497-V502 HydrophobicContact CG2-CB 3.73Å; I497-V502 HydrophobicContact CG2-CG1 3.76Å; I497-V502 HydrophobicContact CG2-CG2 3.88Å; I497-S503 VanDerWaalsContact CD1-O 3.27Å; I497-S503 WeakPolarHBondContact CD1-O 3.41Å; I497-R546 PolarHBondContact O-NH2 3.16Å
498	S	94.6	Very high	92.5	Very high	104 Å²	104	55.1 Å²	55.1	73%	0.727	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-91.1	160.1	178.1	-62.5	0	0	0	0	111.6
499	G	94.9	Very high	92.5	Very high	47 Å²	47	54.9 Å²	54.9	49%	0.485	32%	0.316	S	S	.	.	S	Bend	trans	79.2	179.8	176.8	0	0	0	0	0	114.3	V502 R546	G499-V502 WeakPolarHBondContact O-CG2 3.11Å; G499-R546 PolarHBondContact O-NE 2.69Å; G499-R546 PolarHBondContact O-NH2 3.17Å
500	N	97.1	Very high	92.4	Very high	76 Å²	76	56 Å²	56	41%	0.406	32%	0.321	S	S	.	.	S	Bend	trans	-105.3	171.5	-179.1	-76.2	-9.5	0	0	0	110.4	R546 S547 K548	N500-R546 PolarHBondContact OD1-NE 3.36Å; N500-S547 WeakPolarHBondContact CB-O 3.5Å; N500-K548 PolarHBondContact ND2-O 2.78Å
501	D	95.8	Very high	92.5	Very high	82 Å²	82	56.1 Å²	56.1	44%	0.439	32%	0.323	S	S	.	.	S	Bend	trans	64.2	48.3	-176.2	-154.4	18	0	0	0	112.9	Y545 R546 S547 K548	D501-Y545 WeakPolarHBondContact OD1-CE2 3.38Å; D501-Y545 PolarHBondContact OD1-OH 2.84Å; D501-R546 WeakPolarHBondContact CA-O 3.27Å; D501-R546 PolarHBondContact N-O 3.23Å; D501-S547 PolarHBondContact N-O 2.83Å; D501-K548 HydrophobicContact CB-CG 3.95Å; D501-K548 WeakPolarHBondContact OD2-CE 3.28Å
502	V	94.9	Very high	92.9	Very high	32 Å²	32	51.9 Å²	51.9	19%	0.194	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	150.5	-172.7	-69.9	0	0	0	0	111.7	L489 I497 G499 Y545 R546	L489-V502 HydrophobicContact CD1-CG2 4.12Å; L489-V502 WeakPolarHBondContact CD1-O 3.35Å; I497-V502 HydrophobicContact CG2-CB 3.73Å; I497-V502 HydrophobicContact CG2-CG1 3.76Å; I497-V502 HydrophobicContact CG2-CG2 3.88Å; G499-V502 WeakPolarHBondContact O-CG2 3.11Å; V502-Y545 WeakPolarHBondContact O-CA 3.45Å; V502-Y545 WeakPolarHBondContact O-CD2 3.48Å; V502-R546 HydrophobicContact CG2-CB 4.31Å; V502-R546 PolarHBondContact N-O 3.32Å; V502-R546 VanDerWaalsContact N-O 3.13Å; V502-R546 PolarHBondContact O-N 3.1Å
503	S	92.1	Very high	93.9	Very high	74 Å²	74	45.3 Å²	45.3	52%	0.517	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.3	177	-63.3	0	0	0	0	111.2	I497 A544 Y545	I497-S503 VanDerWaalsContact CD1-O 3.27Å; I497-S503 WeakPolarHBondContact CD1-O 3.41Å; S503-A544 WeakPolarHBondContact CA-O 3.39Å; S503-Y545 WeakPolarHBondContact OG-CD2 3.02Å
504	G	91.5	Very high	95.1	Very high	17 Å²	17	36.1 Å²	36.1	18%	0.175	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	-175.2	177.5	0	0	0	0	0	113.5	L506 G543 A544	G504-L506 PolarHBondContact O-N 2.59Å; G504-G543 WeakPolarHBondContact O-CA 3.33Å; G504-A544 PolarHBondContact N-O 3.15Å; G504-A544 PolarHBondContact O-N 2.88Å
505	A	94.4	Very high	95.8	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.017	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	125.9	171.9	0	0	0	0	0	109.7	L489 M490 C507 Y534 F539 M558	L489-A505 CarbonylContact C-O 3.24Å; L489-A505 WeakPolarHBondContact CA-O 3.35Å; M490-A505 HydrophobicContact CB-CB 4.28Å; M490-A505 PolarHBondContact N-O 2.85Å; M490-A505 PolarHBondContact O-N 2.87Å; A505-C507 PolarHBondContact O-N 3.49Å; A505-Y534 HydrophobicContact CB-CE2 3.83Å; A505-Y534 VanDerWaalsContact CB-OH 3.31Å; A505-Y534 WeakPolarHBondContact CB-OH 3.48Å; A505-F539 HydrophobicContact CB-CE2 4Å; A505-M558 HydrophobicContact CB-CE 4.09Å; A505-M558 HydrophobicContact CB-SD 4.41Å
506	L	97.4	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.8	179.4	-177.1	63	0	0	0	110	W452 I462 P487 L489 G504 T540 D542 A544 Y552 I554	W452-L506 HydrophobicContact CD2-CD2 4.37Å; W452-L506 HydrophobicContact CE3-CD2 4.33Å; W452-L506 HydrophobicContact CH2-CD2 3.64Å; W452-L506 HydrophobicContact CZ2-CD2 3.64Å; W452-L506 HydrophobicContact CZ3-CD2 3.98Å; I462-L506 HydrophobicContact CD1-CD2 4.22Å; P487-L506 HydrophobicContact CB-CD1 3.91Å; L489-L506 HydrophobicContact CD2-CB 4.49Å; L489-L506 HydrophobicContact CD2-CD1 3.95Å; G504-L506 PolarHBondContact O-N 2.59Å; L506-T540 HydrophobicContact CB-CG2 4.49Å; L506-T540 HydrophobicContact CD2-CG2 4.35Å; L506-T540 HydrophobicContact CG-CG2 4.06Å; L506-T540 WeakPolarHBondContact O-CG2 3.49Å; L506-T540 PolarHBondContact O-N 3.18Å; L506-T540 PolarHBondContact O-OG1 3.45Å; L506-D542 WeakPolarHBondContact CB-O 3.32Å; L506-D542 PolarHBondContact N-O 3.07Å; L506-A544 HydrophobicContact CB-CB 4.03Å; L506-A544 HydrophobicContact CD1-CB 4.14Å; L506-A544 HydrophobicContact CD2-CB 4.2Å; L506-A544 HydrophobicContact CG-CB 4.35Å; L506-Y552 HydrophobicContact CD1-CD1 4.35Å; L506-Y552 HydrophobicContact CD1-CE1 4.47Å; L506-I554 HydrophobicContact CD2-CD1 3.71Å
507	C	97.9	Very high	96.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	162.6	172.3	-66.5	0	0	0	0	110.4	P487 V488 M490 A505 Y534 H537 Y538	P487-C507 CarbonylContact C-O 3.55Å; P487-C507 WeakPolarHBondContact CA-O 3.2Å; V488-C507 PolarHBondContact N-O 2.74Å; V488-C507 PolarHBondContact O-N 3.32Å; M490-C507 HydrophobicContact CG-CB 3.99Å; M490-C507 VanDerWaalsContact CG-SG 3.52Å; A505-C507 PolarHBondContact O-N 3.49Å; C507-Y534 WeakPolarHBondContact SG-CD2 3.43Å; C507-H537 HydrophobicContact CB-CB 3.93Å; C507-Y538 CarbonylContact C-O 3.59Å; C507-Y538 WeakPolarHBondContact CA-O 3.34Å; C507-Y538 WeakPolarHBondContact CB-O 3.15Å
508	I	98.2	Very high	96.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125	170.5	-57.5	170.3	0	0	0	108.2	W452 I485 Q486 Q510 W512 Y538 T540	W452-I508 HydrophobicContact CH2-CD1 4.49Å; I485-I508 HydrophobicContact CG2-CD1 4.17Å; I485-I508 HydrophobicContact CG2-CG1 4.32Å; I485-I508 HydrophobicContact CG2-CG2 4.28Å; Q486-I508 WeakPolarHBondContact O-CA 3.49Å; I508-Q510 WeakPolarHBondContact CG2-O 3.3Å; I508-Q510 PolarHBondContact O-N 3.48Å; I508-W512 HydrophobicContact CB-CH2 4.3Å; I508-W512 HydrophobicContact CB-CZ3 3.77Å; I508-W512 HydrophobicContact CD1-CE3 4.48Å; I508-W512 HydrophobicContact CD1-CH2 3.36Å; I508-W512 HydrophobicContact CD1-CZ2 4.06Å; I508-W512 HydrophobicContact CD1-CZ3 3.62Å; I508-W512 HydrophobicContact CG1-CH2 4.39Å; I508-W512 HydrophobicContact CG1-CZ3 4.28Å; I508-W512 HydrophobicContact CG2-CE3 3.85Å; I508-W512 HydrophobicContact CG2-CH2 4.36Å; I508-W512 HydrophobicContact CG2-CZ3 3.47Å; I508-W512 VanDerWaalsContact CG2-CZ3 3.47Å; I508-Y538 HydrophobicContact CB-CD1 4.33Å; I508-Y538 HydrophobicContact CD1-CD1 4.04Å; I508-Y538 HydrophobicContact CD1-CE1 4.43Å; I508-Y538 HydrophobicContact CG1-CD1 4.32Å; I508-Y538 PolarHBondContact N-O 3.4Å; I508-Y538 PolarHBondContact O-N 2.78Å; I508-T540 HydrophobicContact CD1-CG2 4.45Å; I508-T540 HydrophobicContact CG1-CG2 4.35Å
509	G	96.5	Very high	96.5	Very high	19 Å²	19	20.7 Å²	20.7	20%	0.196	14%	0.137	C	C	.	.	S	Bend	trans	-79.1	-11.9	-169	0	0	0	0	0	115.6	Q486	Q486-G509 PolarHBondContact O-N 3.43Å
510	Q	95.3	Very high	96.6	Very high	22 Å²	22	20.4 Å²	20.4	10%	0.103	12%	0.122	C	C	.	.	S	Bend	trans	-147	156.3	177	62.6	170.7	8.9	0	0	112.3	V75 G484 Q486 I508 W512	V75-Q510 PolarHBondContact O-OE1 3.15Å; G484-Q510 PolarHBondContact O-NE2 2.74Å; Q486-Q510 HydrophobicContact CB-CG 4.17Å; I508-Q510 WeakPolarHBondContact CG2-O 3.3Å; I508-Q510 PolarHBondContact O-N 3.48Å; Q510-W512 VanDerWaalsContact O-CE3 3.32Å
511	P	97.3	Very high	96.5	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.065	14%	0.144	C	C	.	.			trans	-67.5	151.8	172.2	-20	34.5	0	0	0	112.4	C102 I104 I109 W111	C102-P511 HydrophobicContact CB-CB 4.09Å; C102-P511 HydrophobicContact CB-CG 3.77Å; I104-P511 HydrophobicContact CB-CG 4.28Å; I104-P511 HydrophobicContact CD1-CG 4.39Å; I109-P511 HydrophobicContact CD1-CB 3.87Å; I109-P511 HydrophobicContact CD1-CG 3.73Å; I109-P511 HydrophobicContact CG2-CB 4.28Å; W111-P511 WeakPolarHBondContact CZ2-O 3.1Å
512	W	98.4	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	14%	0.138	C	C	.	.			trans	-131.9	163.6	172.2	64	101.6	0	0	0	110.3	W111 Y323 T457 I485 I508 Q510 G514 M515 Y538	W111-W512 PolarHBondContact NE1-O 3.18Å; Y323-W512 AromaticContact CE1-CD1 3.97Å; Y323-W512 AromaticContact CE2-CD1 3.75Å; Y323-W512 AromaticContact CZ-CD1 3.71Å; T457-W512 HydrophobicContact CG2-CH2 4.5Å; T457-W512 HydrophobicContact CG2-CZ2 3.87Å; T457-W512 PolarHBondContact O-NE1 3.35Å; T457-W512 VanDerWaalsContact O-NE1 3.08Å; I485-W512 HydrophobicContact CD1-CB 4.05Å; I485-W512 HydrophobicContact CD1-CD2 3.48Å; I485-W512 VanDerWaalsContact CD1-CD2 3.48Å; I485-W512 HydrophobicContact CD1-CE3 3.89Å; I485-W512 HydrophobicContact CD1-CG 3.53Å; I508-W512 HydrophobicContact CB-CH2 4.3Å; I508-W512 HydrophobicContact CB-CZ3 3.77Å; I508-W512 HydrophobicContact CD1-CE3 4.48Å; I508-W512 HydrophobicContact CD1-CH2 3.36Å; I508-W512 HydrophobicContact CD1-CZ2 4.06Å; I508-W512 HydrophobicContact CD1-CZ3 3.62Å; I508-W512 HydrophobicContact CG1-CH2 4.39Å; I508-W512 HydrophobicContact CG1-CZ3 4.28Å; I508-W512 HydrophobicContact CG2-CE3 3.85Å; I508-W512 HydrophobicContact CG2-CH2 4.36Å; I508-W512 HydrophobicContact CG2-CZ3 3.47Å; I508-W512 VanDerWaalsContact CG2-CZ3 3.47Å; Q510-W512 VanDerWaalsContact O-CE3 3.32Å; W512-G514 PolarHBondContact O-N 2.87Å; W512-M515 HydrophobicContact CD2-CB 4.06Å; W512-M515 HydrophobicContact CE3-CE 4.34Å; W512-M515 HydrophobicContact CE3-SD 4.3Å; W512-M515 HydrophobicContact CG-CB 4.48Å; W512-M515 HydrophobicContact CH2-CB 4.41Å; W512-M515 HydrophobicContact CH2-CE 3.31Å; W512-M515 HydrophobicContact CH2-CG 4.16Å; W512-M515 HydrophobicContact CH2-SD 4.06Å; W512-M515 HydrophobicContact CZ2-CB 3.94Å; W512-M515 HydrophobicContact CZ2-CE 4.13Å; W512-M515 HydrophobicContact CZ2-CG 4.06Å; W512-M515 HydrophobicContact CZ2-SD 4.49Å; W512-M515 HydrophobicContact CZ3-CE 3.44Å; W512-M515 VanDerWaalsContact CZ3-CE 3.44Å; W512-M515 HydrophobicContact CZ3-SD 3.95Å; W512-M515 WeakPolarHBondContact O-CB 3.42Å; W512-M515 PolarHBondContact O-N 3.26Å; W512-Y538 AromaticContact CH2-CD1 3.79Å; W512-Y538 HydrophobicContact CH2-CD1 3.79Å; W512-Y538 HydrophobicContact CH2-CE1 4.11Å; W512-Y538 HydrophobicContact CH2-CG 4.2Å; W512-Y538 HydrophobicContact CZ3-CD1 4.4Å
513	P	98.4	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.7	-171.9	-26.8	35.2	0	0	0	115.3	W82 W111 F112 G319 M515 R517	W82-P513 HydrophobicContact CB-CG 4.46Å; W82-P513 HydrophobicContact CD2-CG 3.48Å; W82-P513 VanDerWaalsContact CD2-CG 3.48Å; W82-P513 HydrophobicContact CE3-CG 3.65Å; W82-P513 HydrophobicContact CG-CG 3.84Å; W82-P513 HydrophobicContact CH2-CG 4.32Å; W82-P513 HydrophobicContact CZ2-CG 4.19Å; W82-P513 HydrophobicContact CZ3-CG 4.03Å; W111-P513 HydrophobicContact CD2-CB 4.17Å; W111-P513 HydrophobicContact CD2-CG 3.87Å; W111-P513 HydrophobicContact CE3-CG 3.83Å; W111-P513 HydrophobicContact CG-CB 4.27Å; W111-P513 HydrophobicContact CG-CG 4.48Å; W111-P513 HydrophobicContact CH2-CG 4.13Å; W111-P513 HydrophobicContact CZ2-CG 4.19Å; W111-P513 HydrophobicContact CZ3-CG 3.97Å; F112-P513 HydrophobicContact CE2-CB 4.22Å; F112-P513 HydrophobicContact CZ-CB 4.49Å; F112-P513 HydrophobicContact CZ-CG 4.37Å; G319-P513 CarbonylContact C-O 3.59Å; G319-P513 VanDerWaalsContact C-O 3.25Å; G319-P513 WeakPolarHBondContact CA-O 3.3Å; G319-P513 CarbonylContact O-C 3.52Å; P513-M515 VanDerWaalsContact C-N 3.32Å; P513-M515 PolarHBondContact O-N 3.5Å; P513-R517 PolarHBondContact O-NH1 2.93Å; P513-R517 PolarHBondContact O-NH2 3.27Å
514	G	98.1	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.4	-174.5	0	0	0	0	0	115.9	H315 T457 G458 W512	H315-G514 PolarHBondContact CE1-O 2.79Å; H315-G514 PolarHBondContact ND1-O 3.28Å; T457-G514 CarbonylContact C-O 3.5Å; T457-G514 CarbonylContact O-C 3.54Å; T457-G514 VanDerWaalsContact O-O 3.05Å; G458-G514 WeakPolarHBondContact CA-O 3.2Å; G458-G514 PolarHBondContact N-O 3.5Å; W512-G514 PolarHBondContact O-N 2.87Å
515	M	98.3	Very high	96.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.15	C	C	.	.	S	Bend	trans	-62.9	145.4	-177.7	-175.8	175.4	-133.4	0	0	112.7	I109 E456 W512 P513 R517 F531 Y538	I109-M515 HydrophobicContact CD1-SD 4.43Å; I109-M515 HydrophobicContact CG1-SD 4.2Å; E456-M515 CarbonylContact O-C 2.78Å; W512-M515 HydrophobicContact CD2-CB 4.06Å; W512-M515 HydrophobicContact CE3-CE 4.34Å; W512-M515 HydrophobicContact CE3-SD 4.3Å; W512-M515 HydrophobicContact CG-CB 4.48Å; W512-M515 HydrophobicContact CH2-CB 4.41Å; W512-M515 HydrophobicContact CH2-CE 3.31Å; W512-M515 HydrophobicContact CH2-CG 4.16Å; W512-M515 HydrophobicContact CH2-SD 4.06Å; W512-M515 HydrophobicContact CZ2-CB 3.94Å; W512-M515 HydrophobicContact CZ2-CE 4.13Å; W512-M515 HydrophobicContact CZ2-CG 4.06Å; W512-M515 HydrophobicContact CZ2-SD 4.49Å; W512-M515 HydrophobicContact CZ3-CE 3.44Å; W512-M515 VanDerWaalsContact CZ3-CE 3.44Å; W512-M515 HydrophobicContact CZ3-SD 3.95Å; W512-M515 WeakPolarHBondContact O-CB 3.42Å; W512-M515 PolarHBondContact O-N 3.26Å; P513-M515 VanDerWaalsContact C-N 3.32Å; P513-M515 PolarHBondContact O-N 3.5Å; M515-R517 PolarHBondContact O-NH1 3.43Å; M515-F531 HydrophobicContact CE-CE1 4.09Å; M515-F531 HydrophobicContact CE-CZ 4.05Å; M515-Y538 HydrophobicContact CE-CD1 3.95Å; M515-Y538 HydrophobicContact CE-CD2 3.12Å; M515-Y538 HydrophobicContact CE-CE2 3.8Å; M515-Y538 HydrophobicContact CE-CG 3.19Å
516	A	98.1	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.			trans	-60.5	148.7	172.3	0	0	0	0	0	111.5	I313 V314 H315 E456 F526	I313-A516 HydrophobicContact CG2-CB 3.42Å; I313-A516 VanDerWaalsContact CG2-CB 3.42Å; V314-A516 WeakPolarHBondContact O-CA 3.07Å; H315-A516 PolarHBondContact CE1-N 2.96Å; E456-A516 HydrophobicContact CB-CB 4.4Å; E456-A516 WeakPolarHBondContact O-CB 3.41Å; E456-A516 PolarHBondContact O-N 3.27Å; A516-F526 HydrophobicContact CB-CE2 4.24Å; A516-F526 VanDerWaalsContact O-CZ 3.29Å; A516-F526 WeakPolarHBondContact O-CZ 3.45Å
517	R	98.2	Very high	96.6	Very high	20 Å²	20	27.8 Å²	27.8	8%	0.075	16%	0.159	C	C	.	.			trans	-92.4	-32.1	-178.4	-59.3	-46.8	-164.5	-114.4	-2.7	113.5	I109 E295 V314 T316 P513 M515 F526	I109-R517 WeakPolarHBondContact O-CD 3.47Å; I109-R517 PolarHBondContact O-NE 3.16Å; I109-R517 VanDerWaalsContact O-NE 3.09Å; E295-R517 IonicContact OE1-CZ 3.74Å; E295-R517 IonicContact OE1-NE 3.13Å; E295-R517 IonicContact OE1-NH2 3.4Å; E295-R517 PolarHBondContact OE1-NH2 3.48Å; E295-R517 IonicContact OE2-CZ 2.78Å; E295-R517 IonicContact OE2-NE 2.86Å; E295-R517 PolarHBondContact OE2-NE 2.97Å; E295-R517 IonicContact OE2-NH2 3.07Å; E295-R517 PolarHBondContact OE2-NH2 3Å; V314-R517 PolarHBondContact O-N 2.79Å; T316-R517 HydrophobicContact CG2-CB 4.4Å; T316-R517 HydrophobicContact CG2-CG 3.51Å; T316-R517 PolarHBondContact OG1-NE 3.12Å; T316-R517 PolarHBondContact OG1-NH2 3.42Å; P513-R517 PolarHBondContact O-NH1 2.93Å; P513-R517 PolarHBondContact O-NH2 3.27Å; M515-R517 PolarHBondContact O-NH1 3.43Å; R517-F526 WeakPolarHBondContact O-CE1 3.47Å
518	T	98.1	Very high	96.5	Very high	29 Å²	29	30.4 Å²	30.4	18%	0.178	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	172	-177.4	-167.6	0	0	0	0	111.4	V314 H523	V314-T518 HydrophobicContact CB-CG2 3.81Å; V314-T518 HydrophobicContact CG1-CG2 4.37Å; V314-T518 HydrophobicContact CG2-CG2 3.67Å; V314-T518 PolarHBondContact N-O 3.49Å; T518-H523 WeakPolarHBondContact OG1-CA 3.47Å; T518-H523 WeakPolarHBondContact OG1-CB 3.49Å; T518-H523 PolarHBondContact OG1-ND1 3.01Å
519	I	96.1	Very high	96	Very high	3 Å²	3	32 Å²	32	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.6	151.8	-63	170	0	0	0	107	K311 G312 I313 G521 D522 R525 F526 Y530	K311-I519 HydrophobicContact CB-CD1 4.44Å; K311-I519 HydrophobicContact CB-CG2 4.4Å; K311-I519 HydrophobicContact CD-CD1 4.18Å; K311-I519 HydrophobicContact CG-CD1 4.23Å; G312-I519 WeakPolarHBondContact O-CA 3.21Å; I313-I519 HydrophobicContact CD1-CG1 3.97Å; I519-G521 PolarHBondContact O-N 2.91Å; I519-D522 HydrophobicContact CG2-CB 4.2Å; I519-D522 CarbonylContact O-C 3.59Å; I519-D522 PolarHBondContact O-N 3.23Å; I519-D522 VanDerWaalsContact O-N 3.11Å; I519-R525 HydrophobicContact CD1-CB 4.13Å; I519-R525 HydrophobicContact CD1-CG 3.81Å; I519-F526 HydrophobicContact CB-CB 4.35Å; I519-F526 HydrophobicContact CD1-CB 4.29Å; I519-F526 HydrophobicContact CG1-CB 4.04Å; I519-F526 HydrophobicContact CG1-CD2 4.22Å; I519-Y530 HydrophobicContact CD1-CE2 4.27Å
520	F	96.2	Very high	95.9	Very high	40 Å²	40	31.7 Å²	31.7	18%	0.175	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.7	-179.4	-177.3	-104.9	0	0	0	111	D219 M297 M300 G312 V314 D522	D219-F520 WeakPolarHBondContact O-CD1 3.28Å; D219-F520 WeakPolarHBondContact O-CE1 3.22Å; M297-F520 HydrophobicContact CE-CE2 4.12Å; M297-F520 HydrophobicContact SD-CD2 4.07Å; M297-F520 HydrophobicContact SD-CE2 4.25Å; M300-F520 HydrophobicContact SD-CB 3.62Å; M300-F520 HydrophobicContact SD-CD1 3.99Å; M300-F520 HydrophobicContact SD-CD2 3.65Å; M300-F520 HydrophobicContact SD-CE2 4.31Å; M300-F520 HydrophobicContact SD-CG 3.47Å; M300-F520 WeakPolarHBondContact SD-CG 3.46Å; G312-F520 PolarHBondContact O-N 3Å; V314-F520 HydrophobicContact CG2-CB 3.88Å; F520-D522 PolarHBondContact O-N 3.13Å
521	G	95.1	Very high	95.9	Very high	83 Å²	83	30.8 Å²	30.8	86%	0.856	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	-2	-177.9	0	0	0	0	0	116	I519	I519-G521 PolarHBondContact O-N 2.91Å
522	D	94.7	Very high	95.8	Very high	62 Å²	62	36.3 Å²	36.3	33%	0.332	20%	0.197	S	C	.	.			trans	-149.4	63.2	-172.1	-165.4	-5.9	0	0	0	112.8	I519 F520 K524 R525 F526	I519-D522 HydrophobicContact CG2-CB 4.2Å; I519-D522 CarbonylContact O-C 3.59Å; I519-D522 PolarHBondContact O-N 3.23Å; I519-D522 VanDerWaalsContact O-N 3.11Å; F520-D522 PolarHBondContact O-N 3.13Å; D522-K524 PolarHBondContact O-N 2.87Å; D522-R525 HydrophobicContact CB-CB 4.22Å; D522-R525 PolarHBondContact O-N 2.85Å; D522-R525 WeakPolarHBondContact OD1-CB 3.4Å; D522-R525 PolarHBondContact OD1-N 2.81Å; D522-R525 WeakPolarHBondContact OD2-CB 3.35Å; D522-R525 VanDerWaalsContact OD2-CD 3.27Å; D522-R525 WeakPolarHBondContact OD2-CD 3.06Å; D522-F526 PolarHBondContact O-N 2.84Å
523	H	96.4	Very high	95.4	Very high	78 Å²	78	39.1 Å²	39.1	36%	0.361	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-30.8	177.2	-169.6	70.1	0	0	0	112.6	S106 G107 T518 R525 F526 V527	S106-H523 PolarHBondContact O-NE2 3.41Å; S106-H523 VanDerWaalsContact O-NE2 3.14Å; G107-H523 PolarHBondContact O-CE1 2.75Å; T518-H523 WeakPolarHBondContact OG1-CA 3.47Å; T518-H523 WeakPolarHBondContact OG1-CB 3.49Å; T518-H523 PolarHBondContact OG1-ND1 3.01Å; H523-R525 PolarHBondContact O-N 2.85Å; H523-F526 AromaticContact CE1-CD1 3.85Å; H523-F526 AromaticContact ND1-CD1 3.96Å; H523-F526 VanDerWaalsContact O-CB 3.29Å; H523-F526 WeakPolarHBondContact O-CB 3.48Å; H523-F526 PolarHBondContact O-N 3.16Å; H523-F526 VanDerWaalsContact O-N 3.12Å; H523-V527 PolarHBondContact O-N 3.01Å
524	K	95.8	Very high	95.2	Very high	137 Å²	137	40.2 Å²	40.2	60%	0.596	22%	0.22	S	C	*	.	H	α-helix	trans	-60.8	-45.7	176.4	176	166	173.2	44.4	0	111.4	D522 F526 V527 D528	D522-K524 PolarHBondContact O-N 2.87Å; K524-F526 PolarHBondContact O-N 3.43Å; K524-V527 PolarHBondContact O-N 3.09Å; K524-D528 WeakPolarHBondContact CE-OD2 3.48Å; K524-D528 VanDerWaalsContact CG-OD2 3.32Å; K524-D528 WeakPolarHBondContact CG-OD2 3.39Å; K524-D528 IonicContact NZ-OD1 3.87Å; K524-D528 PolarHBondContact NZ-OD1 3.34Å; K524-D528 IonicContact NZ-OD2 3.73Å; K524-D528 PolarHBondContact NZ-OD2 3.05Å; K524-D528 WeakPolarHBondContact O-CB 3.34Å; K524-D528 PolarHBondContact O-N 3.12Å
525	R	91.8	Very high	95	Very high	48 Å²	48	44.7 Å²	44.7	18%	0.181	25%	0.249	C	C	.	.	H	α-helix	trans	-63.6	-31.2	175	-175.3	-179.2	-177.2	-160.2	0.9	112.4	T307 K309 K311 I519 D522 H523 A529	T307-R525 PolarHBondContact OG1-NH2 3.06Å; K309-R525 PolarHBondContact O-NH2 2.8Å; K311-R525 VanDerWaalsContact CG-CZ 3.46Å; I519-R525 HydrophobicContact CD1-CB 4.13Å; I519-R525 HydrophobicContact CD1-CG 3.81Å; D522-R525 HydrophobicContact CB-CB 4.22Å; D522-R525 PolarHBondContact O-N 2.85Å; D522-R525 WeakPolarHBondContact OD1-CB 3.4Å; D522-R525 PolarHBondContact OD1-N 2.81Å; D522-R525 WeakPolarHBondContact OD2-CB 3.35Å; D522-R525 VanDerWaalsContact OD2-CD 3.27Å; D522-R525 WeakPolarHBondContact OD2-CD 3.06Å; H523-R525 PolarHBondContact O-N 2.85Å; R525-A529 WeakPolarHBondContact O-CB 3.02Å; R525-A529 PolarHBondContact O-N 3.35Å
526	F	94.1	Very high	94.8	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-51.6	172.3	-177.6	-112.3	0	0	0	110.7	A516 R517 I519 D522 H523 K524 D528 A529 Y530 F531	A516-F526 HydrophobicContact CB-CE2 4.24Å; A516-F526 VanDerWaalsContact O-CZ 3.29Å; A516-F526 WeakPolarHBondContact O-CZ 3.45Å; R517-F526 WeakPolarHBondContact O-CE1 3.47Å; I519-F526 HydrophobicContact CB-CB 4.35Å; I519-F526 HydrophobicContact CD1-CB 4.29Å; I519-F526 HydrophobicContact CG1-CB 4.04Å; I519-F526 HydrophobicContact CG1-CD2 4.22Å; D522-F526 PolarHBondContact O-N 2.84Å; H523-F526 AromaticContact CE1-CD1 3.85Å; H523-F526 AromaticContact ND1-CD1 3.96Å; H523-F526 VanDerWaalsContact O-CB 3.29Å; H523-F526 WeakPolarHBondContact O-CB 3.48Å; H523-F526 PolarHBondContact O-N 3.16Å; H523-F526 VanDerWaalsContact O-N 3.12Å; K524-F526 PolarHBondContact O-N 3.43Å; F526-D528 PolarHBondContact O-N 3.16Å; F526-A529 PolarHBondContact O-N 3.41Å; F526-Y530 AromaticContact CD2-CD2 3.31Å; F526-Y530 HydrophobicContact CD2-CD2 3.31Å; F526-Y530 AromaticContact CD2-CE2 3.54Å; F526-Y530 HydrophobicContact CD2-CE2 3.54Å; F526-Y530 HydrophobicContact CD2-CG 4.45Å; F526-Y530 AromaticContact CE2-CD2 3.62Å; F526-Y530 HydrophobicContact CE2-CD2 3.62Å; F526-Y530 AromaticContact CE2-CE2 3.98Å; F526-Y530 HydrophobicContact CE2-CE2 3.98Å; F526-Y530 HydrophobicContact CE2-CG 4.42Å; F526-Y530 HydrophobicContact CG-CD2 4.07Å; F526-Y530 WeakPolarHBondContact O-CD2 3.32Å; F526-Y530 PolarHBondContact O-N 3.31Å; F526-F531 AromaticContact CD1-CE2 3.84Å; F526-F531 HydrophobicContact CD1-CE2 3.84Å; F526-F531 HydrophobicContact CE1-CD2 4.5Å; F526-F531 AromaticContact CE1-CE2 3.4Å; F526-F531 HydrophobicContact CE1-CE2 3.4Å; F526-F531 AromaticContact CE1-CZ 3.94Å; F526-F531 HydrophobicContact CE1-CZ 3.94Å; F526-F531 HydrophobicContact CE2-CE2 4.4Å; F526-F531 AromaticContact CZ-CE2 3.69Å; F526-F531 HydrophobicContact CZ-CE2 3.69Å; F526-F531 HydrophobicContact CZ-CZ 4.01Å
527	V	96.4	Very high	94.7	Very high	30 Å²	30	47.5 Å²	47.5	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-49.9	177	178.1	0	0	0	0	112	S106 H523 K524 A529 F531 K532	S106-V527 VanDerWaalsContact O-CG2 3.26Å; S106-V527 WeakPolarHBondContact O-CG2 3.48Å; H523-V527 PolarHBondContact O-N 3.01Å; K524-V527 PolarHBondContact O-N 3.09Å; V527-A529 VanDerWaalsContact C-N 3.29Å; V527-A529 PolarHBondContact O-N 3.32Å; V527-F531 PolarHBondContact O-N 3.38Å; V527-K532 PolarHBondContact O-N 3.18Å
528	D	94.1	Very high	94.7	Very high	54 Å²	54	46.6 Å²	46.6	29%	0.289	27%	0.265	S	S	.	.	H	α-helix	trans	-62.6	-34.6	-178.2	-76.4	-37.6	0	0	0	112.2	K524 F526 K532	K524-D528 WeakPolarHBondContact CE-OD2 3.48Å; K524-D528 VanDerWaalsContact CG-OD2 3.32Å; K524-D528 WeakPolarHBondContact CG-OD2 3.39Å; K524-D528 IonicContact NZ-OD1 3.87Å; K524-D528 PolarHBondContact NZ-OD1 3.34Å; K524-D528 IonicContact NZ-OD2 3.73Å; K524-D528 PolarHBondContact NZ-OD2 3.05Å; K524-D528 WeakPolarHBondContact O-CB 3.34Å; K524-D528 PolarHBondContact O-N 3.12Å; F526-D528 PolarHBondContact O-N 3.16Å; D528-K532 WeakPolarHBondContact OD1-CD 3.47Å; D528-K532 IonicContact OD1-NZ 3.79Å; D528-K532 PolarHBondContact OD1-NZ 3.2Å
529	A	89.3	Confident	94.6	Very high	34 Å²	34	46.6 Å²	46.6	28%	0.281	26%	0.263	S	S	.	.	H	α-helix	trans	-81.4	-41.1	-178.4	0	0	0	0	0	113.4	R525 F526 V527	R525-A529 WeakPolarHBondContact O-CB 3.02Å; R525-A529 PolarHBondContact O-N 3.35Å; F526-A529 PolarHBondContact O-N 3.41Å; V527-A529 VanDerWaalsContact C-N 3.29Å; V527-A529 PolarHBondContact O-N 3.32Å
530	Y	94.4	Very high	94.6	Very high	13 Å²	13	46.7 Å²	46.7	5%	0.051	26%	0.263	C	S	.	.	H	α-helix	trans	-109.7	-18.3	-166.1	-57.3	-72.7	0	0	0	114.5	E456 I519 F526 Y538 F539	E456-Y530 HydrophobicContact CG-CE1 3.78Å; E456-Y530 HydrophobicContact CG-CE2 4.42Å; E456-Y530 PolarHBondContact OE1-OH 3.07Å; I519-Y530 HydrophobicContact CD1-CE2 4.27Å; F526-Y530 AromaticContact CD2-CD2 3.31Å; F526-Y530 HydrophobicContact CD2-CD2 3.31Å; F526-Y530 AromaticContact CD2-CE2 3.54Å; F526-Y530 HydrophobicContact CD2-CE2 3.54Å; F526-Y530 HydrophobicContact CD2-CG 4.45Å; F526-Y530 AromaticContact CE2-CD2 3.62Å; F526-Y530 HydrophobicContact CE2-CD2 3.62Å; F526-Y530 AromaticContact CE2-CE2 3.98Å; F526-Y530 HydrophobicContact CE2-CE2 3.98Å; F526-Y530 HydrophobicContact CE2-CG 4.42Å; F526-Y530 HydrophobicContact CG-CD2 4.07Å; F526-Y530 WeakPolarHBondContact O-CD2 3.32Å; F526-Y530 PolarHBondContact O-N 3.31Å; Y530-Y538 HydrophobicContact CD1-CD2 4.49Å; Y530-Y538 AromaticContact CD1-CE2 3.62Å; Y530-Y538 HydrophobicContact CD1-CE2 3.62Å; Y530-Y538 HydrophobicContact CG-CD2 4.41Å; Y530-Y538 AromaticContact CG-CE2 3.82Å; Y530-Y538 HydrophobicContact CG-CE2 3.82Å; Y530-Y538 CarbonylContact O-C 3.52Å; Y530-Y538 WeakPolarHBondContact O-CA 3.5Å; Y530-F539 PolarHBondContact O-N 3.29Å
531	F	95.6	Very high	94.3	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.013	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-31.2	-173.8	-56.2	-84.1	0	0	0	113.4	I104 M515 F526 V527 P533 Y534 P535 Y538	I104-F531 HydrophobicContact CD1-CE1 4.49Å; I104-F531 HydrophobicContact CG1-CD1 3.62Å; I104-F531 HydrophobicContact CG1-CE1 3.66Å; I104-F531 WeakPolarHBondContact O-CD1 3.49Å; I104-F531 WeakPolarHBondContact O-CG 3.45Å; M515-F531 HydrophobicContact CE-CE1 4.09Å; M515-F531 HydrophobicContact CE-CZ 4.05Å; F526-F531 AromaticContact CD1-CE2 3.84Å; F526-F531 HydrophobicContact CD1-CE2 3.84Å; F526-F531 HydrophobicContact CE1-CD2 4.5Å; F526-F531 AromaticContact CE1-CE2 3.4Å; F526-F531 HydrophobicContact CE1-CE2 3.4Å; F526-F531 AromaticContact CE1-CZ 3.94Å; F526-F531 HydrophobicContact CE1-CZ 3.94Å; F526-F531 HydrophobicContact CE2-CE2 4.4Å; F526-F531 AromaticContact CZ-CE2 3.69Å; F526-F531 HydrophobicContact CZ-CE2 3.69Å; F526-F531 HydrophobicContact CZ-CZ 4.01Å; V527-F531 PolarHBondContact O-N 3.38Å; F531-P533 VanDerWaalsContact C-CD 3.5Å; F531-Y534 CarbonylContact O-C 3.58Å; F531-Y534 VanDerWaalsContact O-C 3.25Å; F531-P535 WeakPolarHBondContact O-CA 3.44Å; F531-Y538 HydrophobicContact CE1-CD2 4.14Å; F531-Y538 HydrophobicContact CZ-CD2 4.12Å
532	K	93.7	Very high	94.1	Very high	127 Å²	127	41.7 Å²	41.7	55%	0.552	22%	0.22	S	C	*	.	S	Bend	trans	-65.9	-35.5	177.3	-170.1	175.3	-178.5	-178.4	0	115	V527 D528 Y534	V527-K532 PolarHBondContact O-N 3.18Å; D528-K532 WeakPolarHBondContact OD1-CD 3.47Å; D528-K532 IonicContact OD1-NZ 3.79Å; D528-K532 PolarHBondContact OD1-NZ 3.2Å; K532-Y534 VanDerWaalsContact C-N 3.26Å; K532-Y534 PolarHBondContact O-N 3.43Å
533	P	91.6	Very high	94	Very high	59 Å²	59	38.8 Å²	38.8	38%	0.383	20%	0.204	S	C	.	.	S	Bend	trans	-59.4	-38.3	-180	-27.7	37.8	0	0	0	112.8	F531 F539	F531-P533 VanDerWaalsContact C-CD 3.5Å; P533-F539 HydrophobicContact CB-CB 4.32Å; P533-F539 HydrophobicContact CB-CD1 3.81Å; P533-F539 HydrophobicContact CB-CE1 4.43Å; P533-F539 HydrophobicContact CB-CG 4.22Å; P533-F539 HydrophobicContact CG-CD1 3.89Å
534	Y	94.2	Very high	93.8	Very high	22 Å²	22	35 Å²	35	9%	0.086	19%	0.187	C	C	.	.	S	Bend	trans	-133.9	86.9	177	-64.8	-74	0	0	0	109.3	M490 E491 A505 C507 F531 K532 G536 H537 F539	M490-Y534 HydrophobicContact CB-CD1 3.74Å; M490-Y534 HydrophobicContact CB-CE1 3.53Å; M490-Y534 HydrophobicContact CB-CG 4.36Å; M490-Y534 HydrophobicContact CE-CD1 3.8Å; M490-Y534 HydrophobicContact CE-CG 4.37Å; M490-Y534 HydrophobicContact CG-CD1 3.91Å; M490-Y534 HydrophobicContact CG-CE1 4.22Å; M490-Y534 HydrophobicContact CG-CG 4.16Å; E491-Y534 WeakPolarHBondContact O-CE1 3.46Å; A505-Y534 HydrophobicContact CB-CE2 3.83Å; A505-Y534 VanDerWaalsContact CB-OH 3.31Å; A505-Y534 WeakPolarHBondContact CB-OH 3.48Å; C507-Y534 WeakPolarHBondContact SG-CD2 3.43Å; F531-Y534 CarbonylContact O-C 3.58Å; F531-Y534 VanDerWaalsContact O-C 3.25Å; K532-Y534 VanDerWaalsContact C-N 3.26Å; K532-Y534 PolarHBondContact O-N 3.43Å; Y534-G536 PolarHBondContact O-N 2.94Å; Y534-H537 WeakPolarHBondContact O-CB 3.5Å; Y534-H537 PolarHBondContact O-N 2.86Å; Y534-F539 HydrophobicContact CD2-CB 3.94Å; Y534-F539 HydrophobicContact CD2-CD1 4.5Å; Y534-F539 AromaticContact CD2-CD2 3.59Å; Y534-F539 HydrophobicContact CD2-CD2 3.59Å; Y534-F539 HydrophobicContact CD2-CE2 4.23Å; Y534-F539 AromaticContact CD2-CG 3.74Å; Y534-F539 HydrophobicContact CD2-CG 3.74Å; Y534-F539 AromaticContact CE2-CD2 3.54Å; Y534-F539 HydrophobicContact CE2-CD2 3.54Å; Y534-F539 AromaticContact CE2-CE2 3.69Å; Y534-F539 HydrophobicContact CE2-CE2 3.69Å; Y534-F539 AromaticContact CE2-CG 3.99Å; Y534-F539 HydrophobicContact CE2-CG 3.99Å; Y534-F539 HydrophobicContact CE2-CZ 4.19Å
535	P	93.6	Very high	93.7	Very high	94 Å²	94	31.2 Å²	31.2	61%	0.61	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	139.7	-176.7	-28.3	36.1	0	0	0	112.7	F531 H537	F531-P535 WeakPolarHBondContact O-CA 3.44Å; P535-H537 VanDerWaalsContact C-N 3.27Å; P535-H537 PolarHBondContact O-N 3.36Å; P535-H537 PolarHBondContact O-ND1 3.27Å; P535-H537 VanDerWaalsContact O-ND1 3.14Å
536	G	93.8	Very high	94	Very high	25 Å²	25	30.5 Å²	30.5	26%	0.258	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	0	-175.3	0	0	0	0	0	114.8	I104 Y534	I104-G536 WeakPolarHBondContact CG2-O 3.07Å; Y534-G536 PolarHBondContact O-N 2.94Å
537	H	96.4	Very high	94.1	Very high	36 Å²	36	30.8 Å²	30.8	17%	0.167	17%	0.169	C	C	.	.	S	Bend	trans	-136.1	156.5	-177.4	-57.6	73.5	0	0	0	111.3	C507 Y534 P535	C507-H537 HydrophobicContact CB-CB 3.93Å; Y534-H537 WeakPolarHBondContact O-CB 3.5Å; Y534-H537 PolarHBondContact O-N 2.86Å; P535-H537 VanDerWaalsContact C-N 3.27Å; P535-H537 PolarHBondContact O-N 3.36Å; P535-H537 PolarHBondContact O-ND1 3.27Å; P535-H537 VanDerWaalsContact O-ND1 3.14Å
538	Y	97.4	Very high	94.1	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.5	165	170.1	-99.5	0	0	0	109.6	Q454 E456 T457 C507 I508 W512 M515 Y530 F531 T540	Q454-Y538 PolarHBondContact OE1-OH 3.21Å; E456-Y538 VanDerWaalsContact CB-OH 3.24Å; E456-Y538 WeakPolarHBondContact CB-OH 3.08Å; T457-Y538 HydrophobicContact CG2-CE1 4.43Å; C507-Y538 CarbonylContact C-O 3.59Å; C507-Y538 WeakPolarHBondContact CA-O 3.34Å; C507-Y538 WeakPolarHBondContact CB-O 3.15Å; I508-Y538 HydrophobicContact CB-CD1 4.33Å; I508-Y538 HydrophobicContact CD1-CD1 4.04Å; I508-Y538 HydrophobicContact CD1-CE1 4.43Å; I508-Y538 HydrophobicContact CG1-CD1 4.32Å; I508-Y538 PolarHBondContact N-O 3.4Å; I508-Y538 PolarHBondContact O-N 2.78Å; W512-Y538 AromaticContact CH2-CD1 3.79Å; W512-Y538 HydrophobicContact CH2-CD1 3.79Å; W512-Y538 HydrophobicContact CH2-CE1 4.11Å; W512-Y538 HydrophobicContact CH2-CG 4.2Å; W512-Y538 HydrophobicContact CZ3-CD1 4.4Å; M515-Y538 HydrophobicContact CE-CD1 3.95Å; M515-Y538 HydrophobicContact CE-CD2 3.12Å; M515-Y538 HydrophobicContact CE-CE2 3.8Å; M515-Y538 HydrophobicContact CE-CG 3.19Å; Y530-Y538 HydrophobicContact CD1-CD2 4.49Å; Y530-Y538 AromaticContact CD1-CE2 3.62Å; Y530-Y538 HydrophobicContact CD1-CE2 3.62Å; Y530-Y538 HydrophobicContact CG-CD2 4.41Å; Y530-Y538 AromaticContact CG-CE2 3.82Å; Y530-Y538 HydrophobicContact CG-CE2 3.82Å; Y530-Y538 CarbonylContact O-C 3.52Å; Y530-Y538 WeakPolarHBondContact O-CA 3.5Å; F531-Y538 HydrophobicContact CE1-CD2 4.14Å; F531-Y538 HydrophobicContact CZ-CD2 4.12Å; Y538-T540 HydrophobicContact CD1-CG2 4.04Å; Y538-T540 HydrophobicContact CE1-CG2 3.87Å
539	F	96.4	Very high	94.2	Very high	29 Å²	29	39.3 Å²	39.3	13%	0.127	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	123.9	173	-179	-134.4	0	0	0	110.8	A505 Y530 P533 Y534 M558	A505-F539 HydrophobicContact CB-CE2 4Å; Y530-F539 PolarHBondContact O-N 3.29Å; P533-F539 HydrophobicContact CB-CB 4.32Å; P533-F539 HydrophobicContact CB-CD1 3.81Å; P533-F539 HydrophobicContact CB-CE1 4.43Å; P533-F539 HydrophobicContact CB-CG 4.22Å; P533-F539 HydrophobicContact CG-CD1 3.89Å; Y534-F539 HydrophobicContact CD2-CB 3.94Å; Y534-F539 HydrophobicContact CD2-CD1 4.5Å; Y534-F539 AromaticContact CD2-CD2 3.59Å; Y534-F539 HydrophobicContact CD2-CD2 3.59Å; Y534-F539 HydrophobicContact CD2-CE2 4.23Å; Y534-F539 AromaticContact CD2-CG 3.74Å; Y534-F539 HydrophobicContact CD2-CG 3.74Å; Y534-F539 AromaticContact CE2-CD2 3.54Å; Y534-F539 HydrophobicContact CE2-CD2 3.54Å; Y534-F539 AromaticContact CE2-CE2 3.69Å; Y534-F539 HydrophobicContact CE2-CE2 3.69Å; Y534-F539 AromaticContact CE2-CG 3.99Å; Y534-F539 HydrophobicContact CE2-CG 3.99Å; Y534-F539 HydrophobicContact CE2-CZ 4.19Å; F539-M558 HydrophobicContact CE2-CG 4.3Å; F539-M558 HydrophobicContact CZ-CB 4.23Å; F539-M558 HydrophobicContact CZ-CG 4.14Å
540	T	95.2	Very high	94.5	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.025	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-22.8	-177.6	72.2	0	0	0	0	111.7	W452 Q454 L506 I508 Y538 D542 R557	W452-T540 HydrophobicContact CH2-CG2 3.5Å; W452-T540 HydrophobicContact CZ2-CG2 3.87Å; Q454-T540 PolarHBondContact NE2-O 3.44Å; L506-T540 HydrophobicContact CB-CG2 4.49Å; L506-T540 HydrophobicContact CD2-CG2 4.35Å; L506-T540 HydrophobicContact CG-CG2 4.06Å; L506-T540 WeakPolarHBondContact O-CG2 3.49Å; L506-T540 PolarHBondContact O-N 3.18Å; L506-T540 PolarHBondContact O-OG1 3.45Å; I508-T540 HydrophobicContact CD1-CG2 4.45Å; I508-T540 HydrophobicContact CG1-CG2 4.35Å; Y538-T540 HydrophobicContact CD1-CG2 4.04Å; Y538-T540 HydrophobicContact CE1-CG2 3.87Å; T540-D542 WeakPolarHBondContact OG1-CB 3.4Å; T540-D542 PolarHBondContact OG1-N 3.13Å; T540-R557 PolarHBondContact O-NH1 2.91Å; T540-R557 VanDerWaalsContact O-NH1 3.13Å
541	G	91.4	Very high	94.6	Very high	3 Å²	3	40 Å²	40	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.2	4.2	-167.9	0	0	0	0	0	114.1	M558	G541-M558 PolarHBondContact O-N 3.24Å
542	D	90.8	Very high	94.7	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	151.7	177.2	-63.5	-50.5	0	0	0	110.9	W452 Q454 L506 T540 I554 G556 R557 M558	W452-D542 HydrophobicContact CZ2-CB 4.49Å; W452-D542 WeakPolarHBondContact CZ2-OD2 3.36Å; W452-D542 PolarHBondContact NE1-OD2 3.14Å; W452-D542 VanDerWaalsContact NE1-OD2 3.12Å; Q454-D542 PolarHBondContact NE2-OD2 2.82Å; L506-D542 WeakPolarHBondContact CB-O 3.32Å; L506-D542 PolarHBondContact N-O 3.07Å; T540-D542 WeakPolarHBondContact OG1-CB 3.4Å; T540-D542 PolarHBondContact OG1-N 3.13Å; D542-I554 HydrophobicContact CB-CG2 4.33Å; D542-G556 CarbonylContact C-O 3.25Å; D542-G556 WeakPolarHBondContact CA-O 3.48Å; D542-R557 WeakPolarHBondContact OD1-CD 3.34Å; D542-R557 IonicContact OD1-NH1 3.69Å; D542-M558 VanDerWaalsContact C-CG 3.49Å
543	G	91.1	Very high	94.7	Very high	1 Å²	1	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	152.9	166.8	0	0	0	0	0	110.5	G504 T555 G556 M558	G504-G543 WeakPolarHBondContact O-CA 3.33Å; G543-T555 WeakPolarHBondContact CA-OG1 3.33Å; G543-T555 PolarHBondContact O-N 3.46Å; G543-T555 PolarHBondContact O-OG1 3.07Å; G543-G556 PolarHBondContact N-O 2.9Å; G543-M558 VanDerWaalsContact CA-SD 3.56Å
544	A	93.9	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	151.2	173.7	0	0	0	0	0	112.5	L489 S503 G504 L506 Q553 I554	L489-A544 HydrophobicContact CD2-CB 3.78Å; S503-A544 WeakPolarHBondContact CA-O 3.39Å; G504-A544 PolarHBondContact N-O 3.15Å; G504-A544 PolarHBondContact O-N 2.88Å; L506-A544 HydrophobicContact CB-CB 4.03Å; L506-A544 HydrophobicContact CD1-CB 4.14Å; L506-A544 HydrophobicContact CD2-CB 4.2Å; L506-A544 HydrophobicContact CG-CB 4.35Å; A544-Q553 CarbonylContact C-O 3.47Å; A544-Q553 WeakPolarHBondContact CA-O 3.47Å; A544-Q553 VanDerWaalsContact CB-O 3.28Å; A544-Q553 WeakPolarHBondContact CB-O 3.37Å; A544-I554 HydrophobicContact CB-CD1 4.27Å
545	Y	93.4	Very high	94	Very high	57 Å²	57	37.1 Å²	37.1	22%	0.224	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.5	167.5	168.2	-115.6	0	0	0	109.1	D501 V502 S503 Y552 Q553	D501-Y545 WeakPolarHBondContact OD1-CE2 3.38Å; D501-Y545 PolarHBondContact OD1-OH 2.84Å; V502-Y545 WeakPolarHBondContact O-CA 3.45Å; V502-Y545 WeakPolarHBondContact O-CD2 3.48Å; S503-Y545 WeakPolarHBondContact OG-CD2 3.02Å; Y545-Y552 CarbonylContact O-C 3.55Å; Y545-Y552 WeakPolarHBondContact O-CA 3.49Å; Y545-Q553 HydrophobicContact CD1-CB 4.44Å; Y545-Q553 PolarHBondContact N-O 3.14Å; Y545-Q553 PolarHBondContact O-N 3.02Å
546	R	97.6	Very high	93.1	Very high	32 Å²	32	33.3 Å²	33.3	12%	0.121	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.9	170.3	178.9	166	64	-149.5	-5.2	108.9	L489 I497 G499 N500 D501 V502 Y551 Y552	L489-R546 HydrophobicContact CD1-CB 3.68Å; I497-R546 PolarHBondContact O-NH2 3.16Å; G499-R546 PolarHBondContact O-NE 2.69Å; G499-R546 PolarHBondContact O-NH2 3.17Å; N500-R546 PolarHBondContact OD1-NE 3.36Å; D501-R546 WeakPolarHBondContact CA-O 3.27Å; D501-R546 PolarHBondContact N-O 3.23Å; V502-R546 HydrophobicContact CG2-CB 4.31Å; V502-R546 PolarHBondContact N-O 3.32Å; V502-R546 VanDerWaalsContact N-O 3.13Å; V502-R546 PolarHBondContact O-N 3.1Å; R546-Y551 CarbonylContact C-O 3.52Å; R546-Y551 VanDerWaalsContact CA-O 3.28Å; R546-Y551 WeakPolarHBondContact CA-O 3.16Å; R546-Y552 HydrophobicContact CB-CD1 4.48Å; R546-Y552 HydrophobicContact CB-CE1 4.29Å; R546-Y552 PolarHBondContact NH1-OH 3.28Å; R546-Y552 VanDerWaalsContact NH1-OH 3.1Å
547	S	96.7	Very high	92.4	Very high	8 Å²	8	36.1 Å²	36.1	6%	0.056	17%	0.172	C	C	.	.			trans	-67.4	173.7	-178.5	81.4	0	0	0	0	113.1	N500 D501 E549 G550 Y551	N500-S547 WeakPolarHBondContact CB-O 3.5Å; D501-S547 PolarHBondContact N-O 2.83Å; S547-E549 WeakPolarHBondContact CB-OE2 3.4Å; S547-E549 PolarHBondContact O-N 3.49Å; S547-E549 PolarHBondContact OG-N 3.31Å; S547-E549 PolarHBondContact OG-OE2 2.95Å; S547-G550 WeakPolarHBondContact O-CA 3.35Å; S547-G550 PolarHBondContact O-N 2.58Å; S547-Y551 PolarHBondContact N-O 3.13Å; S547-Y551 PolarHBondContact OG-N 2.85Å
548	K	96.4	Very high	91.4	Very high	137 Å²	137	35.9 Å²	35.9	60%	0.596	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.6	174.2	-70.1	178.8	-177	175.6	0	113	N500 D501 G550	N500-K548 PolarHBondContact ND2-O 2.78Å; D501-K548 HydrophobicContact CB-CG 3.95Å; D501-K548 WeakPolarHBondContact OD2-CE 3.28Å; K548-G550 VanDerWaalsContact C-N 3.31Å
549	E	94.9	Very high	90.1	Very high	126 Å²	126	41 Å²	41	59%	0.589	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-6.9	177.8	-55.8	68.5	-145.4	0	0	112.4	S547 Y551	S547-E549 WeakPolarHBondContact CB-OE2 3.4Å; S547-E549 PolarHBondContact O-N 3.49Å; S547-E549 PolarHBondContact OG-N 3.31Å; S547-E549 PolarHBondContact OG-OE2 2.95Å; E549-Y551 HydrophobicContact CB-CD2 3.99Å; E549-Y551 HydrophobicContact CB-CE2 3.9Å; E549-Y551 HydrophobicContact CB-CG 4.47Å; E549-Y551 HydrophobicContact CG-CE2 4.38Å
550	G	95.6	Very high	88.6	Confident	21 Å²	21	41 Å²	41	22%	0.216	20%	0.2	C	C	.	.			trans	87.6	11.4	-179	0	0	0	0	0	114.5	S547 K548 Y552	S547-G550 WeakPolarHBondContact O-CA 3.35Å; S547-G550 PolarHBondContact O-N 2.58Å; K548-G550 VanDerWaalsContact C-N 3.31Å; G550-Y552 WeakPolarHBondContact O-CE2 3.4Å
551	Y	97.1	Very high	87.3	Confident	39 Å²	39	41.8 Å²	41.8	15%	0.153	21%	0.205	C	C	.	.			trans	-76.9	145.1	176.1	-62.6	-34	0	0	0	111.6	V474 M477 M479 R480 R546 S547 E549	V474-Y551 HydrophobicContact CG2-CD2 4.12Å; V474-Y551 HydrophobicContact CG2-CE2 4.13Å; M477-Y551 VanDerWaalsContact CE-C 3.49Å; M477-Y551 WeakPolarHBondContact CE-O 3.35Å; M477-Y551 VanDerWaalsContact SD-CB 3.55Å; M477-Y551 HydrophobicContact SD-CD2 4.38Å; M477-Y551 HydrophobicContact SD-CG 4.39Å; M479-Y551 HydrophobicContact CB-CD1 4.09Å; M479-Y551 HydrophobicContact CB-CG 4.2Å; M479-Y551 HydrophobicContact CE-CD1 3.88Å; M479-Y551 HydrophobicContact CE-CD2 3.5Å; M479-Y551 VanDerWaalsContact CE-CD2 3.5Å; M479-Y551 HydrophobicContact CE-CE1 3.73Å; M479-Y551 HydrophobicContact CE-CE2 3.31Å; M479-Y551 HydrophobicContact CE-CG 3.79Å; M479-Y551 VanDerWaalsContact CE-CZ 3.44Å; M479-Y551 HydrophobicContact CG-CG 4.39Å; R480-Y551 HydrophobicContact CG-CD1 4.12Å; R480-Y551 HydrophobicContact CG-CE1 4.08Å; R480-Y551 VanDerWaalsContact NH2-CZ 3.35Å; R480-Y551 PolarHBondContact NH2-OH 2.98Å; R546-Y551 CarbonylContact C-O 3.52Å; R546-Y551 VanDerWaalsContact CA-O 3.28Å; R546-Y551 WeakPolarHBondContact CA-O 3.16Å; S547-Y551 PolarHBondContact N-O 3.13Å; S547-Y551 PolarHBondContact OG-N 2.85Å; E549-Y551 HydrophobicContact CB-CD2 3.99Å; E549-Y551 HydrophobicContact CB-CE2 3.9Å; E549-Y551 HydrophobicContact CB-CG 4.47Å; E549-Y551 HydrophobicContact CG-CE2 4.38Å
552	Y	96.9	Very high	86.6	Confident	16 Å²	16	41.6 Å²	41.6	6%	0.063	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.3	-179.3	-69.2	-97.4	0	0	0	111.6	I462 M477 A478 M479 P487 L489 L506 Y545 R546 G550	I462-Y552 HydrophobicContact CD1-CG 4.38Å; M477-Y552 WeakPolarHBondContact CG-O 3.34Å; A478-Y552 PolarHBondContact N-O 3.07Å; M479-Y552 PolarHBondContact N-O 3.47Å; M479-Y552 PolarHBondContact O-N 2.74Å; P487-Y552 HydrophobicContact CB-CD1 4.22Å; P487-Y552 HydrophobicContact CB-CE1 3.63Å; P487-Y552 HydrophobicContact CB-CE2 4.23Å; P487-Y552 HydrophobicContact CG-CD2 4.49Å; P487-Y552 HydrophobicContact CG-CE1 4.35Å; P487-Y552 HydrophobicContact CG-CE2 4.09Å; P487-Y552 PolarHBondContact O-OH 3.35Å; P487-Y552 VanDerWaalsContact O-OH 3.05Å; L489-Y552 HydrophobicContact CD2-CD1 4.45Å; L489-Y552 HydrophobicContact CD2-CE1 4.22Å; L489-Y552 HydrophobicContact CG-CE1 4.25Å; L506-Y552 HydrophobicContact CD1-CD1 4.35Å; L506-Y552 HydrophobicContact CD1-CE1 4.47Å; Y545-Y552 CarbonylContact O-C 3.55Å; Y545-Y552 WeakPolarHBondContact O-CA 3.49Å; R546-Y552 HydrophobicContact CB-CD1 4.48Å; R546-Y552 HydrophobicContact CB-CE1 4.29Å; R546-Y552 PolarHBondContact NH1-OH 3.28Å; R546-Y552 VanDerWaalsContact NH1-OH 3.1Å; G550-Y552 WeakPolarHBondContact O-CE2 3.4Å
553	Q	93.3	Very high	85.4	Confident	73 Å²	73	43.7 Å²	43.7	34%	0.341	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.5	168.6	-170.7	177.4	7.3	0	0	108.8	M477 A544 Y545	M477-Q553 HydrophobicContact CE-CB 3.75Å; M477-Q553 HydrophobicContact CG-CB 3.94Å; M477-Q553 HydrophobicContact CG-CG 4.37Å; A544-Q553 CarbonylContact C-O 3.47Å; A544-Q553 WeakPolarHBondContact CA-O 3.47Å; A544-Q553 VanDerWaalsContact CB-O 3.28Å; A544-Q553 WeakPolarHBondContact CB-O 3.37Å; Y545-Q553 HydrophobicContact CD1-CB 4.44Å; Y545-Q553 PolarHBondContact N-O 3.14Å; Y545-Q553 PolarHBondContact O-N 3.02Å
554	I	89	Confident	84.5	Confident	23 Å²	23	43.8 Å²	43.8	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	120.5	-179.7	-51.5	-62.8	0	0	0	108.4	W452 A478 L506 D542 A544 G556	W452-I554 HydrophobicContact CB-CD1 4.16Å; W452-I554 HydrophobicContact CB-CG1 3.8Å; W452-I554 VanDerWaalsContact CD1-CG1 3.45Å; W452-I554 HydrophobicContact CD2-CD1 3.77Å; W452-I554 HydrophobicContact CD2-CG1 4.27Å; W452-I554 HydrophobicContact CE3-CD1 4.46Å; W452-I554 HydrophobicContact CG-CD1 3.58Å; W452-I554 HydrophobicContact CG-CG1 3.53Å; A478-I554 HydrophobicContact CB-CG1 4.3Å; L506-I554 HydrophobicContact CD2-CD1 3.71Å; D542-I554 HydrophobicContact CB-CG2 4.33Å; A544-I554 HydrophobicContact CB-CD1 4.27Å; I554-G556 VanDerWaalsContact C-N 3.34Å
555	T	82.1	Confident	82.8	Confident	40 Å²	40	47.3 Å²	47.3	25%	0.245	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-0.7	-175.4	62.2	0	0	0	0	112.9	G543	G543-T555 WeakPolarHBondContact CA-OG1 3.33Å; G543-T555 PolarHBondContact O-N 3.46Å; G543-T555 PolarHBondContact O-OG1 3.07Å
556	G	74.9	Confident	80.4	Confident	13 Å²	13	47.5 Å²	47.5	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-173.4	-179.9	0	0	0	0	0	113.6	D542 G543 I554	D542-G556 CarbonylContact C-O 3.25Å; D542-G556 WeakPolarHBondContact CA-O 3.48Å; G543-G556 PolarHBondContact N-O 2.9Å; I554-G556 VanDerWaalsContact C-N 3.34Å
557	R	80.1	Confident	77.9	Confident	85 Å²	85	50.3 Å²	50.3	32%	0.321	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.8	-179.5	-69.8	-68	-66.3	173.7	9.2	110.6	T540 D542 D559 D560 V561	T540-R557 PolarHBondContact O-NH1 2.91Å; T540-R557 VanDerWaalsContact O-NH1 3.13Å; D542-R557 WeakPolarHBondContact OD1-CD 3.34Å; D542-R557 IonicContact OD1-NH1 3.69Å; R557-D559 IonicContact CZ-OD2 3.23Å; R557-D559 IonicContact NE-OD2 3.76Å; R557-D559 IonicContact NH2-OD2 3.2Å; R557-D559 PolarHBondContact NH2-OD2 3.26Å; R557-D559 PolarHBondContact O-N 3.42Å; R557-D560 HydrophobicContact CB-CB 4.1Å; R557-D560 CarbonylContact O-C 3.53Å; R557-D560 WeakPolarHBondContact O-CA 3.33Å; R557-D560 WeakPolarHBondContact O-CB 3.16Å; R557-D560 PolarHBondContact O-N 3.4Å; R557-V561 PolarHBondContact O-N 3.13Å
558	M	76.1	Confident	76	Confident	30 Å²	30	55.3 Å²	55.3	15%	0.148	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-63.2	-30.7	174.2	-71.3	-62.8	-66.7	0	0	112.4	A505 F539 G541 D542 G543 D560 V561 R568	A505-M558 HydrophobicContact CB-CE 4.09Å; A505-M558 HydrophobicContact CB-SD 4.41Å; F539-M558 HydrophobicContact CE2-CG 4.3Å; F539-M558 HydrophobicContact CZ-CB 4.23Å; F539-M558 HydrophobicContact CZ-CG 4.14Å; G541-M558 PolarHBondContact O-N 3.24Å; D542-M558 VanDerWaalsContact C-CG 3.49Å; G543-M558 VanDerWaalsContact CA-SD 3.56Å; M558-D560 PolarHBondContact O-N 3.25Å; M558-V561 WeakPolarHBondContact O-CB 3.49Å; M558-V561 PolarHBondContact O-N 2.78Å; M558-V561 HydrophobicContact SD-CG2 3.94Å; M558-R568 VanDerWaalsContact CE-NH2 3.29Å
559	D	68.6	Low	74.4	Confident	109 Å²	109	49 Å²	49	58%	0.583	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-67	-17.8	173.1	-51.7	-44	0	0	0	112.4	R557 R659	R557-D559 IonicContact CZ-OD2 3.23Å; R557-D559 IonicContact NE-OD2 3.76Å; R557-D559 IonicContact NH2-OD2 3.2Å; R557-D559 PolarHBondContact NH2-OD2 3.26Å; R557-D559 PolarHBondContact O-N 3.42Å; D559-R659 PolarHBondContact O-NH2 2.58Å; D559-R659 VanDerWaalsContact O-NH2 3.14Å
560	D	66.3	Low	73	Confident	28 Å²	28	43.4 Å²	43.4	15%	0.15	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-103	-3.6	177	-67.1	-37.5	0	0	0	112.5	R557 M558 I562 T571 R659	R557-D560 HydrophobicContact CB-CB 4.1Å; R557-D560 CarbonylContact O-C 3.53Å; R557-D560 WeakPolarHBondContact O-CA 3.33Å; R557-D560 WeakPolarHBondContact O-CB 3.16Å; R557-D560 PolarHBondContact O-N 3.4Å; M558-D560 PolarHBondContact O-N 3.25Å; D560-I562 PolarHBondContact O-N 3.02Å; D560-T571 HydrophobicContact CB-CG2 4.29Å; D560-T571 WeakPolarHBondContact O-CG2 3.2Å; D560-R659 IonicContact OD1-NH2 3.55Å; D560-R659 PolarHBondContact OD1-NH2 2.62Å
561	V	67.8	Low	72.3	Confident	21 Å²	21	42.7 Å²	42.7	13%	0.127	23%	0.231	C	C	.	.			trans	-66.3	131.2	172.9	171.1	0	0	0	0	109.8	R557 M558 R568 L569	R557-V561 PolarHBondContact O-N 3.13Å; M558-V561 WeakPolarHBondContact O-CB 3.49Å; M558-V561 PolarHBondContact O-N 2.78Å; M558-V561 HydrophobicContact SD-CG2 3.94Å; V561-R568 HydrophobicContact CG1-CB 3.87Å; V561-R568 HydrophobicContact CG1-CG 4.46Å; V561-L569 WeakPolarHBondContact CA-O 3.45Å
562	I	75.4	Confident	71.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	128.2	-179.3	-47.4	179.8	0	0	0	108.7	D560 I564 R568 L569 T571 I574 V589 I590 E599 P601	D560-I562 PolarHBondContact O-N 3.02Å; I562-I564 HydrophobicContact CB-CG1 4.42Å; I562-I564 HydrophobicContact CG2-CD1 4.21Å; I562-I564 HydrophobicContact CG2-CG1 3.68Å; I562-R568 WeakPolarHBondContact O-CA 3Å; I562-L569 PolarHBondContact N-O 2.88Å; I562-L569 PolarHBondContact O-N 3.04Å; I562-T571 HydrophobicContact CD1-CG2 3.88Å; I562-T571 HydrophobicContact CG1-CG2 4.04Å; I562-I574 HydrophobicContact CD1-CD1 4.12Å; I562-V589 HydrophobicContact CD1-CG1 3.9Å; I562-I590 VanDerWaalsContact CD1-C 3.49Å; I562-I590 WeakPolarHBondContact CD1-O 3.34Å; I562-E599 WeakPolarHBondContact CA-OE2 3.5Å; I562-E599 HydrophobicContact CG2-CB 3.78Å; I562-P601 HydrophobicContact CD1-CB 3.81Å; I562-P601 HydrophobicContact CD1-CG 4.14Å
563	N	65.9	Low	69.8	Low	59 Å²	59	45.2 Å²	45.2	32%	0.316	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	100.5	175.5	-171.6	-14	0	0	0	111.4	G566 H567 E599	N563-G566 WeakPolarHBondContact OD1-CA 3.27Å; N563-G566 PolarHBondContact OD1-N 3.16Å; N563-G566 VanDerWaalsContact OD1-N 3.07Å; N563-H567 WeakPolarHBondContact CA-O 3.24Å; N563-E599 PolarHBondContact N-OE2 2.59Å; N563-E599 WeakPolarHBondContact O-CB 3.38Å; N563-E599 PolarHBondContact O-N 2.9Å; N563-E599 VanDerWaalsContact O-N 3.08Å
564	I	71.4	Confident	69.2	Low	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	101.6	-175.9	-46	163.8	0	0	0	108.9	I562 G566 H567 L569 K597 P601	I562-I564 HydrophobicContact CB-CG1 4.42Å; I562-I564 HydrophobicContact CG2-CD1 4.21Å; I562-I564 HydrophobicContact CG2-CG1 3.68Å; I564-G566 PolarHBondContact O-N 2.9Å; I564-H567 PolarHBondContact N-O 3.31Å; I564-H567 WeakPolarHBondContact O-CB 3.43Å; I564-H567 PolarHBondContact O-N 2.82Å; I564-H567 PolarHBondContact O-ND1 3.35Å; I564-L569 HydrophobicContact CD1-CD2 4.3Å; I564-K597 HydrophobicContact CG2-CB 4.38Å; I564-K597 HydrophobicContact CG2-CD 4.41Å; I564-P601 HydrophobicContact CD1-CG 3.53Å; I564-P601 HydrophobicContact CG1-CG 4.45Å
565	S	58.8	Low	69	Low	74 Å²	74	41.4 Å²	41.4	52%	0.517	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	40.7	179.3	-51.1	0	0	0	0	112.8	H567 K597	S565-H567 PolarHBondContact O-ND1 2.76Å; S565-K597 PolarHBondContact N-O 2.81Å
566	G	42.5	Very low	68.7	Low	62 Å²	62	42.4 Å²	42.4	64%	0.639	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.1	-7.4	-178.3	0	0	0	0	0	115.2	N563 I564	N563-G566 WeakPolarHBondContact OD1-CA 3.27Å; N563-G566 PolarHBondContact OD1-N 3.16Å; N563-G566 VanDerWaalsContact OD1-N 3.07Å; I564-G566 PolarHBondContact O-N 2.9Å
567	H	46.5	Very low	68.8	Low	90 Å²	90	42 Å²	42	42%	0.417	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121	175.7	-57.4	79.2	0	0	0	109.6	N563 I564 S565 Y633	N563-H567 WeakPolarHBondContact CA-O 3.24Å; I564-H567 PolarHBondContact N-O 3.31Å; I564-H567 WeakPolarHBondContact O-CB 3.43Å; I564-H567 PolarHBondContact O-N 2.82Å; I564-H567 PolarHBondContact O-ND1 3.35Å; S565-H567 PolarHBondContact O-ND1 2.76Å; H567-Y633 HydrophobicContact CB-CD2 4.07Å; H567-Y633 HydrophobicContact CB-CE2 3.75Å; H567-Y633 AromaticContact CD2-CE1 3.96Å; H567-Y633 AromaticContact CD2-CZ 3.85Å
568	R	56.2	Low	69.3	Low	113 Å²	113	38 Å²	38	43%	0.426	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.9	178.4	-63	-171.1	75.3	141.4	3.8	109.6	E492 M558 V561 I562	E492-R568 IonicContact OE1-NH1 2.63Å; E492-R568 IonicContact OE2-NH1 3.58Å; E492-R568 PolarHBondContact OE2-NH1 3.5Å; M558-R568 VanDerWaalsContact CE-NH2 3.29Å; V561-R568 HydrophobicContact CG1-CB 3.87Å; V561-R568 HydrophobicContact CG1-CG 4.46Å; I562-R568 WeakPolarHBondContact O-CA 3Å
569	L	62.8	Low	69.7	Low	5 Å²	5	37.6 Å²	37.6	3%	0.026	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.2	-176.1	-161.2	65	0	0	0	110.3	V561 I562 I564 E573 I574 I630 A634	V561-L569 WeakPolarHBondContact CA-O 3.45Å; I562-L569 PolarHBondContact N-O 2.88Å; I562-L569 PolarHBondContact O-N 3.04Å; I564-L569 HydrophobicContact CD1-CD2 4.3Å; L569-E573 WeakPolarHBondContact CD1-OE2 3.34Å; L569-I574 HydrophobicContact CD2-CD1 3.54Å; L569-I574 HydrophobicContact CD2-CG1 3.48Å; L569-I574 VanDerWaalsContact CD2-CG1 3.48Å; L569-I574 HydrophobicContact CG-CD1 4.13Å; L569-I574 HydrophobicContact CG-CG1 4Å; L569-I630 HydrophobicContact CD1-CG2 3.9Å; L569-I630 HydrophobicContact CD2-CG2 4.22Å; L569-A634 HydrophobicContact CD2-CB 3.35Å
570	G	65.3	Low	70.4	Confident	9 Å²	9	37.8 Å²	37.8	9%	0.093	21%	0.209	C	C	.	.			trans	-70.2	141	171.8	0	0	0	0	0	109.9	A572 E573	G570-A572 PolarHBondContact O-N 3.05Å; G570-E573 PolarHBondContact O-N 3.14Å
571	T	81.7	Confident	71.5	Confident	5 Å²	5	37.4 Å²	37.4	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-61.3	-33.9	174.9	51	0	0	0	0	111.9	D560 I562 E573 I574 E575 V589	D560-T571 HydrophobicContact CB-CG2 4.29Å; D560-T571 WeakPolarHBondContact O-CG2 3.2Å; I562-T571 HydrophobicContact CD1-CG2 3.88Å; I562-T571 HydrophobicContact CG1-CG2 4.04Å; T571-E573 VanDerWaalsContact C-N 3.28Å; T571-E573 PolarHBondContact O-N 3.38Å; T571-I574 PolarHBondContact O-N 2.81Å; T571-E575 WeakPolarHBondContact O-CB 3.35Å; T571-E575 WeakPolarHBondContact O-CG 3.47Å; T571-E575 PolarHBondContact O-N 2.77Å; T571-V589 HydrophobicContact CG2-CB 4.29Å; T571-V589 HydrophobicContact CG2-CG1 4.36Å; T571-V589 WeakPolarHBondContact CG2-O 3.39Å
572	A	71.3	Confident	72.4	Confident	14 Å²	14	41.3 Å²	41.3	12%	0.116	23%	0.232	C	C	.	.	H	α-helix	trans	-58.7	-38.9	179.7	0	0	0	0	0	112.2	G570 I574 E575 D576	G570-A572 PolarHBondContact O-N 3.05Å; A572-I574 PolarHBondContact O-N 3.04Å; A572-E575 PolarHBondContact O-N 2.84Å; A572-D576 WeakPolarHBondContact O-CB 3.23Å; A572-D576 VanDerWaalsContact O-CG 3.26Å; A572-D576 PolarHBondContact O-N 3.11Å
573	E	69.6	Low	73.1	Confident	94 Å²	94	41.8 Å²	41.8	44%	0.439	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-42	179.8	-166.3	-177.4	162.8	0	0	111.7	L569 G570 T571 A577 I630	L569-E573 WeakPolarHBondContact CD1-OE2 3.34Å; G570-E573 PolarHBondContact O-N 3.14Å; T571-E573 VanDerWaalsContact C-N 3.28Å; T571-E573 PolarHBondContact O-N 3.38Å; E573-A577 PolarHBondContact O-N 3.2Å; E573-I630 HydrophobicContact CB-CD1 4.42Å; E573-I630 HydrophobicContact CG-CD1 3.88Å; E573-I630 HydrophobicContact CG-CG1 4.22Å; E573-I630 WeakPolarHBondContact O-CD1 3.41Å
574	I	79.9	Confident	74.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-42.7	176.3	-50.8	169.5	0	0	0	110.3	I562 L569 T571 A572 A577 L578 V589 P601 V626 I630 P636	I562-I574 HydrophobicContact CD1-CD1 4.12Å; L569-I574 HydrophobicContact CD2-CD1 3.54Å; L569-I574 HydrophobicContact CD2-CG1 3.48Å; L569-I574 VanDerWaalsContact CD2-CG1 3.48Å; L569-I574 HydrophobicContact CG-CD1 4.13Å; L569-I574 HydrophobicContact CG-CG1 4Å; T571-I574 PolarHBondContact O-N 2.81Å; A572-I574 PolarHBondContact O-N 3.04Å; I574-A577 PolarHBondContact O-N 3.48Å; I574-L578 HydrophobicContact CG2-CD1 4.03Å; I574-L578 HydrophobicContact CG2-CG 4.46Å; I574-L578 WeakPolarHBondContact O-CG 3.39Å; I574-L578 PolarHBondContact O-N 3.04Å; I574-L578 VanDerWaalsContact O-N 3.09Å; I574-V589 HydrophobicContact CB-CG1 4.36Å; I574-V589 HydrophobicContact CB-CG2 4.16Å; I574-V589 HydrophobicContact CD1-CG1 3.9Å; I574-V589 HydrophobicContact CG2-CG1 4.28Å; I574-V589 HydrophobicContact CG2-CG2 3.88Å; I574-P601 HydrophobicContact CD1-CB 3.88Å; I574-P601 HydrophobicContact CD1-CG 3.81Å; I574-V626 HydrophobicContact CG2-CG1 4.44Å; I574-V626 HydrophobicContact CG2-CG2 4.31Å; I574-I630 HydrophobicContact CB-CD1 4.42Å; I574-I630 HydrophobicContact CG1-CD1 4.18Å; I574-P636 HydrophobicContact CG2-CG 4.01Å
575	E	86.3	Confident	74.8	Confident	16 Å²	16	40.6 Å²	40.6	8%	0.075	23%	0.232	C	C	.	.	H	α-helix	trans	-60	-47.2	177.5	-70.6	164.3	179.5	0	0	110.9	T571 A572 A577 L578 D579 T587 A588 V589 R655	T571-E575 WeakPolarHBondContact O-CB 3.35Å; T571-E575 WeakPolarHBondContact O-CG 3.47Å; T571-E575 PolarHBondContact O-N 2.77Å; A572-E575 PolarHBondContact O-N 2.84Å; E575-A577 VanDerWaalsContact C-N 3.35Å; E575-A577 PolarHBondContact O-N 2.95Å; E575-L578 PolarHBondContact O-N 2.84Å; E575-L578 VanDerWaalsContact O-N 3.09Å; E575-D579 WeakPolarHBondContact O-CB 3.35Å; E575-D579 VanDerWaalsContact O-CG 3.28Å; E575-D579 PolarHBondContact O-N 3.41Å; E575-T587 WeakPolarHBondContact CA-OG1 3.25Å; E575-T587 PolarHBondContact O-OG1 3.47Å; E575-A588 WeakPolarHBondContact OE1-CA 3.45Å; E575-V589 HydrophobicContact CG-CB 3.94Å; E575-V589 HydrophobicContact CG-CG2 3.66Å; E575-V589 PolarHBondContact OE1-N 3.02Å; E575-R655 IonicContact OE1-CZ 3.55Å; E575-R655 IonicContact OE1-NE 3.29Å; E575-R655 PolarHBondContact OE1-NE 2.9Å; E575-R655 VanDerWaalsContact OE1-NE 3.13Å; E575-R655 IonicContact OE1-NH2 2.62Å; E575-R655 PolarHBondContact OE1-NH2 2.88Å; E575-R655 IonicContact OE2-CZ 2.72Å; E575-R655 IonicContact OE2-NH2 2.71Å; E575-R655 PolarHBondContact OE2-NH2 3.43Å
576	D	74.9	Confident	76.3	Confident	62 Å²	62	38.2 Å²	38.2	33%	0.332	21%	0.213	S	C	.	.	H	α-helix	trans	-58.5	-44.5	177	-75.3	-23.4	0	0	0	111.6	N430 A572 L578 D579 E580	N430-D576 WeakPolarHBondContact CB-OD1 3.1Å; A572-D576 WeakPolarHBondContact O-CB 3.23Å; A572-D576 VanDerWaalsContact O-CG 3.26Å; A572-D576 PolarHBondContact O-N 3.11Å; D576-L578 VanDerWaalsContact C-N 3.28Å; D576-L578 PolarHBondContact O-N 3.25Å; D576-D579 PolarHBondContact O-N 2.95Å; D576-E580 PolarHBondContact O-N 3.43Å
577	A	78.2	Confident	78.6	Confident	4 Å²	4	35.4 Å²	35.4	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-29.5	177.5	0	0	0	0	0	113.5	E573 I574 E575 V626 K629 I630	E573-A577 PolarHBondContact O-N 3.2Å; I574-A577 PolarHBondContact O-N 3.48Å; E575-A577 VanDerWaalsContact C-N 3.35Å; E575-A577 PolarHBondContact O-N 2.95Å; A577-V626 HydrophobicContact CB-CG2 4.31Å; A577-K629 HydrophobicContact CB-CB 4.25Å; A577-K629 HydrophobicContact CB-CD 4.13Å; A577-I630 HydrophobicContact CB-CD1 3.94Å; A577-I630 HydrophobicContact CB-CG1 4.24Å
578	L	88.7	Confident	80.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-81.1	-39.9	177.7	-67.9	170.8	0	0	0	112.1	I574 E575 D576 E580 H581 T587 V589 A603 L622 V626 F639	I574-L578 HydrophobicContact CG2-CD1 4.03Å; I574-L578 HydrophobicContact CG2-CG 4.46Å; I574-L578 WeakPolarHBondContact O-CG 3.39Å; I574-L578 PolarHBondContact O-N 3.04Å; I574-L578 VanDerWaalsContact O-N 3.09Å; E575-L578 PolarHBondContact O-N 2.84Å; E575-L578 VanDerWaalsContact O-N 3.09Å; D576-L578 VanDerWaalsContact C-N 3.28Å; D576-L578 PolarHBondContact O-N 3.25Å; L578-E580 PolarHBondContact O-N 3.39Å; L578-H581 WeakPolarHBondContact O-CB 3.19Å; L578-H581 PolarHBondContact O-N 2.6Å; L578-H581 VanDerWaalsContact O-N 3.16Å; L578-T587 HydrophobicContact CB-CG2 3.63Å; L578-T587 HydrophobicContact CD1-CG2 4.09Å; L578-T587 HydrophobicContact CG-CG2 4.49Å; L578-V589 HydrophobicContact CD1-CG2 3.89Å; L578-A603 HydrophobicContact CD1-CB 3.99Å; L578-L622 HydrophobicContact CB-CD2 4.43Å; L578-L622 HydrophobicContact CD2-CB 3.75Å; L578-L622 HydrophobicContact CD2-CD1 4.44Å; L578-L622 HydrophobicContact CD2-CD2 3.84Å; L578-L622 HydrophobicContact CD2-CG 4.21Å; L578-V626 HydrophobicContact CD2-CG2 3.52Å; L578-V626 HydrophobicContact CG-CG2 3.87Å; L578-F639 HydrophobicContact CD2-CE1 3.76Å; L578-F639 HydrophobicContact CD2-CZ 4.31Å
579	D	86.1	Confident	82.5	Confident	22 Å²	22	25.8 Å²	25.8	12%	0.118	14%	0.143	C	C	.	.	H	α-helix	trans	-67.5	-19.9	-177.5	-75.7	1.4	0	0	0	112.3	E575 D576 H581 T587	E575-D579 WeakPolarHBondContact O-CB 3.35Å; E575-D579 VanDerWaalsContact O-CG 3.28Å; E575-D579 PolarHBondContact O-N 3.41Å; D576-D579 PolarHBondContact O-N 2.95Å; D579-H581 PolarHBondContact O-N 2.95Å; D579-T587 VanDerWaalsContact OD1-CB 3.31Å; D579-T587 WeakPolarHBondContact OD1-CB 3.44Å; D579-T587 VanDerWaalsContact OD1-CG2 3.29Å; D579-T587 WeakPolarHBondContact OD1-CG2 3.19Å; D579-T587 PolarHBondContact OD1-N 3.09Å; D579-T587 PolarHBondContact OD1-OG1 3.3Å
580	E	81.9	Confident	83.9	Confident	113 Å²	113	25.5 Å²	25.5	53%	0.528	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.5	172.2	-77.6	-172.3	-136.7	0	0	114.5	D576 L578 K629	D576-E580 PolarHBondContact O-N 3.43Å; L578-E580 PolarHBondContact O-N 3.39Å; E580-K629 VanDerWaalsContact CD-CE 3.42Å; E580-K629 WeakPolarHBondContact OE1-CE 3.4Å; E580-K629 IonicContact OE1-NZ 3.05Å; E580-K629 PolarHBondContact OE1-NZ 3.26Å; E580-K629 WeakPolarHBondContact OE2-CE 3.37Å; E580-K629 IonicContact OE2-NZ 3.88Å; E580-K629 PolarHBondContact OE2-NZ 3.34Å
581	H	89.9	Confident	84.9	Confident	21 Å²	21	25.1 Å²	25.1	10%	0.097	14%	0.137	C	C	.	.	S	Bend	trans	-71.3	127.2	178.6	-172.1	-79.2	0	0	0	110.6	L578 D579 A583 V584 E621 L622 L625	L578-H581 WeakPolarHBondContact O-CB 3.19Å; L578-H581 PolarHBondContact O-N 2.6Å; L578-H581 VanDerWaalsContact O-N 3.16Å; D579-H581 PolarHBondContact O-N 2.95Å; H581-A583 WeakPolarHBondContact ND1-CB 3.5Å; H581-A583 PolarHBondContact ND1-N 3.35Å; H581-A583 VanDerWaalsContact ND1-N 3.14Å; H581-A583 PolarHBondContact O-N 3.21Å; H581-V584 HydrophobicContact CB-CB 4.15Å; H581-V584 HydrophobicContact CB-CG2 3.87Å; H581-V584 PolarHBondContact O-N 3.48Å; H581-E621 IonicContact CE1-OE2 3.69Å; H581-E621 IonicContact NE2-OE2 3.55Å; H581-E621 PolarHBondContact NE2-OE2 3.3Å; H581-L622 HydrophobicContact CB-CD2 3.49Å; H581-L622 VanDerWaalsContact CB-CD2 3.49Å; H581-L625 HydrophobicContact CB-CD1 3.73Å
582	P	87.4	Confident	85.1	Confident	102 Å²	102	25.8 Å²	25.8	66%	0.662	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.8	-173.2	-27.6	34.6	0	0	0	115.5	K608	P582-K608 WeakPolarHBondContact O-CD 3.48Å; P582-K608 WeakPolarHBondContact O-CE 3.49Å; P582-K608 PolarHBondContact O-NZ 3.08Å
583	A	90.1	Very high	85.4	Confident	10 Å²	10	29.7 Å²	29.7	8%	0.083	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.4	176.7	0	0	0	0	0	114.7	H581 P585 L607 K608 L613 V618	H581-A583 WeakPolarHBondContact ND1-CB 3.5Å; H581-A583 PolarHBondContact ND1-N 3.35Å; H581-A583 VanDerWaalsContact ND1-N 3.14Å; H581-A583 PolarHBondContact O-N 3.21Å; A583-P585 VanDerWaalsContact O-CD 3.32Å; A583-P585 WeakPolarHBondContact O-CD 3.48Å; A583-L607 CarbonylContact O-C 3.58Å; A583-L607 WeakPolarHBondContact O-CA 3.13Å; A583-K608 PolarHBondContact O-N 2.87Å; A583-L613 HydrophobicContact CB-CD1 4.01Å; A583-L613 HydrophobicContact CB-CD2 3.76Å; A583-V618 HydrophobicContact CB-CG1 4.37Å; A583-V618 HydrophobicContact CB-CG2 4.34Å
584	V	90	Very high	85.9	Confident	6 Å²	6	27.6 Å²	27.6	4%	0.036	16%	0.157	C	C	.	.			trans	-110.3	101.7	-172.8	178.8	0	0	0	0	110.2	H581 T587 V605 L607 V618 L622	H581-V584 HydrophobicContact CB-CB 4.15Å; H581-V584 HydrophobicContact CB-CG2 3.87Å; H581-V584 PolarHBondContact O-N 3.48Å; V584-T587 HydrophobicContact CG1-CG2 3.41Å; V584-T587 VanDerWaalsContact CG1-CG2 3.41Å; V584-V605 HydrophobicContact CG1-CG1 4.03Å; V584-V605 HydrophobicContact CG2-CG1 3.88Å; V584-L607 HydrophobicContact CG2-CD2 3.81Å; V584-V618 HydrophobicContact CG2-CG1 4.47Å; V584-L622 HydrophobicContact CG2-CD1 3.96Å; V584-L622 HydrophobicContact CG2-CD2 3.74Å; V584-L622 HydrophobicContact CG2-CG 4.37Å
585	P	83.1	Confident	85	Confident	31 Å²	31	35.6 Å²	35.6	20%	0.201	20%	0.2	C	C	.	.	S	Bend	trans	-76.3	-22.8	176.9	27.9	-38.3	0	0	0	114.7	A583 V606 K608	A583-P585 VanDerWaalsContact O-CD 3.32Å; A583-P585 WeakPolarHBondContact O-CD 3.48Å; P585-V606 VanDerWaalsContact CD-O 3.24Å; P585-V606 WeakPolarHBondContact CD-O 3.46Å; P585-V606 HydrophobicContact CG-CB 4.2Å; P585-V606 HydrophobicContact CG-CG1 3.81Å; P585-K608 HydrophobicContact CG-CG 4.42Å
586	E	89.1	Confident	83.9	Confident	24 Å²	24	42.1 Å²	42.1	11%	0.112	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	146.3	178.9	57.6	-170.8	-129.1	0	0	111.7	K405 V606 L645 K647	K405-E586 IonicContact NZ-OE2 2.58Å; E586-V606 HydrophobicContact CG-CB 3.61Å; E586-V606 HydrophobicContact CG-CG1 4.23Å; E586-V606 HydrophobicContact CG-CG2 3.59Å; E586-V606 PolarHBondContact O-N 3.07Å; E586-L645 HydrophobicContact CB-CD1 4.24Å; E586-L645 HydrophobicContact CG-CD1 3.92Å; E586-K647 WeakPolarHBondContact OE1-CE 3.42Å; E586-K647 IonicContact OE1-NZ 2.65Å; E586-K647 PolarHBondContact OE1-NZ 3.37Å; E586-K647 IonicContact OE2-NZ 3.53Å; E586-K647 PolarHBondContact OE2-NZ 3.22Å
587	T	92.5	Very high	83.3	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	162.2	171.3	59.4	0	0	0	0	112.9	E575 L578 D579 V584 F604 V605	E575-T587 WeakPolarHBondContact CA-OG1 3.25Å; E575-T587 PolarHBondContact O-OG1 3.47Å; L578-T587 HydrophobicContact CB-CG2 3.63Å; L578-T587 HydrophobicContact CD1-CG2 4.09Å; L578-T587 HydrophobicContact CG-CG2 4.49Å; D579-T587 VanDerWaalsContact OD1-CB 3.31Å; D579-T587 WeakPolarHBondContact OD1-CB 3.44Å; D579-T587 VanDerWaalsContact OD1-CG2 3.29Å; D579-T587 WeakPolarHBondContact OD1-CG2 3.19Å; D579-T587 PolarHBondContact OD1-N 3.09Å; D579-T587 PolarHBondContact OD1-OG1 3.3Å; V584-T587 HydrophobicContact CG1-CG2 3.41Å; V584-T587 VanDerWaalsContact CG1-CG2 3.41Å; T587-F604 WeakPolarHBondContact CA-O 3.26Å; T587-V605 HydrophobicContact CG2-CB 4.45Å; T587-V605 HydrophobicContact CG2-CG1 4.26Å; T587-V605 HydrophobicContact CG2-CG2 4.13Å
588	A	91.6	Very high	82.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.3	164	0	0	0	0	0	109.1	E575 F604 L645 I653 L658	E575-A588 WeakPolarHBondContact OE1-CA 3.45Å; A588-F604 HydrophobicContact CB-CB 4.44Å; A588-F604 PolarHBondContact N-O 2.81Å; A588-F604 PolarHBondContact O-N 2.8Å; A588-L645 HydrophobicContact CB-CD1 3.92Å; A588-L645 HydrophobicContact CB-CD2 3.81Å; A588-L645 HydrophobicContact CB-CG 4.48Å; A588-I653 HydrophobicContact CB-CD1 4.29Å; A588-I653 HydrophobicContact CB-CG2 3.93Å; A588-L658 HydrophobicContact CB-CD1 3.49Å; A588-L658 VanDerWaalsContact CB-CD1 3.49Å
589	V	91.9	Very high	82.4	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143	178.9	-176.4	0	0	0	0	109.2	I562 T571 I574 E575 L578 P601 F602 A603	I562-V589 HydrophobicContact CD1-CG1 3.9Å; T571-V589 HydrophobicContact CG2-CB 4.29Å; T571-V589 HydrophobicContact CG2-CG1 4.36Å; T571-V589 WeakPolarHBondContact CG2-O 3.39Å; I574-V589 HydrophobicContact CB-CG1 4.36Å; I574-V589 HydrophobicContact CB-CG2 4.16Å; I574-V589 HydrophobicContact CD1-CG1 3.9Å; I574-V589 HydrophobicContact CG2-CG1 4.28Å; I574-V589 HydrophobicContact CG2-CG2 3.88Å; E575-V589 HydrophobicContact CG-CB 3.94Å; E575-V589 HydrophobicContact CG-CG2 3.66Å; E575-V589 PolarHBondContact OE1-N 3.02Å; L578-V589 HydrophobicContact CD1-CG2 3.89Å; V589-P601 HydrophobicContact CG1-CB 3.74Å; V589-F602 WeakPolarHBondContact CA-O 3.49Å; V589-A603 HydrophobicContact CG2-CB 4.07Å
590	I	91.4	Very high	82.5	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.7	173.9	59.2	164.5	0	0	0	109.8	I562 I592 P601 F602 F604 R655 L658 R659 A662	I562-I590 VanDerWaalsContact CD1-C 3.49Å; I562-I590 WeakPolarHBondContact CD1-O 3.34Å; I590-I592 HydrophobicContact CD1-CG2 4.05Å; I590-I592 HydrophobicContact CG1-CG2 4.46Å; I590-P601 WeakPolarHBondContact O-CA 3.34Å; I590-F602 HydrophobicContact CD1-CB 4.34Å; I590-F602 HydrophobicContact CG1-CB 3.89Å; I590-F602 PolarHBondContact N-O 3.39Å; I590-F602 PolarHBondContact O-N 3.05Å; I590-F604 HydrophobicContact CD1-CE2 3.77Å; I590-F604 HydrophobicContact CD1-CZ 4.42Å; I590-F604 HydrophobicContact CG1-CE2 3.98Å; I590-R655 HydrophobicContact CG2-CB 4.09Å; I590-R655 HydrophobicContact CG2-CG 4.35Å; I590-L658 HydrophobicContact CG2-CB 4.27Å; I590-R659 VanDerWaalsContact CD1-CA 3.43Å; I590-R659 HydrophobicContact CD1-CB 4.06Å; I590-R659 HydrophobicContact CD1-CG 4.34Å; I590-A662 HydrophobicContact CD1-CB 3.58Å
591	G	86.8	Confident	82.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.9	165.8	0	0	0	0	0	111.8	R659	G591-R659 PolarHBondContact O-NH1 2.9Å
592	I	87.1	Confident	83.1	Confident	19 Å²	19	39.9 Å²	39.9	10%	0.097	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.4	165.9	67.8	167.7	0	0	0	109.9	I590 E599 V600 F602 H638 A662	I590-I592 HydrophobicContact CD1-CG2 4.05Å; I590-I592 HydrophobicContact CG1-CG2 4.46Å; I592-E599 CarbonylContact O-C 3.56Å; I592-E599 WeakPolarHBondContact O-CA 3.45Å; I592-E599 WeakPolarHBondContact O-CB 3.43Å; I592-V600 HydrophobicContact CD1-CG2 3.95Å; I592-V600 HydrophobicContact CG1-CG2 3.58Å; I592-V600 PolarHBondContact N-O 2.87Å; I592-V600 PolarHBondContact O-N 3Å; I592-F602 HydrophobicContact CD1-CD2 4.09Å; I592-F602 HydrophobicContact CG2-CB 3.96Å; I592-F602 HydrophobicContact CG2-CD2 4.37Å; I592-H638 VanDerWaalsContact CD1-CD2 3.44Å; I592-H638 WeakPolarHBondContact CD1-CD2 3.36Å; I592-A662 HydrophobicContact CG2-CB 3.95Å
593	S	76.8	Confident	83.6	Confident	96 Å²	96	35 Å²	35	67%	0.671	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.6	176.4	-170.1	0	0	0	0	111.4
594	H	80.2	Confident	83.9	Confident	51 Å²	51	34.6 Å²	34.6	24%	0.236	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	125.1	176.2	-176.2	-59.7	0	0	0	110.5	I596 K597 G598 V600 D637	H594-I596 PolarHBondContact ND1-N 3.34Å; H594-I596 VanDerWaalsContact ND1-N 3.1Å; H594-I596 PolarHBondContact O-N 3.31Å; H594-K597 HydrophobicContact CB-CB 4.39Å; H594-K597 PolarHBondContact ND1-N 2.71Å; H594-K597 PolarHBondContact O-N 3.32Å; H594-G598 PolarHBondContact N-O 3.23Å; H594-G598 CarbonylContact O-C 3.59Å; H594-G598 WeakPolarHBondContact O-CA 3.34Å; H594-G598 PolarHBondContact O-N 2.9Å; H594-V600 HydrophobicContact CB-CB 4.37Å; H594-V600 HydrophobicContact CB-CG1 3.69Å; H594-V600 HydrophobicContact CB-CG2 4Å; H594-V600 VanDerWaalsContact CD2-CG1 3.48Å; H594-V600 WeakPolarHBondContact CD2-CG1 3.41Å; H594-D637 IonicContact CD2-OD2 3.71Å; H594-D637 IonicContact NE2-OD2 3.04Å
595	D	61.8	Low	84.2	Confident	168 Å²	168	34.3 Å²	34.3	90%	0.898	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.6	-170.3	-59.1	-25.6	0	0	0	114.6
596	I	62.2	Low	84.7	Confident	152 Å²	152	33.3 Å²	33.3	78%	0.779	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-49.4	-179.5	-54.1	174.2	0	0	0	112.9	H594 G598	H594-I596 PolarHBondContact ND1-N 3.34Å; H594-I596 VanDerWaalsContact ND1-N 3.1Å; H594-I596 PolarHBondContact O-N 3.31Å; I596-G598 VanDerWaalsContact C-N 3.34Å
597	K	61.6	Low	84.8	Confident	65 Å²	65	33 Å²	33	28%	0.283	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.4	-171	-64.1	170.7	-178.5	170.1	0	113.4	I564 S565 H594 E599 V600 D637	I564-K597 HydrophobicContact CG2-CB 4.38Å; I564-K597 HydrophobicContact CG2-CD 4.41Å; S565-K597 PolarHBondContact N-O 2.81Å; H594-K597 HydrophobicContact CB-CB 4.39Å; H594-K597 PolarHBondContact ND1-N 2.71Å; H594-K597 PolarHBondContact O-N 3.32Å; K597-E599 VanDerWaalsContact C-N 3.26Å; K597-E599 PolarHBondContact O-N 3.3Å; K597-E599 VanDerWaalsContact O-N 3.09Å; K597-V600 HydrophobicContact CB-CG1 3.97Å; K597-V600 HydrophobicContact CD-CG1 3.38Å; K597-V600 HydrophobicContact CG-CG1 4.31Å; K597-D637 VanDerWaalsContact NZ-CG 3.31Å; K597-D637 IonicContact NZ-OD1 3.62Å; K597-D637 PolarHBondContact NZ-OD1 3.37Å; K597-D637 IonicContact NZ-OD2 3.79Å; K597-D637 PolarHBondContact NZ-OD2 3.46Å
598	G	70.1	Confident	84.5	Confident	44 Å²	44	38.5 Å²	38.5	45%	0.454	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.7	-73.6	-169.5	0	0	0	0	0	110.1	H594 I596	H594-G598 PolarHBondContact N-O 3.23Å; H594-G598 CarbonylContact O-C 3.59Å; H594-G598 WeakPolarHBondContact O-CA 3.34Å; H594-G598 PolarHBondContact O-N 2.9Å; I596-G598 VanDerWaalsContact C-N 3.34Å
599	E	79.7	Confident	83.9	Confident	61 Å²	61	48 Å²	48	29%	0.285	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.7	171.1	-56.6	-176.3	149.9	0	0	111.8	I562 N563 I592 K597	I562-E599 WeakPolarHBondContact CA-OE2 3.5Å; I562-E599 HydrophobicContact CG2-CB 3.78Å; N563-E599 PolarHBondContact N-OE2 2.59Å; N563-E599 WeakPolarHBondContact O-CB 3.38Å; N563-E599 PolarHBondContact O-N 2.9Å; N563-E599 VanDerWaalsContact O-N 3.08Å; I592-E599 CarbonylContact O-C 3.56Å; I592-E599 WeakPolarHBondContact O-CA 3.45Å; I592-E599 WeakPolarHBondContact O-CB 3.43Å; K597-E599 VanDerWaalsContact C-N 3.26Å; K597-E599 PolarHBondContact O-N 3.3Å; K597-E599 VanDerWaalsContact O-N 3.09Å
600	V	86.7	Confident	83.3	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.7	169.1	-65.2	0	0	0	0	111.3	I592 H594 K597 D637	I592-V600 HydrophobicContact CD1-CG2 3.95Å; I592-V600 HydrophobicContact CG1-CG2 3.58Å; I592-V600 PolarHBondContact N-O 2.87Å; I592-V600 PolarHBondContact O-N 3Å; H594-V600 HydrophobicContact CB-CB 4.37Å; H594-V600 HydrophobicContact CB-CG1 3.69Å; H594-V600 HydrophobicContact CB-CG2 4Å; H594-V600 VanDerWaalsContact CD2-CG1 3.48Å; H594-V600 WeakPolarHBondContact CD2-CG1 3.41Å; K597-V600 HydrophobicContact CB-CG1 3.97Å; K597-V600 HydrophobicContact CD-CG1 3.38Å; K597-V600 HydrophobicContact CG-CG1 4.31Å; V600-D637 HydrophobicContact CB-CB 4.14Å; V600-D637 WeakPolarHBondContact CG1-OD2 3.17Å; V600-D637 HydrophobicContact CG2-CB 3.98Å
601	P	90.6	Very high	82.5	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.4	174.2	-10.6	26.5	0	0	0	111.6	I562 I564 I574 V589 I590 P636 D637	I562-P601 HydrophobicContact CD1-CB 3.81Å; I562-P601 HydrophobicContact CD1-CG 4.14Å; I564-P601 HydrophobicContact CD1-CG 3.53Å; I564-P601 HydrophobicContact CG1-CG 4.45Å; I574-P601 HydrophobicContact CD1-CB 3.88Å; I574-P601 HydrophobicContact CD1-CG 3.81Å; V589-P601 HydrophobicContact CG1-CB 3.74Å; I590-P601 WeakPolarHBondContact O-CA 3.34Å; P601-P636 HydrophobicContact CB-CB 4.02Å; P601-P636 HydrophobicContact CB-CG 4.1Å; P601-P636 CarbonylContact O-C 3.37Å; P601-P636 VanDerWaalsContact O-CA 3.31Å; P601-P636 WeakPolarHBondContact O-CA 3.43Å; P601-P636 WeakPolarHBondContact O-CB 3.26Å; P601-D637 PolarHBondContact O-N 2.98Å
602	F	95.4	Very high	82.1	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.8	166.2	-169.8	-57.6	0	0	0	107.6	V589 I590 I592 F604 H638 L640 A662 H688 Y691	V589-F602 WeakPolarHBondContact CA-O 3.49Å; I590-F602 HydrophobicContact CD1-CB 4.34Å; I590-F602 HydrophobicContact CG1-CB 3.89Å; I590-F602 PolarHBondContact N-O 3.39Å; I590-F602 PolarHBondContact O-N 3.05Å; I592-F602 HydrophobicContact CD1-CD2 4.09Å; I592-F602 HydrophobicContact CG2-CB 3.96Å; I592-F602 HydrophobicContact CG2-CD2 4.37Å; F602-F604 AromaticContact CD1-CD2 3.84Å; F602-F604 HydrophobicContact CD1-CD2 3.84Å; F602-F604 AromaticContact CD1-CE2 3.44Å; F602-F604 HydrophobicContact CD1-CE2 3.44Å; F602-F604 VanDerWaalsContact CD1-CE2 3.44Å; F602-F604 AromaticContact CD1-CZ 3.85Å; F602-F604 HydrophobicContact CD1-CZ 3.85Å; F602-F604 HydrophobicContact CE1-CD1 4.35Å; F602-F604 HydrophobicContact CE1-CD2 4.13Å; F602-F604 AromaticContact CE1-CE1 3.98Å; F602-F604 HydrophobicContact CE1-CE1 3.98Å; F602-F604 AromaticContact CE1-CE2 3.71Å; F602-F604 HydrophobicContact CE1-CE2 3.71Å; F602-F604 HydrophobicContact CE1-CG 4.43Å; F602-F604 AromaticContact CE1-CZ 3.64Å; F602-F604 HydrophobicContact CE1-CZ 3.64Å; F602-F604 HydrophobicContact CG-CE2 4.36Å; F602-F604 HydrophobicContact CZ-CZ 4.42Å; F602-H638 HydrophobicContact CB-CB 4.22Å; F602-H638 HydrophobicContact CD1-CB 4.19Å; F602-H638 HydrophobicContact CD2-CB 3.31Å; F602-H638 AromaticContact CD2-CD2 3.93Å; F602-H638 AromaticContact CD2-CG 3.65Å; F602-H638 HydrophobicContact CE1-CB 4.38Å; F602-H638 HydrophobicContact CE2-CB 3.55Å; F602-H638 AromaticContact CE2-CG 3.87Å; F602-H638 HydrophobicContact CG-CB 3.64Å; F602-H638 HydrophobicContact CZ-CB 4.08Å; F602-L640 HydrophobicContact CE1-CB 3.53Å; F602-L640 HydrophobicContact CE1-CD2 4.26Å; F602-L640 HydrophobicContact CZ-CB 3.87Å; F602-L640 HydrophobicContact CZ-CD2 4.31Å; F602-A662 HydrophobicContact CD2-CB 3.89Å; F602-A662 HydrophobicContact CE2-CB 4.05Å; F602-A662 HydrophobicContact CG-CB 4.2Å; F602-A662 HydrophobicContact CZ-CB 4.47Å; F602-H688 AromaticContact CZ-CD2 3.95Å; F602-Y691 HydrophobicContact CE2-CE1 4.37Å; F602-Y691 HydrophobicContact CZ-CE1 4.35Å
603	A	96.3	Very high	81.9	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.5	-179.9	0	0	0	0	0	111.5	L578 V589 V605 P636 H638 F639 L640	L578-A603 HydrophobicContact CD1-CB 3.99Å; V589-A603 HydrophobicContact CG2-CB 4.07Å; A603-V605 HydrophobicContact CB-CG2 4.26Å; A603-P636 HydrophobicContact CB-CB 3.87Å; A603-P636 HydrophobicContact CB-CG 3.79Å; A603-H638 PolarHBondContact N-O 2.86Å; A603-F639 HydrophobicContact CB-CD1 3.97Å; A603-F639 HydrophobicContact CB-CE1 4.13Å; A603-F639 HydrophobicContact CB-CG 4.49Å; A603-F639 CarbonylContact O-C 3.33Å; A603-F639 WeakPolarHBondContact O-CA 3.29Å; A603-L640 PolarHBondContact O-N 2.9Å
604	F	96.9	Very high	82.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	120.2	164.7	-63.4	-100.9	0	0	0	107.7	T587 A588 I590 F602 L640 V642 L645 L658 A662 I684	T587-F604 WeakPolarHBondContact CA-O 3.26Å; A588-F604 HydrophobicContact CB-CB 4.44Å; A588-F604 PolarHBondContact N-O 2.81Å; A588-F604 PolarHBondContact O-N 2.8Å; I590-F604 HydrophobicContact CD1-CE2 3.77Å; I590-F604 HydrophobicContact CD1-CZ 4.42Å; I590-F604 HydrophobicContact CG1-CE2 3.98Å; F602-F604 AromaticContact CD1-CD2 3.84Å; F602-F604 HydrophobicContact CD1-CD2 3.84Å; F602-F604 AromaticContact CD1-CE2 3.44Å; F602-F604 HydrophobicContact CD1-CE2 3.44Å; F602-F604 VanDerWaalsContact CD1-CE2 3.44Å; F602-F604 AromaticContact CD1-CZ 3.85Å; F602-F604 HydrophobicContact CD1-CZ 3.85Å; F602-F604 HydrophobicContact CE1-CD1 4.35Å; F602-F604 HydrophobicContact CE1-CD2 4.13Å; F602-F604 AromaticContact CE1-CE1 3.98Å; F602-F604 HydrophobicContact CE1-CE1 3.98Å; F602-F604 AromaticContact CE1-CE2 3.71Å; F602-F604 HydrophobicContact CE1-CE2 3.71Å; F602-F604 HydrophobicContact CE1-CG 4.43Å; F602-F604 AromaticContact CE1-CZ 3.64Å; F602-F604 HydrophobicContact CE1-CZ 3.64Å; F602-F604 HydrophobicContact CG-CE2 4.36Å; F602-F604 HydrophobicContact CZ-CZ 4.42Å; F604-L640 WeakPolarHBondContact CA-O 3.49Å; F604-L640 HydrophobicContact CD1-CB 4.35Å; F604-L640 HydrophobicContact CD1-CD2 3.82Å; F604-L640 HydrophobicContact CD1-CG 4.45Å; F604-L640 HydrophobicContact CE1-CD2 3.61Å; F604-V642 HydrophobicContact CB-CG2 4.39Å; F604-V642 HydrophobicContact CD1-CG1 4.11Å; F604-L645 HydrophobicContact CB-CD2 3.73Å; F604-L658 HydrophobicContact CD1-CD2 3.76Å; F604-L658 HydrophobicContact CD2-CB 4.14Å; F604-L658 HydrophobicContact CD2-CD1 4Å; F604-L658 HydrophobicContact CD2-CD2 4.23Å; F604-L658 HydrophobicContact CD2-CG 4.36Å; F604-L658 HydrophobicContact CE1-CB 4.46Å; F604-L658 HydrophobicContact CE1-CD2 3.76Å; F604-L658 HydrophobicContact CE2-CB 3.68Å; F604-L658 HydrophobicContact CE2-CD1 4.4Å; F604-L658 HydrophobicContact CE2-CD2 4.26Å; F604-L658 HydrophobicContact CE2-CG 4.33Å; F604-L658 HydrophobicContact CG-CD1 4.23Å; F604-L658 HydrophobicContact CG-CD2 4Å; F604-L658 HydrophobicContact CZ-CB 3.85Å; F604-L658 HydrophobicContact CZ-CD2 4.02Å; F604-L658 HydrophobicContact CZ-CG 4.47Å; F604-L658 WeakPolarHBondContact CZ-O 3.21Å; F604-A662 HydrophobicContact CZ-CB 4.19Å; F604-I684 HydrophobicContact CD1-CG2 4.26Å; F604-I684 HydrophobicContact CE1-CG2 3.86Å
605	V	95.8	Very high	82.7	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.7	-173	-177.6	0	0	0	0	109.3	V584 T587 A603 L607 L622 F639 L640 V641 V642	V584-V605 HydrophobicContact CG1-CG1 4.03Å; V584-V605 HydrophobicContact CG2-CG1 3.88Å; T587-V605 HydrophobicContact CG2-CB 4.45Å; T587-V605 HydrophobicContact CG2-CG1 4.26Å; T587-V605 HydrophobicContact CG2-CG2 4.13Å; A603-V605 HydrophobicContact CB-CG2 4.26Å; V605-L607 HydrophobicContact CG1-CD2 3.74Å; V605-L607 HydrophobicContact CG1-CG 4.38Å; V605-L622 HydrophobicContact CG1-CD1 3.92Å; V605-L622 HydrophobicContact CG2-CD1 4.2Å; V605-F639 HydrophobicContact CG2-CD1 3.94Å; V605-L640 PolarHBondContact N-O 2.83Å; V605-V641 CarbonylContact O-C 3.57Å; V605-V641 VanDerWaalsContact O-CA 3.3Å; V605-V641 WeakPolarHBondContact O-CA 3.44Å; V605-V642 PolarHBondContact O-N 2.83Å
606	V	93.7	Very high	83.9	Confident	11 Å²	11	67 Å²	67	7%	0.067	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	139	165.2	-177.6	0	0	0	0	107.5	P585 E586 V642 K643 L645	P585-V606 VanDerWaalsContact CD-O 3.24Å; P585-V606 WeakPolarHBondContact CD-O 3.46Å; P585-V606 HydrophobicContact CG-CB 4.2Å; P585-V606 HydrophobicContact CG-CG1 3.81Å; E586-V606 HydrophobicContact CG-CB 3.61Å; E586-V606 HydrophobicContact CG-CG1 4.23Å; E586-V606 HydrophobicContact CG-CG2 3.59Å; E586-V606 PolarHBondContact O-N 3.07Å; V606-V642 WeakPolarHBondContact CA-O 3.25Å; V606-V642 HydrophobicContact CG2-CG2 4.03Å; V606-K643 WeakPolarHBondContact CG1-O 3.47Å; V606-L645 HydrophobicContact CG2-CD1 4.43Å; V606-L645 HydrophobicContact CG2-CD2 4.49Å; V606-L645 HydrophobicContact CG2-CG 3.89Å
607	L	90.9	Very high	85.2	Confident	17 Å²	17	61.6 Å²	61.6	9%	0.089	33%	0.331	C	S	.	.			trans	-112.3	153	175.1	-62	-178.3	0	0	0	110	A583 V584 V605 H615 V618 V641	A583-L607 CarbonylContact O-C 3.58Å; A583-L607 WeakPolarHBondContact O-CA 3.13Å; V584-L607 HydrophobicContact CG2-CD2 3.81Å; V605-L607 HydrophobicContact CG1-CD2 3.74Å; V605-L607 HydrophobicContact CG1-CG 4.38Å; L607-H615 HydrophobicContact CD1-CB 4.24Å; L607-V618 HydrophobicContact CD2-CG1 3.74Å; L607-V641 HydrophobicContact CD1-CG1 3.86Å; L607-V641 HydrophobicContact CD1-CG2 4.22Å; L607-V641 HydrophobicContact CG-CG1 3.99Å
608	K	86.6	Confident	86.6	Confident	118 Å²	118	58.7 Å²	58.7	51%	0.513	32%	0.319	S	S	.	.			trans	-60.2	145.2	170.1	-66.8	-174.8	176.2	165.2	0	110	P582 A583 P585 D610 L613	P582-K608 WeakPolarHBondContact O-CD 3.48Å; P582-K608 WeakPolarHBondContact O-CE 3.49Å; P582-K608 PolarHBondContact O-NZ 3.08Å; A583-K608 PolarHBondContact O-N 2.87Å; P585-K608 HydrophobicContact CG-CG 4.42Å; K608-D610 VanDerWaalsContact C-N 3.33Å; K608-D610 PolarHBondContact O-N 2.86Å; K608-L613 HydrophobicContact CB-CD1 4.35Å; K608-L613 WeakPolarHBondContact O-CD1 3.33Å
609	E	80.1	Confident	87.7	Confident	200 Å²	200	58 Å²	58	94%	0.935	31%	0.305	S	S	*	.	S	Bend	trans	-75	86.8	174.9	-67.5	-169.5	164.9	0	0	110
610	D	79.4	Confident	88.3	Confident	75 Å²	75	62.9 Å²	62.9	40%	0.401	33%	0.326	S	S	.	.			trans	-134.6	114.7	175.4	177.3	-8.2	0	0	0	109.4	K608 S612 L613	K608-D610 VanDerWaalsContact C-N 3.33Å; K608-D610 PolarHBondContact O-N 2.86Å; D610-S612 PolarHBondContact O-N 2.83Å; D610-S612 VanDerWaalsContact OD1-CB 3.31Å; D610-S612 WeakPolarHBondContact OD1-CB 3.16Å; D610-S612 PolarHBondContact OD1-N 2.86Å; D610-S612 PolarHBondContact OD1-OG 2.63Å; D610-S612 PolarHBondContact OD2-OG 3.11Å; D610-S612 VanDerWaalsContact OD2-OG 3.06Å; D610-L613 HydrophobicContact CB-CD1 3.76Å; D610-L613 HydrophobicContact CB-CG 3.82Å; D610-L613 WeakPolarHBondContact O-CB 3.44Å; D610-L613 PolarHBondContact O-N 3.05Å
611	P	73	Confident	88.6	Confident	142 Å²	142	67.5 Å²	67.5	92%	0.922	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.5	-179.7	-22.7	32.7	0	0	0	114.7
612	S	79.4	Confident	88.7	Confident	95 Å²	95	67.5 Å²	67.5	66%	0.664	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.7	178.2	75.2	0	0	0	0	113.5	D610 N614	D610-S612 PolarHBondContact O-N 2.83Å; D610-S612 VanDerWaalsContact OD1-CB 3.31Å; D610-S612 WeakPolarHBondContact OD1-CB 3.16Å; D610-S612 PolarHBondContact OD1-N 2.86Å; D610-S612 PolarHBondContact OD1-OG 2.63Å; D610-S612 PolarHBondContact OD2-OG 3.11Å; D610-S612 VanDerWaalsContact OD2-OG 3.06Å; S612-N614 PolarHBondContact O-N 3.02Å
613	L	82.6	Confident	88.6	Confident	43 Å²	43	71.6 Å²	71.6	23%	0.225	36%	0.363	C	S	.	.			trans	-71.1	118.5	-178.3	-75	173.2	0	0	0	112	A583 K608 D610 H615 V618	A583-L613 HydrophobicContact CB-CD1 4.01Å; A583-L613 HydrophobicContact CB-CD2 3.76Å; K608-L613 HydrophobicContact CB-CD1 4.35Å; K608-L613 WeakPolarHBondContact O-CD1 3.33Å; D610-L613 HydrophobicContact CB-CD1 3.76Å; D610-L613 HydrophobicContact CB-CG 3.82Å; D610-L613 WeakPolarHBondContact O-CB 3.44Å; D610-L613 PolarHBondContact O-N 3.05Å; L613-H615 PolarHBondContact O-N 2.85Å; L613-V618 HydrophobicContact CD2-CG2 4.19Å
614	N	87.4	Confident	88	Confident	101 Å²	101	73.5 Å²	73.5	54%	0.54	38%	0.382	S	S	.	.			trans	-83.8	101.9	169.5	-176	-28.6	0	0	0	110.2	S612 K616 A617 V618	S612-N614 PolarHBondContact O-N 3.02Å; N614-K616 PolarHBondContact O-N 3.06Å; N614-K616 VanDerWaalsContact O-N 3.12Å; N614-K616 PolarHBondContact OD1-N 2.81Å; N614-K616 VanDerWaalsContact OD1-N 3.07Å; N614-A617 HydrophobicContact CB-CB 3.92Å; N614-A617 WeakPolarHBondContact O-CB 3.47Å; N614-A617 PolarHBondContact O-N 2.89Å; N614-A617 PolarHBondContact OD1-N 3.4Å; N614-V618 PolarHBondContact O-N 3.35Å
615	H	86.8	Confident	87.4	Confident	97 Å²	97	75.7 Å²	75.7	45%	0.449	39%	0.394	S	S	.	.	H	α-helix	trans	-54.3	-35.7	-177.4	-67.5	-164.8	0	0	0	113.4	L607 L613 V619	L607-H615 HydrophobicContact CD1-CB 4.24Å; L613-H615 PolarHBondContact O-N 2.85Å; H615-V619 VanDerWaalsContact O-CG2 3.31Å; H615-V619 WeakPolarHBondContact O-CG2 3.41Å; H615-V619 PolarHBondContact O-N 3.37Å
616	K	85.9	Confident	86.6	Confident	181 Å²	181	75.7 Å²	75.7	79%	0.787	39%	0.394	S	S	*	.	H	α-helix	trans	-70.5	-37.5	179	-69.8	-175	179.1	-179.2	0	111.8	N614 K620	N614-K616 PolarHBondContact O-N 3.06Å; N614-K616 VanDerWaalsContact O-N 3.12Å; N614-K616 PolarHBondContact OD1-N 2.81Å; N614-K616 VanDerWaalsContact OD1-N 3.07Å; K616-K620 PolarHBondContact O-N 3.31Å
617	A	90.3	Very high	85.6	Confident	37 Å²	37	76.9 Å²	76.9	31%	0.306	40%	0.404	S	S	.	.	H	α-helix	trans	-66.1	-46.9	175.7	0	0	0	0	0	110.5	N614 V619 K620 E621	N614-A617 HydrophobicContact CB-CB 3.92Å; N614-A617 WeakPolarHBondContact O-CB 3.47Å; N614-A617 PolarHBondContact O-N 2.89Å; N614-A617 PolarHBondContact OD1-N 3.4Å; A617-V619 PolarHBondContact O-N 3Å; A617-K620 WeakPolarHBondContact O-CA 3.47Å; A617-K620 WeakPolarHBondContact O-CB 3.41Å; A617-K620 PolarHBondContact O-N 3.3Å; A617-E621 WeakPolarHBondContact O-CG 3.42Å; A617-E621 PolarHBondContact O-N 3.5Å
618	V	91.6	Very high	84.6	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.024	44%	0.435	C	S	.	.	H	α-helix	trans	-58.8	-46.4	177.1	176.9	0	0	0	0	111.3	A583 V584 L607 L613 N614 K620 E621 L622	A583-V618 HydrophobicContact CB-CG1 4.37Å; A583-V618 HydrophobicContact CB-CG2 4.34Å; V584-V618 HydrophobicContact CG2-CG1 4.47Å; L607-V618 HydrophobicContact CD2-CG1 3.74Å; L613-V618 HydrophobicContact CD2-CG2 4.19Å; N614-V618 PolarHBondContact O-N 3.35Å; V618-K620 PolarHBondContact O-N 2.89Å; V618-E621 WeakPolarHBondContact O-CB 3.4Å; V618-E621 PolarHBondContact O-N 3.28Å; V618-E621 VanDerWaalsContact O-N 3.1Å; V618-L622 HydrophobicContact CG1-CD1 4.06Å; V618-L622 HydrophobicContact CG1-CG 4.24Å; V618-L622 VanDerWaalsContact O-CG 3.29Å; V618-L622 WeakPolarHBondContact O-CG 3.38Å; V618-L622 PolarHBondContact O-N 2.97Å
619	V	92.2	Very high	83.7	Confident	29 Å²	29	79.5 Å²	79.5	18%	0.176	43%	0.432	C	S	.	.	H	α-helix	trans	-60.5	-34.5	176.5	168.9	0	0	0	0	112.2	H615 A617 R623 F639 V641	H615-V619 VanDerWaalsContact O-CG2 3.31Å; H615-V619 WeakPolarHBondContact O-CG2 3.41Å; H615-V619 PolarHBondContact O-N 3.37Å; A617-V619 PolarHBondContact O-N 3Å; V619-R623 WeakPolarHBondContact O-CG 3.36Å; V619-R623 PolarHBondContact O-N 3.16Å; V619-R623 VanDerWaalsContact O-N 3.11Å; V619-F639 HydrophobicContact CG1-CB 3.7Å; V619-F639 HydrophobicContact CG1-CD1 4.28Å; V619-F639 HydrophobicContact CG1-CD2 4.05Å; V619-F639 HydrophobicContact CG1-CG 3.76Å; V619-F639 HydrophobicContact CG2-CB 4.16Å; V619-V641 HydrophobicContact CG2-CG2 4.15Å
620	K	92.6	Very high	83.2	Confident	164 Å²	164	71.5 Å²	71.5	71%	0.713	40%	0.395	S	S	*	.	H	α-helix	trans	-67.8	-40.6	175	-174.4	-176.4	176.3	-173.8	0	111.5	K616 A617 V618 R623 G624	K616-K620 PolarHBondContact O-N 3.31Å; A617-K620 WeakPolarHBondContact O-CA 3.47Å; A617-K620 WeakPolarHBondContact O-CB 3.41Å; A617-K620 PolarHBondContact O-N 3.3Å; V618-K620 PolarHBondContact O-N 2.89Å; K620-R623 PolarHBondContact O-N 3.35Å; K620-G624 PolarHBondContact O-N 3.37Å
621	E	93.1	Very high	82.6	Confident	99 Å²	99	68.8 Å²	68.8	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-44.1	175.6	-70.7	160.7	-176.2	0	0	111.2	H581 A617 V618 R623 G624 L625	H581-E621 IonicContact CE1-OE2 3.69Å; H581-E621 IonicContact NE2-OE2 3.55Å; H581-E621 PolarHBondContact NE2-OE2 3.3Å; A617-E621 WeakPolarHBondContact O-CG 3.42Å; A617-E621 PolarHBondContact O-N 3.5Å; V618-E621 WeakPolarHBondContact O-CB 3.4Å; V618-E621 PolarHBondContact O-N 3.28Å; V618-E621 VanDerWaalsContact O-N 3.1Å; E621-R623 PolarHBondContact O-N 3.13Å; E621-G624 CarbonylContact O-C 3.58Å; E621-G624 WeakPolarHBondContact O-CA 3.36Å; E621-G624 PolarHBondContact O-N 3.13Å; E621-L625 PolarHBondContact O-N 3.44Å
622	L	93.6	Very high	82.6	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-59.2	-41.8	175.6	-69.2	174.5	0	0	0	113	L578 H581 V584 V605 V618 G624 L625 V626 F639	L578-L622 HydrophobicContact CB-CD2 4.43Å; L578-L622 HydrophobicContact CD2-CB 3.75Å; L578-L622 HydrophobicContact CD2-CD1 4.44Å; L578-L622 HydrophobicContact CD2-CD2 3.84Å; L578-L622 HydrophobicContact CD2-CG 4.21Å; H581-L622 HydrophobicContact CB-CD2 3.49Å; H581-L622 VanDerWaalsContact CB-CD2 3.49Å; V584-L622 HydrophobicContact CG2-CD1 3.96Å; V584-L622 HydrophobicContact CG2-CD2 3.74Å; V584-L622 HydrophobicContact CG2-CG 4.37Å; V605-L622 HydrophobicContact CG1-CD1 3.92Å; V605-L622 HydrophobicContact CG2-CD1 4.2Å; V618-L622 HydrophobicContact CG1-CD1 4.06Å; V618-L622 HydrophobicContact CG1-CG 4.24Å; V618-L622 VanDerWaalsContact O-CG 3.29Å; V618-L622 WeakPolarHBondContact O-CG 3.38Å; V618-L622 PolarHBondContact O-N 2.97Å; L622-G624 VanDerWaalsContact C-N 3.27Å; L622-G624 PolarHBondContact O-N 3.08Å; L622-L625 HydrophobicContact CD2-CD1 4.3Å; L622-L625 PolarHBondContact O-N 3Å; L622-V626 PolarHBondContact O-N 3.03Å; L622-V626 VanDerWaalsContact O-N 3.1Å; L622-F639 HydrophobicContact CB-CE1 3.84Å; L622-F639 HydrophobicContact CB-CZ 4.36Å; L622-F639 HydrophobicContact CD1-CD1 4.42Å; L622-F639 HydrophobicContact CD1-CE1 4.32Å
623	R	92.8	Very high	82.3	Confident	90 Å²	90	71.1 Å²	71.1	34%	0.34	37%	0.365	S	S	.	.	H	α-helix	trans	-58.6	-41.4	172.3	-74.3	179.4	176.9	-75.8	-0.7	111.7	V619 K620 E621 A627 V635 P636 D637 F639	V619-R623 WeakPolarHBondContact O-CG 3.36Å; V619-R623 PolarHBondContact O-N 3.16Å; V619-R623 VanDerWaalsContact O-N 3.11Å; K620-R623 PolarHBondContact O-N 3.35Å; E621-R623 PolarHBondContact O-N 3.13Å; R623-A627 WeakPolarHBondContact O-CB 3.21Å; R623-A627 PolarHBondContact O-N 2.96Å; R623-A627 VanDerWaalsContact O-N 3.16Å; R623-V635 HydrophobicContact CB-CG1 3.99Å; R623-V635 HydrophobicContact CG-CG1 3.81Å; R623-P636 PolarHBondContact NH1-O 3.18Å; R623-D637 PolarHBondContact NH2-O 3.26Å; R623-F639 HydrophobicContact CG-CD2 4.22Å; R623-F639 HydrophobicContact CG-CE2 3.42Å; R623-F639 VanDerWaalsContact CG-CE2 3.42Å; R623-F639 HydrophobicContact CG-CZ 3.8Å
624	G	82.5	Confident	82	Confident	40 Å²	40	69.1 Å²	69.1	41%	0.412	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-43.3	176.7	0	0	0	0	0	112.8	K620 E621 L622 A627 A628	K620-G624 PolarHBondContact O-N 3.37Å; E621-G624 CarbonylContact O-C 3.58Å; E621-G624 WeakPolarHBondContact O-CA 3.36Å; E621-G624 PolarHBondContact O-N 3.13Å; L622-G624 VanDerWaalsContact C-N 3.27Å; L622-G624 PolarHBondContact O-N 3.08Å; G624-A627 PolarHBondContact O-N 2.98Å; G624-A628 WeakPolarHBondContact O-CB 3.29Å; G624-A628 PolarHBondContact O-N 3.06Å
625	L	84.6	Confident	82.1	Confident	47 Å²	47	65.2 Å²	65.2	25%	0.246	33%	0.334	C	S	.	.	H	α-helix	trans	-60.3	-51.5	178.5	-78.9	169.4	0	0	0	112.2	H581 E621 L622 A627 A628 K629	H581-L625 HydrophobicContact CB-CD1 3.73Å; E621-L625 PolarHBondContact O-N 3.44Å; L622-L625 HydrophobicContact CD2-CD1 4.3Å; L622-L625 PolarHBondContact O-N 3Å; L625-A627 VanDerWaalsContact C-N 3.3Å; L625-A627 PolarHBondContact O-N 3.23Å; L625-A628 PolarHBondContact O-N 3.23Å; L625-K629 WeakPolarHBondContact O-CB 3.31Å; L625-K629 PolarHBondContact O-N 3.47Å
626	V	78.9	Confident	82.4	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-40.6	178.7	176.4	0	0	0	0	111.2	I574 A577 L578 L622 A628 I630 A631 A634 V635	I574-V626 HydrophobicContact CG2-CG1 4.44Å; I574-V626 HydrophobicContact CG2-CG2 4.31Å; A577-V626 HydrophobicContact CB-CG2 4.31Å; L578-V626 HydrophobicContact CD2-CG2 3.52Å; L578-V626 HydrophobicContact CG-CG2 3.87Å; L622-V626 PolarHBondContact O-N 3.03Å; L622-V626 VanDerWaalsContact O-N 3.1Å; V626-A628 VanDerWaalsContact C-N 3.29Å; V626-A628 PolarHBondContact O-N 2.64Å; V626-I630 HydrophobicContact CG1-CD1 4.24Å; V626-I630 PolarHBondContact O-N 3.05Å; V626-A631 PolarHBondContact O-N 3.12Å; V626-A634 HydrophobicContact CG1-CB 3.92Å; V626-A634 WeakPolarHBondContact CG1-O 3.37Å; V626-V635 HydrophobicContact CB-CG2 4.33Å; V626-V635 HydrophobicContact CG1-CG2 4.19Å
627	A	73.9	Confident	82.6	Confident	35 Å²	35	54.1 Å²	54.1	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-63.7	-34.7	178	0	0	0	0	0	113	R623 G624 L625 K632 V635	R623-A627 WeakPolarHBondContact O-CB 3.21Å; R623-A627 PolarHBondContact O-N 2.96Å; R623-A627 VanDerWaalsContact O-N 3.16Å; G624-A627 PolarHBondContact O-N 2.98Å; L625-A627 VanDerWaalsContact C-N 3.3Å; L625-A627 PolarHBondContact O-N 3.23Å; A627-K632 HydrophobicContact CB-CG 4.38Å; A627-V635 HydrophobicContact CB-CG2 3.73Å
628	A	68.8	Low	82.8	Confident	88 Å²	88	54.9 Å²	54.9	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-82	-39	-178.4	0	0	0	0	0	112.9	G624 L625 V626	G624-A628 WeakPolarHBondContact O-CB 3.29Å; G624-A628 PolarHBondContact O-N 3.06Å; L625-A628 PolarHBondContact O-N 3.23Å; V626-A628 VanDerWaalsContact C-N 3.29Å; V626-A628 PolarHBondContact O-N 2.64Å
629	K	68.3	Low	82.9	Confident	102 Å²	102	55.2 Å²	55.2	44%	0.443	29%	0.285	S	S	.	.	H	α-helix	trans	-85.7	-36	-175.3	-76.6	179.1	164.1	-93.4	0	114	A577 E580 L625	A577-K629 HydrophobicContact CB-CB 4.25Å; A577-K629 HydrophobicContact CB-CD 4.13Å; E580-K629 VanDerWaalsContact CD-CE 3.42Å; E580-K629 WeakPolarHBondContact OE1-CE 3.4Å; E580-K629 IonicContact OE1-NZ 3.05Å; E580-K629 PolarHBondContact OE1-NZ 3.26Å; E580-K629 WeakPolarHBondContact OE2-CE 3.37Å; E580-K629 IonicContact OE2-NZ 3.88Å; E580-K629 PolarHBondContact OE2-NZ 3.34Å; L625-K629 WeakPolarHBondContact O-CB 3.31Å; L625-K629 PolarHBondContact O-N 3.47Å
630	I	69.8	Low	83.1	Confident	32 Å²	32	54.1 Å²	54.1	16%	0.164	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-80.4	-176.6	-53.2	176.6	0	0	0	108.3	L569 E573 I574 A577 V626 A634	L569-I630 HydrophobicContact CD1-CG2 3.9Å; L569-I630 HydrophobicContact CD2-CG2 4.22Å; E573-I630 HydrophobicContact CB-CD1 4.42Å; E573-I630 HydrophobicContact CG-CD1 3.88Å; E573-I630 HydrophobicContact CG-CG1 4.22Å; E573-I630 WeakPolarHBondContact O-CD1 3.41Å; I574-I630 HydrophobicContact CB-CD1 4.42Å; I574-I630 HydrophobicContact CG1-CD1 4.18Å; A577-I630 HydrophobicContact CB-CD1 3.94Å; A577-I630 HydrophobicContact CB-CG1 4.24Å; V626-I630 HydrophobicContact CG1-CD1 4.24Å; V626-I630 PolarHBondContact O-N 3.05Å; I630-A634 HydrophobicContact CB-CB 3.84Å; I630-A634 HydrophobicContact CD1-CB 4.49Å; I630-A634 HydrophobicContact CG2-CB 3.41Å; I630-A634 VanDerWaalsContact CG2-CB 3.41Å
631	A	66.1	Low	83.1	Confident	19 Å²	19	48.2 Å²	48.2	16%	0.157	26%	0.256	C	S	.	.			trans	-176	163.5	177.5	0	0	0	0	0	110.7	V626 Y633 A634	V626-A631 PolarHBondContact O-N 3.12Å; A631-Y633 VanDerWaalsContact C-N 3.26Å; A631-Y633 HydrophobicContact CB-CD1 3.48Å; A631-Y633 VanDerWaalsContact CB-CD1 3.48Å; A631-Y633 HydrophobicContact CB-CD2 4.39Å; A631-Y633 HydrophobicContact CB-CE1 3.16Å; A631-Y633 HydrophobicContact CB-CE2 4.12Å; A631-Y633 HydrophobicContact CB-CG 4.08Å; A631-Y633 PolarHBondContact O-N 3.35Å; A631-A634 WeakPolarHBondContact O-CB 3.47Å; A631-A634 PolarHBondContact O-N 3.37Å; A631-A634 VanDerWaalsContact O-N 3.08Å
632	K	74.1	Confident	83.1	Confident	186 Å²	186	43.9 Å²	43.9	81%	0.809	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-59	-33.5	174	-70.4	-175	179.6	178.2	0	113.8	A627 A634 V635	A627-K632 HydrophobicContact CB-CG 4.38Å; K632-A634 VanDerWaalsContact C-N 3.27Å; K632-A634 PolarHBondContact O-N 3.44Å; K632-V635 WeakPolarHBondContact O-CG2 3.31Å
633	Y	72.6	Confident	82.9	Confident	100 Å²	100	52.4 Å²	52.4	39%	0.392	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-73	-21	178.9	63.9	-104.1	0	0	0	112.8	H567 A631 V635	H567-Y633 HydrophobicContact CB-CD2 4.07Å; H567-Y633 HydrophobicContact CB-CE2 3.75Å; H567-Y633 AromaticContact CD2-CE1 3.96Å; H567-Y633 AromaticContact CD2-CZ 3.85Å; A631-Y633 VanDerWaalsContact C-N 3.26Å; A631-Y633 HydrophobicContact CB-CD1 3.48Å; A631-Y633 VanDerWaalsContact CB-CD1 3.48Å; A631-Y633 HydrophobicContact CB-CD2 4.39Å; A631-Y633 HydrophobicContact CB-CE1 3.16Å; A631-Y633 HydrophobicContact CB-CE2 4.12Å; A631-Y633 HydrophobicContact CB-CG 4.08Å; A631-Y633 PolarHBondContact O-N 3.35Å; Y633-V635 VanDerWaalsContact C-N 3.32Å
634	A	76.2	Confident	82.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-81.1	-12.2	-179.8	0	0	0	0	0	113.2	L569 V626 I630 A631 K632 P636	L569-A634 HydrophobicContact CD2-CB 3.35Å; V626-A634 HydrophobicContact CG1-CB 3.92Å; V626-A634 WeakPolarHBondContact CG1-O 3.37Å; I630-A634 HydrophobicContact CB-CB 3.84Å; I630-A634 HydrophobicContact CD1-CB 4.49Å; I630-A634 HydrophobicContact CG2-CB 3.41Å; I630-A634 VanDerWaalsContact CG2-CB 3.41Å; A631-A634 WeakPolarHBondContact O-CB 3.47Å; A631-A634 PolarHBondContact O-N 3.37Å; A631-A634 VanDerWaalsContact O-N 3.08Å; K632-A634 VanDerWaalsContact C-N 3.27Å; K632-A634 PolarHBondContact O-N 3.44Å; A634-P636 WeakPolarHBondContact O-CD 3.42Å
635	V	89.7	Confident	83.2	Confident	19 Å²	19	50.3 Å²	50.3	12%	0.115	25%	0.253	C	S	.	.	S	Bend	trans	-62.7	123.5	-178.3	179.3	0	0	0	0	109.4	R623 V626 A627 K632 Y633 D637 F639	R623-V635 HydrophobicContact CB-CG1 3.99Å; R623-V635 HydrophobicContact CG-CG1 3.81Å; V626-V635 HydrophobicContact CB-CG2 4.33Å; V626-V635 HydrophobicContact CG1-CG2 4.19Å; A627-V635 HydrophobicContact CB-CG2 3.73Å; K632-V635 WeakPolarHBondContact O-CG2 3.31Å; Y633-V635 VanDerWaalsContact C-N 3.32Å; V635-D637 PolarHBondContact O-N 3.39Å; V635-F639 HydrophobicContact CG1-CE2 4.5Å
636	P	93.3	Very high	83.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.			trans	-55.7	132.6	175.3	-23.9	30.4	0	0	0	112	I574 P601 A603 R623 A634 H638 F639	I574-P636 HydrophobicContact CG2-CG 4.01Å; P601-P636 HydrophobicContact CB-CB 4.02Å; P601-P636 HydrophobicContact CB-CG 4.1Å; P601-P636 CarbonylContact O-C 3.37Å; P601-P636 VanDerWaalsContact O-CA 3.31Å; P601-P636 WeakPolarHBondContact O-CA 3.43Å; P601-P636 WeakPolarHBondContact O-CB 3.26Å; A603-P636 HydrophobicContact CB-CB 3.87Å; A603-P636 HydrophobicContact CB-CG 3.79Å; R623-P636 PolarHBondContact NH1-O 3.18Å; A634-P636 WeakPolarHBondContact O-CD 3.42Å; P636-H638 WeakPolarHBondContact CB-O 3.39Å; P636-F639 HydrophobicContact CB-CD2 4.12Å; P636-F639 HydrophobicContact CB-CE1 4.45Å; P636-F639 HydrophobicContact CB-CE2 3.64Å; P636-F639 HydrophobicContact CB-CZ 3.84Å; P636-F639 HydrophobicContact CG-CE1 4.19Å; P636-F639 HydrophobicContact CG-CE2 4Å; P636-F639 HydrophobicContact CG-CZ 3.66Å; P636-F639 WeakPolarHBondContact O-CE2 3.41Å
637	D	90.1	Very high	83.7	Confident	45 Å²	45	50.2 Å²	50.2	24%	0.241	25%	0.251	C	S	.	.	S	Bend	trans	-70.8	-32.7	174.4	-82.9	10.2	0	0	0	109.3	H594 K597 V600 P601 R623 V635	H594-D637 IonicContact CD2-OD2 3.71Å; H594-D637 IonicContact NE2-OD2 3.04Å; K597-D637 VanDerWaalsContact NZ-CG 3.31Å; K597-D637 IonicContact NZ-OD1 3.62Å; K597-D637 PolarHBondContact NZ-OD1 3.37Å; K597-D637 IonicContact NZ-OD2 3.79Å; K597-D637 PolarHBondContact NZ-OD2 3.46Å; V600-D637 HydrophobicContact CB-CB 4.14Å; V600-D637 WeakPolarHBondContact CG1-OD2 3.17Å; V600-D637 HydrophobicContact CG2-CB 3.98Å; P601-D637 PolarHBondContact O-N 2.98Å; R623-D637 PolarHBondContact NH2-O 3.26Å; V635-D637 PolarHBondContact O-N 3.39Å
638	H	93.9	Very high	83.8	Confident	53 Å²	53	49.1 Å²	49.1	25%	0.245	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.4	-179.8	-58.1	-79.4	0	0	0	112	I592 F602 A603 P636 Y691	I592-H638 VanDerWaalsContact CD1-CD2 3.44Å; I592-H638 WeakPolarHBondContact CD1-CD2 3.36Å; F602-H638 HydrophobicContact CB-CB 4.22Å; F602-H638 HydrophobicContact CD1-CB 4.19Å; F602-H638 HydrophobicContact CD2-CB 3.31Å; F602-H638 AromaticContact CD2-CD2 3.93Å; F602-H638 AromaticContact CD2-CG 3.65Å; F602-H638 HydrophobicContact CE1-CB 4.38Å; F602-H638 HydrophobicContact CE2-CB 3.55Å; F602-H638 AromaticContact CE2-CG 3.87Å; F602-H638 HydrophobicContact CG-CB 3.64Å; F602-H638 HydrophobicContact CZ-CB 4.08Å; A603-H638 PolarHBondContact N-O 2.86Å; P636-H638 WeakPolarHBondContact CB-O 3.39Å; H638-Y691 AromaticContact ND1-CE1 3.8Å; H638-Y691 AromaticContact ND1-CZ 3.76Å; H638-Y691 PolarHBondContact ND1-OH 3.15Å
639	F	94.9	Very high	83.5	Confident	12 Å²	12	48.6 Å²	48.6	5%	0.053	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	112.1	170.9	-75.6	-97.6	0	0	0	108	L578 A603 V605 V619 L622 R623 V635 P636 Y691	L578-F639 HydrophobicContact CD2-CE1 3.76Å; L578-F639 HydrophobicContact CD2-CZ 4.31Å; A603-F639 HydrophobicContact CB-CD1 3.97Å; A603-F639 HydrophobicContact CB-CE1 4.13Å; A603-F639 HydrophobicContact CB-CG 4.49Å; A603-F639 CarbonylContact O-C 3.33Å; A603-F639 WeakPolarHBondContact O-CA 3.29Å; V605-F639 HydrophobicContact CG2-CD1 3.94Å; V619-F639 HydrophobicContact CG1-CB 3.7Å; V619-F639 HydrophobicContact CG1-CD1 4.28Å; V619-F639 HydrophobicContact CG1-CD2 4.05Å; V619-F639 HydrophobicContact CG1-CG 3.76Å; V619-F639 HydrophobicContact CG2-CB 4.16Å; L622-F639 HydrophobicContact CB-CE1 3.84Å; L622-F639 HydrophobicContact CB-CZ 4.36Å; L622-F639 HydrophobicContact CD1-CD1 4.42Å; L622-F639 HydrophobicContact CD1-CE1 4.32Å; R623-F639 HydrophobicContact CG-CD2 4.22Å; R623-F639 HydrophobicContact CG-CE2 3.42Å; R623-F639 VanDerWaalsContact CG-CE2 3.42Å; R623-F639 HydrophobicContact CG-CZ 3.8Å; V635-F639 HydrophobicContact CG1-CE2 4.5Å; P636-F639 HydrophobicContact CB-CD2 4.12Å; P636-F639 HydrophobicContact CB-CE1 4.45Å; P636-F639 HydrophobicContact CB-CE2 3.64Å; P636-F639 HydrophobicContact CB-CZ 3.84Å; P636-F639 HydrophobicContact CG-CE1 4.19Å; P636-F639 HydrophobicContact CG-CE2 4Å; P636-F639 HydrophobicContact CG-CZ 3.66Å; P636-F639 WeakPolarHBondContact O-CE2 3.41Å; F639-Y691 WeakPolarHBondContact O-CE2 3.48Å
640	L	95.1	Very high	82.7	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.8	174.4	-177	64.4	0	0	0	109.4	F602 A603 F604 V605 V642 A687 H688 Y691	F602-L640 HydrophobicContact CE1-CB 3.53Å; F602-L640 HydrophobicContact CE1-CD2 4.26Å; F602-L640 HydrophobicContact CZ-CB 3.87Å; F602-L640 HydrophobicContact CZ-CD2 4.31Å; A603-L640 PolarHBondContact O-N 2.9Å; F604-L640 WeakPolarHBondContact CA-O 3.49Å; F604-L640 HydrophobicContact CD1-CB 4.35Å; F604-L640 HydrophobicContact CD1-CD2 3.82Å; F604-L640 HydrophobicContact CD1-CG 4.45Å; F604-L640 HydrophobicContact CE1-CD2 3.61Å; V605-L640 PolarHBondContact N-O 2.83Å; L640-V642 HydrophobicContact CD2-CG1 3.93Å; L640-V642 HydrophobicContact CG-CG1 3.84Å; L640-V642 PolarHBondContact O-N 3.09Å; L640-A687 HydrophobicContact CD1-CB 4.37Å; L640-H688 HydrophobicContact CD2-CB 3.99Å; L640-Y691 HydrophobicContact CD1-CD1 4.46Å; L640-Y691 HydrophobicContact CD1-CD2 4.16Å; L640-Y691 HydrophobicContact CD1-CG 3.77Å
641	V	93.3	Very high	82.3	Confident	41 Å²	41	44.7 Å²	44.7	25%	0.248	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.3	172.1	-179.2	0	0	0	0	108.9	V605 L607 V619	V605-V641 CarbonylContact O-C 3.57Å; V605-V641 VanDerWaalsContact O-CA 3.3Å; V605-V641 WeakPolarHBondContact O-CA 3.44Å; L607-V641 HydrophobicContact CD1-CG1 3.86Å; L607-V641 HydrophobicContact CD1-CG2 4.22Å; L607-V641 HydrophobicContact CG-CG1 3.99Å; V619-V641 HydrophobicContact CG2-CG2 4.15Å
642	V	93.4	Very high	82.7	Confident	8 Å²	8	48.7 Å²	48.7	5%	0.048	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	156.6	178.5	-62.6	0	0	0	0	110	F604 V605 V606 L640 R644 L645 I684 A687	F604-V642 HydrophobicContact CB-CG2 4.39Å; F604-V642 HydrophobicContact CD1-CG1 4.11Å; V605-V642 PolarHBondContact O-N 2.83Å; V606-V642 WeakPolarHBondContact CA-O 3.25Å; V606-V642 HydrophobicContact CG2-CG2 4.03Å; L640-V642 HydrophobicContact CD2-CG1 3.93Å; L640-V642 HydrophobicContact CG-CG1 3.84Å; L640-V642 PolarHBondContact O-N 3.09Å; V642-R644 VanDerWaalsContact C-N 3.33Å; V642-L645 HydrophobicContact CG2-CD2 4.04Å; V642-I684 HydrophobicContact CB-CG1 4.41Å; V642-I684 HydrophobicContact CG1-CG1 4.17Å; V642-I684 HydrophobicContact CG1-CG2 4.38Å; V642-A687 HydrophobicContact CG1-CB 4.43Å
643	K	89.3	Confident	83.2	Confident	178 Å²	178	40.6 Å²	40.6	77%	0.774	19%	0.189	S	C	*	.	S	Bend	trans	-69.3	-33.1	178	-68.1	-171.4	175	-169.1	0	112.8	V606	V606-K643 WeakPolarHBondContact CG1-O 3.47Å
644	R	88.9	Confident	83.8	Confident	79 Å²	79	37.2 Å²	37.2	30%	0.298	18%	0.177	S	C	.	.			trans	-166.7	157.7	-174.1	39.8	169.7	-177.8	176.7	7.9	110.2	V642 D677 S679 V680 E683	V642-R644 VanDerWaalsContact C-N 3.33Å; R644-D677 IonicContact CZ-OD2 2.92Å; R644-D677 IonicContact NH1-OD2 3.77Å; R644-D677 PolarHBondContact NH1-OD2 2.89Å; R644-D677 IonicContact NH2-OD2 2.86Å; R644-D677 PolarHBondContact NH2-OD2 3.11Å; R644-S679 PolarHBondContact NH2-OG 3.09Å; R644-V680 HydrophobicContact CB-CG2 4.36Å; R644-V680 HydrophobicContact CG-CG2 3.66Å; R644-V680 WeakPolarHBondContact O-CG2 3.36Å; R644-E683 IonicContact CZ-OE1 2.72Å; R644-E683 IonicContact CZ-OE2 3.86Å; R644-E683 IonicContact NE-OE1 3.72Å; R644-E683 IonicContact NE-OE2 2.72Å; R644-E683 PolarHBondContact NE-OE2 3.36Å; R644-E683 IonicContact NH2-OE1 3.82Å; R644-E683 PolarHBondContact NH2-OE1 2.68Å; R644-E683 IonicContact NH2-OE2 2.77Å
645	L	92.8	Very high	84.2	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.042	18%	0.184	C	C	.	.			trans	-95.1	151.8	179.7	-63.8	170.4	0	0	0	112.2	E586 A588 F604 V606 V642 K647 I653 L658	E586-L645 HydrophobicContact CB-CD1 4.24Å; E586-L645 HydrophobicContact CG-CD1 3.92Å; A588-L645 HydrophobicContact CB-CD1 3.92Å; A588-L645 HydrophobicContact CB-CD2 3.81Å; A588-L645 HydrophobicContact CB-CG 4.48Å; F604-L645 HydrophobicContact CB-CD2 3.73Å; V606-L645 HydrophobicContact CG2-CD1 4.43Å; V606-L645 HydrophobicContact CG2-CD2 4.49Å; V606-L645 HydrophobicContact CG2-CG 3.89Å; V642-L645 HydrophobicContact CG2-CD2 4.04Å; L645-K647 PolarHBondContact O-N 2.87Å; L645-K647 VanDerWaalsContact O-N 3.07Å; L645-I653 HydrophobicContact CB-CG1 4.48Å; L645-I653 HydrophobicContact CD1-CD1 3.84Å; L645-I653 HydrophobicContact CD1-CG1 4.32Å; L645-L658 HydrophobicContact CD2-CD1 4.38Å
646	P	90	Very high	84	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.195	C	C	.	.			trans	-76.3	99.2	178.9	31.1	-30.2	0	0	0	109.4	M654 L658 L675 V680 I684	P646-M654 PolarHBondContact O-N 3.05Å; P646-L658 HydrophobicContact CG-CD1 4.42Å; P646-L658 HydrophobicContact CG-CD2 3.62Å; P646-L658 HydrophobicContact CG-CG 3.8Å; P646-L675 HydrophobicContact CB-CD1 4.47Å; P646-L675 HydrophobicContact CB-CD2 3.88Å; P646-V680 HydrophobicContact CB-CG1 3.89Å; P646-I684 HydrophobicContact CB-CD1 4.42Å; P646-I684 HydrophobicContact CG-CD1 4.06Å
647	K	84.3	Confident	83.8	Confident	45 Å²	45	42.6 Å²	42.6	20%	0.196	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-108.4	141.6	-177.6	-66.8	174.4	-178.1	173.7	0	111.8	E586 L645 G651 K652 I653 L675 D676	E586-K647 WeakPolarHBondContact OE1-CE 3.42Å; E586-K647 IonicContact OE1-NZ 2.65Å; E586-K647 PolarHBondContact OE1-NZ 3.37Å; E586-K647 IonicContact OE2-NZ 3.53Å; E586-K647 PolarHBondContact OE2-NZ 3.22Å; L645-K647 PolarHBondContact O-N 2.87Å; L645-K647 VanDerWaalsContact O-N 3.07Å; K647-G651 WeakPolarHBondContact CG-O 3.39Å; K647-K652 CarbonylContact C-O 3.49Å; K647-K652 WeakPolarHBondContact CA-O 3.39Å; K647-I653 HydrophobicContact CG-CG1 3.97Å; K647-L675 CarbonylContact O-C 3.49Å; K647-L675 WeakPolarHBondContact O-CA 3.44Å; K647-L675 WeakPolarHBondContact O-CD2 3.24Å; K647-D676 PolarHBondContact O-N 3.25Å
648	T	75.8	Confident	83.9	Confident	12 Å²	12	40.4 Å²	40.4	7%	0.074	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-67.8	167.5	167.6	65.6	0	0	0	0	110.8	S650 G651 K652 M654 T674	T648-S650 PolarHBondContact O-N 2.79Å; T648-S650 VanDerWaalsContact O-N 3.12Å; T648-S650 PolarHBondContact OG1-N 3.09Å; T648-S650 PolarHBondContact OG1-OG 2.92Å; T648-G651 WeakPolarHBondContact O-CA 3.09Å; T648-G651 PolarHBondContact O-N 3.05Å; T648-K652 HydrophobicContact CG2-CB 4.45Å; T648-K652 PolarHBondContact N-O 2.94Å; T648-K652 WeakPolarHBondContact OG1-CB 3.42Å; T648-K652 PolarHBondContact OG1-N 2.82Å; T648-K652 PolarHBondContact OG1-O 2.95Å; T648-M654 HydrophobicContact CG2-CG 3.68Å; T648-M654 HydrophobicContact CG2-SD 3.96Å; T648-T674 WeakPolarHBondContact CA-O 3.43Å; T648-T674 WeakPolarHBondContact CB-O 2.9Å
649	R	61	Low	83.6	Confident	76 Å²	76	40.1 Å²	40.1	29%	0.287	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.1	175.4	-52.4	-151.9	-163.8	168.2	-2.7	115	F205 G207 G651 T674 D676	F205-R649 HydrophobicContact CE1-CB 3.68Å; F205-R649 HydrophobicContact CE1-CG 3.78Å; F205-R649 HydrophobicContact CZ-CB 3.57Å; F205-R649 HydrophobicContact CZ-CG 4.08Å; G207-R649 VanDerWaalsContact O-CZ 3.3Å; G207-R649 PolarHBondContact O-NH2 3.06Å; R649-G651 VanDerWaalsContact C-N 3.34Å; R649-T674 PolarHBondContact N-O 2.79Å; R649-D676 HydrophobicContact CG-CB 4.44Å
650	S	52.6	Low	83.3	Confident	45 Å²	45	41.4 Å²	41.4	32%	0.315	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.9	169.9	57.1	0	0	0	0	112.9	W348 T648	W348-S650 WeakPolarHBondContact CZ2-OG 3.41Å; T648-S650 PolarHBondContact O-N 2.79Å; T648-S650 VanDerWaalsContact O-N 3.12Å; T648-S650 PolarHBondContact OG1-N 3.09Å; T648-S650 PolarHBondContact OG1-OG 2.92Å
651	G	60.6	Low	83.1	Confident	8 Å²	8	41.2 Å²	41.2	8%	0.082	19%	0.185	C	C	.	.	S	Bend	trans	94.9	-12.1	178.3	0	0	0	0	0	115.1	T398 K647 T648 R649 I653	T398-G651 PolarHBondContact OG1-O 2.98Å; K647-G651 WeakPolarHBondContact CG-O 3.39Å; T648-G651 WeakPolarHBondContact O-CA 3.09Å; T648-G651 PolarHBondContact O-N 3.05Å; R649-G651 VanDerWaalsContact C-N 3.34Å; G651-I653 PolarHBondContact O-N 2.87Å
652	K	75.2	Confident	82.9	Confident	103 Å²	103	39.9 Å²	39.9	45%	0.448	18%	0.178	S	C	.	.			trans	-64	125.4	-177.5	-176.2	177.5	-179.2	170.9	0	112.5	E427 K647 T648 M654	E427-K652 WeakPolarHBondContact OE1-CA 3.41Å; E427-K652 PolarHBondContact OE1-N 2.89Å; K647-K652 CarbonylContact C-O 3.49Å; K647-K652 WeakPolarHBondContact CA-O 3.39Å; T648-K652 HydrophobicContact CG2-CB 4.45Å; T648-K652 PolarHBondContact N-O 2.94Å; T648-K652 WeakPolarHBondContact OG1-CB 3.42Å; T648-K652 PolarHBondContact OG1-N 2.82Å; T648-K652 PolarHBondContact OG1-O 2.95Å; K652-M654 PolarHBondContact O-N 3.4Å
653	I	84.4	Confident	82.6	Confident	16 Å²	16	43 Å²	43	8%	0.082	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-67	126.5	174.1	-61	161.4	0	0	0	110	A588 L645 K647 G651 R655 L658	A588-I653 HydrophobicContact CB-CD1 4.29Å; A588-I653 HydrophobicContact CB-CG2 3.93Å; L645-I653 HydrophobicContact CB-CG1 4.48Å; L645-I653 HydrophobicContact CD1-CD1 3.84Å; L645-I653 HydrophobicContact CD1-CG1 4.32Å; K647-I653 HydrophobicContact CG-CG1 3.97Å; G651-I653 PolarHBondContact O-N 2.87Å; I653-R655 VanDerWaalsContact C-N 3.34Å; I653-R655 HydrophobicContact CG2-CG 4.14Å; I653-R655 PolarHBondContact O-N 3.21Å; I653-R655 VanDerWaalsContact O-N 3.07Å; I653-L658 HydrophobicContact CG2-CD1 3.93Å
654	M	84.1	Confident	82.4	Confident	28 Å²	28	40 Å²	40	14%	0.138	18%	0.182	C	C	.	.			trans	-84	72.6	177.2	-67.4	-162.5	73.4	0	0	111.5	P646 T648 K652 R656 I657 T674 L675	P646-M654 PolarHBondContact O-N 3.05Å; T648-M654 HydrophobicContact CG2-CG 3.68Å; T648-M654 HydrophobicContact CG2-SD 3.96Å; K652-M654 PolarHBondContact O-N 3.4Å; M654-R656 PolarHBondContact O-N 3.32Å; M654-R656 VanDerWaalsContact O-N 3.1Å; M654-I657 HydrophobicContact CB-CD1 3.86Å; M654-I657 HydrophobicContact CB-CG1 4.16Å; M654-I657 HydrophobicContact CE-CD1 4.09Å; M654-I657 HydrophobicContact CG-CD1 4.47Å; M654-I657 WeakPolarHBondContact O-CB 3.32Å; M654-I657 PolarHBondContact O-N 3.1Å; M654-I657 HydrophobicContact SD-CD1 3.85Å; M654-T674 PolarHBondContact SD-OG1 2.91Å; M654-T674 VanDerWaalsContact SD-OG1 3.4Å; M654-L675 HydrophobicContact CB-CD2 4.27Å; M654-L675 HydrophobicContact CG-CD2 3.77Å; M654-L675 HydrophobicContact SD-CD2 3.35Å; M654-L675 WeakPolarHBondContact SD-CD2 3.24Å; M654-L675 HydrophobicContact SD-CG 3.77Å
655	R	85.8	Confident	82.2	Confident	40 Å²	40	41.3 Å²	41.3	15%	0.151	19%	0.191	C	C	.	.	H	α-helix	trans	-54.4	-30	-179.7	-69.5	-174.2	179.1	76.6	2.8	114.2	E575 I590 I653 I657 L658 R659	E575-R655 IonicContact OE1-CZ 3.55Å; E575-R655 IonicContact OE1-NE 3.29Å; E575-R655 PolarHBondContact OE1-NE 2.9Å; E575-R655 VanDerWaalsContact OE1-NE 3.13Å; E575-R655 IonicContact OE1-NH2 2.62Å; E575-R655 PolarHBondContact OE1-NH2 2.88Å; E575-R655 IonicContact OE2-CZ 2.72Å; E575-R655 IonicContact OE2-NH2 2.71Å; E575-R655 PolarHBondContact OE2-NH2 3.43Å; I590-R655 HydrophobicContact CG2-CB 4.09Å; I590-R655 HydrophobicContact CG2-CG 4.35Å; I653-R655 VanDerWaalsContact C-N 3.34Å; I653-R655 HydrophobicContact CG2-CG 4.14Å; I653-R655 PolarHBondContact O-N 3.21Å; I653-R655 VanDerWaalsContact O-N 3.07Å; R655-I657 VanDerWaalsContact C-N 3.28Å; R655-I657 PolarHBondContact O-N 2.83Å; R655-L658 WeakPolarHBondContact O-CB 3.33Å; R655-L658 PolarHBondContact O-N 3.27Å; R655-R659 WeakPolarHBondContact O-CB 3.44Å; R655-R659 PolarHBondContact O-N 3.42Å
656	R	85.4	Confident	81.7	Confident	91 Å²	91	43.9 Å²	43.9	34%	0.343	21%	0.207	S	C	.	.	H	α-helix	trans	-55.6	-40.6	173.2	-174.4	-178.5	63	70.5	1.6	112.7	M654 K660 L669 D671	M654-R656 PolarHBondContact O-N 3.32Å; M654-R656 VanDerWaalsContact O-N 3.1Å; R656-K660 WeakPolarHBondContact O-CG 3.34Å; R656-K660 PolarHBondContact O-N 3.28Å; R656-L669 PolarHBondContact NH1-O 2.86Å; R656-L669 PolarHBondContact NH2-O 3.35Å; R656-L669 VanDerWaalsContact NH2-O 3.16Å; R656-D671 PolarHBondContact NH2-O 3.31Å; R656-D671 VanDerWaalsContact NH2-O 3.17Å
657	I	88.2	Confident	80.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-69.2	-48.7	178.3	-62.3	175.1	0	0	0	109.3	M654 R655 R659 K660 V661 L669 V672 L675 V681	M654-I657 HydrophobicContact CB-CD1 3.86Å; M654-I657 HydrophobicContact CB-CG1 4.16Å; M654-I657 HydrophobicContact CE-CD1 4.09Å; M654-I657 HydrophobicContact CG-CD1 4.47Å; M654-I657 WeakPolarHBondContact O-CB 3.32Å; M654-I657 PolarHBondContact O-N 3.1Å; M654-I657 HydrophobicContact SD-CD1 3.85Å; R655-I657 VanDerWaalsContact C-N 3.28Å; R655-I657 PolarHBondContact O-N 2.83Å; I657-R659 PolarHBondContact O-N 3.37Å; I657-K660 PolarHBondContact O-N 3.16Å; I657-K660 VanDerWaalsContact O-N 3.13Å; I657-V661 HydrophobicContact CG2-CG2 4.42Å; I657-V661 WeakPolarHBondContact O-CG2 3.48Å; I657-V661 PolarHBondContact O-N 2.97Å; I657-L669 HydrophobicContact CG2-CD2 4.46Å; I657-V672 HydrophobicContact CD1-CG1 3.88Å; I657-L675 HydrophobicContact CD1-CD1 3.96Å; I657-L675 HydrophobicContact CD1-CD2 4.39Å; I657-L675 HydrophobicContact CD1-CG 4.45Å; I657-V681 HydrophobicContact CD1-CG2 4.3Å; I657-V681 HydrophobicContact CG2-CG1 4.01Å; I657-V681 HydrophobicContact CG2-CG2 4.19Å
658	L	92.1	Very high	80.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-54	-43.2	176.4	-63.8	-178.3	0	0	0	111.6	A588 I590 F604 L645 P646 I653 R655 V661 A662 I684	A588-L658 HydrophobicContact CB-CD1 3.49Å; A588-L658 VanDerWaalsContact CB-CD1 3.49Å; I590-L658 HydrophobicContact CG2-CB 4.27Å; F604-L658 HydrophobicContact CD1-CD2 3.76Å; F604-L658 HydrophobicContact CD2-CB 4.14Å; F604-L658 HydrophobicContact CD2-CD1 4Å; F604-L658 HydrophobicContact CD2-CD2 4.23Å; F604-L658 HydrophobicContact CD2-CG 4.36Å; F604-L658 HydrophobicContact CE1-CB 4.46Å; F604-L658 HydrophobicContact CE1-CD2 3.76Å; F604-L658 HydrophobicContact CE2-CB 3.68Å; F604-L658 HydrophobicContact CE2-CD1 4.4Å; F604-L658 HydrophobicContact CE2-CD2 4.26Å; F604-L658 HydrophobicContact CE2-CG 4.33Å; F604-L658 HydrophobicContact CG-CD1 4.23Å; F604-L658 HydrophobicContact CG-CD2 4Å; F604-L658 HydrophobicContact CZ-CB 3.85Å; F604-L658 HydrophobicContact CZ-CD2 4.02Å; F604-L658 HydrophobicContact CZ-CG 4.47Å; F604-L658 WeakPolarHBondContact CZ-O 3.21Å; L645-L658 HydrophobicContact CD2-CD1 4.38Å; P646-L658 HydrophobicContact CG-CD1 4.42Å; P646-L658 HydrophobicContact CG-CD2 3.62Å; P646-L658 HydrophobicContact CG-CG 3.8Å; I653-L658 HydrophobicContact CG2-CD1 3.93Å; R655-L658 WeakPolarHBondContact O-CB 3.33Å; R655-L658 PolarHBondContact O-N 3.27Å; L658-V661 PolarHBondContact O-N 3.48Å; L658-A662 WeakPolarHBondContact O-CB 3.33Å; L658-A662 PolarHBondContact O-N 3.08Å; L658-I684 HydrophobicContact CD2-CD1 4Å; L658-I684 HydrophobicContact CD2-CG2 4.33Å
659	R	89.1	Confident	80.4	Confident	47 Å²	47	51.2 Å²	51.2	18%	0.177	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-47.8	176.6	-164.7	179.9	-60.3	-106.3	16.3	112.5	D559 D560 I590 G591 R655 I657 V661 A662 M663	D559-R659 PolarHBondContact O-NH2 2.58Å; D559-R659 VanDerWaalsContact O-NH2 3.14Å; D560-R659 IonicContact OD1-NH2 3.55Å; D560-R659 PolarHBondContact OD1-NH2 2.62Å; I590-R659 VanDerWaalsContact CD1-CA 3.43Å; I590-R659 HydrophobicContact CD1-CB 4.06Å; I590-R659 HydrophobicContact CD1-CG 4.34Å; G591-R659 PolarHBondContact O-NH1 2.9Å; R655-R659 WeakPolarHBondContact O-CB 3.44Å; R655-R659 PolarHBondContact O-N 3.42Å; I657-R659 PolarHBondContact O-N 3.37Å; R659-V661 VanDerWaalsContact C-N 3.3Å; R659-V661 PolarHBondContact O-N 3.1Å; R659-A662 PolarHBondContact O-N 2.72Å; R659-M663 HydrophobicContact CG-CE 3.65Å; R659-M663 HydrophobicContact CG-CG 4.45Å; R659-M663 HydrophobicContact CG-SD 3.78Å; R659-M663 VanDerWaalsContact O-CB 3.29Å; R659-M663 WeakPolarHBondContact O-CB 3.43Å; R659-M663 VanDerWaalsContact O-CG 3.26Å; R659-M663 WeakPolarHBondContact O-CG 3.38Å; R659-M663 PolarHBondContact O-N 2.71Å
660	K	88	Confident	81	Confident	39 Å²	39	49.6 Å²	49.6	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-62.6	-36.3	175.6	-73.6	-162	169.3	-168.5	0	112.4	R656 I657 E664 Q665 D668 L669	R656-K660 WeakPolarHBondContact O-CG 3.34Å; R656-K660 PolarHBondContact O-N 3.28Å; I657-K660 PolarHBondContact O-N 3.16Å; I657-K660 VanDerWaalsContact O-N 3.13Å; K660-E664 PolarHBondContact O-N 3.24Å; K660-E664 VanDerWaalsContact O-N 3.16Å; K660-Q665 HydrophobicContact CB-CB 4.25Å; K660-Q665 HydrophobicContact CG-CB 4.38Å; K660-Q665 PolarHBondContact O-N 3.39Å; K660-D668 WeakPolarHBondContact CD-O 3.46Å; K660-D668 VanDerWaalsContact CE-O 3.3Å; K660-D668 WeakPolarHBondContact CE-O 3.3Å; K660-D668 PolarHBondContact NZ-O 3.47Å; K660-D668 IonicContact NZ-OD1 3.6Å; K660-D668 IonicContact NZ-OD2 2.85Å; K660-D668 PolarHBondContact NZ-OD2 2.92Å; K660-L669 HydrophobicContact CB-CD2 3.75Å; K660-L669 HydrophobicContact CD-CD2 4.38Å
661	V	90.9	Very high	81.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.2	-48.9	175.3	177.2	0	0	0	0	111.3	I657 L658 R659 M663 E664 T666 L669 I684 I685 H688	I657-V661 HydrophobicContact CG2-CG2 4.42Å; I657-V661 WeakPolarHBondContact O-CG2 3.48Å; I657-V661 PolarHBondContact O-N 2.97Å; L658-V661 PolarHBondContact O-N 3.48Å; R659-V661 VanDerWaalsContact C-N 3.3Å; R659-V661 PolarHBondContact O-N 3.1Å; V661-M663 VanDerWaalsContact C-N 3.26Å; V661-M663 PolarHBondContact O-N 3.26Å; V661-E664 PolarHBondContact O-N 3Å; V661-E664 VanDerWaalsContact O-N 3.08Å; V661-T666 HydrophobicContact CG2-CG2 4.41Å; V661-L669 HydrophobicContact CG2-CD2 4.49Å; V661-I684 HydrophobicContact CG1-CG2 4.16Å; V661-I685 HydrophobicContact CG1-CG1 4.24Å; V661-I685 HydrophobicContact CG2-CD1 4.5Å; V661-I685 HydrophobicContact CG2-CG1 3.72Å; V661-H688 HydrophobicContact CG1-CB 3.68Å; V661-H688 PolarHBondContact O-CE1 2.75Å; V661-H688 VanDerWaalsContact O-CE1 3.26Å; V661-H688 PolarHBondContact O-ND1 3.31Å
662	A	89.4	Confident	82.7	Confident	13 Å²	13	52.6 Å²	52.6	11%	0.107	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-31.1	179	0	0	0	0	0	112.9	I590 I592 F602 F604 L658 R659 E664	I590-A662 HydrophobicContact CD1-CB 3.58Å; I592-A662 HydrophobicContact CG2-CB 3.95Å; F602-A662 HydrophobicContact CD2-CB 3.89Å; F602-A662 HydrophobicContact CE2-CB 4.05Å; F602-A662 HydrophobicContact CG-CB 4.2Å; F602-A662 HydrophobicContact CZ-CB 4.47Å; F604-A662 HydrophobicContact CZ-CB 4.19Å; L658-A662 WeakPolarHBondContact O-CB 3.33Å; L658-A662 PolarHBondContact O-N 3.08Å; R659-A662 PolarHBondContact O-N 2.72Å; A662-E664 VanDerWaalsContact C-N 3.33Å
663	M	86.2	Confident	82.3	Confident	73 Å²	73	48.8 Å²	48.8	36%	0.36	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	6.6	175.6	-65.5	179.3	174.8	0	0	113.7	R659 V661 Q665	R659-M663 HydrophobicContact CG-CE 3.65Å; R659-M663 HydrophobicContact CG-CG 4.45Å; R659-M663 HydrophobicContact CG-SD 3.78Å; R659-M663 VanDerWaalsContact O-CB 3.29Å; R659-M663 WeakPolarHBondContact O-CB 3.43Å; R659-M663 VanDerWaalsContact O-CG 3.26Å; R659-M663 WeakPolarHBondContact O-CG 3.38Å; R659-M663 PolarHBondContact O-N 2.71Å; V661-M663 VanDerWaalsContact C-N 3.26Å; V661-M663 PolarHBondContact O-N 3.26Å; M663-Q665 HydrophobicContact CB-CG 4.31Å; M663-Q665 PolarHBondContact O-N 3.1Å
664	E	86.1	Confident	81.7	Confident	117 Å²	117	49 Å²	49	55%	0.547	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	24.4	177.9	-48.8	-173.5	-163.8	0	0	115	K660 V661 A662 T666 K692	K660-E664 PolarHBondContact O-N 3.24Å; K660-E664 VanDerWaalsContact O-N 3.16Å; V661-E664 PolarHBondContact O-N 3Å; V661-E664 VanDerWaalsContact O-N 3.08Å; A662-E664 VanDerWaalsContact C-N 3.33Å; E664-T666 PolarHBondContact O-N 2.82Å; E664-K692 VanDerWaalsContact OE1-CD 3.24Å; E664-K692 WeakPolarHBondContact OE1-CD 3.32Å; E664-K692 WeakPolarHBondContact OE1-CE 3.45Å; E664-K692 IonicContact OE1-NZ 3.79Å; E664-K692 PolarHBondContact OE1-NZ 2.68Å; E664-K692 IonicContact OE2-NZ 3.47Å; E664-K692 PolarHBondContact OE2-NZ 2.85Å
665	Q	84.2	Confident	81.4	Confident	105 Å²	105	47.7 Å²	47.7	49%	0.491	27%	0.269	S	S	.	.			trans	-98.2	49.4	179.4	-63.5	176.8	1.2	0	0	111.7	K660 M663 G667	K660-Q665 HydrophobicContact CB-CB 4.25Å; K660-Q665 HydrophobicContact CG-CB 4.38Å; K660-Q665 PolarHBondContact O-N 3.39Å; M663-Q665 HydrophobicContact CB-CG 4.31Å; M663-Q665 PolarHBondContact O-N 3.1Å; Q665-G667 VanDerWaalsContact C-N 3.32Å; Q665-G667 PolarHBondContact O-N 2.94Å
666	T	81.6	Confident	81	Confident	62 Å²	62	51.4 Å²	51.4	38%	0.38	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-12	-173.2	55.6	0	0	0	0	114.5	V661 E664 D668 I685	V661-T666 HydrophobicContact CG2-CG2 4.41Å; E664-T666 PolarHBondContact O-N 2.82Å; T666-D668 VanDerWaalsContact C-N 3.32Å; T666-D668 PolarHBondContact O-N 2.9Å; T666-I685 HydrophobicContact CG2-CD1 4.04Å; T666-I685 HydrophobicContact CG2-CG1 3.9Å; T666-I685 HydrophobicContact CG2-CG2 4.3Å
667	G	71.6	Confident	80.7	Confident	85 Å²	85	49.7 Å²	49.7	88%	0.876	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.3	-179.4	0	0	0	0	0	115.1	Q665	Q665-G667 VanDerWaalsContact C-N 3.32Å; Q665-G667 PolarHBondContact O-N 2.94Å
668	D	75.1	Confident	80.4	Confident	100 Å²	100	53 Å²	53	54%	0.535	31%	0.311	S	S	.	.			trans	-138.5	92.5	174.2	164.3	31	0	0	0	107.9	K660 T666 G670	K660-D668 WeakPolarHBondContact CD-O 3.46Å; K660-D668 VanDerWaalsContact CE-O 3.3Å; K660-D668 WeakPolarHBondContact CE-O 3.3Å; K660-D668 PolarHBondContact NZ-O 3.47Å; K660-D668 IonicContact NZ-OD1 3.6Å; K660-D668 IonicContact NZ-OD2 2.85Å; K660-D668 PolarHBondContact NZ-OD2 2.92Å; T666-D668 VanDerWaalsContact C-N 3.32Å; T666-D668 PolarHBondContact O-N 2.9Å; D668-G670 VanDerWaalsContact C-N 3.31Å; D668-G670 PolarHBondContact OD1-N 2.8Å; D668-G670 VanDerWaalsContact OD1-N 3.15Å
669	L	76.9	Confident	80	Confident	26 Å²	26	55.6 Å²	55.6	14%	0.136	33%	0.33	C	S	.	.			trans	-90.6	4.8	178.1	-65.9	170	0	0	0	112.8	R656 I657 K660 V661 V672 V681 I685	R656-L669 PolarHBondContact NH1-O 2.86Å; R656-L669 PolarHBondContact NH2-O 3.35Å; R656-L669 VanDerWaalsContact NH2-O 3.16Å; I657-L669 HydrophobicContact CG2-CD2 4.46Å; K660-L669 HydrophobicContact CB-CD2 3.75Å; K660-L669 HydrophobicContact CD-CD2 4.38Å; V661-L669 HydrophobicContact CG2-CD2 4.49Å; L669-V672 HydrophobicContact CB-CG1 4.36Å; L669-V681 HydrophobicContact CD1-CG1 3.52Å; L669-I685 HydrophobicContact CD1-CD1 3.89Å
670	G	73	Confident	80.1	Confident	42 Å²	42	53.5 Å²	53.5	43%	0.433	32%	0.322	S	S	.	.			trans	57.8	-159.8	-170.8	0	0	0	0	0	113.3	D668 V672	D668-G670 VanDerWaalsContact C-N 3.31Å; D668-G670 PolarHBondContact OD1-N 2.8Å; D668-G670 VanDerWaalsContact OD1-N 3.15Å; G670-V672 PolarHBondContact O-N 2.97Å
671	D	69.8	Low	80.2	Confident	70 Å²	70	52.2 Å²	52.2	37%	0.374	32%	0.317	S	S	.	.			trans	-69.7	121.4	-179.6	-176.3	9.2	0	0	0	112	R656 S673	R656-D671 PolarHBondContact NH2-O 3.31Å; R656-D671 VanDerWaalsContact NH2-O 3.17Å; D671-S673 VanDerWaalsContact OD1-CB 3.22Å; D671-S673 WeakPolarHBondContact OD1-CB 3.41Å; D671-S673 PolarHBondContact OD1-N 3.43Å; D671-S673 PolarHBondContact OD1-OG 2.88Å; D671-S673 PolarHBondContact OD2-OG 2.86Å
672	V	79.1	Confident	80.1	Confident	47 Å²	47	55.3 Å²	55.3	29%	0.285	34%	0.343	S	S	.	.			trans	-111.7	0.2	176.6	-60.9	0	0	0	0	112.8	I657 L669 G670 T674 L675	I657-V672 HydrophobicContact CD1-CG1 3.88Å; L669-V672 HydrophobicContact CB-CG1 4.36Å; G670-V672 PolarHBondContact O-N 2.97Å; V672-T674 PolarHBondContact O-N 3.37Å; V672-L675 HydrophobicContact CB-CD1 4.04Å; V672-L675 WeakPolarHBondContact O-CB 3.49Å; V672-L675 WeakPolarHBondContact O-CG 3.42Å; V672-L675 PolarHBondContact O-N 3.42Å; V672-L675 VanDerWaalsContact O-N 3.16Å
673	S	68.1	Low	80.2	Confident	23 Å²	23	58.1 Å²	58.1	16%	0.161	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.8	-176.5	67.6	0	0	0	0	113.6	D671 L675	D671-S673 VanDerWaalsContact OD1-CB 3.22Å; D671-S673 WeakPolarHBondContact OD1-CB 3.41Å; D671-S673 PolarHBondContact OD1-N 3.43Å; D671-S673 PolarHBondContact OD1-OG 2.88Å; D671-S673 PolarHBondContact OD2-OG 2.86Å; S673-L675 PolarHBondContact O-N 3.08Å
674	T	71	Confident	80.6	Confident	19 Å²	19	54.8 Å²	54.8	12%	0.117	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.5	178.8	69.9	0	0	0	0	113.6	F208 T648 R649 M654 V672	F208-T674 HydrophobicContact CD1-CG2 3.95Å; F208-T674 HydrophobicContact CE1-CG2 3.38Å; F208-T674 HydrophobicContact CZ-CG2 3.87Å; T648-T674 WeakPolarHBondContact CA-O 3.43Å; T648-T674 WeakPolarHBondContact CB-O 2.9Å; R649-T674 PolarHBondContact N-O 2.79Å; M654-T674 PolarHBondContact SD-OG1 2.91Å; M654-T674 VanDerWaalsContact SD-OG1 3.4Å; V672-T674 PolarHBondContact O-N 3.37Å
675	L	77.5	Confident	80.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-66.1	146.6	177.5	-67.7	175.7	0	0	0	111.5	P646 K647 M654 I657 V672 S673 V680 V681	P646-L675 HydrophobicContact CB-CD1 4.47Å; P646-L675 HydrophobicContact CB-CD2 3.88Å; K647-L675 CarbonylContact O-C 3.49Å; K647-L675 WeakPolarHBondContact O-CA 3.44Å; K647-L675 WeakPolarHBondContact O-CD2 3.24Å; M654-L675 HydrophobicContact CB-CD2 4.27Å; M654-L675 HydrophobicContact CG-CD2 3.77Å; M654-L675 HydrophobicContact SD-CD2 3.35Å; M654-L675 WeakPolarHBondContact SD-CD2 3.24Å; M654-L675 HydrophobicContact SD-CG 3.77Å; I657-L675 HydrophobicContact CD1-CD1 3.96Å; I657-L675 HydrophobicContact CD1-CD2 4.39Å; I657-L675 HydrophobicContact CD1-CG 4.45Å; V672-L675 HydrophobicContact CB-CD1 4.04Å; V672-L675 WeakPolarHBondContact O-CB 3.49Å; V672-L675 WeakPolarHBondContact O-CG 3.42Å; V672-L675 PolarHBondContact O-N 3.42Å; V672-L675 VanDerWaalsContact O-N 3.16Å; S673-L675 PolarHBondContact O-N 3.08Å; L675-V680 HydrophobicContact CD1-CG1 4.4Å; L675-V681 HydrophobicContact CD1-CG2 3.43Å; L675-V681 VanDerWaalsContact CD1-CG2 3.43Å
676	D	76.9	Confident	81.3	Confident	118 Å²	118	53.4 Å²	53.4	63%	0.631	33%	0.33	S	S	*	.	S	Bend	trans	-66.4	-45.4	169.2	-176.7	26.7	0	0	0	111	K647 R649	K647-D676 PolarHBondContact O-N 3.25Å; R649-D676 HydrophobicContact CG-CB 4.44Å
677	D	79.7	Confident	81.7	Confident	55 Å²	55	51.4 Å²	51.4	29%	0.294	32%	0.32	S	S	.	.			trans	-129.5	105.6	172.1	-172.8	-14.6	0	0	0	110.9	R644 S679 V680	R644-D677 IonicContact CZ-OD2 2.92Å; R644-D677 IonicContact NH1-OD2 3.77Å; R644-D677 PolarHBondContact NH1-OD2 2.89Å; R644-D677 IonicContact NH2-OD2 2.86Å; R644-D677 PolarHBondContact NH2-OD2 3.11Å; D677-S679 VanDerWaalsContact C-N 3.25Å; D677-S679 PolarHBondContact O-N 3.17Å; D677-S679 VanDerWaalsContact OD1-CB 3.27Å; D677-S679 WeakPolarHBondContact OD1-CB 3.36Å; D677-S679 PolarHBondContact OD1-N 2.93Å; D677-S679 PolarHBondContact OD1-OG 3.3Å; D677-S679 PolarHBondContact OD2-OG 3.17Å; D677-S679 VanDerWaalsContact OD2-OG 3.11Å; D677-V680 WeakPolarHBondContact O-CG1 3.36Å; D677-V680 PolarHBondContact O-N 3.45Å
678	P	82	Confident	82.8	Confident	70 Å²	70	48.1 Å²	48.1	46%	0.455	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24	177.2	-24.2	34.9	0	0	0	114.8	V680 V681	P678-V680 PolarHBondContact O-N 2.67Å; P678-V681 PolarHBondContact O-N 3.43Å
679	S	84.7	Confident	83.5	Confident	56 Å²	56	46 Å²	46	39%	0.392	28%	0.279	S	S	.	.	H	α-helix	trans	-65.5	-24	-177.1	69.2	0	0	0	0	113.1	R644 D677 V681 A682 E683	R644-S679 PolarHBondContact NH2-OG 3.09Å; D677-S679 VanDerWaalsContact C-N 3.25Å; D677-S679 PolarHBondContact O-N 3.17Å; D677-S679 VanDerWaalsContact OD1-CB 3.27Å; D677-S679 WeakPolarHBondContact OD1-CB 3.36Å; D677-S679 PolarHBondContact OD1-N 2.93Å; D677-S679 PolarHBondContact OD1-OG 3.3Å; D677-S679 PolarHBondContact OD2-OG 3.17Å; D677-S679 VanDerWaalsContact OD2-OG 3.11Å; S679-V681 PolarHBondContact O-N 3.13Å; S679-V681 VanDerWaalsContact O-N 3.13Å; S679-A682 PolarHBondContact O-N 3.17Å; S679-A682 VanDerWaalsContact O-N 3.13Å; S679-E683 PolarHBondContact O-N 3.36Å
680	V	89.6	Confident	84.1	Confident	3 Å²	3	50 Å²	50	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-55.7	-31.3	176.6	73.5	0	0	0	0	112.9	R644 P646 L675 D677 P678 A682 E683 I684	R644-V680 HydrophobicContact CB-CG2 4.36Å; R644-V680 HydrophobicContact CG-CG2 3.66Å; R644-V680 WeakPolarHBondContact O-CG2 3.36Å; P646-V680 HydrophobicContact CB-CG1 3.89Å; L675-V680 HydrophobicContact CD1-CG1 4.4Å; D677-V680 WeakPolarHBondContact O-CG1 3.36Å; D677-V680 PolarHBondContact O-N 3.45Å; P678-V680 PolarHBondContact O-N 2.67Å; V680-A682 PolarHBondContact O-N 2.99Å; V680-E683 WeakPolarHBondContact O-CB 3.34Å; V680-E683 PolarHBondContact O-N 3.16Å; V680-I684 HydrophobicContact CG2-CD1 3.87Å; V680-I684 HydrophobicContact CG2-CG1 4.3Å; V680-I684 VanDerWaalsContact O-CG1 3.26Å; V680-I684 WeakPolarHBondContact O-CG1 3.29Å; V680-I684 PolarHBondContact O-N 3.31Å
681	V	90.5	Very high	84.8	Confident	11 Å²	11	50 Å²	50	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-44.8	-178.9	179.6	0	0	0	0	110.4	I657 L669 L675 P678 S679 E683 I684 I685	I657-V681 HydrophobicContact CD1-CG2 4.3Å; I657-V681 HydrophobicContact CG2-CG1 4.01Å; I657-V681 HydrophobicContact CG2-CG2 4.19Å; L669-V681 HydrophobicContact CD1-CG1 3.52Å; L675-V681 HydrophobicContact CD1-CG2 3.43Å; L675-V681 VanDerWaalsContact CD1-CG2 3.43Å; P678-V681 PolarHBondContact O-N 3.43Å; S679-V681 PolarHBondContact O-N 3.13Å; S679-V681 VanDerWaalsContact O-N 3.13Å; V681-E683 VanDerWaalsContact C-N 3.34Å; V681-I684 PolarHBondContact O-N 3.12Å; V681-I685 HydrophobicContact CG1-CD1 3.97Å; V681-I685 VanDerWaalsContact O-CG1 3.25Å; V681-I685 WeakPolarHBondContact O-CG1 3.38Å; V681-I685 PolarHBondContact O-N 2.85Å
682	A	88.6	Confident	85.6	Confident	66 Å²	66	50.1 Å²	50.1	55%	0.545	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-38.1	177.6	0	0	0	0	0	111.7	S679 V680 I685 K686	S679-A682 PolarHBondContact O-N 3.17Å; S679-A682 VanDerWaalsContact O-N 3.13Å; V680-A682 PolarHBondContact O-N 2.99Å; A682-I685 PolarHBondContact O-N 3.04Å; A682-K686 WeakPolarHBondContact O-CB 3.41Å; A682-K686 PolarHBondContact O-N 3.39Å
683	E	91.8	Very high	85.8	Confident	71 Å²	71	50.8 Å²	50.8	33%	0.332	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-46.1	175	-66.8	172.5	-168.6	0	0	111.7	R644 S679 V680 V681 K686 A687	R644-E683 IonicContact CZ-OE1 2.72Å; R644-E683 IonicContact CZ-OE2 3.86Å; R644-E683 IonicContact NE-OE1 3.72Å; R644-E683 IonicContact NE-OE2 2.72Å; R644-E683 PolarHBondContact NE-OE2 3.36Å; R644-E683 IonicContact NH2-OE1 3.82Å; R644-E683 PolarHBondContact NH2-OE1 2.68Å; R644-E683 IonicContact NH2-OE2 2.77Å; S679-E683 PolarHBondContact O-N 3.36Å; V680-E683 WeakPolarHBondContact O-CB 3.34Å; V680-E683 PolarHBondContact O-N 3.16Å; V681-E683 VanDerWaalsContact C-N 3.34Å; E683-K686 PolarHBondContact O-N 3.29Å; E683-A687 WeakPolarHBondContact O-CB 3.44Å; E683-A687 PolarHBondContact O-N 2.89Å
684	I	94.1	Very high	86.2	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-41.4	179.5	-65.9	167.2	0	0	0	110.9	F604 V642 P646 L658 V661 V680 V681 K686 A687 H688	F604-I684 HydrophobicContact CD1-CG2 4.26Å; F604-I684 HydrophobicContact CE1-CG2 3.86Å; V642-I684 HydrophobicContact CB-CG1 4.41Å; V642-I684 HydrophobicContact CG1-CG1 4.17Å; V642-I684 HydrophobicContact CG1-CG2 4.38Å; P646-I684 HydrophobicContact CB-CD1 4.42Å; P646-I684 HydrophobicContact CG-CD1 4.06Å; L658-I684 HydrophobicContact CD2-CD1 4Å; L658-I684 HydrophobicContact CD2-CG2 4.33Å; V661-I684 HydrophobicContact CG1-CG2 4.16Å; V680-I684 HydrophobicContact CG2-CD1 3.87Å; V680-I684 HydrophobicContact CG2-CG1 4.3Å; V680-I684 VanDerWaalsContact O-CG1 3.26Å; V680-I684 WeakPolarHBondContact O-CG1 3.29Å; V680-I684 PolarHBondContact O-N 3.31Å; V681-I684 PolarHBondContact O-N 3.12Å; I684-K686 VanDerWaalsContact C-N 3.3Å; I684-K686 PolarHBondContact O-N 3.4Å; I684-A687 PolarHBondContact O-N 3.4Å; I684-H688 WeakPolarHBondContact O-CB 3.4Å; I684-H688 PolarHBondContact O-N 2.99Å
685	I	93.2	Very high	86.2	Confident	51 Å²	51	55.8 Å²	55.8	26%	0.262	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-44.2	175.3	-70	165.8	0	0	0	110.6	V661 T666 L669 V681 A682 H688 A689	V661-I685 HydrophobicContact CG1-CG1 4.24Å; V661-I685 HydrophobicContact CG2-CD1 4.5Å; V661-I685 HydrophobicContact CG2-CG1 3.72Å; T666-I685 HydrophobicContact CG2-CD1 4.04Å; T666-I685 HydrophobicContact CG2-CG1 3.9Å; T666-I685 HydrophobicContact CG2-CG2 4.3Å; L669-I685 HydrophobicContact CD1-CD1 3.89Å; V681-I685 HydrophobicContact CG1-CD1 3.97Å; V681-I685 VanDerWaalsContact O-CG1 3.25Å; V681-I685 WeakPolarHBondContact O-CG1 3.38Å; V681-I685 PolarHBondContact O-N 2.85Å; A682-I685 PolarHBondContact O-N 3.04Å; I685-H688 PolarHBondContact O-N 3.23Å; I685-A689 PolarHBondContact O-N 2.86Å
686	K	92.1	Very high	85.5	Confident	142 Å²	142	59.6 Å²	59.6	62%	0.617	34%	0.34	S	S	*	.	H	α-helix	trans	-64.1	-44.8	177.2	-174.3	179	179.5	179.5	0	111.7	A682 E683 I684 H688 A689 Q690	A682-K686 WeakPolarHBondContact O-CB 3.41Å; A682-K686 PolarHBondContact O-N 3.39Å; E683-K686 PolarHBondContact O-N 3.29Å; I684-K686 VanDerWaalsContact C-N 3.3Å; I684-K686 PolarHBondContact O-N 3.4Å; K686-H688 VanDerWaalsContact C-N 3.33Å; K686-H688 PolarHBondContact O-N 3.11Å; K686-A689 PolarHBondContact O-N 3.4Å; K686-Q690 WeakPolarHBondContact O-CG 3.39Å; K686-Q690 PolarHBondContact O-N 3.14Å; K686-Q690 VanDerWaalsContact O-N 3.1Å
687	A	91.5	Very high	84.2	Confident	20 Å²	20	61.1 Å²	61.1	17%	0.165	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-42.7	176.3	0	0	0	0	0	111.4	L640 V642 E683 I684 Q690 Y691	L640-A687 HydrophobicContact CD1-CB 4.37Å; V642-A687 HydrophobicContact CG1-CB 4.43Å; E683-A687 WeakPolarHBondContact O-CB 3.44Å; E683-A687 PolarHBondContact O-N 2.89Å; I684-A687 PolarHBondContact O-N 3.4Å; A687-Q690 PolarHBondContact O-N 3.01Å; A687-Y691 WeakPolarHBondContact O-CB 3.25Å; A687-Y691 PolarHBondContact O-N 3.07Å
688	H	93.9	Very high	82.7	Confident	15 Å²	15	65.2 Å²	65.2	7%	0.069	37%	0.365	C	S	.	.	H	α-helix	trans	-62.5	-42.7	176.5	-176.9	-109.3	0	0	0	112.1	F602 L640 V661 I684 I685 K686 Q690 Y691 K692	F602-H688 AromaticContact CZ-CD2 3.95Å; L640-H688 HydrophobicContact CD2-CB 3.99Å; V661-H688 HydrophobicContact CG1-CB 3.68Å; V661-H688 PolarHBondContact O-CE1 2.75Å; V661-H688 VanDerWaalsContact O-CE1 3.26Å; V661-H688 PolarHBondContact O-ND1 3.31Å; I684-H688 WeakPolarHBondContact O-CB 3.4Å; I684-H688 PolarHBondContact O-N 2.99Å; I685-H688 PolarHBondContact O-N 3.23Å; K686-H688 VanDerWaalsContact C-N 3.33Å; K686-H688 PolarHBondContact O-N 3.11Å; H688-Q690 VanDerWaalsContact C-N 3.34Å; H688-Q690 PolarHBondContact O-N 3.46Å; H688-Y691 WeakPolarHBondContact O-CB 3.49Å; H688-Y691 PolarHBondContact O-N 2.95Å; H688-K692 WeakPolarHBondContact O-CG 3.31Å; H688-K692 PolarHBondContact O-N 2.81Å
689	A	90.4	Very high	80.6	Confident	57 Å²	57	73.3 Å²	73.3	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-41.7	176.1	0	0	0	0	0	112.3	I685 K686 K692 S693	I685-A689 PolarHBondContact O-N 2.86Å; K686-A689 PolarHBondContact O-N 3.4Å; A689-K692 PolarHBondContact O-N 3.23Å; A689-S693 PolarHBondContact O-N 2.96Å; A689-S693 VanDerWaalsContact O-N 3.12Å
690	Q	88.6	Confident	80.4	Confident	108 Å²	108	74.2 Å²	74.2	51%	0.505	39%	0.393	S	S	.	.	H	α-helix	trans	-65.5	-45.4	175.3	-70	175.9	-19.4	0	0	111.6	K686 A687 H688 K692 S693 L694	K686-Q690 WeakPolarHBondContact O-CG 3.39Å; K686-Q690 PolarHBondContact O-N 3.14Å; K686-Q690 VanDerWaalsContact O-N 3.1Å; A687-Q690 PolarHBondContact O-N 3.01Å; H688-Q690 VanDerWaalsContact C-N 3.34Å; H688-Q690 PolarHBondContact O-N 3.46Å; Q690-K692 VanDerWaalsContact C-N 3.3Å; Q690-K692 PolarHBondContact O-N 3.3Å; Q690-S693 PolarHBondContact O-N 3.1Å; Q690-S693 VanDerWaalsContact O-N 3.17Å; Q690-S693 PolarHBondContact O-OG 3.26Å; Q690-L694 WeakPolarHBondContact O-CG 3.31Å; Q690-L694 PolarHBondContact O-N 3.04Å; Q690-L694 VanDerWaalsContact O-N 3.11Å
691	Y	88.6	Confident	79.9	Confident	43 Å²	43	77.9 Å²	77.9	17%	0.169	41%	0.413	C	S	.	.	H	α-helix	trans	-54.8	-46.3	174.7	171.5	-100.2	0	0	0	111.6	F602 H638 F639 L640 A687 H688 S693 L694 T695	F602-Y691 HydrophobicContact CE2-CE1 4.37Å; F602-Y691 HydrophobicContact CZ-CE1 4.35Å; H638-Y691 AromaticContact ND1-CE1 3.8Å; H638-Y691 AromaticContact ND1-CZ 3.76Å; H638-Y691 PolarHBondContact ND1-OH 3.15Å; F639-Y691 WeakPolarHBondContact O-CE2 3.48Å; L640-Y691 HydrophobicContact CD1-CD1 4.46Å; L640-Y691 HydrophobicContact CD1-CD2 4.16Å; L640-Y691 HydrophobicContact CD1-CG 3.77Å; A687-Y691 WeakPolarHBondContact O-CB 3.25Å; A687-Y691 PolarHBondContact O-N 3.07Å; H688-Y691 WeakPolarHBondContact O-CB 3.49Å; H688-Y691 PolarHBondContact O-N 2.95Å; Y691-S693 PolarHBondContact O-N 2.91Å; Y691-L694 PolarHBondContact O-N 3.39Å; Y691-T695 HydrophobicContact CD1-CG2 4.5Å; Y691-T695 HydrophobicContact CD2-CG2 4.33Å; Y691-T695 HydrophobicContact CE1-CG2 4Å; Y691-T695 HydrophobicContact CE2-CG2 3.81Å; Y691-T695 PolarHBondContact O-N 3.31Å; Y691-T695 PolarHBondContact O-OG1 3.12Å; Y691-T695 VanDerWaalsContact O-OG1 3.08Å
692	K	86.5	Confident	79.4	Confident	73 Å²	73	81.7 Å²	81.7	32%	0.317	43%	0.432	S	S	.	.	H	α-helix	trans	-57.9	-48.4	175.4	-72.1	-136.6	-51.8	174.6	0	112.6	E664 H688 A689 Q690 L694 T695 S696	E664-K692 VanDerWaalsContact OE1-CD 3.24Å; E664-K692 WeakPolarHBondContact OE1-CD 3.32Å; E664-K692 WeakPolarHBondContact OE1-CE 3.45Å; E664-K692 IonicContact OE1-NZ 3.79Å; E664-K692 PolarHBondContact OE1-NZ 2.68Å; E664-K692 IonicContact OE2-NZ 3.47Å; E664-K692 PolarHBondContact OE2-NZ 2.85Å; H688-K692 WeakPolarHBondContact O-CG 3.31Å; H688-K692 PolarHBondContact O-N 2.81Å; A689-K692 PolarHBondContact O-N 3.23Å; Q690-K692 VanDerWaalsContact C-N 3.3Å; Q690-K692 PolarHBondContact O-N 3.3Å; K692-L694 PolarHBondContact O-N 3.17Å; K692-T695 WeakPolarHBondContact CA-OG1 3.45Å; K692-T695 PolarHBondContact O-N 3.01Å; K692-T695 VanDerWaalsContact O-N 3.15Å; K692-T695 PolarHBondContact O-OG1 3.29Å; K692-S696 WeakPolarHBondContact O-CB 3.45Å; K692-S696 PolarHBondContact O-N 3.06Å; K692-S696 PolarHBondContact O-OG 3.32Å; K692-S696 VanDerWaalsContact O-OG 3.13Å
693	S	82.1	Confident	78.8	Confident	61 Å²	61	82.6 Å²	82.6	43%	0.427	43%	0.425	S	S	.	.	H	α-helix	trans	-57.8	-35.8	179.6	63.3	0	0	0	0	112.4	A689 Q690 Y691 Q697	A689-S693 PolarHBondContact O-N 2.96Å; A689-S693 VanDerWaalsContact O-N 3.12Å; Q690-S693 PolarHBondContact O-N 3.1Å; Q690-S693 VanDerWaalsContact O-N 3.17Å; Q690-S693 PolarHBondContact O-OG 3.26Å; Y691-S693 PolarHBondContact O-N 2.91Å; S693-Q697 VanDerWaalsContact O-CG 3.25Å; S693-Q697 WeakPolarHBondContact O-CG 3.46Å; S693-Q697 PolarHBondContact O-N 3.07Å
694	L	78	Confident	78	Confident	99 Å²	99	83.3 Å²	83.3	52%	0.518	43%	0.431	S	S	.	.	H	α-helix	trans	-75.7	-36.7	178.2	-69.4	166.6	0	0	0	112.3	Q690 Y691 K692 N698	Q690-L694 WeakPolarHBondContact O-CG 3.31Å; Q690-L694 PolarHBondContact O-N 3.04Å; Q690-L694 VanDerWaalsContact O-N 3.11Å; Y691-L694 PolarHBondContact O-N 3.39Å; K692-L694 PolarHBondContact O-N 3.17Å; L694-N698 PolarHBondContact O-ND2 3.02Å
695	T	69.9	Low	76.9	Confident	48 Å²	48	88.6 Å²	88.6	29%	0.294	46%	0.459	S	S	.	.	H	α-helix	trans	-74.9	-32.2	176.9	47.7	0	0	0	0	113	Y691 K692 Q697 N698 K699	Y691-T695 HydrophobicContact CD1-CG2 4.5Å; Y691-T695 HydrophobicContact CD2-CG2 4.33Å; Y691-T695 HydrophobicContact CE1-CG2 4Å; Y691-T695 HydrophobicContact CE2-CG2 3.81Å; Y691-T695 PolarHBondContact O-N 3.31Å; Y691-T695 PolarHBondContact O-OG1 3.12Å; Y691-T695 VanDerWaalsContact O-OG1 3.08Å; K692-T695 WeakPolarHBondContact CA-OG1 3.45Å; K692-T695 PolarHBondContact O-N 3.01Å; K692-T695 VanDerWaalsContact O-N 3.15Å; K692-T695 PolarHBondContact O-OG1 3.29Å; T695-Q697 VanDerWaalsContact C-N 3.33Å; T695-N698 PolarHBondContact O-N 3.26Å; T695-K699 PolarHBondContact O-N 2.99Å
696	S	63.1	Low	75.8	Confident	81 Å²	81	91.3 Å²	91.3	57%	0.566	47%	0.473	S	S	*	.	H	α-helix	trans	-76.7	-17.8	176.6	-61.1	0	0	0	0	113.4	K692	K692-S696 WeakPolarHBondContact O-CB 3.45Å; K692-S696 PolarHBondContact O-N 3.06Å; K692-S696 PolarHBondContact O-OG 3.32Å; K692-S696 VanDerWaalsContact O-OG 3.13Å
697	Q	50.5	Low	74.5	Confident	150 Å²	150	87.4 Å²	87.4	70%	0.701	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.1	171.8	-76.5	175.3	-3.5	0	0	113.1	S693 T695	S693-Q697 VanDerWaalsContact O-CG 3.25Å; S693-Q697 WeakPolarHBondContact O-CG 3.46Å; S693-Q697 PolarHBondContact O-N 3.07Å; T695-Q697 VanDerWaalsContact C-N 3.33Å
698	N	46.6	Very low	73.1	Confident	141 Å²	141	93 Å²	93	75%	0.754	49%	0.486	S	S	*	.			trans	-105.9	-1.2	-179.5	-74.5	-53.7	0	0	0	113.3	L694 T695	L694-N698 PolarHBondContact O-ND2 3.02Å; T695-N698 PolarHBondContact O-N 3.26Å
699	K	39.1	Very low	71.2	Confident	240 Å²	240	100.1 Å²	100.1	100%	1.043	52%	0.524	S	S	*	.			trans	-102.2	0	164.4	-77.2	-173.9	176.3	-176.4	0	107.8	T695	T695-K699 PolarHBondContact O-N 2.99Å

Retrieved 699 of 699 residues in 4853.5 ms (Link to these results)

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