A0A087XE57_POEFO Loading...

Actin related protein 8

AlphaFold DB , UniProt , Accession A0A087XE57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 644 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	49.2	Very low	49.2	Very low	217 Å²	217	126.1 Å²	126.1	100%	1.069	67%	0.665	S	S	*	*				0	124.4	0	-90.2	172.7	153.4	0	0	107.9	E5	M1-E5 VanDerWaalsContact CB-OE2 3.22Å; M1-E5 WeakPolarHBondContact CB-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.31Å
2	T	47.7	Very low	49.5	Very low	107 Å²	107	128.3 Å²	128.3	66%	0.656	67%	0.665	S	S	*	*			trans	-77.7	160	-159	37.5	0	0	0	0	112.1	A4 E5	T2-A4 PolarHBondContact O-N 3.35Å; T2-E5 PolarHBondContact O-N 3.42Å
3	Q	47.5	Very low	49.7	Very low	184 Å²	184	129.5 Å²	129.5	86%	0.86	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-8	-179.4	-121	169.9	-11.4	0	0	114.9
4	A	51.1	Low	50	Low	69 Å²	69	130.6 Å²	130.6	57%	0.57	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-15.5	175.6	0	0	0	0	0	114.3	T2	T2-A4 PolarHBondContact O-N 3.35Å
5	E	49.1	Very low	50.2	Low	105 Å²	105	130.9 Å²	130.9	49%	0.491	66%	0.661	S	S	.	*	H	α-helix	trans	-92.5	-13.8	-178.9	-71.5	176.2	144.9	0	0	113.4	M1 T2	M1-E5 VanDerWaalsContact CB-OE2 3.22Å; M1-E5 WeakPolarHBondContact CB-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.31Å; T2-E5 PolarHBondContact O-N 3.42Å
6	K	48.9	Very low	50.4	Low	182 Å²	182	132.6 Å²	132.6	79%	0.791	66%	0.663	S	S	*	*	H	α-helix	trans	-84.1	-19.8	175.2	-91.3	-174.4	174.2	-177.5	0	114.3
7	E	49	Very low	50.7	Low	152 Å²	152	132.8 Å²	132.8	71%	0.71	66%	0.661	S	S	*	*	H	α-helix	trans	-86.3	-26.2	-178.9	-70.6	-173.8	162.3	0	0	112.9	S10	E7-S10 PolarHBondContact O-OG 3.35Å
8	Q	49.8	Very low	50.8	Low	156 Å²	156	135.5 Å²	135.5	73%	0.729	66%	0.662	S	S	*	*	H	α-helix	trans	-75.7	-27.1	177.6	-83	-171.5	-5.2	0	0	114.4
9	D	50	Low	51	Low	116 Å²	116	133.7 Å²	133.7	62%	0.62	66%	0.656	S	S	*	*	H	α-helix	trans	-80.4	-34.7	-179.8	-137.9	10.9	0	0	0	111.7	G11 K12 E13	D9-G11 VanDerWaalsContact C-N 3.3Å; D9-G11 PolarHBondContact O-N 3.41Å; D9-K12 PolarHBondContact O-N 2.92Å; D9-E13 PolarHBondContact O-N 3.48Å
10	S	49.6	Very low	51	Low	60 Å²	60	134.4 Å²	134.4	42%	0.42	66%	0.655	S	S	.	*	H	α-helix	trans	-70.5	-22.4	177.1	77.1	0	0	0	0	114.3	E7	E7-S10 PolarHBondContact O-OG 3.35Å
11	G	49.7	Very low	51.1	Low	39 Å²	39	134.4 Å²	134.4	40%	0.402	65%	0.654	S	S	.	*	H	α-helix	trans	-76.6	-38.3	176.5	0	0	0	0	0	112.9	D9 E15	D9-G11 VanDerWaalsContact C-N 3.3Å; D9-G11 PolarHBondContact O-N 3.41Å; G11-E15 PolarHBondContact O-N 3.09Å
12	K	52.6	Low	51.1	Low	153 Å²	153	130.7 Å²	130.7	67%	0.665	63%	0.632	S	S	*	*	H	α-helix	trans	-74	-30.2	-178.8	-79.4	-178.6	175.9	174.8	0	113.5	D9 K16	D9-K12 PolarHBondContact O-N 2.92Å; K12-K16 PolarHBondContact O-N 3.34Å
13	E	52	Low	51.1	Low	143 Å²	143	132.4 Å²	132.4	67%	0.668	63%	0.633	S	S	*	*	H	α-helix	trans	-73.1	-37.7	173.8	-74.9	-169.8	145.9	0	0	112.5	D9 E15 K16 E17	D9-E13 PolarHBondContact O-N 3.48Å; E13-E15 PolarHBondContact O-N 3.21Å; E13-K16 PolarHBondContact O-N 2.74Å; E13-E17 PolarHBondContact O-N 3.43Å; E13-E17 VanDerWaalsContact O-N 3.13Å
14	K	53.2	Low	51	Low	145 Å²	145	131.5 Å²	131.5	63%	0.63	63%	0.626	S	S	*	*	H	α-helix	trans	-70.2	-28.6	177.3	-77.5	-178.4	176.4	177	0	113.9	R18	K14-R18 WeakPolarHBondContact O-CG 3.43Å; K14-R18 PolarHBondContact O-N 3.14Å
15	E	53.3	Low	50.6	Low	135 Å²	135	135.7 Å²	135.7	63%	0.631	63%	0.634	S	S	*	*	H	α-helix	trans	-74.5	-37.4	175.5	-142.4	169.3	-160.1	0	0	111.2	G11 E13 R18 D19	G11-E15 PolarHBondContact O-N 3.09Å; E13-E15 PolarHBondContact O-N 3.21Å; E15-R18 PolarHBondContact O-N 2.72Å; E15-D19 PolarHBondContact O-N 3Å
16	K	54.2	Low	50.3	Low	158 Å²	158	139.2 Å²	139.2	69%	0.687	65%	0.65	S	S	*	*	H	α-helix	trans	-68.7	-30.8	174.6	-111.1	178.8	177.8	176.8	0	114.4	K12 E13 K20	K12-K16 PolarHBondContact O-N 3.34Å; E13-K16 PolarHBondContact O-N 2.74Å; K16-K20 PolarHBondContact O-N 2.99Å
17	E	54.3	Low	50.2	Low	137 Å²	137	138.7 Å²	138.7	64%	0.64	65%	0.65	S	S	*	*	H	α-helix	trans	-74.8	-37.2	173.3	-82.9	-168.9	144.5	0	0	112.4	E13 D19 K20 E21	E13-E17 PolarHBondContact O-N 3.43Å; E13-E17 VanDerWaalsContact O-N 3.13Å; E17-D19 PolarHBondContact O-N 3.22Å; E17-K20 PolarHBondContact O-N 2.97Å; E17-E21 PolarHBondContact O-N 3.12Å
18	R	54	Low	50	Low	181 Å²	181	142.5 Å²	142.5	68%	0.683	66%	0.658	S	S	*	*	H	α-helix	trans	-66.9	-34.4	177.2	-81.8	-178.5	168.2	-160.2	-3.4	113.4	K14 E15 K22	K14-R18 WeakPolarHBondContact O-CG 3.43Å; K14-R18 PolarHBondContact O-N 3.14Å; E15-R18 PolarHBondContact O-N 2.72Å; R18-K22 WeakPolarHBondContact O-CG 3.41Å; R18-K22 PolarHBondContact O-N 2.98Å; R18-K22 VanDerWaalsContact O-N 3.14Å
19	D	53.2	Low	49.7	Very low	101 Å²	101	138.5 Å²	138.5	54%	0.54	66%	0.659	S	S	.	*	H	α-helix	trans	-73.2	-31.6	175.1	-77.4	-16.6	0	0	0	112.3	E15 E17 K22 E23	E15-D19 PolarHBondContact O-N 3Å; E17-D19 PolarHBondContact O-N 3.22Å; D19-K22 PolarHBondContact O-N 2.99Å; D19-E23 PolarHBondContact O-N 2.87Å; D19-E23 VanDerWaalsContact O-N 3.14Å
20	K	52.4	Low	49.2	Very low	148 Å²	148	139.4 Å²	139.4	64%	0.643	67%	0.668	S	S	*	*	H	α-helix	trans	-71.9	-29.4	172.7	-80.8	-177.6	174.7	-179.7	0	113.7	K16 E17 K24	K16-K20 PolarHBondContact O-N 2.99Å; E17-K20 PolarHBondContact O-N 2.97Å; K20-K24 PolarHBondContact O-N 3.3Å
21	E	51.6	Low	48.7	Very low	135 Å²	135	146.7 Å²	146.7	63%	0.631	69%	0.692	S	S	*	*	H	α-helix	trans	-75.1	-36.2	172.3	-82.7	-172	146.3	0	0	112.2	E17 K24 E25	E17-E21 PolarHBondContact O-N 3.12Å; E21-K24 PolarHBondContact O-N 3.11Å; E21-E25 PolarHBondContact O-N 3.1Å
22	K	49.2	Very low	48.2	Very low	138 Å²	138	155.4 Å²	155.4	60%	0.6	71%	0.713	S	S	*	*	H	α-helix	trans	-67.3	-34.9	175	-76.4	179.1	178.3	177.2	0	113.4	R18 D19 K24 Q26	R18-K22 WeakPolarHBondContact O-CG 3.41Å; R18-K22 PolarHBondContact O-N 2.98Å; R18-K22 VanDerWaalsContact O-N 3.14Å; D19-K22 PolarHBondContact O-N 2.99Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-Q26 PolarHBondContact O-N 3.44Å
23	E	48.2	Very low	47.4	Very low	144 Å²	144	154 Å²	154	67%	0.673	72%	0.72	S	S	*	*	H	α-helix	trans	-68.9	-29.9	170.8	-87.7	-171.4	145.4	0	0	112.9	D19	D19-E23 PolarHBondContact O-N 2.87Å; D19-E23 VanDerWaalsContact O-N 3.14Å
24	K	45.1	Very low	46.8	Very low	165 Å²	165	155.3 Å²	155.3	72%	0.717	73%	0.729	S	S	*	*	H	α-helix	trans	-77.6	-26.3	176	-85.8	-178.1	174.6	178.4	0	113.7	K20 E21 K22	K20-K24 PolarHBondContact O-N 3.3Å; E21-K24 PolarHBondContact O-N 3.11Å; K22-K24 VanDerWaalsContact C-N 3.33Å
25	E	44	Very low	46.2	Very low	157 Å²	157	152.1 Å²	152.1	73%	0.734	73%	0.73	S	S	*	*	H	α-helix	trans	-81.6	-28.5	175.3	-82.3	-169.1	143.3	0	0	113.8	E21 Q27 R28	E21-E25 PolarHBondContact O-N 3.1Å; E25-Q27 PolarHBondContact O-N 3.1Å; E25-R28 PolarHBondContact O-N 3.44Å
26	Q	41.9	Very low	45.5	Very low	179 Å²	179	151.4 Å²	151.4	84%	0.836	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-6.1	175.5	-87.5	176.1	-2.3	0	0	114.8	K22	K22-Q26 PolarHBondContact O-N 3.44Å
27	Q	46.8	Very low	44.6	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	0.6	175.5	-73.9	-175.3	0.9	0	0	114.7	E25	E25-Q27 PolarHBondContact O-N 3.1Å
28	R	45.6	Very low	43.8	Very low	232 Å²	232	146.4 Å²	146.4	88%	0.875	75%	0.749	S	S	*	*	S	Bend	trans	-109.2	81.6	176.6	-84.3	-176.5	165.9	-176.9	-2.7	111.7	E25	E25-R28 PolarHBondContact O-N 3.44Å
29	G	43.7	Very low	43.3	Very low	72 Å²	72	144.9 Å²	144.9	74%	0.742	75%	0.753	S	S	*	*			trans	155.1	57.9	163.6	0	0	0	0	0	117.9
30	V	39.2	Very low	42.3	Very low	134 Å²	134	145.4 Å²	145.4	81%	0.812	76%	0.762	S	S	*	*			trans	-134.9	102.8	157.7	-175	0	0	0	0	108.8	R32	V30-R32 PolarHBondContact O-N 3.41Å
31	K	37.7	Very low	41.5	Very low	214 Å²	214	146.3 Å²	146.3	93%	0.93	77%	0.768	S	S	*	*			trans	-68.8	108.4	171.6	-74.2	-177.5	177.5	179.2	0	108.6
32	R	40.1	Very low	40.6	Very low	221 Å²	221	145.4 Å²	145.4	83%	0.834	77%	0.774	S	S	*	*			trans	-75.2	145.2	165.2	-71.9	-177.6	178.3	-176.6	-0.5	109.5	V30	V30-R32 PolarHBondContact O-N 3.41Å
33	P	35	Very low	40	Very low	124 Å²	124	143 Å²	143	81%	0.805	78%	0.78	S	S	*	*			trans	-62.2	138.5	177.1	24.9	-30.9	0	0	0	110.3	A35	P33-A35 PolarHBondContact O-N 3.05Å
34	I	40.6	Very low	39.7	Very low	170 Å²	170	143.6 Å²	143.6	87%	0.872	78%	0.783	S	S	*	*			trans	-68.6	99.2	178.1	-61.2	168.2	0	0	0	107.3
35	A	40.9	Very low	39.6	Very low	79 Å²	79	143.6 Å²	143.6	65%	0.653	79%	0.786	S	S	*	*			trans	-72.4	139.8	161.9	0	0	0	0	0	108.3	P33 A37	P33-A35 PolarHBondContact O-N 3.05Å; A35-A37 PolarHBondContact O-N 3.14Å
36	P	37.6	Very low	39.9	Very low	120 Å²	120	144.5 Å²	144.5	78%	0.779	79%	0.79	S	S	*	*			trans	-56.5	142	175.7	23.1	-30.9	0	0	0	109.7	A38	P36-A38 PolarHBondContact O-N 3.12Å
37	A	35.2	Very low	40.7	Very low	99 Å²	99	138.1 Å²	138.1	82%	0.818	76%	0.761	S	S	*	*			trans	-52.3	109.7	180	0	0	0	0	0	109.4	A35 I39	A35-A37 PolarHBondContact O-N 3.14Å; A37-I39 PolarHBondContact O-N 3.03Å; A37-I39 VanDerWaalsContact O-N 3.09Å
38	A	38.2	Very low	41.9	Very low	91 Å²	91	136.1 Å²	136.1	75%	0.752	75%	0.752	S	S	*	*			trans	-58.5	117.1	168.6	0	0	0	0	0	106.5	P36	P36-A38 PolarHBondContact O-N 3.12Å
39	I	42.3	Very low	43.6	Very low	148 Å²	148	126.8 Å²	126.8	76%	0.759	72%	0.722	S	S	*	*			trans	-48	127.7	159	-60	167.5	0	0	0	104.7	A37 E41	A37-I39 PolarHBondContact O-N 3.03Å; A37-I39 VanDerWaalsContact O-N 3.09Å; I39-E41 PolarHBondContact O-N 2.91Å
40	P	32.7	Very low	45.7	Very low	113 Å²	113	126.6 Å²	126.6	73%	0.734	70%	0.704	S	S	*	*			trans	-54.7	109.2	174.1	-19.3	29.5	0	0	0	106.7
41	E	35.2	Very low	48.4	Very low	166 Å²	166	123.9 Å²	123.9	78%	0.776	68%	0.681	S	S	*	*			trans	-53.6	131.1	161.3	-75	-170	157.8	0	0	105.2	I39 A43	I39-E41 PolarHBondContact O-N 2.91Å; E41-A43 PolarHBondContact O-N 3.2Å
42	P	34.3	Very low	51.3	Low	117 Å²	117	113.7 Å²	113.7	76%	0.76	64%	0.637	S	S	*	*			trans	-52.5	125.5	178.6	22.4	-31.1	0	0	0	106.5	Q44	P42-Q44 PolarHBondContact O-N 2.81Å
43	A	36.7	Very low	54.1	Low	88 Å²	88	103.2 Å²	103.2	73%	0.727	60%	0.597	S	S	*	*			trans	-44	116.6	176.1	0	0	0	0	0	107	E41 E45	E41-A43 PolarHBondContact O-N 3.2Å; A43-E45 PolarHBondContact O-N 2.92Å
44	Q	40.1	Very low	57.1	Low	155 Å²	155	97.3 Å²	97.3	72%	0.724	56%	0.559	S	S	*	*			trans	-62.2	90.6	174.6	-76.7	172.9	-27.7	0	0	105.6	P42 Q46	P42-Q44 PolarHBondContact O-N 2.81Å; Q44-Q46 PolarHBondContact O-N 3.23Å
45	E	43.4	Very low	59.9	Low	166 Å²	166	89.2 Å²	89.2	78%	0.776	52%	0.517	S	S	*	.			trans	-55.4	112.5	174.8	-74.7	-178.3	168.3	0	0	105.9	A43 I47	A43-E45 PolarHBondContact O-N 2.92Å; E45-I47 PolarHBondContact O-N 2.8Å
46	Q	50.2	Low	62.6	Low	175 Å²	175	86.1 Å²	86.1	82%	0.818	49%	0.49	S	S	*	.			trans	-49.8	115.4	172.6	-76	177.2	-13	0	0	106.9	Q44 Q48	Q44-Q46 PolarHBondContact O-N 3.23Å; Q46-Q48 PolarHBondContact O-N 3.02Å
47	I	59.9	Low	65.5	Low	45 Å²	45	81.8 Å²	81.8	23%	0.231	46%	0.461	C	S	.	.			trans	-63.3	106	-174.3	-54	166.2	0	0	0	106.3	E45 S49 V52 Q619 W622	E45-I47 PolarHBondContact O-N 2.8Å; I47-S49 PolarHBondContact O-N 3.47Å; I47-V52 HydrophobicContact CG2-CG2 3.93Å; I47-Q619 HydrophobicContact CD1-CG 4.5Å; I47-W622 VanDerWaalsContact CD1-NE1 3.26Å
48	Q	72.3	Confident	68.5	Low	130 Å²	130	77.9 Å²	77.9	61%	0.607	43%	0.431	S	S	*	.			trans	-68.4	119.4	177	-67.9	-179.9	17.9	0	0	107.8	Q46 N50 F51	Q46-Q48 PolarHBondContact O-N 3.02Å; Q48-N50 PolarHBondContact O-N 3.01Å; Q48-F51 HydrophobicContact CB-CD2 4Å; Q48-F51 HydrophobicContact CB-CE2 4.48Å; Q48-F51 PolarHBondContact O-N 3.08Å
49	S	80.4	Confident	71.3	Confident	36 Å²	36	74 Å²	74	25%	0.252	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-54.6	-22	-179	48	0	0	0	0	113.6	I47 F51 V52 T68	I47-S49 PolarHBondContact O-N 3.47Å; S49-F51 PolarHBondContact O-N 2.85Å; S49-V52 PolarHBondContact O-N 2.9Å; S49-V52 VanDerWaalsContact O-N 3.13Å; S49-T68 WeakPolarHBondContact OG-CG2 3.42Å
50	N	88.7	Confident	73.9	Confident	67 Å²	67	67.6 Å²	67.6	36%	0.358	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.9	-22.9	174.1	-168.3	45.8	0	0	0	113.8	Q48 R66 T68	Q48-N50 PolarHBondContact O-N 3.01Å; N50-R66 WeakPolarHBondContact OD1-CD 3.42Å; N50-T68 HydrophobicContact CB-CG2 4.17Å
51	F	95.3	Very high	77	Confident	78 Å²	78	64.5 Å²	64.5	34%	0.342	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-99.2	16.3	176.7	-64.9	-81	0	0	0	113.1	Q48 S49 Y234 R235	Q48-F51 HydrophobicContact CB-CD2 4Å; Q48-F51 HydrophobicContact CB-CE2 4.48Å; Q48-F51 PolarHBondContact O-N 3.08Å; S49-F51 PolarHBondContact O-N 2.85Å; F51-Y234 HydrophobicContact CB-CD1 4.33Å; F51-Y234 HydrophobicContact CD1-CD1 4.37Å; F51-Y234 HydrophobicContact CD1-CE1 4.01Å; F51-Y234 HydrophobicContact CD1-CE2 4.33Å; F51-Y234 AromaticContact CD1-CZ 3.99Å; F51-Y234 CarbonylContact O-C 3.22Å; F51-Y234 VanDerWaalsContact O-CA 3.3Å; F51-Y234 WeakPolarHBondContact O-CA 3.35Å; F51-R235 PolarHBondContact O-N 2.8Å
52	V	97.9	Very high	80	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.1	175.9	-179.1	0	0	0	0	109.5	I47 S49 R66 A67 R235 I237 A613 W622	I47-V52 HydrophobicContact CG2-CG2 3.93Å; S49-V52 PolarHBondContact O-N 2.9Å; S49-V52 VanDerWaalsContact O-N 3.13Å; V52-R66 CarbonylContact O-C 3.55Å; V52-R66 VanDerWaalsContact O-CA 3.32Å; V52-R66 WeakPolarHBondContact O-CA 3.36Å; V52-A67 HydrophobicContact CB-CB 4.09Å; V52-A67 HydrophobicContact CG1-CB 4.29Å; V52-A67 PolarHBondContact O-N 3.41Å; V52-R235 CarbonylContact C-O 3.55Å; V52-R235 WeakPolarHBondContact CA-O 3.39Å; V52-I237 HydrophobicContact CG1-CD1 3.86Å; V52-I237 HydrophobicContact CG1-CG1 3.8Å; V52-A613 HydrophobicContact CB-CB 4.29Å; V52-A613 HydrophobicContact CG1-CB 3.9Å; V52-A613 HydrophobicContact CG2-CB 4.45Å; V52-W622 HydrophobicContact CG1-CH2 3.89Å; V52-W622 HydrophobicContact CG2-CH2 4.15Å; V52-W622 HydrophobicContact CG2-CZ2 4.27Å
53	I	98.5	Very high	83	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122	174.5	-56.4	-55.2	0	0	0	109.6	I55 I64 G65 R66 L224 I226 Y234 R235 C236 I237 F262	I53-I55 HydrophobicContact CG2-CG1 4.04Å; I53-I64 HydrophobicContact CG2-CD1 4.09Å; I53-I64 HydrophobicContact CG2-CG1 3.78Å; I53-G65 CarbonylContact C-O 3.6Å; I53-G65 WeakPolarHBondContact CA-O 3.3Å; I53-R66 HydrophobicContact CD1-CB 4.49Å; I53-R66 HydrophobicContact CD1-CG 3.83Å; I53-L224 HydrophobicContact CD1-CD1 4.09Å; I53-L224 HydrophobicContact CG2-CD1 4.32Å; I53-I226 HydrophobicContact CD1-CD1 3.72Å; I53-Y234 HydrophobicContact CD1-CD1 3.88Å; I53-Y234 HydrophobicContact CD1-CE1 4.14Å; I53-Y234 HydrophobicContact CG1-CD1 3.82Å; I53-Y234 HydrophobicContact CG1-CG 4.39Å; I53-R235 PolarHBondContact N-O 3.22Å; I53-C236 CarbonylContact O-C 3.34Å; I53-C236 WeakPolarHBondContact O-CA 3.33Å; I53-I237 PolarHBondContact O-N 2.84Å; I53-F262 HydrophobicContact CB-CE1 4.08Å; I53-F262 HydrophobicContact CB-CZ 4.37Å; I53-F262 HydrophobicContact CG1-CE1 4Å; I53-F262 HydrophobicContact CG1-CZ 4.44Å
54	V	98.8	Very high	86	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122	176	-175.6	0	0	0	0	108.7	I64 G65 A67 I237 L239 W606 A610	V54-I64 WeakPolarHBondContact O-CA 3.32Å; V54-G65 PolarHBondContact N-O 2.81Å; V54-G65 PolarHBondContact O-N 2.8Å; V54-A67 HydrophobicContact CG2-CB 4.05Å; V54-I237 WeakPolarHBondContact CA-O 3.37Å; V54-I237 HydrophobicContact CG2-CB 4.35Å; V54-L239 HydrophobicContact CG1-CD1 4.09Å; V54-W606 HydrophobicContact CB-CZ2 4.27Å; V54-W606 HydrophobicContact CG1-CG 4.26Å; V54-W606 PolarHBondContact O-NE1 3.46Å; V54-A610 HydrophobicContact CG2-CB 4.23Å
55	I	98.8	Very high	88.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.9	-178.2	-48.8	179.9	0	0	0	108.4	I53 P57 L62 I64 W216 C236 I237 L238 L239 L256	I53-I55 HydrophobicContact CG2-CG1 4.04Å; I55-P57 WeakPolarHBondContact O-CD 3.49Å; I55-L62 HydrophobicContact CG2-CD1 4.05Å; I55-I64 HydrophobicContact CD1-CD1 4.28Å; I55-I64 HydrophobicContact CG1-CD1 3.9Å; I55-I64 HydrophobicContact CG1-CG1 4.07Å; I55-I64 HydrophobicContact CG2-CD1 4.44Å; I55-W216 HydrophobicContact CD1-CE3 4.22Å; I55-W216 HydrophobicContact CD1-CZ3 4.49Å; I55-W216 HydrophobicContact CG2-CD2 4.23Å; I55-W216 HydrophobicContact CG2-CE3 4.23Å; I55-W216 HydrophobicContact CG2-CH2 4.24Å; I55-W216 HydrophobicContact CG2-CZ2 4.25Å; I55-W216 HydrophobicContact CG2-CZ3 4.24Å; I55-C236 HydrophobicContact CD1-CB 4.33Å; I55-I237 PolarHBondContact N-O 2.85Å; I55-L238 HydrophobicContact CB-CD1 4.39Å; I55-L238 HydrophobicContact CG2-CD1 4.41Å; I55-L239 PolarHBondContact O-N 3.49Å; I55-L256 HydrophobicContact CD1-CD1 4.48Å; I55-L256 HydrophobicContact CD1-CD2 3.69Å
56	H	98.8	Very high	91.4	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.069	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	92.1	175.4	-179.1	-161	0	0	0	109.8	R63 L239 W606	H56-R63 HydrophobicContact CB-CB 4.17Å; H56-R63 PolarHBondContact N-O 2.9Å; H56-R63 PolarHBondContact O-N 2.98Å; H56-L239 HydrophobicContact CB-CB 4.18Å; H56-L239 HydrophobicContact CB-CD2 3.99Å; H56-W606 HydrophobicContact CB-CB 4.2Å; H56-W606 HydrophobicContact CB-CG 4.48Å
57	P	98.3	Very high	93.6	Very high	28 Å²	28	27.1 Å²	27.1	18%	0.182	14%	0.143	C	C	.	.			trans	-74.8	140.3	178.7	30.7	-32.8	0	0	0	111.1	I55 L62 W216 L238 L239	I55-P57 WeakPolarHBondContact O-CD 3.49Å; P57-L62 HydrophobicContact CB-CD1 4.4Å; P57-W216 HydrophobicContact CB-CZ2 4.02Å; P57-W216 HydrophobicContact CG-CZ2 4.4Å; P57-L238 HydrophobicContact CG-CD1 4.43Å; P57-L239 WeakPolarHBondContact CD-O 3.35Å
58	G	97.4	Very high	95.3	Very high	17 Å²	17	28.1 Å²	28.1	18%	0.175	15%	0.151	C	C	.	.			trans	-133.2	167.4	171.1	0	0	0	0	0	111.1	R60 T61 H77	G58-R60 VanDerWaalsContact C-N 3.28Å; G58-R60 PolarHBondContact O-N 3.39Å; G58-T61 VanDerWaalsContact CA-O 3.29Å; G58-T61 WeakPolarHBondContact CA-O 3.39Å; G58-T61 PolarHBondContact N-O 3.23Å; G58-H77 PolarHBondContact O-ND1 2.83Å
59	S	97.4	Very high	96.4	Very high	11 Å²	11	24 Å²	24	8%	0.077	13%	0.134	C	C	.	.	S	Bend	trans	-63.4	-31.4	-177.6	-66.8	0	0	0	0	114.4	V190 R192 G193 Q291	S59-V190 VanDerWaalsContact CA-O 3.26Å; S59-V190 WeakPolarHBondContact CA-O 3.33Å; S59-V190 VanDerWaalsContact O-O 3.12Å; S59-R192 PolarHBondContact OG-N 2.85Å; S59-R192 VanDerWaalsContact OG-N 3.09Å; S59-G193 PolarHBondContact OG-N 2.94Å; S59-Q291 VanDerWaalsContact CB-OE1 3.23Å; S59-Q291 PolarHBondContact OG-OE1 3.21Å
60	R	95.9	Very high	97.1	Very high	13 Å²	13	28 Å²	28	5%	0.049	16%	0.156	C	C	.	.	S	Bend	trans	-118.3	-24	178.7	-61.7	-55.9	170.9	-168.9	-2	114.5	G58 P76 H77 A94 W95 W188 D290	G58-R60 VanDerWaalsContact C-N 3.28Å; G58-R60 PolarHBondContact O-N 3.39Å; R60-P76 CarbonylContact O-C 3.51Å; R60-P76 VanDerWaalsContact O-CA 3.31Å; R60-P76 WeakPolarHBondContact O-CA 3.48Å; R60-H77 PolarHBondContact O-N 3.35Å; R60-A94 PolarHBondContact NH2-O 2.87Å; R60-A94 VanDerWaalsContact NH2-O 3.12Å; R60-W95 VanDerWaalsContact NE-CD1 3.29Å; R60-W95 VanDerWaalsContact NH2-CA 3.29Å; R60-W95 PolarHBondContact NH2-O 3.04Å; R60-W188 HydrophobicContact CB-CZ3 4.39Å; R60-D290 HydrophobicContact CB-CB 4.32Å; R60-D290 HydrophobicContact CG-CB 3.73Å; R60-D290 VanDerWaalsContact CG-CG 3.47Å; R60-D290 WeakPolarHBondContact CG-OD2 3.44Å; R60-D290 IonicContact NE-OD2 3.4Å; R60-D290 PolarHBondContact NE-OD2 3.45Å
61	T	97.9	Very high	97.5	Very high	47 Å²	47	29.8 Å²	29.8	29%	0.288	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.2	-174.5	41.3	0	0	0	0	109.5	G58 R63 I74 I75	G58-T61 VanDerWaalsContact CA-O 3.29Å; G58-T61 WeakPolarHBondContact CA-O 3.39Å; G58-T61 PolarHBondContact N-O 3.23Å; T61-R63 PolarHBondContact O-NH1 2.94Å; T61-R63 PolarHBondContact OG1-NH1 2.92Å; T61-R63 PolarHBondContact OG1-NH2 2.7Å; T61-R63 VanDerWaalsContact OG1-NH2 3.09Å; T61-I74 HydrophobicContact CG2-CG2 4.16Å; T61-I75 WeakPolarHBondContact CA-O 3.44Å
62	L	98.6	Very high	97.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.1	166.3	171.8	66.2	0	0	0	107.9	I55 P57 I64 I74 I75 H77 L215 W216 V219	I55-L62 HydrophobicContact CG2-CD1 4.05Å; P57-L62 HydrophobicContact CB-CD1 4.4Å; L62-I64 HydrophobicContact CD2-CG2 4.22Å; L62-I64 HydrophobicContact CG-CB 4.36Å; L62-I64 HydrophobicContact CG-CG2 4.29Å; L62-I74 WeakPolarHBondContact O-CA 3.35Å; L62-I75 HydrophobicContact CB-CG1 4.15Å; L62-I75 HydrophobicContact CD2-CD1 4.45Å; L62-I75 HydrophobicContact CD2-CG1 4.36Å; L62-I75 PolarHBondContact N-O 2.73Å; L62-I75 PolarHBondContact O-N 3.17Å; L62-I75 VanDerWaalsContact O-N 3.1Å; L62-H77 HydrophobicContact CB-CB 4.25Å; L62-L215 HydrophobicContact CD2-CD2 3.45Å; L62-L215 VanDerWaalsContact CD2-CD2 3.45Å; L62-W216 VanDerWaalsContact CD2-CD1 3.42Å; L62-W216 HydrophobicContact CD2-CG 4.36Å; L62-V219 HydrophobicContact CD2-CG2 4.22Å
63	R	98.7	Very high	97.6	Very high	22 Å²	22	28.1 Å²	28.1	8%	0.083	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.7	170.1	-66.9	157.8	-171.4	72.9	6.9	108	H56 T61 P72 V73 I74 R602 W606	H56-R63 HydrophobicContact CB-CB 4.17Å; H56-R63 PolarHBondContact N-O 2.9Å; H56-R63 PolarHBondContact O-N 2.98Å; T61-R63 PolarHBondContact O-NH1 2.94Å; T61-R63 PolarHBondContact OG1-NH1 2.92Å; T61-R63 PolarHBondContact OG1-NH2 2.7Å; T61-R63 VanDerWaalsContact OG1-NH2 3.09Å; R63-P72 HydrophobicContact CB-CB 4.11Å; R63-P72 HydrophobicContact CB-CG 4.13Å; R63-P72 HydrophobicContact CG-CG 4.33Å; R63-V73 WeakPolarHBondContact CA-O 3.33Å; R63-I74 HydrophobicContact CG-CG1 4.25Å; R63-I74 HydrophobicContact CG-CG2 4.44Å; R63-R602 WeakPolarHBondContact CD-O 3.42Å; R63-R602 PolarHBondContact NE-O 2.94Å; R63-W606 HydrophobicContact CB-CB 4.42Å; R63-W606 HydrophobicContact CB-CG 4.28Å
64	I	98.6	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.1	-177.8	-171.1	170.6	0	0	0	110.2	I53 V54 I55 L62 V73 V219 I220 L224	I53-I64 HydrophobicContact CG2-CD1 4.09Å; I53-I64 HydrophobicContact CG2-CG1 3.78Å; V54-I64 WeakPolarHBondContact O-CA 3.32Å; I55-I64 HydrophobicContact CD1-CD1 4.28Å; I55-I64 HydrophobicContact CG1-CD1 3.9Å; I55-I64 HydrophobicContact CG1-CG1 4.07Å; I55-I64 HydrophobicContact CG2-CD1 4.44Å; L62-I64 HydrophobicContact CD2-CG2 4.22Å; L62-I64 HydrophobicContact CG-CB 4.36Å; L62-I64 HydrophobicContact CG-CG2 4.29Å; I64-V73 HydrophobicContact CG2-CB 4.34Å; I64-V73 PolarHBondContact N-O 3.24Å; I64-V73 WeakPolarHBondContact O-CA 3.48Å; I64-V73 WeakPolarHBondContact O-CB 3.43Å; I64-V73 PolarHBondContact O-N 2.96Å; I64-V219 HydrophobicContact CG2-CB 4.05Å; I64-V219 HydrophobicContact CG2-CG1 3.22Å; I64-I220 HydrophobicContact CD1-CD1 4.12Å; I64-I220 HydrophobicContact CD1-CG1 3.76Å; I64-L224 HydrophobicContact CG1-CD1 4.28Å
65	G	98.4	Very high	97.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	173.5	-179.5	0	0	0	0	0	111.4	I53 V54	I53-G65 CarbonylContact C-O 3.6Å; I53-G65 WeakPolarHBondContact CA-O 3.3Å; V54-G65 PolarHBondContact N-O 2.81Å; V54-G65 PolarHBondContact O-N 2.8Å
66	R	97.9	Very high	97.5	Very high	48 Å²	48	33.2 Å²	33.2	18%	0.181	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	151.5	170.1	-55.9	172.3	176	82.2	-0.5	109.3	N50 V52 I53 T68 D69 L224 W606	N50-R66 WeakPolarHBondContact OD1-CD 3.42Å; V52-R66 CarbonylContact O-C 3.55Å; V52-R66 VanDerWaalsContact O-CA 3.32Å; V52-R66 WeakPolarHBondContact O-CA 3.36Å; I53-R66 HydrophobicContact CD1-CB 4.49Å; I53-R66 HydrophobicContact CD1-CG 3.83Å; R66-T68 PolarHBondContact O-N 2.71Å; R66-D69 PolarHBondContact N-OD2 3.27Å; R66-D69 WeakPolarHBondContact O-CB 3.26Å; R66-D69 PolarHBondContact O-N 3.26Å; R66-L224 PolarHBondContact NH1-O 2.89Å; R66-L224 PolarHBondContact NH2-O 2.96Å; R66-W606 WeakPolarHBondContact O-CH2 3.48Å; R66-W606 WeakPolarHBondContact O-CZ2 3.44Å
67	A	97	Very high	97.5	Very high	13 Å²	13	32.5 Å²	32.5	11%	0.107	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20	174.8	0	0	0	0	0	112.7	V52 V54 A610 A613	V52-A67 HydrophobicContact CB-CB 4.09Å; V52-A67 HydrophobicContact CG1-CB 4.29Å; V52-A67 PolarHBondContact O-N 3.41Å; V54-A67 HydrophobicContact CG2-CB 4.05Å; A67-A610 HydrophobicContact CB-CB 4.14Å; A67-A613 HydrophobicContact CB-CB 3.72Å
68	T	95.7	Very high	97.5	Very high	65 Å²	65	31.1 Å²	31.1	40%	0.399	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.7	173.1	47.5	0	0	0	0	114.1	S49 N50 R66	S49-T68 WeakPolarHBondContact OG-CG2 3.42Å; N50-T68 HydrophobicContact CB-CG2 4.17Å; R66-T68 PolarHBondContact O-N 2.71Å
69	D	95.9	Very high	97.6	Very high	45 Å²	45	30.3 Å²	30.3	24%	0.241	17%	0.168	C	C	.	.			trans	-70.5	137.3	-176.4	-63.6	-18.7	0	0	0	110	R66 L71 W606	R66-D69 PolarHBondContact N-OD2 3.27Å; R66-D69 WeakPolarHBondContact O-CB 3.26Å; R66-D69 PolarHBondContact O-N 3.26Å; D69-L71 VanDerWaalsContact C-N 3.31Å; D69-L71 PolarHBondContact O-N 3.03Å; D69-W606 HydrophobicContact CB-CH2 4.14Å; D69-W606 WeakPolarHBondContact O-CH2 3.47Å
70	T	94	Very high	97.6	Very high	119 Å²	119	29.9 Å²	29.9	73%	0.73	17%	0.165	S	C	*	.	S	Bend	trans	-68.9	-33.8	178.4	51.2	0	0	0	0	112.2
71	L	96.6	Very high	97.7	Very high	105 Å²	105	32.1 Å²	32.1	55%	0.55	17%	0.173	S	C	.	.	S	Bend	trans	-135.5	139.5	177.5	-61.9	175.4	0	0	0	109.3	D69 L603	D69-L71 VanDerWaalsContact C-N 3.31Å; D69-L71 PolarHBondContact O-N 3.03Å; L71-L603 HydrophobicContact CD2-CD1 3.61Å
72	P	97.9	Very high	97.6	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.071	18%	0.175	C	C	.	.			trans	-70.9	158.7	172.3	27.7	-29.6	0	0	0	111.2	R63 I74 L603 W606	R63-P72 HydrophobicContact CB-CB 4.11Å; R63-P72 HydrophobicContact CB-CG 4.13Å; R63-P72 HydrophobicContact CG-CG 4.33Å; P72-I74 HydrophobicContact CG-CG1 4.23Å; P72-I74 PolarHBondContact O-N 3.16Å; P72-L603 HydrophobicContact CG-CD2 3.84Å; P72-W606 HydrophobicContact CB-CD2 3.62Å; P72-W606 HydrophobicContact CB-CE3 4Å; P72-W606 HydrophobicContact CB-CG 4.06Å; P72-W606 HydrophobicContact CB-CH2 4.25Å; P72-W606 HydrophobicContact CB-CZ2 3.88Å; P72-W606 HydrophobicContact CB-CZ3 4.3Å; P72-W606 HydrophobicContact CG-CD2 3.73Å; P72-W606 HydrophobicContact CG-CE3 3.8Å; P72-W606 HydrophobicContact CG-CG 4.07Å; P72-W606 HydrophobicContact CG-CZ3 4.31Å
73	V	98.1	Very high	97.4	Very high	32 Å²	32	34.6 Å²	34.6	19%	0.194	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	126.8	157.6	178	0	0	0	0	108.2	R63 I64 I75 V219 H223 L224	R63-V73 WeakPolarHBondContact CA-O 3.33Å; I64-V73 HydrophobicContact CG2-CB 4.34Å; I64-V73 PolarHBondContact N-O 3.24Å; I64-V73 WeakPolarHBondContact O-CA 3.48Å; I64-V73 WeakPolarHBondContact O-CB 3.43Å; I64-V73 PolarHBondContact O-N 2.96Å; V73-I75 HydrophobicContact CG1-CG2 3.94Å; V73-V219 HydrophobicContact CB-CG1 4.38Å; V73-V219 HydrophobicContact CG1-CG1 3.87Å; V73-H223 HydrophobicContact CB-CB 4.38Å; V73-H223 HydrophobicContact CG1-CB 3.74Å; V73-H223 HydrophobicContact CG2-CB 3.85Å; V73-L224 HydrophobicContact CG2-CD2 3.61Å
74	I	98.1	Very high	96.9	Very high	77 Å²	77	43 Å²	43	40%	0.395	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.2	177.9	-47.2	176.6	0	0	0	107.9	T61 L62 R63 P72 L603	T61-I74 HydrophobicContact CG2-CG2 4.16Å; L62-I74 WeakPolarHBondContact O-CA 3.35Å; R63-I74 HydrophobicContact CG-CG1 4.25Å; R63-I74 HydrophobicContact CG-CG2 4.44Å; P72-I74 HydrophobicContact CG-CG1 4.23Å; P72-I74 PolarHBondContact O-N 3.16Å; I74-L603 HydrophobicContact CD1-CD2 3.58Å; I74-L603 HydrophobicContact CG1-CD2 4.39Å
75	I	97.8	Very high	96.2	Very high	14 Å²	14	50 Å²	50	7%	0.072	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.6	175.9	62.5	144.2	0	0	0	111.4	T61 L62 V73 H77 V171 L215 V219	T61-I75 WeakPolarHBondContact CA-O 3.44Å; L62-I75 HydrophobicContact CB-CG1 4.15Å; L62-I75 HydrophobicContact CD2-CD1 4.45Å; L62-I75 HydrophobicContact CD2-CG1 4.36Å; L62-I75 PolarHBondContact N-O 2.73Å; L62-I75 PolarHBondContact O-N 3.17Å; L62-I75 VanDerWaalsContact O-N 3.1Å; V73-I75 HydrophobicContact CG1-CG2 3.94Å; I75-H77 PolarHBondContact O-N 3.15Å; I75-V171 HydrophobicContact CD1-CG1 3.91Å; I75-L215 HydrophobicContact CD1-CD2 3.92Å; I75-V219 HydrophobicContact CD1-CG2 3.17Å; I75-V219 HydrophobicContact CG1-CG2 3.81Å
76	P	98.3	Very high	95.3	Very high	15 Å²	15	53.9 Å²	53.9	10%	0.097	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	129.2	166.6	-24.4	34.4	0	0	0	111	R60 V78 G172 E173 L176	R60-P76 CarbonylContact O-C 3.51Å; R60-P76 VanDerWaalsContact O-CA 3.31Å; R60-P76 WeakPolarHBondContact O-CA 3.48Å; P76-V78 HydrophobicContact CB-CG1 3.84Å; P76-V78 PolarHBondContact O-N 2.93Å; P76-G172 WeakPolarHBondContact O-CA 3.18Å; P76-E173 HydrophobicContact CG-CG 4.03Å; P76-E173 VanDerWaalsContact CG-OE1 3.3Å; P76-E173 WeakPolarHBondContact CG-OE1 3.48Å; P76-L176 HydrophobicContact CB-CD1 3.75Å; P76-L176 HydrophobicContact CB-CG 4.28Å; P76-L176 HydrophobicContact CG-CD1 3.65Å
77	H	98.4	Very high	94.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-85.2	58.9	-176.5	-161.7	-163.7	0	0	0	111.2	G58 R60 L62 I75 W188 P189 V190 L212 W216	G58-H77 PolarHBondContact O-ND1 2.83Å; R60-H77 PolarHBondContact O-N 3.35Å; L62-H77 HydrophobicContact CB-CB 4.25Å; I75-H77 PolarHBondContact O-N 3.15Å; H77-W188 VanDerWaalsContact O-CE3 3.28Å; H77-P189 WeakPolarHBondContact O-CD 3.48Å; H77-V190 VanDerWaalsContact CE1-CG2 3.49Å; H77-V190 WeakPolarHBondContact CE1-CG2 3.26Å; H77-L212 VanDerWaalsContact NE2-CD2 3.34Å; H77-L212 WeakPolarHBondContact NE2-CD2 3.26Å; H77-W216 AromaticContact NE2-NE1 3.2Å; H77-W216 PolarHBondContact NE2-NE1 3.23Å
78	V	98.6	Very high	93.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	34%	0.335	C	S	.	.			trans	-137.9	146.5	-172.5	65.8	0	0	0	0	110.6	P76 G172 A175 L176 L186 H187 W188 L215	P76-V78 HydrophobicContact CB-CG1 3.84Å; P76-V78 PolarHBondContact O-N 2.93Å; V78-G172 WeakPolarHBondContact CG1-O 3.25Å; V78-G172 PolarHBondContact O-N 3.14Å; V78-A175 HydrophobicContact CG1-CB 4.08Å; V78-L176 HydrophobicContact CG1-CD2 3.84Å; V78-L176 HydrophobicContact CG1-CG 3.93Å; V78-L186 HydrophobicContact CG2-CD1 3.64Å; V78-L186 HydrophobicContact CG2-CD2 3.92Å; V78-L186 HydrophobicContact CG2-CG 3.6Å; V78-H187 WeakPolarHBondContact CG2-O 3.36Å; V78-W188 HydrophobicContact CB-CD2 3.79Å; V78-W188 HydrophobicContact CB-CE3 3.64Å; V78-W188 HydrophobicContact CB-CH2 3.81Å; V78-W188 HydrophobicContact CB-CZ2 3.97Å; V78-W188 HydrophobicContact CB-CZ3 3.64Å; V78-W188 HydrophobicContact CG1-CH2 4.08Å; V78-W188 HydrophobicContact CG1-CZ2 4.4Å; V78-W188 HydrophobicContact CG1-CZ3 4.22Å; V78-W188 HydrophobicContact CG2-CD2 3.7Å; V78-W188 HydrophobicContact CG2-CE3 4.12Å; V78-W188 HydrophobicContact CG2-CG 4.24Å; V78-W188 HydrophobicContact CG2-CH2 4.25Å; V78-W188 HydrophobicContact CG2-CZ2 3.87Å; V78-W188 HydrophobicContact CG2-CZ3 4.36Å; V78-L215 WeakPolarHBondContact O-CD1 3.48Å
79	I	98.6	Very high	93.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.9	176.5	-174.5	171.4	0	0	0	109.5	R81 Y169 L170 V171 H187 P189 D211 T214 L215	I79-R81 HydrophobicContact CD1-CG 4.4Å; I79-R81 HydrophobicContact CG1-CG 4.39Å; I79-Y169 HydrophobicContact CD1-CG 4.5Å; I79-L170 CarbonylContact C-O 3.58Å; I79-L170 WeakPolarHBondContact CA-O 3.41Å; I79-L170 WeakPolarHBondContact CG1-O 3.49Å; I79-V171 HydrophobicContact CD1-CG2 4.32Å; I79-V171 HydrophobicContact CG1-CG2 4.14Å; I79-H187 HydrophobicContact CG2-CB 4.17Å; I79-H187 PolarHBondContact N-O 3.36Å; I79-H187 PolarHBondContact O-N 3.3Å; I79-P189 HydrophobicContact CG2-CG 4.38Å; I79-D211 HydrophobicContact CG2-CB 3.86Å; I79-D211 WeakPolarHBondContact CG2-OD2 3.42Å; I79-T214 HydrophobicContact CD1-CG2 3.76Å; I79-L215 HydrophobicContact CB-CD1 4.42Å
80	A	98.4	Very high	93.1	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.008	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.7	167.3	0	0	0	0	0	108.6	Y169 L170 A175 V178 Y184 N185 L186	A80-Y169 CarbonylContact O-C 3.57Å; A80-Y169 WeakPolarHBondContact O-CA 3.4Å; A80-Y169 WeakPolarHBondContact O-CB 3.47Å; A80-L170 HydrophobicContact CB-CB 4.24Å; A80-L170 PolarHBondContact N-O 3.39Å; A80-L170 PolarHBondContact O-N 3.14Å; A80-A175 HydrophobicContact CB-CB 3.87Å; A80-V178 HydrophobicContact CB-CG2 3.96Å; A80-Y184 HydrophobicContact CB-CD1 4.04Å; A80-Y184 HydrophobicContact CB-CG 4.46Å; A80-N185 CarbonylContact C-O 3.51Å; A80-N185 WeakPolarHBondContact CA-O 3.43Å; A80-L186 HydrophobicContact CB-CD1 4.12Å
81	R	97.8	Very high	93.1	Very high	60 Å²	60	60.9 Å²	60.9	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.3	175.7	-71.9	-152.3	179.7	-81.4	0.4	111.5	I79 Y184 N185 A210 D211 T214	I79-R81 HydrophobicContact CD1-CG 4.4Å; I79-R81 HydrophobicContact CG1-CG 4.39Å; R81-Y184 CarbonylContact O-C 3.58Å; R81-Y184 WeakPolarHBondContact O-CA 3.49Å; R81-N185 PolarHBondContact N-O 2.88Å; R81-N185 PolarHBondContact O-N 2.9Å; R81-A210 PolarHBondContact NH2-O 2.85Å; R81-D211 IonicContact CZ-OD1 2.7Å; R81-D211 IonicContact NE-OD1 3.59Å; R81-D211 PolarHBondContact NE-OD1 3.12Å; R81-D211 IonicContact NE-OD2 2.71Å; R81-D211 IonicContact NH2-OD1 3.96Å; R81-D211 PolarHBondContact NH2-OD1 3.2Å; R81-T214 PolarHBondContact NH2-OG1 3.01Å
82	R	96.5	Very high	93	Very high	84 Å²	84	58.7 Å²	58.7	32%	0.317	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.6	179.6	-161.1	179.5	177.4	-85.7	4	111.1	H166 N168 C183 Y184	R82-H166 PolarHBondContact NH2-CD2 3.03Å; R82-N168 PolarHBondContact N-O 3.18Å; R82-C183 CarbonylContact C-O 3.46Å; R82-C183 WeakPolarHBondContact CA-O 3.34Å; R82-Y184 HydrophobicContact CB-CD1 4Å; R82-Y184 HydrophobicContact CB-CE1 3.53Å; R82-Y184 HydrophobicContact CG-CE1 3.98Å; R82-Y184 HydrophobicContact CG-CE2 4.17Å
83	H	94.1	Very high	93	Very high	16 Å²	16	58.8 Å²	58.8	7%	0.074	32%	0.32	C	S	.	.			trans	-61.6	140.8	167.7	-64.5	174.4	0	0	0	110.8	Q88 C183 N185	H83-Q88 HydrophobicContact CB-CB 4.43Å; H83-Q88 PolarHBondContact CE1-O 3.38Å; H83-Q88 VanDerWaalsContact CE1-O 3.24Å; H83-C183 HydrophobicContact CB-CB 4.13Å; H83-C183 PolarHBondContact N-O 2.95Å; H83-N185 PolarHBondContact NE2-OD1 3.08Å
84	K	87.1	Confident	92.7	Very high	198 Å²	198	59.8 Å²	59.8	86%	0.861	33%	0.332	S	S	*	.	S	Bend	trans	-85.3	-28.8	177.3	-66.4	-175	179.8	-179.4	0	111.6
85	Q	84.3	Confident	92.5	Very high	147 Å²	147	57.2 Å²	57.2	69%	0.687	32%	0.317	S	S	*	.	S	Bend	trans	-130	151.9	-178.3	-65.3	-180	-8.4	0	0	110	Q88	Q85-Q88 HydrophobicContact CB-CG 4.43Å; Q85-Q88 WeakPolarHBondContact O-CG 3.16Å; Q85-Q88 PolarHBondContact O-OE1 3.29Å
86	G	79.4	Confident	92.5	Very high	81 Å²	81	56.7 Å²	56.7	84%	0.835	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	146.5	173.6	0	0	0	0	0	111.6
87	G	78.4	Confident	92.4	Very high	86 Å²	86	59 Å²	59	89%	0.887	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	8.3	175.5	0	0	0	0	0	115.7
88	Q	85	Confident	92.3	Very high	85 Å²	85	60.6 Å²	60.6	40%	0.397	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-68.2	135.7	171.7	-64.1	-172.7	-81.1	0	0	110.5	H83 Q85 R90	H83-Q88 HydrophobicContact CB-CB 4.43Å; H83-Q88 PolarHBondContact CE1-O 3.38Å; H83-Q88 VanDerWaalsContact CE1-O 3.24Å; Q85-Q88 HydrophobicContact CB-CG 4.43Å; Q85-Q88 WeakPolarHBondContact O-CG 3.16Å; Q85-Q88 PolarHBondContact O-OE1 3.29Å; Q88-R90 PolarHBondContact O-N 2.99Å
89	T	87.4	Confident	92.1	Very high	132 Å²	132	67.4 Å²	67.4	81%	0.81	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-64.7	129.4	173.7	-51.8	0	0	0	0	109.7	Y91	T89-Y91 PolarHBondContact O-N 3.02Å
90	R	90.6	Very high	91.9	Very high	76 Å²	76	67.8 Å²	67.8	29%	0.287	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-65	131.8	176.9	-174.8	164	176.8	-111.5	-18.4	110.6	Q88 E92 P180 Y184 R341	Q88-R90 PolarHBondContact O-N 2.99Å; R90-E92 IonicContact CZ-OE2 3.33Å; R90-E92 IonicContact NH1-OE2 2.84Å; R90-E92 IonicContact NH2-OE2 3.22Å; R90-E92 PolarHBondContact NH2-OE2 3.17Å; R90-P180 WeakPolarHBondContact CD-O 3.41Å; R90-P180 PolarHBondContact NH1-O 3.16Å; R90-Y184 WeakPolarHBondContact CG-O 3.49Å; R90-Y184 PolarHBondContact NE-O 3.27Å; R90-Y184 VanDerWaalsContact NE-O 3.15Å; R90-R341 VanDerWaalsContact NH2-NH2 3.13Å
91	Y	93.9	Very high	91.8	Very high	59 Å²	59	68 Å²	68	23%	0.231	37%	0.368	C	S	.	.			trans	-112.6	133.8	174.8	-177.7	-93	0	0	0	109.8	T89 D93 N185 L186 H187 H198 S201	T89-Y91 PolarHBondContact O-N 3.02Å; Y91-D93 PolarHBondContact OH-OD1 3.41Å; Y91-D93 VanDerWaalsContact OH-OD1 3.08Å; Y91-N185 PolarHBondContact N-OD1 3.17Å; Y91-N185 CarbonylContact O-C 3.47Å; Y91-N185 WeakPolarHBondContact O-CA 3.45Å; Y91-N185 WeakPolarHBondContact O-CB 3.27Å; Y91-L186 PolarHBondContact O-N 2.84Å; Y91-H187 AromaticContact CD1-CD2 3.71Å; Y91-H187 AromaticContact CD1-NE2 3.96Å; Y91-H187 AromaticContact CE1-CD2 3.96Å; Y91-H198 AromaticContact CE1-CE1 3.82Å; Y91-H198 AromaticContact CZ-CE1 3.47Å; Y91-H198 VanDerWaalsContact CZ-CE1 3.47Å; Y91-H198 AromaticContact CZ-NE2 3.98Å; Y91-H198 PolarHBondContact OH-CE1 2.9Å; Y91-H198 PolarHBondContact OH-ND1 2.76Å; Y91-H198 PolarHBondContact OH-NE2 3.29Å; Y91-S201 WeakPolarHBondContact CD1-O 3.44Å; Y91-S201 WeakPolarHBondContact CE1-O 3.36Å
92	E	95.1	Very high	91.7	Very high	59 Å²	59	72.5 Å²	72.5	28%	0.276	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-140.2	117.9	176.7	177.4	158.2	-168.9	0	0	108.6	R90 L186 R341	R90-E92 IonicContact CZ-OE2 3.33Å; R90-E92 IonicContact NH1-OE2 2.84Å; R90-E92 IonicContact NH2-OE2 3.22Å; R90-E92 PolarHBondContact NH2-OE2 3.17Å; E92-L186 HydrophobicContact CB-CB 4.39Å; E92-L186 HydrophobicContact CG-CB 4.06Å; E92-L186 HydrophobicContact CG-CD2 3.96Å; E92-R341 WeakPolarHBondContact OE1-CD 3.47Å; E92-R341 WeakPolarHBondContact OE1-CG 3.32Å; E92-R341 IonicContact OE1-CZ 2.59Å; E92-R341 IonicContact OE1-NE 3.41Å; E92-R341 PolarHBondContact OE1-NE 2.91Å; E92-R341 IonicContact OE2-NE 3.1Å
93	D	96.4	Very high	91.6	Very high	12 Å²	12	74 Å²	74	6%	0.064	41%	0.405	C	S	.	.			trans	-60.9	139.2	174.5	-94.9	-43.2	0	0	0	110.8	Y91 L186 H187 W188 N196 H198	Y91-D93 PolarHBondContact OH-OD1 3.41Å; Y91-D93 VanDerWaalsContact OH-OD1 3.08Å; D93-L186 PolarHBondContact N-O 2.9Å; D93-H187 VanDerWaalsContact OD2-CA 3.23Å; D93-H187 WeakPolarHBondContact OD2-CA 3.4Å; D93-W188 HydrophobicContact CB-CB 4.24Å; D93-W188 VanDerWaalsContact CB-CD1 3.47Å; D93-W188 HydrophobicContact CB-CG 4.25Å; D93-W188 PolarHBondContact OD2-N 3.22Å; D93-N196 PolarHBondContact OD1-ND2 3.25Å; D93-N196 PolarHBondContact OD2-ND2 3.49Å; D93-H198 IonicContact OD1-CD2 2.83Å; D93-H198 IonicContact OD1-NE2 3.67Å; D93-H198 PolarHBondContact OD1-NE2 3.46Å
94	A	93.3	Very high	91.6	Very high	54 Å²	54	77.9 Å²	77.9	45%	0.446	44%	0.44	S	S	.	.			trans	-67.8	137.6	-177.6	0	0	0	0	0	112.6	R60 L97	R60-A94 PolarHBondContact NH2-O 2.87Å; R60-A94 VanDerWaalsContact NH2-O 3.12Å; A94-L97 HydrophobicContact CB-CB 4.35Å; A94-L97 WeakPolarHBondContact CB-O 3.45Å
95	W	94.1	Very high	92	Very high	23 Å²	23	73.5 Å²	73.5	9%	0.087	42%	0.423	C	S	.	.	S	Bend	trans	-89.9	-81.6	172.5	-166	-17.2	0	0	0	113	R60 L176 W188 C344 Q345	R60-W95 VanDerWaalsContact NE-CD1 3.29Å; R60-W95 VanDerWaalsContact NH2-CA 3.29Å; R60-W95 PolarHBondContact NH2-O 3.04Å; W95-L176 HydrophobicContact CZ3-CD2 4.37Å; W95-W188 HydrophobicContact CD2-CZ2 4.33Å; W95-W188 HydrophobicContact CE3-CZ2 4.28Å; W95-W188 HydrophobicContact CZ2-CH2 4.41Å; W95-W188 HydrophobicContact CZ3-CZ2 4.48Å; W95-C344 HydrophobicContact CB-CB 4.42Å; W95-C344 HydrophobicContact CD2-CB 3.71Å; W95-C344 HydrophobicContact CE3-CB 3.34Å; W95-C344 HydrophobicContact CG-CB 4.17Å; W95-C344 HydrophobicContact CZ3-CB 3.89Å; W95-Q345 HydrophobicContact CH2-CG 3.59Å; W95-Q345 HydrophobicContact CZ3-CG 3.66Å
96	L	96.8	Very high	92.6	Very high	3 Å²	3	66.6 Å²	66.6	2%	0.016	39%	0.391	C	S	.	.	S	Bend	trans	-88.1	-19	-175.6	-61.7	-178.1	0	0	0	112.4	T319 R320 L338 C344 L347	L96-T319 HydrophobicContact CD1-CG2 3.73Å; L96-T319 HydrophobicContact CD2-CG2 4.12Å; L96-R320 WeakPolarHBondContact O-CD 3.26Å; L96-L338 HydrophobicContact CB-CD2 4.2Å; L96-L338 HydrophobicContact CD1-CD2 3.85Å; L96-C344 HydrophobicContact CD1-CB 3.87Å; L96-C344 HydrophobicContact CG-CB 4.03Å; L96-L347 HydrophobicContact CD1-CB 4.33Å; L96-L347 HydrophobicContact CD1-CD1 4.06Å
97	L	96.5	Very high	93.4	Very high	62 Å²	62	66 Å²	66	33%	0.325	37%	0.374	S	S	.	.			trans	-82.3	150.7	173.3	-65.3	177.4	0	0	0	111	A94 L101 L338 T339	A94-L97 HydrophobicContact CB-CB 4.35Å; A94-L97 WeakPolarHBondContact CB-O 3.45Å; L97-L101 HydrophobicContact CD2-CD1 4.22Å; L97-L338 HydrophobicContact CD1-CB 4.21Å; L97-L338 HydrophobicContact CD2-CB 3.83Å; L97-L338 HydrophobicContact CD2-CD1 3.72Å; L97-L338 HydrophobicContact CD2-CG 4.45Å; L97-L338 HydrophobicContact CG-CB 3.82Å; L97-T339 HydrophobicContact CD1-CG2 3.72Å
98	R	95.7	Very high	94.3	Very high	35 Å²	35	68 Å²	68	13%	0.132	36%	0.36	C	S	.	.			trans	-156.1	167.6	177.2	61.7	-172.3	-65	171.3	-2	110.1	L101 A312 D317	R98-L101 HydrophobicContact CG-CD1 3.9Å; R98-L101 HydrophobicContact CG-CD2 3.95Å; R98-L101 HydrophobicContact CG-CG 3.79Å; R98-L101 VanDerWaalsContact O-CG 3.32Å; R98-L101 WeakPolarHBondContact O-CG 3.41Å; R98-A312 PolarHBondContact NH1-O 3.04Å; R98-A312 PolarHBondContact NH2-O 3.38Å; R98-D317 WeakPolarHBondContact CD-OD1 3.45Å; R98-D317 IonicContact CZ-OD1 3.46Å; R98-D317 IonicContact NH1-OD1 3.39Å; R98-D317 PolarHBondContact NH1-OD1 3.13Å; R98-D317 IonicContact NH1-OD2 3.66Å; R98-D317 PolarHBondContact NH1-OD2 3.09Å
99	E	95.1	Very high	94.8	Very high	143 Å²	143	67 Å²	67	67%	0.668	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	153.2	172.8	-63.5	-173.4	179.6	0	0	112.1	Q407	E99-Q407 PolarHBondContact OE2-NE2 2.99Å; E99-Q407 VanDerWaalsContact OE2-NE2 3.11Å
100	G	94.6	Very high	95.3	Very high	7 Å²	7	62.1 Å²	62.1	7%	0.072	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	0.4	176.2	0	0	0	0	0	115.6	S106 G403 I404 V405	G100-S106 PolarHBondContact O-OG 2.63Å; G100-G403 VanDerWaalsContact O-O 3.09Å; G100-I404 WeakPolarHBondContact O-CA 3.23Å; G100-V405 WeakPolarHBondContact CA-O 3.37Å; G100-V405 PolarHBondContact O-N 3.36Å
101	L	95.6	Very high	95.6	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.7	-177.8	-63.9	-172.8	0	0	0	115.7	L97 R98 S106 R110 R320 I404	L97-L101 HydrophobicContact CD2-CD1 4.22Å; R98-L101 HydrophobicContact CG-CD1 3.9Å; R98-L101 HydrophobicContact CG-CD2 3.95Å; R98-L101 HydrophobicContact CG-CG 3.79Å; R98-L101 VanDerWaalsContact O-CG 3.32Å; R98-L101 WeakPolarHBondContact O-CG 3.41Å; L101-S106 WeakPolarHBondContact O-CB 3.5Å; L101-S106 PolarHBondContact O-OG 3.26Å; L101-R110 PolarHBondContact O-NH2 2.71Å; L101-R320 VanDerWaalsContact CD2-NH1 3.32Å; L101-R320 VanDerWaalsContact CD2-NH2 3.27Å; L101-I404 HydrophobicContact CD2-CG1 3.54Å
102	N	95.1	Very high	95.7	Very high	153 Å²	153	62 Å²	62	82%	0.818	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	30.9	-172.5	-61	-35.8	0	0	0	111.7
103	K	95.5	Very high	95.8	Very high	116 Å²	116	59.1 Å²	59.1	50%	0.504	32%	0.316	S	S	.	.	S	Bend	trans	-74.1	162	168	-59.5	-65.3	-173.8	175.4	0	109	E105 S106 V405	K103-E105 PolarHBondContact O-N 2.85Å; K103-E105 VanDerWaalsContact O-N 3.16Å; K103-S106 WeakPolarHBondContact CB-OG 3.46Å; K103-S106 PolarHBondContact N-OG 2.99Å; K103-S106 VanDerWaalsContact O-CB 3.29Å; K103-S106 WeakPolarHBondContact O-CB 3.3Å; K103-S106 PolarHBondContact O-N 3.01Å; K103-S106 PolarHBondContact O-OG 3.34Å; K103-V405 HydrophobicContact CB-CB 3.98Å; K103-V405 HydrophobicContact CB-CG1 4.2Å; K103-V405 HydrophobicContact CG-CB 4.05Å; K103-V405 HydrophobicContact CG-CG1 4.36Å
104	A	94.4	Very high	95.9	Very high	97 Å²	97	58.9 Å²	58.9	80%	0.802	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.3	-176.6	0	0	0	0	0	111.9
105	E	95.4	Very high	96.1	Very high	107 Å²	107	62.6 Å²	62.6	50%	0.5	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-12.8	-177.6	-47.5	87.5	159.6	0	0	113.1	K103 S107 E108 Q109 V405	K103-E105 PolarHBondContact O-N 2.85Å; K103-E105 VanDerWaalsContact O-N 3.16Å; E105-S107 VanDerWaalsContact C-N 3.31Å; E105-S107 PolarHBondContact O-N 2.69Å; E105-E108 PolarHBondContact O-N 3.42Å; E105-Q109 WeakPolarHBondContact O-CB 3.45Å; E105-Q109 PolarHBondContact O-N 2.89Å; E105-V405 HydrophobicContact CB-CG2 4.34Å
106	S	96.1	Very high	96.3	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.007	34%	0.336	C	S	.	.	H	α-helix	trans	-61.9	-37.7	-173.5	-67.3	0	0	0	0	112.8	G100 L101 K103 R110 G403	G100-S106 PolarHBondContact O-OG 2.63Å; L101-S106 WeakPolarHBondContact O-CB 3.5Å; L101-S106 PolarHBondContact O-OG 3.26Å; K103-S106 WeakPolarHBondContact CB-OG 3.46Å; K103-S106 PolarHBondContact N-OG 2.99Å; K103-S106 VanDerWaalsContact O-CB 3.29Å; K103-S106 WeakPolarHBondContact O-CB 3.3Å; K103-S106 PolarHBondContact O-N 3.01Å; K103-S106 PolarHBondContact O-OG 3.34Å; S106-R110 VanDerWaalsContact O-CB 3.3Å; S106-R110 WeakPolarHBondContact O-CB 3.23Å; S106-R110 PolarHBondContact O-N 2.95Å; S106-R110 VanDerWaalsContact O-N 3.1Å; S106-G403 VanDerWaalsContact CB-O 3.24Å; S106-G403 WeakPolarHBondContact CB-O 3.47Å; S106-G403 PolarHBondContact OG-O 3.45Å
107	S	96.4	Very high	96.4	Very high	69 Å²	69	65.4 Å²	65.4	48%	0.483	34%	0.335	S	S	.	.	H	α-helix	trans	-68.5	-46.7	178.9	-170.1	0	0	0	0	111.3	E105 R110 Q111	E105-S107 VanDerWaalsContact C-N 3.31Å; E105-S107 PolarHBondContact O-N 2.69Å; S107-R110 PolarHBondContact O-N 2.72Å; S107-Q111 WeakPolarHBondContact O-CG 3.33Å; S107-Q111 PolarHBondContact O-N 3.35Å
108	E	96.9	Very high	96.4	Very high	128 Å²	128	65.4 Å²	65.4	60%	0.598	34%	0.336	S	S	*	.	H	α-helix	trans	-65	-45.2	178.7	-176	178.8	-176.5	0	0	111.5	E105 R110 Q111 N112	E105-E108 PolarHBondContact O-N 3.42Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 2.9Å; E108-Q111 PolarHBondContact O-N 2.84Å; E108-N112 WeakPolarHBondContact O-CB 3.29Å; E108-N112 PolarHBondContact O-N 2.96Å; E108-N112 PolarHBondContact O-ND2 2.96Å
109	Q	96	Very high	96.5	Very high	64 Å²	64	70.1 Å²	70.1	30%	0.299	36%	0.359	S	S	.	.	H	α-helix	trans	-57.8	-43.4	176.7	-170.3	-170	67.6	0	0	111.4	E105 N112 G113 S400 G403 I404	E105-Q109 WeakPolarHBondContact O-CB 3.45Å; E105-Q109 PolarHBondContact O-N 2.89Å; Q109-N112 PolarHBondContact O-N 2.72Å; Q109-G113 PolarHBondContact O-N 3.44Å; Q109-S400 CarbonylContact C-O 3.51Å; Q109-G403 VanDerWaalsContact OE1-C 3.3Å; Q109-G403 VanDerWaalsContact OE1-CA 3.27Å; Q109-I404 VanDerWaalsContact OE1-N 3.09Å; Q109-I404 PolarHBondContact OE1-O 3.38Å
110	R	97.4	Very high	96.6	Very high	30 Å²	30	63.8 Å²	63.8	11%	0.113	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-46.9	176.2	176.5	176.4	-39.2	119.8	6.9	111.9	L101 S106 S107 E108 G113 L114 I321 W324 T401	L101-R110 PolarHBondContact O-NH2 2.71Å; S106-R110 VanDerWaalsContact O-CB 3.3Å; S106-R110 WeakPolarHBondContact O-CB 3.23Å; S106-R110 PolarHBondContact O-N 2.95Å; S106-R110 VanDerWaalsContact O-N 3.1Å; S107-R110 PolarHBondContact O-N 2.72Å; E108-R110 VanDerWaalsContact C-N 3.29Å; E108-R110 PolarHBondContact O-N 2.9Å; R110-G113 PolarHBondContact O-N 3.45Å; R110-L114 PolarHBondContact O-N 3.24Å; R110-I321 HydrophobicContact CG-CD1 4.43Å; R110-W324 HydrophobicContact CG-CE3 4.36Å; R110-W324 HydrophobicContact CG-CH2 3.9Å; R110-W324 HydrophobicContact CG-CZ2 4.08Å; R110-W324 HydrophobicContact CG-CZ3 4.04Å; R110-T401 VanDerWaalsContact CG-O 3.32Å; R110-T401 WeakPolarHBondContact CG-O 3.44Å
111	Q	96.8	Very high	96.6	Very high	62 Å²	62	63.9 Å²	63.9	29%	0.29	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-43.2	178.3	-68.6	-66.2	-8.4	0	0	112	S107 E108 G113 L114 K115	S107-Q111 WeakPolarHBondContact O-CG 3.33Å; S107-Q111 PolarHBondContact O-N 3.35Å; E108-Q111 PolarHBondContact O-N 2.84Å; Q111-G113 VanDerWaalsContact C-N 3.35Å; Q111-L114 PolarHBondContact O-N 2.99Å; Q111-K115 WeakPolarHBondContact O-CG 3.16Å; Q111-K115 PolarHBondContact O-N 2.85Å
112	N	97	Very high	96.6	Very high	69 Å²	69	69.8 Å²	69.8	37%	0.369	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-38.2	177.3	-70.1	-21.4	0	0	0	111.6	E108 Q109 K115 M116	E108-N112 WeakPolarHBondContact O-CB 3.29Å; E108-N112 PolarHBondContact O-N 2.96Å; E108-N112 PolarHBondContact O-ND2 2.96Å; Q109-N112 PolarHBondContact O-N 2.72Å; N112-K115 PolarHBondContact O-N 2.75Å; N112-M116 WeakPolarHBondContact O-CG 3.34Å; N112-M116 PolarHBondContact O-N 3.26Å
113	G	97.5	Very high	96.6	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-47.2	171.1	0	0	0	0	0	112.8	Q109 R110 Q111 K115 M116 V117 S400 T401	Q109-G113 PolarHBondContact O-N 3.44Å; R110-G113 PolarHBondContact O-N 3.45Å; Q111-G113 VanDerWaalsContact C-N 3.35Å; G113-K115 VanDerWaalsContact C-N 3.33Å; G113-K115 PolarHBondContact O-N 2.99Å; G113-M116 WeakPolarHBondContact O-CB 3.48Å; G113-M116 PolarHBondContact O-N 3.07Å; G113-M116 VanDerWaalsContact O-N 3.08Å; G113-V117 PolarHBondContact O-N 2.91Å; G113-S400 WeakPolarHBondContact CA-OG 3.49Å; G113-T401 WeakPolarHBondContact CA-OG1 3.43Å; G113-T401 PolarHBondContact O-OG1 3.4Å
114	L	97.9	Very high	96.5	Very high	6 Å²	6	63 Å²	63	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-40.6	177.4	-174.4	65.1	0	0	0	111.9	R110 Q111 M116 V117 D118 W324 L325 Q391 T401	R110-L114 PolarHBondContact O-N 3.24Å; Q111-L114 PolarHBondContact O-N 2.99Å; L114-M116 VanDerWaalsContact C-N 3.3Å; L114-M116 PolarHBondContact O-N 3.37Å; L114-V117 WeakPolarHBondContact O-CA 3.36Å; L114-V117 WeakPolarHBondContact O-CB 3.38Å; L114-V117 PolarHBondContact O-N 2.78Å; L114-D118 PolarHBondContact O-N 3.39Å; L114-W324 HydrophobicContact CD2-CH2 3.7Å; L114-W324 HydrophobicContact CD2-CZ3 3.85Å; L114-L325 HydrophobicContact CD1-CD2 4.21Å; L114-L325 HydrophobicContact CD2-CD2 4.15Å; L114-Q391 HydrophobicContact CD1-CB 4.15Å; L114-Q391 HydrophobicContact CD1-CG 4.17Å; L114-T401 HydrophobicContact CB-CG2 4.38Å
115	K	97.9	Very high	96.5	Very high	132 Å²	132	64.4 Å²	64.4	57%	0.574	31%	0.313	S	S	*	.	H	α-helix	trans	-59	-39.4	173.9	-70.9	172.6	-175.3	171.3	0	112.5	Q111 N112 G113 V117 D118 Q119	Q111-K115 WeakPolarHBondContact O-CG 3.16Å; Q111-K115 PolarHBondContact O-N 2.85Å; N112-K115 PolarHBondContact O-N 2.75Å; G113-K115 VanDerWaalsContact C-N 3.33Å; G113-K115 PolarHBondContact O-N 2.99Å; K115-V117 VanDerWaalsContact C-N 3.33Å; K115-D118 PolarHBondContact O-N 3.43Å; K115-Q119 WeakPolarHBondContact O-CB 3.43Å; K115-Q119 PolarHBondContact O-N 3.31Å
116	M	97.8	Very high	96.5	Very high	85 Å²	85	60.6 Å²	60.6	42%	0.419	30%	0.295	S	S	.	.	H	α-helix	trans	-66.6	-36.2	175.2	-64.7	-177.5	74.5	0	0	112	N112 G113 L114 A120 Y398	N112-M116 WeakPolarHBondContact O-CG 3.34Å; N112-M116 PolarHBondContact O-N 3.26Å; G113-M116 WeakPolarHBondContact O-CB 3.48Å; G113-M116 PolarHBondContact O-N 3.07Å; G113-M116 VanDerWaalsContact O-N 3.08Å; L114-M116 VanDerWaalsContact C-N 3.3Å; L114-M116 PolarHBondContact O-N 3.37Å; M116-A120 VanDerWaalsContact O-CB 3.32Å; M116-A120 WeakPolarHBondContact O-CB 3.29Å; M116-A120 PolarHBondContact O-N 3.23Å; M116-Y398 HydrophobicContact CB-CD1 3.64Å; M116-Y398 HydrophobicContact CB-CE1 4.03Å; M116-Y398 HydrophobicContact CB-CG 4.34Å; M116-Y398 HydrophobicContact CE-CD1 3.95Å; M116-Y398 HydrophobicContact CE-CE1 4.08Å; M116-Y398 HydrophobicContact SD-CD1 4.39Å
117	V	98.2	Very high	96.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-50.3	173.2	169.9	0	0	0	0	110.2	G113 L114 K115 Q119 A120 I121 Q391 M394 Y398	G113-V117 PolarHBondContact O-N 2.91Å; L114-V117 WeakPolarHBondContact O-CA 3.36Å; L114-V117 WeakPolarHBondContact O-CB 3.38Å; L114-V117 PolarHBondContact O-N 2.78Å; K115-V117 VanDerWaalsContact C-N 3.33Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 2.63Å; V117-A120 WeakPolarHBondContact O-CA 3.25Å; V117-A120 WeakPolarHBondContact O-CB 3.36Å; V117-A120 PolarHBondContact O-N 2.91Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.42Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.29Å; V117-Q391 HydrophobicContact CG1-CB 4.14Å; V117-Q391 HydrophobicContact CG1-CG 4.06Å; V117-M394 HydrophobicContact CG1-CB 3.64Å; V117-M394 HydrophobicContact CG1-CE 4.11Å; V117-M394 HydrophobicContact CG1-CG 4.45Å; V117-M394 HydrophobicContact CG1-SD 4.13Å; V117-M394 HydrophobicContact CG2-CB 4.16Å; V117-Y398 HydrophobicContact CG2-CD2 3.77Å; V117-Y398 HydrophobicContact CG2-CG 3.93Å
118	D	97.4	Very high	96.2	Very high	63 Å²	63	67.5 Å²	67.5	34%	0.337	34%	0.335	S	S	.	.	H	α-helix	trans	-59.9	-44.2	179.4	-67.9	-25.8	0	0	0	111.9	L114 K115 A120 I121 W122 Q391	L114-D118 PolarHBondContact O-N 3.39Å; K115-D118 PolarHBondContact O-N 3.43Å; D118-A120 VanDerWaalsContact C-N 3.29Å; D118-A120 PolarHBondContact O-N 2.85Å; D118-I121 PolarHBondContact O-N 3.02Å; D118-W122 WeakPolarHBondContact O-CB 3.07Å; D118-W122 PolarHBondContact O-N 3.27Å; D118-Q391 PolarHBondContact OD1-NE2 3.02Å
119	Q	97	Very high	96.1	Very high	133 Å²	133	63.2 Å²	63.2	62%	0.621	33%	0.326	S	S	*	.	H	α-helix	trans	-59.7	-41.6	174.6	-174.4	-176.5	10.5	0	0	111.5	K115 V117 S123	K115-Q119 WeakPolarHBondContact O-CB 3.43Å; K115-Q119 PolarHBondContact O-N 3.31Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 2.63Å; Q119-S123 VanDerWaalsContact O-CB 3.27Å; Q119-S123 WeakPolarHBondContact O-CB 3.09Å; Q119-S123 PolarHBondContact O-N 3.44Å; Q119-S123 PolarHBondContact O-OG 2.91Å
120	A	96.6	Very high	96	Very high	11 Å²	11	64.1 Å²	64.1	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-42	179.2	0	0	0	0	0	112.2	M116 V117 D118 S123 K124 M394 Y398	M116-A120 VanDerWaalsContact O-CB 3.32Å; M116-A120 WeakPolarHBondContact O-CB 3.29Å; M116-A120 PolarHBondContact O-N 3.23Å; V117-A120 WeakPolarHBondContact O-CA 3.25Å; V117-A120 WeakPolarHBondContact O-CB 3.36Å; V117-A120 PolarHBondContact O-N 2.91Å; D118-A120 VanDerWaalsContact C-N 3.29Å; D118-A120 PolarHBondContact O-N 2.85Å; A120-S123 PolarHBondContact O-N 3Å; A120-S123 PolarHBondContact O-OG 2.88Å; A120-K124 PolarHBondContact O-N 3.26Å; A120-M394 HydrophobicContact CB-CE 3.66Å; A120-Y398 HydrophobicContact CB-CE2 3.74Å; A120-Y398 WeakPolarHBondContact CB-OH 3.48Å
121	I	96.6	Very high	95.8	Very high	9 Å²	9	68.2 Å²	68.2	5%	0.046	35%	0.35	C	S	.	.	H	α-helix	trans	-58.3	-53.5	173.1	-67.3	170.7	0	0	0	109.5	V117 D118 S123 K124 L390 Q391 M394	V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.42Å; V117-I121 WeakPolarHBondContact O-CG1 3.3Å; V117-I121 PolarHBondContact O-N 3.29Å; D118-I121 PolarHBondContact O-N 3.02Å; I121-S123 VanDerWaalsContact C-N 3.29Å; I121-S123 PolarHBondContact O-N 3.37Å; I121-K124 PolarHBondContact O-N 2.92Å; I121-K124 VanDerWaalsContact O-O 3.13Å; I121-L390 HydrophobicContact CD1-CD2 3.95Å; I121-L390 HydrophobicContact CD1-CG 3.98Å; I121-L390 HydrophobicContact CG1-CD2 4Å; I121-L390 HydrophobicContact CG1-CG 4.29Å; I121-L390 HydrophobicContact CG2-CD2 4.06Å; I121-Q391 HydrophobicContact CD1-CG 3.84Å; I121-M394 HydrophobicContact CD1-SD 3.73Å; I121-M394 HydrophobicContact CG1-CE 3.77Å; I121-M394 HydrophobicContact CG1-SD 3.24Å; I121-M394 WeakPolarHBondContact CG1-SD 3.4Å
122	W	95.4	Very high	95.7	Very high	130 Å²	130	65.5 Å²	65.5	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-63	-33.1	-178	178.5	83.2	0	0	0	113.8	D118 K124	D118-W122 WeakPolarHBondContact O-CB 3.07Å; D118-W122 PolarHBondContact O-N 3.27Å; W122-K124 VanDerWaalsContact C-N 3.3Å; W122-K124 PolarHBondContact O-N 2.87Å
123	S	94.4	Very high	95.5	Very high	75 Å²	75	67.5 Å²	67.5	52%	0.524	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-29.5	178.6	73.6	0	0	0	0	113.2	Q119 A120 I121	Q119-S123 VanDerWaalsContact O-CB 3.27Å; Q119-S123 WeakPolarHBondContact O-CB 3.09Å; Q119-S123 PolarHBondContact O-N 3.44Å; Q119-S123 PolarHBondContact O-OG 2.91Å; A120-S123 PolarHBondContact O-N 3Å; A120-S123 PolarHBondContact O-OG 2.88Å; I121-S123 VanDerWaalsContact C-N 3.29Å; I121-S123 PolarHBondContact O-N 3.37Å
124	K	93.6	Very high	95.2	Very high	51 Å²	51	72.1 Å²	72.1	22%	0.222	38%	0.382	C	S	.	.	S	Bend	trans	-86.6	125.4	178.6	-172.8	171.5	171	-166.7	0	109	A120 I121 W122 Q359	A120-K124 PolarHBondContact O-N 3.26Å; I121-K124 PolarHBondContact O-N 2.92Å; I121-K124 VanDerWaalsContact O-O 3.13Å; W122-K124 VanDerWaalsContact C-N 3.3Å; W122-K124 PolarHBondContact O-N 2.87Å; K124-Q359 HydrophobicContact CD-CG 3.49Å; K124-Q359 VanDerWaalsContact CD-CG 3.49Å; K124-Q359 HydrophobicContact CG-CG 3.94Å
125	K	94.4	Very high	94.8	Very high	127 Å²	127	73.2 Å²	73.2	55%	0.552	39%	0.389	S	S	*	.	B	Isolated β-bridge	trans	-75.3	150.8	173.1	-69.7	173.1	167.3	-169.3	0	110	G129 R131	K125-G129 VanDerWaalsContact CD-O 3.27Å; K125-G129 WeakPolarHBondContact CD-O 3.43Å; K125-R131 HydrophobicContact CG-CG 4.44Å
126	M	94.8	Very high	94.4	Very high	27 Å²	27	69.1 Å²	69.1	13%	0.133	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-68.8	167.8	166.3	-64.4	-176.8	-58.7	0	0	110	N128 G129 V130 R132 D360	M126-N128 WeakPolarHBondContact CB-OD1 3.48Å; M126-N128 PolarHBondContact O-N 2.78Å; M126-N128 VanDerWaalsContact O-N 3.15Å; M126-G129 PolarHBondContact O-N 3.41Å; M126-V130 HydrophobicContact CE-CB 4.04Å; M126-V130 HydrophobicContact CE-CG1 4.39Å; M126-V130 PolarHBondContact N-O 3.32Å; M126-R132 HydrophobicContact CG-CB 4.28Å; M126-R132 HydrophobicContact SD-CB 4.3Å; M126-R132 HydrophobicContact SD-CG 4.49Å; M126-D360 WeakPolarHBondContact CA-OD1 3.39Å; M126-D360 WeakPolarHBondContact CB-OD1 3.36Å
127	S	93.5	Very high	94.2	Very high	103 Å²	103	66.2 Å²	66.2	72%	0.72	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-26	-178.5	-64.3	0	0	0	0	113.3	G129 D360	S127-G129 PolarHBondContact O-N 2.85Å; S127-D360 VanDerWaalsContact CB-OD2 3.27Å; S127-D360 WeakPolarHBondContact CB-OD2 3.24Å; S127-D360 PolarHBondContact N-OD1 2.67Å; S127-D360 PolarHBondContact OG-OD1 2.95Å; S127-D360 PolarHBondContact OG-OD2 3.01Å
128	N	94	Very high	94	Very high	112 Å²	112	73.4 Å²	73.4	60%	0.599	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	3.3	173.4	67.1	8.6	0	0	0	114.3	M126 V130	M126-N128 WeakPolarHBondContact CB-OD1 3.48Å; M126-N128 PolarHBondContact O-N 2.78Å; M126-N128 VanDerWaalsContact O-N 3.15Å; N128-V130 VanDerWaalsContact C-N 3.25Å; N128-V130 PolarHBondContact O-N 2.74Å; N128-V130 WeakPolarHBondContact OD1-CB 3.42Å; N128-V130 PolarHBondContact OD1-N 3.37Å
129	G	93.4	Very high	93.8	Very high	39 Å²	39	76 Å²	76	40%	0.402	41%	0.41	S	S	.	.	S	Bend	trans	79.9	-2.1	179.7	0	0	0	0	0	115.1	K125 M126 S127	K125-G129 VanDerWaalsContact CD-O 3.27Å; K125-G129 WeakPolarHBondContact CD-O 3.43Å; M126-G129 PolarHBondContact O-N 3.41Å; S127-G129 PolarHBondContact O-N 2.85Å
130	V	94.6	Very high	93.8	Very high	83 Å²	83	69.7 Å²	69.7	50%	0.503	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-89.8	150.6	178.8	-172.7	0	0	0	0	109.9	M126 N128	M126-V130 HydrophobicContact CE-CB 4.04Å; M126-V130 HydrophobicContact CE-CG1 4.39Å; M126-V130 PolarHBondContact N-O 3.32Å; N128-V130 VanDerWaalsContact C-N 3.25Å; N128-V130 PolarHBondContact O-N 2.74Å; N128-V130 WeakPolarHBondContact OD1-CB 3.42Å; N128-V130 PolarHBondContact OD1-N 3.37Å
131	R	92.8	Very high	93.8	Very high	115 Å²	115	75.2 Å²	75.2	43%	0.434	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-73.5	142.1	171.9	-75.2	-171.8	169.4	160	-2.4	110.4	K125 T133	K125-R131 HydrophobicContact CG-CG 4.44Å; R131-T133 PolarHBondContact O-N 2.97Å
132	R	94.2	Very high	93.8	Very high	6 Å²	6	77.7 Å²	77.7	2%	0.023	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-63	126	174	-172.5	-170.6	-179.6	95.9	-6.1	109.9	M126 P134 Q359 I361 S362 D387	M126-R132 HydrophobicContact CG-CB 4.28Å; M126-R132 HydrophobicContact SD-CB 4.3Å; M126-R132 HydrophobicContact SD-CG 4.49Å; R132-P134 WeakPolarHBondContact O-CD 3.33Å; R132-Q359 PolarHBondContact NH1-O 2.94Å; R132-I361 VanDerWaalsContact CZ-O 3.23Å; R132-I361 VanDerWaalsContact NH1-C 3.34Å; R132-I361 PolarHBondContact NH1-O 2.93Å; R132-I361 PolarHBondContact NH2-O 2.94Å; R132-S362 VanDerWaalsContact CZ-CB 3.48Å; R132-S362 VanDerWaalsContact NH1-CB 3.29Å; R132-D387 IonicContact CZ-OD1 3.28Å; R132-D387 IonicContact NE-OD1 2.8Å; R132-D387 PolarHBondContact NE-OD1 3.45Å; R132-D387 IonicContact NH2-OD1 3.93Å; R132-D387 PolarHBondContact NH2-OD1 3.48Å
133	T	92.5	Very high	93.9	Very high	111 Å²	111	75 Å²	75	68%	0.681	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-76.9	119.4	170.7	-55.4	0	0	0	0	108.8	R131	R131-T133 PolarHBondContact O-N 2.97Å
134	P	91.6	Very high	94	Very high	96 Å²	96	71.4 Å²	71.4	62%	0.623	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-69.2	147.4	179.1	29.3	-34.6	0	0	0	110.7	R132 D387	R132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-D387 WeakPolarHBondContact CA-OD2 3.41Å
135	V	91	Very high	94.2	Very high	30 Å²	30	71 Å²	71	18%	0.182	39%	0.39	C	S	.	.			trans	-107.1	136.2	174.1	-69.9	0	0	0	0	110.8	L364 G386 D387	V135-L364 HydrophobicContact CB-CD2 4.16Å; V135-L364 HydrophobicContact CB-CG 4.06Å; V135-L364 HydrophobicContact CG1-CG 4.13Å; V135-L364 HydrophobicContact CG2-CD2 4.14Å; V135-L364 HydrophobicContact CG2-CG 4.43Å; V135-G386 VanDerWaalsContact CG2-CA 3.47Å; V135-D387 HydrophobicContact CG2-CB 4.36Å; V135-D387 PolarHBondContact N-OD2 3.2Å
136	S	89.3	Confident	94.3	Very high	46 Å²	46	72 Å²	72	32%	0.322	40%	0.396	S	S	.	.			trans	-78.1	129.3	-178.3	175.9	0	0	0	0	111	E138 Q139 A140	S136-E138 PolarHBondContact O-N 3.16Å; S136-E138 VanDerWaalsContact O-N 3.16Å; S136-E138 WeakPolarHBondContact OG-CB 3.39Å; S136-E138 PolarHBondContact OG-N 2.98Å; S136-Q139 WeakPolarHBondContact O-CB 3.37Å; S136-Q139 PolarHBondContact O-N 2.97Å; S136-A140 PolarHBondContact O-N 3.31Å
137	A	92.3	Very high	94.4	Very high	23 Å²	23	72.2 Å²	72.2	19%	0.19	40%	0.397	C	S	.	.	H	α-helix	trans	-57.8	-26.5	171.6	0	0	0	0	0	112.5	A140 R141	A137-A140 PolarHBondContact O-N 3.35Å; A137-R141 VanDerWaalsContact O-CB 3.29Å; A137-R141 WeakPolarHBondContact O-CB 3.45Å; A137-R141 PolarHBondContact O-N 3.41Å
138	E	94.4	Very high	94.5	Very high	152 Å²	152	75.5 Å²	75.5	71%	0.71	39%	0.394	S	S	*	.	H	α-helix	trans	-68.4	-34.7	177	-63.9	178.1	169.4	0	0	112.2	S136 R141 A142	S136-E138 PolarHBondContact O-N 3.16Å; S136-E138 VanDerWaalsContact O-N 3.16Å; S136-E138 WeakPolarHBondContact OG-CB 3.39Å; S136-E138 PolarHBondContact OG-N 2.98Å; E138-R141 PolarHBondContact O-N 2.9Å; E138-A142 PolarHBondContact O-N 3.41Å
139	Q	93.7	Very high	94.6	Very high	117 Å²	117	72.4 Å²	72.4	55%	0.547	38%	0.38	S	S	.	.	H	α-helix	trans	-66.1	-43.1	175.5	-67.9	173.2	-3.4	0	0	110.8	S136 L364	S136-Q139 WeakPolarHBondContact O-CB 3.37Å; S136-Q139 PolarHBondContact O-N 2.97Å; Q139-L364 HydrophobicContact CB-CD1 3.97Å
140	A	96.1	Very high	94.8	Very high	0 Å²	0	73 Å²	73	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-44.9	172.6	0	0	0	0	0	111.1	S136 A137 A142 Y143 N144 A329 L364	S136-A140 PolarHBondContact O-N 3.31Å; A137-A140 PolarHBondContact O-N 3.35Å; A140-A142 PolarHBondContact O-N 2.93Å; A140-Y143 PolarHBondContact O-N 3.25Å; A140-N144 WeakPolarHBondContact O-CB 3.29Å; A140-N144 VanDerWaalsContact O-CG 3.24Å; A140-N144 PolarHBondContact O-N 3.4Å; A140-N144 PolarHBondContact O-ND2 2.81Å; A140-A329 HydrophobicContact CB-CB 4.17Å; A140-L364 HydrophobicContact CB-CD2 3.96Å
141	R	97.8	Very high	94.9	Very high	127 Å²	127	73.7 Å²	73.7	48%	0.479	39%	0.385	S	S	.	.	H	α-helix	trans	-59.6	-41.7	-179.7	-175	-179.7	-177.4	129.1	-2.8	113.2	A137 E138 Y143 N144 C145 A329	A137-R141 VanDerWaalsContact O-CB 3.29Å; A137-R141 WeakPolarHBondContact O-CB 3.45Å; A137-R141 PolarHBondContact O-N 3.41Å; E138-R141 PolarHBondContact O-N 2.9Å; R141-Y143 PolarHBondContact O-N 3.08Å; R141-N144 PolarHBondContact O-N 2.88Å; R141-C145 WeakPolarHBondContact O-CB 3.41Å; R141-C145 PolarHBondContact O-N 3.33Å; R141-A329 WeakPolarHBondContact CA-O 3.44Å; R141-A329 PolarHBondContact N-O 2.73Å
142	A	96.4	Very high	95	Very high	61 Å²	61	71.7 Å²	71.7	50%	0.504	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-36.2	178.9	0	0	0	0	0	112.3	E138 A140 Q146	E138-A142 PolarHBondContact O-N 3.41Å; A140-A142 PolarHBondContact O-N 2.93Å; A142-Q146 WeakPolarHBondContact O-CG 3.43Å; A142-Q146 PolarHBondContact O-NE2 2.93Å
143	Y	96.6	Very high	95	Very high	73 Å²	73	74 Å²	74	29%	0.286	40%	0.396	S	S	.	.	H	α-helix	trans	-80.4	-54.3	173.5	176.5	-98.4	0	0	0	111.9	A140 R141 C145 Q146 I147 R384	A140-Y143 PolarHBondContact O-N 3.25Å; R141-Y143 PolarHBondContact O-N 3.08Å; Y143-C145 VanDerWaalsContact C-N 3.31Å; Y143-C145 PolarHBondContact O-N 3.34Å; Y143-Q146 WeakPolarHBondContact O-CB 3.5Å; Y143-Q146 PolarHBondContact O-N 2.96Å; Y143-I147 HydrophobicContact CD1-CD1 4.4Å; Y143-I147 HydrophobicContact CD1-CG1 4.41Å; Y143-I147 HydrophobicContact CE1-CD1 3.78Å; Y143-I147 HydrophobicContact CE1-CG1 4.1Å; Y143-I147 HydrophobicContact CE2-CD1 4.26Å; Y143-R384 HydrophobicContact CD1-CB 3.68Å; Y143-R384 HydrophobicContact CE1-CB 4.08Å
144	N	97.8	Very high	94.9	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-60.8	-35.4	-171.4	-70.1	-24.2	0	0	0	113.5	A140 R141 Q146 I147 A329 G330 R384	A140-N144 WeakPolarHBondContact O-CB 3.29Å; A140-N144 VanDerWaalsContact O-CG 3.24Å; A140-N144 PolarHBondContact O-N 3.4Å; A140-N144 PolarHBondContact O-ND2 2.81Å; R141-N144 PolarHBondContact O-N 2.88Å; N144-Q146 PolarHBondContact O-N 3.46Å; N144-I147 WeakPolarHBondContact O-CB 3.36Å; N144-I147 PolarHBondContact O-N 2.98Å; N144-A329 WeakPolarHBondContact CB-O 3.18Å; N144-A329 PolarHBondContact ND2-O 3.39Å; N144-G330 VanDerWaalsContact CB-O 3.23Å; N144-G330 WeakPolarHBondContact CB-O 3.42Å; N144-R384 PolarHBondContact ND2-O 2.75Å; N144-R384 PolarHBondContact OD1-N 2.87Å
145	C	96.3	Very high	94.9	Very high	43 Å²	43	72.7 Å²	72.7	29%	0.291	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.4	178.7	-76.9	0	0	0	0	113.9	R141 Y143 R148 R334	R141-C145 WeakPolarHBondContact O-CB 3.41Å; R141-C145 PolarHBondContact O-N 3.33Å; Y143-C145 VanDerWaalsContact C-N 3.31Å; Y143-C145 PolarHBondContact O-N 3.34Å; C145-R148 PolarHBondContact O-NH1 3.37Å; C145-R334 PolarHBondContact O-NH2 2.91Å
146	Q	96.4	Very high	94.9	Very high	149 Å²	149	71.4 Å²	71.4	70%	0.696	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-19.3	176.4	-57.7	-179.3	24.8	0	0	112.3	A142 Y143 N144 R148	A142-Q146 WeakPolarHBondContact O-CG 3.43Å; A142-Q146 PolarHBondContact O-NE2 2.93Å; Y143-Q146 WeakPolarHBondContact O-CB 3.5Å; Y143-Q146 PolarHBondContact O-N 2.96Å; N144-Q146 PolarHBondContact O-N 3.46Å; Q146-R148 PolarHBondContact O-NH1 3.17Å
147	I	96.8	Very high	94.9	Very high	30 Å²	30	78.1 Å²	78.1	15%	0.154	40%	0.404	C	S	.	.			trans	-62	140.3	-178.2	-59.7	-58.2	0	0	0	111.1	Y143 N144 P332 Q382	Y143-I147 HydrophobicContact CD1-CD1 4.4Å; Y143-I147 HydrophobicContact CD1-CG1 4.41Å; Y143-I147 HydrophobicContact CE1-CD1 3.78Å; Y143-I147 HydrophobicContact CE1-CG1 4.1Å; Y143-I147 HydrophobicContact CE2-CD1 4.26Å; N144-I147 WeakPolarHBondContact O-CB 3.36Å; N144-I147 PolarHBondContact O-N 2.98Å; I147-P332 HydrophobicContact CB-CB 4.18Å; I147-P332 HydrophobicContact CG2-CB 4.24Å; I147-Q382 HydrophobicContact CD1-CB 4.29Å; I147-Q382 HydrophobicContact CG2-CB 4.38Å; I147-Q382 WeakPolarHBondContact CG2-O 3.31Å
148	R	96.1	Very high	94.9	Very high	173 Å²	173	78.7 Å²	78.7	65%	0.653	41%	0.405	S	S	*	.			trans	-122	140.5	166	-64	-64	-179	-81.2	-5.4	108	C145 Q146	C145-R148 PolarHBondContact O-NH1 3.37Å; Q146-R148 PolarHBondContact O-NH1 3.17Å
149	P	97	Very high	94.9	Very high	46 Å²	46	79.6 Å²	79.6	30%	0.299	41%	0.407	S	S	.	.			trans	-65	141.5	177.9	24.5	-31	0	0	0	111.3	L379 L380 Y381	P149-L379 HydrophobicContact CB-CB 3.92Å; P149-L379 HydrophobicContact CB-CD1 4.26Å; P149-L379 HydrophobicContact CB-CD2 4.26Å; P149-L379 HydrophobicContact CB-CG 4.38Å; P149-L379 HydrophobicContact CG-CD1 4.2Å; P149-L380 CarbonylContact C-O 3.38Å; P149-L380 VanDerWaalsContact CA-O 3.23Å; P149-L380 WeakPolarHBondContact CA-O 3.45Å; P149-Y381 HydrophobicContact CB-CD1 3.87Å; P149-Y381 HydrophobicContact CB-CD2 4.16Å; P149-Y381 HydrophobicContact CB-CE1 3.55Å; P149-Y381 HydrophobicContact CB-CE2 3.84Å; P149-Y381 HydrophobicContact CB-CG 4.17Å; P149-Y381 HydrophobicContact CG-CD1 4.4Å; P149-Y381 HydrophobicContact CG-CE1 3.68Å; P149-Y381 HydrophobicContact CG-CE2 4.47Å
150	A	96.9	Very high	95.1	Very high	53 Å²	53	76.6 Å²	76.6	44%	0.438	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	136.7	164.9	0	0	0	0	0	109.5	L152 L379 L380	A150-L152 PolarHBondContact O-N 2.84Å; A150-L379 CarbonylContact O-C 3.5Å; A150-L379 WeakPolarHBondContact O-CA 3.43Å; A150-L380 HydrophobicContact CB-CB 4.43Å; A150-L380 PolarHBondContact N-O 3.1Å; A150-L380 PolarHBondContact O-N 3.11Å
151	V	97.1	Very high	95.2	Very high	96 Å²	96	77.7 Å²	77.7	58%	0.582	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.6	173.2	-178.6	0	0	0	0	108	P377 L379	V151-P377 HydrophobicContact CG1-CB 4.11Å; V151-L379 HydrophobicContact CB-CD2 4.45Å; V151-L379 HydrophobicContact CG2-CD2 3.81Å
152	L	95.5	Very high	95.1	Very high	74 Å²	74	76.5 Å²	76.5	39%	0.387	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-48.3	176	-65.8	-178.6	0	0	0	111.4	A150 Q370 A378 L380	A150-L152 PolarHBondContact O-N 2.84Å; L152-Q370 HydrophobicContact CD1-CG 3.99Å; L152-A378 HydrophobicContact CB-CB 4.23Å; L152-A378 PolarHBondContact N-O 2.59Å; L152-L380 HydrophobicContact CD1-CB 3.91Å; L152-L380 HydrophobicContact CD2-CB 3.94Å; L152-L380 HydrophobicContact CD2-CD2 4.14Å; L152-L380 HydrophobicContact CG-CB 3.79Å
153	D	92.6	Very high	95.1	Very high	55 Å²	55	74.7 Å²	74.7	29%	0.294	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.9	178.1	-68.9	-69.1	0	0	0	108.8	S155 R372 P377 A378	D153-S155 VanDerWaalsContact CB-O 3.3Å; D153-S155 WeakPolarHBondContact CB-O 3.25Å; D153-S155 PolarHBondContact O-N 3.4Å; D153-R372 IonicContact OD2-NH1 3.18Å; D153-P377 WeakPolarHBondContact O-CA 3.45Å; D153-P377 WeakPolarHBondContact O-CB 3.28Å; D153-A378 HydrophobicContact CB-CB 3.92Å; D153-A378 PolarHBondContact O-N 3.41Å
154	S	90.9	Very high	95.1	Very high	118 Å²	118	75.4 Å²	75.4	83%	0.825	40%	0.399	S	S	*	.	S	Bend	trans	-64.5	-20.5	173.8	56.5	0	0	0	0	113.2
155	S	91.6	Very high	95	Very high	60 Å²	60	81.4 Å²	81.4	42%	0.42	43%	0.427	S	S	.	.			trans	-132.5	134.2	174.2	178.2	0	0	0	0	110.3	D153 R157	D153-S155 VanDerWaalsContact CB-O 3.3Å; D153-S155 WeakPolarHBondContact CB-O 3.25Å; D153-S155 PolarHBondContact O-N 3.4Å; S155-R157 PolarHBondContact O-N 2.74Å; S155-R157 VanDerWaalsContact O-N 3.17Å; S155-R157 PolarHBondContact OG-N 3Å
156	S	90.3	Very high	94.9	Very high	3 Å²	3	84.9 Å²	84.9	2%	0.021	44%	0.438	C	S	.	.			trans	-63.3	-16.3	173.5	68.7	0	0	0	0	114.1	V158 F373 A376	S156-V158 PolarHBondContact O-N 3.36Å; S156-V158 VanDerWaalsContact O-N 3.08Å; S156-V158 PolarHBondContact OG-N 3.02Å; S156-F373 WeakPolarHBondContact CB-O 3.47Å; S156-F373 PolarHBondContact OG-O 3.09Å; S156-A376 VanDerWaalsContact CB-O 3.3Å; S156-A376 WeakPolarHBondContact CB-O 3.43Å; S156-A376 PolarHBondContact N-O 3.21Å; S156-A376 PolarHBondContact OG-O 2.84Å
157	R	90.5	Very high	94.9	Very high	188 Å²	188	78.6 Å²	78.6	71%	0.709	41%	0.411	S	S	*	.			trans	63.6	-5.6	-168.9	-49.4	-179.5	-172.2	-163.2	1.7	114.7	S155	S155-R157 PolarHBondContact O-N 2.74Å; S155-R157 VanDerWaalsContact O-N 3.17Å; S155-R157 PolarHBondContact OG-N 3Å
158	V	92	Very high	94.9	Very high	35 Å²	35	83.4 Å²	83.4	21%	0.212	44%	0.436	C	S	.	.			trans	-77.3	139.3	172	-172.1	0	0	0	0	107.8	S156 Y177 R372 P374	S156-V158 PolarHBondContact O-N 3.36Å; S156-V158 VanDerWaalsContact O-N 3.08Å; S156-V158 PolarHBondContact OG-N 3.02Å; V158-Y177 HydrophobicContact CG1-CD1 4.01Å; V158-Y177 HydrophobicContact CG1-CE1 3.45Å; V158-Y177 VanDerWaalsContact CG1-CE1 3.45Å; V158-R372 HydrophobicContact CG2-CB 3.99Å; V158-R372 WeakPolarHBondContact CG2-O 3.47Å; V158-P374 HydrophobicContact CG1-CG 3.94Å; V158-P374 WeakPolarHBondContact O-CA 3.1Å
159	K	94.6	Very high	95	Very high	171 Å²	171	79.3 Å²	79.3	74%	0.743	42%	0.422	S	S	*	.			trans	-127.7	150.8	-178.9	-63.5	-176.5	-178.9	-179	0	109.6
160	W	97.4	Very high	95.1	Very high	53 Å²	53	77.5 Å²	77.5	20%	0.201	41%	0.409	C	S	.	.			trans	-61.9	149.8	165.5	-60.5	117	0	0	0	110	N162 Y177 N179 P180 L342 P374 E375	W160-N162 PolarHBondContact O-N 3.25Å; W160-Y177 WeakPolarHBondContact CA-O 3.46Å; W160-N179 HydrophobicContact CB-CB 4.2Å; W160-N179 HydrophobicContact CD2-CB 3.88Å; W160-N179 HydrophobicContact CE3-CB 4.26Å; W160-N179 HydrophobicContact CG-CB 3.85Å; W160-N179 PolarHBondContact NE1-ND2 2.82Å; W160-P180 HydrophobicContact CH2-CG 4.28Å; W160-L342 HydrophobicContact CH2-CD1 3.54Å; W160-L342 HydrophobicContact CH2-CG 4.5Å; W160-L342 HydrophobicContact CZ3-CD1 3.79Å; W160-L342 HydrophobicContact CZ3-CG 4.46Å; W160-P374 HydrophobicContact CD2-CB 3.56Å; W160-P374 HydrophobicContact CD2-CG 3.73Å; W160-P374 VanDerWaalsContact CE2-CB 3.45Å; W160-P374 HydrophobicContact CE3-CB 4.09Å; W160-P374 HydrophobicContact CE3-CG 3.7Å; W160-P374 HydrophobicContact CG-CB 3.84Å; W160-P374 HydrophobicContact CG-CG 4.36Å; W160-P374 HydrophobicContact CH2-CB 4.41Å; W160-P374 HydrophobicContact CH2-CG 4.04Å; W160-P374 HydrophobicContact CZ2-CB 3.91Å; W160-P374 HydrophobicContact CZ2-CG 4.05Å; W160-P374 HydrophobicContact CZ3-CB 4.5Å; W160-P374 HydrophobicContact CZ3-CG 3.87Å; W160-E375 PolarHBondContact NE1-OE2 3.33Å
161	T	97.6	Very high	95.2	Very high	24 Å²	24	75.1 Å²	75.1	15%	0.147	39%	0.389	C	S	.	.			trans	-58	130	170.6	-58.9	0	0	0	0	109.3	T163 L170 E174 Y177	T161-T163 PolarHBondContact O-N 3.13Å; T161-T163 VanDerWaalsContact O-N 3.13Å; T161-L170 HydrophobicContact CG2-CD1 3.82Å; T161-L170 HydrophobicContact CG2-CD2 3.89Å; T161-L170 HydrophobicContact CG2-CG 4.46Å; T161-E174 WeakPolarHBondContact CB-O 3.42Å; T161-E174 HydrophobicContact CG2-CB 4Å; T161-E174 HydrophobicContact CG2-CG 4.42Å; T161-E174 WeakPolarHBondContact OG1-CA 3.42Å; T161-E174 PolarHBondContact OG1-O 3.02Å; T161-Y177 PolarHBondContact N-O 3.21Å; T161-Y177 WeakPolarHBondContact OG1-CB 3.44Å; T161-Y177 PolarHBondContact OG1-O 2.83Å
162	N	96.8	Very high	95.2	Very high	102 Å²	102	70.6 Å²	70.6	55%	0.545	36%	0.362	S	S	.	.			trans	-72.5	107.7	-179.8	-179	3.4	0	0	0	110.9	W160 S164 H165	W160-N162 PolarHBondContact O-N 3.25Å; N162-S164 VanDerWaalsContact OD1-CB 3.23Å; N162-S164 WeakPolarHBondContact OD1-CB 3.45Å; N162-S164 PolarHBondContact OD1-N 2.87Å; N162-S164 PolarHBondContact OD1-OG 3.11Å; N162-H165 PolarHBondContact O-CE1 3.13Å; N162-H165 PolarHBondContact O-ND1 2.98Å
163	T	96.8	Very high	95.2	Very high	22 Å²	22	71.6 Å²	71.6	14%	0.135	37%	0.365	C	S	.	.			trans	-100.1	6.4	179.8	52.4	0	0	0	0	113.6	T161 H165 H166 L170 D182 Y184	T161-T163 PolarHBondContact O-N 3.13Å; T161-T163 VanDerWaalsContact O-N 3.13Å; T163-H165 PolarHBondContact O-N 2.86Å; T163-H165 VanDerWaalsContact O-N 3.13Å; T163-H166 WeakPolarHBondContact O-CA 3.45Å; T163-H166 PolarHBondContact O-N 2.92Å; T163-L170 HydrophobicContact CG2-CD1 3.92Å; T163-D182 WeakPolarHBondContact CB-OD2 3.41Å; T163-D182 VanDerWaalsContact CG2-OD2 3.27Å; T163-D182 WeakPolarHBondContact CG2-OD2 3.25Å; T163-D182 PolarHBondContact OG1-OD2 3.46Å; T163-Y184 HydrophobicContact CG2-CD2 4.39Å; T163-Y184 HydrophobicContact CG2-CE2 3.73Å
164	S	96	Very high	95.5	Very high	89 Å²	89	72.2 Å²	72.2	62%	0.622	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.8	-174.5	-49.4	0	0	0	0	114.1	N162 H166	N162-S164 VanDerWaalsContact OD1-CB 3.23Å; N162-S164 WeakPolarHBondContact OD1-CB 3.45Å; N162-S164 PolarHBondContact OD1-N 2.87Å; N162-S164 PolarHBondContact OD1-OG 3.11Å; S164-H166 PolarHBondContact O-CE1 3.28Å; S164-H166 PolarHBondContact O-N 3.47Å; S164-H166 PolarHBondContact O-ND1 3.36Å; S164-H166 VanDerWaalsContact O-ND1 3.11Å
165	H	95.4	Very high	95.8	Very high	126 Å²	126	66.6 Å²	66.6	58%	0.583	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	8.4	176.1	63.4	-81.5	0	0	0	112.7	N162 T163 P167	N162-H165 PolarHBondContact O-CE1 3.13Å; N162-H165 PolarHBondContact O-ND1 2.98Å; T163-H165 PolarHBondContact O-N 2.86Å; T163-H165 VanDerWaalsContact O-N 3.13Å; H165-P167 WeakPolarHBondContact NE2-CG 3.4Å
166	H	94.5	Very high	96	Very high	115 Å²	115	63.9 Å²	63.9	53%	0.532	31%	0.308	S	S	.	.			trans	53.4	50.7	175.4	-50.1	94	0	0	0	114.5	R82 T163 S164 N168	R82-H166 PolarHBondContact NH2-CD2 3.03Å; T163-H166 WeakPolarHBondContact O-CA 3.45Å; T163-H166 PolarHBondContact O-N 2.92Å; S164-H166 PolarHBondContact O-CE1 3.28Å; S164-H166 PolarHBondContact O-N 3.47Å; S164-H166 PolarHBondContact O-ND1 3.36Å; S164-H166 VanDerWaalsContact O-ND1 3.11Å; H166-N168 PolarHBondContact O-N 3.29Å
167	P	97.1	Very high	96.3	Very high	18 Å²	18	66.7 Å²	66.7	12%	0.117	32%	0.318	C	S	.	.			trans	-59.8	136.8	-179	24.3	-31.6	0	0	0	111	H165 Y169 L170 Y184	H165-P167 WeakPolarHBondContact NE2-CG 3.4Å; P167-Y169 PolarHBondContact O-N 3.49Å; P167-L170 HydrophobicContact CB-CD2 4.3Å; P167-L170 HydrophobicContact CG-CD1 4.29Å; P167-L170 HydrophobicContact CG-CD2 3.88Å; P167-L170 HydrophobicContact CG-CG 4.04Å; P167-Y184 WeakPolarHBondContact CD-OH 3.39Å; P167-Y184 WeakPolarHBondContact CG-OH 3.3Å; P167-Y184 VanDerWaalsContact O-CE1 3.25Å; P167-Y184 WeakPolarHBondContact O-CE1 3.38Å; P167-Y184 PolarHBondContact O-OH 2.98Å
168	N	96.8	Very high	96.7	Very high	130 Å²	130	57.8 Å²	57.8	70%	0.695	29%	0.285	S	S	*	.	S	Bend	trans	-61.7	-31.2	179	-72.8	-33.1	0	0	0	112.3	R82 H166	R82-N168 PolarHBondContact N-O 3.18Å; H166-N168 PolarHBondContact O-N 3.29Å
169	Y	98	Very high	96.9	Very high	88 Å²	88	57.5 Å²	57.5	35%	0.345	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	159.9	176.4	62.5	-93.4	0	0	0	111.3	I79 A80 P167 V171 T214 Y218	I79-Y169 HydrophobicContact CD1-CG 4.5Å; A80-Y169 CarbonylContact O-C 3.57Å; A80-Y169 WeakPolarHBondContact O-CA 3.4Å; A80-Y169 WeakPolarHBondContact O-CB 3.47Å; P167-Y169 PolarHBondContact O-N 3.49Å; Y169-V171 HydrophobicContact CD2-CG2 3.97Å; Y169-V171 HydrophobicContact CE2-CG2 4.28Å; Y169-T214 HydrophobicContact CD1-CG2 3.86Å; Y169-T214 HydrophobicContact CD2-CG2 3.7Å; Y169-T214 HydrophobicContact CE1-CG2 3.79Å; Y169-T214 HydrophobicContact CE2-CG2 3.63Å; Y169-T214 HydrophobicContact CG-CG2 3.81Å; Y169-Y218 HydrophobicContact CE2-CD2 4.47Å
170	L	98.5	Very high	96.8	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.4	169.6	-64.8	159.8	0	0	0	108.1	I79 A80 T161 T163 P167 E174 A175 V178 Y184	I79-L170 CarbonylContact C-O 3.58Å; I79-L170 WeakPolarHBondContact CA-O 3.41Å; I79-L170 WeakPolarHBondContact CG1-O 3.49Å; A80-L170 HydrophobicContact CB-CB 4.24Å; A80-L170 PolarHBondContact N-O 3.39Å; A80-L170 PolarHBondContact O-N 3.14Å; T161-L170 HydrophobicContact CG2-CD1 3.82Å; T161-L170 HydrophobicContact CG2-CD2 3.89Å; T161-L170 HydrophobicContact CG2-CG 4.46Å; T163-L170 HydrophobicContact CG2-CD1 3.92Å; P167-L170 HydrophobicContact CB-CD2 4.3Å; P167-L170 HydrophobicContact CG-CD1 4.29Å; P167-L170 HydrophobicContact CG-CD2 3.88Å; P167-L170 HydrophobicContact CG-CG 4.04Å; L170-E174 HydrophobicContact CB-CB 4.28Å; L170-E174 HydrophobicContact CD2-CB 4.25Å; L170-A175 HydrophobicContact CB-CB 4.38Å; L170-V178 HydrophobicContact CD1-CG2 3.35Å; L170-Y184 HydrophobicContact CD1-CE1 4.29Å
171	V	98.4	Very high	96.6	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.7	-172.8	167.9	0	0	0	0	111	I75 I79 Y169 E174 L215 Y218	I75-V171 HydrophobicContact CD1-CG1 3.91Å; I79-V171 HydrophobicContact CD1-CG2 4.32Å; I79-V171 HydrophobicContact CG1-CG2 4.14Å; Y169-V171 HydrophobicContact CD2-CG2 3.97Å; Y169-V171 HydrophobicContact CE2-CG2 4.28Å; V171-E174 PolarHBondContact O-N 3.31Å; V171-L215 HydrophobicContact CG1-CD1 4.29Å; V171-L215 HydrophobicContact CG1-CG 3.73Å; V171-L215 HydrophobicContact CG2-CG 4.5Å; V171-Y218 HydrophobicContact CB-CD1 3.61Å; V171-Y218 HydrophobicContact CB-CE1 3.7Å; V171-Y218 HydrophobicContact CB-CG 4.02Å; V171-Y218 HydrophobicContact CG1-CD1 3.39Å; V171-Y218 HydrophobicContact CG1-CE1 3.67Å; V171-Y218 HydrophobicContact CG1-CG 4.16Å; V171-Y218 HydrophobicContact CG2-CD1 4.18Å; V171-Y218 HydrophobicContact CG2-CG 4.13Å
172	G	97.6	Very high	96.4	Very high	2 Å²	2	55.7 Å²	55.7	2%	0.021	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-131.3	170.7	0	0	0	0	0	112.3	P76 V78 E174 A175 L176	P76-G172 WeakPolarHBondContact O-CA 3.18Å; V78-G172 WeakPolarHBondContact CG1-O 3.25Å; V78-G172 PolarHBondContact O-N 3.14Å; G172-E174 VanDerWaalsContact C-N 3.28Å; G172-E174 PolarHBondContact O-N 3.48Å; G172-A175 WeakPolarHBondContact O-CB 3.46Å; G172-A175 PolarHBondContact O-N 3.42Å; G172-A175 VanDerWaalsContact O-N 3.08Å; G172-L176 PolarHBondContact O-N 2.69Å; G172-L176 VanDerWaalsContact O-N 3.13Å
173	E	96.5	Very high	96.3	Very high	95 Å²	95	53.2 Å²	53.2	44%	0.444	29%	0.286	S	S	.	.	H	α-helix	trans	-58.4	-40.1	179.1	-70.2	-62.9	165.9	0	0	112.1	P76 A175 L176 Y177	P76-E173 HydrophobicContact CG-CG 4.03Å; P76-E173 VanDerWaalsContact CG-OE1 3.3Å; P76-E173 WeakPolarHBondContact CG-OE1 3.48Å; E173-A175 PolarHBondContact O-N 3.14Å; E173-L176 WeakPolarHBondContact O-CB 3.25Å; E173-L176 PolarHBondContact O-N 3.37Å; E173-Y177 WeakPolarHBondContact O-CD2 3.44Å; E173-Y177 PolarHBondContact O-N 2.61Å
174	E	97.4	Very high	96.3	Very high	68 Å²	68	52.4 Å²	52.4	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-34.2	177.7	-69.3	177.6	-164	0	0	112	T161 L170 V171 G172 V178 K222	T161-E174 WeakPolarHBondContact CB-O 3.42Å; T161-E174 HydrophobicContact CG2-CB 4Å; T161-E174 HydrophobicContact CG2-CG 4.42Å; T161-E174 WeakPolarHBondContact OG1-CA 3.42Å; T161-E174 PolarHBondContact OG1-O 3.02Å; L170-E174 HydrophobicContact CB-CB 4.28Å; L170-E174 HydrophobicContact CD2-CB 4.25Å; V171-E174 PolarHBondContact O-N 3.31Å; G172-E174 VanDerWaalsContact C-N 3.28Å; G172-E174 PolarHBondContact O-N 3.48Å; E174-V178 WeakPolarHBondContact O-CG2 3.32Å; E174-V178 PolarHBondContact O-N 3.38Å; E174-K222 IonicContact OE1-NZ 3.91Å; E174-K222 PolarHBondContact OE1-NZ 3.02Å
175	A	97.8	Very high	96.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.8	-35.9	174.7	0	0	0	0	0	112.7	V78 A80 L170 G172 E173 Y177 V178 L186 R341	V78-A175 HydrophobicContact CG1-CB 4.08Å; A80-A175 HydrophobicContact CB-CB 3.87Å; L170-A175 HydrophobicContact CB-CB 4.38Å; G172-A175 WeakPolarHBondContact O-CB 3.46Å; G172-A175 PolarHBondContact O-N 3.42Å; G172-A175 VanDerWaalsContact O-N 3.08Å; E173-A175 PolarHBondContact O-N 3.14Å; A175-Y177 VanDerWaalsContact C-N 3.29Å; A175-Y177 PolarHBondContact O-N 3.13Å; A175-V178 PolarHBondContact O-N 2.75Å; A175-L186 HydrophobicContact CB-CD1 4.14Å; A175-L186 WeakPolarHBondContact O-CD1 3.41Å; A175-R341 PolarHBondContact O-NH1 3.44Å
176	L	96.4	Very high	96.5	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-64.6	-35.3	176	-68.2	-177.6	0	0	0	112.3	P76 V78 W95 G172 E173 W188 R341	P76-L176 HydrophobicContact CB-CD1 3.75Å; P76-L176 HydrophobicContact CB-CG 4.28Å; P76-L176 HydrophobicContact CG-CD1 3.65Å; V78-L176 HydrophobicContact CG1-CD2 3.84Å; V78-L176 HydrophobicContact CG1-CG 3.93Å; W95-L176 HydrophobicContact CZ3-CD2 4.37Å; G172-L176 PolarHBondContact O-N 2.69Å; G172-L176 VanDerWaalsContact O-N 3.13Å; E173-L176 WeakPolarHBondContact O-CB 3.25Å; E173-L176 PolarHBondContact O-N 3.37Å; L176-W188 HydrophobicContact CD2-CH2 3.89Å; L176-W188 HydrophobicContact CD2-CZ2 3.73Å; L176-R341 PolarHBondContact O-NH1 3.33Å; L176-R341 VanDerWaalsContact O-NH1 3.15Å
177	Y	97.1	Very high	96.7	Very high	61 Å²	61	37.8 Å²	37.8	24%	0.239	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	18.1	-179.9	-73.2	-88.6	0	0	0	114.2	V158 W160 T161 E173 A175 N179 L342 P374	V158-Y177 HydrophobicContact CG1-CD1 4.01Å; V158-Y177 HydrophobicContact CG1-CE1 3.45Å; V158-Y177 VanDerWaalsContact CG1-CE1 3.45Å; W160-Y177 WeakPolarHBondContact CA-O 3.46Å; T161-Y177 PolarHBondContact N-O 3.21Å; T161-Y177 WeakPolarHBondContact OG1-CB 3.44Å; T161-Y177 PolarHBondContact OG1-O 2.83Å; E173-Y177 WeakPolarHBondContact O-CD2 3.44Å; E173-Y177 PolarHBondContact O-N 2.61Å; A175-Y177 VanDerWaalsContact C-N 3.29Å; A175-Y177 PolarHBondContact O-N 3.13Å; Y177-N179 PolarHBondContact O-N 2.84Å; Y177-L342 HydrophobicContact CD1-CD2 4.06Å; Y177-L342 HydrophobicContact CE1-CD2 3.81Å; Y177-P374 HydrophobicContact CD1-CG 4.17Å
178	V	97.3	Very high	96.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-67.5	129.8	168.1	175.8	0	0	0	0	109.9	A80 L170 E174 A175 D182 Y184 R341	A80-V178 HydrophobicContact CB-CG2 3.96Å; L170-V178 HydrophobicContact CD1-CG2 3.35Å; E174-V178 WeakPolarHBondContact O-CG2 3.32Å; E174-V178 PolarHBondContact O-N 3.38Å; A175-V178 PolarHBondContact O-N 2.75Å; V178-D182 HydrophobicContact CG1-CB 4.03Å; V178-Y184 HydrophobicContact CG1-CD2 3.96Å; V178-Y184 HydrophobicContact CG1-CG 4.1Å; V178-R341 PolarHBondContact O-NH1 2.77Å; V178-R341 VanDerWaalsContact O-NH1 3.12Å; V178-R341 PolarHBondContact O-NH2 2.88Å
179	N	95.9	Very high	96.8	Very high	28 Å²	28	31 Å²	31	15%	0.15	17%	0.166	C	C	.	.			trans	-57.9	129.7	176.7	-172.3	-42.2	0	0	0	109.7	W160 Y177 S181 D182	W160-N179 HydrophobicContact CB-CB 4.2Å; W160-N179 HydrophobicContact CD2-CB 3.88Å; W160-N179 HydrophobicContact CE3-CB 4.26Å; W160-N179 HydrophobicContact CG-CB 3.85Å; W160-N179 PolarHBondContact NE1-ND2 2.82Å; Y177-N179 PolarHBondContact O-N 2.84Å; N179-S181 PolarHBondContact O-N 3.41Å; N179-S181 WeakPolarHBondContact OD1-CB 3.44Å; N179-S181 PolarHBondContact OD1-N 3.36Å; N179-S181 PolarHBondContact OD1-OG 3.45Å; N179-S181 VanDerWaalsContact OD1-OG 3.13Å; N179-D182 WeakPolarHBondContact O-CB 3.13Å; N179-D182 PolarHBondContact O-N 3.06Å
180	P	93.1	Very high	96.8	Very high	61 Å²	61	27.4 Å²	27.4	40%	0.396	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.8	177.7	-28.9	36.3	0	0	0	115.8	R90 W160	R90-P180 WeakPolarHBondContact CD-O 3.41Å; R90-P180 PolarHBondContact NH1-O 3.16Å; W160-P180 HydrophobicContact CH2-CG 4.28Å
181	S	92.6	Very high	96.7	Very high	107 Å²	107	27.8 Å²	27.8	75%	0.748	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.1	178.2	-47.4	0	0	0	0	113.3	N179	N179-S181 PolarHBondContact O-N 3.41Å; N179-S181 WeakPolarHBondContact OD1-CB 3.44Å; N179-S181 PolarHBondContact OD1-N 3.36Å; N179-S181 PolarHBondContact OD1-OG 3.45Å; N179-S181 VanDerWaalsContact OD1-OG 3.13Å
182	D	94.7	Very high	96.6	Very high	43 Å²	43	31.8 Å²	31.8	23%	0.23	17%	0.17	C	C	.	.	S	Bend	trans	-78.3	156.1	179.7	-68.5	-7.4	0	0	0	111.9	T163 V178 N179 Y184	T163-D182 WeakPolarHBondContact CB-OD2 3.41Å; T163-D182 VanDerWaalsContact CG2-OD2 3.27Å; T163-D182 WeakPolarHBondContact CG2-OD2 3.25Å; T163-D182 PolarHBondContact OG1-OD2 3.46Å; V178-D182 HydrophobicContact CG1-CB 4.03Å; N179-D182 WeakPolarHBondContact O-CB 3.13Å; N179-D182 PolarHBondContact O-N 3.06Å; D182-Y184 HydrophobicContact CB-CD2 3.86Å; D182-Y184 HydrophobicContact CB-CE2 4.33Å; D182-Y184 PolarHBondContact O-N 2.92Å
183	C	95.1	Very high	96.4	Very high	50 Å²	50	32.3 Å²	32.3	34%	0.338	18%	0.175	S	C	.	.	S	Bend	trans	-79.1	57.1	-176.7	58.2	0	0	0	0	113.7	R82 H83	R82-C183 CarbonylContact C-O 3.46Å; R82-C183 WeakPolarHBondContact CA-O 3.34Å; H83-C183 HydrophobicContact CB-CB 4.13Å; H83-C183 PolarHBondContact N-O 2.95Å
184	Y	97	Very high	96.4	Very high	5 Å²	5	30.8 Å²	30.8	2%	0.02	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.7	178.7	-70.4	-99.3	0	0	0	112.4	A80 R81 R82 R90 T163 P167 L170 V178 D182	A80-Y184 HydrophobicContact CB-CD1 4.04Å; A80-Y184 HydrophobicContact CB-CG 4.46Å; R81-Y184 CarbonylContact O-C 3.58Å; R81-Y184 WeakPolarHBondContact O-CA 3.49Å; R82-Y184 HydrophobicContact CB-CD1 4Å; R82-Y184 HydrophobicContact CB-CE1 3.53Å; R82-Y184 HydrophobicContact CG-CE1 3.98Å; R82-Y184 HydrophobicContact CG-CE2 4.17Å; R90-Y184 WeakPolarHBondContact CG-O 3.49Å; R90-Y184 PolarHBondContact NE-O 3.27Å; R90-Y184 VanDerWaalsContact NE-O 3.15Å; T163-Y184 HydrophobicContact CG2-CD2 4.39Å; T163-Y184 HydrophobicContact CG2-CE2 3.73Å; P167-Y184 WeakPolarHBondContact CD-OH 3.39Å; P167-Y184 WeakPolarHBondContact CG-OH 3.3Å; P167-Y184 VanDerWaalsContact O-CE1 3.25Å; P167-Y184 WeakPolarHBondContact O-CE1 3.38Å; P167-Y184 PolarHBondContact O-OH 2.98Å; L170-Y184 HydrophobicContact CD1-CE1 4.29Å; V178-Y184 HydrophobicContact CG1-CD2 3.96Å; V178-Y184 HydrophobicContact CG1-CG 4.1Å; D182-Y184 HydrophobicContact CB-CD2 3.86Å; D182-Y184 HydrophobicContact CB-CE2 4.33Å; D182-Y184 PolarHBondContact O-N 2.92Å
185	N	96.8	Very high	96.4	Very high	13 Å²	13	28.3 Å²	28.3	7%	0.07	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.4	163.5	-66.2	-18.9	0	0	0	109.7	A80 R81 H83 Y91 S201	A80-N185 CarbonylContact C-O 3.51Å; A80-N185 WeakPolarHBondContact CA-O 3.43Å; R81-N185 PolarHBondContact N-O 2.88Å; R81-N185 PolarHBondContact O-N 2.9Å; H83-N185 PolarHBondContact NE2-OD1 3.08Å; Y91-N185 PolarHBondContact N-OD1 3.17Å; Y91-N185 CarbonylContact O-C 3.47Å; Y91-N185 WeakPolarHBondContact O-CA 3.45Å; Y91-N185 WeakPolarHBondContact O-CB 3.27Å; N185-S201 PolarHBondContact ND2-OG 2.94Å
186	L	97.3	Very high	96.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.9	177.5	-168.2	90.5	0	0	0	109.7	V78 A80 Y91 E92 D93 A175 R341	V78-L186 HydrophobicContact CG2-CD1 3.64Å; V78-L186 HydrophobicContact CG2-CD2 3.92Å; V78-L186 HydrophobicContact CG2-CG 3.6Å; A80-L186 HydrophobicContact CB-CD1 4.12Å; Y91-L186 PolarHBondContact O-N 2.84Å; E92-L186 HydrophobicContact CB-CB 4.39Å; E92-L186 HydrophobicContact CG-CB 4.06Å; E92-L186 HydrophobicContact CG-CD2 3.96Å; D93-L186 PolarHBondContact N-O 2.9Å; A175-L186 HydrophobicContact CB-CD1 4.14Å; A175-L186 WeakPolarHBondContact O-CD1 3.41Å; L186-R341 HydrophobicContact CD2-CG 4.24Å
187	H	98.4	Very high	96.4	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.6	180	-45.1	125.7	0	0	0	111.4	V78 I79 Y91 D93 P189 D211	V78-H187 WeakPolarHBondContact CG2-O 3.36Å; I79-H187 HydrophobicContact CG2-CB 4.17Å; I79-H187 PolarHBondContact N-O 3.36Å; I79-H187 PolarHBondContact O-N 3.3Å; Y91-H187 AromaticContact CD1-CD2 3.71Å; Y91-H187 AromaticContact CD1-NE2 3.96Å; Y91-H187 AromaticContact CE1-CD2 3.96Å; D93-H187 VanDerWaalsContact OD2-CA 3.23Å; D93-H187 WeakPolarHBondContact OD2-CA 3.4Å; H187-P189 WeakPolarHBondContact O-CD 3.4Å; H187-D211 WeakPolarHBondContact CB-OD2 3.39Å; H187-D211 IonicContact CG-OD2 3.37Å; H187-D211 IonicContact ND1-OD2 2.78Å; H187-D211 PolarHBondContact ND1-OD2 3.08Å
188	W	98.1	Very high	96.3	Very high	3 Å²	3	32 Å²	32	1%	0.011	18%	0.182	C	C	.	.			trans	-108	98.9	170.5	-68.3	98.2	0	0	0	107.9	R60 H77 V78 D93 W95 L176 V190 V191 N196	R60-W188 HydrophobicContact CB-CZ3 4.39Å; H77-W188 VanDerWaalsContact O-CE3 3.28Å; V78-W188 HydrophobicContact CB-CD2 3.79Å; V78-W188 HydrophobicContact CB-CE3 3.64Å; V78-W188 HydrophobicContact CB-CH2 3.81Å; V78-W188 HydrophobicContact CB-CZ2 3.97Å; V78-W188 HydrophobicContact CB-CZ3 3.64Å; V78-W188 HydrophobicContact CG1-CH2 4.08Å; V78-W188 HydrophobicContact CG1-CZ2 4.4Å; V78-W188 HydrophobicContact CG1-CZ3 4.22Å; V78-W188 HydrophobicContact CG2-CD2 3.7Å; V78-W188 HydrophobicContact CG2-CE3 4.12Å; V78-W188 HydrophobicContact CG2-CG 4.24Å; V78-W188 HydrophobicContact CG2-CH2 4.25Å; V78-W188 HydrophobicContact CG2-CZ2 3.87Å; V78-W188 HydrophobicContact CG2-CZ3 4.36Å; D93-W188 HydrophobicContact CB-CB 4.24Å; D93-W188 VanDerWaalsContact CB-CD1 3.47Å; D93-W188 HydrophobicContact CB-CG 4.25Å; D93-W188 PolarHBondContact OD2-N 3.22Å; W95-W188 HydrophobicContact CD2-CZ2 4.33Å; W95-W188 HydrophobicContact CE3-CZ2 4.28Å; W95-W188 HydrophobicContact CZ2-CH2 4.41Å; W95-W188 HydrophobicContact CZ3-CZ2 4.48Å; L176-W188 HydrophobicContact CD2-CH2 3.89Å; L176-W188 HydrophobicContact CD2-CZ2 3.73Å; W188-V190 PolarHBondContact O-N 2.98Å; W188-V191 HydrophobicContact CB-CG2 4.24Å; W188-N196 WeakPolarHBondContact O-CB 3.45Å; W188-N196 PolarHBondContact O-ND2 3.2Å; W188-N196 VanDerWaalsContact O-ND2 3.11Å
189	P	98.3	Very high	96.2	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.019	23%	0.227	C	C	.	.	S	Bend	trans	-63.9	-18.6	-170.2	-25.7	36.9	0	0	0	114.4	H77 I79 H187 L195 N196 V208 D211 L212	H77-P189 WeakPolarHBondContact O-CD 3.48Å; I79-P189 HydrophobicContact CG2-CG 4.38Å; H187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-L195 WeakPolarHBondContact O-CA 3.2Å; P189-N196 PolarHBondContact O-N 2.84Å; P189-V208 HydrophobicContact CB-CG1 4.14Å; P189-V208 WeakPolarHBondContact O-CG1 3.23Å; P189-D211 HydrophobicContact CG-CB 3.9Å; P189-L212 HydrophobicContact CB-CD2 3.57Å; P189-L212 HydrophobicContact CB-CG 3.84Å; P189-L212 HydrophobicContact CG-CD2 4.29Å
190	V	98.1	Very high	96	Very high	12 Å²	12	38.5 Å²	38.5	7%	0.073	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.3	178.6	-178.8	0	0	0	0	109.6	S59 H77 W188 Q194 L195 L212	S59-V190 VanDerWaalsContact CA-O 3.26Å; S59-V190 WeakPolarHBondContact CA-O 3.33Å; S59-V190 VanDerWaalsContact O-O 3.12Å; H77-V190 VanDerWaalsContact CE1-CG2 3.49Å; H77-V190 WeakPolarHBondContact CE1-CG2 3.26Å; W188-V190 PolarHBondContact O-N 2.98Å; V190-Q194 CarbonylContact C-O 3.43Å; V190-Q194 VanDerWaalsContact CA-O 3.27Å; V190-Q194 WeakPolarHBondContact CA-O 3.41Å; V190-Q194 WeakPolarHBondContact CG1-O 3.42Å; V190-L195 HydrophobicContact CG2-CD2 4.38Å; V190-L212 HydrophobicContact CG2-CD2 4.33Å
191	V	97	Very high	96	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.085	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.8	177.2	170.6	0	0	0	0	109.2	W188 G193 Q194 N196	W188-V191 HydrophobicContact CB-CG2 4.24Å; V191-G193 PolarHBondContact O-N 2.87Å; V191-Q194 PolarHBondContact N-O 2.87Å; V191-Q194 PolarHBondContact O-N 2.78Å; V191-Q194 VanDerWaalsContact O-N 3.08Å; V191-Q194 VanDerWaalsContact O-O 3.14Å; V191-N196 HydrophobicContact CB-CB 4.13Å; V191-N196 HydrophobicContact CG2-CB 3.82Å; V191-N196 VanDerWaalsContact CG2-CG 3.48Å
192	R	95.9	Very high	96	Very high	87 Å²	87	34.1 Å²	34.1	33%	0.328	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	41.2	-177.2	-64.8	175.9	-72.3	-83	0.1	113.3	S59 Q194 Q291	S59-R192 PolarHBondContact OG-N 2.85Å; S59-R192 VanDerWaalsContact OG-N 3.09Å; R192-Q194 VanDerWaalsContact C-N 3.28Å; R192-Q194 PolarHBondContact O-N 3.15Å; R192-Q291 HydrophobicContact CB-CB 4.43Å; R192-Q291 HydrophobicContact CG-CB 3.86Å
193	G	93.6	Very high	96	Very high	13 Å²	13	32.1 Å²	32.1	13%	0.134	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	8.5	178.7	0	0	0	0	0	116	S59 V191 P241	S59-G193 PolarHBondContact OG-N 2.94Å; V191-G193 PolarHBondContact O-N 2.87Å; G193-P241 VanDerWaalsContact O-CG 3.29Å; G193-P241 WeakPolarHBondContact O-CG 3.49Å
194	Q	95.8	Very high	96.2	Very high	63 Å²	63	32.5 Å²	32.5	29%	0.294	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.7	178.1	-60.8	-64.7	-31.9	0	0	110.4	V190 V191 R192 N196 I243	V190-Q194 CarbonylContact C-O 3.43Å; V190-Q194 VanDerWaalsContact CA-O 3.27Å; V190-Q194 WeakPolarHBondContact CA-O 3.41Å; V190-Q194 WeakPolarHBondContact CG1-O 3.42Å; V191-Q194 PolarHBondContact N-O 2.87Å; V191-Q194 PolarHBondContact O-N 2.78Å; V191-Q194 VanDerWaalsContact O-N 3.08Å; V191-Q194 VanDerWaalsContact O-O 3.14Å; R192-Q194 VanDerWaalsContact C-N 3.28Å; R192-Q194 PolarHBondContact O-N 3.15Å; Q194-N196 PolarHBondContact O-N 3.3Å; Q194-I243 PolarHBondContact NE2-O 3.23Å; Q194-I243 VanDerWaalsContact NE2-O 3.16Å
195	L	97.9	Very high	96.2	Very high	16 Å²	16	34.5 Å²	34.5	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	133.2	171.5	-63.6	-170.1	0	0	0	110.2	P189 V190 V197 L205 V208 L209 L212 H248 I252	P189-L195 WeakPolarHBondContact O-CA 3.2Å; V190-L195 HydrophobicContact CG2-CD2 4.38Å; L195-V197 HydrophobicContact CB-CG2 4.29Å; L195-V197 PolarHBondContact O-N 2.83Å; L195-L205 HydrophobicContact CD1-CD1 3.69Å; L195-V208 HydrophobicContact CB-CG1 4.1Å; L195-V208 HydrophobicContact CD2-CG1 4.12Å; L195-V208 HydrophobicContact CG-CG1 4.49Å; L195-L209 HydrophobicContact CD1-CD2 4.47Å; L195-L212 HydrophobicContact CD2-CD1 3.6Å; L195-H248 HydrophobicContact CD1-CB 3.71Å; L195-H248 HydrophobicContact CG-CB 4.04Å; L195-I252 HydrophobicContact CD1-CD1 4.47Å; L195-I252 HydrophobicContact CD2-CD1 4.18Å
196	N	97.6	Very high	96.2	Very high	20 Å²	20	39 Å²	39	11%	0.107	24%	0.239	C	C	.	.			trans	-79.8	68.4	-175.6	-171.1	30	0	0	0	111.8	D93 W188 P189 V191 Q194 H198 V208	D93-N196 PolarHBondContact OD1-ND2 3.25Å; D93-N196 PolarHBondContact OD2-ND2 3.49Å; W188-N196 WeakPolarHBondContact O-CB 3.45Å; W188-N196 PolarHBondContact O-ND2 3.2Å; W188-N196 VanDerWaalsContact O-ND2 3.11Å; P189-N196 PolarHBondContact O-N 2.84Å; V191-N196 HydrophobicContact CB-CB 4.13Å; V191-N196 HydrophobicContact CG2-CB 3.82Å; V191-N196 VanDerWaalsContact CG2-CG 3.48Å; Q194-N196 PolarHBondContact O-N 3.3Å; N196-H198 PolarHBondContact O-CD2 2.92Å; N196-H198 VanDerWaalsContact O-CD2 3.32Å; N196-V208 WeakPolarHBondContact O-CG2 3.48Å
197	V	97.1	Very high	96.3	Very high	75 Å²	75	40 Å²	40	46%	0.455	25%	0.248	S	C	.	.			trans	-84.9	124.1	178.4	179.8	0	0	0	0	110.1	L195 G203 L205	L195-V197 HydrophobicContact CB-CG2 4.29Å; L195-V197 PolarHBondContact O-N 2.83Å; V197-G203 CarbonylContact C-O 3.59Å; V197-G203 WeakPolarHBondContact CA-O 3.16Å; V197-G203 WeakPolarHBondContact CG1-O 3.44Å; V197-L205 HydrophobicContact CG2-CB 4.46Å; V197-L205 HydrophobicContact CG2-CD1 4.34Å
198	H	95.4	Very high	96.3	Very high	48 Å²	48	39.9 Å²	39.9	22%	0.222	25%	0.248	C	C	.	.			trans	-154.9	172.2	-179.5	59.8	71.7	0	0	0	112.3	Y91 D93 N196 G200 S201 G203	Y91-H198 AromaticContact CE1-CE1 3.82Å; Y91-H198 AromaticContact CZ-CE1 3.47Å; Y91-H198 VanDerWaalsContact CZ-CE1 3.47Å; Y91-H198 AromaticContact CZ-NE2 3.98Å; Y91-H198 PolarHBondContact OH-CE1 2.9Å; Y91-H198 PolarHBondContact OH-ND1 2.76Å; Y91-H198 PolarHBondContact OH-NE2 3.29Å; D93-H198 IonicContact OD1-CD2 2.83Å; D93-H198 IonicContact OD1-NE2 3.67Å; D93-H198 PolarHBondContact OD1-NE2 3.46Å; N196-H198 PolarHBondContact O-CD2 2.92Å; N196-H198 VanDerWaalsContact O-CD2 3.32Å; H198-G200 WeakPolarHBondContact ND1-CA 3.17Å; H198-G200 PolarHBondContact ND1-N 2.83Å; H198-G200 VanDerWaalsContact ND1-N 3.11Å; H198-G200 PolarHBondContact ND1-O 2.91Å; H198-S201 PolarHBondContact CE1-O 3.03Å; H198-G203 WeakPolarHBondContact CE1-CA 3.38Å; H198-G203 PolarHBondContact CE1-N 2.79Å; H198-G203 PolarHBondContact N-O 3.41Å; H198-G203 WeakPolarHBondContact ND1-CA 3.5Å; H198-G203 CarbonylContact O-C 3.44Å; H198-G203 VanDerWaalsContact O-CA 3.29Å; H198-G203 WeakPolarHBondContact O-CA 3.2Å; H198-G203 VanDerWaalsContact O-O 3.1Å
199	S	94.4	Very high	96.3	Very high	137 Å²	137	40.7 Å²	40.7	96%	0.958	25%	0.252	S	S	*	.	S	Bend	trans	-78	-19.8	-177.4	55.2	0	0	0	0	114.9
200	G	91.7	Very high	96.3	Very high	28 Å²	28	42.5 Å²	42.5	29%	0.289	27%	0.268	S	S	.	.	S	Bend	trans	-69.1	175	176.9	0	0	0	0	0	114.9	H198 G202 G203	H198-G200 WeakPolarHBondContact ND1-CA 3.17Å; H198-G200 PolarHBondContact ND1-N 2.83Å; H198-G200 VanDerWaalsContact ND1-N 3.11Å; H198-G200 PolarHBondContact ND1-O 2.91Å; G200-G202 PolarHBondContact O-N 2.95Å; G200-G203 PolarHBondContact O-N 3.13Å; G200-G203 VanDerWaalsContact O-N 3.09Å
201	S	92.7	Very high	96.3	Very high	58 Å²	58	42.1 Å²	42.1	41%	0.406	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	132	176	173	0	0	0	0	111.3	Y91 N185 H198 G203	Y91-S201 WeakPolarHBondContact CD1-O 3.44Å; Y91-S201 WeakPolarHBondContact CE1-O 3.36Å; N185-S201 PolarHBondContact ND2-OG 2.94Å; H198-S201 PolarHBondContact CE1-O 3.03Å; S201-G203 PolarHBondContact O-N 3.22Å
202	G	93.1	Very high	96.4	Very high	18 Å²	18	41.5 Å²	41.5	19%	0.186	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-5.7	-179.5	0	0	0	0	0	114.9	G200 A207	G200-G202 PolarHBondContact O-N 2.95Å; G202-A207 WeakPolarHBondContact O-CB 3.12Å
203	G	95.8	Very high	96.6	Very high	1 Å²	1	40 Å²	40	1%	0.01	26%	0.258	C	S	.	.			trans	-88	-1.6	-172.7	0	0	0	0	0	116.6	V197 H198 G200 S201	V197-G203 CarbonylContact C-O 3.59Å; V197-G203 WeakPolarHBondContact CA-O 3.16Å; V197-G203 WeakPolarHBondContact CG1-O 3.44Å; H198-G203 WeakPolarHBondContact CE1-CA 3.38Å; H198-G203 PolarHBondContact CE1-N 2.79Å; H198-G203 PolarHBondContact N-O 3.41Å; H198-G203 WeakPolarHBondContact ND1-CA 3.5Å; H198-G203 CarbonylContact O-C 3.44Å; H198-G203 VanDerWaalsContact O-CA 3.29Å; H198-G203 WeakPolarHBondContact O-CA 3.2Å; H198-G203 VanDerWaalsContact O-O 3.1Å; G200-G203 PolarHBondContact O-N 3.13Å; G200-G203 VanDerWaalsContact O-N 3.09Å; S201-G203 PolarHBondContact O-N 3.22Å
204	S	97.8	Very high	96.8	Very high	58 Å²	58	40.8 Å²	40.8	41%	0.406	26%	0.26	S	S	.	.	S	Bend	trans	-70.5	149.9	172.5	70.9	0	0	0	0	110.2	T206 A207 V208	S204-T206 PolarHBondContact O-N 3.41Å; S204-T206 VanDerWaalsContact O-N 3.16Å; S204-T206 PolarHBondContact OG-OG1 3.45Å; S204-A207 PolarHBondContact O-N 3.09Å; S204-A207 VanDerWaalsContact OG-CB 3.31Å; S204-A207 WeakPolarHBondContact OG-CB 3.45Å; S204-A207 PolarHBondContact OG-N 3.46Å; S204-V208 WeakPolarHBondContact O-CG2 3.49Å; S204-V208 PolarHBondContact O-N 2.96Å
205	L	97.4	Very high	96.9	Very high	47 Å²	47	37.8 Å²	37.8	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-52.6	-41.5	177.7	178.7	59.3	0	0	0	112.2	L195 V197 V208 L209 E251	L195-L205 HydrophobicContact CD1-CD1 3.69Å; V197-L205 HydrophobicContact CG2-CB 4.46Å; V197-L205 HydrophobicContact CG2-CD1 4.34Å; L205-V208 PolarHBondContact O-N 3.32Å; L205-L209 HydrophobicContact CD1-CD1 4.06Å; L205-L209 HydrophobicContact CD1-CG 4.3Å; L205-L209 HydrophobicContact CG-CD1 3.95Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 WeakPolarHBondContact O-CD1 3.44Å; L205-L209 VanDerWaalsContact O-CG 3.25Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.48Å; L205-E251 HydrophobicContact CD2-CG 4.16Å
206	T	97.7	Very high	97	Very high	107 Å²	107	37.1 Å²	37.1	66%	0.656	24%	0.242	S	C	*	.	H	α-helix	trans	-64.4	-39.2	176.7	49.5	0	0	0	0	113.3	S204 A210	S204-T206 PolarHBondContact O-N 3.41Å; S204-T206 VanDerWaalsContact O-N 3.16Å; S204-T206 PolarHBondContact OG-OG1 3.45Å; T206-A210 WeakPolarHBondContact O-CB 3.39Å; T206-A210 PolarHBondContact O-N 3.41Å
207	A	98	Very high	97	Very high	25 Å²	25	36.8 Å²	36.8	21%	0.207	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-43.3	177.8	0	0	0	0	0	111	G202 S204 L209 A210 D211	G202-A207 WeakPolarHBondContact O-CB 3.12Å; S204-A207 PolarHBondContact O-N 3.09Å; S204-A207 VanDerWaalsContact OG-CB 3.31Å; S204-A207 WeakPolarHBondContact OG-CB 3.45Å; S204-A207 PolarHBondContact OG-N 3.46Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.46Å; A207-A210 PolarHBondContact O-N 3.23Å; A207-D211 PolarHBondContact O-N 3.11Å
208	V	98.6	Very high	97.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-44.1	175.1	175.8	0	0	0	0	111.2	P189 L195 N196 S204 L205 D211 L212	P189-V208 HydrophobicContact CB-CG1 4.14Å; P189-V208 WeakPolarHBondContact O-CG1 3.23Å; L195-V208 HydrophobicContact CB-CG1 4.1Å; L195-V208 HydrophobicContact CD2-CG1 4.12Å; L195-V208 HydrophobicContact CG-CG1 4.49Å; N196-V208 WeakPolarHBondContact O-CG2 3.48Å; S204-V208 WeakPolarHBondContact O-CG2 3.49Å; S204-V208 PolarHBondContact O-N 2.96Å; L205-V208 PolarHBondContact O-N 3.32Å; V208-D211 WeakPolarHBondContact O-CB 3.33Å; V208-D211 PolarHBondContact O-N 2.9Å; V208-L212 WeakPolarHBondContact O-CG 3.32Å; V208-L212 PolarHBondContact O-N 3.13Å
209	L	98.6	Very high	97.2	Very high	21 Å²	21	32.4 Å²	32.4	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-64.9	-41.5	176.3	-71.5	163.3	0	0	0	112.2	L195 L205 A207 D211 L212 E213 E251 I252 M255	L195-L209 HydrophobicContact CD1-CD2 4.47Å; L205-L209 HydrophobicContact CD1-CD1 4.06Å; L205-L209 HydrophobicContact CD1-CG 4.3Å; L205-L209 HydrophobicContact CG-CD1 3.95Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 WeakPolarHBondContact O-CD1 3.44Å; L205-L209 VanDerWaalsContact O-CG 3.25Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 3.48Å; A207-L209 VanDerWaalsContact C-N 3.34Å; A207-L209 PolarHBondContact O-N 3.46Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 2.91Å; L209-L212 PolarHBondContact O-N 3.28Å; L209-E213 WeakPolarHBondContact O-CB 3.2Å; L209-E213 PolarHBondContact O-N 2.92Å; L209-E251 HydrophobicContact CD1-CB 3.59Å; L209-E251 HydrophobicContact CD1-CG 4.14Å; L209-E251 HydrophobicContact CD2-CB 4.01Å; L209-E251 HydrophobicContact CG-CB 4.44Å; L209-I252 HydrophobicContact CD2-CG1 4.06Å; L209-M255 HydrophobicContact CD2-SD 4.44Å; L209-M255 VanDerWaalsContact O-SD 3.41Å
210	A	98.6	Very high	97.4	Very high	41 Å²	41	25.9 Å²	25.9	34%	0.339	17%	0.17	S	C	.	.	H	α-helix	trans	-63.2	-34.9	175.2	0	0	0	0	0	112.3	R81 T206 A207 T214	R81-A210 PolarHBondContact NH2-O 2.85Å; T206-A210 WeakPolarHBondContact O-CB 3.39Å; T206-A210 PolarHBondContact O-N 3.41Å; A207-A210 PolarHBondContact O-N 3.23Å; A210-T214 WeakPolarHBondContact O-CB 3.48Å; A210-T214 PolarHBondContact O-N 2.98Å; A210-T214 PolarHBondContact O-OG1 2.75Å
211	D	98.6	Very high	97.7	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-45.2	174.2	-76.4	14.1	0	0	0	111.4	I79 R81 H187 P189 A207 V208 L209 T214 L215	I79-D211 HydrophobicContact CG2-CB 3.86Å; I79-D211 WeakPolarHBondContact CG2-OD2 3.42Å; R81-D211 IonicContact CZ-OD1 2.7Å; R81-D211 IonicContact NE-OD1 3.59Å; R81-D211 PolarHBondContact NE-OD1 3.12Å; R81-D211 IonicContact NE-OD2 2.71Å; R81-D211 IonicContact NH2-OD1 3.96Å; R81-D211 PolarHBondContact NH2-OD1 3.2Å; H187-D211 WeakPolarHBondContact CB-OD2 3.39Å; H187-D211 IonicContact CG-OD2 3.37Å; H187-D211 IonicContact ND1-OD2 2.78Å; H187-D211 PolarHBondContact ND1-OD2 3.08Å; P189-D211 HydrophobicContact CG-CB 3.9Å; A207-D211 PolarHBondContact O-N 3.11Å; V208-D211 WeakPolarHBondContact O-CB 3.33Å; V208-D211 PolarHBondContact O-N 2.9Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 2.91Å; D211-T214 PolarHBondContact O-N 3.29Å; D211-L215 WeakPolarHBondContact O-CB 3.36Å; D211-L215 PolarHBondContact O-N 3.3Å
212	L	98.7	Very high	97.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-47.9	173	-71.1	175.7	0	0	0	112.1	H77 P189 V190 L195 V208 L209 T214 L215 W216 M255	H77-L212 VanDerWaalsContact NE2-CD2 3.34Å; H77-L212 WeakPolarHBondContact NE2-CD2 3.26Å; P189-L212 HydrophobicContact CB-CD2 3.57Å; P189-L212 HydrophobicContact CB-CG 3.84Å; P189-L212 HydrophobicContact CG-CD2 4.29Å; V190-L212 HydrophobicContact CG2-CD2 4.33Å; L195-L212 HydrophobicContact CD2-CD1 3.6Å; V208-L212 WeakPolarHBondContact O-CG 3.32Å; V208-L212 PolarHBondContact O-N 3.13Å; L209-L212 PolarHBondContact O-N 3.28Å; L212-T214 PolarHBondContact O-N 2.93Å; L212-L215 PolarHBondContact O-N 2.89Å; L212-W216 HydrophobicContact CD1-CZ2 4.47Å; L212-W216 HydrophobicContact CD2-CZ2 3.83Å; L212-W216 WeakPolarHBondContact O-CB 3.34Å; L212-W216 VanDerWaalsContact O-CG 3.25Å; L212-W216 PolarHBondContact O-N 3.33Å; L212-M255 HydrophobicContact CB-CE 4.34Å; L212-M255 HydrophobicContact CB-SD 4.1Å
213	E	98.8	Very high	98.2	Very high	56 Å²	56	33.9 Å²	33.9	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-58	-48.2	178.5	-171.3	-178.8	149.1	0	0	110.9	L209 S217 M255 N259 M260	L209-E213 WeakPolarHBondContact O-CB 3.2Å; L209-E213 PolarHBondContact O-N 2.92Å; E213-S217 WeakPolarHBondContact O-CB 3.41Å; E213-S217 PolarHBondContact O-N 3.48Å; E213-S217 PolarHBondContact O-OG 3.36Å; E213-M255 HydrophobicContact CB-CG 4.02Å; E213-M255 HydrophobicContact CB-SD 3.7Å; E213-M255 HydrophobicContact CG-CG 4.21Å; E213-M255 HydrophobicContact CG-SD 4.47Å; E213-N259 WeakPolarHBondContact OE2-CB 3.45Å; E213-N259 PolarHBondContact OE2-ND2 3.47Å; E213-M260 HydrophobicContact CG-CG 3.95Å
214	T	98.8	Very high	98.2	Very high	29 Å²	29	34 Å²	34	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-46.8	179.1	-55.7	0	0	0	0	110.8	I79 R81 Y169 A210 D211 L212 Y218	I79-T214 HydrophobicContact CD1-CG2 3.76Å; R81-T214 PolarHBondContact NH2-OG1 3.01Å; Y169-T214 HydrophobicContact CD1-CG2 3.86Å; Y169-T214 HydrophobicContact CD2-CG2 3.7Å; Y169-T214 HydrophobicContact CE1-CG2 3.79Å; Y169-T214 HydrophobicContact CE2-CG2 3.63Å; Y169-T214 HydrophobicContact CG-CG2 3.81Å; A210-T214 WeakPolarHBondContact O-CB 3.48Å; A210-T214 PolarHBondContact O-N 2.98Å; A210-T214 PolarHBondContact O-OG1 2.75Å; D211-T214 PolarHBondContact O-N 3.29Å; L212-T214 PolarHBondContact O-N 2.93Å; T214-Y218 VanDerWaalsContact O-CB 3.29Å; T214-Y218 WeakPolarHBondContact O-CB 3.29Å; T214-Y218 PolarHBondContact O-N 3.47Å
215	L	98.6	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-49	-176.5	-170.8	153.8	0	0	0	111.2	L62 I75 V78 I79 V171 D211 L212 Y218 V219	L62-L215 HydrophobicContact CD2-CD2 3.45Å; L62-L215 VanDerWaalsContact CD2-CD2 3.45Å; I75-L215 HydrophobicContact CD1-CD2 3.92Å; V78-L215 WeakPolarHBondContact O-CD1 3.48Å; I79-L215 HydrophobicContact CB-CD1 4.42Å; V171-L215 HydrophobicContact CG1-CD1 4.29Å; V171-L215 HydrophobicContact CG1-CG 3.73Å; V171-L215 HydrophobicContact CG2-CG 4.5Å; D211-L215 WeakPolarHBondContact O-CB 3.36Å; D211-L215 PolarHBondContact O-N 3.3Å; L212-L215 PolarHBondContact O-N 2.89Å; L215-Y218 WeakPolarHBondContact O-CB 3Å; L215-Y218 PolarHBondContact O-N 3.39Å; L215-V219 HydrophobicContact CD2-CG2 4.43Å; L215-V219 WeakPolarHBondContact O-CG2 3.21Å; L215-V219 PolarHBondContact O-N 3.19Å; L215-V219 VanDerWaalsContact O-N 3.08Å
216	W	98.7	Very high	98.3	Very high	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-40.5	-178.5	-63.2	-0.1	0	0	0	111.3	I55 P57 L62 H77 L212 Y218 V219 I220 L238 I252 M255 L256 M260	I55-W216 HydrophobicContact CD1-CE3 4.22Å; I55-W216 HydrophobicContact CD1-CZ3 4.49Å; I55-W216 HydrophobicContact CG2-CD2 4.23Å; I55-W216 HydrophobicContact CG2-CE3 4.23Å; I55-W216 HydrophobicContact CG2-CH2 4.24Å; I55-W216 HydrophobicContact CG2-CZ2 4.25Å; I55-W216 HydrophobicContact CG2-CZ3 4.24Å; P57-W216 HydrophobicContact CB-CZ2 4.02Å; P57-W216 HydrophobicContact CG-CZ2 4.4Å; L62-W216 VanDerWaalsContact CD2-CD1 3.42Å; L62-W216 HydrophobicContact CD2-CG 4.36Å; H77-W216 AromaticContact NE2-NE1 3.2Å; H77-W216 PolarHBondContact NE2-NE1 3.23Å; L212-W216 HydrophobicContact CD1-CZ2 4.47Å; L212-W216 HydrophobicContact CD2-CZ2 3.83Å; L212-W216 WeakPolarHBondContact O-CB 3.34Å; L212-W216 VanDerWaalsContact O-CG 3.25Å; L212-W216 PolarHBondContact O-N 3.33Å; W216-Y218 VanDerWaalsContact C-N 3.33Å; W216-Y218 PolarHBondContact O-N 3.38Å; W216-V219 PolarHBondContact O-N 3.28Å; W216-I220 VanDerWaalsContact O-CG1 3.26Å; W216-I220 WeakPolarHBondContact O-CG1 3.49Å; W216-I220 PolarHBondContact O-N 2.67Å; W216-L238 HydrophobicContact CH2-CD1 4.15Å; W216-L238 HydrophobicContact CZ3-CD1 4.5Å; W216-I252 HydrophobicContact CH2-CG2 3.8Å; W216-I252 HydrophobicContact CZ3-CG2 3.84Å; W216-M255 HydrophobicContact CD2-CE 4.38Å; W216-M255 HydrophobicContact CE3-CE 3.47Å; W216-M255 VanDerWaalsContact CE3-CE 3.47Å; W216-M255 HydrophobicContact CH2-CE 4.3Å; W216-M255 HydrophobicContact CZ3-CE 3.43Å; W216-M255 VanDerWaalsContact CZ3-CE 3.43Å; W216-L256 HydrophobicContact CE3-CD2 3.91Å; W216-L256 HydrophobicContact CZ3-CD1 4.11Å; W216-L256 HydrophobicContact CZ3-CD2 3.96Å; W216-L256 HydrophobicContact CZ3-CG 4.16Å; W216-M260 HydrophobicContact CB-CE 4.11Å
217	S	98.7	Very high	98.3	Very high	13 Å²	13	34.1 Å²	34.1	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-58.4	-45.3	173.4	-63.3	0	0	0	0	111.6	E213 V219 I220 Q221	E213-S217 WeakPolarHBondContact O-CB 3.41Å; E213-S217 PolarHBondContact O-N 3.48Å; E213-S217 PolarHBondContact O-OG 3.36Å; S217-V219 VanDerWaalsContact C-N 3.34Å; S217-V219 PolarHBondContact O-N 3.44Å; S217-I220 PolarHBondContact O-N 3.23Å; S217-Q221 WeakPolarHBondContact O-CG 3.02Å; S217-Q221 PolarHBondContact O-N 2.82Å
218	Y	98.5	Very high	98.2	Very high	32 Å²	32	35.6 Å²	35.6	13%	0.125	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-44.5	176.2	170.1	-91	0	0	0	112	Y169 V171 T214 L215 W216 Q221 K222	Y169-Y218 HydrophobicContact CE2-CD2 4.47Å; V171-Y218 HydrophobicContact CB-CD1 3.61Å; V171-Y218 HydrophobicContact CB-CE1 3.7Å; V171-Y218 HydrophobicContact CB-CG 4.02Å; V171-Y218 HydrophobicContact CG1-CD1 3.39Å; V171-Y218 HydrophobicContact CG1-CE1 3.67Å; V171-Y218 HydrophobicContact CG1-CG 4.16Å; V171-Y218 HydrophobicContact CG2-CD1 4.18Å; V171-Y218 HydrophobicContact CG2-CG 4.13Å; T214-Y218 VanDerWaalsContact O-CB 3.29Å; T214-Y218 WeakPolarHBondContact O-CB 3.29Å; T214-Y218 PolarHBondContact O-N 3.47Å; L215-Y218 WeakPolarHBondContact O-CB 3Å; L215-Y218 PolarHBondContact O-N 3.39Å; W216-Y218 VanDerWaalsContact C-N 3.33Å; W216-Y218 PolarHBondContact O-N 3.38Å; Y218-Q221 PolarHBondContact O-N 3.48Å; Y218-K222 HydrophobicContact CE1-CD 3.92Å; Y218-K222 HydrophobicContact CE2-CB 4.45Å; Y218-K222 HydrophobicContact CE2-CD 3.61Å; Y218-K222 VanDerWaalsContact O-CB 3.25Å; Y218-K222 WeakPolarHBondContact O-CB 3.25Å; Y218-K222 PolarHBondContact O-N 3.18Å; Y218-K222 WeakPolarHBondContact OH-CD 3.48Å; Y218-K222 WeakPolarHBondContact OH-CE 3.2Å; Y218-K222 PolarHBondContact OH-NZ 3Å
219	V	98.3	Very high	98.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-42.4	-179.6	-176.6	0	0	0	0	111.8	L62 I64 V73 I75 L215 W216 S217 Q221 H223 L224	L62-V219 HydrophobicContact CD2-CG2 4.22Å; I64-V219 HydrophobicContact CG2-CB 4.05Å; I64-V219 HydrophobicContact CG2-CG1 3.22Å; V73-V219 HydrophobicContact CB-CG1 4.38Å; V73-V219 HydrophobicContact CG1-CG1 3.87Å; I75-V219 HydrophobicContact CD1-CG2 3.17Å; I75-V219 HydrophobicContact CG1-CG2 3.81Å; L215-V219 HydrophobicContact CD2-CG2 4.43Å; L215-V219 WeakPolarHBondContact O-CG2 3.21Å; L215-V219 PolarHBondContact O-N 3.19Å; L215-V219 VanDerWaalsContact O-N 3.08Å; W216-V219 PolarHBondContact O-N 3.28Å; S217-V219 VanDerWaalsContact C-N 3.34Å; S217-V219 PolarHBondContact O-N 3.44Å; V219-Q221 VanDerWaalsContact C-N 3.32Å; V219-Q221 PolarHBondContact O-N 2.77Å; V219-H223 HydrophobicContact CG1-CB 4.08Å; V219-H223 WeakPolarHBondContact O-CA 3.32Å; V219-H223 WeakPolarHBondContact O-CB 3.37Å; V219-H223 PolarHBondContact O-N 3.13Å; V219-L224 PolarHBondContact O-N 3.18Å; V219-L224 VanDerWaalsContact O-N 3.16Å
220	I	98.6	Very high	98.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-45.4	176.7	-70.6	166.6	0	0	0	110.5	I64 W216 S217 L224 E225 I226 L228 L231 M260 F262	I64-I220 HydrophobicContact CD1-CD1 4.12Å; I64-I220 HydrophobicContact CD1-CG1 3.76Å; W216-I220 VanDerWaalsContact O-CG1 3.26Å; W216-I220 WeakPolarHBondContact O-CG1 3.49Å; W216-I220 PolarHBondContact O-N 2.67Å; S217-I220 PolarHBondContact O-N 3.23Å; I220-L224 HydrophobicContact CG1-CD1 4.3Å; I220-L224 CarbonylContact O-C 3.54Å; I220-L224 WeakPolarHBondContact O-CA 3.42Å; I220-L224 WeakPolarHBondContact O-CB 3.47Å; I220-L224 PolarHBondContact O-N 3.13Å; I220-E225 PolarHBondContact O-N 3.44Å; I220-E225 VanDerWaalsContact O-N 3.14Å; I220-I226 HydrophobicContact CG2-CB 3.76Å; I220-I226 HydrophobicContact CG2-CG2 4.12Å; I220-I226 PolarHBondContact O-N 3.12Å; I220-L228 HydrophobicContact CG2-CD2 4.35Å; I220-L231 HydrophobicContact CG2-CD2 4Å; I220-M260 HydrophobicContact CD1-CE 3.58Å; I220-F262 HydrophobicContact CD1-CE2 4.25Å; I220-F262 HydrophobicContact CD1-CZ 3.9Å
221	Q	97.9	Very high	98.1	Very high	89 Å²	89	43.6 Å²	43.6	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-72	-48.9	-179.7	-70.1	178.8	-67.7	0	0	113	S217 Y218 V219 E225 I226 L228	S217-Q221 WeakPolarHBondContact O-CG 3.02Å; S217-Q221 PolarHBondContact O-N 2.82Å; Y218-Q221 PolarHBondContact O-N 3.48Å; V219-Q221 VanDerWaalsContact C-N 3.32Å; V219-Q221 PolarHBondContact O-N 2.77Å; Q221-E225 WeakPolarHBondContact O-CA 3.45Å; Q221-E225 PolarHBondContact O-N 2.78Å; Q221-I226 WeakPolarHBondContact CA-O 3.4Å; Q221-L228 HydrophobicContact CG-CD1 4.25Å; Q221-L228 HydrophobicContact CG-CD2 3.68Å; Q221-L228 HydrophobicContact CG-CG 3.58Å
222	K	97.4	Very high	98	Very high	99 Å²	99	49.3 Å²	49.3	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-81.4	-39.7	-170.7	-172.7	175.7	-179.2	169.2	0	112.9	E174 Y218	E174-K222 IonicContact OE1-NZ 3.91Å; E174-K222 PolarHBondContact OE1-NZ 3.02Å; Y218-K222 HydrophobicContact CE1-CD 3.92Å; Y218-K222 HydrophobicContact CE2-CB 4.45Å; Y218-K222 HydrophobicContact CE2-CD 3.61Å; Y218-K222 VanDerWaalsContact O-CB 3.25Å; Y218-K222 WeakPolarHBondContact O-CB 3.25Å; Y218-K222 PolarHBondContact O-N 3.18Å; Y218-K222 WeakPolarHBondContact OH-CD 3.48Å; Y218-K222 WeakPolarHBondContact OH-CE 3.2Å; Y218-K222 PolarHBondContact OH-NZ 3Å
223	H	97.4	Very high	97.9	Very high	84 Å²	84	56 Å²	56	39%	0.389	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-31	-171.9	-65.6	-76.4	0	0	0	113.6	V73 V219	V73-H223 HydrophobicContact CB-CB 4.38Å; V73-H223 HydrophobicContact CG1-CB 3.74Å; V73-H223 HydrophobicContact CG2-CB 3.85Å; V219-H223 HydrophobicContact CG1-CB 4.08Å; V219-H223 WeakPolarHBondContact O-CA 3.32Å; V219-H223 WeakPolarHBondContact O-CB 3.37Å; V219-H223 PolarHBondContact O-N 3.13Å
224	L	97.2	Very high	97.9	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	25%	0.25	C	C	.	.	S	Bend	trans	-92	-10	172	-51.1	-175.5	0	0	0	112.2	I53 I64 R66 V73 V219 I220 I226	I53-L224 HydrophobicContact CD1-CD1 4.09Å; I53-L224 HydrophobicContact CG2-CD1 4.32Å; I64-L224 HydrophobicContact CG1-CD1 4.28Å; R66-L224 PolarHBondContact NH1-O 2.89Å; R66-L224 PolarHBondContact NH2-O 2.96Å; V73-L224 HydrophobicContact CG2-CD2 3.61Å; V219-L224 PolarHBondContact O-N 3.18Å; V219-L224 VanDerWaalsContact O-N 3.16Å; I220-L224 HydrophobicContact CG1-CD1 4.3Å; I220-L224 CarbonylContact O-C 3.54Å; I220-L224 WeakPolarHBondContact O-CA 3.42Å; I220-L224 WeakPolarHBondContact O-CB 3.47Å; I220-L224 PolarHBondContact O-N 3.13Å; L224-I226 HydrophobicContact CB-CD1 3.88Å; L224-I226 HydrophobicContact CB-CG1 4.13Å; L224-I226 HydrophobicContact CD1-CD1 4.41Å; L224-I226 PolarHBondContact O-N 3.02Å
225	E	98.1	Very high	97.8	Very high	162 Å²	162	55.5 Å²	55.5	76%	0.757	25%	0.251	S	S	*	.			trans	59.4	33.7	179.9	-55.2	179	171.2	0	0	112.6	I220 Q221	I220-E225 PolarHBondContact O-N 3.44Å; I220-E225 VanDerWaalsContact O-N 3.14Å; Q221-E225 WeakPolarHBondContact O-CA 3.45Å; Q221-E225 PolarHBondContact O-N 2.78Å
226	I	97.8	Very high	97.8	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.015	25%	0.251	C	S	.	.			trans	-105.6	115.5	179.3	-60.6	166.6	0	0	0	109.3	I53 I220 Q221 L224 L228 L231 Y234	I53-I226 HydrophobicContact CD1-CD1 3.72Å; I220-I226 HydrophobicContact CG2-CB 3.76Å; I220-I226 HydrophobicContact CG2-CG2 4.12Å; I220-I226 PolarHBondContact O-N 3.12Å; Q221-I226 WeakPolarHBondContact CA-O 3.4Å; L224-I226 HydrophobicContact CB-CD1 3.88Å; L224-I226 HydrophobicContact CB-CG1 4.13Å; L224-I226 HydrophobicContact CD1-CD1 4.41Å; L224-I226 PolarHBondContact O-N 3.02Å; I226-L228 PolarHBondContact O-N 3.41Å; I226-L231 HydrophobicContact CG2-CD2 4.16Å; I226-Y234 HydrophobicContact CD1-CD1 4.34Å; I226-Y234 HydrophobicContact CD1-CE1 3.73Å; I226-Y234 HydrophobicContact CD1-CE2 4.32Å; I226-Y234 HydrophobicContact CG1-CE2 4.46Å; I226-Y234 HydrophobicContact CG2-CD2 4.09Å; I226-Y234 HydrophobicContact CG2-CE2 3.61Å
227	P	98.1	Very high	97.8	Very high	49 Å²	49	55.5 Å²	55.5	32%	0.318	25%	0.251	S	S	.	.			trans	-59.8	132.9	171.1	-24.2	35.2	0	0	0	111.7	K229 E230	P227-K229 HydrophobicContact CB-CG 4.07Å; P227-K229 PolarHBondContact O-N 3.45Å; P227-K229 VanDerWaalsContact O-N 3.1Å; P227-E230 HydrophobicContact CB-CG 4.33Å; P227-E230 WeakPolarHBondContact O-CB 3.33Å; P227-E230 PolarHBondContact O-N 3.45Å
228	L	97.5	Very high	97.8	Very high	55 Å²	55	54.9 Å²	54.9	29%	0.288	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-57.9	-32.8	-176.7	-60.6	176.4	0	0	0	113.6	I220 Q221 I226 E230 L231	I220-L228 HydrophobicContact CG2-CD2 4.35Å; Q221-L228 HydrophobicContact CG-CD1 4.25Å; Q221-L228 HydrophobicContact CG-CD2 3.68Å; Q221-L228 HydrophobicContact CG-CG 3.58Å; I226-L228 PolarHBondContact O-N 3.41Å; L228-E230 PolarHBondContact O-N 3.05Å; L228-E230 VanDerWaalsContact O-N 3.1Å; L228-L231 HydrophobicContact CD2-CD1 3.9Å; L228-L231 WeakPolarHBondContact O-CB 3.5Å; L228-L231 WeakPolarHBondContact O-CG 3.4Å; L228-L231 PolarHBondContact O-N 3.2Å
229	K	96.7	Very high	97.8	Very high	164 Å²	164	53.5 Å²	53.5	71%	0.713	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-60.6	-18.4	175.7	67.9	-179.5	-178.3	176	0	113.7	P227 K232	P227-K229 HydrophobicContact CB-CG 4.07Å; P227-K229 PolarHBondContact O-N 3.45Å; P227-K229 VanDerWaalsContact O-N 3.1Å; K229-K232 WeakPolarHBondContact O-CE 3.17Å
230	E	97.4	Very high	97.8	Very high	69 Å²	69	53.8 Å²	53.8	32%	0.322	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-93.4	-7	179.5	-68.6	170.5	-156.6	0	0	112.5	P227 L228 K232 Y233 Y234	P227-E230 HydrophobicContact CB-CG 4.33Å; P227-E230 WeakPolarHBondContact O-CB 3.33Å; P227-E230 PolarHBondContact O-N 3.45Å; L228-E230 PolarHBondContact O-N 3.05Å; L228-E230 VanDerWaalsContact O-N 3.1Å; E230-K232 PolarHBondContact O-N 3.02Å; E230-Y233 HydrophobicContact CB-CD2 4.07Å; E230-Y233 HydrophobicContact CG-CD2 4.34Å; E230-Y233 HydrophobicContact CG-CE2 4.39Å; E230-Y233 WeakPolarHBondContact O-CB 3.34Å; E230-Y233 WeakPolarHBondContact O-CD2 3.41Å; E230-Y233 PolarHBondContact O-N 3.13Å; E230-Y234 WeakPolarHBondContact O-CD2 3.48Å
231	L	97.8	Very high	97.7	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-57.8	-22.2	177.9	-71.2	-177.2	0	0	0	113.7	I220 I226 L228 Y233 Y234 M260 G261 F262	I220-L231 HydrophobicContact CG2-CD2 4Å; I226-L231 HydrophobicContact CG2-CD2 4.16Å; L228-L231 HydrophobicContact CD2-CD1 3.9Å; L228-L231 WeakPolarHBondContact O-CB 3.5Å; L228-L231 WeakPolarHBondContact O-CG 3.4Å; L228-L231 PolarHBondContact O-N 3.2Å; L231-Y233 PolarHBondContact O-N 3.35Å; L231-Y233 VanDerWaalsContact O-N 3.14Å; L231-Y234 HydrophobicContact CD2-CD2 4.44Å; L231-Y234 WeakPolarHBondContact O-CA 3.5Å; L231-Y234 PolarHBondContact O-N 3.44Å; L231-M260 HydrophobicContact CD1-CB 4.14Å; L231-M260 HydrophobicContact CD1-CE 4.23Å; L231-M260 WeakPolarHBondContact CD1-O 3.47Å; L231-G261 CarbonylContact C-O 3.24Å; L231-G261 VanDerWaalsContact C-O 3.25Å; L231-F262 HydrophobicContact CD1-CD2 4.4Å; L231-F262 HydrophobicContact CD1-CE2 3.97Å; L231-F262 HydrophobicContact CD1-CZ 4.2Å; L231-F262 HydrophobicContact CD2-CD1 4.31Å; L231-F262 HydrophobicContact CD2-CE1 3.67Å; L231-F262 HydrophobicContact CD2-CE2 4.22Å; L231-F262 HydrophobicContact CD2-CZ 3.62Å; L231-F262 HydrophobicContact CG-CZ 4.44Å; L231-F262 WeakPolarHBondContact O-CA 3.4Å
232	K	97	Very high	97.6	Very high	124 Å²	124	51 Å²	51	54%	0.539	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.6	-16.8	170.1	66.2	-179	177.1	172.6	0	114.7	K229 E230 G261 S263	K229-K232 WeakPolarHBondContact O-CE 3.17Å; E230-K232 PolarHBondContact O-N 3.02Å; K232-G261 VanDerWaalsContact CA-O 3.26Å; K232-G261 WeakPolarHBondContact CA-O 3.43Å; K232-G261 PolarHBondContact N-O 3.08Å; K232-G261 VanDerWaalsContact N-O 3.12Å; K232-S263 WeakPolarHBondContact O-CB 3.32Å
233	Y	96.6	Very high	97.4	Very high	143 Å²	143	47.7 Å²	47.7	56%	0.561	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-96	-12.7	173.1	-54.9	-62	0	0	0	112.3	E230 L231	E230-Y233 HydrophobicContact CB-CD2 4.07Å; E230-Y233 HydrophobicContact CG-CD2 4.34Å; E230-Y233 HydrophobicContact CG-CE2 4.39Å; E230-Y233 WeakPolarHBondContact O-CB 3.34Å; E230-Y233 WeakPolarHBondContact O-CD2 3.41Å; E230-Y233 PolarHBondContact O-N 3.13Å; L231-Y233 PolarHBondContact O-N 3.35Å; L231-Y233 VanDerWaalsContact O-N 3.14Å
234	Y	98.1	Very high	97.2	Very high	19 Å²	19	44.7 Å²	44.7	8%	0.075	21%	0.205	C	C	.	.			trans	-97.4	152.9	179.5	-70.6	-94.4	0	0	0	111	F51 I53 I226 E230 L231 S263	F51-Y234 HydrophobicContact CB-CD1 4.33Å; F51-Y234 HydrophobicContact CD1-CD1 4.37Å; F51-Y234 HydrophobicContact CD1-CE1 4.01Å; F51-Y234 HydrophobicContact CD1-CE2 4.33Å; F51-Y234 AromaticContact CD1-CZ 3.99Å; F51-Y234 CarbonylContact O-C 3.22Å; F51-Y234 VanDerWaalsContact O-CA 3.3Å; F51-Y234 WeakPolarHBondContact O-CA 3.35Å; I53-Y234 HydrophobicContact CD1-CD1 3.88Å; I53-Y234 HydrophobicContact CD1-CE1 4.14Å; I53-Y234 HydrophobicContact CG1-CD1 3.82Å; I53-Y234 HydrophobicContact CG1-CG 4.39Å; I226-Y234 HydrophobicContact CD1-CD1 4.34Å; I226-Y234 HydrophobicContact CD1-CE1 3.73Å; I226-Y234 HydrophobicContact CD1-CE2 4.32Å; I226-Y234 HydrophobicContact CG1-CE2 4.46Å; I226-Y234 HydrophobicContact CG2-CD2 4.09Å; I226-Y234 HydrophobicContact CG2-CE2 3.61Å; E230-Y234 WeakPolarHBondContact O-CD2 3.48Å; L231-Y234 HydrophobicContact CD2-CD2 4.44Å; L231-Y234 WeakPolarHBondContact O-CA 3.5Å; L231-Y234 PolarHBondContact O-N 3.44Å; Y234-S263 PolarHBondContact O-N 2.95Å; Y234-S263 PolarHBondContact O-OG 2.99Å
235	R	97.9	Very high	97	Very high	55 Å²	55	47.5 Å²	47.5	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	159.8	165.7	-51.6	177.5	-168.8	-170.4	7.2	108.2	F51 V52 I53 S263 A264 W622	F51-R235 PolarHBondContact O-N 2.8Å; V52-R235 CarbonylContact C-O 3.55Å; V52-R235 WeakPolarHBondContact CA-O 3.39Å; I53-R235 PolarHBondContact N-O 3.22Å; R235-S263 WeakPolarHBondContact CG-OG 3.48Å; R235-A264 CarbonylContact C-O 3.25Å; R235-A264 VanDerWaalsContact CA-O 3.29Å; R235-A264 WeakPolarHBondContact CA-O 3.38Å; R235-A264 HydrophobicContact CB-CB 4.32Å; R235-A264 HydrophobicContact CG-CB 3.99Å; R235-W622 HydrophobicContact CB-CE3 3.89Å; R235-W622 HydrophobicContact CB-CH2 3.69Å; R235-W622 HydrophobicContact CB-CZ2 4.46Å; R235-W622 HydrophobicContact CB-CZ3 3.37Å; R235-W622 HydrophobicContact CG-CE3 4.4Å; R235-W622 HydrophobicContact CG-CZ3 4.3Å
236	C	97.9	Very high	96.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.8	178.2	62.2	0	0	0	0	113.4	I53 I55 F262 A264 I265 I266 W622	I53-C236 CarbonylContact O-C 3.34Å; I53-C236 WeakPolarHBondContact O-CA 3.33Å; I55-C236 HydrophobicContact CD1-CB 4.33Å; C236-F262 HydrophobicContact CB-CD1 3.83Å; C236-F262 HydrophobicContact CB-CD2 4.42Å; C236-F262 HydrophobicContact CB-CE1 3.86Å; C236-F262 HydrophobicContact CB-CE2 4.45Å; C236-F262 HydrophobicContact CB-CG 4.11Å; C236-F262 HydrophobicContact CB-CZ 4.19Å; C236-A264 PolarHBondContact N-O 3.49Å; C236-I265 CarbonylContact O-C 3.59Å; C236-I265 WeakPolarHBondContact O-CA 3.27Å; C236-I265 VanDerWaalsContact SG-CG1 3.52Å; C236-I266 PolarHBondContact O-N 2.84Å; C236-W622 WeakPolarHBondContact O-CZ3 3.49Å
237	I	98.6	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.7	167	-62.2	-178.4	0	0	0	107.2	V52 I53 V54 I55 L239 I266 G609 L612 A613 W622	V52-I237 HydrophobicContact CG1-CD1 3.86Å; V52-I237 HydrophobicContact CG1-CG1 3.8Å; I53-I237 PolarHBondContact O-N 2.84Å; V54-I237 WeakPolarHBondContact CA-O 3.37Å; V54-I237 HydrophobicContact CG2-CB 4.35Å; I55-I237 PolarHBondContact N-O 2.85Å; I237-L239 HydrophobicContact CG2-CD1 4.04Å; I237-I266 CarbonylContact C-O 3.55Å; I237-I266 WeakPolarHBondContact CA-O 3.39Å; I237-I266 HydrophobicContact CG1-CB 4.25Å; I237-G609 VanDerWaalsContact CD1-O 3.24Å; I237-G609 WeakPolarHBondContact CD1-O 3.35Å; I237-L612 HydrophobicContact CD1-CB 4.46Å; I237-L612 HydrophobicContact CD1-CD2 4.5Å; I237-L612 HydrophobicContact CD1-CG 4.4Å; I237-L612 HydrophobicContact CG2-CD2 4.13Å; I237-A613 HydrophobicContact CD1-CB 3.62Å; I237-W622 HydrophobicContact CD1-CH2 4.35Å; I237-W622 HydrophobicContact CG1-CH2 3.86Å; I237-W622 HydrophobicContact CG1-CZ3 4.39Å
238	L	98.7	Very high	96.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118.7	177.5	177.1	66.6	0	0	0	109.6	I55 P57 W216 V240 I252 L256 I265 I266 V267 H268	I55-L238 HydrophobicContact CB-CD1 4.39Å; I55-L238 HydrophobicContact CG2-CD1 4.41Å; P57-L238 HydrophobicContact CG-CD1 4.43Å; W216-L238 HydrophobicContact CH2-CD1 4.15Å; W216-L238 HydrophobicContact CZ3-CD1 4.5Å; L238-V240 HydrophobicContact CD2-CG1 4.05Å; L238-V240 HydrophobicContact CG-CG1 4.03Å; L238-I252 HydrophobicContact CD1-CG2 4.34Å; L238-I252 HydrophobicContact CD2-CB 4.37Å; L238-I252 HydrophobicContact CD2-CG2 3.58Å; L238-L256 HydrophobicContact CB-CD1 4.42Å; L238-L256 HydrophobicContact CD1-CD1 4.44Å; L238-L256 HydrophobicContact CD2-CD1 4.16Å; L238-I265 HydrophobicContact CB-CD1 4.08Å; L238-I265 HydrophobicContact CB-CG1 4.46Å; L238-I265 HydrophobicContact CD2-CD1 4.37Å; L238-I266 PolarHBondContact N-O 3.1Å; L238-V267 HydrophobicContact CD2-CG2 4.43Å; L238-V267 WeakPolarHBondContact O-CA 3.37Å; L238-H268 PolarHBondContact O-N 3Å
239	L	98.7	Very high	96.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.7	168.1	-87.8	66	0	0	0	110.1	V54 I55 H56 P57 I237 H268 C273 S605	V54-L239 HydrophobicContact CG1-CD1 4.09Å; I55-L239 PolarHBondContact O-N 3.49Å; H56-L239 HydrophobicContact CB-CB 4.18Å; H56-L239 HydrophobicContact CB-CD2 3.99Å; P57-L239 WeakPolarHBondContact CD-O 3.35Å; I237-L239 HydrophobicContact CG2-CD1 4.04Å; L239-H268 CarbonylContact C-O 3.57Å; L239-H268 VanDerWaalsContact CA-O 3.32Å; L239-H268 WeakPolarHBondContact CA-O 3.48Å; L239-C273 HydrophobicContact CD2-CB 3.78Å; L239-C273 HydrophobicContact CG-CB 4.11Å; L239-S605 WeakPolarHBondContact CD2-O 3.3Å
240	V	97.8	Very high	96.3	Very high	6 Å²	6	36 Å²	36	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	156.2	177.3	-62.9	0	0	0	0	111.4	L238 Y244 V249 V267 H268 Q269 E270 F642	L238-V240 HydrophobicContact CD2-CG1 4.05Å; L238-V240 HydrophobicContact CG-CG1 4.03Å; V240-Y244 HydrophobicContact CG2-CD1 4.49Å; V240-V249 HydrophobicContact CB-CG2 4.34Å; V240-V249 HydrophobicContact CG1-CG1 4.37Å; V240-V249 HydrophobicContact CG1-CG2 3.85Å; V240-V267 HydrophobicContact CB-CG1 4.32Å; V240-V267 HydrophobicContact CG1-CG1 3.56Å; V240-V267 HydrophobicContact CG2-CG1 3.75Å; V240-H268 PolarHBondContact N-O 2.69Å; V240-Q269 CarbonylContact O-C 3.51Å; V240-Q269 WeakPolarHBondContact O-CA 3.5Å; V240-E270 PolarHBondContact O-N 2.88Å; V240-F642 HydrophobicContact CG2-CZ 4.38Å
241	P	97.2	Very high	96.4	Very high	28 Å²	28	34.9 Å²	34.9	18%	0.182	16%	0.155	C	C	.	.			trans	-58.6	155	175	-22.6	32.8	0	0	0	113	G193 I243 Y244	G193-P241 VanDerWaalsContact O-CG 3.29Å; G193-P241 WeakPolarHBondContact O-CG 3.49Å; P241-I243 VanDerWaalsContact C-N 3.27Å; P241-I243 PolarHBondContact O-N 2.8Å; P241-Y244 WeakPolarHBondContact O-CD1 3.28Å
242	D	95.4	Very high	96.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	16%	0.159	C	C	.	.	S	Bend	trans	-62.8	-36.2	177.2	-62.6	-31.9	0	0	0	112.9	Q269 S271 C296 R308	D242-Q269 PolarHBondContact O-NE2 3.07Å; D242-S271 WeakPolarHBondContact OD1-CB 3.46Å; D242-S271 PolarHBondContact OD1-N 3.2Å; D242-S271 PolarHBondContact OD1-OG 2.93Å; D242-S271 VanDerWaalsContact OD2-CB 3.28Å; D242-S271 WeakPolarHBondContact OD2-CB 3.44Å; D242-S271 PolarHBondContact OD2-OG 2.82Å; D242-C296 PolarHBondContact OD2-SG 2.95Å; D242-C296 VanDerWaalsContact OD2-SG 3.36Å; D242-R308 PolarHBondContact O-NH1 2.95Å
243	I	94.6	Very high	96.5	Very high	29 Å²	29	29.8 Å²	29.8	15%	0.149	13%	0.133	C	C	.	.	S	Bend	trans	-106.2	91.8	168.7	-55.2	178.5	0	0	0	107	Q194 P241 R308 C310 Q413	Q194-I243 PolarHBondContact NE2-O 3.23Å; Q194-I243 VanDerWaalsContact NE2-O 3.16Å; P241-I243 VanDerWaalsContact C-N 3.27Å; P241-I243 PolarHBondContact O-N 2.8Å; I243-R308 HydrophobicContact CD1-CB 4.13Å; I243-R308 HydrophobicContact CG1-CB 3.94Å; I243-C310 HydrophobicContact CD1-CB 3.97Å; I243-Q413 HydrophobicContact CG1-CB 4.38Å
244	Y	92.7	Very high	96.6	Very high	21 Å²	21	25.4 Å²	25.4	8%	0.082	12%	0.12	C	C	.	.			trans	-98.3	152	-177.4	55.2	-91.4	0	0	0	111.8	V240 P241 R246 V249 F642 V643 W644	V240-Y244 HydrophobicContact CG2-CD1 4.49Å; P241-Y244 WeakPolarHBondContact O-CD1 3.28Å; Y244-R246 HydrophobicContact CD2-CG 4.29Å; Y244-R246 HydrophobicContact CE2-CG 3.86Å; Y244-V249 HydrophobicContact CD2-CG2 4.33Å; Y244-V249 HydrophobicContact CG-CG2 4.47Å; Y244-F642 HydrophobicContact CD1-CE2 4.33Å; Y244-F642 AromaticContact CE1-CD2 3.83Å; Y244-F642 HydrophobicContact CE1-CD2 3.83Å; Y244-F642 AromaticContact CE1-CE2 3.43Å; Y244-F642 HydrophobicContact CE1-CE2 3.43Å; Y244-F642 VanDerWaalsContact CE1-CE2 3.43Å; Y244-F642 HydrophobicContact CE1-CZ 4.13Å; Y244-F642 HydrophobicContact CE2-CE2 4.09Å; Y244-F642 AromaticContact CZ-CD2 3.86Å; Y244-F642 AromaticContact CZ-CE2 3.3Å; Y244-F642 WeakPolarHBondContact OH-CD2 3.48Å; Y244-F642 WeakPolarHBondContact OH-CE2 3.27Å; Y244-V643 PolarHBondContact OH-O 3.32Å; Y244-W644 HydrophobicContact CD2-CZ3 4.13Å; Y244-W644 AromaticContact CE2-CE3 3.82Å; Y244-W644 HydrophobicContact CE2-CE3 3.82Å; Y244-W644 HydrophobicContact CE2-CH2 4.43Å; Y244-W644 AromaticContact CE2-CZ3 3.75Å; Y244-W644 HydrophobicContact CE2-CZ3 3.75Å; Y244-W644 PolarHBondContact OH-O 3.23Å; Y244-W644 VanDerWaalsContact OH-O 3.08Å
245	N	92.9	Very high	96.6	Very high	63 Å²	63	24.7 Å²	24.7	34%	0.337	12%	0.117	S	C	.	.			trans	-87.4	114.2	167.3	-179.6	-41.1	0	0	0	109.1	Q247 H248 V249	N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 3.28Å; N245-Q247 WeakPolarHBondContact OD1-CA 3.24Å; N245-Q247 WeakPolarHBondContact OD1-CB 3.14Å; N245-Q247 PolarHBondContact OD1-N 3.16Å; N245-H248 HydrophobicContact CB-CB 3.99Å; N245-H248 PolarHBondContact O-N 3.16Å; N245-H248 VanDerWaalsContact O-N 3.13Å; N245-H248 PolarHBondContact OD1-N 3Å; N245-H248 VanDerWaalsContact OD1-N 3.12Å; N245-V249 PolarHBondContact O-N 2.8Å
246	R	92.2	Very high	96.6	Very high	64 Å²	64	22.1 Å²	22.1	24%	0.242	11%	0.107	C	C	.	.	H	α-helix	trans	-53.9	-42.2	-178.9	-74.6	-179.2	175.7	179.4	0.4	112.8	Y244 V249 K250 S416 D425 W644	Y244-R246 HydrophobicContact CD2-CG 4.29Å; Y244-R246 HydrophobicContact CE2-CG 3.86Å; R246-V249 PolarHBondContact O-N 2.96Å; R246-K250 WeakPolarHBondContact O-CB 3.34Å; R246-K250 PolarHBondContact O-N 2.95Å; R246-S416 PolarHBondContact NH1-OG 3.29Å; R246-D425 IonicContact NH1-OD2 3.95Å; R246-W644 HydrophobicContact CB-CH2 3.98Å; R246-W644 HydrophobicContact CB-CZ2 3.55Å; R246-W644 HydrophobicContact CG-CD2 4.36Å; R246-W644 HydrophobicContact CG-CH2 4.08Å; R246-W644 HydrophobicContact CG-CZ2 3.67Å; R246-W644 PolarHBondContact NE-O 2.59Å; R246-W644 PolarHBondContact NH2-O 3.32Å; R246-W644 PolarHBondContact NH2-OXT 3.27Å; R246-W644 WeakPolarHBondContact O-CH2 3.36Å
247	Q	92.6	Very high	96.6	Very high	62 Å²	62	22.1 Å²	22.1	29%	0.29	11%	0.107	S	C	.	.	H	α-helix	trans	-66.7	-42.5	179.5	179.1	56.5	19.1	0	0	111.1	N245 K250 E251	N245-Q247 VanDerWaalsContact C-N 3.28Å; N245-Q247 PolarHBondContact O-N 3.28Å; N245-Q247 WeakPolarHBondContact OD1-CA 3.24Å; N245-Q247 WeakPolarHBondContact OD1-CB 3.14Å; N245-Q247 PolarHBondContact OD1-N 3.16Å; Q247-K250 WeakPolarHBondContact O-CB 3.49Å; Q247-K250 PolarHBondContact O-N 3.41Å; Q247-E251 PolarHBondContact NE2-OE1 3.41Å; Q247-E251 WeakPolarHBondContact O-CG 3.49Å; Q247-E251 PolarHBondContact O-N 2.92Å; Q247-E251 VanDerWaalsContact O-N 3.08Å
248	H	95.6	Very high	96.5	Very high	32 Å²	32	25.2 Å²	25.2	15%	0.148	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-45.1	176.4	-64.1	174.2	0	0	0	112	L195 N245 K250 E251 I252	L195-H248 HydrophobicContact CD1-CB 3.71Å; L195-H248 HydrophobicContact CG-CB 4.04Å; N245-H248 HydrophobicContact CB-CB 3.99Å; N245-H248 PolarHBondContact O-N 3.16Å; N245-H248 VanDerWaalsContact O-N 3.13Å; N245-H248 PolarHBondContact OD1-N 3Å; N245-H248 VanDerWaalsContact OD1-N 3.12Å; H248-K250 VanDerWaalsContact C-N 3.34Å; H248-K250 PolarHBondContact O-N 2.81Å; H248-E251 PolarHBondContact O-N 3.49Å; H248-I252 VanDerWaalsContact O-CG1 3.26Å; H248-I252 WeakPolarHBondContact O-CG1 3.43Å; H248-I252 PolarHBondContact O-N 2.89Å
249	V	97.1	Very high	96.4	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.036	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-41.3	178	173.3	0	0	0	0	110.9	V240 Y244 N245 R246 E251 I252 V253 V267 W644	V240-V249 HydrophobicContact CB-CG2 4.34Å; V240-V249 HydrophobicContact CG1-CG1 4.37Å; V240-V249 HydrophobicContact CG1-CG2 3.85Å; Y244-V249 HydrophobicContact CD2-CG2 4.33Å; Y244-V249 HydrophobicContact CG-CG2 4.47Å; N245-V249 PolarHBondContact O-N 2.8Å; R246-V249 PolarHBondContact O-N 2.96Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.11Å; V249-I252 PolarHBondContact O-N 2.86Å; V249-V253 HydrophobicContact CG1-CG2 4.17Å; V249-V253 WeakPolarHBondContact O-CB 3.32Å; V249-V253 WeakPolarHBondContact O-CG2 3.41Å; V249-V253 PolarHBondContact O-N 3.08Å; V249-V267 HydrophobicContact CG1-CG1 4Å; V249-W644 HydrophobicContact CB-CH2 3.82Å; V249-W644 HydrophobicContact CB-CZ3 4.1Å; V249-W644 HydrophobicContact CG1-CH2 3.78Å; V249-W644 HydrophobicContact CG1-CZ3 3.73Å
250	K	96.6	Very high	96.4	Very high	28 Å²	28	30.1 Å²	30.1	12%	0.122	15%	0.148	C	C	.	.	H	α-helix	trans	-52.2	-51.8	172.1	174.8	-174	93.2	-177.6	0	111.4	R246 Q247 H248 V253 N254 E421 W628 V633	R246-K250 WeakPolarHBondContact O-CB 3.34Å; R246-K250 PolarHBondContact O-N 2.95Å; Q247-K250 WeakPolarHBondContact O-CB 3.49Å; Q247-K250 PolarHBondContact O-N 3.41Å; H248-K250 VanDerWaalsContact C-N 3.34Å; H248-K250 PolarHBondContact O-N 2.81Å; K250-V253 PolarHBondContact O-N 3.25Å; K250-N254 WeakPolarHBondContact O-CB 3.07Å; K250-N254 PolarHBondContact O-N 2.93Å; K250-E421 IonicContact NZ-OE2 2.63Å; K250-E421 PolarHBondContact NZ-OE2 3.08Å; K250-W628 HydrophobicContact CG-CH2 4.13Å; K250-W628 HydrophobicContact CG-CZ2 4.12Å; K250-V633 HydrophobicContact CB-CG2 4.33Å; K250-V633 HydrophobicContact CD-CG2 3.22Å; K250-V633 HydrophobicContact CG-CG2 3.59Å
251	E	98	Very high	96.4	Very high	45 Å²	45	30.7 Å²	30.7	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-35.7	-177	-63.3	-52.2	148.5	0	0	112.8	L205 L209 Q247 H248 V249 N254 M255	L205-E251 HydrophobicContact CD2-CG 4.16Å; L209-E251 HydrophobicContact CD1-CB 3.59Å; L209-E251 HydrophobicContact CD1-CG 4.14Å; L209-E251 HydrophobicContact CD2-CB 4.01Å; L209-E251 HydrophobicContact CG-CB 4.44Å; Q247-E251 PolarHBondContact NE2-OE1 3.41Å; Q247-E251 WeakPolarHBondContact O-CG 3.49Å; Q247-E251 PolarHBondContact O-N 2.92Å; Q247-E251 VanDerWaalsContact O-N 3.08Å; H248-E251 PolarHBondContact O-N 3.49Å; V249-E251 VanDerWaalsContact C-N 3.34Å; V249-E251 PolarHBondContact O-N 3.11Å; E251-N254 WeakPolarHBondContact O-CB 3.49Å; E251-N254 PolarHBondContact O-N 3.03Å; E251-M255 WeakPolarHBondContact O-CB 3.45Å; E251-M255 PolarHBondContact O-N 2.96Å
252	I	98.5	Very high	96.5	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.087	15%	0.146	C	C	.	.	H	α-helix	trans	-66.9	-43.4	175.5	-64.1	163.8	0	0	0	110.7	L195 L209 W216 L238 H248 V249 N254 M255 L256	L195-I252 HydrophobicContact CD1-CD1 4.47Å; L195-I252 HydrophobicContact CD2-CD1 4.18Å; L209-I252 HydrophobicContact CD2-CG1 4.06Å; W216-I252 HydrophobicContact CH2-CG2 3.8Å; W216-I252 HydrophobicContact CZ3-CG2 3.84Å; L238-I252 HydrophobicContact CD1-CG2 4.34Å; L238-I252 HydrophobicContact CD2-CB 4.37Å; L238-I252 HydrophobicContact CD2-CG2 3.58Å; H248-I252 VanDerWaalsContact O-CG1 3.26Å; H248-I252 WeakPolarHBondContact O-CG1 3.43Å; H248-I252 PolarHBondContact O-N 2.89Å; V249-I252 PolarHBondContact O-N 2.86Å; I252-N254 VanDerWaalsContact C-N 3.28Å; I252-N254 PolarHBondContact O-N 2.88Å; I252-M255 HydrophobicContact CG2-CE 4.43Å; I252-M255 WeakPolarHBondContact O-CB 3.27Å; I252-M255 PolarHBondContact O-N 3.37Å; I252-L256 HydrophobicContact CG2-CD1 3.98Å; I252-L256 HydrophobicContact CG2-CG 4.47Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.67Å
253	V	98.4	Very high	96.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-44.2	174.3	169	0	0	0	0	110	V249 K250 L256 L257 I265 V267 W628 L636	V249-V253 HydrophobicContact CG1-CG2 4.17Å; V249-V253 WeakPolarHBondContact O-CB 3.32Å; V249-V253 WeakPolarHBondContact O-CG2 3.41Å; V249-V253 PolarHBondContact O-N 3.08Å; K250-V253 PolarHBondContact O-N 3.25Å; V253-L256 PolarHBondContact O-N 3.41Å; V253-L257 HydrophobicContact CG1-CD1 3.98Å; V253-L257 PolarHBondContact O-N 3.42Å; V253-I265 HydrophobicContact CG1-CG2 4.08Å; V253-I265 HydrophobicContact CG2-CD1 4.05Å; V253-V267 HydrophobicContact CG2-CG2 3.67Å; V253-W628 HydrophobicContact CB-CH2 4.17Å; V253-W628 HydrophobicContact CB-CZ2 4.11Å; V253-W628 HydrophobicContact CG1-CD2 3.8Å; V253-W628 HydrophobicContact CG1-CE3 3.83Å; V253-W628 HydrophobicContact CG1-CH2 3.74Å; V253-W628 HydrophobicContact CG1-CZ2 3.71Å; V253-W628 HydrophobicContact CG1-CZ3 3.81Å; V253-L636 HydrophobicContact CG2-CD1 4.47Å; V253-L636 HydrophobicContact CG2-CD2 4.39Å
254	N	98.4	Very high	96.7	Very high	52 Å²	52	29.2 Å²	29.2	28%	0.278	15%	0.148	S	C	.	.	H	α-helix	trans	-60.9	-46.3	176.4	-171.8	63.1	0	0	0	112.3	K250 E251 I252 L256 H258 W628	K250-N254 WeakPolarHBondContact O-CB 3.07Å; K250-N254 PolarHBondContact O-N 2.93Å; E251-N254 WeakPolarHBondContact O-CB 3.49Å; E251-N254 PolarHBondContact O-N 3.03Å; I252-N254 VanDerWaalsContact C-N 3.28Å; I252-N254 PolarHBondContact O-N 2.88Å; N254-L256 PolarHBondContact O-N 3.16Å; N254-H258 WeakPolarHBondContact O-CB 3.3Å; N254-H258 PolarHBondContact O-N 2.88Å; N254-H258 PolarHBondContact OD1-ND1 2.99Å; N254-W628 HydrophobicContact CB-CZ2 4.28Å; N254-W628 PolarHBondContact OD1-NE1 2.64Å
255	M	98.6	Very high	97	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.02	14%	0.144	C	C	.	.	I	π-helix	trans	-59	-46	176	-179	-162.8	77.8	0	0	111.9	L209 L212 E213 W216 E251 I252 N259 M260	L209-M255 HydrophobicContact CD2-SD 4.44Å; L209-M255 VanDerWaalsContact O-SD 3.41Å; L212-M255 HydrophobicContact CB-CE 4.34Å; L212-M255 HydrophobicContact CB-SD 4.1Å; E213-M255 HydrophobicContact CB-CG 4.02Å; E213-M255 HydrophobicContact CB-SD 3.7Å; E213-M255 HydrophobicContact CG-CG 4.21Å; E213-M255 HydrophobicContact CG-SD 4.47Å; W216-M255 HydrophobicContact CD2-CE 4.38Å; W216-M255 HydrophobicContact CE3-CE 3.47Å; W216-M255 VanDerWaalsContact CE3-CE 3.47Å; W216-M255 HydrophobicContact CH2-CE 4.3Å; W216-M255 HydrophobicContact CZ3-CE 3.43Å; W216-M255 VanDerWaalsContact CZ3-CE 3.43Å; E251-M255 WeakPolarHBondContact O-CB 3.45Å; E251-M255 PolarHBondContact O-N 2.96Å; I252-M255 HydrophobicContact CG2-CE 4.43Å; I252-M255 WeakPolarHBondContact O-CB 3.27Å; I252-M255 PolarHBondContact O-N 3.37Å; M255-N259 HydrophobicContact CG-CB 4.44Å; M255-N259 WeakPolarHBondContact O-CA 3.46Å; M255-N259 WeakPolarHBondContact O-CB 3.18Å; M255-N259 PolarHBondContact O-N 3.49Å; M255-N259 VanDerWaalsContact O-N 3.08Å; M255-M260 HydrophobicContact CE-SD 4.08Å; M255-M260 PolarHBondContact O-N 3.01Å
256	L	98.6	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	I	π-helix	trans	-65.7	-44.9	-179	-74.7	167.8	0	0	0	112.4	I55 W216 L238 I252 V253 N254 M260 G261 F262 I265	I55-L256 HydrophobicContact CD1-CD1 4.48Å; I55-L256 HydrophobicContact CD1-CD2 3.69Å; W216-L256 HydrophobicContact CE3-CD2 3.91Å; W216-L256 HydrophobicContact CZ3-CD1 4.11Å; W216-L256 HydrophobicContact CZ3-CD2 3.96Å; W216-L256 HydrophobicContact CZ3-CG 4.16Å; L238-L256 HydrophobicContact CB-CD1 4.42Å; L238-L256 HydrophobicContact CD1-CD1 4.44Å; L238-L256 HydrophobicContact CD2-CD1 4.16Å; I252-L256 HydrophobicContact CG2-CD1 3.98Å; I252-L256 HydrophobicContact CG2-CG 4.47Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.67Å; V253-L256 PolarHBondContact O-N 3.41Å; N254-L256 PolarHBondContact O-N 3.16Å; L256-M260 HydrophobicContact CD2-SD 3.72Å; L256-G261 PolarHBondContact O-N 3.29Å; L256-F262 HydrophobicContact CB-CD2 4.34Å; L256-F262 HydrophobicContact CD2-CD2 3.93Å; L256-F262 HydrophobicContact CD2-CE2 3.8Å; L256-F262 WeakPolarHBondContact O-CD2 3.4Å; L256-F262 PolarHBondContact O-N 2.82Å; L256-F262 VanDerWaalsContact O-N 3.07Å; L256-I265 HydrophobicContact CB-CD1 4.2Å; L256-I265 HydrophobicContact CD1-CD1 3.46Å; L256-I265 VanDerWaalsContact CD1-CD1 3.46Å; L256-I265 HydrophobicContact CG-CD1 4.47Å
257	L	98.4	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-79.3	-45.9	-177.4	-68.2	178	0	0	0	112.9	V253 G261 F262 I265 I623 Q625 W628	V253-L257 HydrophobicContact CG1-CD1 3.98Å; V253-L257 PolarHBondContact O-N 3.42Å; L257-G261 WeakPolarHBondContact O-CA 3.4Å; L257-F262 HydrophobicContact CD2-CB 4.49Å; L257-F262 WeakPolarHBondContact CD2-O 3.22Å; L257-I265 HydrophobicContact CD1-CG2 3.72Å; L257-I265 HydrophobicContact CD2-CB 4.13Å; L257-I265 HydrophobicContact CD2-CG2 3.94Å; L257-I265 HydrophobicContact CG-CB 4.45Å; L257-I265 HydrophobicContact CG-CG2 3.93Å; L257-I623 HydrophobicContact CD1-CG2 4.37Å; L257-Q625 HydrophobicContact CB-CG 4.47Å; L257-Q625 PolarHBondContact O-NE2 3.05Å; L257-W628 HydrophobicContact CD1-CB 3.44Å; L257-W628 VanDerWaalsContact CD1-CB 3.44Å; L257-W628 HydrophobicContact CD1-CD2 4.2Å; L257-W628 HydrophobicContact CD1-CG 3.53Å
258	H	96.3	Very high	97.8	Very high	66 Å²	66	19.7 Å²	19.7	31%	0.306	11%	0.105	S	C	.	.	I	π-helix	trans	-90.3	-49.4	-174.2	-73.9	106.6	0	0	0	113.2	N254 W628	N254-H258 WeakPolarHBondContact O-CB 3.3Å; N254-H258 PolarHBondContact O-N 2.88Å; N254-H258 PolarHBondContact OD1-ND1 2.99Å; H258-W628 AromaticContact CE1-CD1 3.28Å; H258-W628 AromaticContact CE1-NE1 3.86Å; H258-W628 AromaticContact ND1-CD1 3.4Å; H258-W628 AromaticContact ND1-NE1 3.74Å
259	N	96.8	Very high	97.9	Very high	93 Å²	93	18.2 Å²	18.2	50%	0.497	10%	0.099	S	C	.	.	I	π-helix	trans	-79.3	-50.8	-173.6	-60.5	22.7	0	0	0	111.2	E213 M255	E213-N259 WeakPolarHBondContact OE2-CB 3.45Å; E213-N259 PolarHBondContact OE2-ND2 3.47Å; M255-N259 HydrophobicContact CG-CB 4.44Å; M255-N259 WeakPolarHBondContact O-CA 3.46Å; M255-N259 WeakPolarHBondContact O-CB 3.18Å; M255-N259 PolarHBondContact O-N 3.49Å; M255-N259 VanDerWaalsContact O-N 3.08Å
260	M	98.3	Very high	97.9	Very high	13 Å²	13	18.4 Å²	18.4	6%	0.064	10%	0.099	C	C	.	.	S	Bend	trans	-79.8	-26.6	-179.4	-64	-177.6	68.6	0	0	112.7	E213 W216 I220 L231 M255 L256 F262	E213-M260 HydrophobicContact CG-CG 3.95Å; W216-M260 HydrophobicContact CB-CE 4.11Å; I220-M260 HydrophobicContact CD1-CE 3.58Å; L231-M260 HydrophobicContact CD1-CB 4.14Å; L231-M260 HydrophobicContact CD1-CE 4.23Å; L231-M260 WeakPolarHBondContact CD1-O 3.47Å; M255-M260 HydrophobicContact CE-SD 4.08Å; M255-M260 PolarHBondContact O-N 3.01Å; L256-M260 HydrophobicContact CD2-SD 3.72Å; M260-F262 HydrophobicContact CB-CD2 4.15Å; M260-F262 HydrophobicContact CB-CE2 4.34Å; M260-F262 HydrophobicContact CE-CE2 3.96Å; M260-F262 HydrophobicContact SD-CE2 4.49Å
261	G	97.6	Very high	98	Very high	17 Å²	17	17.1 Å²	17.1	18%	0.175	9%	0.094	C	C	.	.			trans	85.6	26.1	172.3	0	0	0	0	0	115.3	L231 K232 L256 L257	L231-G261 CarbonylContact C-O 3.24Å; L231-G261 VanDerWaalsContact C-O 3.25Å; K232-G261 VanDerWaalsContact CA-O 3.26Å; K232-G261 WeakPolarHBondContact CA-O 3.43Å; K232-G261 PolarHBondContact N-O 3.08Å; K232-G261 VanDerWaalsContact N-O 3.12Å; L256-G261 PolarHBondContact O-N 3.29Å; L257-G261 WeakPolarHBondContact O-CA 3.4Å
262	F	98.6	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.			trans	-61.6	142.6	169.1	-77.6	-83.7	0	0	0	111.2	I53 I220 L231 C236 L256 L257 M260	I53-F262 HydrophobicContact CB-CE1 4.08Å; I53-F262 HydrophobicContact CB-CZ 4.37Å; I53-F262 HydrophobicContact CG1-CE1 4Å; I53-F262 HydrophobicContact CG1-CZ 4.44Å; I220-F262 HydrophobicContact CD1-CE2 4.25Å; I220-F262 HydrophobicContact CD1-CZ 3.9Å; L231-F262 HydrophobicContact CD1-CD2 4.4Å; L231-F262 HydrophobicContact CD1-CE2 3.97Å; L231-F262 HydrophobicContact CD1-CZ 4.2Å; L231-F262 HydrophobicContact CD2-CD1 4.31Å; L231-F262 HydrophobicContact CD2-CE1 3.67Å; L231-F262 HydrophobicContact CD2-CE2 4.22Å; L231-F262 HydrophobicContact CD2-CZ 3.62Å; L231-F262 HydrophobicContact CG-CZ 4.44Å; L231-F262 WeakPolarHBondContact O-CA 3.4Å; C236-F262 HydrophobicContact CB-CD1 3.83Å; C236-F262 HydrophobicContact CB-CD2 4.42Å; C236-F262 HydrophobicContact CB-CE1 3.86Å; C236-F262 HydrophobicContact CB-CE2 4.45Å; C236-F262 HydrophobicContact CB-CG 4.11Å; C236-F262 HydrophobicContact CB-CZ 4.19Å; L256-F262 HydrophobicContact CB-CD2 4.34Å; L256-F262 HydrophobicContact CD2-CD2 3.93Å; L256-F262 HydrophobicContact CD2-CE2 3.8Å; L256-F262 WeakPolarHBondContact O-CD2 3.4Å; L256-F262 PolarHBondContact O-N 2.82Å; L256-F262 VanDerWaalsContact O-N 3.07Å; L257-F262 HydrophobicContact CD2-CB 4.49Å; L257-F262 WeakPolarHBondContact CD2-O 3.22Å; M260-F262 HydrophobicContact CB-CD2 4.15Å; M260-F262 HydrophobicContact CB-CE2 4.34Å; M260-F262 HydrophobicContact CE-CE2 3.96Å; M260-F262 HydrophobicContact SD-CE2 4.49Å
263	S	97.8	Very high	98	Very high	30 Å²	30	14.2 Å²	14.2	21%	0.21	8%	0.08	C	C	.	.	S	Bend	trans	-73	-32.6	-177.9	61.9	0	0	0	0	114	K232 Y234 R235 H624 Q625	K232-S263 WeakPolarHBondContact O-CB 3.32Å; Y234-S263 PolarHBondContact O-N 2.95Å; Y234-S263 PolarHBondContact O-OG 2.99Å; R235-S263 WeakPolarHBondContact CG-OG 3.48Å; S263-H624 WeakPolarHBondContact O-CA 3.48Å; S263-Q625 PolarHBondContact O-N 3.43Å
264	A	97.6	Very high	98	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	159.7	179	0	0	0	0	0	111.7	R235 C236 W622 I623	R235-A264 CarbonylContact C-O 3.25Å; R235-A264 VanDerWaalsContact CA-O 3.29Å; R235-A264 WeakPolarHBondContact CA-O 3.38Å; R235-A264 HydrophobicContact CB-CB 4.32Å; R235-A264 HydrophobicContact CG-CB 3.99Å; C236-A264 PolarHBondContact N-O 3.49Å; A264-W622 HydrophobicContact CB-CB 4.21Å; A264-W622 HydrophobicContact CB-CD2 4.39Å; A264-W622 HydrophobicContact CB-CE3 3.81Å; A264-I623 CarbonylContact C-O 3.56Å; A264-I623 WeakPolarHBondContact CA-O 3.3Å
265	I	98.3	Very high	98	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.1	178.8	-174	165.2	0	0	0	112.3	C236 L238 V253 L256 L257 V267 I623	C236-I265 CarbonylContact O-C 3.59Å; C236-I265 WeakPolarHBondContact O-CA 3.27Å; C236-I265 VanDerWaalsContact SG-CG1 3.52Å; L238-I265 HydrophobicContact CB-CD1 4.08Å; L238-I265 HydrophobicContact CB-CG1 4.46Å; L238-I265 HydrophobicContact CD2-CD1 4.37Å; V253-I265 HydrophobicContact CG1-CG2 4.08Å; V253-I265 HydrophobicContact CG2-CD1 4.05Å; L256-I265 HydrophobicContact CB-CD1 4.2Å; L256-I265 HydrophobicContact CD1-CD1 3.46Å; L256-I265 VanDerWaalsContact CD1-CD1 3.46Å; L256-I265 HydrophobicContact CG-CD1 4.47Å; L257-I265 HydrophobicContact CD1-CG2 3.72Å; L257-I265 HydrophobicContact CD2-CB 4.13Å; L257-I265 HydrophobicContact CD2-CG2 3.94Å; L257-I265 HydrophobicContact CG-CB 4.45Å; L257-I265 HydrophobicContact CG-CG2 3.93Å; I265-V267 HydrophobicContact CD1-CG2 4.24Å; I265-V267 HydrophobicContact CG1-CG2 4.23Å; I265-I623 HydrophobicContact CG2-CB 4Å; I265-I623 HydrophobicContact CG2-CG2 4.5Å; I265-I623 PolarHBondContact N-O 3.15Å; I265-I623 PolarHBondContact O-N 3.46Å
266	I	97.9	Very high	97.9	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139	160	-72.2	172.6	0	0	0	108.1	C236 I237 L238 L612 T618 M621 W622	C236-I266 PolarHBondContact O-N 2.84Å; I237-I266 CarbonylContact C-O 3.55Å; I237-I266 WeakPolarHBondContact CA-O 3.39Å; I237-I266 HydrophobicContact CG1-CB 4.25Å; L238-I266 PolarHBondContact N-O 3.1Å; I266-L612 HydrophobicContact CG2-CD2 4.01Å; I266-T618 HydrophobicContact CD1-CG2 3.19Å; I266-M621 HydrophobicContact CD1-CB 3.77Å; I266-M621 HydrophobicContact CG1-CB 3.89Å; I266-W622 HydrophobicContact CB-CE3 4.44Å; I266-W622 HydrophobicContact CB-CZ3 4.3Å; I266-W622 HydrophobicContact CD1-CD2 3.57Å; I266-W622 VanDerWaalsContact CD1-CE2 3.46Å; I266-W622 HydrophobicContact CD1-CE3 3.85Å; I266-W622 HydrophobicContact CD1-CG 4.08Å; I266-W622 HydrophobicContact CD1-CH2 3.94Å; I266-W622 HydrophobicContact CD1-CZ2 3.68Å; I266-W622 HydrophobicContact CD1-CZ3 4Å; I266-W622 HydrophobicContact CG1-CD2 3.74Å; I266-W622 HydrophobicContact CG1-CE3 3.59Å; I266-W622 HydrophobicContact CG1-CG 4.25Å; I266-W622 HydrophobicContact CG1-CH2 4.29Å; I266-W622 HydrophobicContact CG1-CZ2 4.44Å; I266-W622 HydrophobicContact CG1-CZ3 3.86Å
267	V	97.9	Very high	97.8	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.03	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.8	173.2	-176.4	0	0	0	0	107.9	L238 V240 V249 V253 I265 L636 F642	L238-V267 HydrophobicContact CD2-CG2 4.43Å; L238-V267 WeakPolarHBondContact O-CA 3.37Å; V240-V267 HydrophobicContact CB-CG1 4.32Å; V240-V267 HydrophobicContact CG1-CG1 3.56Å; V240-V267 HydrophobicContact CG2-CG1 3.75Å; V249-V267 HydrophobicContact CG1-CG1 4Å; V253-V267 HydrophobicContact CG2-CG2 3.67Å; I265-V267 HydrophobicContact CD1-CG2 4.24Å; I265-V267 HydrophobicContact CG1-CG2 4.23Å; V267-L636 HydrophobicContact CB-CD2 4.43Å; V267-L636 HydrophobicContact CG2-CD2 4.03Å; V267-F642 HydrophobicContact CG1-CE1 4.29Å; V267-F642 HydrophobicContact CG1-CZ 4.17Å; V267-F642 WeakPolarHBondContact O-CE1 3.32Å
268	H	97.6	Very high	97.8	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.023	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.9	179.7	-147.3	-54.4	0	0	0	112.3	L238 L239 V240 V272 L612 A641	L238-H268 PolarHBondContact O-N 3Å; L239-H268 CarbonylContact C-O 3.57Å; L239-H268 VanDerWaalsContact CA-O 3.32Å; L239-H268 WeakPolarHBondContact CA-O 3.48Å; V240-H268 PolarHBondContact N-O 2.69Å; H268-V272 VanDerWaalsContact CE1-CB 3.44Å; H268-V272 WeakPolarHBondContact CE1-CB 3.36Å; H268-V272 WeakPolarHBondContact CE1-CG1 3.5Å; H268-L612 HydrophobicContact CB-CD2 3.78Å; H268-A641 VanDerWaalsContact NE2-CB 3.3Å; H268-A641 WeakPolarHBondContact NE2-CB 3.43Å
269	Q	98	Very high	97.8	Very high	1 Å²	1	14 Å²	14	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.5	179.8	-56	-176.3	-80.6	0	0	112.1	V240 D242 S271 V272 C273 R308 F642	V240-Q269 CarbonylContact O-C 3.51Å; V240-Q269 WeakPolarHBondContact O-CA 3.5Å; D242-Q269 PolarHBondContact O-NE2 3.07Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 3.41Å; Q269-V272 HydrophobicContact CB-CG2 4.4Å; Q269-V272 PolarHBondContact O-N 2.86Å; Q269-C273 PolarHBondContact O-N 2.76Å; Q269-C273 PolarHBondContact O-SG 3.32Å; Q269-R308 VanDerWaalsContact NE2-NH1 3.14Å; Q269-F642 HydrophobicContact CG-CB 4.48Å; Q269-F642 HydrophobicContact CG-CD1 3.7Å; Q269-F642 HydrophobicContact CG-CD2 4.49Å; Q269-F642 HydrophobicContact CG-CE1 3.99Å; Q269-F642 HydrophobicContact CG-CG 3.96Å
270	E	97.8	Very high	97.7	Very high	9 Å²	9	11.8 Å²	11.8	4%	0.042	8%	0.081	C	C	.	.	H	α-helix	trans	-58.6	-33.8	-176.2	66.4	-173.1	176.7	0	0	113.6	V240 A274 K292 S294 S605	V240-E270 PolarHBondContact O-N 2.88Å; E270-A274 WeakPolarHBondContact O-CB 3.31Å; E270-A274 PolarHBondContact O-N 2.92Å; E270-K292 IonicContact OE1-NZ 3.54Å; E270-K292 PolarHBondContact OE1-NZ 2.79Å; E270-K292 IonicContact OE2-NZ 2.74Å; E270-K292 PolarHBondContact OE2-NZ 3.5Å; E270-S294 PolarHBondContact OE1-OG 3.16Å; E270-S605 PolarHBondContact O-OG 3.21Å
271	S	98	Very high	97.6	Very high	2 Å²	2	15 Å²	15	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-70.4	-41.7	177.7	55.4	0	0	0	0	113.4	D242 Q269 C273 A274 T275 C296	D242-S271 WeakPolarHBondContact OD1-CB 3.46Å; D242-S271 PolarHBondContact OD1-N 3.2Å; D242-S271 PolarHBondContact OD1-OG 2.93Å; D242-S271 VanDerWaalsContact OD2-CB 3.28Å; D242-S271 WeakPolarHBondContact OD2-CB 3.44Å; D242-S271 PolarHBondContact OD2-OG 2.82Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 3.41Å; S271-C273 VanDerWaalsContact C-N 3.33Å; S271-A274 WeakPolarHBondContact O-CA 3.16Å; S271-A274 VanDerWaalsContact O-CB 3.24Å; S271-A274 WeakPolarHBondContact O-CB 3.34Å; S271-A274 PolarHBondContact O-N 3.29Å; S271-T275 PolarHBondContact O-N 3Å; S271-C296 WeakPolarHBondContact CB-SG 3.19Å; S271-C296 PolarHBondContact OG-SG 3.05Å
272	V	98.3	Very high	97.5	Very high	1 Å²	1	15 Å²	15	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-69	-38.8	176.8	-178.6	0	0	0	0	110.1	H268 Q269 A274 T275 F276 V298 G301	H268-V272 VanDerWaalsContact CE1-CB 3.44Å; H268-V272 WeakPolarHBondContact CE1-CB 3.36Å; H268-V272 WeakPolarHBondContact CE1-CG1 3.5Å; Q269-V272 HydrophobicContact CB-CG2 4.4Å; Q269-V272 PolarHBondContact O-N 2.86Å; V272-A274 VanDerWaalsContact C-N 3.25Å; V272-A274 PolarHBondContact O-N 3.04Å; V272-T275 WeakPolarHBondContact CA-OG1 3.29Å; V272-T275 PolarHBondContact O-N 3.01Å; V272-T275 PolarHBondContact O-OG1 3.45Å; V272-F276 HydrophobicContact CG1-CD2 4.27Å; V272-F276 HydrophobicContact CG1-CE1 4.21Å; V272-F276 HydrophobicContact CG1-CE2 3.65Å; V272-F276 HydrophobicContact CG1-CZ 3.61Å; V272-F276 WeakPolarHBondContact O-CD2 3.45Å; V272-F276 WeakPolarHBondContact O-CG 3.43Å; V272-F276 PolarHBondContact O-N 3.07Å; V272-V298 HydrophobicContact CG2-CG1 4.07Å; V272-V298 HydrophobicContact CG2-CG2 4.29Å; V272-G301 VanDerWaalsContact CG1-O 3.3Å; V272-G301 WeakPolarHBondContact CG1-O 3.25Å
273	C	98.4	Very high	97.5	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-35.8	169.6	-64.3	0	0	0	0	110.9	L239 Q269 S271 T275 F276 G277 S605 G608	L239-C273 HydrophobicContact CD2-CB 3.78Å; L239-C273 HydrophobicContact CG-CB 4.11Å; Q269-C273 PolarHBondContact O-N 2.76Å; Q269-C273 PolarHBondContact O-SG 3.32Å; S271-C273 VanDerWaalsContact C-N 3.33Å; C273-T275 VanDerWaalsContact C-N 3.33Å; C273-T275 PolarHBondContact O-N 3.13Å; C273-F276 PolarHBondContact O-N 2.84Å; C273-G277 PolarHBondContact O-N 2.86Å; C273-S605 WeakPolarHBondContact CB-O 3.42Å; C273-G608 VanDerWaalsContact O-CA 3.25Å; C273-G608 WeakPolarHBondContact O-CA 3.41Å
274	A	98.4	Very high	97.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60	-42.7	174.4	0	0	0	0	0	112.1	E270 S271 V272 G277 S278 V285 L556 V558 I604	E270-A274 WeakPolarHBondContact O-CB 3.31Å; E270-A274 PolarHBondContact O-N 2.92Å; S271-A274 WeakPolarHBondContact O-CA 3.16Å; S271-A274 VanDerWaalsContact O-CB 3.24Å; S271-A274 WeakPolarHBondContact O-CB 3.34Å; S271-A274 PolarHBondContact O-N 3.29Å; V272-A274 VanDerWaalsContact C-N 3.25Å; V272-A274 PolarHBondContact O-N 3.04Å; A274-G277 PolarHBondContact O-N 3.28Å; A274-S278 PolarHBondContact O-N 3.3Å; A274-S278 PolarHBondContact O-OG 3.12Å; A274-V285 HydrophobicContact CB-CG1 3.85Å; A274-L556 HydrophobicContact CB-CD2 4.16Å; A274-V558 HydrophobicContact CB-CG1 4.09Å; A274-V558 HydrophobicContact CB-CG2 4.27Å; A274-I604 HydrophobicContact CB-CG2 4.44Å; A274-I604 VanDerWaalsContact O-CG2 3.28Å; A274-I604 WeakPolarHBondContact O-CG2 3.24Å
275	T	98.3	Very high	97.6	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-65.1	-39.9	177	53.2	0	0	0	0	112.7	S271 V272 C273 S278 G279 L280 A283 V285 V298	S271-T275 PolarHBondContact O-N 3Å; V272-T275 WeakPolarHBondContact CA-OG1 3.29Å; V272-T275 PolarHBondContact O-N 3.01Å; V272-T275 PolarHBondContact O-OG1 3.45Å; C273-T275 VanDerWaalsContact C-N 3.33Å; C273-T275 PolarHBondContact O-N 3.13Å; T275-S278 PolarHBondContact O-N 3.47Å; T275-S278 PolarHBondContact O-OG 2.95Å; T275-S278 VanDerWaalsContact O-OG 3.12Å; T275-G279 PolarHBondContact O-N 3.08Å; T275-L280 VanDerWaalsContact CB-O 3.31Å; T275-L280 WeakPolarHBondContact CB-O 3.26Å; T275-L280 PolarHBondContact O-N 3.36Å; T275-A283 HydrophobicContact CG2-CB 4.32Å; T275-V285 HydrophobicContact CG2-CG2 3.61Å; T275-V298 HydrophobicContact CG2-CB 3.78Å; T275-V298 HydrophobicContact CG2-CG1 3.77Å; T275-V298 HydrophobicContact CG2-CG2 4.27Å
276	F	97.3	Very high	97.6	Very high	51 Å²	51	13.6 Å²	13.6	22%	0.224	9%	0.092	C	C	.	.	H	α-helix	trans	-63.3	-42.4	172.6	-63.2	-28.4	0	0	0	112.1	V272 C273 S278 G279 V611 L612 L615	V272-F276 HydrophobicContact CG1-CD2 4.27Å; V272-F276 HydrophobicContact CG1-CE1 4.21Å; V272-F276 HydrophobicContact CG1-CE2 3.65Å; V272-F276 HydrophobicContact CG1-CZ 3.61Å; V272-F276 WeakPolarHBondContact O-CD2 3.45Å; V272-F276 WeakPolarHBondContact O-CG 3.43Å; V272-F276 PolarHBondContact O-N 3.07Å; C273-F276 PolarHBondContact O-N 2.84Å; F276-S278 PolarHBondContact O-N 2.96Å; F276-G279 PolarHBondContact O-N 3.37Å; F276-V611 HydrophobicContact CB-CG1 4.45Å; F276-L612 HydrophobicContact CD2-CB 4.36Å; F276-L612 HydrophobicContact CE2-CD1 4.02Å; F276-L615 HydrophobicContact CE2-CD1 4.47Å; F276-L615 HydrophobicContact CZ-CD1 4.4Å
277	G	97.1	Very high	97.7	Very high	7 Å²	7	14.3 Å²	14.3	7%	0.072	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-34	179.9	0	0	0	0	0	113.5	C273 A274 G608	C273-G277 PolarHBondContact O-N 2.86Å; A274-G277 PolarHBondContact O-N 3.28Å; G277-G608 VanDerWaalsContact N-CA 3.33Å
278	S	97.1	Very high	97.7	Very high	6 Å²	6	14.1 Å²	14.1	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-82.7	-22.8	175.5	66.2	0	0	0	0	112.9	A274 T275 F276 L280 K597	A274-S278 PolarHBondContact O-N 3.3Å; A274-S278 PolarHBondContact O-OG 3.12Å; T275-S278 PolarHBondContact O-N 3.47Å; T275-S278 PolarHBondContact O-OG 2.95Å; T275-S278 VanDerWaalsContact O-OG 3.12Å; F276-S278 PolarHBondContact O-N 2.96Å; S278-L280 WeakPolarHBondContact OG-CG 3.36Å; S278-L280 PolarHBondContact OG-N 3.46Å; S278-K597 WeakPolarHBondContact O-CE 3.28Å
279	G	96.1	Very high	97.7	Very high	53 Å²	53	14.6 Å²	14.6	55%	0.546	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	28.8	-172.8	0	0	0	0	0	113.3	T275 F276	T275-G279 PolarHBondContact O-N 3.08Å; F276-G279 PolarHBondContact O-N 3.37Å
280	L	96.3	Very high	97.7	Very high	46 Å²	46	15.9 Å²	15.9	24%	0.241	11%	0.108	C	C	.	.			trans	-100	131.6	174.4	-62.6	171.2	0	0	0	108.3	T275 S278 A283 L556 I593	T275-L280 VanDerWaalsContact CB-O 3.31Å; T275-L280 WeakPolarHBondContact CB-O 3.26Å; T275-L280 PolarHBondContact O-N 3.36Å; S278-L280 WeakPolarHBondContact OG-CG 3.36Å; S278-L280 PolarHBondContact OG-N 3.46Å; L280-A283 HydrophobicContact CB-CB 4.43Å; L280-A283 HydrophobicContact CD1-CB 4.1Å; L280-L556 HydrophobicContact CD1-CB 4.13Å; L280-L556 HydrophobicContact CD1-CD1 4.25Å; L280-L556 HydrophobicContact CD1-CD2 4.34Å; L280-L556 HydrophobicContact CD1-CG 4.45Å; L280-I593 HydrophobicContact CD1-CD1 3.87Å; L280-I593 HydrophobicContact CD2-CD1 4.32Å
281	S	94.6	Very high	97.8	Very high	79 Å²	79	15.9 Å²	15.9	55%	0.552	11%	0.108	S	C	*	.	S	Bend	trans	-79.7	-32.7	174.5	56	0	0	0	0	112.3	D300	S281-D300 PolarHBondContact O-N 3Å
282	S	96.7	Very high	97.7	Very high	17 Å²	17	16.6 Å²	16.6	12%	0.119	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	129.8	177.5	-42.6	0	0	0	0	111	V298 S554	S282-V298 CarbonylContact C-O 3.56Å; S282-V298 VanDerWaalsContact CA-O 3.23Å; S282-V298 WeakPolarHBondContact CA-O 3.5Å; S282-S554 PolarHBondContact O-OG 3.33Å
283	A	98.2	Very high	97.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	150.9	175.9	0	0	0	0	0	111.9	T275 L280 V285 V298 S554 L556	T275-A283 HydrophobicContact CG2-CB 4.32Å; L280-A283 HydrophobicContact CB-CB 4.43Å; L280-A283 HydrophobicContact CD1-CB 4.1Å; A283-V285 HydrophobicContact CB-CG2 4.47Å; A283-V285 PolarHBondContact O-N 2.99Å; A283-V298 PolarHBondContact N-O 3.47Å; A283-V298 PolarHBondContact O-N 3.21Å; A283-S554 WeakPolarHBondContact CA-O 3.29Å; A283-L556 HydrophobicContact CB-CB 4.09Å
284	C	98.6	Very high	97.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	107.8	158.6	-174.2	0	0	0	0	108.3	I539 M551 S554 I555 L556	C284-I539 HydrophobicContact CB-CD1 4.13Å; C284-I539 HydrophobicContact CB-CG1 4.12Å; C284-M551 HydrophobicContact CB-CB 4.21Å; C284-S554 PolarHBondContact N-O 2.96Å; C284-I555 HydrophobicContact CB-CG1 4.26Å; C284-I555 CarbonylContact O-C 3.51Å; C284-I555 WeakPolarHBondContact O-CA 3.41Å; C284-L556 PolarHBondContact O-N 2.73Å
285	V	98.8	Very high	97.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.5	-178.7	-175.5	0	0	0	0	109.7	A274 T275 A283 I295 C296 V298 L556 V558	A274-V285 HydrophobicContact CB-CG1 3.85Å; T275-V285 HydrophobicContact CG2-CG2 3.61Å; A283-V285 HydrophobicContact CB-CG2 4.47Å; A283-V285 PolarHBondContact O-N 2.99Å; V285-I295 VanDerWaalsContact O-CA 3.28Å; V285-I295 WeakPolarHBondContact O-CA 3.29Å; V285-C296 PolarHBondContact N-O 3.09Å; V285-C296 PolarHBondContact O-N 2.88Å; V285-V298 HydrophobicContact CG2-CB 4.4Å; V285-V298 HydrophobicContact CG2-CG2 3.93Å; V285-L556 CarbonylContact C-O 3.07Å; V285-L556 WeakPolarHBondContact CA-O 3.38Å; V285-L556 HydrophobicContact CG2-CD2 4.39Å; V285-V558 HydrophobicContact CG1-CG2 4.26Å
286	V	98.8	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	98.2	179.1	-177	0	0	0	0	108.3	V288 T293 S294 I295 L531 I535 I555 L556 V557 V558	V286-V288 HydrophobicContact CG1-CG2 3.99Å; V286-T293 HydrophobicContact CG1-CG2 4.48Å; V286-S294 CarbonylContact C-O 3.51Å; V286-S294 WeakPolarHBondContact CA-O 3.19Å; V286-I295 HydrophobicContact CG1-CG1 4.21Å; V286-I295 HydrophobicContact CG2-CG1 4.44Å; V286-I295 HydrophobicContact CG2-CG2 4.36Å; V286-L531 HydrophobicContact CG1-CD1 3.72Å; V286-I535 HydrophobicContact CG1-CD1 4.35Å; V286-I535 HydrophobicContact CG2-CD1 3.78Å; V286-I535 HydrophobicContact CG2-CG1 3.65Å; V286-I555 HydrophobicContact CG2-CG2 4.03Å; V286-L556 PolarHBondContact N-O 2.84Å; V286-V557 HydrophobicContact CB-CG2 4.29Å; V286-V557 CarbonylContact O-C 3.47Å; V286-V557 WeakPolarHBondContact O-CA 3.43Å; V286-V558 PolarHBondContact O-N 3.14Å
287	D	98.8	Very high	97.8	Very high	16 Å²	16	14.3 Å²	14.3	9%	0.086	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	103.8	175.9	175.1	20.8	0	0	0	110.4	K292 T293 S294 V558 G559	D287-K292 IonicContact OD2-NZ 3.03Å; D287-K292 PolarHBondContact OD2-NZ 3.11Å; D287-T293 CarbonylContact O-C 3.2Å; D287-T293 WeakPolarHBondContact O-CA 3.46Å; D287-S294 PolarHBondContact N-O 2.76Å; D287-S294 PolarHBondContact O-N 2.85Å; D287-V558 HydrophobicContact CB-CG2 3.56Å; D287-G559 WeakPolarHBondContact OD1-CA 3.41Å
288	V	98.8	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	101.3	174.7	-167.4	0	0	0	0	108.7	V286 T293 L396 L531 V558 G559 G560 G561 L562	V286-V288 HydrophobicContact CG1-CG2 3.99Å; V288-T293 HydrophobicContact CB-CG2 4.46Å; V288-T293 HydrophobicContact CG2-CG2 3.91Å; V288-L396 HydrophobicContact CG1-CD1 4.48Å; V288-L531 HydrophobicContact CG2-CD2 4.25Å; V288-V558 PolarHBondContact N-O 2.93Å; V288-G559 CarbonylContact O-C 3.5Å; V288-G559 WeakPolarHBondContact O-CA 3.41Å; V288-G560 PolarHBondContact O-N 2.74Å; V288-G560 VanDerWaalsContact O-N 3.17Å; V288-G561 WeakPolarHBondContact O-CA 3.46Å; V288-G561 PolarHBondContact O-N 2.68Å; V288-L562 HydrophobicContact CB-CB 4.07Å; V288-L562 HydrophobicContact CG1-CB 4.33Å; V288-L562 HydrophobicContact CG2-CB 3.95Å
289	G	98.3	Very high	97.8	Very high	15 Å²	15	14.9 Å²	14.9	16%	0.155	10%	0.102	C	C	.	.			trans	-88.2	-169.1	176.8	0	0	0	0	0	113.7	K292 G314 G315	G289-K292 WeakPolarHBondContact CA-O 3.4Å; G289-K292 PolarHBondContact N-O 2.98Å; G289-G314 WeakPolarHBondContact O-CA 3.47Å; G289-G315 PolarHBondContact O-N 3.37Å
290	D	98.3	Very high	97.7	Very high	29 Å²	29	17.9 Å²	17.9	16%	0.155	11%	0.105	C	C	.	.	S	Bend	trans	-70.1	-37.3	173.9	-178.2	60.7	0	0	0	112.2	R60 G314 G315 S316	R60-D290 HydrophobicContact CB-CB 4.32Å; R60-D290 HydrophobicContact CG-CB 3.73Å; R60-D290 VanDerWaalsContact CG-CG 3.47Å; R60-D290 WeakPolarHBondContact CG-OD2 3.44Å; R60-D290 IonicContact NE-OD2 3.4Å; R60-D290 PolarHBondContact NE-OD2 3.45Å; D290-G314 CarbonylContact O-C 3.47Å; D290-G314 VanDerWaalsContact O-C 3.22Å; D290-G314 WeakPolarHBondContact O-CA 3.3Å; D290-G315 PolarHBondContact O-N 3.24Å; D290-S316 WeakPolarHBondContact O-CB 3.45Å; D290-S316 PolarHBondContact O-N 3.28Å; D290-S316 PolarHBondContact O-OG 3.21Å; D290-S316 WeakPolarHBondContact OD1-CB 3.32Å; D290-S316 PolarHBondContact OD1-N 3.16Å; D290-S316 VanDerWaalsContact OD1-N 3.16Å; D290-S316 WeakPolarHBondContact OD2-CB 3.37Å
291	Q	98.1	Very high	97.5	Very high	9 Å²	9	16.6 Å²	16.6	4%	0.042	10%	0.103	C	C	.	.	S	Bend	trans	-126.6	-14	-171.5	-58.4	-163.6	-54.1	0	0	115.1	S59 R192 A312 Y313	S59-Q291 VanDerWaalsContact CB-OE1 3.23Å; S59-Q291 PolarHBondContact OG-OE1 3.21Å; R192-Q291 HydrophobicContact CB-CB 4.43Å; R192-Q291 HydrophobicContact CG-CB 3.86Å; Q291-A312 CarbonylContact O-C 3.54Å; Q291-Y313 CarbonylContact O-C 3.48Å; Q291-Y313 PolarHBondContact O-N 3.35Å
292	K	97.2	Very high	97.5	Very high	16 Å²	16	16.9 Å²	16.9	7%	0.07	10%	0.101	C	C	.	.			trans	-138.1	154.6	178.9	65.5	87.7	172.6	160.3	0	110	E270 D287 G289 S294 L311 Y313	E270-K292 IonicContact OE1-NZ 3.54Å; E270-K292 PolarHBondContact OE1-NZ 2.79Å; E270-K292 IonicContact OE2-NZ 2.74Å; E270-K292 PolarHBondContact OE2-NZ 3.5Å; D287-K292 IonicContact OD2-NZ 3.03Å; D287-K292 PolarHBondContact OD2-NZ 3.11Å; G289-K292 WeakPolarHBondContact CA-O 3.4Å; G289-K292 PolarHBondContact N-O 2.98Å; K292-S294 WeakPolarHBondContact CD-OG 3.21Å; K292-S294 PolarHBondContact NZ-OG 2.65Å; K292-L311 WeakPolarHBondContact CA-O 3.41Å; K292-Y313 CarbonylContact C-O 3.55Å; K292-Y313 VanDerWaalsContact C-O 3.24Å; K292-Y313 WeakPolarHBondContact CA-O 3.23Å
293	T	98.6	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	117.3	171.1	-57.1	0	0	0	0	109	V286 D287 V288 I295 C310 L311 Y313 L531	V286-T293 HydrophobicContact CG1-CG2 4.48Å; D287-T293 CarbonylContact O-C 3.2Å; D287-T293 WeakPolarHBondContact O-CA 3.46Å; V288-T293 HydrophobicContact CB-CG2 4.46Å; V288-T293 HydrophobicContact CG2-CG2 3.91Å; T293-I295 HydrophobicContact CG2-CG1 4.4Å; T293-C310 WeakPolarHBondContact O-CA 3.35Å; T293-L311 HydrophobicContact CG2-CD1 4.42Å; T293-L311 PolarHBondContact N-O 3.45Å; T293-L311 PolarHBondContact O-N 3.33Å; T293-Y313 PolarHBondContact N-O 3.09Å; T293-Y313 PolarHBondContact OG1-O 2.75Å; T293-L531 HydrophobicContact CG2-CD1 3.74Å
294	S	98.3	Very high	97.3	Very high	5 Å²	5	18.9 Å²	18.9	4%	0.035	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	139.5	175.2	-57.6	0	0	0	0	109.7	E270 V286 D287 K292	E270-S294 PolarHBondContact OE1-OG 3.16Å; V286-S294 CarbonylContact C-O 3.51Å; V286-S294 WeakPolarHBondContact CA-O 3.19Å; D287-S294 PolarHBondContact N-O 2.76Å; D287-S294 PolarHBondContact O-N 2.85Å; K292-S294 WeakPolarHBondContact CD-OG 3.21Å; K292-S294 PolarHBondContact NZ-OG 2.65Å
295	I	98.6	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.7	173.3	-56	160.8	0	0	0	108	V285 V286 T293 R308 L309 L311 L531 A534 I535	V285-I295 VanDerWaalsContact O-CA 3.28Å; V285-I295 WeakPolarHBondContact O-CA 3.29Å; V286-I295 HydrophobicContact CG1-CG1 4.21Å; V286-I295 HydrophobicContact CG2-CG1 4.44Å; V286-I295 HydrophobicContact CG2-CG2 4.36Å; T293-I295 HydrophobicContact CG2-CG1 4.4Å; I295-R308 WeakPolarHBondContact O-CA 3.3Å; I295-L309 HydrophobicContact CB-CB 4.25Å; I295-L309 PolarHBondContact N-O 2.94Å; I295-L309 PolarHBondContact O-N 2.92Å; I295-L311 HydrophobicContact CD1-CD1 4.02Å; I295-L531 HydrophobicContact CD1-CD1 4.05Å; I295-A534 HydrophobicContact CD1-CB 3.3Å; I295-I535 HydrophobicContact CD1-CG1 4.25Å; I295-I535 HydrophobicContact CG2-CG1 4.42Å
296	C	97.6	Very high	96.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.7	167.5	72.6	0	0	0	0	112	D242 S271 V285 S303 R308	D242-C296 PolarHBondContact OD2-SG 2.95Å; D242-C296 VanDerWaalsContact OD2-SG 3.36Å; S271-C296 WeakPolarHBondContact CB-SG 3.19Å; S271-C296 PolarHBondContact OG-SG 3.05Å; V285-C296 PolarHBondContact N-O 3.09Å; V285-C296 PolarHBondContact O-N 2.88Å; C296-S303 PolarHBondContact SG-OG 3.08Å; C296-S303 VanDerWaalsContact SG-OG 3.35Å; C296-R308 HydrophobicContact CB-CB 4.44Å; C296-R308 HydrophobicContact CB-CG 3.83Å
297	C	98.4	Very high	96.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124	173.4	-62.2	0	0	0	0	109.2	H304 S307 S538 C542 M551	C297-H304 PolarHBondContact O-CD2 2.6Å; C297-H304 PolarHBondContact O-N 3.21Å; C297-S307 PolarHBondContact N-OG 3.37Å; C297-S538 PolarHBondContact SG-OG 3.13Å; C297-S538 VanDerWaalsContact SG-OG 3.39Å; C297-C542 VanDerWaalsContact CB-SG 3.51Å; C297-C542 PolarHBondContact SG-SG 3.37Å; C297-M551 HydrophobicContact CB-CE 3.96Å; C297-M551 HydrophobicContact CB-CG 3.84Å; C297-M551 HydrophobicContact CB-SD 3.64Å
298	V	98.3	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	131.5	178.3	179.3	0	0	0	0	109	V272 T275 S282 A283 V285 V302 M551	V272-V298 HydrophobicContact CG2-CG1 4.07Å; V272-V298 HydrophobicContact CG2-CG2 4.29Å; T275-V298 HydrophobicContact CG2-CB 3.78Å; T275-V298 HydrophobicContact CG2-CG1 3.77Å; T275-V298 HydrophobicContact CG2-CG2 4.27Å; S282-V298 CarbonylContact C-O 3.56Å; S282-V298 VanDerWaalsContact CA-O 3.23Å; S282-V298 WeakPolarHBondContact CA-O 3.5Å; A283-V298 PolarHBondContact N-O 3.47Å; A283-V298 PolarHBondContact O-N 3.21Å; V285-V298 HydrophobicContact CG2-CB 4.4Å; V285-V298 HydrophobicContact CG2-CG2 3.93Å; V298-V302 VanDerWaalsContact CA-O 3.32Å; V298-V302 WeakPolarHBondContact CA-O 3.5Å; V298-M551 WeakPolarHBondContact O-CE 3.49Å
299	E	96.7	Very high	96.2	Very high	26 Å²	26	28.9 Å²	28.9	12%	0.121	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.4	174.8	-173.2	164.8	-155.8	0	0	108.7	G301 V302 H304 T547 K550 M551	E299-G301 VanDerWaalsContact C-N 3.29Å; E299-G301 PolarHBondContact O-N 3.45Å; E299-V302 PolarHBondContact N-O 3.17Å; E299-V302 WeakPolarHBondContact O-CB 3.33Å; E299-V302 PolarHBondContact O-N 3.24Å; E299-H304 WeakPolarHBondContact CB-NE2 3.33Å; E299-H304 IonicContact OE2-CE1 2.79Å; E299-H304 IonicContact OE2-NE2 2.75Å; E299-H304 PolarHBondContact OE2-NE2 3.29Å; E299-T547 VanDerWaalsContact OE2-CG2 3.26Å; E299-T547 WeakPolarHBondContact OE2-CG2 3.18Å; E299-T547 PolarHBondContact OE2-OG1 2.74Å; E299-K550 WeakPolarHBondContact OE1-CD 3.39Å; E299-K550 IonicContact OE1-NZ 3.8Å; E299-K550 PolarHBondContact OE1-NZ 2.99Å; E299-M551 HydrophobicContact CB-CE 3.98Å
300	D	93.4	Very high	96.1	Very high	115 Å²	115	29.2 Å²	29.2	62%	0.615	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	44.1	174.5	-56.9	-36.2	0	0	0	113.6	S281 V302	S281-D300 PolarHBondContact O-N 3Å; D300-V302 VanDerWaalsContact C-N 3.31Å; D300-V302 PolarHBondContact O-N 3.28Å
301	G	91.7	Very high	96.1	Very high	20 Å²	20	27.8 Å²	27.8	21%	0.206	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	5.1	179.8	0	0	0	0	0	114.7	V272 E299	V272-G301 VanDerWaalsContact CG1-O 3.3Å; V272-G301 WeakPolarHBondContact CG1-O 3.25Å; E299-G301 VanDerWaalsContact C-N 3.29Å; E299-G301 PolarHBondContact O-N 3.45Å
302	V	94.4	Very high	96	Very high	84 Å²	84	28 Å²	28	51%	0.509	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121.9	-178.5	-176.4	0	0	0	0	111	V298 E299 D300	V298-V302 VanDerWaalsContact CA-O 3.32Å; V298-V302 WeakPolarHBondContact CA-O 3.5Å; E299-V302 PolarHBondContact N-O 3.17Å; E299-V302 WeakPolarHBondContact O-CB 3.33Å; E299-V302 PolarHBondContact O-N 3.24Å; D300-V302 VanDerWaalsContact C-N 3.31Å; D300-V302 PolarHBondContact O-N 3.28Å
303	S	96.4	Very high	96.1	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	115.8	169.2	172.4	0	0	0	0	110.4	C296 R305 R308	C296-S303 PolarHBondContact SG-OG 3.08Å; C296-S303 VanDerWaalsContact SG-OG 3.35Å; S303-R305 PolarHBondContact O-N 2.89Å; S303-R308 PolarHBondContact O-NH2 2.93Å; S303-R308 PolarHBondContact OG-NE 3.24Å
304	H	94.8	Very high	96.1	Very high	56 Å²	56	27.3 Å²	27.3	26%	0.259	15%	0.147	S	C	.	.			trans	-67.3	113	-178.8	-71.4	-59.8	0	0	0	111.4	C297 E299 N306 S307	C297-H304 PolarHBondContact O-CD2 2.6Å; C297-H304 PolarHBondContact O-N 3.21Å; E299-H304 WeakPolarHBondContact CB-NE2 3.33Å; E299-H304 IonicContact OE2-CE1 2.79Å; E299-H304 IonicContact OE2-NE2 2.75Å; E299-H304 PolarHBondContact OE2-NE2 3.29Å; H304-N306 VanDerWaalsContact C-N 3.3Å; H304-N306 PolarHBondContact O-N 2.71Å; H304-S307 WeakPolarHBondContact O-CB 3.43Å; H304-S307 PolarHBondContact O-N 3.43Å; H304-S307 PolarHBondContact O-OG 3.26Å
305	R	91.9	Very high	96.1	Very high	95 Å²	95	27 Å²	27	36%	0.358	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-51.7	-43.7	-174.5	-72.7	179.8	169.9	-148.9	-7.3	113.9	S303 S307 R308 V643 W644	S303-R305 PolarHBondContact O-N 2.89Å; R305-S307 PolarHBondContact O-N 2.86Å; R305-R308 PolarHBondContact O-N 3.41Å; R305-V643 VanDerWaalsContact NH2-C 3.28Å; R305-V643 PolarHBondContact NH2-O 3.34Å; R305-W644 PolarHBondContact NH2-OXT 2.88Å
306	N	91.3	Very high	96.1	Very high	123 Å²	123	27.3 Å²	27.3	66%	0.658	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-68.4	-21.8	-177	-62.5	-14.7	0	0	0	113.2	H304 C541	H304-N306 VanDerWaalsContact C-N 3.3Å; H304-N306 PolarHBondContact O-N 2.71Å; N306-C541 HydrophobicContact CB-CB 4.34Å; N306-C541 WeakPolarHBondContact O-CB 3.44Å
307	S	95.4	Very high	96.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-85.2	-12.5	180	73.3	0	0	0	0	113.5	C297 H304 R305 L309 S538	C297-S307 PolarHBondContact N-OG 3.37Å; H304-S307 WeakPolarHBondContact O-CB 3.43Å; H304-S307 PolarHBondContact O-N 3.43Å; H304-S307 PolarHBondContact O-OG 3.26Å; R305-S307 PolarHBondContact O-N 2.86Å; S307-L309 PolarHBondContact O-N 3.39Å; S307-S538 WeakPolarHBondContact CB-O 3.23Å; S307-S538 WeakPolarHBondContact O-CB 3.33Å; S307-S538 PolarHBondContact O-OG 3.37Å
308	R	96.6	Very high	96.1	Very high	6 Å²	6	27.3 Å²	27.3	2%	0.023	15%	0.147	C	C	.	.			trans	-72.7	123.5	-170.5	-62.3	175.7	-170.7	175.8	4.2	111.9	D242 I243 Q269 I295 C296 S303 R305 Q413	D242-R308 PolarHBondContact O-NH1 2.95Å; I243-R308 HydrophobicContact CD1-CB 4.13Å; I243-R308 HydrophobicContact CG1-CB 3.94Å; Q269-R308 VanDerWaalsContact NE2-NH1 3.14Å; I295-R308 WeakPolarHBondContact O-CA 3.3Å; C296-R308 HydrophobicContact CB-CB 4.44Å; C296-R308 HydrophobicContact CB-CG 3.83Å; S303-R308 PolarHBondContact O-NH2 2.93Å; S303-R308 PolarHBondContact OG-NE 3.24Å; R305-R308 PolarHBondContact O-N 3.41Å; R308-Q413 HydrophobicContact CB-CB 4.19Å
309	L	95.7	Very high	96.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	137.6	174	-78.7	156.1	0	0	0	109.2	I295 S307 T410 L412 F524 A534 H537	I295-L309 HydrophobicContact CB-CB 4.25Å; I295-L309 PolarHBondContact N-O 2.94Å; I295-L309 PolarHBondContact O-N 2.92Å; S307-L309 PolarHBondContact O-N 3.39Å; L309-T410 HydrophobicContact CD2-CG2 3.81Å; L309-L412 HydrophobicContact CD2-CD2 3.34Å; L309-L412 HydrophobicContact CD2-CG 4.29Å; L309-L412 HydrophobicContact CG-CD2 3.94Å; L309-F524 HydrophobicContact CD2-CE1 4.45Å; L309-A534 HydrophobicContact CD1-CB 4.31Å; L309-A534 VanDerWaalsContact CD1-O 3.24Å; L309-A534 WeakPolarHBondContact CD1-O 3.25Å; L309-H537 HydrophobicContact CD1-CB 4.33Å
310	C	97	Very high	96.3	Very high	21 Å²	21	26.8 Å²	26.8	14%	0.142	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.1	167.1	179.8	0	0	0	0	109.2	I243 T293 S411	I243-C310 HydrophobicContact CD1-CB 3.97Å; T293-C310 WeakPolarHBondContact O-CA 3.35Å; C310-S411 PolarHBondContact N-O 3.06Å; C310-S411 PolarHBondContact O-N 3.46Å
311	L	97.5	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.4	178.1	-43.8	178.2	0	0	0	108.6	K292 T293 I295 Y313 M409 T410 L529 A534	K292-L311 WeakPolarHBondContact CA-O 3.41Å; T293-L311 HydrophobicContact CG2-CD1 4.42Å; T293-L311 PolarHBondContact N-O 3.45Å; T293-L311 PolarHBondContact O-N 3.33Å; I295-L311 HydrophobicContact CD1-CD1 4.02Å; L311-Y313 HydrophobicContact CB-CD1 4.03Å; L311-Y313 HydrophobicContact CB-CE1 3.67Å; L311-Y313 HydrophobicContact CD1-CE1 4Å; L311-Y313 HydrophobicContact CD1-CE2 4.46Å; L311-Y313 WeakPolarHBondContact CD1-OH 3.48Å; L311-Y313 HydrophobicContact CG-CE1 4.37Å; L311-Y313 PolarHBondContact O-N 2.96Å; L311-M409 WeakPolarHBondContact CA-O 3.32Å; L311-T410 HydrophobicContact CD2-CG2 3.96Å; L311-L529 HydrophobicContact CD2-CB 4.32Å; L311-A534 HydrophobicContact CD1-CB 3.75Å; L311-A534 HydrophobicContact CD2-CB 4.25Å
312	A	96.9	Very high	96.8	Very high	14 Å²	14	20.4 Å²	20.4	12%	0.116	11%	0.105	C	C	.	.	S	Bend	trans	-82.8	43.3	-175.6	0	0	0	0	0	112.4	R98 Q291 M409	R98-A312 PolarHBondContact NH1-O 3.04Å; R98-A312 PolarHBondContact NH2-O 3.38Å; Q291-A312 CarbonylContact O-C 3.54Å; A312-M409 PolarHBondContact N-O 3.14Å
313	Y	98.3	Very high	97	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.			trans	-145.7	157.8	172.4	63.1	-100.9	0	0	0	111.7	Q291 K292 T293 L311 D317 L396 P399 F402 M409 L529 L531	Q291-Y313 CarbonylContact O-C 3.48Å; Q291-Y313 PolarHBondContact O-N 3.35Å; K292-Y313 CarbonylContact C-O 3.55Å; K292-Y313 VanDerWaalsContact C-O 3.24Å; K292-Y313 WeakPolarHBondContact CA-O 3.23Å; T293-Y313 PolarHBondContact N-O 3.09Å; T293-Y313 PolarHBondContact OG1-O 2.75Å; L311-Y313 HydrophobicContact CB-CD1 4.03Å; L311-Y313 HydrophobicContact CB-CE1 3.67Å; L311-Y313 HydrophobicContact CD1-CE1 4Å; L311-Y313 HydrophobicContact CD1-CE2 4.46Å; L311-Y313 WeakPolarHBondContact CD1-OH 3.48Å; L311-Y313 HydrophobicContact CG-CE1 4.37Å; L311-Y313 PolarHBondContact O-N 2.96Å; Y313-D317 WeakPolarHBondContact CA-OD2 3.36Å; Y313-D317 WeakPolarHBondContact CB-OD2 3.5Å; Y313-L396 HydrophobicContact CD2-CD2 3.71Å; Y313-L396 HydrophobicContact CE2-CB 4.5Å; Y313-L396 HydrophobicContact CE2-CD2 3.77Å; Y313-L396 PolarHBondContact OH-O 3.23Å; Y313-P399 HydrophobicContact CD1-CB 4.04Å; Y313-P399 HydrophobicContact CE1-CB 3.74Å; Y313-P399 HydrophobicContact CE1-CG 4.06Å; Y313-F402 HydrophobicContact CD1-CE2 4.39Å; Y313-F402 AromaticContact CD2-CE2 3.7Å; Y313-F402 HydrophobicContact CD2-CE2 3.7Å; Y313-F402 HydrophobicContact CD2-CZ 4.38Å; Y313-F402 HydrophobicContact CE2-CE2 4.33Å; Y313-F402 HydrophobicContact CG-CD2 4.21Å; Y313-F402 AromaticContact CG-CE2 3.74Å; Y313-F402 HydrophobicContact CG-CE2 3.74Å; Y313-M409 HydrophobicContact CD1-CE 4.22Å; Y313-L529 WeakPolarHBondContact CE1-O 2.94Å; Y313-L529 PolarHBondContact OH-O 2.91Å; Y313-L531 PolarHBondContact OH-N 2.71Å
314	G	98.3	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.			trans	-164.7	-151.5	178.4	0	0	0	0	0	113.8	G289 D290 S316 D317 V318	G289-G314 WeakPolarHBondContact O-CA 3.47Å; D290-G314 CarbonylContact O-C 3.47Å; D290-G314 VanDerWaalsContact O-C 3.22Å; D290-G314 WeakPolarHBondContact O-CA 3.3Å; G314-S316 VanDerWaalsContact C-N 3.29Å; G314-S316 PolarHBondContact O-N 2.92Å; G314-D317 PolarHBondContact N-OD2 3.12Å; G314-D317 PolarHBondContact O-N 2.92Å; G314-V318 PolarHBondContact O-N 3.38Å
315	G	98.5	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-58.4	-30.9	-177.9	0	0	0	0	0	115.6	G289 D290 V318 T319	G289-G315 PolarHBondContact O-N 3.37Å; D290-G315 PolarHBondContact O-N 3.24Å; G315-V318 PolarHBondContact O-N 2.89Å; G315-T319 PolarHBondContact O-N 3.33Å; G315-T319 PolarHBondContact O-OG1 3.26Å
316	S	98.4	Very high	97.6	Very high	5 Å²	5	11.7 Å²	11.7	4%	0.035	6%	0.061	C	C	.	.	H	α-helix	trans	-67.8	-38.5	176	56.7	0	0	0	0	112.3	D290 G314 V318 T319 R320	D290-S316 WeakPolarHBondContact O-CB 3.45Å; D290-S316 PolarHBondContact O-N 3.28Å; D290-S316 PolarHBondContact O-OG 3.21Å; D290-S316 WeakPolarHBondContact OD1-CB 3.32Å; D290-S316 PolarHBondContact OD1-N 3.16Å; D290-S316 VanDerWaalsContact OD1-N 3.16Å; D290-S316 WeakPolarHBondContact OD2-CB 3.37Å; G314-S316 VanDerWaalsContact C-N 3.29Å; G314-S316 PolarHBondContact O-N 2.92Å; S316-V318 VanDerWaalsContact C-N 3.34Å; S316-T319 WeakPolarHBondContact O-CB 3.24Å; S316-T319 PolarHBondContact O-N 3.49Å; S316-R320 PolarHBondContact O-N 2.88Å
317	D	98.7	Very high	98	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.051	C	C	.	.	H	α-helix	trans	-69	-36.7	175.9	-58.3	-80.1	0	0	0	110.9	R98 Y313 G314 R320 I321 F402	R98-D317 WeakPolarHBondContact CD-OD1 3.45Å; R98-D317 IonicContact CZ-OD1 3.46Å; R98-D317 IonicContact NH1-OD1 3.39Å; R98-D317 PolarHBondContact NH1-OD1 3.13Å; R98-D317 IonicContact NH1-OD2 3.66Å; R98-D317 PolarHBondContact NH1-OD2 3.09Å; Y313-D317 WeakPolarHBondContact CA-OD2 3.36Å; Y313-D317 WeakPolarHBondContact CB-OD2 3.5Å; G314-D317 PolarHBondContact N-OD2 3.12Å; G314-D317 PolarHBondContact O-N 2.92Å; D317-R320 PolarHBondContact O-N 3.32Å; D317-R320 IonicContact OD1-NH2 2.88Å; D317-I321 PolarHBondContact O-N 3.06Å; D317-F402 HydrophobicContact CB-CD1 3.59Å; D317-F402 HydrophobicContact CB-CD2 4.26Å; D317-F402 HydrophobicContact CB-CE1 3.62Å; D317-F402 HydrophobicContact CB-CE2 4.26Å; D317-F402 HydrophobicContact CB-CG 3.96Å; D317-F402 HydrophobicContact CB-CZ 3.96Å
318	V	98.8	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.7	-45.2	170.6	179.1	0	0	0	0	110.8	G314 G315 S316 R320 I321 F322 K351 A392 P393 L396 F402 F564	G314-V318 PolarHBondContact O-N 3.38Å; G315-V318 PolarHBondContact O-N 2.89Å; S316-V318 VanDerWaalsContact C-N 3.34Å; V318-R320 VanDerWaalsContact C-N 3.31Å; V318-R320 PolarHBondContact O-N 3.49Å; V318-I321 PolarHBondContact O-N 3.15Å; V318-F322 WeakPolarHBondContact O-CB 3.43Å; V318-F322 PolarHBondContact O-N 3.16Å; V318-K351 HydrophobicContact CB-CD 4.37Å; V318-K351 HydrophobicContact CG1-CD 4.08Å; V318-K351 HydrophobicContact CG1-CG 4.1Å; V318-A392 HydrophobicContact CG1-CB 4.23Å; V318-P393 HydrophobicContact CG1-CG 4.49Å; V318-L396 HydrophobicContact CG2-CD1 4.09Å; V318-L396 HydrophobicContact CG2-CD2 3.75Å; V318-L396 HydrophobicContact CG2-CG 3.68Å; V318-F402 HydrophobicContact CG2-CE1 4.34Å; V318-F402 HydrophobicContact CG2-CZ 4.25Å; V318-F564 HydrophobicContact CG1-CZ 3.9Å
319	T	98.9	Very high	98.1	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-55.9	-47.1	176.3	-55.4	0	0	0	0	111.1	L96 G315 S316 F322 F323 L347 Q348 K351	L96-T319 HydrophobicContact CD1-CG2 3.73Å; L96-T319 HydrophobicContact CD2-CG2 4.12Å; G315-T319 PolarHBondContact O-N 3.33Å; G315-T319 PolarHBondContact O-OG1 3.26Å; S316-T319 WeakPolarHBondContact O-CB 3.24Å; S316-T319 PolarHBondContact O-N 3.49Å; T319-F322 PolarHBondContact O-N 3.2Å; T319-F323 PolarHBondContact O-N 3.23Å; T319-L347 VanDerWaalsContact CG2-C 3.46Å; T319-L347 HydrophobicContact CG2-CB 3.57Å; T319-Q348 HydrophobicContact CG2-CG 3.98Å; T319-K351 WeakPolarHBondContact OG1-CD 3.44Å
320	R	98.6	Very high	98.2	Very high	13 Å²	13	14.8 Å²	14.8	5%	0.049	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-41.7	-179.8	-178.7	179	56.9	85.4	2.8	112.4	L96 L101 S316 D317 V318 F323 W324 L338 F402	L96-R320 WeakPolarHBondContact O-CD 3.26Å; L101-R320 VanDerWaalsContact CD2-NH1 3.32Å; L101-R320 VanDerWaalsContact CD2-NH2 3.27Å; S316-R320 PolarHBondContact O-N 2.88Å; D317-R320 PolarHBondContact O-N 3.32Å; D317-R320 IonicContact OD1-NH2 2.88Å; V318-R320 VanDerWaalsContact C-N 3.31Å; V318-R320 PolarHBondContact O-N 3.49Å; R320-F323 PolarHBondContact O-N 2.87Å; R320-W324 PolarHBondContact O-N 3.31Å; R320-L338 HydrophobicContact CG-CD1 4Å; R320-F402 PolarHBondContact NH1-O 3.28Å; R320-F402 PolarHBondContact NH2-O 3.37Å
321	I	98.5	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69	-37.4	176	-71	-56.5	0	0	0	111.5	R110 D317 V318 F323 W324 L325 A392 T401 F402	R110-I321 HydrophobicContact CG-CD1 4.43Å; D317-I321 PolarHBondContact O-N 3.06Å; V318-I321 PolarHBondContact O-N 3.15Å; I321-F323 VanDerWaalsContact C-N 3.33Å; I321-F323 PolarHBondContact O-N 3.07Å; I321-W324 HydrophobicContact CD1-CE3 4.42Å; I321-W324 HydrophobicContact CG2-CE3 4.44Å; I321-W324 PolarHBondContact O-N 3.06Å; I321-L325 HydrophobicContact CG2-CD1 4.01Å; I321-L325 HydrophobicContact CG2-CG 4.37Å; I321-L325 WeakPolarHBondContact O-CG 3.5Å; I321-L325 PolarHBondContact O-N 3.32Å; I321-A392 HydrophobicContact CG2-CB 4.42Å; I321-T401 WeakPolarHBondContact CD1-O 3.44Å; I321-T401 HydrophobicContact CG2-CG2 4.11Å; I321-F402 HydrophobicContact CG1-CD1 3.55Å; I321-F402 HydrophobicContact CG1-CE1 4.12Å
322	F	98.8	Very high	98.3	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	7%	0.069	C	C	.	.	H	α-helix	trans	-59.1	-47.2	172.9	-171.3	-130	0	0	0	110.8	V318 T319 W324 L325 L326 L350 K351 F354 L385 E388 K389 A392	V318-F322 WeakPolarHBondContact O-CB 3.43Å; V318-F322 PolarHBondContact O-N 3.16Å; T319-F322 PolarHBondContact O-N 3.2Å; F322-W324 PolarHBondContact O-N 3.17Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 3.41Å; F322-L325 VanDerWaalsContact O-N 3.12Å; F322-L326 HydrophobicContact CD1-CD1 3.94Å; F322-L326 HydrophobicContact CD1-CG 4.35Å; F322-L326 HydrophobicContact CD2-CG 4.41Å; F322-L326 HydrophobicContact CE1-CD1 3.8Å; F322-L326 HydrophobicContact CE1-CD2 4.25Å; F322-L326 HydrophobicContact CE1-CG 4.2Å; F322-L326 HydrophobicContact CE2-CD2 4.03Å; F322-L326 HydrophobicContact CE2-CG 4.25Å; F322-L326 HydrophobicContact CG-CD1 4.47Å; F322-L326 HydrophobicContact CG-CG 4.46Å; F322-L326 HydrophobicContact CZ-CD1 4.21Å; F322-L326 HydrophobicContact CZ-CD2 3.81Å; F322-L326 HydrophobicContact CZ-CG 4.14Å; F322-L326 VanDerWaalsContact O-CG 3.28Å; F322-L326 WeakPolarHBondContact O-CG 3.47Å; F322-L326 PolarHBondContact O-N 3.04Å; F322-L350 HydrophobicContact CE1-CB 4.02Å; F322-K351 HydrophobicContact CD1-CB 4Å; F322-F354 HydrophobicContact CE1-CB 4.46Å; F322-F354 HydrophobicContact CE1-CD2 4.34Å; F322-F354 HydrophobicContact CZ-CB 3.98Å; F322-F354 HydrophobicContact CZ-CD2 4.21Å; F322-L385 HydrophobicContact CZ-CD1 4.18Å; F322-E388 HydrophobicContact CE2-CB 4.31Å; F322-K389 HydrophobicContact CE2-CG 4.41Å; F322-A392 HydrophobicContact CB-CB 3.66Å; F322-A392 HydrophobicContact CD2-CB 3.86Å; F322-A392 HydrophobicContact CG-CB 4.17Å
323	F	98.8	Very high	98.3	Very high	10 Å²	10	15.6 Å²	15.6	4%	0.044	7%	0.069	C	C	.	.	H	α-helix	trans	-56.7	-46.3	173.8	177.7	-122.9	0	0	0	113.2	T319 R320 I321 L325 L326 Q327 F331 C336 L338 L347	T319-F323 PolarHBondContact O-N 3.23Å; R320-F323 PolarHBondContact O-N 2.87Å; I321-F323 VanDerWaalsContact C-N 3.33Å; I321-F323 PolarHBondContact O-N 3.07Å; F323-L325 VanDerWaalsContact C-N 3.28Å; F323-L325 PolarHBondContact O-N 3.4Å; F323-L326 WeakPolarHBondContact O-CB 3.32Å; F323-L326 PolarHBondContact O-N 3.04Å; F323-Q327 HydrophobicContact CD2-CG 4.24Å; F323-Q327 HydrophobicContact CE1-CG 4.33Å; F323-Q327 HydrophobicContact CE2-CG 3.85Å; F323-Q327 HydrophobicContact CZ-CG 3.92Å; F323-Q327 WeakPolarHBondContact O-CG 3.45Å; F323-Q327 PolarHBondContact O-N 2.77Å; F323-F331 HydrophobicContact CE2-CD1 4.08Å; F323-F331 HydrophobicContact CE2-CE1 4.31Å; F323-C336 HydrophobicContact CE2-CB 3.9Å; F323-C336 HydrophobicContact CZ-CB 4.1Å; F323-L338 HydrophobicContact CD1-CD1 4.07Å; F323-L338 HydrophobicContact CD1-CD2 3.62Å; F323-L338 HydrophobicContact CD1-CG 3.84Å; F323-L338 HydrophobicContact CE1-CD1 4.31Å; F323-L338 HydrophobicContact CE1-CD2 4.07Å; F323-L338 HydrophobicContact CE1-CG 3.88Å; F323-L338 HydrophobicContact CG-CD2 4.3Å; F323-L347 HydrophobicContact CB-CD1 3.97Å; F323-L347 HydrophobicContact CB-CD2 3.92Å; F323-L347 HydrophobicContact CD1-CD1 4.25Å; F323-L347 HydrophobicContact CD2-CD1 4Å; F323-L347 HydrophobicContact CD2-CD2 3.43Å; F323-L347 VanDerWaalsContact CD2-CD2 3.43Å; F323-L347 HydrophobicContact CD2-CG 4.37Å; F323-L347 HydrophobicContact CE2-CD2 4.19Å; F323-L347 HydrophobicContact CG-CD1 3.81Å; F323-L347 HydrophobicContact CG-CD2 3.9Å
324	W	98.6	Very high	98.2	Very high	42 Å²	42	23.5 Å²	23.5	16%	0.159	10%	0.099	C	C	.	.	H	α-helix	trans	-60.2	-37.9	176.8	171.3	72.3	0	0	0	112.6	R110 L114 R320 I321 F322 R328	R110-W324 HydrophobicContact CG-CE3 4.36Å; R110-W324 HydrophobicContact CG-CH2 3.9Å; R110-W324 HydrophobicContact CG-CZ2 4.08Å; R110-W324 HydrophobicContact CG-CZ3 4.04Å; L114-W324 HydrophobicContact CD2-CH2 3.7Å; L114-W324 HydrophobicContact CD2-CZ3 3.85Å; R320-W324 PolarHBondContact O-N 3.31Å; I321-W324 HydrophobicContact CD1-CE3 4.42Å; I321-W324 HydrophobicContact CG2-CE3 4.44Å; I321-W324 PolarHBondContact O-N 3.06Å; F322-W324 PolarHBondContact O-N 3.17Å; W324-R328 WeakPolarHBondContact O-CG 3.33Å; W324-R328 PolarHBondContact O-N 2.88Å
325	L	98.6	Very high	98	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-69.5	-42.3	174.2	-69.1	170.5	0	0	0	111.9	L114 I321 F322 F323 Q327 R328 A329 E388 Q391 A392	L114-L325 HydrophobicContact CD1-CD2 4.21Å; L114-L325 HydrophobicContact CD2-CD2 4.15Å; I321-L325 HydrophobicContact CG2-CD1 4.01Å; I321-L325 HydrophobicContact CG2-CG 4.37Å; I321-L325 WeakPolarHBondContact O-CG 3.5Å; I321-L325 PolarHBondContact O-N 3.32Å; F322-L325 WeakPolarHBondContact O-CB 3.45Å; F322-L325 PolarHBondContact O-N 3.41Å; F322-L325 VanDerWaalsContact O-N 3.12Å; F323-L325 VanDerWaalsContact C-N 3.28Å; F323-L325 PolarHBondContact O-N 3.4Å; L325-Q327 VanDerWaalsContact C-N 3.29Å; L325-Q327 PolarHBondContact O-N 2.97Å; L325-R328 WeakPolarHBondContact O-CB 3.44Å; L325-R328 PolarHBondContact O-N 3.01Å; L325-R328 VanDerWaalsContact O-N 3.07Å; L325-A329 PolarHBondContact O-N 2.77Å; L325-E388 HydrophobicContact CB-CB 3.83Å; L325-E388 HydrophobicContact CB-CG 3.74Å; L325-E388 HydrophobicContact CD1-CB 4.33Å; L325-Q391 HydrophobicContact CD1-CB 3.79Å; L325-A392 HydrophobicContact CD1-CB 4.06Å
326	L	98.4	Very high	98	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-56.4	-43.6	173.8	-68.9	176.6	0	0	0	111.1	F322 F323 R328 A329 G330 F331 L350 I383 L385	F322-L326 HydrophobicContact CD1-CD1 3.94Å; F322-L326 HydrophobicContact CD1-CG 4.35Å; F322-L326 HydrophobicContact CD2-CG 4.41Å; F322-L326 HydrophobicContact CE1-CD1 3.8Å; F322-L326 HydrophobicContact CE1-CD2 4.25Å; F322-L326 HydrophobicContact CE1-CG 4.2Å; F322-L326 HydrophobicContact CE2-CD2 4.03Å; F322-L326 HydrophobicContact CE2-CG 4.25Å; F322-L326 HydrophobicContact CG-CD1 4.47Å; F322-L326 HydrophobicContact CG-CG 4.46Å; F322-L326 HydrophobicContact CZ-CD1 4.21Å; F322-L326 HydrophobicContact CZ-CD2 3.81Å; F322-L326 HydrophobicContact CZ-CG 4.14Å; F322-L326 VanDerWaalsContact O-CG 3.28Å; F322-L326 WeakPolarHBondContact O-CG 3.47Å; F322-L326 PolarHBondContact O-N 3.04Å; F323-L326 WeakPolarHBondContact O-CB 3.32Å; F323-L326 PolarHBondContact O-N 3.04Å; L326-R328 VanDerWaalsContact C-N 3.3Å; L326-R328 PolarHBondContact O-N 2.71Å; L326-A329 CarbonylContact O-C 3.54Å; L326-A329 PolarHBondContact O-N 2.68Å; L326-A329 VanDerWaalsContact O-N 3.17Å; L326-G330 PolarHBondContact O-N 2.67Å; L326-G330 VanDerWaalsContact O-N 3.08Å; L326-F331 HydrophobicContact CB-CB 4Å; L326-F331 HydrophobicContact CB-CD2 3.96Å; L326-F331 HydrophobicContact CB-CG 4.08Å; L326-F331 HydrophobicContact CD1-CD2 4.03Å; L326-F331 HydrophobicContact CD1-CE2 4.04Å; L326-F331 HydrophobicContact CG-CD2 4.4Å; L326-F331 WeakPolarHBondContact O-CB 3.46Å; L326-F331 PolarHBondContact O-N 2.51Å; L326-L350 HydrophobicContact CD1-CD1 4.23Å; L326-I383 HydrophobicContact CD2-CD1 4.03Å; L326-L385 HydrophobicContact CD2-CD1 4.09Å; L326-L385 HydrophobicContact CD2-CD2 3.34Å; L326-L385 HydrophobicContact CD2-CG 4.37Å
327	Q	98.1	Very high	97.9	Very high	95 Å²	95	34.7 Å²	34.7	44%	0.444	16%	0.155	S	C	.	.	H	α-helix	trans	-60.9	-38.8	177	-71.2	178.8	-49.7	0	0	112.1	F323 L325 A329 G330	F323-Q327 HydrophobicContact CD2-CG 4.24Å; F323-Q327 HydrophobicContact CE1-CG 4.33Å; F323-Q327 HydrophobicContact CE2-CG 3.85Å; F323-Q327 HydrophobicContact CZ-CG 3.92Å; F323-Q327 WeakPolarHBondContact O-CG 3.45Å; F323-Q327 PolarHBondContact O-N 2.77Å; L325-Q327 VanDerWaalsContact C-N 3.29Å; L325-Q327 PolarHBondContact O-N 2.97Å; Q327-A329 VanDerWaalsContact C-N 3.35Å; Q327-G330 PolarHBondContact O-N 3.36Å; Q327-G330 VanDerWaalsContact O-N 3.12Å
328	R	97.3	Very high	97.8	Very high	97 Å²	97	36.2 Å²	36.2	37%	0.366	16%	0.163	S	C	.	.	H	α-helix	trans	-64.4	-41	175.2	-67.9	163.6	56.2	79.9	-1.6	111.4	W324 L325 L326 G330	W324-R328 WeakPolarHBondContact O-CG 3.33Å; W324-R328 PolarHBondContact O-N 2.88Å; L325-R328 WeakPolarHBondContact O-CB 3.44Å; L325-R328 PolarHBondContact O-N 3.01Å; L325-R328 VanDerWaalsContact O-N 3.07Å; L326-R328 VanDerWaalsContact C-N 3.3Å; L326-R328 PolarHBondContact O-N 2.71Å; R328-G330 PolarHBondContact O-N 3.38Å
329	A	97.8	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	5.3	173.7	0	0	0	0	0	113.9	A140 R141 N144 L325 L326 Q327 E388	A140-A329 HydrophobicContact CB-CB 4.17Å; R141-A329 WeakPolarHBondContact CA-O 3.44Å; R141-A329 PolarHBondContact N-O 2.73Å; N144-A329 WeakPolarHBondContact CB-O 3.18Å; N144-A329 PolarHBondContact ND2-O 3.39Å; L325-A329 PolarHBondContact O-N 2.77Å; L326-A329 CarbonylContact O-C 3.54Å; L326-A329 PolarHBondContact O-N 2.68Å; L326-A329 VanDerWaalsContact O-N 3.17Å; Q327-A329 VanDerWaalsContact C-N 3.35Å; A329-E388 HydrophobicContact CB-CG 4.47Å
330	G	98	Very high	97.5	Very high	7 Å²	7	42.2 Å²	42.2	7%	0.072	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	39.8	175.7	0	0	0	0	0	115.1	N144 L326 Q327 R328	N144-G330 VanDerWaalsContact CB-O 3.23Å; N144-G330 WeakPolarHBondContact CB-O 3.42Å; L326-G330 PolarHBondContact O-N 2.67Å; L326-G330 VanDerWaalsContact O-N 3.08Å; Q327-G330 PolarHBondContact O-N 3.36Å; Q327-G330 VanDerWaalsContact O-N 3.12Å; R328-G330 PolarHBondContact O-N 3.38Å
331	F	98.3	Very high	97.3	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.044	20%	0.202	C	C	.	.			trans	-39	121.8	179.6	-170.1	-127.2	0	0	0	112.9	F323 L326 Y333 C336 L350 F369 I383	F323-F331 HydrophobicContact CE2-CD1 4.08Å; F323-F331 HydrophobicContact CE2-CE1 4.31Å; L326-F331 HydrophobicContact CB-CB 4Å; L326-F331 HydrophobicContact CB-CD2 3.96Å; L326-F331 HydrophobicContact CB-CG 4.08Å; L326-F331 HydrophobicContact CD1-CD2 4.03Å; L326-F331 HydrophobicContact CD1-CE2 4.04Å; L326-F331 HydrophobicContact CG-CD2 4.4Å; L326-F331 WeakPolarHBondContact O-CB 3.46Å; L326-F331 PolarHBondContact O-N 2.51Å; F331-Y333 VanDerWaalsContact C-N 3.34Å; F331-Y333 WeakPolarHBondContact CD1-O 3.28Å; F331-Y333 AromaticContact CE1-CD1 3.94Å; F331-Y333 HydrophobicContact CE1-CD1 3.94Å; F331-Y333 HydrophobicContact CE1-CG 4.2Å; F331-Y333 WeakPolarHBondContact CE1-O 3.13Å; F331-Y333 HydrophobicContact CZ-CD1 4.33Å; F331-Y333 PolarHBondContact O-N 3.13Å; F331-C336 HydrophobicContact CD1-CB 4.5Å; F331-C336 HydrophobicContact CE1-CB 4.02Å; F331-L350 HydrophobicContact CE2-CD1 3.81Å; F331-L350 HydrophobicContact CZ-CD1 3.75Å; F331-F369 AromaticContact CE2-CE1 3.76Å; F331-F369 HydrophobicContact CE2-CE1 3.76Å; F331-F369 HydrophobicContact CE2-CE2 4.33Å; F331-F369 AromaticContact CE2-CZ 3.53Å; F331-F369 HydrophobicContact CE2-CZ 3.53Å; F331-F369 HydrophobicContact CZ-CE1 4.38Å; F331-F369 HydrophobicContact CZ-CE2 4.15Å; F331-F369 AromaticContact CZ-CZ 3.71Å; F331-F369 HydrophobicContact CZ-CZ 3.71Å; F331-I383 HydrophobicContact CD2-CD1 3.72Å; F331-I383 HydrophobicContact CE2-CD1 4.19Å
332	P	97.8	Very high	97.2	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.084	21%	0.206	C	C	.	.	S	Bend	trans	-75.5	-20.5	-168.3	29.9	-36.7	0	0	0	113.6	I147 R334 F369 Y381 I383	I147-P332 HydrophobicContact CB-CB 4.18Å; I147-P332 HydrophobicContact CG2-CB 4.24Å; P332-R334 PolarHBondContact O-N 3.2Å; P332-F369 HydrophobicContact CG-CE1 4.01Å; P332-F369 HydrophobicContact CG-CZ 4.19Å; P332-Y381 HydrophobicContact CB-CD1 3.86Å; P332-Y381 HydrophobicContact CB-CE1 4.43Å; P332-Y381 HydrophobicContact CG-CD1 3.9Å; P332-Y381 HydrophobicContact CG-CG 4.44Å; P332-I383 HydrophobicContact CG-CB 4.4Å
333	Y	97.4	Very high	97.1	Very high	30 Å²	30	43.3 Å²	43.3	12%	0.118	21%	0.207	C	C	.	.			trans	-87.3	90	170.8	173.8	-140	0	0	0	110.3	F331 D335 C336 D343 L346 F373	F331-Y333 VanDerWaalsContact C-N 3.34Å; F331-Y333 WeakPolarHBondContact CD1-O 3.28Å; F331-Y333 AromaticContact CE1-CD1 3.94Å; F331-Y333 HydrophobicContact CE1-CD1 3.94Å; F331-Y333 HydrophobicContact CE1-CG 4.2Å; F331-Y333 WeakPolarHBondContact CE1-O 3.13Å; F331-Y333 HydrophobicContact CZ-CD1 4.33Å; F331-Y333 PolarHBondContact O-N 3.13Å; Y333-D335 HydrophobicContact CE2-CB 4.06Å; Y333-C336 HydrophobicContact CD1-CB 3.57Å; Y333-C336 HydrophobicContact CE1-CB 3.53Å; Y333-C336 HydrophobicContact CG-CB 4.22Å; Y333-C336 WeakPolarHBondContact O-CB 3.2Å; Y333-D343 VanDerWaalsContact CE1-OD1 3.25Å; Y333-D343 WeakPolarHBondContact CE1-OD1 3.44Å; Y333-D343 PolarHBondContact OH-OD1 2.9Å; Y333-L346 HydrophobicContact CD1-CD2 3.72Å; Y333-L346 HydrophobicContact CE1-CD2 3.87Å; Y333-F373 AromaticContact CE1-CE2 3.99Å; Y333-F373 HydrophobicContact CE1-CE2 3.99Å; Y333-F373 HydrophobicContact CE1-CZ 4.1Å; Y333-F373 AromaticContact CZ-CE2 3.8Å; Y333-F373 WeakPolarHBondContact OH-CE2 3.5Å
334	R	95	Very high	97.1	Very high	165 Å²	165	42.9 Å²	42.9	62%	0.623	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-25.3	-167.7	-62.1	-178.8	-176.9	-179.6	0.8	114.7	C145 P332 C336	C145-R334 PolarHBondContact O-NH2 2.91Å; P332-R334 PolarHBondContact O-N 3.2Å; R334-C336 VanDerWaalsContact C-N 3.26Å; R334-C336 PolarHBondContact O-N 3.21Å
335	D	95.1	Very high	97	Very high	121 Å²	121	42.9 Å²	42.9	65%	0.647	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	2.5	-175.6	-54.4	-47.1	0	0	0	113.3	Y333 Q337	Y333-D335 HydrophobicContact CE2-CB 4.06Å; D335-Q337 WeakPolarHBondContact O-CG 3.32Å; D335-Q337 PolarHBondContact O-N 3.47Å; D335-Q337 PolarHBondContact O-NE2 2.84Å
336	C	97.6	Very high	97	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.061	21%	0.21	C	C	.	.			trans	-59.4	125.8	-179.9	-171.4	0	0	0	0	112.1	F323 F331 Y333 R334	F323-C336 HydrophobicContact CE2-CB 3.9Å; F323-C336 HydrophobicContact CZ-CB 4.1Å; F331-C336 HydrophobicContact CD1-CB 4.5Å; F331-C336 HydrophobicContact CE1-CB 4.02Å; Y333-C336 HydrophobicContact CD1-CB 3.57Å; Y333-C336 HydrophobicContact CE1-CB 3.53Å; Y333-C336 HydrophobicContact CG-CB 4.22Å; Y333-C336 WeakPolarHBondContact O-CB 3.2Å; R334-C336 VanDerWaalsContact C-N 3.26Å; R334-C336 PolarHBondContact O-N 3.21Å
337	Q	96.6	Very high	97	Very high	111 Å²	111	43.4 Å²	43.4	52%	0.519	21%	0.21	S	C	.	.			trans	-125.5	133.9	-177	-72.8	165.9	65.5	0	0	112.1	D335 T339 S340 D343	D335-Q337 WeakPolarHBondContact O-CG 3.32Å; D335-Q337 PolarHBondContact O-N 3.47Å; D335-Q337 PolarHBondContact O-NE2 2.84Å; Q337-T339 PolarHBondContact O-N 2.74Å; Q337-T339 VanDerWaalsContact O-N 3.15Å; Q337-S340 WeakPolarHBondContact O-CB 3.38Å; Q337-S340 PolarHBondContact O-N 3.28Å; Q337-D343 PolarHBondContact N-OD2 3.21Å; Q337-D343 WeakPolarHBondContact O-CB 3.16Å
338	L	96.9	Very high	97	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.168	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-8.5	176.3	-64.6	176.8	0	0	0	114	L96 L97 R320 F323 C344 L347	L96-L338 HydrophobicContact CB-CD2 4.2Å; L96-L338 HydrophobicContact CD1-CD2 3.85Å; L97-L338 HydrophobicContact CD1-CB 4.21Å; L97-L338 HydrophobicContact CD2-CB 3.83Å; L97-L338 HydrophobicContact CD2-CD1 3.72Å; L97-L338 HydrophobicContact CD2-CG 4.45Å; L97-L338 HydrophobicContact CG-CB 3.82Å; R320-L338 HydrophobicContact CG-CD1 4Å; F323-L338 HydrophobicContact CD1-CD1 4.07Å; F323-L338 HydrophobicContact CD1-CD2 3.62Å; F323-L338 HydrophobicContact CD1-CG 3.84Å; F323-L338 HydrophobicContact CE1-CD1 4.31Å; F323-L338 HydrophobicContact CE1-CD2 4.07Å; F323-L338 HydrophobicContact CE1-CG 3.88Å; F323-L338 HydrophobicContact CG-CD2 4.3Å; L338-C344 PolarHBondContact O-SG 3.25Å; L338-C344 VanDerWaalsContact O-SG 3.32Å; L338-L347 HydrophobicContact CD2-CD1 3.52Å
339	T	95.4	Very high	97.1	Very high	91 Å²	91	40.4 Å²	40.4	56%	0.558	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.9	172.4	47.5	0	0	0	0	112.6	L97 Q337	L97-T339 HydrophobicContact CD1-CG2 3.72Å; Q337-T339 PolarHBondContact O-N 2.74Å; Q337-T339 VanDerWaalsContact O-N 3.15Å
340	S	95.7	Very high	97.1	Very high	37 Å²	37	40.4 Å²	40.4	26%	0.259	20%	0.2	S	C	.	.			trans	-84.9	126	179.1	168.1	0	0	0	0	110.7	Q337 L342 D343 C344	Q337-S340 WeakPolarHBondContact O-CB 3.38Å; Q337-S340 PolarHBondContact O-N 3.28Å; S340-L342 VanDerWaalsContact C-N 3.35Å; S340-L342 PolarHBondContact O-N 2.8Å; S340-D343 WeakPolarHBondContact CB-OD2 3.43Å; S340-D343 PolarHBondContact O-N 3.35Å; S340-D343 PolarHBondContact OG-N 2.86Å; S340-D343 PolarHBondContact OG-OD2 2.99Å; S340-C344 PolarHBondContact O-N 3.02Å; S340-C344 PolarHBondContact O-SG 3.03Å
341	R	95	Very high	97.2	Very high	14 Å²	14	40.3 Å²	40.3	5%	0.053	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-46	176.7	-84.2	170.9	-82	154.9	19.8	112.9	R90 E92 A175 L176 V178 L186 D343 C344 Q345	R90-R341 VanDerWaalsContact NH2-NH2 3.13Å; E92-R341 WeakPolarHBondContact OE1-CD 3.47Å; E92-R341 WeakPolarHBondContact OE1-CG 3.32Å; E92-R341 IonicContact OE1-CZ 2.59Å; E92-R341 IonicContact OE1-NE 3.41Å; E92-R341 PolarHBondContact OE1-NE 2.91Å; E92-R341 IonicContact OE2-NE 3.1Å; A175-R341 PolarHBondContact O-NH1 3.44Å; L176-R341 PolarHBondContact O-NH1 3.33Å; L176-R341 VanDerWaalsContact O-NH1 3.15Å; V178-R341 PolarHBondContact O-NH1 2.77Å; V178-R341 VanDerWaalsContact O-NH1 3.12Å; V178-R341 PolarHBondContact O-NH2 2.88Å; L186-R341 HydrophobicContact CD2-CG 4.24Å; R341-D343 VanDerWaalsContact C-N 3.34Å; R341-C344 WeakPolarHBondContact O-CB 3.48Å; R341-C344 PolarHBondContact O-N 2.89Å; R341-Q345 PolarHBondContact O-N 2.95Å
342	L	95.8	Very high	97.2	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	22%	0.222	C	C	.	.	H	α-helix	trans	-69.7	-37	-175.9	-58.2	-178.3	0	0	0	111	W160 Y177 S340 Q345 L346 F373 P374	W160-L342 HydrophobicContact CH2-CD1 3.54Å; W160-L342 HydrophobicContact CH2-CG 4.5Å; W160-L342 HydrophobicContact CZ3-CD1 3.79Å; W160-L342 HydrophobicContact CZ3-CG 4.46Å; Y177-L342 HydrophobicContact CD1-CD2 4.06Å; Y177-L342 HydrophobicContact CE1-CD2 3.81Å; S340-L342 VanDerWaalsContact C-N 3.35Å; S340-L342 PolarHBondContact O-N 2.8Å; L342-Q345 PolarHBondContact O-N 2.85Å; L342-L346 PolarHBondContact O-N 3.01Å; L342-F373 HydrophobicContact CB-CD1 3.65Å; L342-F373 HydrophobicContact CB-CE1 3.63Å; L342-F373 HydrophobicContact CD1-CB 4.33Å; L342-F373 HydrophobicContact CD1-CD1 3.94Å; L342-F373 HydrophobicContact CD1-CG 4.45Å; L342-F373 HydrophobicContact CG-CD1 4.4Å; L342-P374 HydrophobicContact CD1-CG 4.06Å
343	D	97.8	Very high	97.2	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.027	24%	0.241	C	C	.	.	H	α-helix	trans	-66.2	-40.8	172.5	-66.8	-22.8	0	0	0	110.7	Y333 Q337 S340 R341 Q345 L346 L347 F373	Y333-D343 VanDerWaalsContact CE1-OD1 3.25Å; Y333-D343 WeakPolarHBondContact CE1-OD1 3.44Å; Y333-D343 PolarHBondContact OH-OD1 2.9Å; Q337-D343 PolarHBondContact N-OD2 3.21Å; Q337-D343 WeakPolarHBondContact O-CB 3.16Å; S340-D343 WeakPolarHBondContact CB-OD2 3.43Å; S340-D343 PolarHBondContact O-N 3.35Å; S340-D343 PolarHBondContact OG-N 2.86Å; S340-D343 PolarHBondContact OG-OD2 2.99Å; R341-D343 VanDerWaalsContact C-N 3.34Å; D343-Q345 VanDerWaalsContact C-N 3.3Å; D343-Q345 PolarHBondContact O-N 2.9Å; D343-L346 WeakPolarHBondContact O-CB 3.47Å; D343-L346 PolarHBondContact O-N 2.82Å; D343-L347 WeakPolarHBondContact O-CB 3.22Å; D343-L347 VanDerWaalsContact O-CG 3.23Å; D343-L347 WeakPolarHBondContact O-CG 3.49Å; D343-L347 PolarHBondContact O-N 3.28Å; D343-F373 WeakPolarHBondContact OD1-CZ 3.32Å
344	C	97.9	Very high	97.3	Very high	1 Å²	1	48 Å²	48	1%	0.007	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-37.1	174.5	-68.3	0	0	0	0	112.9	W95 L96 L338 S340 R341 Q348	W95-C344 HydrophobicContact CB-CB 4.42Å; W95-C344 HydrophobicContact CD2-CB 3.71Å; W95-C344 HydrophobicContact CE3-CB 3.34Å; W95-C344 HydrophobicContact CG-CB 4.17Å; W95-C344 HydrophobicContact CZ3-CB 3.89Å; L96-C344 HydrophobicContact CD1-CB 3.87Å; L96-C344 HydrophobicContact CG-CB 4.03Å; L338-C344 PolarHBondContact O-SG 3.25Å; L338-C344 VanDerWaalsContact O-SG 3.32Å; S340-C344 PolarHBondContact O-N 3.02Å; S340-C344 PolarHBondContact O-SG 3.03Å; R341-C344 WeakPolarHBondContact O-CB 3.48Å; R341-C344 PolarHBondContact O-N 2.89Å; C344-Q348 PolarHBondContact O-N 3.29Å; C344-Q348 VanDerWaalsContact O-N 3.13Å; C344-Q348 PolarHBondContact O-NE2 3.16Å
345	Q	97.2	Very high	97.4	Very high	43 Å²	43	40.5 Å²	40.5	20%	0.201	21%	0.212	C	C	.	.	H	α-helix	trans	-65.7	-46.7	172.8	-75	178.2	-59.5	0	0	111.2	W95 R341 L342 D343 L347 Q348 H349	W95-Q345 HydrophobicContact CH2-CG 3.59Å; W95-Q345 HydrophobicContact CZ3-CG 3.66Å; R341-Q345 PolarHBondContact O-N 2.95Å; L342-Q345 PolarHBondContact O-N 2.85Å; D343-Q345 VanDerWaalsContact C-N 3.3Å; D343-Q345 PolarHBondContact O-N 2.9Å; Q345-L347 PolarHBondContact O-N 3.18Å; Q345-Q348 PolarHBondContact O-N 2.66Å; Q345-H349 PolarHBondContact O-N 2.98Å
346	L	98.1	Very high	97.6	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-50.4	175.1	173.5	64.7	0	0	0	110.7	Y333 L342 D343 Q348 H349 L350 F369 T371 F373	Y333-L346 HydrophobicContact CD1-CD2 3.72Å; Y333-L346 HydrophobicContact CE1-CD2 3.87Å; L342-L346 PolarHBondContact O-N 3.01Å; D343-L346 WeakPolarHBondContact O-CB 3.47Å; D343-L346 PolarHBondContact O-N 2.82Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 2.99Å; L346-H349 WeakPolarHBondContact O-CA 3.38Å; L346-H349 WeakPolarHBondContact O-CB 3.18Å; L346-H349 PolarHBondContact O-N 3.38Å; L346-H349 VanDerWaalsContact O-N 3.09Å; L346-L350 HydrophobicContact CD1-CD1 4.34Å; L346-L350 HydrophobicContact CD1-CD2 4.12Å; L346-L350 HydrophobicContact CD1-CG 4.07Å; L346-L350 HydrophobicContact CG-CD1 4.17Å; L346-L350 HydrophobicContact CG-CG 4.27Å; L346-L350 WeakPolarHBondContact O-CG 3.38Å; L346-L350 PolarHBondContact O-N 3.35Å; L346-F369 HydrophobicContact CD1-CD2 4.15Å; L346-F369 HydrophobicContact CD2-CE2 4.45Å; L346-T371 HydrophobicContact CD1-CG2 4.42Å; L346-T371 HydrophobicContact CD2-CG2 3.78Å; L346-F373 HydrophobicContact CB-CZ 4.5Å; L346-F373 HydrophobicContact CD2-CZ 4.02Å
347	L	98.8	Very high	97.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-38.2	-177.7	-67.9	174.7	0	0	0	112.6	L96 T319 F323 L338 D343 Q345 L350 K351	L96-L347 HydrophobicContact CD1-CB 4.33Å; L96-L347 HydrophobicContact CD1-CD1 4.06Å; T319-L347 VanDerWaalsContact CG2-C 3.46Å; T319-L347 HydrophobicContact CG2-CB 3.57Å; F323-L347 HydrophobicContact CB-CD1 3.97Å; F323-L347 HydrophobicContact CB-CD2 3.92Å; F323-L347 HydrophobicContact CD1-CD1 4.25Å; F323-L347 HydrophobicContact CD2-CD1 4Å; F323-L347 HydrophobicContact CD2-CD2 3.43Å; F323-L347 VanDerWaalsContact CD2-CD2 3.43Å; F323-L347 HydrophobicContact CD2-CG 4.37Å; F323-L347 HydrophobicContact CE2-CD2 4.19Å; F323-L347 HydrophobicContact CG-CD1 3.81Å; F323-L347 HydrophobicContact CG-CD2 3.9Å; L338-L347 HydrophobicContact CD2-CD1 3.52Å; D343-L347 WeakPolarHBondContact O-CB 3.22Å; D343-L347 VanDerWaalsContact O-CG 3.23Å; D343-L347 WeakPolarHBondContact O-CG 3.49Å; D343-L347 PolarHBondContact O-N 3.28Å; Q345-L347 PolarHBondContact O-N 3.18Å; L347-L350 HydrophobicContact CD2-CD1 4.39Å; L347-L350 PolarHBondContact O-N 2.88Å; L347-K351 WeakPolarHBondContact O-CB 3.25Å; L347-K351 PolarHBondContact O-N 3.1Å
348	Q	98.3	Very high	97.7	Very high	26 Å²	26	31.2 Å²	31.2	12%	0.121	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-44.5	172.8	-84.9	169.3	102.2	0	0	111.7	T319 C344 Q345 L346 L350 K351 E352	T319-Q348 HydrophobicContact CG2-CG 3.98Å; C344-Q348 PolarHBondContact O-N 3.29Å; C344-Q348 VanDerWaalsContact O-N 3.13Å; C344-Q348 PolarHBondContact O-NE2 3.16Å; Q345-Q348 PolarHBondContact O-N 2.66Å; L346-Q348 VanDerWaalsContact C-N 3.32Å; L346-Q348 PolarHBondContact O-N 2.99Å; Q348-L350 PolarHBondContact O-N 3.38Å; Q348-K351 WeakPolarHBondContact O-CB 3.37Å; Q348-K351 PolarHBondContact O-N 3.33Å; Q348-E352 WeakPolarHBondContact O-CB 3.41Å; Q348-E352 PolarHBondContact O-N 3.44Å
349	H	98.4	Very high	97.6	Very high	102 Å²	102	30 Å²	30	47%	0.472	16%	0.158	S	C	.	.	H	α-helix	trans	-60.7	-43.8	176.3	176.6	61.5	0	0	0	111.8	Q345 L346 K351 E352 T353	Q345-H349 PolarHBondContact O-N 2.98Å; L346-H349 WeakPolarHBondContact O-CA 3.38Å; L346-H349 WeakPolarHBondContact O-CB 3.18Å; L346-H349 PolarHBondContact O-N 3.38Å; L346-H349 VanDerWaalsContact O-N 3.09Å; H349-K351 PolarHBondContact O-N 2.98Å; H349-E352 PolarHBondContact O-N 3.43Å; H349-T353 PolarHBondContact CE1-OG1 3.13Å; H349-T353 WeakPolarHBondContact O-CB 3.3Å; H349-T353 PolarHBondContact O-N 3.5Å; H349-T353 PolarHBondContact O-OG1 2.93Å
350	L	98.8	Very high	97.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-61.9	-43.1	176	-62.1	-178.6	0	0	0	111.5	F322 L326 F331 L346 L347 Q348 T353 F354 F369	F322-L350 HydrophobicContact CE1-CB 4.02Å; L326-L350 HydrophobicContact CD1-CD1 4.23Å; F331-L350 HydrophobicContact CE2-CD1 3.81Å; F331-L350 HydrophobicContact CZ-CD1 3.75Å; L346-L350 HydrophobicContact CD1-CD1 4.34Å; L346-L350 HydrophobicContact CD1-CD2 4.12Å; L346-L350 HydrophobicContact CD1-CG 4.07Å; L346-L350 HydrophobicContact CG-CD1 4.17Å; L346-L350 HydrophobicContact CG-CG 4.27Å; L346-L350 WeakPolarHBondContact O-CG 3.38Å; L346-L350 PolarHBondContact O-N 3.35Å; L347-L350 HydrophobicContact CD2-CD1 4.39Å; L347-L350 PolarHBondContact O-N 2.88Å; Q348-L350 PolarHBondContact O-N 3.38Å; L350-T353 PolarHBondContact O-N 3.13Å; L350-F354 HydrophobicContact CB-CD2 4.28Å; L350-F354 HydrophobicContact CB-CE2 4.4Å; L350-F354 HydrophobicContact CD2-CD2 4.45Å; L350-F354 HydrophobicContact CD2-CE2 3.75Å; L350-F354 HydrophobicContact CD2-CZ 4.41Å; L350-F354 WeakPolarHBondContact O-CB 3.41Å; L350-F354 WeakPolarHBondContact O-CD2 3.45Å; L350-F354 PolarHBondContact O-N 3.07Å; L350-F369 HydrophobicContact CD2-CB 3.44Å; L350-F369 VanDerWaalsContact CD2-CB 3.44Å; L350-F369 HydrophobicContact CD2-CD1 4.23Å; L350-F369 HydrophobicContact CD2-CD2 3.93Å; L350-F369 HydrophobicContact CD2-CG 3.62Å
351	K	98.7	Very high	97.7	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.022	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-50.7	174.4	172.9	-138.9	62.7	-167.8	0	110.9	V318 T319 F322 L347 Q348 H349 T353 C355 F564	V318-K351 HydrophobicContact CB-CD 4.37Å; V318-K351 HydrophobicContact CG1-CD 4.08Å; V318-K351 HydrophobicContact CG1-CG 4.1Å; T319-K351 WeakPolarHBondContact OG1-CD 3.44Å; F322-K351 HydrophobicContact CD1-CB 4Å; L347-K351 WeakPolarHBondContact O-CB 3.25Å; L347-K351 PolarHBondContact O-N 3.1Å; Q348-K351 WeakPolarHBondContact O-CB 3.37Å; Q348-K351 PolarHBondContact O-N 3.33Å; H349-K351 PolarHBondContact O-N 2.98Å; K351-T353 PolarHBondContact O-N 3.47Å; K351-C355 HydrophobicContact CG-CB 4.38Å; K351-C355 WeakPolarHBondContact O-CB 3.39Å; K351-C355 PolarHBondContact O-N 3.49Å; K351-F564 HydrophobicContact CD-CE1 4.26Å; K351-F564 HydrophobicContact CD-CZ 4.35Å; K351-F564 HydrophobicContact CG-CE1 4.12Å
352	E	98.4	Very high	97.7	Very high	117 Å²	117	31 Å²	31	55%	0.547	16%	0.161	S	C	.	.	H	α-helix	trans	-63.6	-28.3	-179.7	-85.7	145.8	-143	0	0	113.5	Q348 H349	Q348-E352 WeakPolarHBondContact O-CB 3.41Å; Q348-E352 PolarHBondContact O-N 3.44Å; H349-E352 PolarHBondContact O-N 3.43Å
353	T	98.5	Very high	97.6	Very high	79 Å²	79	31.3 Å²	31.3	49%	0.485	17%	0.169	S	C	.	.	H	α-helix	trans	-84.7	-42.4	-179.4	-54	0	0	0	0	112.2	H349 L350 K351	H349-T353 PolarHBondContact CE1-OG1 3.13Å; H349-T353 WeakPolarHBondContact O-CB 3.3Å; H349-T353 PolarHBondContact O-N 3.5Å; H349-T353 PolarHBondContact O-OG1 2.93Å; L350-T353 PolarHBondContact O-N 3.13Å; K351-T353 PolarHBondContact O-N 3.47Å
354	F	98.6	Very high	97.5	Very high	18 Å²	18	33.8 Å²	33.8	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-104.2	-27.7	-168.4	-58.2	-37.2	0	0	0	114.7	F322 L350 H367 F369 L385 K389	F322-F354 HydrophobicContact CE1-CB 4.46Å; F322-F354 HydrophobicContact CE1-CD2 4.34Å; F322-F354 HydrophobicContact CZ-CB 3.98Å; F322-F354 HydrophobicContact CZ-CD2 4.21Å; L350-F354 HydrophobicContact CB-CD2 4.28Å; L350-F354 HydrophobicContact CB-CE2 4.4Å; L350-F354 HydrophobicContact CD2-CD2 4.45Å; L350-F354 HydrophobicContact CD2-CE2 3.75Å; L350-F354 HydrophobicContact CD2-CZ 4.41Å; L350-F354 WeakPolarHBondContact O-CB 3.41Å; L350-F354 WeakPolarHBondContact O-CD2 3.45Å; L350-F354 PolarHBondContact O-N 3.07Å; F354-H367 HydrophobicContact CD1-CB 4.46Å; F354-H367 AromaticContact CD1-ND1 3.82Å; F354-H367 HydrophobicContact CE1-CB 3.84Å; F354-H367 AromaticContact CE1-ND1 3.82Å; F354-H367 HydrophobicContact CZ-CB 3.93Å; F354-F369 HydrophobicContact CZ-CB 4.33Å; F354-L385 HydrophobicContact CB-CD1 4.28Å; F354-L385 HydrophobicContact CD2-CD1 3.71Å; F354-L385 HydrophobicContact CE2-CD1 4.24Å; F354-L385 HydrophobicContact CG-CD1 4.1Å; F354-K389 HydrophobicContact CB-CD 4.14Å; F354-K389 HydrophobicContact CB-CG 4.16Å; F354-K389 WeakPolarHBondContact O-CB 3.44Å; F354-K389 WeakPolarHBondContact O-CD 3.47Å
355	C	98.8	Very high	97.5	Very high	8 Å²	8	36.8 Å²	36.8	5%	0.054	20%	0.195	C	C	.	.			trans	-75.2	142.7	-174.8	-71.7	0	0	0	0	112.8	K351 K389 P393 F564	K351-C355 HydrophobicContact CG-CB 4.38Å; K351-C355 WeakPolarHBondContact O-CB 3.39Å; K351-C355 PolarHBondContact O-N 3.49Å; C355-K389 VanDerWaalsContact CA-O 3.24Å; C355-K389 WeakPolarHBondContact CA-O 3.44Å; C355-P393 HydrophobicContact CB-CG 3.51Å; C355-F564 HydrophobicContact CB-CD1 3.72Å; C355-F564 HydrophobicContact CB-CE1 3.69Å
356	H	98.7	Very high	97.5	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.032	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-145.9	165.6	178	62.2	88.7	0	0	0	111.5	D358 I361 K389 L390 H565	H356-D358 PolarHBondContact CE1-O 3Å; H356-D358 PolarHBondContact ND1-N 3.02Å; H356-D358 PolarHBondContact ND1-O 3.11Å; H356-I361 HydrophobicContact CB-CD1 4.45Å; H356-I361 PolarHBondContact CE1-O 3.37Å; H356-I361 WeakPolarHBondContact NE2-CG2 3.41Å; H356-K389 PolarHBondContact N-O 3.17Å; H356-L390 WeakPolarHBondContact O-CD1 3.45Å; H356-H565 HydrophobicContact CB-CB 4.07Å
357	L	98.6	Very high	97.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.216	C	C	.	.			trans	-115.3	19.3	170.9	-75.8	172.4	0	0	0	112.5	L390 P393 M394 F397 L562 F564 H565 A567 F570	L357-L390 HydrophobicContact CD2-CD1 4.32Å; L357-P393 HydrophobicContact CD1-CB 4.46Å; L357-P393 HydrophobicContact CD2-CB 3.72Å; L357-P393 HydrophobicContact CG-CB 3.9Å; L357-M394 HydrophobicContact CD2-CG 3.89Å; L357-F397 HydrophobicContact CD1-CE2 4.13Å; L357-F397 HydrophobicContact CD2-CE2 4.31Å; L357-L562 HydrophobicContact CD1-CD1 4.16Å; L357-F564 HydrophobicContact CD1-CB 4.36Å; L357-F564 HydrophobicContact CD1-CD2 4.15Å; L357-F564 HydrophobicContact CG-CB 4.28Å; L357-H565 PolarHBondContact N-O 3.33Å; L357-A567 HydrophobicContact CD1-CB 3.94Å; L357-F570 HydrophobicContact CB-CB 3.88Å; L357-F570 HydrophobicContact CB-CD1 4.4Å; L357-F570 HydrophobicContact CB-CD2 4.22Å; L357-F570 HydrophobicContact CB-CG 3.93Å; L357-F570 HydrophobicContact CD1-CD1 4.13Å; L357-F570 HydrophobicContact CD1-CG 4.46Å; L357-F570 HydrophobicContact CD2-CD1 4.04Å; L357-F570 HydrophobicContact CD2-CD2 4.34Å; L357-F570 HydrophobicContact CD2-CE1 3.98Å; L357-F570 HydrophobicContact CD2-CE2 4.3Å; L357-F570 HydrophobicContact CD2-CG 4.22Å; L357-F570 HydrophobicContact CD2-CZ 4.11Å; L357-F570 HydrophobicContact CG-CD1 4.44Å; L357-F570 HydrophobicContact CG-CG 4.44Å; L357-F570 VanDerWaalsContact O-CD2 3.3Å; L357-F570 WeakPolarHBondContact O-CD2 3.5Å
358	D	97.7	Very high	97.5	Very high	37 Å²	37	45.5 Å²	45.5	20%	0.198	24%	0.239	C	C	.	.			trans	-85.3	131.3	174.9	-166.9	-19.5	0	0	0	112.1	H356 D360 I361 H565	H356-D358 PolarHBondContact CE1-O 3Å; H356-D358 PolarHBondContact ND1-N 3.02Å; H356-D358 PolarHBondContact ND1-O 3.11Å; D358-D360 PolarHBondContact OD1-N 3.39Å; D358-I361 HydrophobicContact CB-CB 4.46Å; D358-I361 HydrophobicContact CB-CD1 3.82Å; D358-I361 HydrophobicContact CB-CG1 3.95Å; D358-H565 IonicContact OD2-CE1 2.85Å; D358-H565 PolarHBondContact OD2-CE1 3Å; D358-H565 VanDerWaalsContact OD2-CE1 3.28Å; D358-H565 IonicContact OD2-ND1 2.76Å
359	Q	95.7	Very high	97.4	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.033	24%	0.235	C	C	.	.	S	Bend	trans	-79.7	-27	177.5	-73.1	-64.5	-48.6	0	0	113.5	K124 R132	K124-Q359 HydrophobicContact CD-CG 3.49Å; K124-Q359 VanDerWaalsContact CD-CG 3.49Å; K124-Q359 HydrophobicContact CG-CG 3.94Å; R132-Q359 PolarHBondContact NH1-O 2.94Å
360	D	96.3	Very high	97.4	Very high	71 Å²	71	43.6 Å²	43.6	38%	0.38	23%	0.23	S	C	.	.	S	Bend	trans	-80.7	-23.6	-173.2	-65	-33.4	0	0	0	111.4	M126 S127 D358 S362	M126-D360 WeakPolarHBondContact CA-OD1 3.39Å; M126-D360 WeakPolarHBondContact CB-OD1 3.36Å; S127-D360 VanDerWaalsContact CB-OD2 3.27Å; S127-D360 WeakPolarHBondContact CB-OD2 3.24Å; S127-D360 PolarHBondContact N-OD1 2.67Å; S127-D360 PolarHBondContact OG-OD1 2.95Å; S127-D360 PolarHBondContact OG-OD2 3.01Å; D358-D360 PolarHBondContact OD1-N 3.39Å; D360-S362 PolarHBondContact O-N 3.07Å
361	I	95.9	Very high	97.2	Very high	46 Å²	46	43.8 Å²	43.8	24%	0.236	23%	0.231	C	C	.	.			trans	-73.2	91.8	171.3	-57	177.7	0	0	0	109.1	R132 H356 D358	R132-I361 VanDerWaalsContact CZ-O 3.23Å; R132-I361 VanDerWaalsContact NH1-C 3.34Å; R132-I361 PolarHBondContact NH1-O 2.93Å; R132-I361 PolarHBondContact NH2-O 2.94Å; H356-I361 HydrophobicContact CB-CD1 4.45Å; H356-I361 PolarHBondContact CE1-O 3.37Å; H356-I361 WeakPolarHBondContact NE2-CG2 3.41Å; D358-I361 HydrophobicContact CB-CB 4.46Å; D358-I361 HydrophobicContact CB-CD1 3.82Å; D358-I361 HydrophobicContact CB-CG1 3.95Å
362	S	94.2	Very high	97	Very high	45 Å²	45	47.9 Å²	47.9	32%	0.315	25%	0.247	S	C	.	.			trans	-126	174.7	-175.9	67.5	0	0	0	0	113.9	R132 D360 Q365	R132-S362 VanDerWaalsContact CZ-CB 3.48Å; R132-S362 VanDerWaalsContact NH1-CB 3.29Å; D360-S362 PolarHBondContact O-N 3.07Å; S362-Q365 PolarHBondContact O-NE2 3.43Å
363	G	94.8	Very high	96.9	Very high	24 Å²	24	44 Å²	44	25%	0.247	23%	0.228	C	C	.	.	S	Bend	trans	81.2	175.2	-179.6	0	0	0	0	0	114
364	L	96.3	Very high	96.7	Very high	58 Å²	58	40.7 Å²	40.7	30%	0.304	21%	0.208	S	C	.	.			trans	-79.6	130.2	170.3	-72.5	173.8	0	0	0	109.1	V135 Q139 A140 R384	V135-L364 HydrophobicContact CB-CD2 4.16Å; V135-L364 HydrophobicContact CB-CG 4.06Å; V135-L364 HydrophobicContact CG1-CG 4.13Å; V135-L364 HydrophobicContact CG2-CD2 4.14Å; V135-L364 HydrophobicContact CG2-CG 4.43Å; Q139-L364 HydrophobicContact CB-CD1 3.97Å; A140-L364 HydrophobicContact CB-CD2 3.96Å; L364-R384 HydrophobicContact CB-CG 3.94Å; L364-R384 HydrophobicContact CD2-CG 4.17Å; L364-R384 HydrophobicContact CG-CG 4.46Å
365	Q	96.9	Very high	96.4	Very high	63 Å²	63	47.5 Å²	47.5	29%	0.294	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.2	180	-67.7	176	-1.4	0	0	109.5	S362 H367 R384 L385	S362-Q365 PolarHBondContact O-NE2 3.43Å; Q365-H367 VanDerWaalsContact CB-NE2 3.3Å; Q365-H367 WeakPolarHBondContact CB-NE2 3.46Å; Q365-H367 PolarHBondContact O-CD2 3.45Å; Q365-H367 VanDerWaalsContact O-CD2 3.22Å; Q365-R384 CarbonylContact O-C 3.58Å; Q365-R384 WeakPolarHBondContact O-CA 3.36Å; Q365-L385 PolarHBondContact N-O 3.2Å; Q365-L385 PolarHBondContact O-N 2.83Å
366	D	97.4	Very high	96.1	Very high	93 Å²	93	48.5 Å²	48.5	50%	0.497	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133	172.7	-66.4	-36.5	0	0	0	109.4	R384	D366-R384 IonicContact OD1-CZ 2.69Å; D366-R384 IonicContact OD1-NE 3.17Å; D366-R384 PolarHBondContact OD1-NE 2.82Å; D366-R384 IonicContact OD1-NH2 2.67Å; D366-R384 PolarHBondContact OD1-NH2 3.17Å; D366-R384 IonicContact OD2-NH2 2.73Å; D366-R384 PolarHBondContact OD2-NH2 2.99Å
367	H	98.1	Very high	96	Very high	42 Å²	42	50.4 Å²	50.4	19%	0.194	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	166.1	179.5	-64.2	-82	0	0	0	109.1	F354 Q365 Q382 I383	F354-H367 HydrophobicContact CD1-CB 4.46Å; F354-H367 AromaticContact CD1-ND1 3.82Å; F354-H367 HydrophobicContact CE1-CB 3.84Å; F354-H367 AromaticContact CE1-ND1 3.82Å; F354-H367 HydrophobicContact CZ-CB 3.93Å; Q365-H367 VanDerWaalsContact CB-NE2 3.3Å; Q365-H367 WeakPolarHBondContact CB-NE2 3.46Å; Q365-H367 PolarHBondContact O-CD2 3.45Å; Q365-H367 VanDerWaalsContact O-CD2 3.22Å; H367-Q382 CarbonylContact O-C 3.58Å; H367-Q382 PolarHBondContact O-OE1 3.4Å; H367-I383 WeakPolarHBondContact CA-O 3.46Å; H367-I383 HydrophobicContact CB-CG2 3.93Å; H367-I383 PolarHBondContact N-O 3.41Å; H367-I383 PolarHBondContact O-N 2.77Å; H367-I383 VanDerWaalsContact O-O 3.11Å
368	E	97.9	Very high	95.9	Very high	105 Å²	105	50.4 Å²	50.4	49%	0.491	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.6	172.2	64.7	178.5	-150.4	0	0	111.9	L380 Y381 Q382	E368-L380 HydrophobicContact CB-CD1 4.03Å; E368-L380 HydrophobicContact CG-CD1 4.24Å; E368-Y381 CarbonylContact C-O 3.6Å; E368-Y381 WeakPolarHBondContact CA-O 3.36Å; E368-Y381 WeakPolarHBondContact CB-O 3.23Å; E368-Q382 PolarHBondContact OE2-NE2 2.91Å
369	F	98	Very high	95.9	Very high	9 Å²	9	50 Å²	50	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.1	172.9	70.4	-86.9	0	0	0	111.4	F331 P332 L346 L350 F354 T371 Y381 I383	F331-F369 AromaticContact CE2-CE1 3.76Å; F331-F369 HydrophobicContact CE2-CE1 3.76Å; F331-F369 HydrophobicContact CE2-CE2 4.33Å; F331-F369 AromaticContact CE2-CZ 3.53Å; F331-F369 HydrophobicContact CE2-CZ 3.53Å; F331-F369 HydrophobicContact CZ-CE1 4.38Å; F331-F369 HydrophobicContact CZ-CE2 4.15Å; F331-F369 AromaticContact CZ-CZ 3.71Å; F331-F369 HydrophobicContact CZ-CZ 3.71Å; P332-F369 HydrophobicContact CG-CE1 4.01Å; P332-F369 HydrophobicContact CG-CZ 4.19Å; L346-F369 HydrophobicContact CD1-CD2 4.15Å; L346-F369 HydrophobicContact CD2-CE2 4.45Å; L350-F369 HydrophobicContact CD2-CB 3.44Å; L350-F369 VanDerWaalsContact CD2-CB 3.44Å; L350-F369 HydrophobicContact CD2-CD1 4.23Å; L350-F369 HydrophobicContact CD2-CD2 3.93Å; L350-F369 HydrophobicContact CD2-CG 3.62Å; F354-F369 HydrophobicContact CZ-CB 4.33Å; F369-T371 HydrophobicContact CD2-CG2 4.21Å; F369-T371 HydrophobicContact CE2-CG2 3.88Å; F369-Y381 HydrophobicContact CD2-CD2 4.29Å; F369-Y381 HydrophobicContact CE1-CG 4.1Å; F369-Y381 AromaticContact CE2-CD2 3.66Å; F369-Y381 HydrophobicContact CE2-CD2 3.66Å; F369-Y381 HydrophobicContact CE2-CE2 4.38Å; F369-Y381 AromaticContact CE2-CG 3.92Å; F369-Y381 HydrophobicContact CE2-CG 3.92Å; F369-Y381 VanDerWaalsContact CZ-CB 3.45Å; F369-Y381 HydrophobicContact CZ-CD1 4.26Å; F369-Y381 AromaticContact CZ-CD2 3.87Å; F369-Y381 HydrophobicContact CZ-CD2 3.87Å; F369-Y381 AromaticContact CZ-CG 3.61Å; F369-Y381 HydrophobicContact CZ-CG 3.61Å; F369-Y381 PolarHBondContact N-O 3.46Å; F369-Y381 PolarHBondContact O-N 3.21Å; F369-I383 HydrophobicContact CD1-CG2 3.93Å; F369-I383 HydrophobicContact CE1-CB 4.31Å; F369-I383 HydrophobicContact CE1-CD1 4.43Å; F369-I383 HydrophobicContact CE1-CG2 4.16Å
370	Q	96.8	Very high	96	Very high	79 Å²	79	50.9 Å²	50.9	37%	0.369	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	146.2	179	-63.6	-179.4	18.1	0	0	111.1	L152 R372 L379 L380	L152-Q370 HydrophobicContact CD1-CG 3.99Å; Q370-R372 VanDerWaalsContact OE1-NE 3.16Å; Q370-L379 CarbonylContact C-O 3.58Å; Q370-L379 WeakPolarHBondContact CA-O 3.36Å; Q370-L380 HydrophobicContact CG-CD1 3.68Å
371	T	96.2	Very high	96.1	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.1	165.1	66.4	0	0	0	0	108.9	L346 F369 F373 L379 Y381	L346-T371 HydrophobicContact CD1-CG2 4.42Å; L346-T371 HydrophobicContact CD2-CG2 3.78Å; F369-T371 HydrophobicContact CD2-CG2 4.21Å; F369-T371 HydrophobicContact CE2-CG2 3.88Å; T371-F373 HydrophobicContact CG2-CE2 4.19Å; T371-F373 HydrophobicContact CG2-CZ 4.39Å; T371-L379 PolarHBondContact N-O 2.94Å; T371-L379 PolarHBondContact O-N 3.01Å; T371-L379 WeakPolarHBondContact OG1-CB 3.43Å; T371-Y381 HydrophobicContact CG2-CD2 4.11Å; T371-Y381 HydrophobicContact CG2-CE2 3.79Å
372	R	94.5	Very high	96.2	Very high	92 Å²	92	49.3 Å²	49.3	35%	0.347	25%	0.253	S	S	.	.			trans	-134.8	80.3	-179.8	-68.3	-174.9	-179.3	-90.3	-4.2	108.2	D153 V158 Q370 A378	D153-R372 IonicContact OD2-NH1 3.18Å; V158-R372 HydrophobicContact CG2-CB 3.99Å; V158-R372 WeakPolarHBondContact CG2-O 3.47Å; Q370-R372 VanDerWaalsContact OE1-NE 3.16Å; R372-A378 HydrophobicContact CG-CB 4.26Å
373	F	94.8	Very high	96.4	Very high	36 Å²	36	47.2 Å²	47.2	16%	0.158	24%	0.238	C	C	.	.			trans	-97.7	150	179.1	-57.7	-47.7	0	0	0	111.4	S156 Y333 L342 D343 L346 T371 E375 A376	S156-F373 WeakPolarHBondContact CB-O 3.47Å; S156-F373 PolarHBondContact OG-O 3.09Å; Y333-F373 AromaticContact CE1-CE2 3.99Å; Y333-F373 HydrophobicContact CE1-CE2 3.99Å; Y333-F373 HydrophobicContact CE1-CZ 4.1Å; Y333-F373 AromaticContact CZ-CE2 3.8Å; Y333-F373 WeakPolarHBondContact OH-CE2 3.5Å; L342-F373 HydrophobicContact CB-CD1 3.65Å; L342-F373 HydrophobicContact CB-CE1 3.63Å; L342-F373 HydrophobicContact CD1-CB 4.33Å; L342-F373 HydrophobicContact CD1-CD1 3.94Å; L342-F373 HydrophobicContact CD1-CG 4.45Å; L342-F373 HydrophobicContact CG-CD1 4.4Å; D343-F373 WeakPolarHBondContact OD1-CZ 3.32Å; L346-F373 HydrophobicContact CB-CZ 4.5Å; L346-F373 HydrophobicContact CD2-CZ 4.02Å; T371-F373 HydrophobicContact CG2-CE2 4.19Å; T371-F373 HydrophobicContact CG2-CZ 4.39Å; F373-E375 PolarHBondContact O-N 3.35Å; F373-A376 HydrophobicContact CB-CB 4.08Å; F373-A376 PolarHBondContact O-N 3.13Å
374	P	94.9	Very high	96.5	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.058	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	140.5	174.5	-22.7	32.6	0	0	0	112	V158 W160 Y177 L342 A376	V158-P374 HydrophobicContact CG1-CG 3.94Å; V158-P374 WeakPolarHBondContact O-CA 3.1Å; W160-P374 HydrophobicContact CD2-CB 3.56Å; W160-P374 HydrophobicContact CD2-CG 3.73Å; W160-P374 VanDerWaalsContact CE2-CB 3.45Å; W160-P374 HydrophobicContact CE3-CB 4.09Å; W160-P374 HydrophobicContact CE3-CG 3.7Å; W160-P374 HydrophobicContact CG-CB 3.84Å; W160-P374 HydrophobicContact CG-CG 4.36Å; W160-P374 HydrophobicContact CH2-CB 4.41Å; W160-P374 HydrophobicContact CH2-CG 4.04Å; W160-P374 HydrophobicContact CZ2-CB 3.91Å; W160-P374 HydrophobicContact CZ2-CG 4.05Å; W160-P374 HydrophobicContact CZ3-CB 4.5Å; W160-P374 HydrophobicContact CZ3-CG 3.87Å; Y177-P374 HydrophobicContact CD1-CG 4.17Å; L342-P374 HydrophobicContact CD1-CG 4.06Å; P374-A376 PolarHBondContact O-N 3.01Å
375	E	91.6	Very high	96.6	Very high	161 Å²	161	46.5 Å²	46.5	75%	0.752	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	16.5	177	-58.1	170.5	166.3	0	0	114.3	W160 F373	W160-E375 PolarHBondContact NE1-OE2 3.33Å; F373-E375 PolarHBondContact O-N 3.35Å
376	A	93.5	Very high	96.6	Very high	28 Å²	28	43.5 Å²	43.5	23%	0.231	21%	0.21	C	C	.	.	S	Bend	trans	-119	157.3	175.9	0	0	0	0	0	111.1	S156 F373 P374	S156-A376 VanDerWaalsContact CB-O 3.3Å; S156-A376 WeakPolarHBondContact CB-O 3.43Å; S156-A376 PolarHBondContact N-O 3.21Å; S156-A376 PolarHBondContact OG-O 2.84Å; F373-A376 HydrophobicContact CB-CB 4.08Å; F373-A376 PolarHBondContact O-N 3.13Å; P374-A376 PolarHBondContact O-N 3.01Å
377	P	95.8	Very high	96.6	Very high	48 Å²	48	39.5 Å²	39.5	31%	0.312	19%	0.188	S	C	.	.			trans	-64.3	155.2	169.5	27.3	-34.5	0	0	0	111.4	V151 D153 L379	V151-P377 HydrophobicContact CG1-CB 4.11Å; D153-P377 WeakPolarHBondContact O-CA 3.45Å; D153-P377 WeakPolarHBondContact O-CB 3.28Å; P377-L379 HydrophobicContact CB-CD2 4.12Å; P377-L379 HydrophobicContact CG-CD2 3.83Å; P377-L379 HydrophobicContact CG-CG 4.15Å; P377-L379 PolarHBondContact O-N 3.05Å
378	A	96.3	Very high	96.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117	167	0	0	0	0	0	108.5	L152 D153 R372	L152-A378 HydrophobicContact CB-CB 4.23Å; L152-A378 PolarHBondContact N-O 2.59Å; D153-A378 HydrophobicContact CB-CB 3.92Å; D153-A378 PolarHBondContact O-N 3.41Å; R372-A378 HydrophobicContact CG-CB 4.26Å
379	L	97.4	Very high	96.6	Very high	29 Å²	29	32.9 Å²	32.9	15%	0.152	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.4	-177.5	-58.6	177.3	0	0	0	110.7	P149 A150 V151 Q370 T371 P377 Y381	P149-L379 HydrophobicContact CB-CB 3.92Å; P149-L379 HydrophobicContact CB-CD1 4.26Å; P149-L379 HydrophobicContact CB-CD2 4.26Å; P149-L379 HydrophobicContact CB-CG 4.38Å; P149-L379 HydrophobicContact CG-CD1 4.2Å; A150-L379 CarbonylContact O-C 3.5Å; A150-L379 WeakPolarHBondContact O-CA 3.43Å; V151-L379 HydrophobicContact CB-CD2 4.45Å; V151-L379 HydrophobicContact CG2-CD2 3.81Å; Q370-L379 CarbonylContact C-O 3.58Å; Q370-L379 WeakPolarHBondContact CA-O 3.36Å; T371-L379 PolarHBondContact N-O 2.94Å; T371-L379 PolarHBondContact O-N 3.01Å; T371-L379 WeakPolarHBondContact OG1-CB 3.43Å; P377-L379 HydrophobicContact CB-CD2 4.12Å; P377-L379 HydrophobicContact CG-CD2 3.83Å; P377-L379 HydrophobicContact CG-CG 4.15Å; P377-L379 PolarHBondContact O-N 3.05Å; L379-Y381 HydrophobicContact CB-CD2 4.33Å; L379-Y381 HydrophobicContact CB-CE2 3.72Å; L379-Y381 HydrophobicContact CD1-CE2 4.2Å
380	L	98	Very high	96.6	Very high	26 Å²	26	32.4 Å²	32.4	14%	0.136	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126.9	170.4	-178.7	69.5	0	0	0	109.6	P149 A150 L152 E368 Q370	P149-L380 CarbonylContact C-O 3.38Å; P149-L380 VanDerWaalsContact CA-O 3.23Å; P149-L380 WeakPolarHBondContact CA-O 3.45Å; A150-L380 HydrophobicContact CB-CB 4.43Å; A150-L380 PolarHBondContact N-O 3.1Å; A150-L380 PolarHBondContact O-N 3.11Å; L152-L380 HydrophobicContact CD1-CB 3.91Å; L152-L380 HydrophobicContact CD2-CB 3.94Å; L152-L380 HydrophobicContact CD2-CD2 4.14Å; L152-L380 HydrophobicContact CG-CB 3.79Å; E368-L380 HydrophobicContact CB-CD1 4.03Å; E368-L380 HydrophobicContact CG-CD1 4.24Å; Q370-L380 HydrophobicContact CG-CD1 3.68Å
381	Y	98.2	Very high	96.7	Very high	17 Å²	17	29.7 Å²	29.7	7%	0.067	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.2	176.5	-70.1	-95	0	0	0	109.9	P149 P332 E368 F369 T371 L379	P149-Y381 HydrophobicContact CB-CD1 3.87Å; P149-Y381 HydrophobicContact CB-CD2 4.16Å; P149-Y381 HydrophobicContact CB-CE1 3.55Å; P149-Y381 HydrophobicContact CB-CE2 3.84Å; P149-Y381 HydrophobicContact CB-CG 4.17Å; P149-Y381 HydrophobicContact CG-CD1 4.4Å; P149-Y381 HydrophobicContact CG-CE1 3.68Å; P149-Y381 HydrophobicContact CG-CE2 4.47Å; P332-Y381 HydrophobicContact CB-CD1 3.86Å; P332-Y381 HydrophobicContact CB-CE1 4.43Å; P332-Y381 HydrophobicContact CG-CD1 3.9Å; P332-Y381 HydrophobicContact CG-CG 4.44Å; E368-Y381 CarbonylContact C-O 3.6Å; E368-Y381 WeakPolarHBondContact CA-O 3.36Å; E368-Y381 WeakPolarHBondContact CB-O 3.23Å; F369-Y381 HydrophobicContact CD2-CD2 4.29Å; F369-Y381 HydrophobicContact CE1-CG 4.1Å; F369-Y381 AromaticContact CE2-CD2 3.66Å; F369-Y381 HydrophobicContact CE2-CD2 3.66Å; F369-Y381 HydrophobicContact CE2-CE2 4.38Å; F369-Y381 AromaticContact CE2-CG 3.92Å; F369-Y381 HydrophobicContact CE2-CG 3.92Å; F369-Y381 VanDerWaalsContact CZ-CB 3.45Å; F369-Y381 HydrophobicContact CZ-CD1 4.26Å; F369-Y381 AromaticContact CZ-CD2 3.87Å; F369-Y381 HydrophobicContact CZ-CD2 3.87Å; F369-Y381 AromaticContact CZ-CG 3.61Å; F369-Y381 HydrophobicContact CZ-CG 3.61Å; F369-Y381 PolarHBondContact N-O 3.46Å; F369-Y381 PolarHBondContact O-N 3.21Å; T371-Y381 HydrophobicContact CG2-CD2 4.11Å; T371-Y381 HydrophobicContact CG2-CE2 3.79Å; L379-Y381 HydrophobicContact CB-CD2 4.33Å; L379-Y381 HydrophobicContact CB-CE2 3.72Å; L379-Y381 HydrophobicContact CD1-CE2 4.2Å
382	Q	98.1	Very high	96.8	Very high	67 Å²	67	29.4 Å²	29.4	31%	0.313	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	142.4	164.7	-62.3	-62.4	-34.9	0	0	109.1	I147 H367 E368	I147-Q382 HydrophobicContact CD1-CB 4.29Å; I147-Q382 HydrophobicContact CG2-CB 4.38Å; I147-Q382 WeakPolarHBondContact CG2-O 3.31Å; H367-Q382 CarbonylContact O-C 3.58Å; H367-Q382 PolarHBondContact O-OE1 3.4Å; E368-Q382 PolarHBondContact OE2-NE2 2.91Å
383	I	98	Very high	97	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	133.3	180	-170.5	174.7	0	0	0	110.7	L326 F331 P332 H367 F369 L385	L326-I383 HydrophobicContact CD2-CD1 4.03Å; F331-I383 HydrophobicContact CD2-CD1 3.72Å; F331-I383 HydrophobicContact CE2-CD1 4.19Å; P332-I383 HydrophobicContact CG-CB 4.4Å; H367-I383 WeakPolarHBondContact CA-O 3.46Å; H367-I383 HydrophobicContact CB-CG2 3.93Å; H367-I383 PolarHBondContact N-O 3.41Å; H367-I383 PolarHBondContact O-N 2.77Å; H367-I383 VanDerWaalsContact O-O 3.11Å; F369-I383 HydrophobicContact CD1-CG2 3.93Å; F369-I383 HydrophobicContact CE1-CB 4.31Å; F369-I383 HydrophobicContact CE1-CD1 4.43Å; F369-I383 HydrophobicContact CE1-CG2 4.16Å; I383-L385 HydrophobicContact CD1-CD2 3.72Å; I383-L385 HydrophobicContact CD1-CG 4.22Å; I383-L385 HydrophobicContact CG1-CD2 3.95Å; I383-L385 HydrophobicContact CG1-CG 4.15Å; I383-L385 HydrophobicContact CG2-CG 4.43Å
384	R	98.1	Very high	97.2	Very high	66 Å²	66	23.4 Å²	23.4	25%	0.249	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.2	172.7	-169.4	171.4	-70.7	169.3	-1.1	109.8	Y143 N144 L364 Q365 D366	Y143-R384 HydrophobicContact CD1-CB 3.68Å; Y143-R384 HydrophobicContact CE1-CB 4.08Å; N144-R384 PolarHBondContact ND2-O 2.75Å; N144-R384 PolarHBondContact OD1-N 2.87Å; L364-R384 HydrophobicContact CB-CG 3.94Å; L364-R384 HydrophobicContact CD2-CG 4.17Å; L364-R384 HydrophobicContact CG-CG 4.46Å; Q365-R384 CarbonylContact O-C 3.58Å; Q365-R384 WeakPolarHBondContact O-CA 3.36Å; D366-R384 IonicContact OD1-CZ 2.69Å; D366-R384 IonicContact OD1-NE 3.17Å; D366-R384 PolarHBondContact OD1-NE 2.82Å; D366-R384 IonicContact OD1-NH2 2.67Å; D366-R384 PolarHBondContact OD1-NH2 3.17Å; D366-R384 IonicContact OD2-NH2 2.73Å; D366-R384 PolarHBondContact OD2-NH2 2.99Å
385	L	97.9	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.8	-178.2	-63.7	179.8	0	0	0	111.3	F322 L326 F354 Q365 I383 K389	F322-L385 HydrophobicContact CZ-CD1 4.18Å; L326-L385 HydrophobicContact CD2-CD1 4.09Å; L326-L385 HydrophobicContact CD2-CD2 3.34Å; L326-L385 HydrophobicContact CD2-CG 4.37Å; F354-L385 HydrophobicContact CB-CD1 4.28Å; F354-L385 HydrophobicContact CD2-CD1 3.71Å; F354-L385 HydrophobicContact CE2-CD1 4.24Å; F354-L385 HydrophobicContact CG-CD1 4.1Å; Q365-L385 PolarHBondContact N-O 3.2Å; Q365-L385 PolarHBondContact O-N 2.83Å; I383-L385 HydrophobicContact CD1-CD2 3.72Å; I383-L385 HydrophobicContact CD1-CG 4.22Å; I383-L385 HydrophobicContact CG1-CD2 3.95Å; I383-L385 HydrophobicContact CG1-CG 4.15Å; I383-L385 HydrophobicContact CG2-CG 4.43Å; L385-K389 HydrophobicContact CB-CD 3.92Å; L385-K389 HydrophobicContact CB-CG 4.05Å; L385-K389 HydrophobicContact CD1-CD 4.26Å; L385-K389 HydrophobicContact CD1-CG 4.15Å
386	G	96.8	Very high	97.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.			trans	-120.5	-123.7	179.5	0	0	0	0	0	111.8	V135 E388 K389	V135-G386 VanDerWaalsContact CG2-CA 3.47Å; G386-E388 VanDerWaalsContact C-OE2 3.22Å; G386-E388 VanDerWaalsContact CA-OE2 3.28Å; G386-E388 WeakPolarHBondContact CA-OE2 3.31Å; G386-E388 PolarHBondContact N-OE2 3.39Å; G386-E388 PolarHBondContact O-N 3.12Å; G386-K389 VanDerWaalsContact O-CE 3.28Å; G386-K389 WeakPolarHBondContact O-CE 3.2Å
387	D	97.1	Very high	97.9	Very high	9 Å²	9	14.2 Å²	14.2	5%	0.048	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.8	-175.7	-67.2	-35.8	0	0	0	113.4	R132 P134 V135 K389 L390 Q391	R132-D387 IonicContact CZ-OD1 3.28Å; R132-D387 IonicContact NE-OD1 2.8Å; R132-D387 PolarHBondContact NE-OD1 3.45Å; R132-D387 IonicContact NH2-OD1 3.93Å; R132-D387 PolarHBondContact NH2-OD1 3.48Å; P134-D387 WeakPolarHBondContact CA-OD2 3.41Å; V135-D387 HydrophobicContact CG2-CB 4.36Å; V135-D387 PolarHBondContact N-OD2 3.2Å; D387-K389 PolarHBondContact O-N 3.41Å; D387-K389 VanDerWaalsContact O-N 3.13Å; D387-L390 PolarHBondContact O-N 3.27Å; D387-Q391 HydrophobicContact CB-CG 4.31Å; D387-Q391 WeakPolarHBondContact O-CB 3.43Å; D387-Q391 VanDerWaalsContact O-CG 3.27Å; D387-Q391 WeakPolarHBondContact O-CG 3.28Å; D387-Q391 PolarHBondContact O-N 2.96Å
388	E	97.9	Very high	98	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.019	6%	0.06	C	C	.	.	H	α-helix	trans	-56	-34.9	178.8	-58.3	81	-173.6	0	0	111.9	F322 L325 A329 G386 L390 A392	F322-E388 HydrophobicContact CE2-CB 4.31Å; L325-E388 HydrophobicContact CB-CB 3.83Å; L325-E388 HydrophobicContact CB-CG 3.74Å; L325-E388 HydrophobicContact CD1-CB 4.33Å; A329-E388 HydrophobicContact CB-CG 4.47Å; G386-E388 VanDerWaalsContact C-OE2 3.22Å; G386-E388 VanDerWaalsContact CA-OE2 3.28Å; G386-E388 WeakPolarHBondContact CA-OE2 3.31Å; G386-E388 PolarHBondContact N-OE2 3.39Å; G386-E388 PolarHBondContact O-N 3.12Å; E388-L390 VanDerWaalsContact C-N 3.27Å; E388-L390 PolarHBondContact O-N 3.03Å; E388-A392 PolarHBondContact O-N 2.94Å; E388-A392 VanDerWaalsContact O-N 3.13Å
389	K	98.4	Very high	98.1	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-63.5	-30	178.7	-64.6	-177.5	-69.5	144.9	0	113.2	F322 F354 C355 H356 L385 G386 D387 P393	F322-K389 HydrophobicContact CE2-CG 4.41Å; F354-K389 HydrophobicContact CB-CD 4.14Å; F354-K389 HydrophobicContact CB-CG 4.16Å; F354-K389 WeakPolarHBondContact O-CB 3.44Å; F354-K389 WeakPolarHBondContact O-CD 3.47Å; C355-K389 VanDerWaalsContact CA-O 3.24Å; C355-K389 WeakPolarHBondContact CA-O 3.44Å; H356-K389 PolarHBondContact N-O 3.17Å; L385-K389 HydrophobicContact CB-CD 3.92Å; L385-K389 HydrophobicContact CB-CG 4.05Å; L385-K389 HydrophobicContact CD1-CD 4.26Å; L385-K389 HydrophobicContact CD1-CG 4.15Å; G386-K389 VanDerWaalsContact O-CE 3.28Å; G386-K389 WeakPolarHBondContact O-CE 3.2Å; D387-K389 PolarHBondContact O-N 3.41Å; D387-K389 VanDerWaalsContact O-N 3.13Å; K389-P393 VanDerWaalsContact O-CD 3.27Å; K389-P393 WeakPolarHBondContact O-CD 3.42Å
390	L	98.5	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-96.5	-38.8	178.1	178.1	60.6	0	0	0	111.7	I121 H356 L357 D387 E388 A392 P393 M394	I121-L390 HydrophobicContact CD1-CD2 3.95Å; I121-L390 HydrophobicContact CD1-CG 3.98Å; I121-L390 HydrophobicContact CG1-CD2 4Å; I121-L390 HydrophobicContact CG1-CG 4.29Å; I121-L390 HydrophobicContact CG2-CD2 4.06Å; H356-L390 WeakPolarHBondContact O-CD1 3.45Å; L357-L390 HydrophobicContact CD2-CD1 4.32Å; D387-L390 PolarHBondContact O-N 3.27Å; E388-L390 VanDerWaalsContact C-N 3.27Å; E388-L390 PolarHBondContact O-N 3.03Å; L390-A392 PolarHBondContact O-N 2.87Å; L390-P393 WeakPolarHBondContact O-CD 3.23Å; L390-M394 HydrophobicContact CD1-CG 4.39Å; L390-M394 HydrophobicContact CD1-SD 4.17Å; L390-M394 HydrophobicContact CG-SD 4.05Å; L390-M394 VanDerWaalsContact O-CG 3.3Å; L390-M394 WeakPolarHBondContact O-CG 3.41Å; L390-M394 PolarHBondContact O-N 3.01Å
391	Q	98.6	Very high	98	Very high	21 Å²	21	12.8 Å²	12.8	10%	0.098	6%	0.06	C	C	.	.	H	α-helix	trans	-61.1	-42.4	-179.4	-74.2	168.6	-29.1	0	0	112.3	L114 V117 D118 I121 L325 D387 M394 G395	L114-Q391 HydrophobicContact CD1-CB 4.15Å; L114-Q391 HydrophobicContact CD1-CG 4.17Å; V117-Q391 HydrophobicContact CG1-CB 4.14Å; V117-Q391 HydrophobicContact CG1-CG 4.06Å; D118-Q391 PolarHBondContact OD1-NE2 3.02Å; I121-Q391 HydrophobicContact CD1-CG 3.84Å; L325-Q391 HydrophobicContact CD1-CB 3.79Å; D387-Q391 HydrophobicContact CB-CG 4.31Å; D387-Q391 WeakPolarHBondContact O-CB 3.43Å; D387-Q391 VanDerWaalsContact O-CG 3.27Å; D387-Q391 WeakPolarHBondContact O-CG 3.28Å; D387-Q391 PolarHBondContact O-N 2.96Å; Q391-M394 PolarHBondContact O-N 2.78Å; Q391-G395 PolarHBondContact O-N 3.29Å
392	A	98.7	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.9	-54.4	-177.8	0	0	0	0	0	113.2	V318 I321 F322 L325 E388 L390 M394 G395	V318-A392 HydrophobicContact CG1-CB 4.23Å; I321-A392 HydrophobicContact CG2-CB 4.42Å; F322-A392 HydrophobicContact CB-CB 3.66Å; F322-A392 HydrophobicContact CD2-CB 3.86Å; F322-A392 HydrophobicContact CG-CB 4.17Å; L325-A392 HydrophobicContact CD1-CB 4.06Å; E388-A392 PolarHBondContact O-N 2.94Å; E388-A392 VanDerWaalsContact O-N 3.13Å; L390-A392 PolarHBondContact O-N 2.87Å; A392-M394 PolarHBondContact O-N 3.4Å; A392-G395 PolarHBondContact O-N 2.86Å
393	P	98.8	Very high	97.9	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.7	-32.8	174.4	-28.4	37	0	0	0	113.8	V318 C355 L357 K389 L390 G395 L396 F564	V318-P393 HydrophobicContact CG1-CG 4.49Å; C355-P393 HydrophobicContact CB-CG 3.51Å; L357-P393 HydrophobicContact CD1-CB 4.46Å; L357-P393 HydrophobicContact CD2-CB 3.72Å; L357-P393 HydrophobicContact CG-CB 3.9Å; K389-P393 VanDerWaalsContact O-CD 3.27Å; K389-P393 WeakPolarHBondContact O-CD 3.42Å; L390-P393 WeakPolarHBondContact O-CD 3.23Å; P393-G395 PolarHBondContact O-N 2.84Å; P393-G395 VanDerWaalsContact O-N 3.15Å; P393-L396 WeakPolarHBondContact O-CB 3.35Å; P393-L396 PolarHBondContact O-N 2.78Å; P393-L396 VanDerWaalsContact O-N 3.08Å; P393-F564 HydrophobicContact CB-CD1 4.37Å; P393-F564 HydrophobicContact CB-CD2 3.9Å; P393-F564 HydrophobicContact CB-CE1 4.35Å; P393-F564 HydrophobicContact CB-CE2 3.87Å; P393-F564 HydrophobicContact CB-CG 4.16Å; P393-F564 HydrophobicContact CB-CZ 4.11Å; P393-F564 HydrophobicContact CG-CD1 3.91Å; P393-F564 HydrophobicContact CG-CD2 4.32Å; P393-F564 HydrophobicContact CG-CE1 3.85Å; P393-F564 HydrophobicContact CG-CE2 4.27Å; P393-F564 HydrophobicContact CG-CG 4.15Å; P393-F564 HydrophobicContact CG-CZ 4.05Å
394	M	98.4	Very high	97.8	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.01	4%	0.044	C	C	.	.	H	α-helix	trans	-63.9	-16.8	176.4	-76.2	-171.3	63.5	0	0	113.6	V117 A120 I121 L357 L390 Q391 A392 L396 F397 Y398 F570	V117-M394 HydrophobicContact CG1-CB 3.64Å; V117-M394 HydrophobicContact CG1-CE 4.11Å; V117-M394 HydrophobicContact CG1-CG 4.45Å; V117-M394 HydrophobicContact CG1-SD 4.13Å; V117-M394 HydrophobicContact CG2-CB 4.16Å; A120-M394 HydrophobicContact CB-CE 3.66Å; I121-M394 HydrophobicContact CD1-SD 3.73Å; I121-M394 HydrophobicContact CG1-CE 3.77Å; I121-M394 HydrophobicContact CG1-SD 3.24Å; I121-M394 WeakPolarHBondContact CG1-SD 3.4Å; L357-M394 HydrophobicContact CD2-CG 3.89Å; L390-M394 HydrophobicContact CD1-CG 4.39Å; L390-M394 HydrophobicContact CD1-SD 4.17Å; L390-M394 HydrophobicContact CG-SD 4.05Å; L390-M394 VanDerWaalsContact O-CG 3.3Å; L390-M394 WeakPolarHBondContact O-CG 3.41Å; L390-M394 PolarHBondContact O-N 3.01Å; Q391-M394 PolarHBondContact O-N 2.78Å; A392-M394 PolarHBondContact O-N 3.4Å; M394-L396 PolarHBondContact O-N 2.81Å; M394-F397 PolarHBondContact O-N 2.95Å; M394-Y398 HydrophobicContact CE-CD2 4.47Å; M394-Y398 HydrophobicContact CE-CE2 3.99Å; M394-Y398 PolarHBondContact O-N 2.89Å; M394-Y398 VanDerWaalsContact O-N 3.14Å; M394-F570 HydrophobicContact CE-CZ 4.22Å; M394-F570 HydrophobicContact CG-CZ 4.06Å; M394-F570 HydrophobicContact SD-CE2 4.38Å; M394-F570 HydrophobicContact SD-CZ 4.21Å
395	G	98.2	Very high	97.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.1	168.5	0	0	0	0	0	113.6	Q391 A392 P393 F397 Y398 P399 F402	Q391-G395 PolarHBondContact O-N 3.29Å; A392-G395 PolarHBondContact O-N 2.86Å; P393-G395 PolarHBondContact O-N 2.84Å; P393-G395 VanDerWaalsContact O-N 3.15Å; G395-F397 PolarHBondContact O-N 2.89Å; G395-Y398 CarbonylContact O-C 3.56Å; G395-Y398 PolarHBondContact O-N 3.02Å; G395-P399 WeakPolarHBondContact O-CA 3.13Å; G395-P399 VanDerWaalsContact O-N 3.08Å; G395-F402 VanDerWaalsContact C-CZ 3.45Å; G395-F402 WeakPolarHBondContact O-CE2 3.49Å; G395-F402 WeakPolarHBondContact O-CZ 3.11Å
396	L	98.6	Very high	97.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.4	175.3	-64.2	173.1	0	0	0	112.9	V288 Y313 V318 P393 M394 F402 L531 L562 F564	V288-L396 HydrophobicContact CG1-CD1 4.48Å; Y313-L396 HydrophobicContact CD2-CD2 3.71Å; Y313-L396 HydrophobicContact CE2-CB 4.5Å; Y313-L396 HydrophobicContact CE2-CD2 3.77Å; Y313-L396 PolarHBondContact OH-O 3.23Å; V318-L396 HydrophobicContact CG2-CD1 4.09Å; V318-L396 HydrophobicContact CG2-CD2 3.75Å; V318-L396 HydrophobicContact CG2-CG 3.68Å; P393-L396 WeakPolarHBondContact O-CB 3.35Å; P393-L396 PolarHBondContact O-N 2.78Å; P393-L396 VanDerWaalsContact O-N 3.08Å; M394-L396 PolarHBondContact O-N 2.81Å; L396-F402 HydrophobicContact CD2-CZ 4.26Å; L396-L531 WeakPolarHBondContact O-CB 3.48Å; L396-L531 PolarHBondContact O-N 2.85Å; L396-L562 HydrophobicContact CD1-CD1 3.35Å; L396-F564 HydrophobicContact CD1-CE2 4.08Å
397	F	98.4	Very high	97.2	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.018	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-18.2	178.4	-56	-89.1	0	0	0	112.4	L357 M394 G395 L531 D532 F570 L571	L357-F397 HydrophobicContact CD1-CE2 4.13Å; L357-F397 HydrophobicContact CD2-CE2 4.31Å; M394-F397 PolarHBondContact O-N 2.95Å; G395-F397 PolarHBondContact O-N 2.89Å; F397-L531 HydrophobicContact CD1-CB 4.26Å; F397-L531 HydrophobicContact CE1-CB 4.28Å; F397-L531 HydrophobicContact CE1-CD2 4.38Å; F397-L531 HydrophobicContact CZ-CD2 4.33Å; F397-D532 HydrophobicContact CD1-CB 4Å; F397-D532 HydrophobicContact CE1-CB 4.32Å; F397-F570 HydrophobicContact CD1-CE1 4.32Å; F397-F570 AromaticContact CD2-CE1 3.74Å; F397-F570 HydrophobicContact CD2-CE1 3.74Å; F397-F570 HydrophobicContact CD2-CZ 4.49Å; F397-F570 HydrophobicContact CE1-CD1 4.34Å; F397-F570 HydrophobicContact CE1-CE1 4.02Å; F397-F570 AromaticContact CE2-CD1 3.88Å; F397-F570 HydrophobicContact CE2-CD1 3.88Å; F397-F570 AromaticContact CE2-CE1 3.42Å; F397-F570 HydrophobicContact CE2-CE1 3.42Å; F397-F570 VanDerWaalsContact CE2-CE1 3.42Å; F397-F570 HydrophobicContact CE2-CZ 4.47Å; F397-F570 HydrophobicContact CG-CE1 4.18Å; F397-F570 AromaticContact CZ-CD1 3.72Å; F397-F570 HydrophobicContact CZ-CD1 3.72Å; F397-F570 AromaticContact CZ-CE1 3.57Å; F397-F570 HydrophobicContact CZ-CE1 3.57Å; F397-L571 HydrophobicContact CE1-CD1 3.82Å; F397-L571 HydrophobicContact CZ-CD1 4.38Å
398	Y	98.1	Very high	96.9	Very high	32 Å²	32	17.4 Å²	17.4	13%	0.125	10%	0.104	C	C	.	.	S	Bend	trans	-132.9	68.5	178.6	-59.4	-87.4	0	0	0	109.9	M116 V117 A120 M394 G395 S400 T401 R574	M116-Y398 HydrophobicContact CB-CD1 3.64Å; M116-Y398 HydrophobicContact CB-CE1 4.03Å; M116-Y398 HydrophobicContact CB-CG 4.34Å; M116-Y398 HydrophobicContact CE-CD1 3.95Å; M116-Y398 HydrophobicContact CE-CE1 4.08Å; M116-Y398 HydrophobicContact SD-CD1 4.39Å; V117-Y398 HydrophobicContact CG2-CD2 3.77Å; V117-Y398 HydrophobicContact CG2-CG 3.93Å; A120-Y398 HydrophobicContact CB-CE2 3.74Å; A120-Y398 WeakPolarHBondContact CB-OH 3.48Å; M394-Y398 HydrophobicContact CE-CD2 4.47Å; M394-Y398 HydrophobicContact CE-CE2 3.99Å; M394-Y398 PolarHBondContact O-N 2.89Å; M394-Y398 VanDerWaalsContact O-N 3.14Å; G395-Y398 CarbonylContact O-C 3.56Å; G395-Y398 PolarHBondContact O-N 3.02Å; Y398-S400 PolarHBondContact O-N 3.39Å; Y398-S400 VanDerWaalsContact O-N 3.08Å; Y398-T401 VanDerWaalsContact O-CB 3.26Å; Y398-T401 WeakPolarHBondContact O-CB 3.21Å; Y398-T401 PolarHBondContact O-N 3.48Å; Y398-T401 PolarHBondContact O-OG1 2.99Å; Y398-R574 PolarHBondContact OH-NH1 3Å; Y398-R574 PolarHBondContact OH-NH2 3.22Å
399	P	97.4	Very high	96.7	Very high	8 Å²	8	17.4 Å²	17.4	5%	0.052	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-70.5	-8.7	-168	28.7	-38.4	0	0	0	114.4	Y313 G395 T401 F402 A528	Y313-P399 HydrophobicContact CD1-CB 4.04Å; Y313-P399 HydrophobicContact CE1-CB 3.74Å; Y313-P399 HydrophobicContact CE1-CG 4.06Å; G395-P399 WeakPolarHBondContact O-CA 3.13Å; G395-P399 VanDerWaalsContact O-N 3.08Å; P399-T401 PolarHBondContact O-N 2.87Å; P399-F402 HydrophobicContact CB-CD2 3.68Å; P399-F402 HydrophobicContact CB-CE2 3.78Å; P399-F402 VanDerWaalsContact O-CB 3.32Å; P399-F402 WeakPolarHBondContact O-CB 3.26Å; P399-F402 VanDerWaalsContact O-CD2 3.29Å; P399-F402 WeakPolarHBondContact O-CD2 3.42Å; P399-F402 PolarHBondContact O-N 2.73Å; P399-A528 HydrophobicContact CB-CB 3.64Å; P399-A528 HydrophobicContact CG-CB 3.51Å; P399-A528 WeakPolarHBondContact CG-O 3.34Å
400	S	96.5	Very high	96.4	Very high	34 Å²	34	17.2 Å²	17.2	24%	0.238	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-57.1	-27.4	164.8	47.8	0	0	0	0	112.2	Q109 G113 Y398 F402 G403	Q109-S400 CarbonylContact C-O 3.51Å; G113-S400 WeakPolarHBondContact CA-OG 3.49Å; Y398-S400 PolarHBondContact O-N 3.39Å; Y398-S400 VanDerWaalsContact O-N 3.08Å; S400-F402 PolarHBondContact O-N 3.24Å; S400-F402 VanDerWaalsContact O-N 3.16Å; S400-G403 PolarHBondContact O-N 2.84Å
401	T	97.4	Very high	96.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.4	173.6	-46.5	0	0	0	0	111.8	R110 G113 L114 I321 Y398 P399 G403	R110-T401 VanDerWaalsContact CG-O 3.32Å; R110-T401 WeakPolarHBondContact CG-O 3.44Å; G113-T401 WeakPolarHBondContact CA-OG1 3.43Å; G113-T401 PolarHBondContact O-OG1 3.4Å; L114-T401 HydrophobicContact CB-CG2 4.38Å; I321-T401 WeakPolarHBondContact CD1-O 3.44Å; I321-T401 HydrophobicContact CG2-CG2 4.11Å; Y398-T401 VanDerWaalsContact O-CB 3.26Å; Y398-T401 WeakPolarHBondContact O-CB 3.21Å; Y398-T401 PolarHBondContact O-N 3.48Å; Y398-T401 PolarHBondContact O-OG1 2.99Å; P399-T401 PolarHBondContact O-N 2.87Å; T401-G403 PolarHBondContact O-N 3.29Å
402	F	97.8	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-67.9	-21.3	176.2	-60	-47.5	0	0	0	112.9	Y313 D317 V318 R320 I321 G395 L396 P399 S400 I404	Y313-F402 HydrophobicContact CD1-CE2 4.39Å; Y313-F402 AromaticContact CD2-CE2 3.7Å; Y313-F402 HydrophobicContact CD2-CE2 3.7Å; Y313-F402 HydrophobicContact CD2-CZ 4.38Å; Y313-F402 HydrophobicContact CE2-CE2 4.33Å; Y313-F402 HydrophobicContact CG-CD2 4.21Å; Y313-F402 AromaticContact CG-CE2 3.74Å; Y313-F402 HydrophobicContact CG-CE2 3.74Å; D317-F402 HydrophobicContact CB-CD1 3.59Å; D317-F402 HydrophobicContact CB-CD2 4.26Å; D317-F402 HydrophobicContact CB-CE1 3.62Å; D317-F402 HydrophobicContact CB-CE2 4.26Å; D317-F402 HydrophobicContact CB-CG 3.96Å; D317-F402 HydrophobicContact CB-CZ 3.96Å; V318-F402 HydrophobicContact CG2-CE1 4.34Å; V318-F402 HydrophobicContact CG2-CZ 4.25Å; R320-F402 PolarHBondContact NH1-O 3.28Å; R320-F402 PolarHBondContact NH2-O 3.37Å; I321-F402 HydrophobicContact CG1-CD1 3.55Å; I321-F402 HydrophobicContact CG1-CE1 4.12Å; G395-F402 VanDerWaalsContact C-CZ 3.45Å; G395-F402 WeakPolarHBondContact O-CE2 3.49Å; G395-F402 WeakPolarHBondContact O-CZ 3.11Å; L396-F402 HydrophobicContact CD2-CZ 4.26Å; P399-F402 HydrophobicContact CB-CD2 3.68Å; P399-F402 HydrophobicContact CB-CE2 3.78Å; P399-F402 VanDerWaalsContact O-CB 3.32Å; P399-F402 WeakPolarHBondContact O-CB 3.26Å; P399-F402 VanDerWaalsContact O-CD2 3.29Å; P399-F402 WeakPolarHBondContact O-CD2 3.42Å; P399-F402 PolarHBondContact O-N 2.73Å; S400-F402 PolarHBondContact O-N 3.24Å; S400-F402 VanDerWaalsContact O-N 3.16Å; F402-I404 VanDerWaalsContact C-N 3.34Å; F402-I404 HydrophobicContact CB-CD1 3.68Å; F402-I404 HydrophobicContact CB-CG1 3.97Å; F402-I404 HydrophobicContact CG-CD1 4.48Å
403	G	96.6	Very high	94.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.			trans	63.3	38	179.6	0	0	0	0	0	112.9	G100 S106 Q109 S400 T401	G100-G403 VanDerWaalsContact O-O 3.09Å; S106-G403 VanDerWaalsContact CB-O 3.24Å; S106-G403 WeakPolarHBondContact CB-O 3.47Å; S106-G403 PolarHBondContact OG-O 3.45Å; Q109-G403 VanDerWaalsContact OE1-C 3.3Å; Q109-G403 VanDerWaalsContact OE1-CA 3.27Å; S400-G403 PolarHBondContact O-N 2.84Å; T401-G403 PolarHBondContact O-N 3.29Å
404	I	96.7	Very high	93.3	Very high	9 Å²	9	26.6 Å²	26.6	5%	0.046	15%	0.152	C	C	.	.			trans	-97.7	117.6	-179.6	-59.2	160	0	0	0	108.3	G100 L101 Q109 F402 Q407 M409	G100-I404 WeakPolarHBondContact O-CA 3.23Å; L101-I404 HydrophobicContact CD2-CG1 3.54Å; Q109-I404 VanDerWaalsContact OE1-N 3.09Å; Q109-I404 PolarHBondContact OE1-O 3.38Å; F402-I404 VanDerWaalsContact C-N 3.34Å; F402-I404 HydrophobicContact CB-CD1 3.68Å; F402-I404 HydrophobicContact CB-CG1 3.97Å; F402-I404 HydrophobicContact CG-CD1 4.48Å; I404-Q407 HydrophobicContact CG2-CB 3.92Å; I404-Q407 HydrophobicContact CG2-CG 3.91Å; I404-M409 HydrophobicContact CB-CE 4.25Å; I404-M409 HydrophobicContact CB-SD 4.02Å; I404-M409 HydrophobicContact CD1-CE 3.74Å; I404-M409 HydrophobicContact CD1-SD 4.32Å; I404-M409 HydrophobicContact CG2-CE 4.36Å; I404-M409 HydrophobicContact CG2-SD 3.55Å; I404-M409 VanDerWaalsContact CG2-SD 3.55Å
405	V	94.9	Very high	91.3	Very high	28 Å²	28	38.1 Å²	38.1	17%	0.17	20%	0.195	C	C	.	.			trans	-123.8	142	-174.7	-179	0	0	0	0	110.6	G100 K103 E105	G100-V405 WeakPolarHBondContact CA-O 3.37Å; G100-V405 PolarHBondContact O-N 3.36Å; K103-V405 HydrophobicContact CB-CB 3.98Å; K103-V405 HydrophobicContact CB-CG1 4.2Å; K103-V405 HydrophobicContact CG-CB 4.05Å; K103-V405 HydrophobicContact CG-CG1 4.36Å; E105-V405 HydrophobicContact CB-CG2 4.34Å
406	G	91.3	Very high	89.3	Confident	71 Å²	71	40.7 Å²	40.7	73%	0.732	21%	0.213	S	C	*	.	S	Bend	trans	72.6	29.5	175	0	0	0	0	0	114
407	Q	92.9	Very high	87.1	Confident	51 Å²	51	49.6 Å²	49.6	24%	0.238	25%	0.254	C	S	.	.	S	Bend	trans	-129.6	152.1	-179.3	-63.5	-69.7	-49.5	0	0	109.8	E99 I404 M409	E99-Q407 PolarHBondContact OE2-NE2 2.99Å; E99-Q407 VanDerWaalsContact OE2-NE2 3.11Å; I404-Q407 HydrophobicContact CG2-CB 3.92Å; I404-Q407 HydrophobicContact CG2-CG 3.91Å; Q407-M409 HydrophobicContact CB-SD 4.3Å; Q407-M409 PolarHBondContact O-N 3.18Å
408	K	91.8	Very high	84.9	Confident	97 Å²	97	50.6 Å²	50.6	42%	0.422	27%	0.266	S	S	.	.			trans	-72.7	111	170.7	179.6	164.4	177	153.4	0	109	T410 S411 E525	K408-T410 WeakPolarHBondContact CE-O 3.29Å; K408-S411 WeakPolarHBondContact CE-OG 3.43Å; K408-E525 WeakPolarHBondContact CE-OE2 3.24Å; K408-E525 HydrophobicContact CG-CB 4.41Å; K408-E525 IonicContact NZ-OE1 2.74Å; K408-E525 PolarHBondContact NZ-OE1 3.16Å; K408-E525 IonicContact NZ-OE2 2.75Å; K408-E525 PolarHBondContact NZ-OE2 2.93Å
409	M	93.1	Very high	83.2	Confident	4 Å²	4	51 Å²	51	2%	0.02	27%	0.27	C	S	.	.			trans	-98	-26.8	-173.9	-67.6	-56.2	-64	0	0	113	L311 A312 Y313 I404 Q407 E525 A528	L311-M409 WeakPolarHBondContact CA-O 3.32Å; A312-M409 PolarHBondContact N-O 3.14Å; Y313-M409 HydrophobicContact CD1-CE 4.22Å; I404-M409 HydrophobicContact CB-CE 4.25Å; I404-M409 HydrophobicContact CB-SD 4.02Å; I404-M409 HydrophobicContact CD1-CE 3.74Å; I404-M409 HydrophobicContact CD1-SD 4.32Å; I404-M409 HydrophobicContact CG2-CE 4.36Å; I404-M409 HydrophobicContact CG2-SD 3.55Å; I404-M409 VanDerWaalsContact CG2-SD 3.55Å; Q407-M409 HydrophobicContact CB-SD 4.3Å; Q407-M409 PolarHBondContact O-N 3.18Å; M409-E525 PolarHBondContact N-O 3.04Å; M409-A528 HydrophobicContact CB-CB 3.8Å; M409-A528 HydrophobicContact CE-CB 3.78Å; M409-A528 HydrophobicContact CG-CB 4Å
410	T	91.9	Very high	81.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.8	-179.3	-53.5	0	0	0	0	108.7	L309 L311 K408 F524 E525 K527	L309-T410 HydrophobicContact CD2-CG2 3.81Å; L311-T410 HydrophobicContact CD2-CG2 3.96Å; K408-T410 WeakPolarHBondContact CE-O 3.29Å; T410-F524 HydrophobicContact CG2-CD1 4.34Å; T410-F524 HydrophobicContact CG2-CE1 3.92Å; T410-E525 PolarHBondContact N-O 2.93Å; T410-E525 WeakPolarHBondContact O-CA 3.3Å; T410-E525 WeakPolarHBondContact O-CB 3.34Å; T410-E525 WeakPolarHBondContact O-CG 3.45Å; T410-K527 PolarHBondContact OG1-O 3.3Å
411	S	91.3	Very high	79.6	Confident	31 Å²	31	60.3 Å²	60.3	22%	0.217	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	173.9	-56.6	0	0	0	0	109.7	C310 K408	C310-S411 PolarHBondContact N-O 3.06Å; C310-S411 PolarHBondContact O-N 3.46Å; K408-S411 WeakPolarHBondContact CE-OG 3.43Å
412	L	87.3	Confident	78.2	Confident	37 Å²	37	60.8 Å²	60.8	19%	0.194	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	155.3	170.4	-68.4	168.1	0	0	0	109.1	L309 H414 F524	L309-L412 HydrophobicContact CD2-CD2 3.34Å; L309-L412 HydrophobicContact CD2-CG 4.29Å; L309-L412 HydrophobicContact CG-CD2 3.94Å; L412-H414 PolarHBondContact O-N 3.37Å; L412-H414 VanDerWaalsContact O-N 3.16Å; L412-F524 HydrophobicContact CD1-CD1 4.02Å; L412-F524 HydrophobicContact CD1-CE1 4.02Å; L412-F524 HydrophobicContact CG-CE1 4.4Å
413	Q	81.3	Confident	76.4	Confident	60 Å²	60	64 Å²	64	28%	0.28	34%	0.344	S	S	.	.			trans	-71.5	107.7	169.3	-174.4	69.1	56.3	0	0	109.1	I243 R308	I243-Q413 HydrophobicContact CG1-CB 4.38Å; R308-Q413 HydrophobicContact CB-CB 4.19Å
414	H	68.9	Low	74.9	Confident	91 Å²	91	69.3 Å²	69.3	42%	0.421	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-82.7	156.4	171.2	-67.4	-64.8	0	0	0	111.2	L412 S416 E525	L412-H414 PolarHBondContact O-N 3.37Å; L412-H414 VanDerWaalsContact O-N 3.16Å; H414-S416 PolarHBondContact O-N 3.01Å; H414-E525 IonicContact CD2-OE1 3.33Å; H414-E525 IonicContact CE1-OE1 2.68Å; H414-E525 IonicContact NE2-OE1 3.92Å; H414-E525 PolarHBondContact NE2-OE1 2.85Å
415	R	57.4	Low	73.6	Confident	243 Å²	243	69.4 Å²	69.4	92%	0.917	37%	0.369	S	S	*	.	S	Bend	trans	-58.2	132.2	162.6	-83.2	-173.7	176.7	-173.9	-2.4	107.8	Q417	R415-Q417 PolarHBondContact O-N 3.16Å
416	S	56.5	Low	72.2	Confident	54 Å²	54	75.2 Å²	75.2	38%	0.378	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-51.8	133.8	-169	-164.2	0	0	0	0	111.8	R246 H414 G418	R246-S416 PolarHBondContact NH1-OG 3.29Å; H414-S416 PolarHBondContact O-N 3.01Å; S416-G418 PolarHBondContact O-N 3.5Å
417	Q	50.8	Low	71	Confident	187 Å²	187	77.4 Å²	77.4	87%	0.874	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-64.9	118.7	151.4	-66	-179	-0.4	0	0	104.9	R415	R415-Q417 PolarHBondContact O-N 3.16Å
418	G	52.7	Low	69.8	Low	25 Å²	25	78.9 Å²	78.9	26%	0.258	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-62.3	155.4	-173.9	0	0	0	0	0	113.1	S416 D425	S416-G418 PolarHBondContact O-N 3.5Å; G418-D425 WeakPolarHBondContact CA-OD1 3.44Å; G418-D425 WeakPolarHBondContact CA-OD2 3.43Å
419	N	62.1	Low	68.8	Low	42 Å²	42	77.4 Å²	77.4	23%	0.225	39%	0.386	C	S	.	.			trans	-85.3	112.6	175.5	-176.9	6.9	0	0	0	110.7	E421 D422 D425	N419-E421 PolarHBondContact O-N 2.92Å; N419-E421 PolarHBondContact OD1-N 3.45Å; N419-D422 HydrophobicContact CB-CB 3.87Å; N419-D422 PolarHBondContact O-N 2.87Å; N419-D422 VanDerWaalsContact O-N 3.16Å; N419-D425 HydrophobicContact CB-CB 4.42Å; N419-D425 PolarHBondContact N-OD1 3.39Å; N419-D425 PolarHBondContact N-OD2 3.33Å
420	S	57.9	Low	67.7	Low	99 Å²	99	81.9 Å²	81.9	69%	0.692	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.6	178.1	55	0	0	0	0	114	D422	S420-D422 VanDerWaalsContact C-N 3.32Å
421	E	61.5	Low	66.4	Low	137 Å²	137	84.3 Å²	84.3	64%	0.64	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.6	177.5	-59	-171.9	153.2	0	0	113	K250 N419 P423	K250-E421 IonicContact NZ-OE2 2.63Å; K250-E421 PolarHBondContact NZ-OE2 3.08Å; N419-E421 PolarHBondContact O-N 2.92Å; N419-E421 PolarHBondContact OD1-N 3.45Å; E421-P423 WeakPolarHBondContact O-CD 3.24Å
422	D	67.2	Low	65.1	Low	11 Å²	11	85.3 Å²	85.3	6%	0.059	43%	0.431	C	S	.	.			trans	-110.9	105.2	-177.7	-179.9	11.3	0	0	0	110.7	N419 S420 H424 D425 Y428 R637	N419-D422 HydrophobicContact CB-CB 3.87Å; N419-D422 PolarHBondContact O-N 2.87Å; N419-D422 VanDerWaalsContact O-N 3.16Å; S420-D422 VanDerWaalsContact C-N 3.32Å; D422-H424 PolarHBondContact O-N 2.86Å; D422-H424 PolarHBondContact OD1-N 3.45Å; D422-D425 HydrophobicContact CB-CB 3.9Å; D422-D425 WeakPolarHBondContact O-CB 3.47Å; D422-D425 PolarHBondContact O-N 3.04Å; D422-Y428 VanDerWaalsContact O-CB 3.3Å; D422-Y428 WeakPolarHBondContact O-CB 3.32Å; D422-R637 VanDerWaalsContact CG-NH1 3.32Å; D422-R637 IonicContact OD1-CZ 3.98Å; D422-R637 IonicContact OD1-NH1 3.74Å; D422-R637 PolarHBondContact OD1-NH1 2.58Å; D422-R637 IonicContact OD1-NH2 2.73Å; D422-R637 PolarHBondContact OD1-NH2 2.84Å; D422-R637 IonicContact OD2-CZ 3.01Å; D422-R637 IonicContact OD2-NE 3.29Å; D422-R637 IonicContact OD2-NH1 3.99Å; D422-R637 PolarHBondContact OD2-NH1 2.83Å; D422-R637 IonicContact OD2-NH2 3.92Å; D422-R637 PolarHBondContact OD2-NH2 2.83Å
423	P	60.5	Low	63.9	Low	68 Å²	68	89.2 Å²	89.2	44%	0.442	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.6	-177.4	-23.9	34.1	0	0	0	114.8	E421 Y428 L429	E421-P423 WeakPolarHBondContact O-CD 3.24Å; P423-Y428 VanDerWaalsContact CA-CD1 3.47Å; P423-Y428 VanDerWaalsContact CA-CE1 3.49Å; P423-Y428 HydrophobicContact CB-CD1 4.5Å; P423-Y428 HydrophobicContact CB-CE1 4.07Å; P423-Y428 VanDerWaalsContact O-CD1 3.23Å; P423-Y428 WeakPolarHBondContact O-CD1 3.16Å; P423-L429 WeakPolarHBondContact O-CD2 3.37Å
424	H	65.2	Low	62.7	Low	111 Å²	111	89.2 Å²	89.2	51%	0.514	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	8.5	-178.7	-57	-67.4	0	0	0	112.8	D422	D422-H424 PolarHBondContact O-N 2.86Å; D422-H424 PolarHBondContact OD1-N 3.45Å
425	D	68.8	Low	62	Low	10 Å²	10	92.2 Å²	92.2	5%	0.053	47%	0.466	C	S	.	.			trans	-67.1	137.6	171.1	179.6	-84.2	0	0	0	109.9	R246 G418 N419 D422 H427 Y428 L429	R246-D425 IonicContact NH1-OD2 3.95Å; G418-D425 WeakPolarHBondContact CA-OD1 3.44Å; G418-D425 WeakPolarHBondContact CA-OD2 3.43Å; N419-D425 HydrophobicContact CB-CB 4.42Å; N419-D425 PolarHBondContact N-OD1 3.39Å; N419-D425 PolarHBondContact N-OD2 3.33Å; D422-D425 HydrophobicContact CB-CB 3.9Å; D422-D425 WeakPolarHBondContact O-CB 3.47Å; D422-D425 PolarHBondContact O-N 3.04Å; D425-H427 PolarHBondContact O-N 2.84Å; D425-H427 WeakPolarHBondContact OD1-CA 3.43Å; D425-H427 VanDerWaalsContact OD1-CB 3.25Å; D425-H427 WeakPolarHBondContact OD1-CB 3.49Å; D425-H427 PolarHBondContact OD1-N 3.13Å; D425-Y428 CarbonylContact O-C 3.59Å; D425-Y428 WeakPolarHBondContact O-CA 3.4Å; D425-Y428 WeakPolarHBondContact O-CB 3.22Å; D425-Y428 PolarHBondContact O-N 3.34Å; D425-Y428 PolarHBondContact OD1-N 3.06Å; D425-L429 WeakPolarHBondContact O-CG 3.41Å; D425-L429 PolarHBondContact O-N 2.73Å
426	E	66.8	Low	61.6	Low	151 Å²	151	82 Å²	82	71%	0.706	44%	0.437	S	S	*	.	H	α-helix	trans	-52.9	-42.1	-177.8	-175.7	-174.9	178	0	0	111.9	L429 L430	E426-L429 PolarHBondContact O-N 3.47Å; E426-L430 HydrophobicContact CG-CD1 4.1Å; E426-L430 WeakPolarHBondContact O-CB 3.32Å; E426-L430 WeakPolarHBondContact O-CG 3.13Å; E426-L430 PolarHBondContact O-N 3.25Å
427	H	65.7	Low	61.2	Low	116 Å²	116	84.3 Å²	84.3	54%	0.537	45%	0.445	S	S	.	.	H	α-helix	trans	-74.3	-35.2	179.5	-154.5	-84	0	0	0	111.7	D425 S431	D425-H427 PolarHBondContact O-N 2.84Å; D425-H427 WeakPolarHBondContact OD1-CA 3.43Å; D425-H427 VanDerWaalsContact OD1-CB 3.25Å; D425-H427 WeakPolarHBondContact OD1-CB 3.49Å; D425-H427 PolarHBondContact OD1-N 3.13Å; H427-S431 WeakPolarHBondContact O-CB 3.45Å; H427-S431 PolarHBondContact O-N 3.16Å; H427-S431 PolarHBondContact O-OG 3.19Å; H427-S431 VanDerWaalsContact O-OG 3.13Å
428	Y	66.6	Low	60.8	Low	82 Å²	82	82.1 Å²	82.1	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-47.8	172.3	-177.5	-83.9	0	0	0	110.2	D422 P423 D425 S431 T432	D422-Y428 VanDerWaalsContact O-CB 3.3Å; D422-Y428 WeakPolarHBondContact O-CB 3.32Å; P423-Y428 VanDerWaalsContact CA-CD1 3.47Å; P423-Y428 VanDerWaalsContact CA-CE1 3.49Å; P423-Y428 HydrophobicContact CB-CD1 4.5Å; P423-Y428 HydrophobicContact CB-CE1 4.07Å; P423-Y428 VanDerWaalsContact O-CD1 3.23Å; P423-Y428 WeakPolarHBondContact O-CD1 3.16Å; D425-Y428 CarbonylContact O-C 3.59Å; D425-Y428 WeakPolarHBondContact O-CA 3.4Å; D425-Y428 WeakPolarHBondContact O-CB 3.22Å; D425-Y428 PolarHBondContact O-N 3.34Å; D425-Y428 PolarHBondContact OD1-N 3.06Å; Y428-S431 WeakPolarHBondContact CA-OG 3.41Å; Y428-S431 PolarHBondContact O-N 3.29Å; Y428-S431 PolarHBondContact O-OG 3.3Å; Y428-T432 HydrophobicContact CD1-CG2 3.97Å; Y428-T432 HydrophobicContact CE1-CG2 3.57Å; Y428-T432 HydrophobicContact CE2-CG2 4.29Å; Y428-T432 HydrophobicContact CG-CG2 4.48Å; Y428-T432 WeakPolarHBondContact O-CB 3.49Å; Y428-T432 WeakPolarHBondContact O-CG2 3.13Å; Y428-T432 PolarHBondContact O-N 3.39Å; Y428-T432 PolarHBondContact O-OG1 2.87Å
429	L	71.8	Confident	60.4	Low	67 Å²	67	84.3 Å²	84.3	35%	0.351	45%	0.446	S	S	.	.	H	α-helix	trans	-60.9	-46.1	177.3	-68.7	173.6	0	0	0	111.7	P423 D425 E426 S431 T432 Q433	P423-L429 WeakPolarHBondContact O-CD2 3.37Å; D425-L429 WeakPolarHBondContact O-CG 3.41Å; D425-L429 PolarHBondContact O-N 2.73Å; E426-L429 PolarHBondContact O-N 3.47Å; L429-S431 PolarHBondContact O-N 3.38Å; L429-T432 WeakPolarHBondContact CA-OG1 3.31Å; L429-T432 PolarHBondContact O-N 3.44Å; L429-T432 PolarHBondContact O-OG1 3.32Å; L429-Q433 VanDerWaalsContact O-CB 3.25Å; L429-Q433 WeakPolarHBondContact O-CB 3.45Å; L429-Q433 VanDerWaalsContact O-CG 3.25Å; L429-Q433 WeakPolarHBondContact O-CG 3.28Å; L429-Q433 PolarHBondContact O-N 3Å
430	L	69.8	Low	59.5	Low	98 Å²	98	85.2 Å²	85.2	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-63.5	-40	175.7	-70.8	168	0	0	0	112.2	E426 S434	E426-L430 HydrophobicContact CG-CD1 4.1Å; E426-L430 WeakPolarHBondContact O-CB 3.32Å; E426-L430 WeakPolarHBondContact O-CG 3.13Å; E426-L430 PolarHBondContact O-N 3.25Å; L430-S434 WeakPolarHBondContact O-CB 3.48Å; L430-S434 PolarHBondContact O-N 2.98Å; L430-S434 VanDerWaalsContact O-N 3.11Å; L430-S434 PolarHBondContact O-OG 2.93Å
431	S	64.8	Low	58.7	Low	50 Å²	50	87.6 Å²	87.6	35%	0.35	45%	0.453	S	S	.	.	H	α-helix	trans	-71.9	-27.3	178.9	75	0	0	0	0	113.6	H427 Y428 L429 S434 K435	H427-S431 WeakPolarHBondContact O-CB 3.45Å; H427-S431 PolarHBondContact O-N 3.16Å; H427-S431 PolarHBondContact O-OG 3.19Å; H427-S431 VanDerWaalsContact O-OG 3.13Å; Y428-S431 WeakPolarHBondContact CA-OG 3.41Å; Y428-S431 PolarHBondContact O-N 3.29Å; Y428-S431 PolarHBondContact O-OG 3.3Å; L429-S431 PolarHBondContact O-N 3.38Å; S431-S434 PolarHBondContact O-OG 3.48Å; S431-K435 WeakPolarHBondContact O-CG 3.47Å
432	T	63.6	Low	57.7	Low	52 Å²	52	83.2 Å²	83.2	32%	0.319	44%	0.438	S	S	.	.	H	α-helix	trans	-90.1	-33.6	178.2	49.5	0	0	0	0	112.2	Y428 L429 K435 G436	Y428-T432 HydrophobicContact CD1-CG2 3.97Å; Y428-T432 HydrophobicContact CE1-CG2 3.57Å; Y428-T432 HydrophobicContact CE2-CG2 4.29Å; Y428-T432 HydrophobicContact CG-CG2 4.48Å; Y428-T432 WeakPolarHBondContact O-CB 3.49Å; Y428-T432 WeakPolarHBondContact O-CG2 3.13Å; Y428-T432 PolarHBondContact O-N 3.39Å; Y428-T432 PolarHBondContact O-OG1 2.87Å; L429-T432 WeakPolarHBondContact CA-OG1 3.31Å; L429-T432 PolarHBondContact O-N 3.44Å; L429-T432 PolarHBondContact O-OG1 3.32Å; T432-K435 PolarHBondContact O-N 2.91Å; T432-G436 PolarHBondContact O-N 3.31Å
433	Q	63.2	Low	56.5	Low	120 Å²	120	85.4 Å²	85.4	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-64.3	-43.3	170.7	-76.5	180	2.6	0	0	111.7	L429 K435 G436 D437	L429-Q433 VanDerWaalsContact O-CB 3.25Å; L429-Q433 WeakPolarHBondContact O-CB 3.45Å; L429-Q433 VanDerWaalsContact O-CG 3.25Å; L429-Q433 WeakPolarHBondContact O-CG 3.28Å; L429-Q433 PolarHBondContact O-N 3Å; Q433-K435 VanDerWaalsContact C-N 3.27Å; Q433-K435 PolarHBondContact O-N 3.42Å; Q433-G436 WeakPolarHBondContact O-CA 3.49Å; Q433-G436 PolarHBondContact O-N 3.12Å; Q433-G436 VanDerWaalsContact O-N 3.08Å; Q433-D437 PolarHBondContact O-N 2.83Å
434	S	55	Low	55.6	Low	59 Å²	59	85.3 Å²	85.3	41%	0.413	46%	0.462	S	S	.	.	H	α-helix	trans	-63.7	-29.6	176.4	57.9	0	0	0	0	113.6	L430 S431 Q438	L430-S434 WeakPolarHBondContact O-CB 3.48Å; L430-S434 PolarHBondContact O-N 2.98Å; L430-S434 VanDerWaalsContact O-N 3.11Å; L430-S434 PolarHBondContact O-OG 2.93Å; S431-S434 PolarHBondContact O-OG 3.48Å; S434-Q438 PolarHBondContact O-N 3.47Å
435	K	53.7	Low	54.4	Low	155 Å²	155	86.9 Å²	86.9	67%	0.674	47%	0.47	S	S	*	.	H	α-helix	trans	-76	-36.4	170.8	-74.5	-179.7	177.9	178.6	0	112.5	S431 T432 Q433 D437 Q438 S439	S431-K435 WeakPolarHBondContact O-CG 3.47Å; T432-K435 PolarHBondContact O-N 2.91Å; Q433-K435 VanDerWaalsContact C-N 3.27Å; Q433-K435 PolarHBondContact O-N 3.42Å; K435-D437 VanDerWaalsContact C-N 3.32Å; K435-Q438 PolarHBondContact O-N 2.93Å; K435-S439 PolarHBondContact O-N 2.82Å
436	G	50.6	Low	53.1	Low	29 Å²	29	96 Å²	96	30%	0.299	50%	0.504	S	S	.	.	H	α-helix	trans	-58.7	-42.7	171.4	0	0	0	0	0	112	T432 Q433 S439 S440	T432-G436 PolarHBondContact O-N 3.31Å; Q433-G436 WeakPolarHBondContact O-CA 3.49Å; Q433-G436 PolarHBondContact O-N 3.12Å; Q433-G436 VanDerWaalsContact O-N 3.08Å; G436-S439 PolarHBondContact O-N 3.38Å; G436-S439 PolarHBondContact O-OG 3.02Å; G436-S440 WeakPolarHBondContact O-CB 3.38Å; G436-S440 PolarHBondContact O-N 3.33Å; G436-S440 PolarHBondContact O-OG 3.27Å
437	D	46.3	Very low	51.7	Low	101 Å²	101	98 Å²	98	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-71.6	-29.5	179	-76.4	-20	0	0	0	114	Q433 K435 S440 K441	Q433-D437 PolarHBondContact O-N 2.83Å; K435-D437 VanDerWaalsContact C-N 3.32Å; D437-S440 VanDerWaalsContact CA-OG 3.3Å; D437-S440 WeakPolarHBondContact CA-OG 3.21Å; D437-S440 PolarHBondContact O-OG 3.23Å; D437-K441 VanDerWaalsContact O-CB 3.29Å; D437-K441 WeakPolarHBondContact O-CB 3.34Å; D437-K441 WeakPolarHBondContact O-CG 3.38Å; D437-K441 PolarHBondContact O-N 2.92Å
438	Q	43.6	Very low	50.5	Low	142 Å²	142	96.4 Å²	96.4	66%	0.664	52%	0.517	S	S	*	.	H	α-helix	trans	-74.3	-32.8	169.5	-72.5	-178.3	17.7	0	0	112	S434 K435 S442	S434-Q438 PolarHBondContact O-N 3.47Å; K435-Q438 PolarHBondContact O-N 2.93Å; Q438-S442 VanDerWaalsContact O-CB 3.3Å; Q438-S442 WeakPolarHBondContact O-CB 3.34Å; Q438-S442 PolarHBondContact O-N 3.02Å; Q438-S442 PolarHBondContact O-OG 2.84Å
439	S	44.4	Very low	49.5	Very low	71 Å²	71	98.5 Å²	98.5	50%	0.497	54%	0.538	S	S	.	.	H	α-helix	trans	-72.5	-34.5	174.6	81.5	0	0	0	0	112.6	K435 G436 S442 A443	K435-S439 PolarHBondContact O-N 2.82Å; G436-S439 PolarHBondContact O-N 3.38Å; G436-S439 PolarHBondContact O-OG 3.02Å; S439-S442 WeakPolarHBondContact CA-OG 3.47Å; S439-S442 PolarHBondContact O-OG 2.91Å; S439-A443 VanDerWaalsContact O-CB 3.24Å; S439-A443 WeakPolarHBondContact O-CB 3.43Å; S439-A443 PolarHBondContact O-N 3.45Å
440	S	42.5	Very low	47.5	Very low	60 Å²	60	100.4 Å²	100.4	42%	0.42	56%	0.557	S	S	.	*	H	α-helix	trans	-78.5	-33.9	177.1	63.8	0	0	0	0	112	G436 D437 A444	G436-S440 WeakPolarHBondContact O-CB 3.38Å; G436-S440 PolarHBondContact O-N 3.33Å; G436-S440 PolarHBondContact O-OG 3.27Å; D437-S440 VanDerWaalsContact CA-OG 3.3Å; D437-S440 WeakPolarHBondContact CA-OG 3.21Å; D437-S440 PolarHBondContact O-OG 3.23Å; S440-A444 WeakPolarHBondContact O-CB 3.38Å; S440-A444 PolarHBondContact O-N 3.35Å
441	K	42.4	Very low	45.7	Very low	150 Å²	150	107.5 Å²	107.5	65%	0.652	58%	0.577	S	S	*	*	H	α-helix	trans	-67.2	-42.8	168.8	-79.2	-178.6	176.1	-179.6	0	112.8	D437 A443 A444 E445	D437-K441 VanDerWaalsContact O-CB 3.29Å; D437-K441 WeakPolarHBondContact O-CB 3.34Å; D437-K441 WeakPolarHBondContact O-CG 3.38Å; D437-K441 PolarHBondContact O-N 2.92Å; K441-A443 VanDerWaalsContact C-N 3.32Å; K441-A443 PolarHBondContact O-N 3.07Å; K441-A444 PolarHBondContact O-N 2.82Å; K441-E445 WeakPolarHBondContact O-CG 3.36Å; K441-E445 PolarHBondContact O-N 3.28Å
442	S	39.8	Very low	44.2	Very low	44 Å²	44	111.4 Å²	111.4	31%	0.308	60%	0.601	S	S	.	*	H	α-helix	trans	-72.8	-21.2	176.7	57.7	0	0	0	0	113.9	Q438 S439 R446	Q438-S442 VanDerWaalsContact O-CB 3.3Å; Q438-S442 WeakPolarHBondContact O-CB 3.34Å; Q438-S442 PolarHBondContact O-N 3.02Å; Q438-S442 PolarHBondContact O-OG 2.84Å; S439-S442 WeakPolarHBondContact CA-OG 3.47Å; S439-S442 PolarHBondContact O-OG 2.91Å; S442-R446 VanDerWaalsContact O-CG 3.31Å; S442-R446 WeakPolarHBondContact O-CG 3.32Å; S442-R446 PolarHBondContact O-N 3.16Å
443	A	42.3	Very low	42.5	Very low	57 Å²	57	112.6 Å²	112.6	47%	0.471	62%	0.624	S	S	.	*	H	α-helix	trans	-80.9	-32.3	169.7	0	0	0	0	0	112.9	S439 K441	S439-A443 VanDerWaalsContact O-CB 3.24Å; S439-A443 WeakPolarHBondContact O-CB 3.43Å; S439-A443 PolarHBondContact O-N 3.45Å; K441-A443 VanDerWaalsContact C-N 3.32Å; K441-A443 PolarHBondContact O-N 3.07Å
444	A	41	Very low	41	Very low	66 Å²	66	110.9 Å²	110.9	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-70.4	-36.3	172.4	0	0	0	0	0	112	S440 K441 K447	S440-A444 WeakPolarHBondContact O-CB 3.38Å; S440-A444 PolarHBondContact O-N 3.35Å; K441-A444 PolarHBondContact O-N 2.82Å; A444-K447 PolarHBondContact O-N 2.99Å
445	E	39	Very low	39.5	Very low	144 Å²	144	111.6 Å²	111.6	67%	0.673	65%	0.654	S	S	*	*	H	α-helix	trans	-72.1	-29.2	175.3	-75.9	175.6	166	0	0	113.2	K441 K447 A448	K441-E445 WeakPolarHBondContact O-CG 3.36Å; K441-E445 PolarHBondContact O-N 3.28Å; E445-K447 VanDerWaalsContact C-N 3.3Å; E445-K447 PolarHBondContact O-N 3.28Å; E445-A448 PolarHBondContact O-N 3.24Å
446	R	41.5	Very low	38.4	Very low	202 Å²	202	112.3 Å²	112.3	76%	0.762	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-11.2	174.8	-74.9	-178.3	-150.9	-172.8	6.1	114.7	S442	S442-R446 VanDerWaalsContact O-CG 3.31Å; S442-R446 WeakPolarHBondContact O-CG 3.32Å; S442-R446 PolarHBondContact O-N 3.16Å
447	K	39.1	Very low	37.3	Very low	193 Å²	193	118.8 Å²	118.8	84%	0.839	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-5.7	171.6	-91.6	-175.2	175.8	-180	0	113.9	A444 E445	A444-K447 PolarHBondContact O-N 2.99Å; E445-K447 VanDerWaalsContact C-N 3.3Å; E445-K447 PolarHBondContact O-N 3.28Å
448	A	40.1	Very low	36.4	Very low	83 Å²	83	117.3 Å²	117.3	69%	0.686	70%	0.701	S	S	*	*	S	Bend	trans	-98.5	-1.8	178.7	0	0	0	0	0	114.5	E445	E445-A448 PolarHBondContact O-N 3.24Å
449	V	44.7	Very low	35.5	Very low	126 Å²	126	119 Å²	119	76%	0.764	71%	0.709	S	S	*	*			trans	-132.7	87.3	178.4	-173.8	0	0	0	0	110.4
450	S	31.3	Very low	34.6	Very low	106 Å²	106	123.5 Å²	123.5	74%	0.741	73%	0.727	S	S	*	*			trans	-156.6	90.1	153.2	52.2	0	0	0	0	111.3
451	R	30	Very low	33.8	Very low	247 Å²	247	124.5 Å²	124.5	93%	0.932	75%	0.746	S	S	*	*			trans	-157.4	119.8	141.8	-110.7	-179.2	-179.9	-166.2	-0.9	109.4
452	P	34.9	Very low	33	Very low	133 Å²	133	122.7 Å²	122.7	86%	0.864	75%	0.751	S	S	*	*			trans	-99.8	153.9	178.7	37	-29.6	0	0	0	111.8
453	G	28	Very low	32.3	Very low	77 Å²	77	129.7 Å²	129.7	79%	0.794	78%	0.779	S	S	*	*			trans	161	101.3	167.6	0	0	0	0	0	107.6
454	G	30.4	Very low	31.5	Very low	84 Å²	84	130.5 Å²	130.5	87%	0.866	79%	0.793	S	S	*	*			cis	84	80	49.5	0	0	0	0	0	107.2
455	G	24.7	Very low	30.8	Very low	73 Å²	73	138.1 Å²	138.1	75%	0.753	81%	0.808	S	S	*	*			trans	-77.4	148.9	179.6	0	0	0	0	0	112.2
456	L	29.3	Very low	30.2	Very low	171 Å²	171	139.4 Å²	139.4	90%	0.895	82%	0.816	S	S	*	*			trans	-152.8	151.3	146.5	-78.6	-175.2	0	0	0	109.1
457	D	27.8	Very low	29.4	Very low	165 Å²	165	133.8 Å²	133.8	88%	0.882	82%	0.821	S	S	*	*			trans	-55	159.9	-166.8	-62.2	-61.6	0	0	0	118.3
458	G	27	Very low	28.9	Very low	70 Å²	70	131.9 Å²	131.9	72%	0.722	82%	0.82	S	S	*	*			trans	161.5	93.3	156.3	0	0	0	0	0	116.9
459	E	25.7	Very low	28.3	Very low	177 Å²	177	135 Å²	135	83%	0.827	82%	0.822	S	S	*	*			trans	66.4	115.7	146.1	-65.5	-169.9	120.6	0	0	123.4
460	L	25.9	Very low	27.5	Very low	166 Å²	166	133.6 Å²	133.6	87%	0.869	82%	0.818	S	S	*	*				45.5	126	123	-64.9	162.8	0	0	0	120.8
461	G	25.8	Very low	27.4	Very low	80 Å²	80	136.2 Å²	136.2	83%	0.825	82%	0.823	S	S	*	*			trans	164.4	91.6	155	0	0	0	0	0	117.7
462	C	24.6	Very low	27.3	Very low	112 Å²	112	132.2 Å²	132.2	76%	0.757	82%	0.817	S	S	*	*			trans	-21.4	148.6	165.4	-73.1	0	0	0	0	122.7
463	Q	25.1	Very low	27.9	Very low	192 Å²	192	130 Å²	130	90%	0.897	80%	0.802	S	S	*	*			trans	75.8	131.1	131.2	-77.3	173.5	1.1	0	0	121.7
464	G	25.4	Very low	28.1	Very low	74 Å²	74	138 Å²	138	76%	0.763	81%	0.809	S	S	*	*				132.9	93.2	120.9	0	0	0	0	0	119.2
465	R	27.1	Very low	27.9	Very low	226 Å²	226	137.6 Å²	137.6	85%	0.853	81%	0.805	S	S	*	*			trans	54.2	130.1	131.7	-85.8	-174.2	170.4	-160.1	-1.7	123.6
466	M	26	Very low	28.1	Very low	170 Å²	170	140.8 Å²	140.8	84%	0.837	81%	0.814	S	S	*	*				64.2	137.1	127.8	-69.3	169.2	107.8	0	0	121.2
467	G	25.3	Very low	27.9	Very low	84 Å²	84	135.7 Å²	135.7	87%	0.866	80%	0.803	S	S	*	*			trans	162.2	129.6	154.8	0	0	0	0	0	114.2
468	D	27.6	Very low	28.1	Very low	153 Å²	153	134.2 Å²	134.2	82%	0.818	81%	0.806	S	S	*	*			trans	-101.9	175.4	-161.4	-159.6	0.2	0	0	0	114
469	M	28.2	Very low	28.1	Very low	150 Å²	150	134.3 Å²	134.3	74%	0.739	81%	0.806	S	S	*	*			trans	97.6	128.9	138.7	-104.4	167.2	83.8	0	0	125.2
470	S	28.6	Very low	28.1	Very low	96 Å²	96	131.6 Å²	131.6	67%	0.671	81%	0.807	S	S	*	*			trans	69.6	142.1	146.7	49.4	0	0	0	0	119.4
471	D	27.3	Very low	28.3	Very low	160 Å²	160	128.3 Å²	128.3	86%	0.856	80%	0.804	S	S	*	*			cis	-164.4	168	41.1	-139.5	-17.3	0	0	0	113.7
472	M	28.4	Very low	28.3	Very low	163 Å²	163	129.4 Å²	129.4	80%	0.803	81%	0.805	S	S	*	*			trans	-97.6	-165.8	-171.5	-104.3	-76.1	-107.9	0	0	112.5
473	P	47	Very low	28.4	Very low	86 Å²	86	127.9 Å²	127.9	56%	0.558	81%	0.808	S	S	*	*			cis	-145.3	-171.8	-26.2	36.2	-14.8	0	0	0	116.9
474	R	32.2	Very low	28.4	Very low	245 Å²	245	123 Å²	123	93%	0.925	81%	0.809	S	S	*	*			trans	104.6	130.5	133.3	-90.6	172.4	-166.6	-153.5	2.4	121.7
475	G	26.4	Very low	28.5	Very low	76 Å²	76	123.5 Å²	123.5	78%	0.784	81%	0.814	S	S	*	*			trans	162	98.9	150.2	0	0	0	0	0	116
476	C	28.6	Very low	28.4	Very low	141 Å²	141	121 Å²	121	95%	0.953	82%	0.815	S	S	*	*			trans	-59.5	169.1	172.6	-56.7	0	0	0	0	113.6
477	G	26.4	Very low	28.4	Very low	64 Å²	64	121 Å²	121	66%	0.66	82%	0.817	S	S	*	*			cis	158.4	-175.5	10.7	0	0	0	0	0	110
478	S	30.6	Very low	28.4	Very low	134 Å²	134	120.6 Å²	120.6	94%	0.937	81%	0.813	S	S	*	*			trans	84.5	132.8	176	78.2	0	0	0	0	116.8
479	G	27	Very low	28.2	Very low	71 Å²	71	122.3 Å²	122.3	73%	0.732	82%	0.816	S	S	*	*			cis	155.6	141.2	-2	0	0	0	0	0	111.8
480	S	27.6	Very low	28	Very low	121 Å²	121	122.9 Å²	122.9	85%	0.846	82%	0.819	S	S	*	*			trans	75.9	117	164.8	-79	0	0	0	0	119.5
481	A	28.2	Very low	27.8	Very low	97 Å²	97	125.7 Å²	125.7	80%	0.802	82%	0.821	S	S	*	*				81.4	139.3	61	0	0	0	0	0	111.6
482	A	27.6	Very low	27.7	Very low	103 Å²	103	126 Å²	126	85%	0.851	82%	0.822	S	S	*	*			cis	-172.7	166.4	-3.6	0	0	0	0	0	107.5
483	G	26.2	Very low	27.4	Very low	79 Å²	79	121.8 Å²	121.8	81%	0.814	82%	0.82	S	S	*	*			trans	113.8	90.9	139.5	0	0	0	0	0	119.6
484	G	25.4	Very low	27.2	Very low	89 Å²	89	123.3 Å²	123.3	92%	0.918	83%	0.83	S	S	*	*				57	140.9	116.9	0	0	0	0	0	123.1
485	G	26.3	Very low	26.8	Very low	85 Å²	85	117.8 Å²	117.8	88%	0.876	82%	0.824	S	S	*	*			trans	140	142	154.1	0	0	0	0	0	114.9
486	M	25.1	Very low	26.7	Very low	175 Å²	175	123.7 Å²	123.7	86%	0.862	83%	0.831	S	S	*	*			trans	-124	156.5	-157.3	-161.9	130.4	96.4	0	0	112.5
487	L	26.5	Very low	26.5	Very low	168 Å²	168	120.4 Å²	120.4	88%	0.88	82%	0.821	S	S	*	*			trans	81.9	133.5	160.4	-53	172.8	0	0	0	120.5
488	G	24.9	Very low	26.3	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	83%	0.834	S	S	*	*			trans	134.5	97.6	142.5	0	0	0	0	0	118.3
489	E	23.1	Very low	26	Very low	189 Å²	189	125 Å²	125	88%	0.883	82%	0.82	S	S	*	*			trans	17.8	144.3	147.9	-66.3	-173.6	140.4	0	0	125.4
490	M	24	Very low	25.9	Very low	163 Å²	163	130.1 Å²	130.1	80%	0.803	83%	0.83	S	S	*	*			trans	92.9	136.7	137.8	-140.5	112.3	167.9	0	0	122.2
491	E	25.4	Very low	25.8	Very low	154 Å²	154	132.8 Å²	132.8	72%	0.72	83%	0.831	S	S	*	*			trans	-33	142	179.8	-63.1	176.2	122.6	0	0	121.2
492	L	24.4	Very low	25.6	Very low	167 Å²	167	131.3 Å²	131.3	87%	0.874	83%	0.825	S	S	*	*				156.6	139.1	117.6	-79.8	169.1	0	0	0	109.5
493	G	23.1	Very low	25.7	Very low	74 Å²	74	133 Å²	133	76%	0.763	83%	0.828	S	S	*	*			trans	-71.8	-158.8	-173.1	0	0	0	0	0	115.3
494	P	42.6	Very low	25.9	Very low	118 Å²	118	133 Å²	133	77%	0.766	83%	0.828	S	S	*	*			cis	-130.7	-168	-9.3	33.1	-10.4	0	0	0	113.1
495	T	22.7	Very low	25.9	Very low	129 Å²	129	138 Å²	138	79%	0.791	83%	0.827	S	S	*	*			trans	104.5	121.1	158.7	72.4	0	0	0	0	120.1
496	Q	24	Very low	26	Very low	201 Å²	201	138.7 Å²	138.7	94%	0.939	82%	0.824	S	S	*	*			trans	32.3	129.7	146.2	-64.1	-177.1	5.9	0	0	121.2
497	G	24.5	Very low	26.1	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	83%	0.826	S	S	*	*			trans	143.3	96.6	150.2	0	0	0	0	0	113.8
498	E	23.5	Very low	26.2	Very low	198 Å²	198	137.8 Å²	137.8	93%	0.925	81%	0.813	S	S	*	*			trans	8.7	141.1	136.8	-72.6	-179.5	172.9	0	0	117.3
499	C	24.3	Very low	26.4	Very low	96 Å²	96	138.1 Å²	138.1	65%	0.649	80%	0.802	S	S	*	*			cis	-179.2	131.9	12.8	178.1	0	0	0	0	104.5
500	L	23.7	Very low	26.8	Very low	179 Å²	179	136.1 Å²	136.1	94%	0.937	80%	0.797	S	S	*	*			trans	-144.4	111.3	159.6	-89.7	174.6	0	0	0	109.4
501	M	26.9	Very low	27.3	Very low	176 Å²	176	131.8 Å²	131.8	87%	0.867	78%	0.782	S	S	*	*			trans	-57.2	128.9	175.3	-72.5	-80.1	-173.4	0	0	111.9
502	G	24.2	Very low	27.6	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	76%	0.761	S	S	*	*			trans	-115.7	134.7	157.9	0	0	0	0	0	108.9
503	P	28.5	Very low	27.9	Very low	140 Å²	140	124.9 Å²	124.9	91%	0.909	75%	0.748	S	S	*	*			trans	-87.4	143.2	-170.1	34.1	-31.9	0	0	0	111.9
504	G	31.6	Very low	28.4	Very low	79 Å²	79	126.8 Å²	126.8	81%	0.814	74%	0.741	S	S	*	*			trans	118.5	62.4	158.8	0	0	0	0	0	115.7
505	E	24.3	Very low	28	Very low	193 Å²	193	125 Å²	125	90%	0.902	73%	0.731	S	S	*	*			trans	-104	124.9	150.8	-73.7	-164.8	157.6	0	0	108.5	E507	E505-E507 PolarHBondContact O-N 3.17Å
506	A	28.9	Very low	28.6	Very low	99 Å²	99	125.3 Å²	125.3	82%	0.818	72%	0.717	S	S	*	*			trans	-58.7	126.4	171.9	0	0	0	0	0	109.3	E508	A506-E508 PolarHBondContact O-N 3.21Å
507	E	27.6	Very low	29.2	Very low	194 Å²	194	122.7 Å²	122.7	91%	0.907	70%	0.703	S	S	*	*			trans	-58.4	108.1	171.4	-72.5	-168.7	148.7	0	0	109.7	E505	E505-E507 PolarHBondContact O-N 3.17Å
508	E	28	Very low	30.1	Very low	130 Å²	130	123.4 Å²	123.4	61%	0.607	69%	0.693	S	S	*	*			trans	-65.6	134.3	160.5	-92.1	-156.1	148	0	0	108.7	A506 L510 R516	A506-E508 PolarHBondContact O-N 3.21Å; E508-L510 PolarHBondContact O-N 3.15Å; E508-R516 IonicContact OE2-NH2 2.69Å; E508-R516 PolarHBondContact OE2-NH2 3.31Å; E508-R516 VanDerWaalsContact OE2-NH2 3.11Å
509	P	28.8	Very low	31	Very low	84 Å²	84	116.4 Å²	116.4	55%	0.545	67%	0.669	S	S	.	*			trans	-67.2	133.9	-174.1	24.4	-32	0	0	0	112	S511 T512	P509-S511 PolarHBondContact O-N 2.9Å; P509-T512 PolarHBondContact O-N 2.6Å; P509-T512 PolarHBondContact O-OG1 3.25Å
510	L	32.6	Very low	32.2	Very low	147 Å²	147	117.3 Å²	117.3	77%	0.77	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-39.8	-22.9	176.4	-79.3	151.5	0	0	0	116.2	E508 T512 L514	E508-L510 PolarHBondContact O-N 3.15Å; L510-T512 PolarHBondContact O-N 3.22Å; L510-L514 PolarHBondContact O-N 3.48Å
511	S	33.4	Very low	33.7	Very low	72 Å²	72	111.5 Å²	111.5	50%	0.503	64%	0.635	S	S	.	*	H	α-helix	trans	-62.3	-31.5	174.9	69.8	0	0	0	0	115.1	P509 S515	P509-S511 PolarHBondContact O-N 2.9Å; S511-S515 WeakPolarHBondContact O-CB 3.32Å; S511-S515 PolarHBondContact O-N 3.23Å; S511-S515 VanDerWaalsContact O-N 3.13Å; S511-S515 PolarHBondContact O-OG 2.93Å
512	T	31.9	Very low	35	Very low	44 Å²	44	106.4 Å²	106.4	27%	0.27	62%	0.617	S	S	.	*	H	α-helix	trans	-78.3	-34	-178.9	52.2	0	0	0	0	111.9	P509 L510 S515 R516	P509-T512 PolarHBondContact O-N 2.6Å; P509-T512 PolarHBondContact O-OG1 3.25Å; L510-T512 PolarHBondContact O-N 3.22Å; T512-S515 PolarHBondContact O-N 2.97Å; T512-R516 PolarHBondContact O-N 3.43Å
513	H	31.6	Very low	36.7	Very low	131 Å²	131	109.7 Å²	109.7	61%	0.606	62%	0.615	S	S	*	*	H	α-helix	trans	-68.6	-40.2	175.3	-123.1	-77.9	0	0	0	112.3	K517	H513-K517 WeakPolarHBondContact O-CB 3.11Å; H513-K517 PolarHBondContact O-N 3.32Å; H513-K517 VanDerWaalsContact O-N 3.13Å
514	L	33.5	Very low	38.6	Very low	115 Å²	115	106 Å²	106	60%	0.602	59%	0.585	S	S	*	*	H	α-helix	trans	-64.6	-39.9	171.2	-93.5	128.8	0	0	0	111.9	L510 T518	L510-L514 PolarHBondContact O-N 3.48Å; L514-T518 VanDerWaalsContact O-CB 3.23Å; L514-T518 WeakPolarHBondContact O-CB 3.48Å; L514-T518 PolarHBondContact O-N 3.12Å; L514-T518 PolarHBondContact O-OG1 3.42Å
515	S	34.6	Very low	40.5	Very low	80 Å²	80	103.6 Å²	103.6	56%	0.559	55%	0.552	S	S	*	*	H	α-helix	trans	-66.3	-41.9	178.4	-65.5	0	0	0	0	112.8	S511 T512 T518 A519	S511-S515 WeakPolarHBondContact O-CB 3.32Å; S511-S515 PolarHBondContact O-N 3.23Å; S511-S515 VanDerWaalsContact O-N 3.13Å; S511-S515 PolarHBondContact O-OG 2.93Å; T512-S515 PolarHBondContact O-N 2.97Å; S515-T518 PolarHBondContact O-N 3.03Å; S515-A519 WeakPolarHBondContact O-CB 3.41Å; S515-A519 PolarHBondContact O-N 3.36Å
516	R	33.9	Very low	42.6	Very low	136 Å²	136	98 Å²	98	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-67.5	-42.7	176.2	-70.4	-176.4	-142.3	149	10	112.4	E508 T512 T518 A519 I520	E508-R516 IonicContact OE2-NH2 2.69Å; E508-R516 PolarHBondContact OE2-NH2 3.31Å; E508-R516 VanDerWaalsContact OE2-NH2 3.11Å; T512-R516 PolarHBondContact O-N 3.43Å; R516-T518 VanDerWaalsContact C-N 3.34Å; R516-T518 PolarHBondContact O-N 3.17Å; R516-A519 PolarHBondContact O-N 3.1Å; R516-I520 WeakPolarHBondContact O-CG1 3.19Å; R516-I520 PolarHBondContact O-N 3.36Å; R516-I520 VanDerWaalsContact O-N 3.1Å
517	K	36.5	Very low	45.1	Very low	146 Å²	146	100.9 Å²	100.9	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-64	-39.1	176.5	-165.4	173	-178.7	176.5	0	111.6	H513 I521	H513-K517 WeakPolarHBondContact O-CB 3.11Å; H513-K517 PolarHBondContact O-N 3.32Å; H513-K517 VanDerWaalsContact O-N 3.13Å; K517-I521 HydrophobicContact CG-CD1 4.02Å; K517-I521 WeakPolarHBondContact O-CB 3.39Å; K517-I521 WeakPolarHBondContact O-CD1 3.25Å; K517-I521 WeakPolarHBondContact O-CG1 3.37Å; K517-I521 PolarHBondContact O-N 3.04Å; K517-I521 VanDerWaalsContact O-N 3.07Å
518	T	43.3	Very low	48	Very low	86 Å²	86	92.8 Å²	92.8	53%	0.528	49%	0.494	S	S	.	.	H	α-helix	trans	-67.7	-37.4	175.8	-55.4	0	0	0	0	112.4	L514 S515 R516 S522	L514-T518 VanDerWaalsContact O-CB 3.23Å; L514-T518 WeakPolarHBondContact O-CB 3.48Å; L514-T518 PolarHBondContact O-N 3.12Å; L514-T518 PolarHBondContact O-OG1 3.42Å; S515-T518 PolarHBondContact O-N 3.03Å; R516-T518 VanDerWaalsContact C-N 3.34Å; R516-T518 PolarHBondContact O-N 3.17Å; T518-S522 VanDerWaalsContact O-CB 3.25Å; T518-S522 WeakPolarHBondContact O-CB 3.43Å; T518-S522 PolarHBondContact O-N 2.98Å
519	A	42.1	Very low	51.1	Low	52 Å²	52	88 Å²	88	43%	0.43	47%	0.473	S	S	.	.	H	α-helix	trans	-67.6	-41.5	176	0	0	0	0	0	113	S515 R516 S522 Q523	S515-A519 WeakPolarHBondContact O-CB 3.41Å; S515-A519 PolarHBondContact O-N 3.36Å; R516-A519 PolarHBondContact O-N 3.1Å; A519-S522 PolarHBondContact O-N 2.95Å; A519-Q523 WeakPolarHBondContact O-CG 3.29Å; A519-Q523 PolarHBondContact O-N 3.08Å
520	I	50.2	Low	54.4	Low	115 Å²	115	84.1 Å²	84.1	59%	0.59	45%	0.449	S	S	*	.	H	α-helix	trans	-66.7	-41.8	176.9	-66.2	167	0	0	0	110.9	R516 Q523 F524	R516-I520 WeakPolarHBondContact O-CG1 3.19Å; R516-I520 PolarHBondContact O-N 3.36Å; R516-I520 VanDerWaalsContact O-N 3.1Å; I520-Q523 PolarHBondContact O-N 3.24Å; I520-F524 PolarHBondContact O-N 3.47Å
521	I	55.5	Low	57.5	Low	56 Å²	56	77.2 Å²	77.2	29%	0.287	41%	0.412	S	S	.	.	H	α-helix	trans	-64.7	-42.4	174.9	-69.6	168	0	0	0	110.6	K517 Q523 F524 E525	K517-I521 HydrophobicContact CG-CD1 4.02Å; K517-I521 WeakPolarHBondContact O-CB 3.39Å; K517-I521 WeakPolarHBondContact O-CD1 3.25Å; K517-I521 WeakPolarHBondContact O-CG1 3.37Å; K517-I521 PolarHBondContact O-N 3.04Å; K517-I521 VanDerWaalsContact O-N 3.07Å; I521-Q523 VanDerWaalsContact C-N 3.35Å; I521-Q523 PolarHBondContact O-N 2.92Å; I521-F524 WeakPolarHBondContact O-CB 3.32Å; I521-F524 PolarHBondContact O-N 3.31Å; I521-F524 VanDerWaalsContact O-N 3.13Å; I521-E525 HydrophobicContact CG2-CG 4.45Å; I521-E525 WeakPolarHBondContact O-CG 3.39Å; I521-E525 PolarHBondContact O-N 3.1Å
522	S	54.5	Low	60.6	Low	69 Å²	69	73.8 Å²	73.8	48%	0.483	39%	0.388	S	S	.	.	H	α-helix	trans	-61.8	-39.4	175.8	173.9	0	0	0	0	112.7	T518 A519 F524 E525 S526	T518-S522 VanDerWaalsContact O-CB 3.25Å; T518-S522 WeakPolarHBondContact O-CB 3.43Å; T518-S522 PolarHBondContact O-N 2.98Å; A519-S522 PolarHBondContact O-N 2.95Å; S522-F524 VanDerWaalsContact C-N 3.34Å; S522-F524 PolarHBondContact O-N 3.23Å; S522-E525 PolarHBondContact O-N 3.23Å; S522-S526 PolarHBondContact O-N 2.88Å; S522-S526 VanDerWaalsContact O-N 3.16Å
523	Q	59.5	Low	63.7	Low	135 Å²	135	76.7 Å²	76.7	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-63.3	-40.2	172.7	-74	178	3.4	0	0	111.8	A519 I520 I521 S526 K527	A519-Q523 WeakPolarHBondContact O-CG 3.29Å; A519-Q523 PolarHBondContact O-N 3.08Å; I520-Q523 PolarHBondContact O-N 3.24Å; I521-Q523 VanDerWaalsContact C-N 3.35Å; I521-Q523 PolarHBondContact O-N 2.92Å; Q523-S526 PolarHBondContact O-N 3.38Å; Q523-S526 PolarHBondContact O-OG 3.39Å; Q523-K527 PolarHBondContact O-N 2.96Å
524	F	68.7	Low	66.8	Low	64 Å²	64	70.4 Å²	70.4	28%	0.281	37%	0.368	S	S	.	.	H	α-helix	trans	-64	-38.9	175.3	-171.6	-97.2	0	0	0	112.7	L309 T410 L412 I520 I521 S522 K527 L529 H537	L309-F524 HydrophobicContact CD2-CE1 4.45Å; T410-F524 HydrophobicContact CG2-CD1 4.34Å; T410-F524 HydrophobicContact CG2-CE1 3.92Å; L412-F524 HydrophobicContact CD1-CD1 4.02Å; L412-F524 HydrophobicContact CD1-CE1 4.02Å; L412-F524 HydrophobicContact CG-CE1 4.4Å; I520-F524 PolarHBondContact O-N 3.47Å; I521-F524 WeakPolarHBondContact O-CB 3.32Å; I521-F524 PolarHBondContact O-N 3.31Å; I521-F524 VanDerWaalsContact O-N 3.13Å; S522-F524 VanDerWaalsContact C-N 3.34Å; S522-F524 PolarHBondContact O-N 3.23Å; F524-K527 PolarHBondContact O-N 3.49Å; F524-L529 HydrophobicContact CZ-CD2 3.98Å; F524-H537 AromaticContact CZ-NE2 3.82Å
525	E	70.6	Confident	69.9	Low	28 Å²	28	65 Å²	65	13%	0.131	34%	0.34	C	S	.	.	H	α-helix	trans	-69.2	-31.5	178.7	-70.2	-169.6	155.9	0	0	113.6	K408 M409 T410 H414 I521 S522	K408-E525 WeakPolarHBondContact CE-OE2 3.24Å; K408-E525 HydrophobicContact CG-CB 4.41Å; K408-E525 IonicContact NZ-OE1 2.74Å; K408-E525 PolarHBondContact NZ-OE1 3.16Å; K408-E525 IonicContact NZ-OE2 2.75Å; K408-E525 PolarHBondContact NZ-OE2 2.93Å; M409-E525 PolarHBondContact N-O 3.04Å; T410-E525 PolarHBondContact N-O 2.93Å; T410-E525 WeakPolarHBondContact O-CA 3.3Å; T410-E525 WeakPolarHBondContact O-CB 3.34Å; T410-E525 WeakPolarHBondContact O-CG 3.45Å; H414-E525 IonicContact CD2-OE1 3.33Å; H414-E525 IonicContact CE1-OE1 2.68Å; H414-E525 IonicContact NE2-OE1 3.92Å; H414-E525 PolarHBondContact NE2-OE1 2.85Å; I521-E525 HydrophobicContact CG2-CG 4.45Å; I521-E525 WeakPolarHBondContact O-CG 3.39Å; I521-E525 PolarHBondContact O-N 3.1Å; S522-E525 PolarHBondContact O-N 3.23Å
526	S	68.9	Low	72.9	Confident	75 Å²	75	62.3 Å²	62.3	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-76.9	-25.3	179.2	72.2	0	0	0	0	113.7	S522 Q523	S522-S526 PolarHBondContact O-N 2.88Å; S522-S526 VanDerWaalsContact O-N 3.16Å; Q523-S526 PolarHBondContact O-N 3.38Å; Q523-S526 PolarHBondContact O-OG 3.39Å
527	K	81.2	Confident	75.8	Confident	160 Å²	160	58.8 Å²	58.8	70%	0.696	31%	0.308	S	S	*	.	S	Bend	trans	-91	126.1	-178.6	-169	172.3	-176.5	173	0	110.3	T410 Q523 F524 L529	T410-K527 PolarHBondContact OG1-O 3.3Å; Q523-K527 PolarHBondContact O-N 2.96Å; F524-K527 PolarHBondContact O-N 3.49Å; K527-L529 PolarHBondContact O-N 3.11Å
528	A	88.1	Confident	78.7	Confident	23 Å²	23	51.9 Å²	51.9	19%	0.19	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-68.1	119.6	174	0	0	0	0	0	110.5	P399 M409	P399-A528 HydrophobicContact CB-CB 3.64Å; P399-A528 HydrophobicContact CG-CB 3.51Å; P399-A528 WeakPolarHBondContact CG-O 3.34Å; M409-A528 HydrophobicContact CB-CB 3.8Å; M409-A528 HydrophobicContact CE-CB 3.78Å; M409-A528 HydrophobicContact CG-CB 4Å
529	L	94.6	Very high	81.3	Confident	29 Å²	29	47.8 Å²	47.8	15%	0.152	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-87.4	132.1	176.7	-168.8	61.4	0	0	0	109.8	L311 Y313 F524 K527 K533 A534	L311-L529 HydrophobicContact CD2-CB 4.32Å; Y313-L529 WeakPolarHBondContact CE1-O 2.94Å; Y313-L529 PolarHBondContact OH-O 2.91Å; F524-L529 HydrophobicContact CZ-CD2 3.98Å; K527-L529 PolarHBondContact O-N 3.11Å; L529-K533 HydrophobicContact CD1-CB 3.68Å; L529-K533 HydrophobicContact CD1-CD 4.16Å; L529-K533 HydrophobicContact CG-CB 4.05Å; L529-A534 HydrophobicContact CD2-CB 3.67Å; L529-A534 HydrophobicContact CG-CB 3.98Å
530	G	97.4	Very high	83.8	Confident	4 Å²	4	49.5 Å²	49.5	4%	0.041	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-68.4	149	175.4	0	0	0	0	0	112	D532 K533 A534	G530-D532 PolarHBondContact O-N 3.46Å; G530-K533 PolarHBondContact O-N 3.04Å; G530-K533 VanDerWaalsContact O-N 3.1Å; G530-A534 PolarHBondContact O-N 3.38Å
531	L	98.4	Very high	85.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-52.4	-48.5	-172.2	-177.7	56.5	0	0	0	113.7	V286 V288 T293 I295 Y313 L396 F397 K533 A534 I535 L562	V286-L531 HydrophobicContact CG1-CD1 3.72Å; V288-L531 HydrophobicContact CG2-CD2 4.25Å; T293-L531 HydrophobicContact CG2-CD1 3.74Å; I295-L531 HydrophobicContact CD1-CD1 4.05Å; Y313-L531 PolarHBondContact OH-N 2.71Å; L396-L531 WeakPolarHBondContact O-CB 3.48Å; L396-L531 PolarHBondContact O-N 2.85Å; F397-L531 HydrophobicContact CD1-CB 4.26Å; F397-L531 HydrophobicContact CE1-CB 4.28Å; F397-L531 HydrophobicContact CE1-CD2 4.38Å; F397-L531 HydrophobicContact CZ-CD2 4.33Å; L531-K533 PolarHBondContact O-N 3.39Å; L531-A534 PolarHBondContact O-N 3.31Å; L531-I535 HydrophobicContact CD1-CD1 4.3Å; L531-I535 HydrophobicContact CG-CD1 4.16Å; L531-I535 VanDerWaalsContact O-CG1 3.32Å; L531-I535 WeakPolarHBondContact O-CG1 3.39Å; L531-I535 PolarHBondContact O-N 2.94Å; L531-L562 HydrophobicContact CD2-CD1 4.22Å; L531-L562 HydrophobicContact CD2-CD2 4.06Å
532	D	97.8	Very high	87.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-43.2	178.7	56.6	-8.7	0	0	0	112.7	F397 G530 A534 I535 L536 R574 I575 K578	F397-D532 HydrophobicContact CD1-CB 4Å; F397-D532 HydrophobicContact CE1-CB 4.32Å; G530-D532 PolarHBondContact O-N 3.46Å; D532-A534 VanDerWaalsContact C-N 3.3Å; D532-A534 PolarHBondContact O-N 2.98Å; D532-I535 PolarHBondContact O-N 3.24Å; D532-L536 WeakPolarHBondContact O-CG 3.32Å; D532-L536 PolarHBondContact O-N 3.24Å; D532-L536 VanDerWaalsContact O-N 3.11Å; D532-R574 HydrophobicContact CB-CB 4.4Å; D532-R574 IonicContact OD2-CZ 3.03Å; D532-R574 IonicContact OD2-NE 3.61Å; D532-R574 PolarHBondContact OD2-NE 3.44Å; D532-R574 IonicContact OD2-NH2 3.32Å; D532-R574 PolarHBondContact OD2-NH2 3.12Å; D532-I575 HydrophobicContact CB-CD1 4.36Å; D532-K578 IonicContact OD1-NZ 2.72Å; D532-K578 WeakPolarHBondContact OD2-CE 3.45Å; D532-K578 IonicContact OD2-NZ 3.27Å; D532-K578 PolarHBondContact OD2-NZ 3.16Å
533	K	96.8	Very high	89.4	Confident	105 Å²	105	45.2 Å²	45.2	46%	0.457	25%	0.246	S	C	.	.	H	α-helix	trans	-64.7	-37.3	176.1	-63.2	-179.6	-178.9	-179.9	0	111.6	L529 G530 L531 L536 H537	L529-K533 HydrophobicContact CD1-CB 3.68Å; L529-K533 HydrophobicContact CD1-CD 4.16Å; L529-K533 HydrophobicContact CG-CB 4.05Å; G530-K533 PolarHBondContact O-N 3.04Å; G530-K533 VanDerWaalsContact O-N 3.1Å; L531-K533 PolarHBondContact O-N 3.39Å; K533-L536 PolarHBondContact O-N 3.33Å; K533-H537 WeakPolarHBondContact O-CB 3.42Å; K533-H537 PolarHBondContact O-N 2.88Å
534	A	97.7	Very high	91	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-38.9	178.6	0	0	0	0	0	111.9	I295 L309 L311 L529 G530 L531 D532 H537 S538	I295-A534 HydrophobicContact CD1-CB 3.3Å; L309-A534 HydrophobicContact CD1-CB 4.31Å; L309-A534 VanDerWaalsContact CD1-O 3.24Å; L309-A534 WeakPolarHBondContact CD1-O 3.25Å; L311-A534 HydrophobicContact CD1-CB 3.75Å; L311-A534 HydrophobicContact CD2-CB 4.25Å; L529-A534 HydrophobicContact CD2-CB 3.67Å; L529-A534 HydrophobicContact CG-CB 3.98Å; G530-A534 PolarHBondContact O-N 3.38Å; L531-A534 PolarHBondContact O-N 3.31Å; D532-A534 VanDerWaalsContact C-N 3.3Å; D532-A534 PolarHBondContact O-N 2.98Å; A534-H537 PolarHBondContact O-N 3.3Å; A534-S538 WeakPolarHBondContact O-CB 3.12Å; A534-S538 PolarHBondContact O-N 3.01Å
535	I	98.4	Very high	92.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-50.7	172.5	-67.8	163.4	0	0	0	110.7	V286 I295 L531 D532 H537 S538 I539 I555 L571 I575	V286-I535 HydrophobicContact CG1-CD1 4.35Å; V286-I535 HydrophobicContact CG2-CD1 3.78Å; V286-I535 HydrophobicContact CG2-CG1 3.65Å; I295-I535 HydrophobicContact CD1-CG1 4.25Å; I295-I535 HydrophobicContact CG2-CG1 4.42Å; L531-I535 HydrophobicContact CD1-CD1 4.3Å; L531-I535 HydrophobicContact CG-CD1 4.16Å; L531-I535 VanDerWaalsContact O-CG1 3.32Å; L531-I535 WeakPolarHBondContact O-CG1 3.39Å; L531-I535 PolarHBondContact O-N 2.94Å; D532-I535 PolarHBondContact O-N 3.24Å; I535-H537 VanDerWaalsContact C-N 3.31Å; I535-H537 PolarHBondContact O-N 2.83Å; I535-S538 WeakPolarHBondContact O-CB 3.07Å; I535-S538 PolarHBondContact O-N 3.47Å; I535-I539 HydrophobicContact CG2-CD1 3.99Å; I535-I539 WeakPolarHBondContact O-CG1 3.45Å; I535-I539 PolarHBondContact O-N 2.91Å; I535-I555 HydrophobicContact CG2-CD1 4.1Å; I535-I555 HydrophobicContact CG2-CG2 4.5Å; I535-L571 HydrophobicContact CD1-CD1 3.91Å; I535-L571 HydrophobicContact CD1-CD2 4.11Å; I535-I575 HydrophobicContact CB-CD1 4.09Å; I535-I575 HydrophobicContact CD1-CD1 4.26Å; I535-I575 HydrophobicContact CG2-CD1 3.83Å
536	L	97	Very high	93.3	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.131	26%	0.26	C	S	.	.	H	α-helix	trans	-59.9	-42.2	178.9	-64.5	174.6	0	0	0	111.9	D532 K533 I539 D540 Y552 I575 K578 M579	D532-L536 WeakPolarHBondContact O-CG 3.32Å; D532-L536 PolarHBondContact O-N 3.24Å; D532-L536 VanDerWaalsContact O-N 3.11Å; K533-L536 PolarHBondContact O-N 3.33Å; L536-I539 PolarHBondContact O-N 3.15Å; L536-D540 WeakPolarHBondContact O-CB 3.26Å; L536-D540 PolarHBondContact O-N 3.33Å; L536-Y552 HydrophobicContact CD2-CE1 3.67Å; L536-I575 HydrophobicContact CD2-CD1 4.37Å; L536-I575 HydrophobicContact CD2-CG2 4.44Å; L536-I575 HydrophobicContact CG-CD1 4.47Å; L536-K578 HydrophobicContact CD1-CB 3.51Å; L536-M579 HydrophobicContact CD2-CB 4.37Å
537	H	95.9	Very high	94.5	Very high	62 Å²	62	43.3 Å²	43.3	29%	0.287	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-43.9	176.6	-179.5	-75.7	0	0	0	112.3	L309 F524 K533 A534 I535 I539 D540 C541	L309-H537 HydrophobicContact CD1-CB 4.33Å; F524-H537 AromaticContact CZ-NE2 3.82Å; K533-H537 WeakPolarHBondContact O-CB 3.42Å; K533-H537 PolarHBondContact O-N 2.88Å; A534-H537 PolarHBondContact O-N 3.3Å; I535-H537 VanDerWaalsContact C-N 3.31Å; I535-H537 PolarHBondContact O-N 2.83Å; H537-I539 VanDerWaalsContact C-N 3.33Å; H537-I539 PolarHBondContact O-N 2.88Å; H537-D540 PolarHBondContact O-N 2.88Å; H537-C541 PolarHBondContact CE1-SG 2.94Å; H537-C541 PolarHBondContact O-N 2.93Å; H537-C541 VanDerWaalsContact O-N 3.12Å; H537-C541 PolarHBondContact O-SG 2.86Å
538	S	96.8	Very high	95.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-55.6	-49.5	175.5	176.4	0	0	0	0	111.2	C297 S307 A534 I535 C541	C297-S538 PolarHBondContact SG-OG 3.13Å; C297-S538 VanDerWaalsContact SG-OG 3.39Å; S307-S538 WeakPolarHBondContact CB-O 3.23Å; S307-S538 WeakPolarHBondContact O-CB 3.33Å; S307-S538 PolarHBondContact O-OG 3.37Å; A534-S538 WeakPolarHBondContact O-CB 3.12Å; A534-S538 PolarHBondContact O-N 3.01Å; I535-S538 WeakPolarHBondContact O-CB 3.07Å; I535-S538 PolarHBondContact O-N 3.47Å; S538-C541 PolarHBondContact O-N 3.25Å
539	I	97.1	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-42.5	-179.5	-63.1	174.9	0	0	0	110.5	C284 I535 L536 H537 C541 C542 K548 M551 Y552 I555	C284-I539 HydrophobicContact CB-CD1 4.13Å; C284-I539 HydrophobicContact CB-CG1 4.12Å; I535-I539 HydrophobicContact CG2-CD1 3.99Å; I535-I539 WeakPolarHBondContact O-CG1 3.45Å; I535-I539 PolarHBondContact O-N 2.91Å; L536-I539 PolarHBondContact O-N 3.15Å; H537-I539 VanDerWaalsContact C-N 3.33Å; H537-I539 PolarHBondContact O-N 2.88Å; I539-C541 PolarHBondContact O-N 2.78Å; I539-C542 VanDerWaalsContact O-CB 3.26Å; I539-C542 WeakPolarHBondContact O-CB 3.16Å; I539-C542 PolarHBondContact O-N 3.12Å; I539-C542 PolarHBondContact O-SG 2.93Å; I539-K548 HydrophobicContact CG2-CB 4.24Å; I539-K548 HydrophobicContact CG2-CG 4.37Å; I539-K548 WeakPolarHBondContact O-CG 3.43Å; I539-M551 HydrophobicContact CB-CB 4.43Å; I539-M551 HydrophobicContact CD1-CB 4.14Å; I539-M551 HydrophobicContact CG1-CB 3.85Å; I539-M551 HydrophobicContact CG2-CB 3.92Å; I539-Y552 HydrophobicContact CB-CE1 4.5Å; I539-Y552 HydrophobicContact CB-CE2 4.44Å; I539-Y552 HydrophobicContact CD1-CD1 3.81Å; I539-Y552 HydrophobicContact CD1-CE1 3.9Å; I539-Y552 HydrophobicContact CD1-CG 4.3Å; I539-Y552 HydrophobicContact CG2-CD1 4.4Å; I539-Y552 HydrophobicContact CG2-CD2 3.71Å; I539-Y552 HydrophobicContact CG2-CE1 4.17Å; I539-Y552 HydrophobicContact CG2-CE2 3.42Å; I539-Y552 VanDerWaalsContact CG2-CE2 3.42Å; I539-Y552 HydrophobicContact CG2-CG 4.17Å; I539-I555 HydrophobicContact CD1-CD1 4.49Å
540	D	95.3	Very high	95.6	Very high	88 Å²	88	42.1 Å²	42.1	47%	0.471	23%	0.226	S	C	.	.	H	α-helix	trans	-65.5	-24.5	-179.5	-166.9	45.8	0	0	0	113.6	L536 H537 C542 K548	L536-D540 WeakPolarHBondContact O-CB 3.26Å; L536-D540 PolarHBondContact O-N 3.33Å; H537-D540 PolarHBondContact O-N 2.88Å; D540-C542 PolarHBondContact O-N 3.35Å; D540-K548 WeakPolarHBondContact O-CE 3.43Å; D540-K548 PolarHBondContact O-NZ 3.08Å; D540-K548 IonicContact OD1-NZ 3.28Å; D540-K548 PolarHBondContact OD1-NZ 3.26Å
541	C	94	Very high	95.6	Very high	40 Å²	40	41.9 Å²	41.9	27%	0.27	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.7	174.7	-66.3	0	0	0	0	114.2	N306 H537 S538 I539	N306-C541 HydrophobicContact CB-CB 4.34Å; N306-C541 WeakPolarHBondContact O-CB 3.44Å; H537-C541 PolarHBondContact CE1-SG 2.94Å; H537-C541 PolarHBondContact O-N 2.93Å; H537-C541 VanDerWaalsContact O-N 3.12Å; H537-C541 PolarHBondContact O-SG 2.86Å; S538-C541 PolarHBondContact O-N 3.25Å; I539-C541 PolarHBondContact O-N 2.78Å
542	C	93.6	Very high	95.5	Very high	6 Å²	6	42 Å²	42	4%	0.041	22%	0.224	C	C	.	.	S	Bend	trans	-66.7	141.9	171.3	-68	0	0	0	0	111	C297 I539 D540 T547 K548	C297-C542 VanDerWaalsContact CB-SG 3.51Å; C297-C542 PolarHBondContact SG-SG 3.37Å; I539-C542 VanDerWaalsContact O-CB 3.26Å; I539-C542 WeakPolarHBondContact O-CB 3.16Å; I539-C542 PolarHBondContact O-N 3.12Å; I539-C542 PolarHBondContact O-SG 2.93Å; D540-C542 PolarHBondContact O-N 3.35Å; C542-T547 HydrophobicContact CB-CG2 3.84Å; C542-K548 HydrophobicContact CB-CG 3.91Å; C542-K548 WeakPolarHBondContact O-CE 3.27Å
543	A	89.8	Confident	95.4	Very high	105 Å²	105	44.4 Å²	44.4	87%	0.868	24%	0.241	S	C	*	.	S	Bend	trans	-72.1	-36	-171.9	0	0	0	0	0	114
544	S	93.6	Very high	95.4	Very high	46 Å²	46	40.2 Å²	40.2	32%	0.322	23%	0.225	S	C	.	.	S	Bend	trans	-110.3	143.5	-176.6	88.2	0	0	0	0	111.8	E546 T547 K548	S544-E546 PolarHBondContact O-N 3.17Å; S544-T547 PolarHBondContact O-N 3.13Å; S544-T547 WeakPolarHBondContact OG-CB 3.43Å; S544-T547 PolarHBondContact OG-N 3.06Å; S544-T547 PolarHBondContact OG-OG1 2.81Å; S544-K548 WeakPolarHBondContact O-CG 3.43Å; S544-K548 PolarHBondContact O-N 3.01Å
545	D	93.6	Very high	95.4	Very high	96 Å²	96	40.2 Å²	40.2	51%	0.513	23%	0.225	S	C	.	.	H	α-helix	trans	-63.4	-28.1	173.8	-78	-6.3	0	0	0	112.1	K548 R549 F583	D545-K548 WeakPolarHBondContact O-CB 3.41Å; D545-K548 PolarHBondContact O-N 3.3Å; D545-R549 WeakPolarHBondContact O-CG 3.45Å; D545-R549 PolarHBondContact O-N 3.07Å; D545-F583 HydrophobicContact CB-CE1 4.29Å; D545-F583 HydrophobicContact CB-CZ 4.21Å
546	E	93.9	Very high	95.5	Very high	105 Å²	105	40.2 Å²	40.2	49%	0.491	23%	0.225	S	C	.	.	H	α-helix	trans	-65.5	-47.9	173.6	-174.3	178.9	164.9	0	0	111.6	S544 K548 R549 K550	S544-E546 PolarHBondContact O-N 3.17Å; E546-K548 VanDerWaalsContact C-N 3.3Å; E546-K548 PolarHBondContact O-N 3.39Å; E546-R549 WeakPolarHBondContact O-CB 3.32Å; E546-R549 PolarHBondContact O-N 3.19Å; E546-R549 VanDerWaalsContact O-N 3.17Å; E546-K550 PolarHBondContact O-N 3.38Å; E546-K550 IonicContact OE1-NZ 3.79Å
547	T	94.7	Very high	95.5	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-45.6	173	-58.4	0	0	0	0	109.4	E299 C542 S544 R549 K550 M551	E299-T547 VanDerWaalsContact OE2-CG2 3.26Å; E299-T547 WeakPolarHBondContact OE2-CG2 3.18Å; E299-T547 PolarHBondContact OE2-OG1 2.74Å; C542-T547 HydrophobicContact CB-CG2 3.84Å; S544-T547 PolarHBondContact O-N 3.13Å; S544-T547 WeakPolarHBondContact OG-CB 3.43Å; S544-T547 PolarHBondContact OG-N 3.06Å; S544-T547 PolarHBondContact OG-OG1 2.81Å; T547-R549 VanDerWaalsContact C-N 3.32Å; T547-R549 PolarHBondContact O-N 3.45Å; T547-K550 PolarHBondContact O-N 2.94Å; T547-K550 VanDerWaalsContact O-N 3.12Å; T547-M551 HydrophobicContact CG2-CE 3.49Å; T547-M551 VanDerWaalsContact CG2-CE 3.49Å; T547-M551 HydrophobicContact CG2-CG 4.18Å; T547-M551 VanDerWaalsContact O-CG 3.25Å; T547-M551 WeakPolarHBondContact O-CG 3.24Å; T547-M551 PolarHBondContact O-N 3.3Å
548	K	95.8	Very high	95.7	Very high	25 Å²	25	36.4 Å²	36.4	11%	0.109	21%	0.207	C	C	.	.	H	α-helix	trans	-55	-45.3	176.1	-68.5	-178.6	-177.4	-167.9	0	112.1	I539 D540 C542 S544 D545 E546 M551 Y552 F583	I539-K548 HydrophobicContact CG2-CB 4.24Å; I539-K548 HydrophobicContact CG2-CG 4.37Å; I539-K548 WeakPolarHBondContact O-CG 3.43Å; D540-K548 WeakPolarHBondContact O-CE 3.43Å; D540-K548 PolarHBondContact O-NZ 3.08Å; D540-K548 IonicContact OD1-NZ 3.28Å; D540-K548 PolarHBondContact OD1-NZ 3.26Å; C542-K548 HydrophobicContact CB-CG 3.91Å; C542-K548 WeakPolarHBondContact O-CE 3.27Å; S544-K548 WeakPolarHBondContact O-CG 3.43Å; S544-K548 PolarHBondContact O-N 3.01Å; D545-K548 WeakPolarHBondContact O-CB 3.41Å; D545-K548 PolarHBondContact O-N 3.3Å; E546-K548 VanDerWaalsContact C-N 3.3Å; E546-K548 PolarHBondContact O-N 3.39Å; K548-M551 PolarHBondContact O-N 3.27Å; K548-Y552 WeakPolarHBondContact O-CD2 3.18Å; K548-Y552 PolarHBondContact O-N 3.08Å; K548-F583 HydrophobicContact CB-CD1 4.41Å; K548-F583 HydrophobicContact CB-CE1 3.65Å; K548-F583 HydrophobicContact CB-CZ 3.77Å; K548-F583 HydrophobicContact CD-CE1 4.35Å; K548-F583 HydrophobicContact CD-CE2 4.02Å; K548-F583 HydrophobicContact CD-CZ 3.57Å; K548-F583 HydrophobicContact CG-CZ 4.29Å
549	R	94.9	Very high	95.7	Very high	90 Å²	90	36.9 Å²	36.9	34%	0.34	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-47.7	175.2	-72.5	-171.3	-60.1	-113.6	6.9	112.1	D545 E546 T547 M551 Y552 S553 F583 L586 V587	D545-R549 WeakPolarHBondContact O-CG 3.45Å; D545-R549 PolarHBondContact O-N 3.07Å; E546-R549 WeakPolarHBondContact O-CB 3.32Å; E546-R549 PolarHBondContact O-N 3.19Å; E546-R549 VanDerWaalsContact O-N 3.17Å; T547-R549 VanDerWaalsContact C-N 3.32Å; T547-R549 PolarHBondContact O-N 3.45Å; R549-M551 VanDerWaalsContact C-N 3.32Å; R549-M551 PolarHBondContact O-N 3.15Å; R549-Y552 PolarHBondContact O-N 3.02Å; R549-S553 WeakPolarHBondContact O-CB 3.4Å; R549-S553 PolarHBondContact O-N 3.38Å; R549-F583 HydrophobicContact CG-CD1 4.13Å; R549-F583 HydrophobicContact CG-CE1 4.18Å; R549-L586 HydrophobicContact CG-CD2 4.09Å; R549-L586 HydrophobicContact CG-CG 4.34Å; R549-V587 HydrophobicContact CB-CG2 4.29Å; R549-V587 HydrophobicContact CG-CG2 4.2Å
550	K	95.4	Very high	95.6	Very high	72 Å²	72	38.2 Å²	38.2	31%	0.313	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-44.8	177.4	-66.4	179.2	-172.3	174.6	0	111.4	E299 E546 T547 S553 S554	E299-K550 WeakPolarHBondContact OE1-CD 3.39Å; E299-K550 IonicContact OE1-NZ 3.8Å; E299-K550 PolarHBondContact OE1-NZ 2.99Å; E546-K550 PolarHBondContact O-N 3.38Å; E546-K550 IonicContact OE1-NZ 3.79Å; T547-K550 PolarHBondContact O-N 2.94Å; T547-K550 VanDerWaalsContact O-N 3.12Å; K550-S553 PolarHBondContact O-N 3.45Å; K550-S554 PolarHBondContact O-N 3.28Å; K550-S554 VanDerWaalsContact O-N 3.07Å
551	M	97.2	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.9	-35.6	-179.5	-59.1	-52	155.9	0	0	113.3	C284 C297 V298 E299 I539 T547 K548 R549 S553 S554 I555	C284-M551 HydrophobicContact CB-CB 4.21Å; C297-M551 HydrophobicContact CB-CE 3.96Å; C297-M551 HydrophobicContact CB-CG 3.84Å; C297-M551 HydrophobicContact CB-SD 3.64Å; V298-M551 WeakPolarHBondContact O-CE 3.49Å; E299-M551 HydrophobicContact CB-CE 3.98Å; I539-M551 HydrophobicContact CB-CB 4.43Å; I539-M551 HydrophobicContact CD1-CB 4.14Å; I539-M551 HydrophobicContact CG1-CB 3.85Å; I539-M551 HydrophobicContact CG2-CB 3.92Å; T547-M551 HydrophobicContact CG2-CE 3.49Å; T547-M551 VanDerWaalsContact CG2-CE 3.49Å; T547-M551 HydrophobicContact CG2-CG 4.18Å; T547-M551 VanDerWaalsContact O-CG 3.25Å; T547-M551 WeakPolarHBondContact O-CG 3.24Å; T547-M551 PolarHBondContact O-N 3.3Å; K548-M551 PolarHBondContact O-N 3.27Å; R549-M551 VanDerWaalsContact C-N 3.32Å; R549-M551 PolarHBondContact O-N 3.15Å; M551-S553 VanDerWaalsContact C-N 3.34Å; M551-S554 CarbonylContact O-C 3.53Å; M551-S554 VanDerWaalsContact O-O 3.13Å; M551-I555 WeakPolarHBondContact O-CG1 3.38Å
552	Y	96.1	Very high	95.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-34	172.1	-82.1	-60.4	0	0	0	112.2	L536 I539 K548 R549 S554 M579 P580 F583 V590	L536-Y552 HydrophobicContact CD2-CE1 3.67Å; I539-Y552 HydrophobicContact CB-CE1 4.5Å; I539-Y552 HydrophobicContact CB-CE2 4.44Å; I539-Y552 HydrophobicContact CD1-CD1 3.81Å; I539-Y552 HydrophobicContact CD1-CE1 3.9Å; I539-Y552 HydrophobicContact CD1-CG 4.3Å; I539-Y552 HydrophobicContact CG2-CD1 4.4Å; I539-Y552 HydrophobicContact CG2-CD2 3.71Å; I539-Y552 HydrophobicContact CG2-CE1 4.17Å; I539-Y552 HydrophobicContact CG2-CE2 3.42Å; I539-Y552 VanDerWaalsContact CG2-CE2 3.42Å; I539-Y552 HydrophobicContact CG2-CG 4.17Å; K548-Y552 WeakPolarHBondContact O-CD2 3.18Å; K548-Y552 PolarHBondContact O-N 3.08Å; R549-Y552 PolarHBondContact O-N 3.02Å; Y552-S554 VanDerWaalsContact C-N 3.33Å; Y552-M579 HydrophobicContact CD1-CE 4.38Å; Y552-M579 HydrophobicContact CE1-CB 4.15Å; Y552-P580 WeakPolarHBondContact OH-CD 3.36Å; Y552-F583 HydrophobicContact CD2-CB 4.1Å; Y552-F583 HydrophobicContact CD2-CD1 4.17Å; Y552-F583 HydrophobicContact CD2-CG 4.09Å; Y552-F583 HydrophobicContact CE2-CB 4.06Å; Y552-F583 HydrophobicContact CE2-CD1 4.3Å; Y552-F583 HydrophobicContact CE2-CD2 4.11Å; Y552-F583 AromaticContact CE2-CG 3.89Å; Y552-F583 HydrophobicContact CE2-CG 3.89Å; Y552-V590 WeakPolarHBondContact O-CG1 3.3Å
553	S	95.6	Very high	96.1	Very high	52 Å²	52	36 Å²	36	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-69.2	-33.1	178.2	-174.3	0	0	0	0	112.2	R549 K550 M551 N589 E591	R549-S553 WeakPolarHBondContact O-CB 3.4Å; R549-S553 PolarHBondContact O-N 3.38Å; K550-S553 PolarHBondContact O-N 3.45Å; M551-S553 VanDerWaalsContact C-N 3.34Å; S553-N589 WeakPolarHBondContact CA-O 3.15Å; S553-N589 PolarHBondContact OG-O 3.28Å; S553-E591 VanDerWaalsContact O-CB 3.29Å; S553-E591 WeakPolarHBondContact O-CB 3.33Å; S553-E591 PolarHBondContact O-N 2.93Å
554	S	97.2	Very high	96.5	Very high	16 Å²	16	31.9 Å²	31.9	11%	0.112	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	102	-175.3	179.8	0	0	0	0	112	S282 A283 C284 K550 M551 Y552	S282-S554 PolarHBondContact O-OG 3.33Å; A283-S554 WeakPolarHBondContact CA-O 3.29Å; C284-S554 PolarHBondContact N-O 2.96Å; K550-S554 PolarHBondContact O-N 3.28Å; K550-S554 VanDerWaalsContact O-N 3.07Å; M551-S554 CarbonylContact O-C 3.53Å; M551-S554 VanDerWaalsContact O-O 3.13Å; Y552-S554 VanDerWaalsContact C-N 3.33Å
555	I	98.6	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	108.1	173.8	-58	170.7	0	0	0	108.6	C284 V286 I535 I539 M551 I575 E591 V592 I593	C284-I555 HydrophobicContact CB-CG1 4.26Å; C284-I555 CarbonylContact O-C 3.51Å; C284-I555 WeakPolarHBondContact O-CA 3.41Å; V286-I555 HydrophobicContact CG2-CG2 4.03Å; I535-I555 HydrophobicContact CG2-CD1 4.1Å; I535-I555 HydrophobicContact CG2-CG2 4.5Å; I539-I555 HydrophobicContact CD1-CD1 4.49Å; M551-I555 WeakPolarHBondContact O-CG1 3.38Å; I555-I575 HydrophobicContact CD1-CB 4.49Å; I555-I575 HydrophobicContact CD1-CG1 4.09Å; I555-I575 HydrophobicContact CD1-CG2 3.85Å; I555-E591 PolarHBondContact N-O 2.77Å; I555-V592 HydrophobicContact CB-CG2 4.3Å; I555-V592 HydrophobicContact CD1-CG2 4.42Å; I555-V592 CarbonylContact O-C 3.57Å; I555-V592 WeakPolarHBondContact O-CA 3.29Å; I555-I593 PolarHBondContact O-N 2.97Å
556	L	98.7	Very high	96.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.1	178.9	176.3	67.1	0	0	0	110	A274 L280 A283 C284 V285 V286 V558 I593 P596	A274-L556 HydrophobicContact CB-CD2 4.16Å; L280-L556 HydrophobicContact CD1-CB 4.13Å; L280-L556 HydrophobicContact CD1-CD1 4.25Å; L280-L556 HydrophobicContact CD1-CD2 4.34Å; L280-L556 HydrophobicContact CD1-CG 4.45Å; A283-L556 HydrophobicContact CB-CB 4.09Å; C284-L556 PolarHBondContact O-N 2.73Å; V285-L556 CarbonylContact C-O 3.07Å; V285-L556 WeakPolarHBondContact CA-O 3.38Å; V285-L556 HydrophobicContact CG2-CD2 4.39Å; V286-L556 PolarHBondContact N-O 2.84Å; L556-V558 HydrophobicContact CD1-CG1 4.13Å; L556-V558 HydrophobicContact CD2-CG1 3.88Å; L556-V558 HydrophobicContact CG-CG1 3.74Å; L556-I593 HydrophobicContact CD1-CB 4.29Å; L556-I593 HydrophobicContact CD1-CG2 4.12Å; L556-P596 HydrophobicContact CD1-CG 3.95Å
557	V	98.7	Very high	97.1	Very high	7 Å²	7	26.6 Å²	26.6	4%	0.042	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	120.9	173.6	-175.2	0	0	0	0	109.7	V286 L562 L571 V592 I593 T594	V286-V557 HydrophobicContact CB-CG2 4.29Å; V286-V557 CarbonylContact O-C 3.47Å; V286-V557 WeakPolarHBondContact O-CA 3.43Å; V557-L562 HydrophobicContact CG1-CB 4.32Å; V557-L562 HydrophobicContact CG1-CD2 3.87Å; V557-L571 HydrophobicContact CG2-CD2 3.68Å; V557-V592 HydrophobicContact CG2-CG1 3.89Å; V557-I593 PolarHBondContact N-O 3.13Å; V557-T594 HydrophobicContact CB-CG2 4.13Å; V557-T594 HydrophobicContact CG2-CG2 4.45Å
558	V	98.3	Very high	97.3	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	177.3	177.2	-52.9	0	0	0	0	111.1	A274 V285 V286 D287 V288 L556 I604	A274-V558 HydrophobicContact CB-CG1 4.09Å; A274-V558 HydrophobicContact CB-CG2 4.27Å; V285-V558 HydrophobicContact CG1-CG2 4.26Å; V286-V558 PolarHBondContact O-N 3.14Å; D287-V558 HydrophobicContact CB-CG2 3.56Å; V288-V558 PolarHBondContact N-O 2.93Å; L556-V558 HydrophobicContact CD1-CG1 4.13Å; L556-V558 HydrophobicContact CD2-CG1 3.88Å; L556-V558 HydrophobicContact CG-CG1 3.74Å; V558-I604 HydrophobicContact CB-CD1 4.31Å; V558-I604 HydrophobicContact CG1-CB 4.1Å; V558-I604 HydrophobicContact CG1-CD1 3.65Å; V558-I604 HydrophobicContact CG1-CG1 4.48Å; V558-I604 HydrophobicContact CG1-CG2 4.11Å
559	G	97.1	Very high	97.3	Very high	10 Å²	10	33.2 Å²	33.2	10%	0.103	17%	0.174	C	C	.	.	S	Bend	trans	85.1	169.6	-179.4	0	0	0	0	0	113.5	D287 V288 P601	D287-G559 WeakPolarHBondContact OD1-CA 3.41Å; V288-G559 CarbonylContact O-C 3.5Å; V288-G559 WeakPolarHBondContact O-CA 3.41Å; G559-P601 PolarHBondContact N-O 3.02Å; G559-P601 WeakPolarHBondContact O-CB 3.29Å
560	G	96.1	Very high	97.5	Very high	28 Å²	28	29.1 Å²	29.1	29%	0.289	16%	0.159	S	C	.	.	S	Bend	trans	-89.5	-11.7	-173.2	0	0	0	0	0	115.6	V288	V288-G560 PolarHBondContact O-N 2.74Å; V288-G560 VanDerWaalsContact O-N 3.17Å
561	G	97.6	Very high	97.6	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-13.3	-166.6	0	0	0	0	0	115.4	V288 F564	V288-G561 WeakPolarHBondContact O-CA 3.46Å; V288-G561 PolarHBondContact O-N 2.68Å; G561-F564 WeakPolarHBondContact O-CE2 3.16Å
562	L	98.2	Very high	97.6	Very high	9 Å²	9	28 Å²	28	5%	0.047	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	22.9	176.3	-157.1	73.5	0	0	0	112.9	V288 L357 L396 L531 V557 F564 A567 L571	V288-L562 HydrophobicContact CB-CB 4.07Å; V288-L562 HydrophobicContact CG1-CB 4.33Å; V288-L562 HydrophobicContact CG2-CB 3.95Å; L357-L562 HydrophobicContact CD1-CD1 4.16Å; L396-L562 HydrophobicContact CD1-CD1 3.35Å; L531-L562 HydrophobicContact CD2-CD1 4.22Å; L531-L562 HydrophobicContact CD2-CD2 4.06Å; V557-L562 HydrophobicContact CG1-CB 4.32Å; V557-L562 HydrophobicContact CG1-CD2 3.87Å; L562-F564 HydrophobicContact CD1-CD2 4.13Å; L562-F564 HydrophobicContact CD1-CE2 4.31Å; L562-F564 PolarHBondContact O-N 2.79Å; L562-A567 HydrophobicContact CG-CB 4.18Å; L562-A567 WeakPolarHBondContact O-CB 3.26Å; L562-L571 HydrophobicContact CD2-CD2 4.38Å
563	M	97.5	Very high	97.6	Very high	76 Å²	76	31.8 Å²	31.8	37%	0.374	17%	0.174	S	C	.	.			trans	-76.3	39.1	178.9	-65.9	178.3	66	0	0	113.3	P601 R602	M563-P601 HydrophobicContact CG-CG 4.28Å; M563-R602 HydrophobicContact SD-CG 3.77Å
564	F	98.3	Very high	97.6	Very high	18 Å²	18	30.5 Å²	30.5	8%	0.079	16%	0.161	C	C	.	.			trans	-85.4	147.7	178.8	-56	-69.1	0	0	0	111.3	V318 K351 C355 L357 P393 L396 G561 L562 G566 A567	V318-F564 HydrophobicContact CG1-CZ 3.9Å; K351-F564 HydrophobicContact CD-CE1 4.26Å; K351-F564 HydrophobicContact CD-CZ 4.35Å; K351-F564 HydrophobicContact CG-CE1 4.12Å; C355-F564 HydrophobicContact CB-CD1 3.72Å; C355-F564 HydrophobicContact CB-CE1 3.69Å; L357-F564 HydrophobicContact CD1-CB 4.36Å; L357-F564 HydrophobicContact CD1-CD2 4.15Å; L357-F564 HydrophobicContact CG-CB 4.28Å; P393-F564 HydrophobicContact CB-CD1 4.37Å; P393-F564 HydrophobicContact CB-CD2 3.9Å; P393-F564 HydrophobicContact CB-CE1 4.35Å; P393-F564 HydrophobicContact CB-CE2 3.87Å; P393-F564 HydrophobicContact CB-CG 4.16Å; P393-F564 HydrophobicContact CB-CZ 4.11Å; P393-F564 HydrophobicContact CG-CD1 3.91Å; P393-F564 HydrophobicContact CG-CD2 4.32Å; P393-F564 HydrophobicContact CG-CE1 3.85Å; P393-F564 HydrophobicContact CG-CE2 4.27Å; P393-F564 HydrophobicContact CG-CG 4.15Å; P393-F564 HydrophobicContact CG-CZ 4.05Å; L396-F564 HydrophobicContact CD1-CE2 4.08Å; G561-F564 WeakPolarHBondContact O-CE2 3.16Å; L562-F564 HydrophobicContact CD1-CD2 4.13Å; L562-F564 HydrophobicContact CD1-CE2 4.31Å; L562-F564 PolarHBondContact O-N 2.79Å; F564-G566 PolarHBondContact O-N 3.29Å; F564-A567 HydrophobicContact CB-CB 4.34Å; F564-A567 WeakPolarHBondContact O-CB 3.39Å; F564-A567 PolarHBondContact O-N 2.93Å; F564-A567 VanDerWaalsContact O-N 3.15Å
565	H	98.3	Very high	97.6	Very high	118 Å²	118	29.7 Å²	29.7	55%	0.546	16%	0.156	S	C	.	.	B	Isolated β-bridge	trans	-57.9	131.3	170.6	-180	-95.2	0	0	0	110.9	H356 L357 D358 A567	H356-H565 HydrophobicContact CB-CB 4.07Å; L357-H565 PolarHBondContact N-O 3.33Å; D358-H565 IonicContact OD2-CE1 2.85Å; D358-H565 PolarHBondContact OD2-CE1 3Å; D358-H565 VanDerWaalsContact OD2-CE1 3.28Å; D358-H565 IonicContact OD2-ND1 2.76Å; H565-A567 VanDerWaalsContact C-N 3.31Å; H565-A567 PolarHBondContact O-N 2.93Å
566	G	97.4	Very high	97.4	Very high	15 Å²	15	32 Å²	32	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	8.6	-177.9	0	0	0	0	0	115.5	F564 Q568 E569 F570	F564-G566 PolarHBondContact O-N 3.29Å; G566-Q568 PolarHBondContact O-N 3.2Å; G566-E569 WeakPolarHBondContact CA-OE2 3.35Å; G566-F570 WeakPolarHBondContact O-CB 3.41Å; G566-F570 PolarHBondContact O-N 3.36Å
567	A	98	Very high	97.2	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-63	-39	-176.8	0	0	0	0	0	113.5	L357 L562 F564 H565 L571	L357-A567 HydrophobicContact CD1-CB 3.94Å; L562-A567 HydrophobicContact CG-CB 4.18Å; L562-A567 WeakPolarHBondContact O-CB 3.26Å; F564-A567 HydrophobicContact CB-CB 4.34Å; F564-A567 WeakPolarHBondContact O-CB 3.39Å; F564-A567 PolarHBondContact O-N 2.93Å; F564-A567 VanDerWaalsContact O-N 3.15Å; H565-A567 VanDerWaalsContact C-N 3.31Å; H565-A567 PolarHBondContact O-N 2.93Å; A567-L571 WeakPolarHBondContact O-CB 3.4Å; A567-L571 PolarHBondContact O-N 3.31Å
568	Q	97.6	Very high	96.9	Very high	64 Å²	64	39.6 Å²	39.6	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-63.4	-53.9	-178	-175.6	169.3	-71.7	0	0	111	G566 F570 L571 L572 V592 T594	G566-Q568 PolarHBondContact O-N 3.2Å; Q568-F570 VanDerWaalsContact C-N 3.32Å; Q568-F570 PolarHBondContact O-N 2.86Å; Q568-L571 PolarHBondContact O-N 2.93Å; Q568-L572 VanDerWaalsContact O-CB 3.29Å; Q568-L572 WeakPolarHBondContact O-CB 3.32Å; Q568-L572 PolarHBondContact O-N 3.08Å; Q568-V592 HydrophobicContact CG-CB 4.32Å; Q568-V592 HydrophobicContact CG-CG1 4.24Å; Q568-V592 WeakPolarHBondContact CG-O 3.45Å; Q568-V592 PolarHBondContact OE1-O 3.39Å; Q568-T594 HydrophobicContact CB-CG2 3.72Å; Q568-T594 HydrophobicContact CG-CG2 4.05Å; Q568-T594 VanDerWaalsContact OE1-N 3.14Å; Q568-T594 PolarHBondContact OE1-OG1 3.25Å
569	E	97.2	Very high	96.6	Very high	113 Å²	113	40 Å²	40	53%	0.528	21%	0.206	S	C	.	.	H	α-helix	trans	-64.6	-39.3	-179.8	-60.2	71.9	-155.8	0	0	110.8	G566 H573	G566-E569 WeakPolarHBondContact CA-OE2 3.35Å; E569-H573 VanDerWaalsContact O-CB 3.31Å; E569-H573 WeakPolarHBondContact O-CB 3.32Å; E569-H573 PolarHBondContact O-N 3.03Å
570	F	97.7	Very high	96.4	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-49.2	177.4	-177.1	-87.6	0	0	0	112	L357 M394 F397 G566 Q568 R574	L357-F570 HydrophobicContact CB-CB 3.88Å; L357-F570 HydrophobicContact CB-CD1 4.4Å; L357-F570 HydrophobicContact CB-CD2 4.22Å; L357-F570 HydrophobicContact CB-CG 3.93Å; L357-F570 HydrophobicContact CD1-CD1 4.13Å; L357-F570 HydrophobicContact CD1-CG 4.46Å; L357-F570 HydrophobicContact CD2-CD1 4.04Å; L357-F570 HydrophobicContact CD2-CD2 4.34Å; L357-F570 HydrophobicContact CD2-CE1 3.98Å; L357-F570 HydrophobicContact CD2-CE2 4.3Å; L357-F570 HydrophobicContact CD2-CG 4.22Å; L357-F570 HydrophobicContact CD2-CZ 4.11Å; L357-F570 HydrophobicContact CG-CD1 4.44Å; L357-F570 HydrophobicContact CG-CG 4.44Å; L357-F570 VanDerWaalsContact O-CD2 3.3Å; L357-F570 WeakPolarHBondContact O-CD2 3.5Å; M394-F570 HydrophobicContact CE-CZ 4.22Å; M394-F570 HydrophobicContact CG-CZ 4.06Å; M394-F570 HydrophobicContact SD-CE2 4.38Å; M394-F570 HydrophobicContact SD-CZ 4.21Å; F397-F570 HydrophobicContact CD1-CE1 4.32Å; F397-F570 AromaticContact CD2-CE1 3.74Å; F397-F570 HydrophobicContact CD2-CE1 3.74Å; F397-F570 HydrophobicContact CD2-CZ 4.49Å; F397-F570 HydrophobicContact CE1-CD1 4.34Å; F397-F570 HydrophobicContact CE1-CE1 4.02Å; F397-F570 AromaticContact CE2-CD1 3.88Å; F397-F570 HydrophobicContact CE2-CD1 3.88Å; F397-F570 AromaticContact CE2-CE1 3.42Å; F397-F570 HydrophobicContact CE2-CE1 3.42Å; F397-F570 VanDerWaalsContact CE2-CE1 3.42Å; F397-F570 HydrophobicContact CE2-CZ 4.47Å; F397-F570 HydrophobicContact CG-CE1 4.18Å; F397-F570 AromaticContact CZ-CD1 3.72Å; F397-F570 HydrophobicContact CZ-CD1 3.72Å; F397-F570 AromaticContact CZ-CE1 3.57Å; F397-F570 HydrophobicContact CZ-CE1 3.57Å; G566-F570 WeakPolarHBondContact O-CB 3.41Å; G566-F570 PolarHBondContact O-N 3.36Å; Q568-F570 VanDerWaalsContact C-N 3.32Å; Q568-F570 PolarHBondContact O-N 2.86Å; F570-R574 HydrophobicContact CE1-CG 4.22Å; F570-R574 WeakPolarHBondContact O-CG 3.49Å; F570-R574 PolarHBondContact O-N 3.19Å
571	L	98.1	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-46.3	179.5	179.1	60	0	0	0	110.7	F397 I535 V557 L562 A567 Q568 H573 R574 I575 V592	F397-L571 HydrophobicContact CE1-CD1 3.82Å; F397-L571 HydrophobicContact CZ-CD1 4.38Å; I535-L571 HydrophobicContact CD1-CD1 3.91Å; I535-L571 HydrophobicContact CD1-CD2 4.11Å; V557-L571 HydrophobicContact CG2-CD2 3.68Å; L562-L571 HydrophobicContact CD2-CD2 4.38Å; A567-L571 WeakPolarHBondContact O-CB 3.4Å; A567-L571 PolarHBondContact O-N 3.31Å; Q568-L571 PolarHBondContact O-N 2.93Å; L571-H573 VanDerWaalsContact C-N 3.33Å; L571-H573 PolarHBondContact O-N 3.37Å; L571-R574 PolarHBondContact O-N 3.42Å; L571-I575 HydrophobicContact CD1-CD1 4.21Å; L571-I575 HydrophobicContact CD1-CG1 4.04Å; L571-I575 HydrophobicContact CG-CG1 4.26Å; L571-I575 WeakPolarHBondContact O-CG1 3.39Å; L571-I575 PolarHBondContact O-N 3.42Å; L571-V592 HydrophobicContact CB-CG1 4.38Å; L571-V592 HydrophobicContact CD2-CG1 3.86Å; L571-V592 HydrophobicContact CG-CG1 4.29Å; L571-V592 HydrophobicContact CG-CG2 4.3Å
572	L	97.6	Very high	95.7	Very high	48 Å²	48	48.1 Å²	48.1	25%	0.251	25%	0.253	S	S	.	.	H	α-helix	trans	-52.9	-50.8	177	176.2	60.2	0	0	0	111.6	Q568 R574 I575 I576 V590 V592	Q568-L572 VanDerWaalsContact O-CB 3.29Å; Q568-L572 WeakPolarHBondContact O-CB 3.32Å; Q568-L572 PolarHBondContact O-N 3.08Å; L572-R574 VanDerWaalsContact C-N 3.26Å; L572-R574 PolarHBondContact O-N 2.88Å; L572-I575 PolarHBondContact O-N 2.94Å; L572-I576 HydrophobicContact CD1-CD1 3.68Å; L572-I576 HydrophobicContact CD1-CG1 4.07Å; L572-I576 HydrophobicContact CG-CD1 3.86Å; L572-I576 WeakPolarHBondContact O-CG1 3.46Å; L572-I576 PolarHBondContact O-N 3.47Å; L572-V590 HydrophobicContact CD1-CB 4.11Å; L572-V590 HydrophobicContact CD1-CG1 3.67Å; L572-V590 WeakPolarHBondContact CD1-O 3.28Å; L572-V592 HydrophobicContact CB-CB 4.27Å; L572-V592 HydrophobicContact CB-CG2 3.91Å; L572-V592 HydrophobicContact CD1-CG2 4.12Å
573	H	95.8	Very high	95.2	Very high	82 Å²	82	48.4 Å²	48.4	38%	0.38	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-37.4	177.4	177.2	-88.4	0	0	0	112.5	E569 L571 N577	E569-H573 VanDerWaalsContact O-CB 3.31Å; E569-H573 WeakPolarHBondContact O-CB 3.32Å; E569-H573 PolarHBondContact O-N 3.03Å; L571-H573 VanDerWaalsContact C-N 3.33Å; L571-H573 PolarHBondContact O-N 3.37Å; H573-N577 PolarHBondContact CE1-ND2 3.28Å; H573-N577 PolarHBondContact ND1-ND2 2.85Å; H573-N577 PolarHBondContact NE2-ND2 3.17Å; H573-N577 VanDerWaalsContact NE2-ND2 3.11Å; H573-N577 WeakPolarHBondContact O-CB 3.42Å; H573-N577 PolarHBondContact O-N 2.77Å; H573-N577 PolarHBondContact O-ND2 2.82Å
574	R	96	Very high	94.7	Very high	24 Å²	24	50.7 Å²	50.7	9%	0.091	26%	0.258	C	S	.	.	H	α-helix	trans	-72	-40.1	177.9	-70.8	-173.4	72.2	105.1	-6.4	112.4	Y398 D532 F570 L571 L572 N577 K578	Y398-R574 PolarHBondContact OH-NH1 3Å; Y398-R574 PolarHBondContact OH-NH2 3.22Å; D532-R574 HydrophobicContact CB-CB 4.4Å; D532-R574 IonicContact OD2-CZ 3.03Å; D532-R574 IonicContact OD2-NE 3.61Å; D532-R574 PolarHBondContact OD2-NE 3.44Å; D532-R574 IonicContact OD2-NH2 3.32Å; D532-R574 PolarHBondContact OD2-NH2 3.12Å; F570-R574 HydrophobicContact CE1-CG 4.22Å; F570-R574 WeakPolarHBondContact O-CG 3.49Å; F570-R574 PolarHBondContact O-N 3.19Å; L571-R574 PolarHBondContact O-N 3.42Å; L572-R574 VanDerWaalsContact C-N 3.26Å; L572-R574 PolarHBondContact O-N 2.88Å; R574-N577 PolarHBondContact O-N 2.79Å; R574-K578 WeakPolarHBondContact O-CB 3.47Å; R574-K578 WeakPolarHBondContact O-CG 3.48Å; R574-K578 PolarHBondContact O-N 2.77Å; R574-K578 VanDerWaalsContact O-N 3.14Å
575	I	96.8	Very high	94.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.9	-51.1	176.4	-63.6	-58.3	0	0	0	109.9	D532 I535 L536 I555 L571 L572 N577 K578 M579 V590	D532-I575 HydrophobicContact CB-CD1 4.36Å; I535-I575 HydrophobicContact CB-CD1 4.09Å; I535-I575 HydrophobicContact CD1-CD1 4.26Å; I535-I575 HydrophobicContact CG2-CD1 3.83Å; L536-I575 HydrophobicContact CD2-CD1 4.37Å; L536-I575 HydrophobicContact CD2-CG2 4.44Å; L536-I575 HydrophobicContact CG-CD1 4.47Å; I555-I575 HydrophobicContact CD1-CB 4.49Å; I555-I575 HydrophobicContact CD1-CG1 4.09Å; I555-I575 HydrophobicContact CD1-CG2 3.85Å; L571-I575 HydrophobicContact CD1-CD1 4.21Å; L571-I575 HydrophobicContact CD1-CG1 4.04Å; L571-I575 HydrophobicContact CG-CG1 4.26Å; L571-I575 WeakPolarHBondContact O-CG1 3.39Å; L571-I575 PolarHBondContact O-N 3.42Å; L572-I575 PolarHBondContact O-N 2.94Å; I575-N577 PolarHBondContact O-N 3Å; I575-K578 PolarHBondContact O-N 3.36Å; I575-K578 VanDerWaalsContact O-N 3.11Å; I575-M579 VanDerWaalsContact O-CB 3.31Å; I575-M579 WeakPolarHBondContact O-CB 3.42Å; I575-M579 PolarHBondContact O-N 2.84Å; I575-V590 HydrophobicContact CG2-CG1 3.99Å
576	I	94.9	Very high	93.4	Very high	49 Å²	49	58.6 Å²	58.6	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-57.2	-37.8	-179.6	-69.5	171.7	0	0	0	112.4	L572 M579 R584 V590	L572-I576 HydrophobicContact CD1-CD1 3.68Å; L572-I576 HydrophobicContact CD1-CG1 4.07Å; L572-I576 HydrophobicContact CG-CD1 3.86Å; L572-I576 WeakPolarHBondContact O-CG1 3.46Å; L572-I576 PolarHBondContact O-N 3.47Å; I576-M579 WeakPolarHBondContact O-CG 3.23Å; I576-R584 PolarHBondContact O-NH1 2.86Å; I576-V590 HydrophobicContact CG1-CB 4.17Å; I576-V590 HydrophobicContact CG1-CG1 4.33Å; I576-V590 HydrophobicContact CG1-CG2 4.45Å
577	N	93.6	Very high	92.8	Very high	85 Å²	85	58.6 Å²	58.6	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-81.2	-20.6	-178	-73.1	-40.5	0	0	0	114.2	H573 R574 I575	H573-N577 PolarHBondContact CE1-ND2 3.28Å; H573-N577 PolarHBondContact ND1-ND2 2.85Å; H573-N577 PolarHBondContact NE2-ND2 3.17Å; H573-N577 VanDerWaalsContact NE2-ND2 3.11Å; H573-N577 WeakPolarHBondContact O-CB 3.42Å; H573-N577 PolarHBondContact O-N 2.77Å; H573-N577 PolarHBondContact O-ND2 2.82Å; R574-N577 PolarHBondContact O-N 2.79Å; I575-N577 PolarHBondContact O-N 3Å
578	K	93.4	Very high	91.9	Very high	80 Å²	80	65.9 Å²	65.9	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-108.5	-11.5	-178.2	-68	-174.9	176	-173.8	0	113.9	D532 L536 R574 I575	D532-K578 IonicContact OD1-NZ 2.72Å; D532-K578 WeakPolarHBondContact OD2-CE 3.45Å; D532-K578 IonicContact OD2-NZ 3.27Å; D532-K578 PolarHBondContact OD2-NZ 3.16Å; L536-K578 HydrophobicContact CD1-CB 3.51Å; R574-K578 WeakPolarHBondContact O-CB 3.47Å; R574-K578 WeakPolarHBondContact O-CG 3.48Å; R574-K578 PolarHBondContact O-N 2.77Å; R574-K578 VanDerWaalsContact O-N 3.14Å; I575-K578 PolarHBondContact O-N 3.36Å; I575-K578 VanDerWaalsContact O-N 3.11Å
579	M	92	Very high	91.4	Very high	11 Å²	11	69.1 Å²	69.1	5%	0.054	34%	0.344	C	S	.	.	S	Bend	trans	-61.5	146.7	175.8	71.3	-172	-55.9	0	0	110.8	L536 Y552 I575 I576 F583 R584 V590	L536-M579 HydrophobicContact CD2-CB 4.37Å; Y552-M579 HydrophobicContact CD1-CE 4.38Å; Y552-M579 HydrophobicContact CE1-CB 4.15Å; I575-M579 VanDerWaalsContact O-CB 3.31Å; I575-M579 WeakPolarHBondContact O-CB 3.42Å; I575-M579 PolarHBondContact O-N 2.84Å; I576-M579 WeakPolarHBondContact O-CG 3.23Å; M579-F583 HydrophobicContact CE-CB 4.42Å; M579-R584 VanDerWaalsContact CE-CA 3.45Å; M579-R584 HydrophobicContact CE-CB 3.96Å; M579-R584 HydrophobicContact CE-CG 4.43Å; M579-R584 HydrophobicContact CG-CB 3.84Å; M579-R584 HydrophobicContact CG-CG 4.19Å; M579-R584 HydrophobicContact SD-CB 3.65Å; M579-R584 HydrophobicContact SD-CG 3.62Å; M579-V590 HydrophobicContact CE-CG2 3.83Å; M579-V590 HydrophobicContact SD-CG2 4.11Å
580	P	91.5	Very high	91.3	Very high	46 Å²	46	64.9 Å²	64.9	30%	0.299	33%	0.325	S	S	.	.			trans	-56.8	134.4	175.7	-25.1	34.4	0	0	0	112	Y552 S582 F583 R584	Y552-P580 WeakPolarHBondContact OH-CD 3.36Å; P580-S582 PolarHBondContact O-N 3.33Å; P580-S582 VanDerWaalsContact O-N 3.1Å; P580-F583 HydrophobicContact CB-CD2 4.26Å; P580-F583 HydrophobicContact CG-CD2 4.43Å; P580-F583 PolarHBondContact O-N 2.9Å; P580-F583 VanDerWaalsContact O-N 3.08Å; P580-R584 PolarHBondContact O-N 3.22Å
581	P	89.6	Confident	91.2	Very high	96 Å²	96	70 Å²	70	62%	0.623	35%	0.349	S	S	*	.	H	α-helix	trans	-60.2	-22.1	-178.9	-25.8	34.2	0	0	0	115	R585	P581-R585 PolarHBondContact O-NE 3.28Å
582	S	89.6	Confident	91.2	Very high	68 Å²	68	70 Å²	70	48%	0.476	35%	0.35	S	S	.	.	H	α-helix	trans	-64.1	-49.6	172.6	48.2	0	0	0	0	111.5	P580	P580-S582 PolarHBondContact O-N 3.33Å; P580-S582 VanDerWaalsContact O-N 3.1Å
583	F	87.9	Confident	91.2	Very high	15 Å²	15	68.7 Å²	68.7	7%	0.066	34%	0.343	C	S	.	.	H	α-helix	trans	-74.4	-31.8	178	-75.9	-76.4	0	0	0	112.7	D545 K548 R549 Y552 M579 P580 R585 L586 V587	D545-F583 HydrophobicContact CB-CE1 4.29Å; D545-F583 HydrophobicContact CB-CZ 4.21Å; K548-F583 HydrophobicContact CB-CD1 4.41Å; K548-F583 HydrophobicContact CB-CE1 3.65Å; K548-F583 HydrophobicContact CB-CZ 3.77Å; K548-F583 HydrophobicContact CD-CE1 4.35Å; K548-F583 HydrophobicContact CD-CE2 4.02Å; K548-F583 HydrophobicContact CD-CZ 3.57Å; K548-F583 HydrophobicContact CG-CZ 4.29Å; R549-F583 HydrophobicContact CG-CD1 4.13Å; R549-F583 HydrophobicContact CG-CE1 4.18Å; Y552-F583 HydrophobicContact CD2-CB 4.1Å; Y552-F583 HydrophobicContact CD2-CD1 4.17Å; Y552-F583 HydrophobicContact CD2-CG 4.09Å; Y552-F583 HydrophobicContact CE2-CB 4.06Å; Y552-F583 HydrophobicContact CE2-CD1 4.3Å; Y552-F583 HydrophobicContact CE2-CD2 4.11Å; Y552-F583 AromaticContact CE2-CG 3.89Å; Y552-F583 HydrophobicContact CE2-CG 3.89Å; M579-F583 HydrophobicContact CE-CB 4.42Å; P580-F583 HydrophobicContact CB-CD2 4.26Å; P580-F583 HydrophobicContact CG-CD2 4.43Å; P580-F583 PolarHBondContact O-N 2.9Å; P580-F583 VanDerWaalsContact O-N 3.08Å; F583-R585 PolarHBondContact O-N 3.33Å; F583-L586 PolarHBondContact O-N 2.88Å; F583-V587 WeakPolarHBondContact O-CG2 3.4Å; F583-V587 PolarHBondContact O-N 3.32Å
584	R	87.2	Confident	91.2	Very high	124 Å²	124	66 Å²	66	47%	0.468	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-30.2	177.6	-170.7	166.7	174.7	170	-4	113.9	I576 M579 P580	I576-R584 PolarHBondContact O-NH1 2.86Å; M579-R584 VanDerWaalsContact CE-CA 3.45Å; M579-R584 HydrophobicContact CE-CB 3.96Å; M579-R584 HydrophobicContact CE-CG 4.43Å; M579-R584 HydrophobicContact CG-CB 3.84Å; M579-R584 HydrophobicContact CG-CG 4.19Å; M579-R584 HydrophobicContact SD-CB 3.65Å; M579-R584 HydrophobicContact SD-CG 3.62Å; P580-R584 PolarHBondContact O-N 3.22Å
585	R	85.4	Confident	91.2	Very high	212 Å²	212	71.7 Å²	71.7	80%	0.8	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-16	177.3	-70.7	-177.7	-72.8	171.4	-0.3	113.4	P581 F583	P581-R585 PolarHBondContact O-NE 3.28Å; F583-R585 PolarHBondContact O-N 3.33Å
586	L	84.8	Confident	90.9	Very high	89 Å²	89	72.2 Å²	72.2	47%	0.466	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-21.8	-169.9	-169.2	64	0	0	0	112.8	R549 F583	R549-L586 HydrophobicContact CG-CD2 4.09Å; R549-L586 HydrophobicContact CG-CG 4.34Å; F583-L586 PolarHBondContact O-N 2.88Å
587	V	83.9	Confident	90.7	Very high	16 Å²	16	77.5 Å²	77.5	10%	0.097	38%	0.378	C	S	.	.			trans	-95.8	111.4	175	178.7	0	0	0	0	107.6	R549 F583 N589 V590	R549-V587 HydrophobicContact CB-CG2 4.29Å; R549-V587 HydrophobicContact CG-CG2 4.2Å; F583-V587 WeakPolarHBondContact O-CG2 3.4Å; F583-V587 PolarHBondContact O-N 3.32Å; V587-N589 VanDerWaalsContact C-N 3.35Å; V587-N589 WeakPolarHBondContact CG1-O 3.32Å; V587-N589 PolarHBondContact O-N 3.39Å; V587-V590 HydrophobicContact CG1-CG2 3.99Å
588	D	79.5	Confident	90.6	Very high	156 Å²	156	79.9 Å²	79.9	83%	0.834	39%	0.391	S	S	*	.	S	Bend	trans	-61.7	-43.6	-175.9	-62.3	-40.1	0	0	0	111.8
589	N	87.9	Confident	90.6	Very high	133 Å²	133	77.4 Å²	77.4	71%	0.711	38%	0.381	S	S	*	.			trans	-140.1	125	177.5	-81.6	-25.6	0	0	0	110.9	S553 V587	S553-N589 WeakPolarHBondContact CA-O 3.15Å; S553-N589 PolarHBondContact OG-O 3.28Å; V587-N589 VanDerWaalsContact C-N 3.35Å; V587-N589 WeakPolarHBondContact CG1-O 3.32Å; V587-N589 PolarHBondContact O-N 3.39Å
590	V	94.4	Very high	90.8	Very high	23 Å²	23	78.9 Å²	78.9	14%	0.139	39%	0.389	C	S	.	.			trans	-89.2	122.5	166.3	174.3	0	0	0	0	107.2	Y552 L572 I575 I576 M579 V587	Y552-V590 WeakPolarHBondContact O-CG1 3.3Å; L572-V590 HydrophobicContact CD1-CB 4.11Å; L572-V590 HydrophobicContact CD1-CG1 3.67Å; L572-V590 WeakPolarHBondContact CD1-O 3.28Å; I575-V590 HydrophobicContact CG2-CG1 3.99Å; I576-V590 HydrophobicContact CG1-CB 4.17Å; I576-V590 HydrophobicContact CG1-CG1 4.33Å; I576-V590 HydrophobicContact CG1-CG2 4.45Å; M579-V590 HydrophobicContact CE-CG2 3.83Å; M579-V590 HydrophobicContact SD-CG2 4.11Å; V587-V590 HydrophobicContact CG1-CG2 3.99Å
591	E	95.8	Very high	91.1	Very high	112 Å²	112	77.1 Å²	77.1	52%	0.523	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.7	176.7	-163.8	-179.7	176.3	0	0	110.6	S553 I555 I593	S553-E591 VanDerWaalsContact O-CB 3.29Å; S553-E591 WeakPolarHBondContact O-CB 3.33Å; S553-E591 PolarHBondContact O-N 2.93Å; I555-E591 PolarHBondContact N-O 2.77Å; E591-I593 HydrophobicContact CG-CD1 4.46Å; E591-I593 HydrophobicContact CG-CG1 3.82Å
592	V	98	Very high	91.5	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.012	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.2	167.4	175.6	0	0	0	0	107.1	I555 V557 Q568 L571 L572 T594	I555-V592 HydrophobicContact CB-CG2 4.3Å; I555-V592 HydrophobicContact CD1-CG2 4.42Å; I555-V592 CarbonylContact O-C 3.57Å; I555-V592 WeakPolarHBondContact O-CA 3.29Å; V557-V592 HydrophobicContact CG2-CG1 3.89Å; Q568-V592 HydrophobicContact CG-CB 4.32Å; Q568-V592 HydrophobicContact CG-CG1 4.24Å; Q568-V592 WeakPolarHBondContact CG-O 3.45Å; Q568-V592 PolarHBondContact OE1-O 3.39Å; L571-V592 HydrophobicContact CB-CG1 4.38Å; L571-V592 HydrophobicContact CD2-CG1 3.86Å; L571-V592 HydrophobicContact CG-CG1 4.29Å; L571-V592 HydrophobicContact CG-CG2 4.3Å; L572-V592 HydrophobicContact CB-CB 4.27Å; L572-V592 HydrophobicContact CB-CG2 3.91Å; L572-V592 HydrophobicContact CD1-CG2 4.12Å; V592-T594 HydrophobicContact CG1-CG2 4.34Å
593	I	97.9	Very high	91.9	Very high	20 Å²	20	74.7 Å²	74.7	10%	0.103	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110.6	-175.2	-56	166.3	0	0	0	107.8	L280 I555 L556 V557 E591 P596	L280-I593 HydrophobicContact CD1-CD1 3.87Å; L280-I593 HydrophobicContact CD2-CD1 4.32Å; I555-I593 PolarHBondContact O-N 2.97Å; L556-I593 HydrophobicContact CD1-CB 4.29Å; L556-I593 HydrophobicContact CD1-CG2 4.12Å; V557-I593 PolarHBondContact N-O 3.13Å; E591-I593 HydrophobicContact CG-CD1 4.46Å; E591-I593 HydrophobicContact CG-CG1 3.82Å; I593-P596 HydrophobicContact CG2-CB 3.89Å; I593-P596 HydrophobicContact CG2-CG 4.4Å
594	T	96	Very high	92.4	Very high	25 Å²	25	74 Å²	74	15%	0.153	34%	0.343	C	S	.	.	S	Bend	trans	-100.6	-34.9	177.5	60.5	0	0	0	0	113	V557 Q568 V592 P596 P601	V557-T594 HydrophobicContact CB-CG2 4.13Å; V557-T594 HydrophobicContact CG2-CG2 4.45Å; Q568-T594 HydrophobicContact CB-CG2 3.72Å; Q568-T594 HydrophobicContact CG-CG2 4.05Å; Q568-T594 VanDerWaalsContact OE1-N 3.14Å; Q568-T594 PolarHBondContact OE1-OG1 3.25Å; V592-T594 HydrophobicContact CG1-CG2 4.34Å; T594-P596 WeakPolarHBondContact O-CD 3.22Å; T594-P601 VanDerWaalsContact O-CG 3.31Å; T594-P601 WeakPolarHBondContact O-CG 3.27Å
595	R	94	Very high	92.9	Very high	143 Å²	143	68.3 Å²	68.3	54%	0.54	32%	0.322	S	S	.	.	S	Bend	trans	-124.6	70.5	-179	-65.4	-172.5	179.9	-174.8	1.5	110.9	K597 D598 P601	R595-K597 PolarHBondContact O-N 3.38Å; R595-D598 PolarHBondContact O-N 3.21Å; R595-P601 HydrophobicContact CG-CG 4.27Å
596	P	91.3	Very high	93.5	Very high	12 Å²	12	58.3 Å²	58.3	8%	0.078	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-59.7	129.6	175.6	27.7	-34.1	0	0	0	109.5	L556 I593 T594 D598 M599 I604	L556-P596 HydrophobicContact CD1-CG 3.95Å; I593-P596 HydrophobicContact CG2-CB 3.89Å; I593-P596 HydrophobicContact CG2-CG 4.4Å; T594-P596 WeakPolarHBondContact O-CD 3.22Å; P596-D598 PolarHBondContact O-N 3.01Å; P596-D598 VanDerWaalsContact O-N 3.16Å; P596-M599 WeakPolarHBondContact O-CB 3.38Å; P596-M599 PolarHBondContact O-N 3.35Å; P596-I604 HydrophobicContact CG-CD1 3.44Å; P596-I604 VanDerWaalsContact CG-CD1 3.44Å; P596-I604 HydrophobicContact CG-CG1 4.21Å
597	K	90.8	Very high	94.1	Very high	160 Å²	160	57 Å²	57	70%	0.696	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	54.7	30.7	-179.2	-54	175.2	-177.6	172.8	0	113.6	S278 R595 M599	S278-K597 WeakPolarHBondContact O-CE 3.28Å; R595-K597 PolarHBondContact O-N 3.38Å; K597-M599 HydrophobicContact CB-CG 4.35Å; K597-M599 PolarHBondContact O-N 2.77Å; K597-M599 VanDerWaalsContact O-N 3.13Å
598	D	91.7	Very high	94.8	Very high	134 Å²	134	56.2 Å²	56.2	72%	0.717	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	54	27.5	-175.5	-160.7	36.1	0	0	0	114.1	R595 P596	R595-D598 PolarHBondContact O-N 3.21Å; P596-D598 PolarHBondContact O-N 3.01Å; P596-D598 VanDerWaalsContact O-N 3.16Å
599	M	93.3	Very high	95.7	Very high	29 Å²	29	48.8 Å²	48.8	14%	0.143	23%	0.231	C	C	.	.			trans	-84.3	149.7	177.8	-68.5	-175.6	17.8	0	0	112	P596 K597 P601 I604 K607	P596-M599 WeakPolarHBondContact O-CB 3.38Å; P596-M599 PolarHBondContact O-N 3.35Å; K597-M599 HydrophobicContact CB-CG 4.35Å; K597-M599 PolarHBondContact O-N 2.77Å; K597-M599 VanDerWaalsContact O-N 3.13Å; M599-P601 WeakPolarHBondContact O-CD 3.3Å; M599-I604 HydrophobicContact CE-CG1 4.25Å; M599-K607 HydrophobicContact CE-CB 4.08Å; M599-K607 HydrophobicContact CE-CD 3.37Å; M599-K607 HydrophobicContact CE-CG 3.83Å; M599-K607 HydrophobicContact SD-CD 3.95Å
600	D	96.6	Very high	96.1	Very high	42 Å²	42	42.9 Å²	42.9	23%	0.225	20%	0.201	C	C	.	.			trans	-59.5	120.9	170.7	-176.7	-17.4	0	0	0	110.5	R602 L603	D600-R602 PolarHBondContact O-N 3.45Å; D600-R602 VanDerWaalsContact OD1-CB 3.24Å; D600-R602 WeakPolarHBondContact OD1-CB 3.39Å; D600-R602 WeakPolarHBondContact OD1-CG 3.12Å; D600-R602 IonicContact OD1-CZ 3.76Å; D600-R602 PolarHBondContact OD1-N 3.46Å; D600-R602 IonicContact OD1-NE 3.28Å; D600-R602 PolarHBondContact OD1-NE 3.38Å; D600-R602 IonicContact OD1-NH2 2.76Å; D600-R602 IonicContact OD2-CZ 3.61Å; D600-R602 IonicContact OD2-NE 3.94Å; D600-R602 PolarHBondContact OD2-NE 2.71Å; D600-R602 IonicContact OD2-NH2 3.96Å; D600-R602 PolarHBondContact OD2-NH2 2.83Å; D600-L603 HydrophobicContact CB-CD1 3.96Å; D600-L603 HydrophobicContact CB-CG 3.95Å; D600-L603 PolarHBondContact O-N 3.19Å
601	P	97.5	Very high	96.2	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.058	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.7	-178.4	-24	33.5	0	0	0	113.9	G559 M563 T594 R595 M599 L603 I604	G559-P601 PolarHBondContact N-O 3.02Å; G559-P601 WeakPolarHBondContact O-CB 3.29Å; M563-P601 HydrophobicContact CG-CG 4.28Å; T594-P601 VanDerWaalsContact O-CG 3.31Å; T594-P601 WeakPolarHBondContact O-CG 3.27Å; R595-P601 HydrophobicContact CG-CG 4.27Å; M599-P601 WeakPolarHBondContact O-CD 3.3Å; P601-L603 PolarHBondContact O-N 3Å; P601-I604 HydrophobicContact CB-CD1 4.4Å
602	R	97.5	Very high	96.1	Very high	104 Å²	104	39.6 Å²	39.6	39%	0.392	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.5	177.6	-63.6	174.6	-63.6	-176.9	2.7	112.7	R63 M563 D600	R63-R602 WeakPolarHBondContact CD-O 3.42Å; R63-R602 PolarHBondContact NE-O 2.94Å; M563-R602 HydrophobicContact SD-CG 3.77Å; D600-R602 PolarHBondContact O-N 3.45Å; D600-R602 VanDerWaalsContact OD1-CB 3.24Å; D600-R602 WeakPolarHBondContact OD1-CB 3.39Å; D600-R602 WeakPolarHBondContact OD1-CG 3.12Å; D600-R602 IonicContact OD1-CZ 3.76Å; D600-R602 PolarHBondContact OD1-N 3.46Å; D600-R602 IonicContact OD1-NE 3.28Å; D600-R602 PolarHBondContact OD1-NE 3.38Å; D600-R602 IonicContact OD1-NH2 2.76Å; D600-R602 IonicContact OD2-CZ 3.61Å; D600-R602 IonicContact OD2-NE 3.94Å; D600-R602 PolarHBondContact OD2-NE 2.71Å; D600-R602 IonicContact OD2-NH2 3.96Å; D600-R602 PolarHBondContact OD2-NH2 2.83Å
603	L	97.8	Very high	95.9	Very high	9 Å²	9	40 Å²	40	5%	0.047	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-13.2	-170.5	-52.4	-176.3	0	0	0	113.4	L71 P72 I74 D600 P601 S605 W606 K607	L71-L603 HydrophobicContact CD2-CD1 3.61Å; P72-L603 HydrophobicContact CG-CD2 3.84Å; I74-L603 HydrophobicContact CD1-CD2 3.58Å; I74-L603 HydrophobicContact CG1-CD2 4.39Å; D600-L603 HydrophobicContact CB-CD1 3.96Å; D600-L603 HydrophobicContact CB-CG 3.95Å; D600-L603 PolarHBondContact O-N 3.19Å; P601-L603 PolarHBondContact O-N 3Å; L603-S605 PolarHBondContact O-N 2.95Å; L603-W606 PolarHBondContact O-N 3.28Å; L603-W606 VanDerWaalsContact O-N 3.12Å; L603-K607 WeakPolarHBondContact O-CG 3.31Å; L603-K607 PolarHBondContact O-N 3.36Å
604	I	98.3	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-52.5	-170.1	-61.8	170.2	0	0	0	111.4	A274 V558 P596 M599 P601 W606 K607 G608	A274-I604 HydrophobicContact CB-CG2 4.44Å; A274-I604 VanDerWaalsContact O-CG2 3.28Å; A274-I604 WeakPolarHBondContact O-CG2 3.24Å; V558-I604 HydrophobicContact CB-CD1 4.31Å; V558-I604 HydrophobicContact CG1-CB 4.1Å; V558-I604 HydrophobicContact CG1-CD1 3.65Å; V558-I604 HydrophobicContact CG1-CG1 4.48Å; V558-I604 HydrophobicContact CG1-CG2 4.11Å; P596-I604 HydrophobicContact CG-CD1 3.44Å; P596-I604 VanDerWaalsContact CG-CD1 3.44Å; P596-I604 HydrophobicContact CG-CG1 4.21Å; M599-I604 HydrophobicContact CE-CG1 4.25Å; P601-I604 HydrophobicContact CB-CD1 4.4Å; I604-W606 VanDerWaalsContact C-N 3.33Å; I604-W606 PolarHBondContact O-N 2.9Å; I604-K607 PolarHBondContact O-N 2.87Å; I604-G608 PolarHBondContact O-N 3.34Å
605	S	98.2	Very high	95.2	Very high	5 Å²	5	44.7 Å²	44.7	4%	0.035	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-40.7	179.7	-52	0	0	0	0	112.2	L239 E270 C273 L603 K607 G608 G609	L239-S605 WeakPolarHBondContact CD2-O 3.3Å; E270-S605 PolarHBondContact O-OG 3.21Å; C273-S605 WeakPolarHBondContact CB-O 3.42Å; L603-S605 PolarHBondContact O-N 2.95Å; S605-K607 PolarHBondContact O-N 3.43Å; S605-G608 PolarHBondContact O-N 3.06Å; S605-G609 PolarHBondContact O-N 2.88Å
606	W	98.6	Very high	94.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-43.5	177	-179.6	90.8	0	0	0	111.3	V54 H56 R63 R66 D69 P72 L603 I604 G608 G609 A610	V54-W606 HydrophobicContact CB-CZ2 4.27Å; V54-W606 HydrophobicContact CG1-CG 4.26Å; V54-W606 PolarHBondContact O-NE1 3.46Å; H56-W606 HydrophobicContact CB-CB 4.2Å; H56-W606 HydrophobicContact CB-CG 4.48Å; R63-W606 HydrophobicContact CB-CB 4.42Å; R63-W606 HydrophobicContact CB-CG 4.28Å; R66-W606 WeakPolarHBondContact O-CH2 3.48Å; R66-W606 WeakPolarHBondContact O-CZ2 3.44Å; D69-W606 HydrophobicContact CB-CH2 4.14Å; D69-W606 WeakPolarHBondContact O-CH2 3.47Å; P72-W606 HydrophobicContact CB-CD2 3.62Å; P72-W606 HydrophobicContact CB-CE3 4Å; P72-W606 HydrophobicContact CB-CG 4.06Å; P72-W606 HydrophobicContact CB-CH2 4.25Å; P72-W606 HydrophobicContact CB-CZ2 3.88Å; P72-W606 HydrophobicContact CB-CZ3 4.3Å; P72-W606 HydrophobicContact CG-CD2 3.73Å; P72-W606 HydrophobicContact CG-CE3 3.8Å; P72-W606 HydrophobicContact CG-CG 4.07Å; P72-W606 HydrophobicContact CG-CZ3 4.31Å; L603-W606 PolarHBondContact O-N 3.28Å; L603-W606 VanDerWaalsContact O-N 3.12Å; I604-W606 VanDerWaalsContact C-N 3.33Å; I604-W606 PolarHBondContact O-N 2.9Å; W606-G608 VanDerWaalsContact C-N 3.28Å; W606-G608 PolarHBondContact O-N 3Å; W606-G609 WeakPolarHBondContact O-CA 3.41Å; W606-G609 PolarHBondContact O-N 3.06Å; W606-G609 VanDerWaalsContact O-N 3.07Å; W606-A610 PolarHBondContact O-N 3.02Å
607	K	98.1	Very high	94.7	Very high	60 Å²	60	48.3 Å²	48.3	26%	0.261	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-37.7	174.9	-68.1	-140.5	-164.9	172.7	0	111.9	M599 L603 I604 S605 G609 A610 V611	M599-K607 HydrophobicContact CE-CB 4.08Å; M599-K607 HydrophobicContact CE-CD 3.37Å; M599-K607 HydrophobicContact CE-CG 3.83Å; M599-K607 HydrophobicContact SD-CD 3.95Å; L603-K607 WeakPolarHBondContact O-CG 3.31Å; L603-K607 PolarHBondContact O-N 3.36Å; I604-K607 PolarHBondContact O-N 2.87Å; S605-K607 PolarHBondContact O-N 3.43Å; K607-G609 VanDerWaalsContact C-N 3.32Å; K607-A610 CarbonylContact O-C 3.58Å; K607-A610 WeakPolarHBondContact O-CA 3.18Å; K607-A610 WeakPolarHBondContact O-CB 3.45Å; K607-A610 PolarHBondContact O-N 3.22Å; K607-A610 VanDerWaalsContact O-N 3.13Å; K607-V611 WeakPolarHBondContact O-CG2 3.33Å; K607-V611 PolarHBondContact O-N 3.11Å
608	G	97.8	Very high	94.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.1	-29.6	174.4	0	0	0	0	0	114.2	C273 G277 I604 S605 W606 A610 V611 L612	C273-G608 VanDerWaalsContact O-CA 3.25Å; C273-G608 WeakPolarHBondContact O-CA 3.41Å; G277-G608 VanDerWaalsContact N-CA 3.33Å; I604-G608 PolarHBondContact O-N 3.34Å; S605-G608 PolarHBondContact O-N 3.06Å; W606-G608 VanDerWaalsContact C-N 3.28Å; W606-G608 PolarHBondContact O-N 3Å; G608-A610 VanDerWaalsContact C-N 3.32Å; G608-V611 PolarHBondContact O-N 3.5Å; G608-L612 WeakPolarHBondContact O-CB 3.46Å; G608-L612 PolarHBondContact O-N 3.14Å
609	G	97.5	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-38.3	166.2	0	0	0	0	0	112.4	I237 S605 W606 K607 L612 A613	I237-G609 VanDerWaalsContact CD1-O 3.24Å; I237-G609 WeakPolarHBondContact CD1-O 3.35Å; S605-G609 PolarHBondContact O-N 2.88Å; W606-G609 WeakPolarHBondContact O-CA 3.41Å; W606-G609 PolarHBondContact O-N 3.06Å; W606-G609 VanDerWaalsContact O-N 3.07Å; K607-G609 VanDerWaalsContact C-N 3.32Å; G609-L612 WeakPolarHBondContact O-CB 3.4Å; G609-L612 PolarHBondContact O-N 3.41Å; G609-A613 PolarHBondContact O-N 3.1Å
610	A	97.2	Very high	94.1	Very high	10 Å²	10	45 Å²	45	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-40.6	173.4	0	0	0	0	0	112.6	V54 A67 W606 K607 G608 L612 A613	V54-A610 HydrophobicContact CG2-CB 4.23Å; A67-A610 HydrophobicContact CB-CB 4.14Å; W606-A610 PolarHBondContact O-N 3.02Å; K607-A610 CarbonylContact O-C 3.58Å; K607-A610 WeakPolarHBondContact O-CA 3.18Å; K607-A610 WeakPolarHBondContact O-CB 3.45Å; K607-A610 PolarHBondContact O-N 3.22Å; K607-A610 VanDerWaalsContact O-N 3.13Å; G608-A610 VanDerWaalsContact C-N 3.32Å; A610-L612 VanDerWaalsContact C-N 3.33Å; A610-L612 PolarHBondContact O-N 3.19Å; A610-A613 VanDerWaalsContact O-CB 3.27Å; A610-A613 WeakPolarHBondContact O-CB 3.15Å; A610-A613 PolarHBondContact O-N 2.8Å
611	V	95.9	Very high	94	Very high	65 Å²	65	44.3 Å²	44.3	39%	0.394	23%	0.232	S	C	.	.	H	α-helix	trans	-62.1	-41.9	173.1	171.4	0	0	0	0	110.9	F276 K607 G608 A613 C614 L615	F276-V611 HydrophobicContact CB-CG1 4.45Å; K607-V611 WeakPolarHBondContact O-CG2 3.33Å; K607-V611 PolarHBondContact O-N 3.11Å; G608-V611 PolarHBondContact O-N 3.5Å; V611-A613 PolarHBondContact O-N 3.02Å; V611-C614 WeakPolarHBondContact O-CB 3.5Å; V611-C614 PolarHBondContact O-N 3.08Å; V611-L615 HydrophobicContact CG1-CD2 4.39Å
612	L	95	Very high	93.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-37.9	175.6	177.1	64.5	0	0	0	111.5	I237 I266 H268 F276 G608 G609 A610 C614 L615 T618 M621	I237-L612 HydrophobicContact CD1-CB 4.46Å; I237-L612 HydrophobicContact CD1-CD2 4.5Å; I237-L612 HydrophobicContact CD1-CG 4.4Å; I237-L612 HydrophobicContact CG2-CD2 4.13Å; I266-L612 HydrophobicContact CG2-CD2 4.01Å; H268-L612 HydrophobicContact CB-CD2 3.78Å; F276-L612 HydrophobicContact CD2-CB 4.36Å; F276-L612 HydrophobicContact CE2-CD1 4.02Å; G608-L612 WeakPolarHBondContact O-CB 3.46Å; G608-L612 PolarHBondContact O-N 3.14Å; G609-L612 WeakPolarHBondContact O-CB 3.4Å; G609-L612 PolarHBondContact O-N 3.41Å; A610-L612 VanDerWaalsContact C-N 3.33Å; A610-L612 PolarHBondContact O-N 3.19Å; L612-C614 PolarHBondContact O-N 3.2Å; L612-L615 HydrophobicContact CD1-CD1 4.05Å; L612-L615 PolarHBondContact O-N 2.93Å; L612-T618 WeakPolarHBondContact O-CB 3.41Å; L612-T618 VanDerWaalsContact O-CG2 3.28Å; L612-T618 WeakPolarHBondContact O-CG2 3.32Å; L612-T618 PolarHBondContact O-OG1 2.95Å; L612-M621 HydrophobicContact CD1-CE 3.84Å
613	A	93.1	Very high	94	Very high	10 Å²	10	39.1 Å²	39.1	8%	0.083	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-21.4	176.9	0	0	0	0	0	114	V52 A67 I237 G609 A610 V611	V52-A613 HydrophobicContact CB-CB 4.29Å; V52-A613 HydrophobicContact CG1-CB 3.9Å; V52-A613 HydrophobicContact CG2-CB 4.45Å; A67-A613 HydrophobicContact CB-CB 3.72Å; I237-A613 HydrophobicContact CD1-CB 3.62Å; G609-A613 PolarHBondContact O-N 3.1Å; A610-A613 VanDerWaalsContact O-CB 3.27Å; A610-A613 WeakPolarHBondContact O-CB 3.15Å; A610-A613 PolarHBondContact O-N 2.8Å; V611-A613 PolarHBondContact O-N 3.02Å
614	C	89.8	Confident	93.9	Very high	84 Å²	84	42 Å²	42	57%	0.568	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-2.8	-174.8	-53.6	0	0	0	0	113.7	V611 L612	V611-C614 WeakPolarHBondContact O-CB 3.5Å; V611-C614 PolarHBondContact O-N 3.08Å; L612-C614 PolarHBondContact O-N 3.2Å
615	L	90.4	Very high	93.8	Very high	60 Å²	60	45.3 Å²	45.3	31%	0.314	24%	0.24	S	C	.	.			trans	-79.5	144.1	179.6	-55.1	179.8	0	0	0	111.1	F276 V611 L612 T617 T618	F276-L615 HydrophobicContact CE2-CD1 4.47Å; F276-L615 HydrophobicContact CZ-CD1 4.4Å; V611-L615 HydrophobicContact CG1-CD2 4.39Å; L612-L615 HydrophobicContact CD1-CD1 4.05Å; L612-L615 PolarHBondContact O-N 2.93Å; L615-T617 VanDerWaalsContact C-N 3.32Å; L615-T617 PolarHBondContact O-N 3Å; L615-T618 WeakPolarHBondContact O-CB 3.31Å; L615-T618 PolarHBondContact O-N 3.27Å; L615-T618 VanDerWaalsContact O-N 3.16Å; L615-T618 PolarHBondContact O-OG1 2.72Å
616	D	86.8	Confident	93.7	Very high	139 Å²	139	55.1 Å²	55.1	74%	0.743	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-64	-37.7	179.4	-67.5	-31.1	0	0	0	112.2	T618 Q619	D616-T618 PolarHBondContact O-N 3.03Å; D616-T618 VanDerWaalsContact O-N 3.16Å; D616-Q619 WeakPolarHBondContact O-CG 3.38Å; D616-Q619 PolarHBondContact O-N 2.94Å
617	T	87.1	Confident	93.7	Very high	91 Å²	91	57.1 Å²	57.1	56%	0.558	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.5	177.6	52.9	0	0	0	0	113.2	L615 Q619 E620	L615-T617 VanDerWaalsContact C-N 3.32Å; L615-T617 PolarHBondContact O-N 3Å; T617-Q619 PolarHBondContact O-N 3.27Å; T617-E620 PolarHBondContact O-N 3.18Å
618	T	88.9	Confident	93.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.4	-22.9	179.9	-58.6	0	0	0	0	112.9	I266 L612 L615 D616 E620 M621 W622	I266-T618 HydrophobicContact CD1-CG2 3.19Å; L612-T618 WeakPolarHBondContact O-CB 3.41Å; L612-T618 VanDerWaalsContact O-CG2 3.28Å; L612-T618 WeakPolarHBondContact O-CG2 3.32Å; L612-T618 PolarHBondContact O-OG1 2.95Å; L615-T618 WeakPolarHBondContact O-CB 3.31Å; L615-T618 PolarHBondContact O-N 3.27Å; L615-T618 VanDerWaalsContact O-N 3.16Å; L615-T618 PolarHBondContact O-OG1 2.72Å; D616-T618 PolarHBondContact O-N 3.03Å; D616-T618 VanDerWaalsContact O-N 3.16Å; T618-E620 PolarHBondContact O-N 2.9Å; T618-M621 VanDerWaalsContact CA-CE 3.47Å; T618-M621 PolarHBondContact O-N 3.43Å; T618-M621 VanDerWaalsContact O-N 3.13Å; T618-W622 HydrophobicContact CG2-CZ2 4.17Å; T618-W622 PolarHBondContact O-NE1 2.95Å
619	Q	86.8	Confident	93.5	Very high	91 Å²	91	61.4 Å²	61.4	43%	0.425	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-59.8	-32.5	179.6	-62.6	-174.3	16.4	0	0	112.5	I47 D616 T617	I47-Q619 HydrophobicContact CD1-CG 4.5Å; D616-Q619 WeakPolarHBondContact O-CG 3.38Å; D616-Q619 PolarHBondContact O-N 2.94Å; T617-Q619 PolarHBondContact O-N 3.27Å
620	E	88.4	Confident	93.4	Very high	161 Å²	161	70.9 Å²	70.9	75%	0.752	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-84.6	-13.6	-178.6	-60	-179.4	173.2	0	0	113.4	T617 T618	T617-E620 PolarHBondContact O-N 3.18Å; T618-E620 PolarHBondContact O-N 2.9Å
621	M	93.8	Very high	93.3	Very high	27 Å²	27	74.4 Å²	74.4	13%	0.133	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15.3	-172.7	-59.3	-168.2	-121.5	0	0	113.9	I266 L612 T618 I623 A641	I266-M621 HydrophobicContact CD1-CB 3.77Å; I266-M621 HydrophobicContact CG1-CB 3.89Å; L612-M621 HydrophobicContact CD1-CE 3.84Å; T618-M621 VanDerWaalsContact CA-CE 3.47Å; T618-M621 PolarHBondContact O-N 3.43Å; T618-M621 VanDerWaalsContact O-N 3.13Å; M621-I623 PolarHBondContact O-N 3.42Å; M621-A641 HydrophobicContact SD-CB 3.56Å; M621-A641 VanDerWaalsContact SD-CB 3.56Å
622	W	96.1	Very high	93.2	Very high	2 Å²	2	72.2 Å²	72.2	1%	0.008	35%	0.347	C	S	.	.			trans	-65.1	126	-176.3	-68.2	102.7	0	0	0	111.5	I47 V52 R235 C236 I237 A264 I266 T618 R639	I47-W622 VanDerWaalsContact CD1-NE1 3.26Å; V52-W622 HydrophobicContact CG1-CH2 3.89Å; V52-W622 HydrophobicContact CG2-CH2 4.15Å; V52-W622 HydrophobicContact CG2-CZ2 4.27Å; R235-W622 HydrophobicContact CB-CE3 3.89Å; R235-W622 HydrophobicContact CB-CH2 3.69Å; R235-W622 HydrophobicContact CB-CZ2 4.46Å; R235-W622 HydrophobicContact CB-CZ3 3.37Å; R235-W622 HydrophobicContact CG-CE3 4.4Å; R235-W622 HydrophobicContact CG-CZ3 4.3Å; C236-W622 WeakPolarHBondContact O-CZ3 3.49Å; I237-W622 HydrophobicContact CD1-CH2 4.35Å; I237-W622 HydrophobicContact CG1-CH2 3.86Å; I237-W622 HydrophobicContact CG1-CZ3 4.39Å; A264-W622 HydrophobicContact CB-CB 4.21Å; A264-W622 HydrophobicContact CB-CD2 4.39Å; A264-W622 HydrophobicContact CB-CE3 3.81Å; I266-W622 HydrophobicContact CB-CE3 4.44Å; I266-W622 HydrophobicContact CB-CZ3 4.3Å; I266-W622 HydrophobicContact CD1-CD2 3.57Å; I266-W622 VanDerWaalsContact CD1-CE2 3.46Å; I266-W622 HydrophobicContact CD1-CE3 3.85Å; I266-W622 HydrophobicContact CD1-CG 4.08Å; I266-W622 HydrophobicContact CD1-CH2 3.94Å; I266-W622 HydrophobicContact CD1-CZ2 3.68Å; I266-W622 HydrophobicContact CD1-CZ3 4Å; I266-W622 HydrophobicContact CG1-CD2 3.74Å; I266-W622 HydrophobicContact CG1-CE3 3.59Å; I266-W622 HydrophobicContact CG1-CG 4.25Å; I266-W622 HydrophobicContact CG1-CH2 4.29Å; I266-W622 HydrophobicContact CG1-CZ2 4.44Å; I266-W622 HydrophobicContact CG1-CZ3 3.86Å; T618-W622 HydrophobicContact CG2-CZ2 4.17Å; T618-W622 PolarHBondContact O-NE1 2.95Å; W622-R639 PolarHBondContact O-NH1 2.9Å
623	I	97.8	Very high	93	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.3	169.5	-61	172.3	0	0	0	107.5	L257 A264 I265 M621 W628 M635 L636 R639	L257-I623 HydrophobicContact CD1-CG2 4.37Å; A264-I623 CarbonylContact C-O 3.56Å; A264-I623 WeakPolarHBondContact CA-O 3.3Å; I265-I623 HydrophobicContact CG2-CB 4Å; I265-I623 HydrophobicContact CG2-CG2 4.5Å; I265-I623 PolarHBondContact N-O 3.15Å; I265-I623 PolarHBondContact O-N 3.46Å; M621-I623 PolarHBondContact O-N 3.42Å; I623-W628 HydrophobicContact CG2-CB 4.18Å; I623-W628 HydrophobicContact CG2-CE3 4.21Å; I623-M635 HydrophobicContact CD1-CB 3.99Å; I623-M635 HydrophobicContact CG1-CB 4.11Å; I623-M635 HydrophobicContact CG2-CB 3.67Å; I623-M635 HydrophobicContact CG2-CG 4.04Å; I623-L636 HydrophobicContact CD1-CD2 3.75Å; I623-L636 HydrophobicContact CD1-CG 4.15Å; I623-R639 HydrophobicContact CG1-CB 4.07Å
624	H	97.4	Very high	93	Very high	70 Å²	70	77.8 Å²	77.8	32%	0.324	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	153.4	-178.8	-67.9	-85.2	0	0	0	112.4	S263 R626 E627 W628	S263-H624 WeakPolarHBondContact O-CA 3.48Å; H624-R626 VanDerWaalsContact C-N 3.3Å; H624-R626 PolarHBondContact O-N 2.85Å; H624-E627 HydrophobicContact CB-CG 4.19Å; H624-E627 WeakPolarHBondContact CB-OE2 3.43Å; H624-E627 IonicContact CD2-OE2 3.21Å; H624-E627 PolarHBondContact CD2-OE2 2.8Å; H624-E627 IonicContact CG-OE2 3.11Å; H624-E627 PolarHBondContact N-OE2 3.06Å; H624-E627 WeakPolarHBondContact O-CB 3.45Å; H624-E627 PolarHBondContact O-N 3.18Å; H624-W628 PolarHBondContact O-N 2.69Å
625	Q	96.3	Very high	93.2	Very high	69 Å²	69	74 Å²	74	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-51.7	-45.5	179.6	-171	-172.3	46.5	0	0	113	L257 S263 E627 W628 Q629	L257-Q625 HydrophobicContact CB-CG 4.47Å; L257-Q625 PolarHBondContact O-NE2 3.05Å; S263-Q625 PolarHBondContact O-N 3.43Å; Q625-E627 VanDerWaalsContact C-N 3.34Å; Q625-E627 PolarHBondContact O-N 2.89Å; Q625-W628 PolarHBondContact O-N 2.71Å; Q625-Q629 WeakPolarHBondContact O-CB 3.39Å; Q625-Q629 PolarHBondContact O-N 2.84Å
626	R	96.1	Very high	93.4	Very high	211 Å²	211	71.1 Å²	71.1	80%	0.796	33%	0.327	S	S	*	.	H	α-helix	trans	-64.9	-36.7	179.2	-68.6	-176.7	179.2	178	0.2	112.9	H624 R630	H624-R626 VanDerWaalsContact C-N 3.3Å; H624-R626 PolarHBondContact O-N 2.85Å; R626-R630 WeakPolarHBondContact O-CB 3.38Å; R626-R630 PolarHBondContact O-N 3.3Å; R626-R630 VanDerWaalsContact O-N 3.14Å
627	E	96.9	Very high	93.5	Very high	44 Å²	44	68 Å²	68	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-70.9	-43	178.9	-60.8	172.5	135.4	0	0	110.1	H624 Q625 R630 F631 M635 R639	H624-E627 HydrophobicContact CB-CG 4.19Å; H624-E627 WeakPolarHBondContact CB-OE2 3.43Å; H624-E627 IonicContact CD2-OE2 3.21Å; H624-E627 PolarHBondContact CD2-OE2 2.8Å; H624-E627 IonicContact CG-OE2 3.11Å; H624-E627 PolarHBondContact N-OE2 3.06Å; H624-E627 WeakPolarHBondContact O-CB 3.45Å; H624-E627 PolarHBondContact O-N 3.18Å; Q625-E627 VanDerWaalsContact C-N 3.34Å; Q625-E627 PolarHBondContact O-N 2.89Å; E627-R630 PolarHBondContact O-N 3.18Å; E627-F631 WeakPolarHBondContact O-CB 3.44Å; E627-F631 WeakPolarHBondContact O-CD2 3.39Å; E627-F631 PolarHBondContact O-N 3.39Å; E627-M635 HydrophobicContact CB-CE 4.33Å; E627-M635 HydrophobicContact CB-CG 4.16Å; E627-M635 HydrophobicContact CB-SD 3.98Å; E627-R639 IonicContact OE1-CZ 3.63Å; E627-R639 IonicContact OE1-NH1 3.03Å; E627-R639 PolarHBondContact OE1-NH1 3.16Å; E627-R639 IonicContact OE1-NH2 3.11Å; E627-R639 PolarHBondContact OE1-NH2 2.99Å; E627-R639 IonicContact OE2-CZ 3.89Å; E627-R639 IonicContact OE2-NH1 2.75Å; E627-R639 PolarHBondContact OE2-NH1 2.92Å; E627-R639 IonicContact OE2-NH2 2.67Å
628	W	97.1	Very high	93.6	Very high	10 Å²	10	69 Å²	69	4%	0.038	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-42	174.4	-175.6	-108.5	0	0	0	112.2	K250 V253 N254 L257 H258 I623 H624 Q625 R630 G632 V633 M635 L636	K250-W628 HydrophobicContact CG-CH2 4.13Å; K250-W628 HydrophobicContact CG-CZ2 4.12Å; V253-W628 HydrophobicContact CB-CH2 4.17Å; V253-W628 HydrophobicContact CB-CZ2 4.11Å; V253-W628 HydrophobicContact CG1-CD2 3.8Å; V253-W628 HydrophobicContact CG1-CE3 3.83Å; V253-W628 HydrophobicContact CG1-CH2 3.74Å; V253-W628 HydrophobicContact CG1-CZ2 3.71Å; V253-W628 HydrophobicContact CG1-CZ3 3.81Å; N254-W628 HydrophobicContact CB-CZ2 4.28Å; N254-W628 PolarHBondContact OD1-NE1 2.64Å; L257-W628 HydrophobicContact CD1-CB 3.44Å; L257-W628 VanDerWaalsContact CD1-CB 3.44Å; L257-W628 HydrophobicContact CD1-CD2 4.2Å; L257-W628 HydrophobicContact CD1-CG 3.53Å; H258-W628 AromaticContact CE1-CD1 3.28Å; H258-W628 AromaticContact CE1-NE1 3.86Å; H258-W628 AromaticContact ND1-CD1 3.4Å; H258-W628 AromaticContact ND1-NE1 3.74Å; I623-W628 HydrophobicContact CG2-CB 4.18Å; I623-W628 HydrophobicContact CG2-CE3 4.21Å; H624-W628 PolarHBondContact O-N 2.69Å; Q625-W628 PolarHBondContact O-N 2.71Å; W628-R630 VanDerWaalsContact C-N 3.26Å; W628-R630 PolarHBondContact O-N 3.33Å; W628-G632 VanDerWaalsContact CE3-C 3.47Å; W628-G632 WeakPolarHBondContact CZ3-O 3.5Å; W628-G632 WeakPolarHBondContact O-CA 3.42Å; W628-G632 PolarHBondContact O-N 2.9Å; W628-V633 HydrophobicContact CH2-CG2 4.39Å; W628-M635 HydrophobicContact CE3-CB 4.28Å; W628-L636 HydrophobicContact CH2-CD1 3.7Å; W628-L636 HydrophobicContact CH2-CG 4.39Å; W628-L636 HydrophobicContact CZ3-CD1 3.7Å; W628-L636 HydrophobicContact CZ3-CG 3.87Å
629	Q	94.7	Very high	93.8	Very high	141 Å²	141	72.7 Å²	72.7	66%	0.659	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-35.2	175.4	-169.5	179.2	11.6	0	0	112.4	Q625	Q625-Q629 WeakPolarHBondContact O-CB 3.39Å; Q625-Q629 PolarHBondContact O-N 2.84Å
630	R	95.9	Very high	94	Very high	198 Å²	198	69.5 Å²	69.5	75%	0.747	31%	0.306	S	S	*	.	H	α-helix	trans	-84.8	-39	-177	-173	173.3	179.1	-177.2	0.9	113.5	R626 E627 W628	R626-R630 WeakPolarHBondContact O-CB 3.38Å; R626-R630 PolarHBondContact O-N 3.3Å; R626-R630 VanDerWaalsContact O-N 3.14Å; E627-R630 PolarHBondContact O-N 3.18Å; W628-R630 VanDerWaalsContact C-N 3.26Å; W628-R630 PolarHBondContact O-N 3.33Å
631	F	94.4	Very high	93.9	Very high	84 Å²	84	64 Å²	64	37%	0.368	29%	0.288	S	S	.	.	H	α-helix	trans	-121	-14.6	-168.3	-56.4	-65.4	0	0	0	113.8	E627 V633 R634 M635	E627-F631 WeakPolarHBondContact O-CB 3.44Å; E627-F631 WeakPolarHBondContact O-CD2 3.39Å; E627-F631 PolarHBondContact O-N 3.39Å; F631-V633 PolarHBondContact O-N 3.02Å; F631-R634 HydrophobicContact CB-CB 4.24Å; F631-R634 VanDerWaalsContact O-CB 3.26Å; F631-R634 WeakPolarHBondContact O-CB 3.44Å; F631-R634 PolarHBondContact O-N 2.77Å; F631-M635 HydrophobicContact CB-CG 4.04Å; F631-M635 HydrophobicContact CB-SD 3.98Å; F631-M635 HydrophobicContact CD2-SD 3.91Å; F631-M635 HydrophobicContact CG-SD 4.32Å
632	G	93.6	Very high	93.7	Very high	20 Å²	20	63.5 Å²	63.5	21%	0.206	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-132.4	178.1	0	0	0	0	0	112.9	W628 R634 M635	W628-G632 VanDerWaalsContact CE3-C 3.47Å; W628-G632 WeakPolarHBondContact CZ3-O 3.5Å; W628-G632 WeakPolarHBondContact O-CA 3.42Å; W628-G632 PolarHBondContact O-N 2.9Å; G632-R634 PolarHBondContact O-N 3.41Å; G632-M635 WeakPolarHBondContact O-CB 3.27Å; G632-M635 PolarHBondContact O-N 3.36Å
633	V	92.1	Very high	93.3	Very high	25 Å²	25	68.2 Å²	68.2	15%	0.152	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.3	-176.3	-172.1	0	0	0	0	113.4	K250 W628 F631 M635 L636 R637 W644	K250-V633 HydrophobicContact CB-CG2 4.33Å; K250-V633 HydrophobicContact CD-CG2 3.22Å; K250-V633 HydrophobicContact CG-CG2 3.59Å; W628-V633 HydrophobicContact CH2-CG2 4.39Å; F631-V633 PolarHBondContact O-N 3.02Å; V633-M635 PolarHBondContact O-N 3.44Å; V633-L636 WeakPolarHBondContact O-CB 3.37Å; V633-L636 PolarHBondContact O-N 3.11Å; V633-R637 PolarHBondContact O-N 2.98Å; V633-W644 HydrophobicContact CG1-CZ2 4.24Å
634	R	92.1	Very high	92.8	Very high	102 Å²	102	69.3 Å²	69.3	39%	0.385	32%	0.318	S	S	.	.	H	α-helix	trans	-55	-34.6	175.1	-176.6	178.7	171.2	179.3	-4.9	112	F631 G632 L636 R637 E638	F631-R634 HydrophobicContact CB-CB 4.24Å; F631-R634 VanDerWaalsContact O-CB 3.26Å; F631-R634 WeakPolarHBondContact O-CB 3.44Å; F631-R634 PolarHBondContact O-N 2.77Å; G632-R634 PolarHBondContact O-N 3.41Å; R634-L636 VanDerWaalsContact C-N 3.29Å; R634-L636 PolarHBondContact O-N 2.97Å; R634-R637 WeakPolarHBondContact O-CB 3.33Å; R634-R637 PolarHBondContact O-N 3.34Å; R634-R637 VanDerWaalsContact O-N 3.11Å; R634-E638 HydrophobicContact CG-CG 4.45Å; R634-E638 IonicContact CZ-OE1 3.91Å; R634-E638 VanDerWaalsContact CZ-OE1 3.22Å; R634-E638 IonicContact NE-OE1 3.19Å; R634-E638 PolarHBondContact NE-OE1 3.28Å; R634-E638 IonicContact NE-OE2 2.92Å; R634-E638 IonicContact NH2-OE1 2.95Å; R634-E638 PolarHBondContact NH2-OE1 3.41Å; R634-E638 PolarHBondContact O-N 2.85Å; R634-E638 VanDerWaalsContact O-N 3.1Å
635	M	95.1	Very high	92.6	Very high	4 Å²	4	69.3 Å²	69.3	2%	0.02	32%	0.318	C	S	.	.	H	α-helix	trans	-63.2	-34.8	176.6	-65.3	-49.6	-46.8	0	0	113	I623 E627 W628 F631 G632 V633 R637 E638 R639	I623-M635 HydrophobicContact CD1-CB 3.99Å; I623-M635 HydrophobicContact CG1-CB 4.11Å; I623-M635 HydrophobicContact CG2-CB 3.67Å; I623-M635 HydrophobicContact CG2-CG 4.04Å; E627-M635 HydrophobicContact CB-CE 4.33Å; E627-M635 HydrophobicContact CB-CG 4.16Å; E627-M635 HydrophobicContact CB-SD 3.98Å; W628-M635 HydrophobicContact CE3-CB 4.28Å; F631-M635 HydrophobicContact CB-CG 4.04Å; F631-M635 HydrophobicContact CB-SD 3.98Å; F631-M635 HydrophobicContact CD2-SD 3.91Å; F631-M635 HydrophobicContact CG-SD 4.32Å; G632-M635 WeakPolarHBondContact O-CB 3.27Å; G632-M635 PolarHBondContact O-N 3.36Å; V633-M635 PolarHBondContact O-N 3.44Å; M635-R637 VanDerWaalsContact C-N 3.32Å; M635-E638 PolarHBondContact O-N 2.94Å; M635-R639 HydrophobicContact CE-CG 3.85Å; M635-R639 WeakPolarHBondContact O-CB 3.27Å; M635-R639 PolarHBondContact O-N 3.27Å
636	L	93.1	Very high	92.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.6	-32.2	175.7	-69.9	163.1	0	0	0	111.4	V253 V267 I623 W628 V633 R634 A640 W644	V253-L636 HydrophobicContact CG2-CD1 4.47Å; V253-L636 HydrophobicContact CG2-CD2 4.39Å; V267-L636 HydrophobicContact CB-CD2 4.43Å; V267-L636 HydrophobicContact CG2-CD2 4.03Å; I623-L636 HydrophobicContact CD1-CD2 3.75Å; I623-L636 HydrophobicContact CD1-CG 4.15Å; W628-L636 HydrophobicContact CH2-CD1 3.7Å; W628-L636 HydrophobicContact CH2-CG 4.39Å; W628-L636 HydrophobicContact CZ3-CD1 3.7Å; W628-L636 HydrophobicContact CZ3-CG 3.87Å; V633-L636 WeakPolarHBondContact O-CB 3.37Å; V633-L636 PolarHBondContact O-N 3.11Å; R634-L636 VanDerWaalsContact C-N 3.29Å; R634-L636 PolarHBondContact O-N 2.97Å; L636-A640 WeakPolarHBondContact O-CB 3.35Å; L636-A640 PolarHBondContact O-N 3.47Å; L636-W644 HydrophobicContact CB-CD2 3.82Å; L636-W644 HydrophobicContact CB-CE3 3.98Å; L636-W644 HydrophobicContact CB-CG 4.22Å; L636-W644 HydrophobicContact CB-CZ2 4.41Å; L636-W644 HydrophobicContact CB-CZ3 4.36Å; L636-W644 HydrophobicContact CD1-CE3 4.48Å; L636-W644 HydrophobicContact CD1-CH2 3.68Å; L636-W644 HydrophobicContact CD1-CZ2 3.86Å; L636-W644 HydrophobicContact CD1-CZ3 4.02Å; L636-W644 HydrophobicContact CD2-CZ3 4.42Å
637	R	89.2	Confident	92.2	Very high	74 Å²	74	61.4 Å²	61.4	28%	0.279	29%	0.291	S	S	.	.	H	α-helix	trans	-68.5	-37.5	173.7	-73.4	-172.7	-62.2	-86.5	23.5	113.2	D422 V633 R634 M635 W644	D422-R637 VanDerWaalsContact CG-NH1 3.32Å; D422-R637 IonicContact OD1-CZ 3.98Å; D422-R637 IonicContact OD1-NH1 3.74Å; D422-R637 PolarHBondContact OD1-NH1 2.58Å; D422-R637 IonicContact OD1-NH2 2.73Å; D422-R637 PolarHBondContact OD1-NH2 2.84Å; D422-R637 IonicContact OD2-CZ 3.01Å; D422-R637 IonicContact OD2-NE 3.29Å; D422-R637 IonicContact OD2-NH1 3.99Å; D422-R637 PolarHBondContact OD2-NH1 2.83Å; D422-R637 IonicContact OD2-NH2 3.92Å; D422-R637 PolarHBondContact OD2-NH2 2.83Å; V633-R637 PolarHBondContact O-N 2.98Å; R634-R637 WeakPolarHBondContact O-CB 3.33Å; R634-R637 PolarHBondContact O-N 3.34Å; R634-R637 VanDerWaalsContact O-N 3.11Å; M635-R637 VanDerWaalsContact C-N 3.32Å; R637-W644 HydrophobicContact CG-CB 4.37Å; R637-W644 HydrophobicContact CG-CG 4.22Å
638	E	90.6	Very high	91.9	Very high	112 Å²	112	62.5 Å²	62.5	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-89.6	-33.1	-173	-68.3	-180	177.4	0	0	113.2	R634 M635	R634-E638 HydrophobicContact CG-CG 4.45Å; R634-E638 IonicContact CZ-OE1 3.91Å; R634-E638 VanDerWaalsContact CZ-OE1 3.22Å; R634-E638 IonicContact NE-OE1 3.19Å; R634-E638 PolarHBondContact NE-OE1 3.28Å; R634-E638 IonicContact NE-OE2 2.92Å; R634-E638 IonicContact NH2-OE1 2.95Å; R634-E638 PolarHBondContact NH2-OE1 3.41Å; R634-E638 PolarHBondContact O-N 2.85Å; R634-E638 VanDerWaalsContact O-N 3.1Å; M635-E638 PolarHBondContact O-N 2.94Å
639	R	92.6	Very high	91.6	Very high	80 Å²	80	65.8 Å²	65.8	30%	0.302	31%	0.312	S	S	.	.	H	α-helix	trans	-117.8	-4.5	-172.2	-68.2	-162.2	-179.6	161.4	11.3	116.1	W622 I623 E627 M635 A641	W622-R639 PolarHBondContact O-NH1 2.9Å; I623-R639 HydrophobicContact CG1-CB 4.07Å; E627-R639 IonicContact OE1-CZ 3.63Å; E627-R639 IonicContact OE1-NH1 3.03Å; E627-R639 PolarHBondContact OE1-NH1 3.16Å; E627-R639 IonicContact OE1-NH2 3.11Å; E627-R639 PolarHBondContact OE1-NH2 2.99Å; E627-R639 IonicContact OE2-CZ 3.89Å; E627-R639 IonicContact OE2-NH1 2.75Å; E627-R639 PolarHBondContact OE2-NH1 2.92Å; E627-R639 IonicContact OE2-NH2 2.67Å; M635-R639 HydrophobicContact CE-CG 3.85Å; M635-R639 WeakPolarHBondContact O-CB 3.27Å; M635-R639 PolarHBondContact O-N 3.27Å; R639-A641 PolarHBondContact O-N 3.35Å
640	A	90.3	Very high	91.4	Very high	23 Å²	23	60.7 Å²	60.7	19%	0.19	29%	0.289	C	S	.	.			trans	-64.8	135.8	173.9	0	0	0	0	0	110.3	L636 F642	L636-A640 WeakPolarHBondContact O-CB 3.35Å; L636-A640 PolarHBondContact O-N 3.47Å; A640-F642 HydrophobicContact CB-CE1 4.44Å; A640-F642 HydrophobicContact CB-CE2 4.39Å; A640-F642 HydrophobicContact CB-CZ 4.35Å; A640-F642 WeakPolarHBondContact CB-O 3.43Å; A640-F642 PolarHBondContact O-N 2.98Å; A640-F642 VanDerWaalsContact O-N 3.16Å
641	A	86.9	Confident	91	Very high	46 Å²	46	50.9 Å²	50.9	38%	0.38	26%	0.256	S	S	.	.	S	Bend	trans	-62.1	-21.3	177.1	0	0	0	0	0	113.3	H268 M621 R639	H268-A641 VanDerWaalsContact NE2-CB 3.3Å; H268-A641 WeakPolarHBondContact NE2-CB 3.43Å; M621-A641 HydrophobicContact SD-CB 3.56Å; M621-A641 VanDerWaalsContact SD-CB 3.56Å; R639-A641 PolarHBondContact O-N 3.35Å
642	F	90.2	Very high	90.8	Very high	16 Å²	16	48.4 Å²	48.4	7%	0.07	25%	0.248	C	C	.	.	S	Bend	trans	-113	152.6	174.8	56.4	-90.5	0	0	0	108.9	V240 Y244 V267 Q269 A640 W644	V240-F642 HydrophobicContact CG2-CZ 4.38Å; Y244-F642 HydrophobicContact CD1-CE2 4.33Å; Y244-F642 AromaticContact CE1-CD2 3.83Å; Y244-F642 HydrophobicContact CE1-CD2 3.83Å; Y244-F642 AromaticContact CE1-CE2 3.43Å; Y244-F642 HydrophobicContact CE1-CE2 3.43Å; Y244-F642 VanDerWaalsContact CE1-CE2 3.43Å; Y244-F642 HydrophobicContact CE1-CZ 4.13Å; Y244-F642 HydrophobicContact CE2-CE2 4.09Å; Y244-F642 AromaticContact CZ-CD2 3.86Å; Y244-F642 AromaticContact CZ-CE2 3.3Å; Y244-F642 WeakPolarHBondContact OH-CD2 3.48Å; Y244-F642 WeakPolarHBondContact OH-CE2 3.27Å; V267-F642 HydrophobicContact CG1-CE1 4.29Å; V267-F642 HydrophobicContact CG1-CZ 4.17Å; V267-F642 WeakPolarHBondContact O-CE1 3.32Å; Q269-F642 HydrophobicContact CG-CB 4.48Å; Q269-F642 HydrophobicContact CG-CD1 3.7Å; Q269-F642 HydrophobicContact CG-CD2 4.49Å; Q269-F642 HydrophobicContact CG-CE1 3.99Å; Q269-F642 HydrophobicContact CG-CG 3.96Å; A640-F642 HydrophobicContact CB-CE1 4.44Å; A640-F642 HydrophobicContact CB-CE2 4.39Å; A640-F642 HydrophobicContact CB-CZ 4.35Å; A640-F642 WeakPolarHBondContact CB-O 3.43Å; A640-F642 PolarHBondContact O-N 2.98Å; A640-F642 VanDerWaalsContact O-N 3.16Å; F642-W644 HydrophobicContact CE2-CE3 4.01Å; F642-W644 HydrophobicContact CZ-CE3 4.42Å; F642-W644 PolarHBondContact O-N 3.15Å
643	V	87.5	Confident	90.5	Very high	102 Å²	102	50.8 Å²	50.8	62%	0.618	25%	0.251	S	S	*	.			trans	-57.8	112.8	172.2	-171.9	0	0	0	0	107.8	Y244 R305	Y244-V643 PolarHBondContact OH-O 3.32Å; R305-V643 VanDerWaalsContact NH2-C 3.28Å; R305-V643 PolarHBondContact NH2-O 3.34Å
644	W	86.9	Confident	90.4	Very high	25 Å²	25	53.1 Å²	53.1	10%	0.095	26%	0.26	C	S	.	.			trans	-60.9	0	173.3	-179.4	-105.3	0	0	0	110.1	Y244 R246 V249 R305 V633 L636 R637 F642	Y244-W644 HydrophobicContact CD2-CZ3 4.13Å; Y244-W644 AromaticContact CE2-CE3 3.82Å; Y244-W644 HydrophobicContact CE2-CE3 3.82Å; Y244-W644 HydrophobicContact CE2-CH2 4.43Å; Y244-W644 AromaticContact CE2-CZ3 3.75Å; Y244-W644 HydrophobicContact CE2-CZ3 3.75Å; Y244-W644 PolarHBondContact OH-O 3.23Å; Y244-W644 VanDerWaalsContact OH-O 3.08Å; R246-W644 HydrophobicContact CB-CH2 3.98Å; R246-W644 HydrophobicContact CB-CZ2 3.55Å; R246-W644 HydrophobicContact CG-CD2 4.36Å; R246-W644 HydrophobicContact CG-CH2 4.08Å; R246-W644 HydrophobicContact CG-CZ2 3.67Å; R246-W644 PolarHBondContact NE-O 2.59Å; R246-W644 PolarHBondContact NH2-O 3.32Å; R246-W644 PolarHBondContact NH2-OXT 3.27Å; R246-W644 WeakPolarHBondContact O-CH2 3.36Å; V249-W644 HydrophobicContact CB-CH2 3.82Å; V249-W644 HydrophobicContact CB-CZ3 4.1Å; V249-W644 HydrophobicContact CG1-CH2 3.78Å; V249-W644 HydrophobicContact CG1-CZ3 3.73Å; R305-W644 PolarHBondContact NH2-OXT 2.88Å; V633-W644 HydrophobicContact CG1-CZ2 4.24Å; L636-W644 HydrophobicContact CB-CD2 3.82Å; L636-W644 HydrophobicContact CB-CE3 3.98Å; L636-W644 HydrophobicContact CB-CG 4.22Å; L636-W644 HydrophobicContact CB-CZ2 4.41Å; L636-W644 HydrophobicContact CB-CZ3 4.36Å; L636-W644 HydrophobicContact CD1-CE3 4.48Å; L636-W644 HydrophobicContact CD1-CH2 3.68Å; L636-W644 HydrophobicContact CD1-CZ2 3.86Å; L636-W644 HydrophobicContact CD1-CZ3 4.02Å; L636-W644 HydrophobicContact CD2-CZ3 4.42Å; R637-W644 HydrophobicContact CG-CB 4.37Å; R637-W644 HydrophobicContact CG-CG 4.22Å; F642-W644 HydrophobicContact CE2-CE3 4.01Å; F642-W644 HydrophobicContact CZ-CE3 4.42Å; F642-W644 PolarHBondContact O-N 3.15Å

Retrieved 644 of 644 residues in 1123.7 ms (Link to these results)

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