A0A5K4EYX4_SCHMA Loading...

DNA repair and recombination protein RAD54-like

AlphaFold DB , UniProt , Accession A0A5K4EYX4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 707 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	32.7	Very low	31.3	Very low	240 Å²	240	170.4 Å²	170.4	100%	1.182	88%	0.882	S	S	*	*				0	144.6	0	-73.4	-174.1	-161.6	0	0	109.5
2	R	32.9	Very low	31.2	Very low	245 Å²	245	167.6 Å²	167.6	93%	0.925	89%	0.885	S	S	*	*			trans	64.1	100.5	158.7	-76.4	-177.5	173.3	175.9	-1.9	120.4
3	R	33	Very low	30.7	Very low	250 Å²	250	165 Å²	165	94%	0.943	88%	0.88	S	S	*	*			trans	-18.4	121.2	144.8	-67.9	173.1	173.3	175.2	-3.4	115.4
4	S	30.7	Very low	30.7	Very low	120 Å²	120	171.1 Å²	171.1	84%	0.839	89%	0.885	S	S	*	*			trans	-83.4	121.2	162.9	50	0	0	0	0	110.4
5	L	32.8	Very low	30.3	Very low	177 Å²	177	172.5 Å²	172.5	93%	0.927	89%	0.886	S	S	*	*			trans	-88.1	125.1	165.9	-71.1	162	0	0	0	107.6
6	A	30.6	Very low	30.3	Very low	97 Å²	97	169.1 Å²	169.1	80%	0.802	88%	0.882	S	S	*	*			trans	-116.2	142.2	171.4	0	0	0	0	0	110.2
7	P	31	Very low	30.1	Very low	114 Å²	114	166.4 Å²	166.4	74%	0.74	88%	0.881	S	S	*	*			trans	-97.4	151.3	-154.9	0.6	21.7	0	0	0	114.3
8	S	28	Very low	30.1	Very low	115 Å²	115	163.9 Å²	163.9	80%	0.804	88%	0.879	S	S	*	*			trans	-21.1	119.3	159.9	49.8	0	0	0	0	116.9
9	K	33.8	Very low	30.2	Very low	207 Å²	207	160.3 Å²	160.3	90%	0.9	87%	0.874	S	S	*	*			trans	-100.3	102.9	160.5	-81.9	-167.8	174.8	-175.7	0	110.8
10	L	31.9	Very low	30.3	Very low	156 Å²	156	158.5 Å²	158.5	82%	0.817	87%	0.871	S	S	*	*			trans	17.7	112.4	137.7	-69.2	156.9	0	0	0	119.4
11	N	27.1	Very low	30.3	Very low	153 Å²	153	160 Å²	160	82%	0.818	87%	0.872	S	S	*	*			trans	7	112.6	135.7	-65.4	-12.3	0	0	0	118.4
12	C	29.9	Very low	30.3	Very low	137 Å²	137	154 Å²	154	93%	0.926	85%	0.851	S	S	*	*			trans	-109.6	109.6	153.4	-94.2	0	0	0	0	109
13	T	24.9	Very low	30.5	Very low	134 Å²	134	148.3 Å²	148.3	82%	0.822	85%	0.846	S	S	*	*			trans	-76.1	124.2	167.1	41.8	0	0	0	0	110
14	R	29.8	Very low	30.3	Very low	250 Å²	250	144.5 Å²	144.5	94%	0.943	84%	0.843	S	S	*	*			trans	-144.3	116.1	157.1	-104.2	-176.4	176.6	-178.4	-1.8	109.9
15	E	25.6	Very low	30.3	Very low	192 Å²	192	148 Å²	148	90%	0.897	84%	0.843	S	S	*	*			trans	-71.8	139.6	169.3	-61.8	169.3	147.7	0	0	110.1
16	S	30.1	Very low	30.1	Very low	119 Å²	119	149.1 Å²	149.1	83%	0.832	84%	0.841	S	S	*	*			trans	-175.9	125.4	135.7	56.6	0	0	0	0	110.2
17	S	26.2	Very low	30	Very low	122 Å²	122	154.9 Å²	154.9	85%	0.853	84%	0.843	S	S	*	*			trans	-58.3	139.2	177.2	50	0	0	0	0	115.6
18	S	31.7	Very low	29.7	Very low	122 Å²	122	160.9 Å²	160.9	85%	0.853	85%	0.851	S	S	*	*			trans	-143.9	143.2	153.7	58.7	0	0	0	0	110.3
19	A	30.9	Very low	29.7	Very low	95 Å²	95	161 Å²	161	79%	0.785	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-65.4	161.7	-154.4	0	0	0	0	0	117.3
20	P	31.8	Very low	29.5	Very low	125 Å²	125	157.2 Å²	157.2	81%	0.812	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-87.1	131.8	-173.7	30.9	-25.5	0	0	0	113.2
21	E	31.1	Very low	29.4	Very low	189 Å²	189	156.9 Å²	156.9	88%	0.883	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-71	143.4	168.8	-84.2	-174.9	153.7	0	0	111.9
22	P	33.3	Very low	29.4	Very low	116 Å²	116	158.1 Å²	158.1	75%	0.753	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-74.4	148.8	-176.4	29	-33.2	0	0	0	113.2
23	P	36	Very low	29.3	Very low	125 Å²	125	160.5 Å²	160.5	81%	0.812	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-76.1	131	-173	28.8	-32.9	0	0	0	112.9	K25	P23-K25 PolarHBondContact O-N 3.11Å
24	L	30.4	Very low	29.4	Very low	169 Å²	169	162.9 Å²	162.9	89%	0.885	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-60.1	119.6	172.4	-73.8	162.2	0	0	0	111.1	K26	L24-K26 PolarHBondContact O-N 3.39Å; L24-K26 VanDerWaalsContact O-N 3.1Å
25	K	29.7	Very low	29.4	Very low	195 Å²	195	158.9 Å²	158.9	85%	0.848	83%	0.833	S	S	*	*			trans	-59.5	107.1	173.9	-73.6	177.8	176.3	176.6	0	110.4	P23 Y27	P23-K25 PolarHBondContact O-N 3.11Å; K25-Y27 PolarHBondContact O-N 3.43Å
26	K	29.6	Very low	29.5	Very low	200 Å²	200	155.7 Å²	155.7	87%	0.87	83%	0.827	S	S	*	*			trans	-74.5	109.9	168.6	-72	-178.1	177.5	178.3	0	109.1	L24 R28	L24-K26 PolarHBondContact O-N 3.39Å; L24-K26 VanDerWaalsContact O-N 3.1Å; K26-R28 PolarHBondContact O-N 3.43Å
27	Y	27.2	Very low	29.4	Very low	218 Å²	218	154.7 Å²	154.7	86%	0.855	82%	0.818	S	S	*	*			trans	-62.3	120.4	167.7	-88.1	-96.3	0	0	0	109.4	K25 T29	K25-Y27 PolarHBondContact O-N 3.43Å; Y27-T29 PolarHBondContact O-N 3.05Å
28	R	25.1	Very low	29.5	Very low	240 Å²	240	156.1 Å²	156.1	91%	0.906	82%	0.816	S	S	*	*			trans	-91.5	89	-179.7	-161.2	178.8	-172	176.1	1.7	107.8	K26 V30	K26-R28 PolarHBondContact O-N 3.43Å; R28-V30 PolarHBondContact O-N 3.11Å
29	T	28.6	Very low	29.5	Very low	118 Å²	118	158.6 Å²	158.6	72%	0.724	81%	0.814	S	S	*	*			trans	-80.3	110.3	173.6	-17.4	0	0	0	0	108.6	Y27 L31	Y27-T29 PolarHBondContact O-N 3.05Å; T29-L31 PolarHBondContact O-N 3.41Å; T29-L31 VanDerWaalsContact O-N 3.09Å
30	V	29.5	Very low	29.5	Very low	126 Å²	126	158.3 Å²	158.3	76%	0.764	81%	0.805	S	S	*	*			trans	-72.1	94.9	173.9	-180	0	0	0	0	107.6	R28	R28-V30 PolarHBondContact O-N 3.11Å
31	L	28.5	Very low	29.4	Very low	150 Å²	150	158.1 Å²	158.1	79%	0.785	80%	0.804	S	S	*	*			trans	-91	113.4	167.7	-77.6	167	0	0	0	107.6	T29 E33	T29-L31 PolarHBondContact O-N 3.41Å; T29-L31 VanDerWaalsContact O-N 3.09Å; L31-E33 PolarHBondContact O-N 3.41Å; L31-E33 VanDerWaalsContact O-N 3.1Å
32	H	28.1	Very low	29.4	Very low	179 Å²	179	154.1 Å²	154.1	83%	0.829	79%	0.793	S	S	*	*			trans	-55.2	112.2	170.8	-112.5	-62.1	0	0	0	109.4	K34	H32-K34 PolarHBondContact O-N 3.4Å
33	E	26.8	Very low	29.3	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	78%	0.784	S	S	*	*			trans	-60.4	98.8	166.9	-72.5	175.2	160.9	0	0	108.5	L31	L31-E33 PolarHBondContact O-N 3.41Å; L31-E33 VanDerWaalsContact O-N 3.1Å
34	K	28.7	Very low	29	Very low	185 Å²	185	155.1 Å²	155.1	80%	0.804	78%	0.778	S	S	*	*			trans	-85.6	118	157.2	-80.9	-174.3	175.2	-178.8	0	106.7	H32 V36	H32-K34 PolarHBondContact O-N 3.4Å; K34-V36 PolarHBondContact O-N 3.18Å
35	N	28.2	Very low	29.1	Very low	165 Å²	165	152.7 Å²	152.7	88%	0.882	77%	0.766	S	S	*	*			trans	-40	101.3	171.1	-70.2	-37.1	0	0	0	111.3
36	V	27.9	Very low	29.4	Very low	126 Å²	126	147 Å²	147	76%	0.764	75%	0.751	S	S	*	*			trans	-100.5	122.8	164.3	179.8	0	0	0	0	105.9	K34 D38	K34-V36 PolarHBondContact O-N 3.18Å; V36-D38 PolarHBondContact O-N 2.93Å
37	P	28.6	Very low	29.4	Very low	98 Å²	98	144.5 Å²	144.5	64%	0.636	74%	0.74	S	S	*	*			trans	-63	130.7	-179.9	-12.1	24.3	0	0	0	110.1	H39	P37-H39 PolarHBondContact O-N 2.71Å
38	D	27.6	Very low	29.6	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	74%	0.738	S	S	*	*			trans	-67.3	96.8	177.4	-160.8	9.5	0	0	0	109.5	V36 S40	V36-D38 PolarHBondContact O-N 2.93Å; D38-S40 VanDerWaalsContact C-N 3.27Å; D38-S40 PolarHBondContact O-N 3.01Å
39	H	33.1	Very low	29.9	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.806	74%	0.736	S	S	*	*			trans	-78.9	83	172.3	-81	-65.3	0	0	0	109.1	P37	P37-H39 PolarHBondContact O-N 2.71Å
40	S	29.5	Very low	30.1	Very low	88 Å²	88	141.5 Å²	141.5	62%	0.615	73%	0.734	S	S	*	*			trans	-58.2	147	163.2	47.7	0	0	0	0	110.6	D38 V42	D38-S40 VanDerWaalsContact C-N 3.27Å; D38-S40 PolarHBondContact O-N 3.01Å; S40-V42 PolarHBondContact O-N 2.88Å
41	P	30.3	Very low	30.3	Very low	121 Å²	121	140.1 Å²	140.1	79%	0.786	73%	0.73	S	S	*	*			trans	-58.3	131.4	-179.5	22.8	-31.7	0	0	0	110.2	D43	P41-D43 PolarHBondContact O-N 3.19Å
42	V	31.5	Very low	30.7	Very low	106 Å²	106	137.7 Å²	137.7	64%	0.642	72%	0.723	S	S	*	*			trans	-51.8	112.4	-179.3	-178.6	0	0	0	0	109.7	S40 F44 F47	S40-V42 PolarHBondContact O-N 2.88Å; V42-F44 WeakPolarHBondContact O-CD2 3.35Å; V42-F44 PolarHBondContact O-N 3.3Å; V42-F47 HydrophobicContact CG1-CE2 4.26Å
43	D	31.3	Very low	31.2	Very low	105 Å²	105	133.3 Å²	133.3	56%	0.561	72%	0.718	S	S	*	*			trans	-72.5	98.9	178.2	-170.7	-0.7	0	0	0	109.5	P41 N45 S46	P41-D43 PolarHBondContact O-N 3.19Å; D43-N45 PolarHBondContact O-N 3.1Å; D43-N45 PolarHBondContact OD1-N 3.28Å; D43-S46 PolarHBondContact O-N 3.26Å; D43-S46 VanDerWaalsContact O-N 3.11Å; D43-S46 PolarHBondContact O-OG 3.19Å
44	F	28.9	Very low	31.9	Very low	157 Å²	157	126.7 Å²	126.7	69%	0.689	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-17.6	-179.8	-87.4	-89	0	0	0	113.6	V42	V42-F44 WeakPolarHBondContact O-CD2 3.35Å; V42-F44 PolarHBondContact O-N 3.3Å
45	N	33.2	Very low	32.5	Very low	118 Å²	118	123.9 Å²	123.9	63%	0.631	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-19.7	179.3	-74.8	-31.5	0	0	0	114	D43	D43-N45 PolarHBondContact O-N 3.1Å; D43-N45 PolarHBondContact OD1-N 3.28Å
46	S	34.7	Very low	33.4	Very low	76 Å²	76	124 Å²	124	53%	0.531	68%	0.675	S	S	.	*	G	3₁₀ helix	trans	-71.5	-28.8	178.5	62.5	0	0	0	0	113.1	D43 R48	D43-S46 PolarHBondContact O-N 3.26Å; D43-S46 VanDerWaalsContact O-N 3.11Å; D43-S46 PolarHBondContact O-OG 3.19Å; S46-R48 VanDerWaalsContact C-N 3.29Å; S46-R48 PolarHBondContact O-N 3.24Å
47	F	31	Very low	34.9	Very low	147 Å²	147	122.2 Å²	122.2	65%	0.645	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-75.8	-11.5	-179.5	-82.4	-82.9	0	0	0	114.5	V42 K49	V42-F47 HydrophobicContact CG1-CE2 4.26Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.32Å
48	R	29.9	Very low	37.3	Very low	217 Å²	217	119.5 Å²	119.5	82%	0.819	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-75.8	-12.8	176.9	-91.4	-174.6	174.7	-177.6	-1.1	114.4	S46	S46-R48 VanDerWaalsContact C-N 3.29Å; S46-R48 PolarHBondContact O-N 3.24Å
49	K	31.9	Very low	40	Very low	198 Å²	198	117.2 Å²	117.2	86%	0.861	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-91.9	-0.6	-172.6	-76.2	-168.3	176.7	-178	0	115.9	F47	F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 3.32Å
50	S	33.6	Very low	42.6	Very low	97 Å²	97	109.5 Å²	109.5	68%	0.678	61%	0.605	S	S	*	*			trans	-158.1	61.5	175.4	61.8	0	0	0	0	112.2	P52	S50-P52 WeakPolarHBondContact O-CD 3.13Å
51	S	33	Very low	45.4	Very low	97 Å²	97	105.9 Å²	105.9	68%	0.678	58%	0.579	S	S	*	*			trans	-73.2	118.9	150.9	-64.1	0	0	0	0	106.2	A53	S51-A53 PolarHBondContact O-N 3.3Å
52	P	36.8	Very low	48	Very low	99 Å²	99	103 Å²	103	64%	0.643	56%	0.557	S	S	*	*			trans	-51.9	139.5	167.9	-17.2	28.9	0	0	0	107.5	S50 C54	S50-P52 WeakPolarHBondContact O-CD 3.13Å; P52-C54 PolarHBondContact O-N 2.91Å
53	A	39.2	Very low	50.7	Low	87 Å²	87	100 Å²	100	72%	0.719	54%	0.537	S	S	*	.			trans	-53.5	102.8	174.8	0	0	0	0	0	108.3	S51 D55	S51-A53 PolarHBondContact O-N 3.3Å; A53-D55 PolarHBondContact O-N 3.03Å
54	C	41.2	Very low	53.5	Low	47 Å²	47	95 Å²	95	32%	0.318	51%	0.51	S	S	.	.			trans	-57.7	126.5	173.2	-66.7	0	0	0	0	107	P52 Y56	P52-C54 PolarHBondContact O-N 2.91Å; C54-Y56 WeakPolarHBondContact O-CD2 3.23Å; C54-Y56 PolarHBondContact O-N 2.93Å
55	D	41.8	Very low	56.1	Low	126 Å²	126	91.5 Å²	91.5	67%	0.674	49%	0.492	S	S	*	.			trans	-53.1	115.2	-177.1	-146	-6.1	0	0	0	109	A53 S57 D58	A53-D55 PolarHBondContact O-N 3.03Å; D55-S57 PolarHBondContact O-N 3.4Å; D55-D58 PolarHBondContact O-N 3.48Å
56	Y	47.4	Very low	58.4	Low	169 Å²	169	90.4 Å²	90.4	66%	0.663	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-5.2	-168.4	-77.3	-90.8	0	0	0	113	C54 N62	C54-Y56 WeakPolarHBondContact O-CD2 3.23Å; C54-Y56 PolarHBondContact O-N 2.93Å; Y56-N62 PolarHBondContact O-ND2 3.18Å
57	S	59.1	Low	60.7	Low	88 Å²	88	87.5 Å²	87.5	62%	0.615	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.6	-175.9	49.1	0	0	0	0	115.4	D55 P59	D55-S57 PolarHBondContact O-N 3.4Å; S57-P59 WeakPolarHBondContact O-CD 3.23Å
58	D	78.6	Confident	63.2	Low	41 Å²	41	83.8 Å²	83.8	22%	0.219	45%	0.452	C	S	.	.			trans	-74.5	124	-176.6	-177.6	70.9	0	0	0	112.6	D55 H60 E61 N62	D55-D58 PolarHBondContact O-N 3.48Å; D58-H60 VanDerWaalsContact C-N 3.31Å; D58-H60 PolarHBondContact O-N 3.28Å; D58-H60 WeakPolarHBondContact OD2-CA 3.22Å; D58-H60 VanDerWaalsContact OD2-CB 3.25Å; D58-H60 WeakPolarHBondContact OD2-CB 3.43Å; D58-H60 PolarHBondContact OD2-N 3.35Å; D58-E61 HydrophobicContact CB-CB 4.26Å; D58-E61 HydrophobicContact CB-CG 4.33Å; D58-E61 PolarHBondContact OD2-N 3.24Å; D58-N62 PolarHBondContact O-N 2.95Å; D58-N62 PolarHBondContact O-ND2 3.45Å; D58-N62 VanDerWaalsContact O-ND2 3.12Å
59	P	84.6	Confident	65.6	Low	104 Å²	104	77.6 Å²	77.6	68%	0.675	44%	0.441	S	S	*	.	H	α-helix	trans	-61.9	-33.9	-179.5	-24.6	34.9	0	0	0	114.1	S57 L63	S57-P59 WeakPolarHBondContact O-CD 3.23Å; P59-L63 PolarHBondContact O-N 2.73Å
60	H	87.9	Confident	67.2	Low	11 Å²	11	74.6 Å²	74.6	5%	0.051	43%	0.428	C	S	.	.	H	α-helix	trans	-72.7	-46.1	-178.8	173.4	-91	0	0	0	110.8	D58 N62 L63 I64 Q461 D464	D58-H60 VanDerWaalsContact C-N 3.31Å; D58-H60 PolarHBondContact O-N 3.28Å; D58-H60 WeakPolarHBondContact OD2-CA 3.22Å; D58-H60 VanDerWaalsContact OD2-CB 3.25Å; D58-H60 WeakPolarHBondContact OD2-CB 3.43Å; D58-H60 PolarHBondContact OD2-N 3.35Å; H60-N62 VanDerWaalsContact C-N 3.27Å; H60-N62 PolarHBondContact O-N 3.1Å; H60-L63 WeakPolarHBondContact O-CB 3.33Å; H60-L63 PolarHBondContact O-N 3.32Å; H60-L63 VanDerWaalsContact O-N 3.09Å; H60-I64 WeakPolarHBondContact O-CG1 3.32Å; H60-I64 PolarHBondContact O-N 3.2Å; H60-Q461 WeakPolarHBondContact NE2-CA 3.25Å; H60-D464 IonicContact CE1-OD2 3.85Å; H60-D464 PolarHBondContact CE1-OD2 2.95Å; H60-D464 VanDerWaalsContact CE1-OD2 3.3Å
61	E	88.5	Confident	68.2	Low	13 Å²	13	75.5 Å²	75.5	6%	0.061	43%	0.432	C	S	.	.	H	α-helix	trans	-57.7	-39.8	173.4	-76.8	-62.1	144.2	0	0	112.4	D58 I64 R65 R498	D58-E61 HydrophobicContact CB-CB 4.26Å; D58-E61 HydrophobicContact CB-CG 4.33Å; D58-E61 PolarHBondContact OD2-N 3.24Å; E61-I64 PolarHBondContact O-N 2.82Å; E61-R65 WeakPolarHBondContact O-CB 3.32Å; E61-R65 WeakPolarHBondContact O-CG 3.22Å; E61-R65 PolarHBondContact O-N 2.92Å; E61-R498 VanDerWaalsContact CD-NH2 3.34Å; E61-R498 IonicContact OE1-CZ 3.36Å; E61-R498 IonicContact OE1-NH1 3.78Å; E61-R498 PolarHBondContact OE1-NH1 3.16Å; E61-R498 IonicContact OE1-NH2 2.84Å; E61-R498 PolarHBondContact OE1-NH2 3.47Å; E61-R498 IonicContact OE2-CZ 3.7Å; E61-R498 IonicContact OE2-NH1 3.59Å; E61-R498 PolarHBondContact OE2-NH1 3.42Å; E61-R498 IonicContact OE2-NH2 3.01Å; E61-R498 PolarHBondContact OE2-NH2 3.39Å
62	N	85.1	Confident	68.7	Low	59 Å²	59	76.1 Å²	76.1	32%	0.316	42%	0.423	S	S	.	.	H	α-helix	trans	-65.5	-39.5	175.6	-75.5	-38.4	0	0	0	112.3	Y56 D58 H60 N66	Y56-N62 PolarHBondContact O-ND2 3.18Å; D58-N62 PolarHBondContact O-N 2.95Å; D58-N62 PolarHBondContact O-ND2 3.45Å; D58-N62 VanDerWaalsContact O-ND2 3.12Å; H60-N62 VanDerWaalsContact C-N 3.27Å; H60-N62 PolarHBondContact O-N 3.1Å; N62-N66 WeakPolarHBondContact O-CB 3.44Å; N62-N66 PolarHBondContact O-N 2.78Å; N62-N66 PolarHBondContact O-ND2 3.4Å; N62-N66 VanDerWaalsContact O-ND2 3.14Å
63	L	87.1	Confident	68.9	Low	44 Å²	44	82 Å²	82	23%	0.23	43%	0.432	C	S	.	.	H	α-helix	trans	-59.7	-49.3	172.8	176.9	64.7	0	0	0	111.3	P59 H60 N66 I67 T688	P59-L63 PolarHBondContact O-N 2.73Å; H60-L63 WeakPolarHBondContact O-CB 3.33Å; H60-L63 PolarHBondContact O-N 3.32Å; H60-L63 VanDerWaalsContact O-N 3.09Å; L63-N66 PolarHBondContact O-N 3.24Å; L63-I67 HydrophobicContact CD1-CD1 4.09Å; L63-I67 HydrophobicContact CG-CD1 4Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.07Å; L63-T688 HydrophobicContact CD2-CG2 4Å
64	I	89.4	Confident	68.9	Low	0 Å²	0	82.4 Å²	82.4	0%	0	43%	0.426	C	S	.	.	H	α-helix	trans	-63.2	-45.1	-179.4	-60.1	-60.5	0	0	0	111.3	H60 E61 N66 I67 L68 D464 C465 A468	H60-I64 WeakPolarHBondContact O-CG1 3.32Å; H60-I64 PolarHBondContact O-N 3.2Å; E61-I64 PolarHBondContact O-N 2.82Å; I64-N66 VanDerWaalsContact C-N 3.31Å; I64-N66 PolarHBondContact O-N 3.28Å; I64-I67 PolarHBondContact O-N 3.46Å; I64-I67 VanDerWaalsContact O-N 3.13Å; I64-L68 HydrophobicContact CG2-CD1 3.81Å; I64-L68 HydrophobicContact CG2-CG 4.24Å; I64-L68 WeakPolarHBondContact O-CG 3.33Å; I64-L68 PolarHBondContact O-N 2.9Å; I64-D464 HydrophobicContact CD1-CB 4.36Å; I64-C465 VanDerWaalsContact CD1-CA 3.44Å; I64-C465 HydrophobicContact CD1-CB 3.8Å; I64-A468 HydrophobicContact CD1-CB 4.26Å; I64-A468 HydrophobicContact CG2-CB 4.21Å
65	R	83.4	Confident	68.7	Low	83 Å²	83	85.2 Å²	85.2	31%	0.313	44%	0.443	S	S	.	.	H	α-helix	trans	-58.8	-42.8	175.5	-75.3	176.8	-173.4	170.8	1.2	112.1	E61 I67 L68 S69	E61-R65 WeakPolarHBondContact O-CB 3.32Å; E61-R65 WeakPolarHBondContact O-CG 3.22Å; E61-R65 PolarHBondContact O-N 2.92Å; R65-I67 VanDerWaalsContact C-N 3.28Å; R65-I67 PolarHBondContact O-N 2.95Å; R65-L68 PolarHBondContact O-N 2.69Å; R65-S69 VanDerWaalsContact O-CB 3.25Å; R65-S69 WeakPolarHBondContact O-CB 3.34Å; R65-S69 PolarHBondContact O-N 3.45Å; R65-S69 PolarHBondContact O-OG 2.78Å; R65-S69 VanDerWaalsContact O-OG 3.1Å
66	N	82.9	Confident	68.6	Low	95 Å²	95	85.1 Å²	85.1	51%	0.508	44%	0.441	S	S	.	.	H	α-helix	trans	-66.6	-27.9	177.6	-75	-25.1	0	0	0	113.3	N62 L63 I64 S69 K70	N62-N66 WeakPolarHBondContact O-CB 3.44Å; N62-N66 PolarHBondContact O-N 2.78Å; N62-N66 PolarHBondContact O-ND2 3.4Å; N62-N66 VanDerWaalsContact O-ND2 3.14Å; L63-N66 PolarHBondContact O-N 3.24Å; I64-N66 VanDerWaalsContact C-N 3.31Å; I64-N66 PolarHBondContact O-N 3.28Å; N66-S69 PolarHBondContact O-OG 3.48Å; N66-K70 WeakPolarHBondContact O-CD 3.16Å; N66-K70 VanDerWaalsContact O-CE 3.3Å; N66-K70 WeakPolarHBondContact O-CE 3.43Å; N66-K70 WeakPolarHBondContact O-CG 3.48Å
67	I	82.8	Confident	67.9	Low	16 Å²	16	84 Å²	84	8%	0.082	45%	0.446	C	S	.	.	H	α-helix	trans	-75.3	-48.1	173.7	-68	162.8	0	0	0	109.8	L63 I64 R65 S69 K70 C465 A468 V469 S472	L63-I67 HydrophobicContact CD1-CD1 4.09Å; L63-I67 HydrophobicContact CG-CD1 4Å; L63-I67 WeakPolarHBondContact O-CG1 3.45Å; L63-I67 PolarHBondContact O-N 3.07Å; I64-I67 PolarHBondContact O-N 3.46Å; I64-I67 VanDerWaalsContact O-N 3.13Å; R65-I67 VanDerWaalsContact C-N 3.28Å; R65-I67 PolarHBondContact O-N 2.95Å; I67-S69 VanDerWaalsContact C-N 3.35Å; I67-S69 PolarHBondContact O-N 3.3Å; I67-K70 PolarHBondContact O-N 3.2Å; I67-C465 VanDerWaalsContact CD1-SG 3.56Å; I67-A468 HydrophobicContact CB-CB 4.46Å; I67-A468 HydrophobicContact CG2-CB 3.9Å; I67-V469 HydrophobicContact CD1-CG2 4.03Å; I67-V469 HydrophobicContact CG2-CG2 3.91Å; I67-S472 WeakPolarHBondContact CG2-OG 3.42Å
68	L	82.9	Confident	66.8	Low	69 Å²	69	86.8 Å²	86.8	36%	0.361	45%	0.453	S	S	.	.	H	α-helix	trans	-72.1	-23.5	-176.7	-65.6	178.5	0	0	0	113.9	I64 R65 K70 A468	I64-L68 HydrophobicContact CG2-CD1 3.81Å; I64-L68 HydrophobicContact CG2-CG 4.24Å; I64-L68 WeakPolarHBondContact O-CG 3.33Å; I64-L68 PolarHBondContact O-N 2.9Å; R65-L68 PolarHBondContact O-N 2.69Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-A468 HydrophobicContact CD2-CB 3.84Å; L68-A468 HydrophobicContact CG-CB 4.13Å
69	S	79.7	Confident	64.7	Low	86 Å²	86	93.7 Å²	93.7	60%	0.601	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-15	177.6	67	0	0	0	0	113.9	R65 N66 I67	R65-S69 VanDerWaalsContact O-CB 3.25Å; R65-S69 WeakPolarHBondContact O-CB 3.34Å; R65-S69 PolarHBondContact O-N 3.45Å; R65-S69 PolarHBondContact O-OG 2.78Å; R65-S69 VanDerWaalsContact O-OG 3.1Å; N66-S69 PolarHBondContact O-OG 3.48Å; I67-S69 VanDerWaalsContact C-N 3.35Å; I67-S69 PolarHBondContact O-N 3.3Å
70	K	66.5	Low	62.2	Low	135 Å²	135	96 Å²	96	59%	0.587	48%	0.484	S	S	*	.	S	Bend	trans	-71.7	132.3	179.5	-74.2	168.8	-175.4	176.7	0	110	N66 I67 L68 F72	N66-K70 WeakPolarHBondContact O-CD 3.16Å; N66-K70 VanDerWaalsContact O-CE 3.3Å; N66-K70 WeakPolarHBondContact O-CE 3.43Å; N66-K70 WeakPolarHBondContact O-CG 3.48Å; I67-K70 PolarHBondContact O-N 3.2Å; L68-K70 VanDerWaalsContact C-N 3.34Å; K70-F72 PolarHBondContact O-N 2.88Å
71	P	55.3	Low	59.3	Low	117 Å²	117	97.4 Å²	97.4	76%	0.76	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-63.1	136.7	174.8	25.3	-32.2	0	0	0	110.3	R73	P71-R73 PolarHBondContact O-N 2.85Å
72	F	43.7	Very low	56.5	Low	110 Å²	110	103.1 Å²	103.1	48%	0.482	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-56.2	125	175.8	178.2	-107.6	0	0	0	110.4	K70 V74 S472	K70-F72 PolarHBondContact O-N 2.88Å; F72-V74 HydrophobicContact CD1-CG2 3.77Å; F72-V74 HydrophobicContact CE1-CB 4.44Å; F72-V74 HydrophobicContact CE1-CG2 3.09Å; F72-V74 HydrophobicContact CZ-CG2 3.78Å; F72-S472 VanDerWaalsContact CD2-O 3.31Å; F72-S472 WeakPolarHBondContact CD2-O 3.48Å
73	R	40.2	Very low	53.9	Low	221 Å²	221	105.3 Å²	105.3	83%	0.834	56%	0.563	S	S	*	*			trans	-116.2	106.4	-178.8	-136.4	179.3	-171.4	-177	2.7	108.7	P71 P75	P71-R73 PolarHBondContact O-N 2.85Å; R73-P75 VanDerWaalsContact O-CD 3.31Å; R73-P75 WeakPolarHBondContact O-CD 3.46Å
74	V	39.5	Very low	51.1	Low	97 Å²	97	110.2 Å²	110.2	59%	0.588	59%	0.59	S	S	*	*			trans	-77.8	119.5	172.2	-178.3	0	0	0	0	108.8	F72 I76	F72-V74 HydrophobicContact CD1-CG2 3.77Å; F72-V74 HydrophobicContact CE1-CB 4.44Å; F72-V74 HydrophobicContact CE1-CG2 3.09Å; F72-V74 HydrophobicContact CZ-CG2 3.78Å; V74-I76 HydrophobicContact CG1-CG1 4.16Å
75	P	36.9	Very low	48.2	Very low	105 Å²	105	117.8 Å²	117.8	68%	0.682	63%	0.63	S	S	*	*			trans	-97.1	107.4	168.2	23	-5.5	0	0	0	109	R73	R73-P75 VanDerWaalsContact O-CD 3.31Å; R73-P75 WeakPolarHBondContact O-CD 3.46Å
76	I	39.3	Very low	45.7	Very low	125 Å²	125	120.2 Å²	120.2	64%	0.641	65%	0.654	S	S	*	*			trans	-131.7	88.2	152.6	-47.5	176.9	0	0	0	107.2	V74	V74-I76 HydrophobicContact CG1-CG1 4.16Å
77	I	32	Very low	43.1	Very low	146 Å²	146	126.5 Å²	126.5	75%	0.749	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	128.3	172.6	-62.4	172.4	0	0	0	107.2
78	N	35.7	Very low	40.5	Very low	146 Å²	146	131.3 Å²	131.3	78%	0.781	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.8	38.6	172.8	-57.1	-18.4	0	0	0	117.2	N80	N78-N80 PolarHBondContact O-N 3.41Å; N78-N80 VanDerWaalsContact O-N 3.1Å
79	Y	36.3	Very low	37.8	Very low	186 Å²	186	136.2 Å²	136.2	73%	0.729	73%	0.726	S	S	*	*			trans	-73.9	98.4	164.9	-175	-103.4	0	0	0	110.9
80	N	30.3	Very low	35.5	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	73%	0.731	S	S	*	*			trans	-96.5	105.3	166.6	-75.3	-8.5	0	0	0	108.5	N78 S82	N78-N80 PolarHBondContact O-N 3.41Å; N78-N80 VanDerWaalsContact O-N 3.1Å; N80-S82 PolarHBondContact O-N 3.41Å
81	G	29	Very low	33.8	Very low	41 Å²	41	135.3 Å²	135.3	42%	0.423	74%	0.741	S	S	.	*			trans	-62.7	132.3	174.1	0	0	0	0	0	110.9	S83	G81-S83 PolarHBondContact O-N 3.49Å
82	S	29.7	Very low	32.8	Very low	132 Å²	132	140.6 Å²	140.6	92%	0.923	75%	0.746	S	S	*	*			trans	-57.5	97.3	178.7	-57.3	0	0	0	0	111.2	N80	N80-S82 PolarHBondContact O-N 3.41Å
83	S	28.7	Very low	32.7	Very low	105 Å²	105	145.8 Å²	145.8	73%	0.734	76%	0.763	S	S	*	*			trans	-90.1	130.5	161.8	-63.2	0	0	0	0	107.7	G81	G81-S83 PolarHBondContact O-N 3.49Å
84	N	28.7	Very low	32.7	Very low	148 Å²	148	143.4 Å²	143.4	79%	0.791	77%	0.767	S	S	*	*			trans	93.2	58.4	169.5	-57.8	-13.7	0	0	0	119
85	D	29.4	Very low	33.4	Very low	159 Å²	159	144 Å²	144	85%	0.85	77%	0.771	S	S	*	*			trans	-141.9	97.4	139.2	-110.4	-30.8	0	0	0	112.6	R87	D85-R87 VanDerWaalsContact C-N 3.34Å; D85-R87 PolarHBondContact O-N 2.85Å; D85-R87 VanDerWaalsContact O-N 3.12Å
86	V	30.5	Very low	34.7	Very low	134 Å²	134	142.4 Å²	142.4	81%	0.812	76%	0.762	S	S	*	*			trans	-81.7	81.6	175	-178	0	0	0	0	107.8
87	R	27.3	Very low	35.9	Very low	226 Å²	226	143.3 Å²	143.3	85%	0.853	76%	0.757	S	S	*	*			trans	-118.7	89.6	159.2	-79.4	-171.7	177.9	-175.2	1.5	109.1	D85 L89	D85-R87 VanDerWaalsContact C-N 3.34Å; D85-R87 PolarHBondContact O-N 2.85Å; D85-R87 VanDerWaalsContact O-N 3.12Å; R87-L89 PolarHBondContact O-N 3.37Å; R87-L89 VanDerWaalsContact O-N 3.13Å
88	V	28.8	Very low	37.9	Very low	117 Å²	117	141.6 Å²	141.6	71%	0.709	75%	0.754	S	S	*	*			trans	-74.9	101.6	170.9	-175.4	0	0	0	0	107.9	G90	V88-G90 PolarHBondContact O-N 2.94Å
89	L	27	Very low	39.8	Very low	173 Å²	173	135.8 Å²	135.8	91%	0.906	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	122.7	164.1	-74.3	165.2	0	0	0	108.4	R87	R87-L89 PolarHBondContact O-N 3.37Å; R87-L89 VanDerWaalsContact O-N 3.13Å
90	G	30.2	Very low	41.6	Very low	69 Å²	69	134.3 Å²	134.3	71%	0.711	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	135.5	6	169.1	0	0	0	0	0	117.8	V88 R92	V88-G90 PolarHBondContact O-N 2.94Å; G90-R92 PolarHBondContact O-N 2.92Å
91	V	31.7	Very low	43.9	Very low	132 Å²	132	129.4 Å²	129.4	80%	0.8	70%	0.702	S	S	*	*			trans	-68.5	102.7	173.7	-176.8	0	0	0	0	109.8
92	R	34.1	Very low	46.3	Very low	228 Å²	228	131.6 Å²	131.6	86%	0.86	70%	0.704	S	S	*	*			trans	-80.8	116.7	178.1	-127.3	-179.1	-176.4	178.7	3.5	109.3	G90	G90-R92 PolarHBondContact O-N 2.92Å
93	R	40.9	Very low	48.7	Very low	219 Å²	219	126.3 Å²	126.3	83%	0.826	67%	0.666	S	S	*	*			trans	-78.5	138.2	163.7	-70.7	-176.1	177.5	172.8	-0.6	109.2	T95	R93-T95 VanDerWaalsContact C-N 3.32Å; R93-T95 HydrophobicContact CB-CG2 4.36Å; R93-T95 PolarHBondContact O-N 2.99Å
94	N	40.7	Very low	51.3	Low	172 Å²	172	129.2 Å²	129.2	92%	0.92	67%	0.666	S	S	*	*			trans	-73.7	85.6	170.2	-99.1	-7.2	0	0	0	109
95	T	54.4	Low	53.7	Low	109 Å²	109	127.5 Å²	127.5	67%	0.669	65%	0.653	S	S	*	*			trans	-114.7	153.2	169	55.2	0	0	0	0	109.7	R93	R93-T95 VanDerWaalsContact C-N 3.32Å; R93-T95 HydrophobicContact CB-CG2 4.36Å; R93-T95 PolarHBondContact O-N 2.99Å
96	S	64.8	Low	55.8	Low	72 Å²	72	128.5 Å²	128.5	50%	0.503	65%	0.653	S	S	.	*			trans	-50.9	141.1	165.2	46.9	0	0	0	0	109.8	V98	S96-V98 PolarHBondContact O-N 3.18Å
97	R	63.2	Low	57.7	Low	143 Å²	143	128.3 Å²	128.3	54%	0.54	65%	0.647	S	S	.	*			trans	-63.1	125.5	174	-74.3	-173.4	175.6	-173	1.5	108.9	T128 V132	R97-T128 WeakPolarHBondContact CD-O 3.16Å; R97-T128 PolarHBondContact NE-O 2.71Å; R97-V132 HydrophobicContact CB-CG1 3.95Å; R97-V132 WeakPolarHBondContact O-CG1 3.41Å
98	V	75.3	Confident	60	Low	111 Å²	111	119 Å²	119	67%	0.673	62%	0.618	S	S	*	*			trans	-128.4	155.2	171	-171	0	0	0	0	107.2	S96	S96-V98 PolarHBondContact O-N 3.18Å
99	A	75.9	Confident	62.3	Low	23 Å²	23	114.6 Å²	114.6	19%	0.19	59%	0.591	C	S	.	*			trans	-59	140.4	169.8	0	0	0	0	0	109.7	H101 H133	A99-H101 VanDerWaalsContact C-N 3.32Å; A99-H101 WeakPolarHBondContact CB-O 3.42Å; A99-H133 HydrophobicContact CB-CB 4.11Å; A99-H133 VanDerWaalsContact CB-O 3.32Å; A99-H133 WeakPolarHBondContact CB-O 3.14Å
100	L	74.3	Confident	64.7	Low	156 Å²	156	108.6 Å²	108.6	82%	0.817	56%	0.561	S	S	*	*	S	Bend	trans	-69.4	-33.7	-179.1	-176.6	64.4	0	0	0	112.1
101	H	76.9	Confident	66.6	Low	49 Å²	49	107.8 Å²	107.8	23%	0.227	54%	0.54	C	S	.	.	S	Bend	trans	-123.3	155.4	174.4	-54.6	-77.3	0	0	0	109	A99 P103 V135 D137	A99-H101 VanDerWaalsContact C-N 3.32Å; A99-H101 WeakPolarHBondContact CB-O 3.42Å; H101-P103 VanDerWaalsContact O-CD 3.32Å; H101-P103 WeakPolarHBondContact O-CD 3.49Å; H101-V135 HydrophobicContact CB-CB 4.09Å; H101-V135 HydrophobicContact CB-CG1 4.12Å; H101-V135 WeakPolarHBondContact O-CG2 3.41Å; H101-D137 IonicContact CE1-OD2 2.71Å; H101-D137 IonicContact NE2-OD2 3.9Å
102	D	80.1	Confident	68.6	Low	86 Å²	86	105.7 Å²	105.7	46%	0.46	52%	0.519	S	S	.	.			trans	-68.7	117.9	-178.8	-171.3	-10.2	0	0	0	110.3	F104 E105	D102-F104 PolarHBondContact O-N 2.94Å; D102-F104 PolarHBondContact OD1-N 2.72Å; D102-E105 HydrophobicContact CB-CB 4.16Å
103	P	80.3	Confident	70.7	Confident	21 Å²	21	98.2 Å²	98.2	14%	0.136	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.8	177.8	29.5	-35.3	0	0	0	114	H101 V110 H133 V135	H101-P103 VanDerWaalsContact O-CD 3.32Å; H101-P103 WeakPolarHBondContact O-CD 3.49Å; P103-V110 HydrophobicContact CB-CG2 4Å; P103-H133 HydrophobicContact CB-CB 3.63Å; P103-H133 HydrophobicContact CG-CB 3.79Å; P103-V135 HydrophobicContact CB-CG2 3.57Å; P103-V135 HydrophobicContact CG-CG2 4.43Å
104	F	83	Confident	72.5	Confident	167 Å²	167	89.2 Å²	89.2	73%	0.732	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	2.3	-177.3	-52.9	-69.1	0	0	0	112.9	D102 H133	D102-F104 PolarHBondContact O-N 2.94Å; D102-F104 PolarHBondContact OD1-N 2.72Å; F104-H133 AromaticContact CZ-NE2 3.95Å
105	E	80	Confident	74.2	Confident	112 Å²	112	85.1 Å²	85.1	52%	0.523	45%	0.454	S	S	.	.	S	Bend	trans	-65.4	148.1	171.6	-165.1	174.3	-171.9	0	0	110.5	D102 D107 A108	D102-E105 HydrophobicContact CB-CB 4.16Å; E105-D107 PolarHBondContact O-N 3.33Å; E105-A108 HydrophobicContact CB-CB 4.38Å; E105-A108 WeakPolarHBondContact O-CB 3.3Å; E105-A108 PolarHBondContact O-N 3.09Å; E105-A108 VanDerWaalsContact O-N 3.1Å
106	E	73.6	Confident	75.2	Confident	180 Å²	180	89.6 Å²	89.6	84%	0.841	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	136.3	176.2	-164.6	173.2	-169.9	0	0	110.2	A108	E106-A108 PolarHBondContact O-N 3.32Å
107	D	69.3	Low	75.6	Confident	130 Å²	130	89.2 Å²	89.2	70%	0.695	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	15.4	-173.9	-64.1	-35	0	0	0	116.6	E105 L109	E105-D107 PolarHBondContact O-N 3.33Å; D107-L109 PolarHBondContact O-N 3.44Å
108	A	75.6	Confident	76.2	Confident	29 Å²	29	86.5 Å²	86.5	24%	0.24	46%	0.461	C	S	.	.			trans	-60.8	120.7	174.7	0	0	0	0	0	111.7	E105 E106 V110 V135	E105-A108 HydrophobicContact CB-CB 4.38Å; E105-A108 WeakPolarHBondContact O-CB 3.3Å; E105-A108 PolarHBondContact O-N 3.09Å; E105-A108 VanDerWaalsContact O-N 3.1Å; E106-A108 PolarHBondContact O-N 3.32Å; A108-V110 HydrophobicContact CB-CG2 4.46Å; A108-V110 PolarHBondContact O-N 3.01Å; A108-V135 HydrophobicContact CB-CG1 4.1Å
109	L	76.2	Confident	76.1	Confident	26 Å²	26	85.3 Å²	85.3	14%	0.136	46%	0.463	C	S	.	.			trans	-86.2	93.1	177.3	-179.1	63.3	0	0	0	110.3	D107 V136 L144 R149	D107-L109 PolarHBondContact O-N 3.44Å; L109-V136 HydrophobicContact CB-CB 4.14Å; L109-V136 HydrophobicContact CB-CG2 4.26Å; L109-V136 HydrophobicContact CD2-CB 4.1Å; L109-V136 HydrophobicContact CD2-CG2 3.73Å; L109-V136 HydrophobicContact CG-CB 4.3Å; L109-V136 HydrophobicContact CG-CG2 3.89Å; L109-V136 PolarHBondContact O-N 3.2Å; L109-L144 HydrophobicContact CD2-CD1 3.58Å; L109-R149 HydrophobicContact CD1-CB 4.33Å; L109-R149 WeakPolarHBondContact CD1-O 3.45Å; L109-R149 HydrophobicContact CD2-CB 4.49Å; L109-R149 HydrophobicContact CD2-CG 4.38Å
110	V	78.3	Confident	76	Confident	47 Å²	47	89.9 Å²	89.9	29%	0.285	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.6	-178.2	-171.1	0	0	0	0	111.3	P103 A108 Y112 S113 V134 V135	P103-V110 HydrophobicContact CB-CG2 4Å; A108-V110 HydrophobicContact CB-CG2 4.46Å; A108-V110 PolarHBondContact O-N 3.01Å; V110-Y112 WeakPolarHBondContact CG1-O 3.31Å; V110-S113 WeakPolarHBondContact CG1-OG 3.38Å; V110-V134 CarbonylContact C-O 3.56Å; V110-V135 HydrophobicContact CG2-CG2 4.33Å
111	L	69.3	Low	75.9	Confident	52 Å²	52	85.9 Å²	85.9	27%	0.272	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-28.8	175.9	-70	-174.3	0	0	0	112.7	V134 V136 R151	L111-V134 WeakPolarHBondContact CA-O 3.35Å; L111-V134 HydrophobicContact CB-CB 4.23Å; L111-V134 HydrophobicContact CB-CG1 4.06Å; L111-V134 WeakPolarHBondContact CB-O 3.39Å; L111-V134 HydrophobicContact CD1-CG1 4.3Å; L111-V134 PolarHBondContact N-O 3.42Å; L111-V136 HydrophobicContact CD1-CG2 3.62Å; L111-V136 HydrophobicContact CD2-CG2 3.97Å; L111-V136 HydrophobicContact CG-CG2 3.57Å; L111-R151 VanDerWaalsContact CB-NH2 3.3Å; L111-R151 PolarHBondContact O-NH1 3.26Å; L111-R151 PolarHBondContact O-NH2 2.87Å
112	Y	74.4	Confident	75.4	Confident	88 Å²	88	86 Å²	86	35%	0.345	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	133	178.3	173.3	-98.6	0	0	0	109.2	V110 P114 L131 V132 H133 V134	V110-Y112 WeakPolarHBondContact CG1-O 3.31Å; Y112-P114 HydrophobicContact CE1-CB 4.13Å; Y112-L131 HydrophobicContact CE1-CB 4.36Å; Y112-V132 WeakPolarHBondContact CD1-O 3.25Å; Y112-H133 CarbonylContact O-C 3.55Å; Y112-H133 VanDerWaalsContact O-CA 3.22Å; Y112-H133 WeakPolarHBondContact O-CA 3.27Å; Y112-V134 HydrophobicContact CD1-CG2 4.31Å; Y112-V134 PolarHBondContact N-O 3.03Å; Y112-V134 PolarHBondContact O-N 2.88Å
113	S	78.8	Confident	74.8	Confident	70 Å²	70	89.2 Å²	89.2	49%	0.49	49%	0.485	S	S	.	.			trans	-113.1	126.8	168.5	-63.8	0	0	0	0	108.3	V110 H133	V110-S113 WeakPolarHBondContact CG1-OG 3.38Å; S113-H133 PolarHBondContact OG-ND1 3.4Å
114	P	78.3	Confident	74.4	Confident	31 Å²	31	95.4 Å²	95.4	20%	0.201	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-61.4	148.4	174.2	26.6	-32.8	0	0	0	110.6	Y112 L131	Y112-P114 HydrophobicContact CE1-CB 4.13Å; P114-L131 HydrophobicContact CB-CB 3.75Å
115	P	77.2	Confident	73.5	Confident	85 Å²	85	91.5 Å²	91.5	55%	0.552	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-58.4	146.9	174	-19.5	30.2	0	0	0	111.2	V117	P115-V117 VanDerWaalsContact O-CG2 3.23Å; P115-V117 WeakPolarHBondContact O-CG2 3.48Å; P115-V117 PolarHBondContact O-N 2.93Å
116	E	73.6	Confident	72.9	Confident	204 Å²	204	91.3 Å²	91.3	95%	0.953	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-62.6	124.4	170.1	-68.7	-176.2	179.9	0	0	109.5
117	V	73.6	Confident	72.5	Confident	64 Å²	64	85.7 Å²	85.7	39%	0.388	48%	0.478	S	S	.	.			trans	-113.5	134.6	-179.8	-155.2	0	0	0	0	107.2	P115 D121	P115-V117 VanDerWaalsContact O-CG2 3.23Å; P115-V117 WeakPolarHBondContact O-CG2 3.48Å; P115-V117 PolarHBondContact O-N 2.93Å; V117-D121 HydrophobicContact CG1-CB 3.45Å; V117-D121 VanDerWaalsContact CG1-CB 3.45Å
118	T	75.8	Confident	72.3	Confident	86 Å²	86	83.9 Å²	83.9	53%	0.528	47%	0.471	S	S	.	.			trans	-60.3	151.5	173.9	64.9	0	0	0	0	110.3	H120 D121 A122	T118-H120 PolarHBondContact O-N 3.28Å; T118-H120 VanDerWaalsContact O-N 3.11Å; T118-D121 PolarHBondContact O-N 3.03Å; T118-D121 PolarHBondContact OG1-N 3.33Å; T118-D121 PolarHBondContact OG1-OD2 2.83Å; T118-D121 VanDerWaalsContact OG1-OD2 3.11Å; T118-A122 PolarHBondContact O-N 3Å
119	A	72.9	Confident	72	Confident	85 Å²	85	89.4 Å²	89.4	70%	0.702	49%	0.49	S	S	*	.	H	α-helix	trans	-54.9	-34	-178.9	0	0	0	0	0	112.7	L123	A119-L123 PolarHBondContact O-N 2.87Å
120	H	75.2	Confident	71.8	Confident	119 Å²	119	93.7 Å²	93.7	55%	0.551	51%	0.507	S	S	*	.	H	α-helix	trans	-69.1	-43.4	177.1	179.3	-97.2	0	0	0	112.8	T118 A122 L123 K124	T118-H120 PolarHBondContact O-N 3.28Å; T118-H120 VanDerWaalsContact O-N 3.11Å; H120-A122 VanDerWaalsContact C-N 3.35Å; H120-L123 PolarHBondContact O-N 2.79Å; H120-K124 WeakPolarHBondContact CE1-CE 3.48Å; H120-K124 PolarHBondContact CE1-NZ 3.27Å
121	D	71.4	Confident	71.8	Confident	72 Å²	72	95.9 Å²	95.9	39%	0.385	52%	0.517	S	S	.	.	H	α-helix	trans	-72.8	-29.7	178.5	-72.8	-23.8	0	0	0	112.1	V117 T118 L123 K124	V117-D121 HydrophobicContact CG1-CB 3.45Å; V117-D121 VanDerWaalsContact CG1-CB 3.45Å; T118-D121 PolarHBondContact O-N 3.03Å; T118-D121 PolarHBondContact OG1-N 3.33Å; T118-D121 PolarHBondContact OG1-OD2 2.83Å; T118-D121 VanDerWaalsContact OG1-OD2 3.11Å; D121-L123 VanDerWaalsContact C-N 3.29Å; D121-L123 PolarHBondContact O-N 3.33Å; D121-K124 PolarHBondContact O-N 3.3Å
122	A	66.2	Low	72.4	Confident	52 Å²	52	95.1 Å²	95.1	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-62	-34.7	173.6	0	0	0	0	0	112.6	T118 H120 K124	T118-A122 PolarHBondContact O-N 3Å; H120-A122 VanDerWaalsContact C-N 3.35Å; A122-K124 VanDerWaalsContact C-N 3.33Å
123	L	67.9	Low	72.7	Confident	154 Å²	154	93 Å²	93	81%	0.806	51%	0.508	S	S	*	.	H	α-helix	trans	-71.2	-25.5	176.3	-71.4	167.8	0	0	0	113.1	A119 H120 D121	A119-L123 PolarHBondContact O-N 2.87Å; H120-L123 PolarHBondContact O-N 2.79Å; D121-L123 VanDerWaalsContact C-N 3.29Å; D121-L123 PolarHBondContact O-N 3.33Å
124	K	72.1	Confident	72.6	Confident	150 Å²	150	93 Å²	93	65%	0.652	51%	0.505	S	S	*	.	H	α-helix	trans	-80.2	-14.7	178.9	-70.6	-177.8	176.4	179.2	0	113.6	H120 D121 A122	H120-K124 WeakPolarHBondContact CE1-CE 3.48Å; H120-K124 PolarHBondContact CE1-NZ 3.27Å; D121-K124 PolarHBondContact O-N 3.3Å; A122-K124 VanDerWaalsContact C-N 3.33Å
125	Q	64.1	Low	72.5	Confident	86 Å²	86	92.4 Å²	92.4	40%	0.402	50%	0.5	S	S	.	.	S	Bend	trans	-82.1	133.9	-176.9	-71.2	-177.7	-0.1	0	0	111.9	A127	Q125-A127 PolarHBondContact O-N 3.17Å
126	E	66.8	Low	72.2	Confident	108 Å²	108	89.4 Å²	89.4	51%	0.505	48%	0.48	S	S	.	.			trans	-61.6	130.6	170	-72.1	176.5	169	0	0	110.6	T128 K129 K130	E126-T128 PolarHBondContact O-N 3.06Å; E126-K129 HydrophobicContact CB-CB 4.34Å; E126-K129 HydrophobicContact CB-CG 4.48Å; E126-K129 PolarHBondContact O-N 2.79Å; E126-K129 IonicContact OE1-NZ 3.29Å; E126-K129 VanDerWaalsContact OE2-CD 3.23Å; E126-K129 WeakPolarHBondContact OE2-CD 3.23Å; E126-K129 WeakPolarHBondContact OE2-CE 3.3Å; E126-K129 IonicContact OE2-NZ 2.78Å; E126-K129 PolarHBondContact OE2-NZ 2.85Å; E126-K130 PolarHBondContact O-N 3.23Å
127	A	65.9	Low	72.2	Confident	62 Å²	62	82.6 Å²	82.6	51%	0.512	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.5	-177.6	0	0	0	0	0	114.1	Q125	Q125-A127 PolarHBondContact O-N 3.17Å
128	T	64.8	Low	72.2	Confident	91 Å²	91	81.5 Å²	81.5	56%	0.558	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-19.9	177.3	50	0	0	0	0	113.7	R97 E126	R97-T128 WeakPolarHBondContact CD-O 3.16Å; R97-T128 PolarHBondContact NE-O 2.71Å; E126-T128 PolarHBondContact O-N 3.06Å
129	K	68.8	Low	72	Confident	145 Å²	145	84 Å²	84	63%	0.63	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-2.2	179	-69.1	-177.7	-176.9	144.1	0	113.7	E126 L131	E126-K129 HydrophobicContact CB-CB 4.34Å; E126-K129 HydrophobicContact CB-CG 4.48Å; E126-K129 PolarHBondContact O-N 2.79Å; E126-K129 IonicContact OE1-NZ 3.29Å; E126-K129 VanDerWaalsContact OE2-CD 3.23Å; E126-K129 WeakPolarHBondContact OE2-CD 3.23Å; E126-K129 WeakPolarHBondContact OE2-CE 3.3Å; E126-K129 IonicContact OE2-NZ 2.78Å; E126-K129 PolarHBondContact OE2-NZ 2.85Å; K129-L131 PolarHBondContact O-N 3.27Å
130	K	72.7	Confident	71.7	Confident	116 Å²	116	84.2 Å²	84.2	50%	0.504	44%	0.441	S	S	.	.			trans	-53.1	124	174.7	-171.5	175.2	-179.2	178.5	0	110.7	E126	E126-K130 PolarHBondContact O-N 3.23Å
131	L	79	Confident	71.3	Confident	93 Å²	93	78.9 Å²	78.9	49%	0.487	42%	0.417	S	S	.	.			trans	-72.4	134.9	172.1	-66.4	165.8	0	0	0	108.4	Y112 P114 K129	Y112-L131 HydrophobicContact CE1-CB 4.36Å; P114-L131 HydrophobicContact CB-CB 3.75Å; K129-L131 PolarHBondContact O-N 3.27Å
132	V	81	Confident	71.3	Confident	36 Å²	36	83 Å²	83	22%	0.218	43%	0.431	C	S	.	.			trans	-126.8	156.8	-177.6	-68.9	0	0	0	0	110	R97 Y112 V134	R97-V132 HydrophobicContact CB-CG1 3.95Å; R97-V132 WeakPolarHBondContact O-CG1 3.41Å; Y112-V132 WeakPolarHBondContact CD1-O 3.25Å; V132-V134 PolarHBondContact O-N 3.37Å
133	H	80.5	Confident	71.4	Confident	44 Å²	44	86.7 Å²	86.7	20%	0.204	44%	0.443	C	S	.	.			trans	-59.1	138.5	173.1	-64.8	-94.7	0	0	0	110.4	A99 P103 F104 Y112 S113 V135	A99-H133 HydrophobicContact CB-CB 4.11Å; A99-H133 VanDerWaalsContact CB-O 3.32Å; A99-H133 WeakPolarHBondContact CB-O 3.14Å; P103-H133 HydrophobicContact CB-CB 3.63Å; P103-H133 HydrophobicContact CG-CB 3.79Å; F104-H133 AromaticContact CZ-NE2 3.95Å; Y112-H133 CarbonylContact O-C 3.55Å; Y112-H133 VanDerWaalsContact O-CA 3.22Å; Y112-H133 WeakPolarHBondContact O-CA 3.27Å; S113-H133 PolarHBondContact OG-ND1 3.4Å; H133-V135 HydrophobicContact CB-CG2 4.12Å
134	V	76.8	Confident	71.1	Confident	71 Å²	71	81.6 Å²	81.6	43%	0.43	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.9	170.5	-177.8	0	0	0	0	106.6	V110 L111 Y112 V132	V110-V134 CarbonylContact C-O 3.56Å; L111-V134 WeakPolarHBondContact CA-O 3.35Å; L111-V134 HydrophobicContact CB-CB 4.23Å; L111-V134 HydrophobicContact CB-CG1 4.06Å; L111-V134 WeakPolarHBondContact CB-O 3.39Å; L111-V134 HydrophobicContact CD1-CG1 4.3Å; L111-V134 PolarHBondContact N-O 3.42Å; Y112-V134 HydrophobicContact CD1-CG2 4.31Å; Y112-V134 PolarHBondContact N-O 3.03Å; Y112-V134 PolarHBondContact O-N 2.88Å; V132-V134 PolarHBondContact O-N 3.37Å
135	V	76.2	Confident	70.5	Confident	17 Å²	17	82.7 Å²	82.7	10%	0.103	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.6	-178	-168.5	0	0	0	0	107.8	H101 P103 A108 V110 H133	H101-V135 HydrophobicContact CB-CB 4.09Å; H101-V135 HydrophobicContact CB-CG1 4.12Å; H101-V135 WeakPolarHBondContact O-CG2 3.41Å; P103-V135 HydrophobicContact CB-CG2 3.57Å; P103-V135 HydrophobicContact CG-CG2 4.43Å; A108-V135 HydrophobicContact CB-CG1 4.1Å; V110-V135 HydrophobicContact CG2-CG2 4.33Å; H133-V135 HydrophobicContact CB-CG2 4.12Å
136	V	71.4	Confident	70.3	Confident	23 Å²	23	83.1 Å²	83.1	14%	0.139	43%	0.426	C	S	.	.			trans	-69.8	140.1	172.6	-175.9	0	0	0	0	108.5	L109 L111 L140 L144	L109-V136 HydrophobicContact CB-CB 4.14Å; L109-V136 HydrophobicContact CB-CG2 4.26Å; L109-V136 HydrophobicContact CD2-CB 4.1Å; L109-V136 HydrophobicContact CD2-CG2 3.73Å; L109-V136 HydrophobicContact CG-CB 4.3Å; L109-V136 HydrophobicContact CG-CG2 3.89Å; L109-V136 PolarHBondContact O-N 3.2Å; L111-V136 HydrophobicContact CD1-CG2 3.62Å; L111-V136 HydrophobicContact CD2-CG2 3.97Å; L111-V136 HydrophobicContact CG-CG2 3.57Å; V136-L140 HydrophobicContact CG1-CB 3.86Å; V136-L144 HydrophobicContact CG1-CD1 4.22Å
137	D	72.8	Confident	69.8	Low	60 Å²	60	83.6 Å²	83.6	32%	0.321	43%	0.428	S	S	.	.			trans	-46.8	126.5	171.3	-174.3	-48.9	0	0	0	110.5	H101 M139 L140 S141	H101-D137 IonicContact CE1-OD2 2.71Å; H101-D137 IonicContact NE2-OD2 3.9Å; D137-M139 PolarHBondContact O-N 2.89Å; D137-M139 VanDerWaalsContact O-N 3.16Å; D137-M139 WeakPolarHBondContact OD1-CA 3.37Å; D137-M139 VanDerWaalsContact OD1-CB 3.29Å; D137-M139 WeakPolarHBondContact OD1-CB 3.28Å; D137-M139 PolarHBondContact OD1-N 3.31Å; D137-L140 HydrophobicContact CB-CB 4.13Å; D137-L140 HydrophobicContact CB-CD1 3.99Å; D137-L140 HydrophobicContact CB-CG 4.06Å; D137-L140 WeakPolarHBondContact O-CA 3.41Å; D137-L140 WeakPolarHBondContact O-CB 3.24Å; D137-L140 PolarHBondContact O-N 3.34Å; D137-S141 PolarHBondContact O-N 3.26Å
138	P	74.9	Confident	69.5	Low	41 Å²	41	85.1 Å²	85.1	27%	0.266	42%	0.424	S	S	.	.	H	α-helix	trans	-55.4	-29.5	179.8	-27.2	34.6	0	0	0	114.4	S141 K142	P138-S141 PolarHBondContact O-OG 3.12Å; P138-K142 WeakPolarHBondContact O-CG 3.49Å; P138-K142 PolarHBondContact O-N 2.67Å
139	M	71.6	Confident	69.1	Low	139 Å²	139	85.8 Å²	85.8	69%	0.685	42%	0.417	S	S	*	.	H	α-helix	trans	-73	-37.2	174.8	-68	-69.8	-77.2	0	0	111.7	D137	D137-M139 PolarHBondContact O-N 2.89Å; D137-M139 VanDerWaalsContact O-N 3.16Å; D137-M139 WeakPolarHBondContact OD1-CA 3.37Å; D137-M139 VanDerWaalsContact OD1-CB 3.29Å; D137-M139 WeakPolarHBondContact OD1-CB 3.28Å; D137-M139 PolarHBondContact OD1-N 3.31Å
140	L	65.2	Low	68.4	Low	90 Å²	90	83.6 Å²	83.6	47%	0.471	41%	0.409	S	S	.	.	H	α-helix	trans	-69.6	-41.7	173.4	-71.5	176.1	0	0	0	111.1	V136 D137 K142 I143 L144	V136-L140 HydrophobicContact CG1-CB 3.86Å; D137-L140 HydrophobicContact CB-CB 4.13Å; D137-L140 HydrophobicContact CB-CD1 3.99Å; D137-L140 HydrophobicContact CB-CG 4.06Å; D137-L140 WeakPolarHBondContact O-CA 3.41Å; D137-L140 WeakPolarHBondContact O-CB 3.24Å; D137-L140 PolarHBondContact O-N 3.34Å; L140-K142 PolarHBondContact O-N 2.84Å; L140-K142 VanDerWaalsContact O-N 3.15Å; L140-I143 HydrophobicContact CD2-CD1 4.04Å; L140-I143 WeakPolarHBondContact O-CG1 3.4Å; L140-I143 PolarHBondContact O-N 3.13Å; L140-L144 WeakPolarHBondContact O-CG 3.21Å; L140-L144 PolarHBondContact O-N 3.19Å; L140-L144 VanDerWaalsContact O-N 3.14Å
141	S	67.6	Low	67.4	Low	6 Å²	6	86.2 Å²	86.2	4%	0.042	42%	0.416	C	S	.	.	H	α-helix	trans	-59.8	-28.7	-177.3	83.4	0	0	0	0	113	D137 P138 R149	D137-S141 PolarHBondContact O-N 3.26Å; P138-S141 PolarHBondContact O-OG 3.12Å; S141-R149 PolarHBondContact O-NE 2.96Å; S141-R149 PolarHBondContact O-NH2 3.16Å
142	K	72.1	Confident	66	Low	159 Å²	159	85.8 Å²	85.8	69%	0.691	41%	0.411	S	S	*	.	H	α-helix	trans	-72.9	-25.4	175.7	-72.8	173.9	-176.2	178.6	0	114.2	P138 L140	P138-K142 WeakPolarHBondContact O-CG 3.49Å; P138-K142 PolarHBondContact O-N 2.67Å; L140-K142 PolarHBondContact O-N 2.84Å; L140-K142 VanDerWaalsContact O-N 3.15Å
143	I	67.2	Low	64.5	Low	130 Å²	130	84.5 Å²	84.5	67%	0.667	41%	0.405	S	S	*	.	H	α-helix	trans	-102	-6.6	179.5	63.5	165.4	0	0	0	113.3	L140	L140-I143 HydrophobicContact CD2-CD1 4.04Å; L140-I143 WeakPolarHBondContact O-CG1 3.4Å; L140-I143 PolarHBondContact O-N 3.13Å
144	L	61.6	Low	63.2	Low	46 Å²	46	88.2 Å²	88.2	24%	0.241	43%	0.433	C	S	.	.	S	Bend	trans	-69.6	134.8	174.6	-73.1	-179.4	0	0	0	110.7	L109 V136 L140 Q148 R149	L109-L144 HydrophobicContact CD2-CD1 3.58Å; V136-L144 HydrophobicContact CG1-CD1 4.22Å; L140-L144 WeakPolarHBondContact O-CG 3.21Å; L140-L144 PolarHBondContact O-N 3.19Å; L140-L144 VanDerWaalsContact O-N 3.14Å; L144-Q148 HydrophobicContact CB-CB 4.08Å; L144-Q148 HydrophobicContact CD2-CB 4.07Å; L144-Q148 HydrophobicContact CG-CB 4.44Å; L144-R149 HydrophobicContact CB-CG 3.95Å
145	R	60.7	Low	62.2	Low	174 Å²	174	92.3 Å²	92.3	66%	0.657	45%	0.448	S	S	*	.			trans	-66.9	154.7	175.3	-58.7	-176.5	-165.9	-169.2	6.8	109.9	H147 Q148 R149	R145-H147 VanDerWaalsContact C-N 3.31Å; R145-H147 PolarHBondContact O-N 3.28Å; R145-H147 VanDerWaalsContact O-N 3.13Å; R145-Q148 HydrophobicContact CB-CG 4.45Å; R145-Q148 WeakPolarHBondContact O-CA 3.33Å; R145-Q148 WeakPolarHBondContact O-CB 3.27Å; R145-Q148 PolarHBondContact O-N 3.1Å; R145-R149 PolarHBondContact O-N 3.12Å
146	P	59.8	Low	61.2	Low	94 Å²	94	93.4 Å²	93.4	61%	0.61	46%	0.462	S	S	*	.	H	α-helix	trans	-48.3	-46.6	-175.8	-30.8	35.5	0	0	0	114.6	Q148 R149 E150	P146-Q148 PolarHBondContact O-N 3.13Å; P146-Q148 VanDerWaalsContact O-N 3.16Å; P146-R149 WeakPolarHBondContact O-CB 3.25Å; P146-R149 PolarHBondContact O-N 2.76Å; P146-E150 PolarHBondContact O-N 3.47Å
147	H	55.6	Low	60.9	Low	119 Å²	119	98.9 Å²	98.9	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-68.4	-12.2	178.4	70.7	-93.1	0	0	0	115.2	R145 E150	R145-H147 VanDerWaalsContact C-N 3.31Å; R145-H147 PolarHBondContact O-N 3.28Å; R145-H147 VanDerWaalsContact O-N 3.13Å; H147-E150 VanDerWaalsContact O-O 3.14Å
148	Q	58.9	Low	60.7	Low	93 Å²	93	100.1 Å²	100.1	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-88.4	-23.6	172.1	-60.6	179.3	-65.5	0	0	111.5	L144 R145 P146	L144-Q148 HydrophobicContact CB-CB 4.08Å; L144-Q148 HydrophobicContact CD2-CB 4.07Å; L144-Q148 HydrophobicContact CG-CB 4.44Å; R145-Q148 HydrophobicContact CB-CG 4.45Å; R145-Q148 WeakPolarHBondContact O-CA 3.33Å; R145-Q148 WeakPolarHBondContact O-CB 3.27Å; R145-Q148 PolarHBondContact O-N 3.1Å; P146-Q148 PolarHBondContact O-N 3.13Å; P146-Q148 VanDerWaalsContact O-N 3.16Å
149	R	56.7	Low	60.8	Low	105 Å²	105	102.5 Å²	102.5	40%	0.396	51%	0.505	S	S	.	.	H	α-helix	trans	-81.1	-43.4	175.3	-57.6	176.6	108.5	-153.8	-3	110	L109 S141 L144 R145 P146 R151	L109-R149 HydrophobicContact CD1-CB 4.33Å; L109-R149 WeakPolarHBondContact CD1-O 3.45Å; L109-R149 HydrophobicContact CD2-CB 4.49Å; L109-R149 HydrophobicContact CD2-CG 4.38Å; S141-R149 PolarHBondContact O-NE 2.96Å; S141-R149 PolarHBondContact O-NH2 3.16Å; L144-R149 HydrophobicContact CB-CG 3.95Å; R145-R149 PolarHBondContact O-N 3.12Å; P146-R149 WeakPolarHBondContact O-CB 3.25Å; P146-R149 PolarHBondContact O-N 2.76Å; R149-R151 PolarHBondContact O-N 3.04Å
150	E	55.3	Low	61.4	Low	100 Å²	100	98.9 Å²	98.9	47%	0.467	49%	0.487	S	S	.	.	S	Bend	trans	-79.1	103.1	174.2	-59.4	170.3	-169.9	0	0	108.9	P146 H147 Q152	P146-E150 PolarHBondContact O-N 3.47Å; H147-E150 VanDerWaalsContact O-O 3.14Å; E150-Q152 CarbonylContact C-O 3.59Å; E150-Q152 VanDerWaalsContact CB-O 3.23Å; E150-Q152 WeakPolarHBondContact CB-O 3.23Å; E150-Q152 PolarHBondContact O-N 3.15Å
151	R	50.1	Low	62.3	Low	171 Å²	171	98 Å²	98	65%	0.645	48%	0.484	S	S	*	.	S	Bend	trans	-59.5	-10.3	177.1	-92.6	-172.8	164.8	-155.4	-0.4	114.2	L111 R149	L111-R151 VanDerWaalsContact CB-NH2 3.3Å; L111-R151 PolarHBondContact O-NH1 3.26Å; L111-R151 PolarHBondContact O-NH2 2.87Å; R149-R151 PolarHBondContact O-N 3.04Å
152	Q	51.2	Low	63.4	Low	83 Å²	83	98.4 Å²	98.4	39%	0.388	48%	0.484	S	S	.	.	S	Bend	trans	-141.1	157.4	-176.4	-72.2	163.2	-3.5	0	0	106.9	E150 G156	E150-Q152 CarbonylContact C-O 3.59Å; E150-Q152 VanDerWaalsContact CB-O 3.23Å; E150-Q152 WeakPolarHBondContact CB-O 3.23Å; E150-Q152 PolarHBondContact O-N 3.15Å; Q152-G156 VanDerWaalsContact CB-C 3.42Å; Q152-G156 VanDerWaalsContact OE1-C 3.27Å; Q152-G156 VanDerWaalsContact OE1-CA 3.29Å; Q152-G156 PolarHBondContact OE1-O 3.14Å
153	G	49.4	Very low	64.5	Low	9 Å²	9	91.4 Å²	91.4	9%	0.093	46%	0.456	C	S	.	.			trans	-58.5	-179.3	174.3	0	0	0	0	0	112.5	E155 G156 K157	G153-E155 PolarHBondContact O-N 3.5Å; G153-G156 PolarHBondContact O-N 2.96Å; G153-K157 WeakPolarHBondContact CA-O 3.28Å; G153-K157 PolarHBondContact N-O 2.99Å
154	P	52.2	Low	65.9	Low	122 Å²	122	85.2 Å²	85.2	79%	0.792	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-25.8	-173.8	-27	32.9	0	0	0	114.8
155	E	55.9	Low	67.6	Low	158 Å²	158	83.2 Å²	83.2	74%	0.738	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	13.9	-178.2	-57.4	-175.7	177.4	0	0	114.7	G153 K157	G153-E155 PolarHBondContact O-N 3.5Å; E155-K157 PolarHBondContact O-N 3.01Å
156	G	55.5	Low	69.3	Low	39 Å²	39	75 Å²	75	40%	0.402	38%	0.383	S	S	.	.	S	Bend	trans	69.4	16.4	-176	0	0	0	0	0	113.8	Q152 G153	Q152-G156 VanDerWaalsContact CB-C 3.42Å; Q152-G156 VanDerWaalsContact OE1-C 3.27Å; Q152-G156 VanDerWaalsContact OE1-CA 3.29Å; Q152-G156 PolarHBondContact OE1-O 3.14Å; G153-G156 PolarHBondContact O-N 2.96Å
157	K	65.3	Low	70.8	Confident	138 Å²	138	70.5 Å²	70.5	60%	0.6	35%	0.354	S	S	*	.	S	Bend	trans	-118.2	147.2	173.9	-66.8	175.3	-172.4	164.6	0	110.2	G153 E155 I159	G153-K157 WeakPolarHBondContact CA-O 3.28Å; G153-K157 PolarHBondContact N-O 2.99Å; E155-K157 PolarHBondContact O-N 3.01Å; K157-I159 PolarHBondContact O-N 3.37Å
158	P	68.3	Low	72.4	Confident	86 Å²	86	65.7 Å²	65.7	56%	0.558	33%	0.333	S	S	*	.			trans	-59.5	132	174.6	26	-33.5	0	0	0	110	I160	P158-I160 PolarHBondContact O-N 2.81Å
159	I	76.2	Confident	73.6	Confident	91 Å²	91	63.4 Å²	63.4	47%	0.467	33%	0.327	S	S	.	.	S	Bend	trans	-61.6	-33.3	179.8	-59.6	175.2	0	0	0	111.1	K157 R268	K157-I159 PolarHBondContact O-N 3.37Å; I159-R268 PolarHBondContact O-NH1 3.16Å
160	I	83.9	Confident	74.6	Confident	63 Å²	63	60.4 Å²	60.4	32%	0.323	32%	0.323	S	S	.	.			trans	-131.4	123.2	178.7	-61.3	158.7	0	0	0	106.9	P158 K162 A163 L241	P158-I160 PolarHBondContact O-N 2.81Å; I160-K162 WeakPolarHBondContact CG2-O 3.38Å; I160-A163 HydrophobicContact CG2-CB 4.29Å; I160-L241 HydrophobicContact CD1-CB 3.86Å; I160-L241 HydrophobicContact CD1-CD2 3.7Å; I160-L241 HydrophobicContact CD1-CG 4.36Å; I160-L241 HydrophobicContact CG1-CB 4.21Å; I160-L241 HydrophobicContact CG2-CB 4.02Å
161	D	85.1	Confident	75.9	Confident	73 Å²	73	56 Å²	56	39%	0.39	30%	0.302	S	S	.	.	S	Bend	trans	-90.1	-45.5	175.4	61.5	-25.4	0	0	0	111.2	I215 P218	D161-I215 HydrophobicContact CB-CD1 3.9Å; D161-P218 WeakPolarHBondContact O-CB 3.28Å
162	K	90.9	Very high	77.8	Confident	13 Å²	13	47.9 Å²	47.9	6%	0.057	27%	0.272	C	S	.	.			trans	-131	141	179	-69.6	177.6	-66.7	-156.2	0	111.1	I160 F207 L208 Q210 I215 P218 V239 G240 L241	I160-K162 WeakPolarHBondContact CG2-O 3.38Å; K162-F207 HydrophobicContact CB-CZ 3.97Å; K162-F207 HydrophobicContact CD-CZ 4.33Å; K162-F207 HydrophobicContact CG-CE2 4.48Å; K162-F207 HydrophobicContact CG-CZ 4.27Å; K162-L208 PolarHBondContact NZ-O 2.9Å; K162-Q210 PolarHBondContact NZ-O 3.36Å; K162-I215 HydrophobicContact CD-CD1 4.33Å; K162-I215 HydrophobicContact CG-CD1 3.82Å; K162-I215 HydrophobicContact CG-CG2 4.44Å; K162-P218 CarbonylContact C-O 3.57Å; K162-P218 VanDerWaalsContact CA-O 3.28Å; K162-P218 WeakPolarHBondContact CA-O 3.26Å; K162-V239 HydrophobicContact CB-CG1 4.42Å; K162-V239 WeakPolarHBondContact O-CG1 3.37Å; K162-G240 PolarHBondContact O-N 3.13Å; K162-L241 PolarHBondContact O-N 3.37Å
163	A	94.2	Very high	79.4	Confident	13 Å²	13	49.7 Å²	49.7	11%	0.107	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.8	175.4	0	0	0	0	0	111.6	I160 P218 I219 L220 L241	I160-A163 HydrophobicContact CG2-CB 4.29Å; A163-P218 PolarHBondContact N-O 2.94Å; A163-I219 WeakPolarHBondContact O-CA 3.34Å; A163-L220 PolarHBondContact O-N 3.36Å; A163-L241 CarbonylContact C-O 3.54Å; A163-L241 VanDerWaalsContact CA-O 3.26Å; A163-L241 WeakPolarHBondContact CA-O 3.17Å; A163-L241 HydrophobicContact CB-CB 4.22Å
164	V	96.8	Very high	81	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.7	173.8	176.3	0	0	0	0	109.1	V166 F207 L220 I222 F227 V239 L241 V242 L243	V164-V166 HydrophobicContact CG1-CG2 3.82Å; V164-F207 HydrophobicContact CG2-CE1 4.04Å; V164-F207 HydrophobicContact CG2-CZ 4.4Å; V164-L220 CarbonylContact C-O 3.55Å; V164-L220 WeakPolarHBondContact CA-O 3.35Å; V164-L220 HydrophobicContact CG1-CD2 4.33Å; V164-L220 HydrophobicContact CG2-CB 4.2Å; V164-L220 HydrophobicContact CG2-CD2 4.09Å; V164-I222 HydrophobicContact CG1-CG2 3.99Å; V164-F227 HydrophobicContact CG1-CD2 4.49Å; V164-F227 HydrophobicContact CG1-CE2 4.37Å; V164-V239 HydrophobicContact CB-CG1 4.31Å; V164-V239 HydrophobicContact CG2-CB 4.34Å; V164-V239 HydrophobicContact CG2-CG1 3.73Å; V164-V239 HydrophobicContact CG2-CG2 3.8Å; V164-L241 PolarHBondContact N-O 3.21Å; V164-V242 HydrophobicContact CB-CG2 4.43Å; V164-V242 CarbonylContact O-C 3.55Å; V164-V242 VanDerWaalsContact O-CA 3.28Å; V164-V242 WeakPolarHBondContact O-CA 3.38Å; V164-L243 PolarHBondContact O-N 3.44Å
165	I	97.3	Very high	82.9	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.2	173.8	-61.4	172.9	0	0	0	107.1	W175 F179 I219 L220 I221 I222 L243	I165-W175 HydrophobicContact CD1-CE3 3.95Å; I165-W175 HydrophobicContact CD1-CZ3 4.07Å; I165-W175 HydrophobicContact CG2-CD2 4.01Å; I165-W175 HydrophobicContact CG2-CE3 4.37Å; I165-W175 HydrophobicContact CG2-CG 4.3Å; I165-W175 HydrophobicContact CG2-CZ2 4.47Å; I165-F179 HydrophobicContact CD1-CE2 3.46Å; I165-F179 VanDerWaalsContact CD1-CE2 3.46Å; I165-F179 HydrophobicContact CD1-CZ 3.5Å; I165-F179 VanDerWaalsContact CD1-CZ 3.5Å; I165-I219 HydrophobicContact CD1-CG2 3.82Å; I165-I219 HydrophobicContact CG1-CG2 4.32Å; I165-L220 PolarHBondContact N-O 2.93Å; I165-I221 HydrophobicContact CB-CG1 4.44Å; I165-I221 HydrophobicContact CB-CG2 4.41Å; I165-I221 HydrophobicContact CD1-CG1 4.48Å; I165-I221 HydrophobicContact CG2-CG2 4.36Å; I165-I221 WeakPolarHBondContact O-CA 3.3Å; I165-I222 PolarHBondContact O-N 2.74Å; I165-L243 CarbonylContact C-O 3.51Å; I165-L243 WeakPolarHBondContact CA-O 3.41Å; I165-L243 HydrophobicContact CG1-CB 4.28Å; I165-L243 HydrophobicContact CG1-CD1 4.01Å
166	V	96	Very high	84.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.3	176.9	-167.6	0	0	0	0	107.4	V164 I222 Y224 F227 V242 L243 C244 D245 L261	V164-V166 HydrophobicContact CG1-CG2 3.82Å; V166-I222 WeakPolarHBondContact CA-O 3.46Å; V166-I222 HydrophobicContact CG2-CG2 4.13Å; V166-Y224 HydrophobicContact CB-CE1 4.29Å; V166-Y224 HydrophobicContact CG1-CD1 3.41Å; V166-Y224 VanDerWaalsContact CG1-CD1 3.41Å; V166-Y224 HydrophobicContact CG1-CD2 4.09Å; V166-Y224 HydrophobicContact CG1-CE1 3.59Å; V166-Y224 HydrophobicContact CG1-CE2 4.24Å; V166-Y224 HydrophobicContact CG1-CG 3.69Å; V166-F227 HydrophobicContact CG1-CB 4.39Å; V166-F227 HydrophobicContact CG2-CD2 3.88Å; V166-F227 HydrophobicContact CG2-CE2 4.31Å; V166-V242 HydrophobicContact CG2-CG2 4.04Å; V166-L243 PolarHBondContact N-O 3.35Å; V166-C244 WeakPolarHBondContact O-CA 3.42Å; V166-D245 PolarHBondContact O-N 3.4Å; V166-L261 HydrophobicContact CB-CD2 4.39Å; V166-L261 HydrophobicContact CG1-CD2 4.31Å; V166-L261 HydrophobicContact CG2-CD2 3.75Å
167	T	92.5	Very high	85.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.7	-171.1	-174.2	0	0	0	0	109.4	L171 L172 W175 I221 I222 S223 Y224 D245	T167-L171 WeakPolarHBondContact OG1-CB 3.29Å; T167-L172 HydrophobicContact CG2-CB 4.11Å; T167-W175 PolarHBondContact OG1-NE1 2.92Å; T167-I221 HydrophobicContact CG2-CG2 3.97Å; T167-I222 PolarHBondContact N-O 3.14Å; T167-I222 VanDerWaalsContact N-O 3.09Å; T167-S223 VanDerWaalsContact O-CA 3.23Å; T167-S223 WeakPolarHBondContact O-CA 3.35Å; T167-Y224 PolarHBondContact O-N 2.98Å; T167-D245 PolarHBondContact OG1-OD2 3Å; T167-D245 VanDerWaalsContact OG1-OD2 3.11Å
168	P	88	Confident	87	Confident	18 Å²	18	42.3 Å²	42.3	12%	0.117	22%	0.218	C	C	.	.			trans	-52.2	144.1	168.7	-26	34.5	0	0	0	111.5	S170 L171 L172 E246	P168-S170 PolarHBondContact O-N 2.91Å; P168-L171 HydrophobicContact CB-CG 4.46Å; P168-L171 HydrophobicContact CG-CD1 4.18Å; P168-L171 PolarHBondContact O-N 2.83Å; P168-L172 PolarHBondContact O-N 3.28Å; P168-E246 HydrophobicContact CG-CB 4.02Å; P168-E246 HydrophobicContact CG-CG 4.03Å
169	S	84.4	Confident	88	Confident	45 Å²	45	39.6 Å²	39.6	32%	0.315	20%	0.198	S	C	.	.	H	α-helix	trans	-54.8	-30.7	-178.2	-43.7	0	0	0	0	112.9	L171 S223	S169-L171 VanDerWaalsContact C-N 3.29Å; S169-L171 PolarHBondContact O-N 3.29Å; S169-S223 VanDerWaalsContact OG-CB 3.28Å; S169-S223 WeakPolarHBondContact OG-CB 3.49Å
170	S	77.3	Confident	88.5	Confident	43 Å²	43	38 Å²	38	30%	0.301	19%	0.189	S	C	.	.	H	α-helix	trans	-68.8	-23.2	177.7	63.3	0	0	0	0	114.3	P168 C540	P168-S170 PolarHBondContact O-N 2.91Å; S170-C540 WeakPolarHBondContact OG-CB 3.21Å
171	L	84.4	Confident	88.5	Confident	7 Å²	7	39.4 Å²	39.4	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-98.5	-13.4	-179	-68.4	-172.5	0	0	0	113.4	T167 P168 S169 R173 N174 W175 D245 E246 C540 G541	T167-L171 WeakPolarHBondContact OG1-CB 3.29Å; P168-L171 HydrophobicContact CB-CG 4.46Å; P168-L171 HydrophobicContact CG-CD1 4.18Å; P168-L171 PolarHBondContact O-N 2.83Å; S169-L171 VanDerWaalsContact C-N 3.29Å; S169-L171 PolarHBondContact O-N 3.29Å; L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 2.92Å; L171-N174 WeakPolarHBondContact O-CA 3.48Å; L171-N174 VanDerWaalsContact O-CB 3.31Å; L171-N174 WeakPolarHBondContact O-CB 3.48Å; L171-N174 PolarHBondContact O-N 3.13Å; L171-W175 PolarHBondContact O-N 3.41Å; L171-D245 WeakPolarHBondContact CD1-OD2 3.21Å; L171-E246 HydrophobicContact CD1-CG 4.06Å; L171-C540 WeakPolarHBondContact CD2-O 3.48Å; L171-G541 VanDerWaalsContact CD2-CA 3.44Å
172	L	89	Confident	88.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-55	-46	-177.2	-175.2	149.3	0	0	0	112.6	T167 P168 N174 W175 Y176 A191 I192 D193 I221	T167-L172 HydrophobicContact CG2-CB 4.11Å; P168-L172 PolarHBondContact O-N 3.28Å; L172-N174 VanDerWaalsContact C-N 3.34Å; L172-W175 PolarHBondContact O-N 3.4Å; L172-Y176 PolarHBondContact O-N 3.4Å; L172-A191 HydrophobicContact CD2-CB 3.85Å; L172-I192 WeakPolarHBondContact CD1-O 3.35Å; L172-D193 HydrophobicContact CD2-CB 4Å; L172-I221 HydrophobicContact CD1-CG2 4.47Å; L172-I221 HydrophobicContact CG-CG2 3.87Å
173	R	83.9	Confident	88.3	Confident	121 Å²	121	45.2 Å²	45.2	46%	0.457	21%	0.212	S	C	.	.	H	α-helix	trans	-67.6	-36	176.1	-173.2	61.1	62	104	6.9	112.3	L171 Y176 N177	L171-R173 VanDerWaalsContact C-N 3.32Å; L171-R173 PolarHBondContact O-N 2.92Å; R173-Y176 WeakPolarHBondContact O-CB 3.14Å; R173-Y176 PolarHBondContact O-N 2.89Å; R173-N177 VanDerWaalsContact O-CG 3.27Å; R173-N177 PolarHBondContact O-N 2.76Å; R173-N177 PolarHBondContact O-OD1 3.38Å
174	N	85	Confident	87.8	Confident	46 Å²	46	51.8 Å²	51.8	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-47.6	177.9	-174.2	70.2	0	0	0	110.6	L171 L172 Y176 N177 E178	L171-N174 WeakPolarHBondContact O-CA 3.48Å; L171-N174 VanDerWaalsContact O-CB 3.31Å; L171-N174 WeakPolarHBondContact O-CB 3.48Å; L171-N174 PolarHBondContact O-N 3.13Å; L172-N174 VanDerWaalsContact C-N 3.34Å; N174-Y176 VanDerWaalsContact C-N 3.34Å; N174-Y176 PolarHBondContact O-N 2.92Å; N174-N177 PolarHBondContact O-N 3.39Å; N174-N177 VanDerWaalsContact O-N 3.14Å; N174-E178 WeakPolarHBondContact O-CG 3.38Å; N174-E178 PolarHBondContact O-N 3.32Å
175	W	90.7	Very high	86.9	Confident	55 Å²	55	52.9 Å²	52.9	21%	0.208	25%	0.251	C	S	.	.	H	α-helix	trans	-55.3	-47	173.5	-88.3	99.8	0	0	0	112.6	I165 T167 L171 L172 N177 E178 F179 I221 D245 L272	I165-W175 HydrophobicContact CD1-CE3 3.95Å; I165-W175 HydrophobicContact CD1-CZ3 4.07Å; I165-W175 HydrophobicContact CG2-CD2 4.01Å; I165-W175 HydrophobicContact CG2-CE3 4.37Å; I165-W175 HydrophobicContact CG2-CG 4.3Å; I165-W175 HydrophobicContact CG2-CZ2 4.47Å; T167-W175 PolarHBondContact OG1-NE1 2.92Å; L171-W175 PolarHBondContact O-N 3.41Å; L172-W175 PolarHBondContact O-N 3.4Å; W175-N177 VanDerWaalsContact C-N 3.3Å; W175-N177 PolarHBondContact O-N 2.89Å; W175-E178 PolarHBondContact O-N 3.22Å; W175-F179 AromaticContact CE3-CE2 3.9Å; W175-F179 HydrophobicContact CE3-CE2 3.9Å; W175-F179 HydrophobicContact CE3-CZ 4.47Å; W175-F179 HydrophobicContact CZ3-CE2 4.45Å; W175-F179 WeakPolarHBondContact O-CD2 3.35Å; W175-F179 PolarHBondContact O-N 3.3Å; W175-I221 HydrophobicContact CB-CD1 4.05Å; W175-I221 HydrophobicContact CB-CG2 4.1Å; W175-D245 HydrophobicContact CZ2-CB 4.37Å; W175-D245 PolarHBondContact NE1-OD2 3.4Å; W175-L272 HydrophobicContact CH2-CD1 4.02Å; W175-L272 HydrophobicContact CZ2-CD1 3.91Å
176	Y	89.1	Confident	86.1	Confident	78 Å²	78	61.1 Å²	61.1	31%	0.306	29%	0.287	S	S	.	.	H	α-helix	trans	-56.4	-45.1	176.5	-177.2	-86.5	0	0	0	112.1	L172 R173 N174 F179 Q180 P189 A191	L172-Y176 PolarHBondContact O-N 3.4Å; R173-Y176 WeakPolarHBondContact O-CB 3.14Å; R173-Y176 PolarHBondContact O-N 2.89Å; N174-Y176 VanDerWaalsContact C-N 3.34Å; N174-Y176 PolarHBondContact O-N 2.92Å; Y176-F179 PolarHBondContact O-N 2.8Å; Y176-Q180 HydrophobicContact CD1-CG 4.46Å; Y176-Q180 HydrophobicContact CE1-CG 4.09Å; Y176-Q180 PolarHBondContact O-N 3.32Å; Y176-P189 HydrophobicContact CD2-CG 3.71Å; Y176-P189 HydrophobicContact CE2-CG 3.94Å; Y176-A191 HydrophobicContact CD2-CB 3.88Å
177	N	86.1	Confident	85.5	Confident	84 Å²	84	63.7 Å²	63.7	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-68.2	-38.5	179.7	-67.7	-11.1	0	0	0	112.4	R173 N174 W175 F179 Q180 K181	R173-N177 VanDerWaalsContact O-CG 3.27Å; R173-N177 PolarHBondContact O-N 2.76Å; R173-N177 PolarHBondContact O-OD1 3.38Å; N174-N177 PolarHBondContact O-N 3.39Å; N174-N177 VanDerWaalsContact O-N 3.14Å; W175-N177 VanDerWaalsContact C-N 3.3Å; W175-N177 PolarHBondContact O-N 2.89Å; N177-F179 VanDerWaalsContact C-N 3.33Å; N177-F179 PolarHBondContact O-N 2.85Å; N177-Q180 PolarHBondContact O-N 3.1Å; N177-Q180 VanDerWaalsContact O-N 3.13Å; N177-K181 PolarHBondContact O-N 3.23Å
178	E	87.8	Confident	85.2	Confident	47 Å²	47	68.6 Å²	68.6	22%	0.22	32%	0.323	C	S	.	.	H	α-helix	trans	-63.9	-37.6	176.2	-70.6	-64.4	149.1	0	0	111.4	N174 W175 Q180 K181 W182	N174-E178 WeakPolarHBondContact O-CG 3.38Å; N174-E178 PolarHBondContact O-N 3.32Å; W175-E178 PolarHBondContact O-N 3.22Å; E178-Q180 VanDerWaalsContact C-N 3.31Å; E178-Q180 PolarHBondContact O-N 3.3Å; E178-K181 PolarHBondContact O-N 3.34Å; E178-W182 PolarHBondContact O-N 3.4Å; E178-W182 VanDerWaalsContact OE2-CD1 3.23Å; E178-W182 PolarHBondContact OE2-NE1 3.09Å
179	F	89.7	Confident	85.4	Confident	30 Å²	30	68.2 Å²	68.2	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-58.7	-43.4	170.6	-83.5	-68.7	0	0	0	112.2	I165 W175 Y176 N177 L183 P189 I219 I221	I165-F179 HydrophobicContact CD1-CE2 3.46Å; I165-F179 VanDerWaalsContact CD1-CE2 3.46Å; I165-F179 HydrophobicContact CD1-CZ 3.5Å; I165-F179 VanDerWaalsContact CD1-CZ 3.5Å; W175-F179 AromaticContact CE3-CE2 3.9Å; W175-F179 HydrophobicContact CE3-CE2 3.9Å; W175-F179 HydrophobicContact CE3-CZ 4.47Å; W175-F179 HydrophobicContact CZ3-CE2 4.45Å; W175-F179 WeakPolarHBondContact O-CD2 3.35Å; W175-F179 PolarHBondContact O-N 3.3Å; Y176-F179 PolarHBondContact O-N 2.8Å; N177-F179 VanDerWaalsContact C-N 3.33Å; N177-F179 PolarHBondContact O-N 2.85Å; F179-L183 HydrophobicContact CD1-CD1 3.68Å; F179-L183 HydrophobicContact CD1-CG 4.41Å; F179-L183 HydrophobicContact CE1-CD1 4.2Å; F179-L183 WeakPolarHBondContact O-CA 3.46Å; F179-L183 VanDerWaalsContact O-CB 3.24Å; F179-L183 WeakPolarHBondContact O-CB 3.24Å; F179-L183 PolarHBondContact O-N 2.85Å; F179-P189 HydrophobicContact CB-CG 4.02Å; F179-P189 HydrophobicContact CD2-CB 4.32Å; F179-P189 HydrophobicContact CD2-CG 4.06Å; F179-P189 HydrophobicContact CG-CG 4.13Å; F179-I219 HydrophobicContact CD1-CD1 4.09Å; F179-I219 HydrophobicContact CE1-CD1 3.31Å; F179-I219 HydrophobicContact CE2-CD1 4.4Å; F179-I219 HydrophobicContact CE2-CG2 4.15Å; F179-I219 HydrophobicContact CZ-CD1 3.51Å; F179-I219 HydrophobicContact CZ-CG2 4.07Å; F179-I221 HydrophobicContact CD2-CD1 3.94Å; F179-I221 HydrophobicContact CE2-CD1 4.06Å
180	Q	87	Confident	85.8	Confident	58 Å²	58	68.1 Å²	68.1	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-66.5	-42.8	177.2	-64.2	-57.5	-27	0	0	111.9	Y176 N177 E178 H184	Y176-Q180 HydrophobicContact CD1-CG 4.46Å; Y176-Q180 HydrophobicContact CE1-CG 4.09Å; Y176-Q180 PolarHBondContact O-N 3.32Å; N177-Q180 PolarHBondContact O-N 3.1Å; N177-Q180 VanDerWaalsContact O-N 3.13Å; E178-Q180 VanDerWaalsContact C-N 3.31Å; E178-Q180 PolarHBondContact O-N 3.3Å; Q180-H184 VanDerWaalsContact O-CA 3.3Å; Q180-H184 WeakPolarHBondContact O-CA 3.45Å; Q180-H184 PolarHBondContact O-N 3.44Å
181	K	82.5	Confident	86.5	Confident	91 Å²	91	67.9 Å²	67.9	40%	0.396	32%	0.317	S	S	.	.	H	α-helix	trans	-59.2	-52	177.4	178.8	-174.7	169.5	-171.5	0	111.7	N177 E178 H184 D572	N177-K181 PolarHBondContact O-N 3.23Å; E178-K181 PolarHBondContact O-N 3.34Å; K181-H184 PolarHBondContact O-CE1 2.72Å; K181-H184 PolarHBondContact O-NE2 2.9Å; K181-D572 IonicContact NZ-OD2 3.27Å; K181-D572 PolarHBondContact NZ-OD2 3.35Å
182	W	85.2	Confident	86.8	Confident	154 Å²	154	67.7 Å²	67.7	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-85.8	-34.7	-171.7	-67.4	105	0	0	0	113.3	E178 H184	E178-W182 PolarHBondContact O-N 3.4Å; E178-W182 VanDerWaalsContact OE2-CD1 3.23Å; E178-W182 PolarHBondContact OE2-NE1 3.09Å; W182-H184 PolarHBondContact O-ND1 2.97Å
183	L	87.2	Confident	86.3	Confident	54 Å²	54	70.2 Å²	70.2	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-101.9	-6.7	-175.1	-53.7	-173.7	0	0	0	114	F179 G185 K186 I187	F179-L183 HydrophobicContact CD1-CD1 3.68Å; F179-L183 HydrophobicContact CD1-CG 4.41Å; F179-L183 HydrophobicContact CE1-CD1 4.2Å; F179-L183 WeakPolarHBondContact O-CA 3.46Å; F179-L183 VanDerWaalsContact O-CB 3.24Å; F179-L183 WeakPolarHBondContact O-CB 3.24Å; F179-L183 PolarHBondContact O-N 2.85Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-G185 PolarHBondContact O-N 3.26Å; L183-K186 HydrophobicContact CB-CB 4.41Å; L183-K186 VanDerWaalsContact O-CB 3.25Å; L183-K186 WeakPolarHBondContact O-CB 3.19Å; L183-K186 WeakPolarHBondContact O-CD 3.5Å; L183-K186 WeakPolarHBondContact O-CG 3.33Å; L183-K186 PolarHBondContact O-N 3.37Å; L183-I187 HydrophobicContact CD1-CB 3.91Å; L183-I187 HydrophobicContact CD1-CD1 3.64Å; L183-I187 HydrophobicContact CD1-CG1 3.85Å
184	H	83.2	Confident	86	Confident	152 Å²	152	69.1 Å²	69.1	70%	0.704	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	47.6	174.1	-53.4	92.3	0	0	0	113	Q180 K181 W182 K186	Q180-H184 VanDerWaalsContact O-CA 3.3Å; Q180-H184 WeakPolarHBondContact O-CA 3.45Å; Q180-H184 PolarHBondContact O-N 3.44Å; K181-H184 PolarHBondContact O-CE1 2.72Å; K181-H184 PolarHBondContact O-NE2 2.9Å; W182-H184 PolarHBondContact O-ND1 2.97Å; H184-K186 VanDerWaalsContact C-N 3.27Å; H184-K186 PolarHBondContact O-N 2.96Å
185	G	78.9	Confident	85.9	Confident	22 Å²	22	68.9 Å²	68.9	23%	0.227	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	5.2	179.6	0	0	0	0	0	115.9	L183 I187 H188	L183-G185 VanDerWaalsContact C-N 3.32Å; L183-G185 PolarHBondContact O-N 3.26Å; G185-I187 PolarHBondContact O-N 3.47Å; G185-H188 PolarHBondContact O-CE1 3.05Å
186	K	81.1	Confident	85.8	Confident	177 Å²	177	69.4 Å²	69.4	77%	0.77	36%	0.361	S	S	*	.	S	Bend	trans	-63.7	-30	176.4	-71.7	174.6	-177.3	177.7	0	113.1	L183 H184	L183-K186 HydrophobicContact CB-CB 4.41Å; L183-K186 VanDerWaalsContact O-CB 3.25Å; L183-K186 WeakPolarHBondContact O-CB 3.19Å; L183-K186 WeakPolarHBondContact O-CD 3.5Å; L183-K186 WeakPolarHBondContact O-CG 3.33Å; L183-K186 PolarHBondContact O-N 3.37Å; H184-K186 VanDerWaalsContact C-N 3.27Å; H184-K186 PolarHBondContact O-N 2.96Å
187	I	83.3	Confident	85.8	Confident	54 Å²	54	71.9 Å²	71.9	28%	0.277	37%	0.373	S	S	.	.	S	Bend	trans	-127.2	133.4	177.1	-58	-175.1	0	0	0	108.3	L183 G185 P189 P218 I219	L183-I187 HydrophobicContact CD1-CB 3.91Å; L183-I187 HydrophobicContact CD1-CD1 3.64Å; L183-I187 HydrophobicContact CD1-CG1 3.85Å; G185-I187 PolarHBondContact O-N 3.47Å; I187-P189 VanDerWaalsContact O-CD 3.27Å; I187-P189 WeakPolarHBondContact O-CD 3.26Å; I187-P218 HydrophobicContact CG2-CG 3.79Å; I187-I219 HydrophobicContact CG2-CD1 3.76Å; I187-I219 HydrophobicContact CG2-CG1 4.11Å
188	H	85.4	Confident	86	Confident	104 Å²	104	73.8 Å²	73.8	48%	0.481	38%	0.379	S	S	.	.			trans	-107.9	96.3	178.5	-65.6	89.7	0	0	0	109.6	G185 S217	G185-H188 PolarHBondContact O-CE1 3.05Å; H188-S217 WeakPolarHBondContact O-CA 3.44Å; H188-S217 WeakPolarHBondContact O-CB 3.28Å; H188-S217 PolarHBondContact O-OG 3.36Å
189	P	92	Very high	86.2	Confident	9 Å²	9	74.7 Å²	74.7	6%	0.058	39%	0.386	C	S	.	.			trans	-69.8	141	176.5	27.9	-33.3	0	0	0	111.3	Y176 F179 I187 I219 I221	Y176-P189 HydrophobicContact CD2-CG 3.71Å; Y176-P189 HydrophobicContact CE2-CG 3.94Å; F179-P189 HydrophobicContact CB-CG 4.02Å; F179-P189 HydrophobicContact CD2-CB 4.32Å; F179-P189 HydrophobicContact CD2-CG 4.06Å; F179-P189 HydrophobicContact CG-CG 4.13Å; I187-P189 VanDerWaalsContact O-CD 3.27Å; I187-P189 WeakPolarHBondContact O-CD 3.26Å; P189-I219 CarbonylContact C-O 3.56Å; P189-I219 WeakPolarHBondContact CA-O 3.26Å; P189-I219 HydrophobicContact CB-CB 4.08Å; P189-I219 HydrophobicContact CB-CG2 4.08Å; P189-I221 HydrophobicContact CB-CD1 3.72Å; P189-I221 HydrophobicContact CB-CG1 4.09Å; P189-I221 HydrophobicContact CG-CD1 4.11Å
190	L	93	Very high	86.4	Confident	43 Å²	43	73.7 Å²	73.7	23%	0.225	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	112.5	167.5	176.2	63	0	0	0	108.5	I192 F207 I219 L220 I221	L190-I192 HydrophobicContact CD2-CD1 4.5Å; L190-I192 HydrophobicContact CG-CG1 4.32Å; L190-F207 HydrophobicContact CD2-CB 3.99Å; L190-I219 PolarHBondContact N-O 3.5Å; L190-L220 HydrophobicContact CB-CD1 4.46Å; L190-L220 HydrophobicContact CD2-CD1 4.11Å; L190-L220 HydrophobicContact CG-CD1 4.14Å; L190-L220 CarbonylContact O-C 3.54Å; L190-L220 WeakPolarHBondContact O-CA 3.19Å; L190-I221 PolarHBondContact O-N 3.14Å
191	A	91.9	Very high	86.7	Confident	38 Å²	38	72.7 Å²	72.7	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.2	179	0	0	0	0	0	110.7	L172 Y176 I221	L172-A191 HydrophobicContact CD2-CB 3.85Å; Y176-A191 HydrophobicContact CD2-CB 3.88Å; A191-I221 WeakPolarHBondContact CA-O 3.49Å; A191-I221 HydrophobicContact CB-CB 4.47Å
192	I	90.8	Very high	87.3	Confident	4 Å²	4	72.1 Å²	72.1	2%	0.021	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101	179.8	-57.3	-176.4	0	0	0	109.8	L172 L190 I200 K203 L204 L220 I221 T226	L172-I192 WeakPolarHBondContact CD1-O 3.35Å; L190-I192 HydrophobicContact CD2-CD1 4.5Å; L190-I192 HydrophobicContact CG-CG1 4.32Å; I192-I200 HydrophobicContact CD1-CG2 4.5Å; I192-I200 HydrophobicContact CG2-CD1 4.34Å; I192-I200 HydrophobicContact CG2-CG1 3.97Å; I192-I200 HydrophobicContact CG2-CG2 3.97Å; I192-K203 HydrophobicContact CD1-CB 4.17Å; I192-L204 HydrophobicContact CD1-CD2 3.52Å; I192-L204 HydrophobicContact CD1-CG 3.88Å; I192-L220 HydrophobicContact CD1-CD1 3.66Å; I192-L220 HydrophobicContact CG1-CD1 3.85Å; I192-I221 PolarHBondContact N-O 3.12Å; I192-T226 HydrophobicContact CG2-CG2 4.12Å
193	D	78	Confident	87.7	Confident	53 Å²	53	68.6 Å²	68.6	28%	0.283	37%	0.374	S	S	.	.			trans	-102.5	-45.5	-178.1	-169.1	13.3	0	0	0	111.8	L172	L172-D193 HydrophobicContact CD2-CB 4Å
194	S	78.6	Confident	88	Confident	98 Å²	98	66 Å²	66	69%	0.685	36%	0.361	S	S	*	.			trans	-154.1	156.9	-179.4	50.5	0	0	0	0	111.4
195	G	82.9	Confident	88.5	Confident	42 Å²	42	61 Å²	61	43%	0.433	35%	0.346	S	S	.	.			trans	165.8	167.4	-179.6	0	0	0	0	0	110.6
196	S	87.2	Confident	89.1	Confident	65 Å²	65	61.5 Å²	61.5	46%	0.455	35%	0.351	S	S	.	.			trans	-66.4	160.4	167.3	87.4	0	0	0	0	109.4	E198 D199 I200	S196-E198 WeakPolarHBondContact CB-OE2 3.46Å; S196-E198 PolarHBondContact O-N 3.39Å; S196-E198 PolarHBondContact OG-OE2 3.02Å; S196-D199 PolarHBondContact O-N 3.17Å; S196-D199 PolarHBondContact OG-N 3.5Å; S196-I200 WeakPolarHBondContact O-CG1 3.48Å; S196-I200 PolarHBondContact O-N 2.91Å
197	K	89.3	Confident	89.7	Confident	131 Å²	131	53.1 Å²	53.1	57%	0.57	31%	0.314	S	S	*	.	H	α-helix	trans	-57.2	-42.8	-178.8	-175.6	-175.3	176.2	-178.8	0	111.1	I200 D201	K197-I200 PolarHBondContact O-N 2.96Å; K197-D201 WeakPolarHBondContact O-CB 3.24Å; K197-D201 VanDerWaalsContact O-CG 3.29Å; K197-D201 PolarHBondContact O-N 2.83Å
198	E	91.3	Very high	90	Very high	124 Å²	124	51.5 Å²	51.5	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-67.1	-40.2	-177.7	-55.3	70.7	-149.3	0	0	111.9	S196 S202	S196-E198 WeakPolarHBondContact CB-OE2 3.46Å; S196-E198 PolarHBondContact O-N 3.39Å; S196-E198 PolarHBondContact OG-OE2 3.02Å; E198-S202 VanDerWaalsContact O-CB 3.3Å; E198-S202 WeakPolarHBondContact O-CB 3.42Å; E198-S202 PolarHBondContact O-N 3.34Å; E198-S202 PolarHBondContact O-OG 3.31Å
199	D	92.4	Very high	90.2	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-68.3	-41.5	177.7	-176.6	29.6	0	0	0	111.1	S196 S202 K203	S196-D199 PolarHBondContact O-N 3.17Å; S196-D199 PolarHBondContact OG-N 3.5Å; D199-S202 PolarHBondContact O-N 3.02Å; D199-K203 VanDerWaalsContact CG-NZ 3.32Å; D199-K203 WeakPolarHBondContact O-CG 3.4Å; D199-K203 PolarHBondContact O-N 3.28Å; D199-K203 WeakPolarHBondContact OD1-CE 3.44Å; D199-K203 IonicContact OD1-NZ 3.9Å; D199-K203 PolarHBondContact OD1-NZ 3.09Å; D199-K203 IonicContact OD2-NZ 3.9Å; D199-K203 PolarHBondContact OD2-NZ 2.9Å
200	I	93.7	Very high	89.9	Confident	9 Å²	9	52.5 Å²	52.5	5%	0.046	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-48.8	175	-65.4	170.4	0	0	0	110.5	I192 S196 K197 S202 K203 L204 T226	I192-I200 HydrophobicContact CD1-CG2 4.5Å; I192-I200 HydrophobicContact CG2-CD1 4.34Å; I192-I200 HydrophobicContact CG2-CG1 3.97Å; I192-I200 HydrophobicContact CG2-CG2 3.97Å; S196-I200 WeakPolarHBondContact O-CG1 3.48Å; S196-I200 PolarHBondContact O-N 2.91Å; K197-I200 PolarHBondContact O-N 2.96Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.03Å; I200-K203 PolarHBondContact O-N 3.32Å; I200-L204 HydrophobicContact CG2-CD1 3.76Å; I200-L204 HydrophobicContact CG2-CG 4.17Å; I200-L204 WeakPolarHBondContact O-CB 3.34Å; I200-L204 VanDerWaalsContact O-CG 3.27Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 2.78Å; I200-T226 HydrophobicContact CD1-CG2 4.2Å; I200-T226 HydrophobicContact CG2-CG2 4.12Å
201	D	93.9	Very high	89.4	Confident	37 Å²	37	54.7 Å²	54.7	20%	0.198	35%	0.345	C	S	.	.	H	α-helix	trans	-58.2	-40.8	178.2	-77.8	-17.7	0	0	0	111.6	K197 L204 A205 H230 V233	K197-D201 WeakPolarHBondContact O-CB 3.24Å; K197-D201 VanDerWaalsContact O-CG 3.29Å; K197-D201 PolarHBondContact O-N 2.83Å; D201-L204 PolarHBondContact O-N 2.81Å; D201-A205 VanDerWaalsContact O-CB 3.31Å; D201-A205 WeakPolarHBondContact O-CB 3.41Å; D201-A205 PolarHBondContact O-N 2.74Å; D201-H230 IonicContact OD1-CE1 2.73Å; D201-H230 IonicContact OD1-CG 3.43Å; D201-H230 IonicContact OD1-ND1 3.53Å; D201-H230 PolarHBondContact OD1-ND1 2.9Å; D201-V233 HydrophobicContact CB-CG2 4.1Å; D201-V233 VanDerWaalsContact OD1-CG2 3.28Å; D201-V233 WeakPolarHBondContact OD1-CG2 3.48Å
202	S	93.9	Very high	88.5	Confident	79 Å²	79	55.8 Å²	55.8	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-64.3	-45	176.8	-61	0	0	0	0	112	E198 D199 I200 A205 G206	E198-S202 VanDerWaalsContact O-CB 3.3Å; E198-S202 WeakPolarHBondContact O-CB 3.42Å; E198-S202 PolarHBondContact O-N 3.34Å; E198-S202 PolarHBondContact O-OG 3.31Å; D199-S202 PolarHBondContact O-N 3.02Å; I200-S202 VanDerWaalsContact C-N 3.26Å; I200-S202 PolarHBondContact O-N 3.03Å; S202-A205 PolarHBondContact O-N 2.94Å; S202-G206 PolarHBondContact O-N 3.38Å
203	K	93.3	Very high	87.4	Confident	80 Å²	80	66.8 Å²	66.8	35%	0.348	40%	0.401	S	S	.	.	H	α-helix	trans	-63.3	-40.9	176	-74.4	166.4	179.1	159	0	112	I192 D199 I200 G206 F207	I192-K203 HydrophobicContact CD1-CB 4.17Å; D199-K203 VanDerWaalsContact CG-NZ 3.32Å; D199-K203 WeakPolarHBondContact O-CG 3.4Å; D199-K203 PolarHBondContact O-N 3.28Å; D199-K203 WeakPolarHBondContact OD1-CE 3.44Å; D199-K203 IonicContact OD1-NZ 3.9Å; D199-K203 PolarHBondContact OD1-NZ 3.09Å; D199-K203 IonicContact OD2-NZ 3.9Å; D199-K203 PolarHBondContact OD2-NZ 2.9Å; I200-K203 PolarHBondContact O-N 3.32Å; K203-G206 PolarHBondContact O-N 2.85Å; K203-F207 WeakPolarHBondContact O-CB 3.41Å; K203-F207 PolarHBondContact O-N 3.02Å
204	L	94.6	Very high	87.2	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-66.7	-47.2	177.5	-70.7	177.1	0	0	0	111.6	I192 I200 D201 G206 F207 L208 L220 I222 H230 V233 L234	I192-L204 HydrophobicContact CD1-CD2 3.52Å; I192-L204 HydrophobicContact CD1-CG 3.88Å; I200-L204 HydrophobicContact CG2-CD1 3.76Å; I200-L204 HydrophobicContact CG2-CG 4.17Å; I200-L204 WeakPolarHBondContact O-CB 3.34Å; I200-L204 VanDerWaalsContact O-CG 3.27Å; I200-L204 WeakPolarHBondContact O-CG 3.45Å; I200-L204 PolarHBondContact O-N 2.78Å; D201-L204 PolarHBondContact O-N 2.81Å; L204-G206 VanDerWaalsContact C-N 3.28Å; L204-G206 PolarHBondContact O-N 3.42Å; L204-F207 PolarHBondContact O-N 3.36Å; L204-L208 VanDerWaalsContact O-CG 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 3.38Å; L204-L220 HydrophobicContact CD2-CD1 4.15Å; L204-L220 HydrophobicContact CD2-CD2 3.52Å; L204-I222 HydrophobicContact CD2-CD1 4.21Å; L204-H230 HydrophobicContact CD1-CB 3.5Å; L204-V233 HydrophobicContact CB-CG1 3.83Å; L204-L234 HydrophobicContact CD1-CD1 4.34Å; L204-L234 HydrophobicContact CD1-CG 4.23Å; L204-L234 HydrophobicContact CD2-CD2 3.95Å; L204-L234 HydrophobicContact CD2-CG 4.4Å
205	A	92.6	Very high	87.2	Confident	47 Å²	47	71.9 Å²	71.9	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-40.7	174.1	0	0	0	0	0	111.4	D201 S202 L208 S209 V233	D201-A205 VanDerWaalsContact O-CB 3.31Å; D201-A205 WeakPolarHBondContact O-CB 3.41Å; D201-A205 PolarHBondContact O-N 2.74Å; S202-A205 PolarHBondContact O-N 2.94Å; A205-L208 PolarHBondContact O-N 3.14Å; A205-S209 WeakPolarHBondContact O-CB 3.39Å; A205-S209 PolarHBondContact O-N 2.79Å; A205-S209 PolarHBondContact O-OG 3.31Å; A205-V233 HydrophobicContact CB-CG1 4.31Å
206	G	91.5	Very high	87.1	Confident	32 Å²	32	74.3 Å²	74.3	33%	0.33	41%	0.411	S	S	.	.	H	α-helix	trans	-59.3	-44.8	173.5	0	0	0	0	0	112.7	S202 K203 L204 S209 Q210	S202-G206 PolarHBondContact O-N 3.38Å; K203-G206 PolarHBondContact O-N 2.85Å; L204-G206 VanDerWaalsContact C-N 3.28Å; L204-G206 PolarHBondContact O-N 3.42Å; G206-S209 PolarHBondContact O-OG 3.3Å; G206-S209 VanDerWaalsContact O-OG 3.07Å; G206-Q210 WeakPolarHBondContact O-CG 3.12Å; G206-Q210 PolarHBondContact O-N 3.17Å
207	F	93.6	Very high	87.1	Confident	1 Å²	1	72.7 Å²	72.7	0%	0.004	40%	0.399	C	S	.	.	H	α-helix	trans	-64	-45.3	175.1	171	-100.4	0	0	0	112.5	K162 V164 L190 K203 L204 S209 Q210 S217 L220 V239	K162-F207 HydrophobicContact CB-CZ 3.97Å; K162-F207 HydrophobicContact CD-CZ 4.33Å; K162-F207 HydrophobicContact CG-CE2 4.48Å; K162-F207 HydrophobicContact CG-CZ 4.27Å; V164-F207 HydrophobicContact CG2-CE1 4.04Å; V164-F207 HydrophobicContact CG2-CZ 4.4Å; L190-F207 HydrophobicContact CD2-CB 3.99Å; K203-F207 WeakPolarHBondContact O-CB 3.41Å; K203-F207 PolarHBondContact O-N 3.02Å; L204-F207 PolarHBondContact O-N 3.36Å; F207-S209 PolarHBondContact O-N 3.11Å; F207-Q210 WeakPolarHBondContact O-CB 3.43Å; F207-Q210 WeakPolarHBondContact O-CG 3.35Å; F207-Q210 PolarHBondContact O-N 3.07Å; F207-S217 WeakPolarHBondContact CD2-O 2.86Å; F207-S217 VanDerWaalsContact CE2-O 3.24Å; F207-S217 WeakPolarHBondContact CE2-O 3.29Å; F207-L220 HydrophobicContact CD1-CB 4.12Å; F207-L220 HydrophobicContact CD1-CD2 4.11Å; F207-L220 HydrophobicContact CD2-CB 4.15Å; F207-L220 HydrophobicContact CE1-CB 3.78Å; F207-L220 HydrophobicContact CE1-CD2 4.19Å; F207-L220 HydrophobicContact CE2-CB 3.81Å; F207-L220 HydrophobicContact CG-CB 4.29Å; F207-L220 HydrophobicContact CZ-CB 3.61Å; F207-V239 HydrophobicContact CE1-CG2 4.44Å
208	L	91.1	Very high	87.1	Confident	20 Å²	20	67.8 Å²	67.8	11%	0.105	38%	0.381	C	S	.	.	H	α-helix	trans	-69.4	-33.7	-177	-65.6	168.8	0	0	0	112.5	K162 L204 A205 Q210 V233 V239	K162-L208 PolarHBondContact NZ-O 2.9Å; L204-L208 VanDerWaalsContact O-CG 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 3.38Å; A205-L208 PolarHBondContact O-N 3.14Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.38Å; L208-V233 HydrophobicContact CD1-CG1 4.32Å; L208-V233 VanDerWaalsContact CD1-O 3.23Å; L208-V233 WeakPolarHBondContact CD1-O 3.43Å; L208-V239 HydrophobicContact CD2-CG2 4.15Å
209	S	89.2	Confident	87.2	Confident	90 Å²	90	62.7 Å²	62.7	63%	0.629	36%	0.357	S	S	*	.	H	α-helix	trans	-76.3	-10.1	177.5	57.5	0	0	0	0	114	A205 G206 F207 A211	A205-S209 WeakPolarHBondContact O-CB 3.39Å; A205-S209 PolarHBondContact O-N 2.79Å; A205-S209 PolarHBondContact O-OG 3.31Å; G206-S209 PolarHBondContact O-OG 3.3Å; G206-S209 VanDerWaalsContact O-OG 3.07Å; F207-S209 PolarHBondContact O-N 3.11Å; S209-A211 PolarHBondContact O-N 3.19Å
210	Q	86.4	Confident	87.4	Confident	43 Å²	43	59.5 Å²	59.5	20%	0.201	34%	0.34	C	S	.	.			trans	-62.4	125.4	174.3	-52.9	-174	9.4	0	0	109.9	K162 G206 F207 L208 I215 S217	K162-Q210 PolarHBondContact NZ-O 3.36Å; G206-Q210 WeakPolarHBondContact O-CG 3.12Å; G206-Q210 PolarHBondContact O-N 3.17Å; F207-Q210 WeakPolarHBondContact O-CB 3.43Å; F207-Q210 WeakPolarHBondContact O-CG 3.35Å; F207-Q210 PolarHBondContact O-N 3.07Å; L208-Q210 VanDerWaalsContact C-N 3.28Å; L208-Q210 PolarHBondContact O-N 3.38Å; Q210-I215 HydrophobicContact CB-CG2 3.88Å; Q210-S217 PolarHBondContact OE1-O 3.05Å
211	A	80.5	Confident	87.6	Confident	90 Å²	90	59.1 Å²	59.1	74%	0.744	34%	0.338	S	S	*	.			trans	-144	163.8	177.5	0	0	0	0	0	109.7	S209	S209-A211 PolarHBondContact O-N 3.19Å
212	G	73.6	Confident	87.6	Confident	60 Å²	60	57.3 Å²	57.3	62%	0.619	33%	0.329	S	S	*	.	S	Bend	trans	112	178.2	179.3	0	0	0	0	0	113.4	R214	G212-R214 VanDerWaalsContact C-N 3.31Å; G212-R214 PolarHBondContact O-N 2.82Å
213	R	68.9	Low	87.6	Confident	236 Å²	236	53.7 Å²	53.7	89%	0.891	30%	0.303	S	S	*	.	S	Bend	trans	-67.9	-27.6	-171	-164.7	177.6	-174.7	-173.6	3.5	113.7
214	R	72.6	Confident	87.5	Confident	233 Å²	233	50 Å²	50	88%	0.879	29%	0.287	S	S	*	.	S	Bend	trans	-132.9	95.2	-179.4	-169.8	178.1	-176.5	-179	0.3	110.4	G212	G212-R214 VanDerWaalsContact C-N 3.31Å; G212-R214 PolarHBondContact O-N 2.82Å
215	I	78.9	Confident	87.3	Confident	24 Å²	24	52.9 Å²	52.9	12%	0.123	30%	0.301	C	S	.	.			trans	-75.2	124.8	177.8	-62.8	178.4	0	0	0	108.6	D161 K162 Q210 P218	D161-I215 HydrophobicContact CB-CD1 3.9Å; K162-I215 HydrophobicContact CD-CD1 4.33Å; K162-I215 HydrophobicContact CG-CD1 3.82Å; K162-I215 HydrophobicContact CG-CG2 4.44Å; Q210-I215 HydrophobicContact CB-CG2 3.88Å; I215-P218 HydrophobicContact CB-CB 4.36Å; I215-P218 HydrophobicContact CG2-CB 4.13Å
216	P	80.8	Confident	87.3	Confident	94 Å²	94	51.4 Å²	51.4	61%	0.61	29%	0.287	S	S	*	.	S	Bend	trans	-62.5	-43.5	-177.2	-22.6	31.4	0	0	0	113.4
217	S	86.6	Confident	87.4	Confident	30 Å²	30	49.9 Å²	49.9	21%	0.21	27%	0.271	C	S	.	.			trans	-128.1	78.8	-178.6	-66.1	0	0	0	0	109.8	H188 F207 Q210 I219	H188-S217 WeakPolarHBondContact O-CA 3.44Å; H188-S217 WeakPolarHBondContact O-CB 3.28Å; H188-S217 PolarHBondContact O-OG 3.36Å; F207-S217 WeakPolarHBondContact CD2-O 2.86Å; F207-S217 VanDerWaalsContact CE2-O 3.24Å; F207-S217 WeakPolarHBondContact CE2-O 3.29Å; Q210-S217 PolarHBondContact OE1-O 3.05Å; S217-I219 PolarHBondContact O-N 2.88Å
218	P	89.4	Confident	87.4	Confident	28 Å²	28	54.2 Å²	54.2	18%	0.182	29%	0.287	C	S	.	.			trans	-72.6	-10.8	-174.3	29.4	-34.6	0	0	0	113.3	D161 K162 A163 I187 I215	D161-P218 WeakPolarHBondContact O-CB 3.28Å; K162-P218 CarbonylContact C-O 3.57Å; K162-P218 VanDerWaalsContact CA-O 3.28Å; K162-P218 WeakPolarHBondContact CA-O 3.26Å; A163-P218 PolarHBondContact N-O 2.94Å; I187-P218 HydrophobicContact CG2-CG 3.79Å; I215-P218 HydrophobicContact CB-CB 4.36Å; I215-P218 HydrophobicContact CG2-CB 4.13Å
219	I	94.2	Very high	87.5	Confident	17 Å²	17	58.9 Å²	58.9	9%	0.087	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.4	-176.1	-57.6	-179.5	0	0	0	109.6	A163 I165 F179 I187 P189 L190 S217 I221	A163-I219 WeakPolarHBondContact O-CA 3.34Å; I165-I219 HydrophobicContact CD1-CG2 3.82Å; I165-I219 HydrophobicContact CG1-CG2 4.32Å; F179-I219 HydrophobicContact CD1-CD1 4.09Å; F179-I219 HydrophobicContact CE1-CD1 3.31Å; F179-I219 HydrophobicContact CE2-CD1 4.4Å; F179-I219 HydrophobicContact CE2-CG2 4.15Å; F179-I219 HydrophobicContact CZ-CD1 3.51Å; F179-I219 HydrophobicContact CZ-CG2 4.07Å; I187-I219 HydrophobicContact CG2-CD1 3.76Å; I187-I219 HydrophobicContact CG2-CG1 4.11Å; P189-I219 CarbonylContact C-O 3.56Å; P189-I219 WeakPolarHBondContact CA-O 3.26Å; P189-I219 HydrophobicContact CB-CB 4.08Å; P189-I219 HydrophobicContact CB-CG2 4.08Å; L190-I219 PolarHBondContact N-O 3.5Å; S217-I219 PolarHBondContact O-N 2.88Å; I219-I221 HydrophobicContact CG2-CG1 4.2Å
220	L	96.3	Very high	87.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.9	167.2	171.3	66	0	0	0	109.1	A163 V164 I165 L190 I192 L204 F207 I222 L234	A163-L220 PolarHBondContact O-N 3.36Å; V164-L220 CarbonylContact C-O 3.55Å; V164-L220 WeakPolarHBondContact CA-O 3.35Å; V164-L220 HydrophobicContact CG1-CD2 4.33Å; V164-L220 HydrophobicContact CG2-CB 4.2Å; V164-L220 HydrophobicContact CG2-CD2 4.09Å; I165-L220 PolarHBondContact N-O 2.93Å; L190-L220 HydrophobicContact CB-CD1 4.46Å; L190-L220 HydrophobicContact CD2-CD1 4.11Å; L190-L220 HydrophobicContact CG-CD1 4.14Å; L190-L220 CarbonylContact O-C 3.54Å; L190-L220 WeakPolarHBondContact O-CA 3.19Å; I192-L220 HydrophobicContact CD1-CD1 3.66Å; I192-L220 HydrophobicContact CG1-CD1 3.85Å; L204-L220 HydrophobicContact CD2-CD1 4.15Å; L204-L220 HydrophobicContact CD2-CD2 3.52Å; F207-L220 HydrophobicContact CD1-CB 4.12Å; F207-L220 HydrophobicContact CD1-CD2 4.11Å; F207-L220 HydrophobicContact CD2-CB 4.15Å; F207-L220 HydrophobicContact CE1-CB 3.78Å; F207-L220 HydrophobicContact CE1-CD2 4.19Å; F207-L220 HydrophobicContact CE2-CB 3.81Å; F207-L220 HydrophobicContact CG-CB 4.29Å; F207-L220 HydrophobicContact CZ-CB 3.61Å; L220-I222 HydrophobicContact CD2-CG2 4.49Å; L220-I222 HydrophobicContact CG-CB 4.35Å; L220-I222 HydrophobicContact CG-CG2 4.48Å; L220-L234 HydrophobicContact CD2-CD2 4.03Å
221	I	96.8	Very high	88.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.3	170.5	-47.2	170.6	0	0	0	107.6	I165 T167 L172 W175 F179 P189 L190 A191 I192 I219	I165-I221 HydrophobicContact CB-CG1 4.44Å; I165-I221 HydrophobicContact CB-CG2 4.41Å; I165-I221 HydrophobicContact CD1-CG1 4.48Å; I165-I221 HydrophobicContact CG2-CG2 4.36Å; I165-I221 WeakPolarHBondContact O-CA 3.3Å; T167-I221 HydrophobicContact CG2-CG2 3.97Å; L172-I221 HydrophobicContact CD1-CG2 4.47Å; L172-I221 HydrophobicContact CG-CG2 3.87Å; W175-I221 HydrophobicContact CB-CD1 4.05Å; W175-I221 HydrophobicContact CB-CG2 4.1Å; F179-I221 HydrophobicContact CD2-CD1 3.94Å; F179-I221 HydrophobicContact CE2-CD1 4.06Å; P189-I221 HydrophobicContact CB-CD1 3.72Å; P189-I221 HydrophobicContact CB-CG1 4.09Å; P189-I221 HydrophobicContact CG-CD1 4.11Å; L190-I221 PolarHBondContact O-N 3.14Å; A191-I221 WeakPolarHBondContact CA-O 3.49Å; A191-I221 HydrophobicContact CB-CB 4.47Å; I192-I221 PolarHBondContact N-O 3.12Å; I219-I221 HydrophobicContact CG2-CG1 4.2Å
222	I	95.6	Very high	88.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	150.8	-172.8	-169.4	167	0	0	0	110.7	V164 I165 V166 T167 L204 L220 T226 F227 L234	V164-I222 HydrophobicContact CG1-CG2 3.99Å; I165-I222 PolarHBondContact O-N 2.74Å; V166-I222 WeakPolarHBondContact CA-O 3.46Å; V166-I222 HydrophobicContact CG2-CG2 4.13Å; T167-I222 PolarHBondContact N-O 3.14Å; T167-I222 VanDerWaalsContact N-O 3.09Å; L204-I222 HydrophobicContact CD2-CD1 4.21Å; L220-I222 HydrophobicContact CD2-CG2 4.49Å; L220-I222 HydrophobicContact CG-CB 4.35Å; L220-I222 HydrophobicContact CG-CG2 4.48Å; I222-T226 HydrophobicContact CD1-CG2 3.91Å; I222-T226 HydrophobicContact CG1-CG2 3.97Å; I222-F227 HydrophobicContact CD1-CB 4.28Å; I222-F227 HydrophobicContact CG1-CB 4.44Å; I222-F227 HydrophobicContact CG2-CB 4.27Å; I222-F227 HydrophobicContact CG2-CD2 4Å; I222-L234 HydrophobicContact CD1-CD1 4.33Å
223	S	92.8	Very high	89.7	Confident	3 Å²	3	51 Å²	51	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	155.9	173.7	79.7	0	0	0	0	112.3	T167 S169 E225 T226 F227	T167-S223 VanDerWaalsContact O-CA 3.23Å; T167-S223 WeakPolarHBondContact O-CA 3.35Å; S169-S223 VanDerWaalsContact OG-CB 3.28Å; S169-S223 WeakPolarHBondContact OG-CB 3.49Å; S223-E225 VanDerWaalsContact C-N 3.25Å; S223-E225 PolarHBondContact O-N 2.8Å; S223-T226 PolarHBondContact O-N 3.46Å; S223-T226 VanDerWaalsContact OG-CB 3.29Å; S223-T226 WeakPolarHBondContact OG-CB 3.32Å; S223-T226 PolarHBondContact OG-N 3.12Å; S223-T226 PolarHBondContact OG-OG1 3.48Å; S223-F227 VanDerWaalsContact O-CB 3.26Å; S223-F227 WeakPolarHBondContact O-CB 2.92Å; S223-F227 PolarHBondContact O-N 3.32Å
224	Y	92	Very high	90.9	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-56.1	-42.4	171.8	-80	-77.2	0	0	0	112.3	V166 T167 R228 C244 D245 L250 T257 L261	V166-Y224 HydrophobicContact CB-CE1 4.29Å; V166-Y224 HydrophobicContact CG1-CD1 3.41Å; V166-Y224 VanDerWaalsContact CG1-CD1 3.41Å; V166-Y224 HydrophobicContact CG1-CD2 4.09Å; V166-Y224 HydrophobicContact CG1-CE1 3.59Å; V166-Y224 HydrophobicContact CG1-CE2 4.24Å; V166-Y224 HydrophobicContact CG1-CG 3.69Å; T167-Y224 PolarHBondContact O-N 2.98Å; Y224-R228 PolarHBondContact O-N 2.89Å; Y224-C244 WeakPolarHBondContact OH-CB 3.31Å; Y224-D245 VanDerWaalsContact CE2-O 3.26Å; Y224-D245 WeakPolarHBondContact CE2-O 3.39Å; Y224-D245 PolarHBondContact OH-N 2.86Å; Y224-D245 PolarHBondContact OH-O 3.32Å; Y224-L250 HydrophobicContact CD1-CD2 4.47Å; Y224-L250 HydrophobicContact CE1-CD1 4.16Å; Y224-L250 HydrophobicContact CE1-CD2 3.98Å; Y224-L250 HydrophobicContact CE1-CG 4.14Å; Y224-T257 HydrophobicContact CD1-CG2 3.64Å; Y224-T257 HydrophobicContact CG-CG2 4.3Å; Y224-L261 HydrophobicContact CD1-CD1 4.06Å; Y224-L261 HydrophobicContact CE1-CD1 3.81Å
225	E	89.6	Confident	92	Very high	59 Å²	59	30.4 Å²	30.4	28%	0.276	17%	0.169	S	C	.	.	H	α-helix	trans	-67.1	-47.5	-178.5	-65.9	74.8	-167.8	0	0	111	S223 R228 L229 R249	S223-E225 VanDerWaalsContact C-N 3.25Å; S223-E225 PolarHBondContact O-N 2.8Å; E225-R228 PolarHBondContact O-N 3.23Å; E225-L229 WeakPolarHBondContact O-CG 3.42Å; E225-L229 PolarHBondContact O-N 3.05Å; E225-L229 VanDerWaalsContact O-N 3.07Å; E225-R249 IonicContact OE1-CZ 2.71Å; E225-R249 IonicContact OE1-NH1 2.67Å; E225-R249 PolarHBondContact OE1-NH1 3.39Å; E225-R249 IonicContact OE1-NH2 3.27Å; E225-R249 PolarHBondContact OE1-NH2 3.49Å; E225-R249 IonicContact OE2-NH1 3.56Å
226	T	92.7	Very high	92.6	Very high	17 Å²	17	37 Å²	37	10%	0.104	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-41.3	176.5	-49.4	0	0	0	0	110.9	I192 I200 I222 S223 R228 L229 H230	I192-T226 HydrophobicContact CG2-CG2 4.12Å; I200-T226 HydrophobicContact CD1-CG2 4.2Å; I200-T226 HydrophobicContact CG2-CG2 4.12Å; I222-T226 HydrophobicContact CD1-CG2 3.91Å; I222-T226 HydrophobicContact CG1-CG2 3.97Å; S223-T226 PolarHBondContact O-N 3.46Å; S223-T226 VanDerWaalsContact OG-CB 3.29Å; S223-T226 WeakPolarHBondContact OG-CB 3.32Å; S223-T226 PolarHBondContact OG-N 3.12Å; S223-T226 PolarHBondContact OG-OG1 3.48Å; T226-R228 VanDerWaalsContact C-N 3.31Å; T226-R228 PolarHBondContact O-N 3.39Å; T226-L229 PolarHBondContact O-N 3.42Å; T226-H230 PolarHBondContact O-CD2 3.33Å; T226-H230 PolarHBondContact O-N 2.84Å; T226-H230 VanDerWaalsContact O-N 3.09Å
227	F	94.8	Very high	92.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-48.1	175.8	-174.8	-74.3	0	0	0	110.8	V164 V166 I222 S223 H230 A231 L234 A260 L261 L264	V164-F227 HydrophobicContact CG1-CD2 4.49Å; V164-F227 HydrophobicContact CG1-CE2 4.37Å; V166-F227 HydrophobicContact CG1-CB 4.39Å; V166-F227 HydrophobicContact CG2-CD2 3.88Å; V166-F227 HydrophobicContact CG2-CE2 4.31Å; I222-F227 HydrophobicContact CD1-CB 4.28Å; I222-F227 HydrophobicContact CG1-CB 4.44Å; I222-F227 HydrophobicContact CG2-CB 4.27Å; I222-F227 HydrophobicContact CG2-CD2 4Å; S223-F227 VanDerWaalsContact O-CB 3.26Å; S223-F227 WeakPolarHBondContact O-CB 2.92Å; S223-F227 PolarHBondContact O-N 3.32Å; F227-H230 CarbonylContact O-C 3.57Å; F227-H230 PolarHBondContact O-N 3.12Å; F227-A231 WeakPolarHBondContact O-CA 3.47Å; F227-A231 PolarHBondContact O-N 3.39Å; F227-L234 HydrophobicContact CD1-CD1 4.38Å; F227-L234 HydrophobicContact CD2-CD1 3.55Å; F227-L234 HydrophobicContact CE1-CD1 4.42Å; F227-L234 HydrophobicContact CE2-CD1 3.65Å; F227-L234 HydrophobicContact CE2-CG 4.47Å; F227-L234 HydrophobicContact CG-CD1 3.93Å; F227-L234 HydrophobicContact CZ-CB 4.49Å; F227-L234 HydrophobicContact CZ-CD1 4.07Å; F227-A260 HydrophobicContact CD1-CB 4.24Å; F227-A260 HydrophobicContact CE1-CB 4.05Å; F227-L261 HydrophobicContact CD1-CD2 3.74Å; F227-L261 HydrophobicContact CD1-CG 4.12Å; F227-L261 HydrophobicContact CD2-CD2 3.99Å; F227-L261 HydrophobicContact CE1-CD2 3.56Å; F227-L261 HydrophobicContact CE1-CG 3.96Å; F227-L261 HydrophobicContact CE2-CD2 3.79Å; F227-L261 HydrophobicContact CG-CD2 3.99Å; F227-L261 HydrophobicContact CZ-CD2 3.6Å; F227-L261 HydrophobicContact CZ-CG 4.42Å; F227-L264 HydrophobicContact CE2-CD2 4.17Å; F227-L264 HydrophobicContact CZ-CB 4.25Å; F227-L264 HydrophobicContact CZ-CD1 4.37Å; F227-L264 HydrophobicContact CZ-CD2 4.11Å; F227-L264 HydrophobicContact CZ-CG 4.48Å
228	R	92.5	Very high	93.1	Very high	91 Å²	91	35.2 Å²	35.2	34%	0.343	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-46.5	179.5	-175.2	-177.7	68.4	-144.7	6.8	112.1	Y224 E225 T226 H230 A231 Q256 T257	Y224-R228 PolarHBondContact O-N 2.89Å; E225-R228 PolarHBondContact O-N 3.23Å; T226-R228 VanDerWaalsContact C-N 3.31Å; T226-R228 PolarHBondContact O-N 3.39Å; R228-H230 PolarHBondContact O-N 3.49Å; R228-A231 WeakPolarHBondContact O-CB 3.45Å; R228-A231 PolarHBondContact O-N 3.49Å; R228-Q256 HydrophobicContact CG-CB 4.49Å; R228-T257 PolarHBondContact NH1-OG1 3.1Å
229	L	92.5	Very high	93.3	Very high	119 Å²	119	34.1 Å²	34.1	62%	0.623	18%	0.182	S	C	*	.	H	α-helix	trans	-62.8	-29.5	-179.1	-71.7	171.3	0	0	0	113	E225 T226	E225-L229 WeakPolarHBondContact O-CG 3.42Å; E225-L229 PolarHBondContact O-N 3.05Å; E225-L229 VanDerWaalsContact O-N 3.07Å; T226-L229 PolarHBondContact O-N 3.42Å
230	H	94.4	Very high	93.1	Very high	10 Å²	10	33.6 Å²	33.6	5%	0.046	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	20	-175	-62.7	-85.2	0	0	0	113.4	D201 L204 T226 F227 R228 S232 V233 L234	D201-H230 IonicContact OD1-CE1 2.73Å; D201-H230 IonicContact OD1-CG 3.43Å; D201-H230 IonicContact OD1-ND1 3.53Å; D201-H230 PolarHBondContact OD1-ND1 2.9Å; L204-H230 HydrophobicContact CD1-CB 3.5Å; T226-H230 PolarHBondContact O-CD2 3.33Å; T226-H230 PolarHBondContact O-N 2.84Å; T226-H230 VanDerWaalsContact O-N 3.09Å; F227-H230 CarbonylContact O-C 3.57Å; F227-H230 PolarHBondContact O-N 3.12Å; R228-H230 PolarHBondContact O-N 3.49Å; H230-S232 PolarHBondContact O-N 3.43Å; H230-V233 PolarHBondContact O-N 3.39Å; H230-V233 VanDerWaalsContact O-N 3.12Å; H230-L234 PolarHBondContact O-N 3.48Å
231	A	94.4	Very high	93	Very high	12 Å²	12	35 Å²	35	10%	0.099	19%	0.188	C	C	.	.	H	α-helix	trans	-57.7	-37.5	-176.5	0	0	0	0	0	112.1	F227 R228 V233 L234 H235 A260	F227-A231 WeakPolarHBondContact O-CA 3.47Å; F227-A231 PolarHBondContact O-N 3.39Å; R228-A231 WeakPolarHBondContact O-CB 3.45Å; R228-A231 PolarHBondContact O-N 3.49Å; A231-V233 PolarHBondContact O-N 3.28Å; A231-L234 PolarHBondContact O-N 2.86Å; A231-L234 VanDerWaalsContact O-N 3.1Å; A231-H235 WeakPolarHBondContact O-CB 3.41Å; A231-H235 PolarHBondContact O-CD2 3.34Å; A231-H235 PolarHBondContact O-N 2.96Å; A231-H235 PolarHBondContact O-ND1 3.08Å; A231-A260 HydrophobicContact CB-CB 3.91Å
232	S	93.3	Very high	93	Very high	80 Å²	80	35 Å²	35	56%	0.559	19%	0.189	S	C	*	.	H	α-helix	trans	-60.1	-28.5	179.7	61.8	0	0	0	0	114	H230 K236	H230-S232 PolarHBondContact O-N 3.43Å; S232-K236 WeakPolarHBondContact O-CE 3.35Å; S232-K236 WeakPolarHBondContact O-CG 3.29Å
233	V	94.1	Very high	93	Very high	14 Å²	14	36.5 Å²	36.5	9%	0.085	20%	0.197	C	C	.	.	H	α-helix	trans	-81.4	-45.8	173.6	179.6	0	0	0	0	110.1	D201 L204 A205 L208 H230 A231 H235 K236	D201-V233 HydrophobicContact CB-CG2 4.1Å; D201-V233 VanDerWaalsContact OD1-CG2 3.28Å; D201-V233 WeakPolarHBondContact OD1-CG2 3.48Å; L204-V233 HydrophobicContact CB-CG1 3.83Å; A205-V233 HydrophobicContact CB-CG1 4.31Å; L208-V233 HydrophobicContact CD1-CG1 4.32Å; L208-V233 VanDerWaalsContact CD1-O 3.23Å; L208-V233 WeakPolarHBondContact CD1-O 3.43Å; H230-V233 PolarHBondContact O-N 3.39Å; H230-V233 VanDerWaalsContact O-N 3.12Å; A231-V233 PolarHBondContact O-N 3.28Å; V233-H235 VanDerWaalsContact C-N 3.29Å; V233-H235 PolarHBondContact O-N 2.77Å; V233-K236 WeakPolarHBondContact O-CB 3.31Å; V233-K236 PolarHBondContact O-N 3.11Å; V233-K236 VanDerWaalsContact O-N 3.13Å
234	L	94.2	Very high	93.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-37.3	-179.9	-74.7	159.7	0	0	0	113	L204 L220 I222 F227 H230 A231 K236 G237 L264	L204-L234 HydrophobicContact CD1-CD1 4.34Å; L204-L234 HydrophobicContact CD1-CG 4.23Å; L204-L234 HydrophobicContact CD2-CD2 3.95Å; L204-L234 HydrophobicContact CD2-CG 4.4Å; L220-L234 HydrophobicContact CD2-CD2 4.03Å; I222-L234 HydrophobicContact CD1-CD1 4.33Å; F227-L234 HydrophobicContact CD1-CD1 4.38Å; F227-L234 HydrophobicContact CD2-CD1 3.55Å; F227-L234 HydrophobicContact CE1-CD1 4.42Å; F227-L234 HydrophobicContact CE2-CD1 3.65Å; F227-L234 HydrophobicContact CE2-CG 4.47Å; F227-L234 HydrophobicContact CG-CD1 3.93Å; F227-L234 HydrophobicContact CZ-CB 4.49Å; F227-L234 HydrophobicContact CZ-CD1 4.07Å; H230-L234 PolarHBondContact O-N 3.48Å; A231-L234 PolarHBondContact O-N 2.86Å; A231-L234 VanDerWaalsContact O-N 3.1Å; L234-K236 PolarHBondContact O-N 2.86Å; L234-G237 PolarHBondContact O-N 2.82Å; L234-L264 HydrophobicContact CB-CD1 4.24Å
235	H	95.2	Very high	93.1	Very high	38 Å²	38	37.1 Å²	37.1	18%	0.176	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.7	178.9	-62.5	164.5	0	0	0	114.3	A231 V233 G237 A260 Q263	A231-H235 WeakPolarHBondContact O-CB 3.41Å; A231-H235 PolarHBondContact O-CD2 3.34Å; A231-H235 PolarHBondContact O-N 2.96Å; A231-H235 PolarHBondContact O-ND1 3.08Å; V233-H235 VanDerWaalsContact C-N 3.29Å; V233-H235 PolarHBondContact O-N 2.77Å; H235-G237 VanDerWaalsContact C-N 3.32Å; H235-A260 PolarHBondContact NE2-O 3.35Å; H235-Q263 VanDerWaalsContact CE1-CB 3.49Å; H235-Q263 WeakPolarHBondContact CE1-CB 3.26Å; H235-Q263 PolarHBondContact CE1-OE1 3.16Å; H235-Q263 WeakPolarHBondContact NE2-CB 3Å
236	K	91.8	Very high	92.9	Very high	161 Å²	161	35.4 Å²	35.4	70%	0.7	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-31	177.3	-65.7	174.1	-176.5	179.3	0	111.8	S232 V233 L234	S232-K236 WeakPolarHBondContact O-CE 3.35Å; S232-K236 WeakPolarHBondContact O-CG 3.29Å; V233-K236 WeakPolarHBondContact O-CB 3.31Å; V233-K236 PolarHBondContact O-N 3.11Å; V233-K236 VanDerWaalsContact O-N 3.13Å; L234-K236 PolarHBondContact O-N 2.86Å
237	G	87.9	Confident	92.4	Very high	15 Å²	15	34.7 Å²	34.7	16%	0.155	19%	0.188	C	C	.	.	S	Bend	trans	-100.8	176.4	-179.9	0	0	0	0	0	113.6	L234 H235	L234-G237 PolarHBondContact O-N 2.82Å; H235-G237 VanDerWaalsContact C-N 3.32Å
238	S	90.9	Very high	91.5	Very high	73 Å²	73	37.8 Å²	37.8	51%	0.51	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-118.5	149.6	170	58	0	0	0	0	110.7	K265	S238-K265 WeakPolarHBondContact CA-O 3.2Å
239	V	92.7	Very high	90.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	20%	0.203	C	C	.	.			trans	-132.7	143.3	-179.7	179.2	0	0	0	0	107.8	K162 V164 F207 L208 L241 K265 C266 P267	K162-V239 HydrophobicContact CB-CG1 4.42Å; K162-V239 WeakPolarHBondContact O-CG1 3.37Å; V164-V239 HydrophobicContact CB-CG1 4.31Å; V164-V239 HydrophobicContact CG2-CB 4.34Å; V164-V239 HydrophobicContact CG2-CG1 3.73Å; V164-V239 HydrophobicContact CG2-CG2 3.8Å; F207-V239 HydrophobicContact CE1-CG2 4.44Å; L208-V239 HydrophobicContact CD2-CG2 4.15Å; V239-L241 VanDerWaalsContact CG1-O 3.26Å; V239-L241 WeakPolarHBondContact CG1-O 3.23Å; V239-K265 PolarHBondContact N-O 3.49Å; V239-C266 WeakPolarHBondContact O-CA 3.34Å; V239-C266 PolarHBondContact O-SG 2.94Å; V239-C266 VanDerWaalsContact O-SG 3.39Å; V239-P267 VanDerWaalsContact O-CD 3.24Å; V239-P267 WeakPolarHBondContact O-CD 3.37Å
240	G	91.1	Very high	90.4	Very high	7 Å²	7	32.5 Å²	32.5	7%	0.072	17%	0.174	C	C	.	.	S	Bend	trans	-79.3	-23.2	-177.5	0	0	0	0	0	115	K162 R268	K162-G240 PolarHBondContact O-N 3.13Å; G240-R268 WeakPolarHBondContact O-CB 3.41Å
241	L	94.7	Very high	89.6	Confident	29 Å²	29	34 Å²	34	15%	0.152	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	138.4	179.5	175.6	61.9	0	0	0	112.2	I160 K162 A163 V164 V239 L243 C266 R268 V270	I160-L241 HydrophobicContact CD1-CB 3.86Å; I160-L241 HydrophobicContact CD1-CD2 3.7Å; I160-L241 HydrophobicContact CD1-CG 4.36Å; I160-L241 HydrophobicContact CG1-CB 4.21Å; I160-L241 HydrophobicContact CG2-CB 4.02Å; K162-L241 PolarHBondContact O-N 3.37Å; A163-L241 CarbonylContact C-O 3.54Å; A163-L241 VanDerWaalsContact CA-O 3.26Å; A163-L241 WeakPolarHBondContact CA-O 3.17Å; A163-L241 HydrophobicContact CB-CB 4.22Å; V164-L241 PolarHBondContact N-O 3.21Å; V239-L241 VanDerWaalsContact CG1-O 3.26Å; V239-L241 WeakPolarHBondContact CG1-O 3.23Å; L241-L243 HydrophobicContact CD2-CD1 3.6Å; L241-L243 HydrophobicContact CD2-CG 4.35Å; L241-L243 HydrophobicContact CG-CD1 3.79Å; L241-L243 HydrophobicContact CG-CG 4.41Å; L241-C266 VanDerWaalsContact CA-SG 3.5Å; L241-R268 WeakPolarHBondContact CA-O 3.36Å; L241-R268 HydrophobicContact CD1-CB 3.77Å; L241-V270 HydrophobicContact CD1-CG2 3.99Å
242	V	95.6	Very high	88.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.8	165.1	62.8	0	0	0	0	110.5	V164 V166 L264 C266 R268 R269 V270	V164-V242 HydrophobicContact CB-CG2 4.43Å; V164-V242 CarbonylContact O-C 3.55Å; V164-V242 VanDerWaalsContact O-CA 3.28Å; V164-V242 WeakPolarHBondContact O-CA 3.38Å; V166-V242 HydrophobicContact CG2-CG2 4.04Å; V242-L264 HydrophobicContact CB-CD2 4.32Å; V242-L264 HydrophobicContact CG2-CD2 4.44Å; V242-C266 HydrophobicContact CG1-CB 4.38Å; V242-C266 PolarHBondContact N-SG 3.38Å; V242-R268 PolarHBondContact N-O 2.8Å; V242-R269 HydrophobicContact CG1-CB 4.06Å; V242-R269 HydrophobicContact CG1-CG 3.64Å; V242-R269 WeakPolarHBondContact O-CA 3.26Å; V242-V270 PolarHBondContact O-N 2.96Å
243	L	96	Very high	88	Confident	31 Å²	31	35.5 Å²	35.5	16%	0.162	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.5	169	-64.7	100.7	0	0	0	109	V164 I165 V166 L241 V270 L272	V164-L243 PolarHBondContact O-N 3.44Å; I165-L243 CarbonylContact C-O 3.51Å; I165-L243 WeakPolarHBondContact CA-O 3.41Å; I165-L243 HydrophobicContact CG1-CB 4.28Å; I165-L243 HydrophobicContact CG1-CD1 4.01Å; V166-L243 PolarHBondContact N-O 3.35Å; L241-L243 HydrophobicContact CD2-CD1 3.6Å; L241-L243 HydrophobicContact CD2-CG 4.35Å; L241-L243 HydrophobicContact CG-CD1 3.79Å; L241-L243 HydrophobicContact CG-CG 4.41Å; L243-V270 CarbonylContact C-O 3.54Å; L243-V270 WeakPolarHBondContact CA-O 3.42Å; L243-V270 HydrophobicContact CD2-CB 4.42Å; L243-V270 HydrophobicContact CD2-CG1 4.38Å; L243-V270 HydrophobicContact CG-CB 4.26Å; L243-L272 HydrophobicContact CD2-CD1 4.34Å
244	C	94.3	Very high	87.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	109.4	177.1	-78.9	0	0	0	0	108.1	V166 Y224 L250 V270 L271 L272 F290	V166-C244 WeakPolarHBondContact O-CA 3.42Å; Y224-C244 WeakPolarHBondContact OH-CB 3.31Å; C244-L250 HydrophobicContact CB-CD1 3.99Å; C244-V270 PolarHBondContact N-O 2.93Å; C244-L271 HydrophobicContact CB-CD2 3.42Å; C244-L271 VanDerWaalsContact CB-CD2 3.42Å; C244-L272 PolarHBondContact O-N 3.17Å; C244-F290 HydrophobicContact CB-CE1 4.39Å
245	D	91.9	Very high	86.7	Confident	19 Å²	19	45.4 Å²	45.4	10%	0.102	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	144.3	-179	-170.4	26.6	0	0	0	111.2	V166 T167 L171 W175 Y224	V166-D245 PolarHBondContact O-N 3.4Å; T167-D245 PolarHBondContact OG1-OD2 3Å; T167-D245 VanDerWaalsContact OG1-OD2 3.11Å; L171-D245 WeakPolarHBondContact CD1-OD2 3.21Å; W175-D245 HydrophobicContact CZ2-CB 4.37Å; W175-D245 PolarHBondContact NE1-OD2 3.4Å; Y224-D245 VanDerWaalsContact CE2-O 3.26Å; Y224-D245 WeakPolarHBondContact CE2-O 3.39Å; Y224-D245 PolarHBondContact OH-N 2.86Å; Y224-D245 PolarHBondContact OH-O 3.32Å
246	E	85.4	Confident	86.2	Confident	22 Å²	22	50.4 Å²	50.4	10%	0.103	25%	0.254	C	S	.	.	S	Bend	trans	53.4	52.6	-167.2	-61.2	-60.3	166.5	0	0	112.4	P168 L171 H248 R249 L272	P168-E246 HydrophobicContact CG-CB 4.02Å; P168-E246 HydrophobicContact CG-CG 4.03Å; L171-E246 HydrophobicContact CD1-CG 4.06Å; E246-H248 PolarHBondContact O-N 3.48Å; E246-H248 IonicContact OE2-CE1 3.53Å; E246-H248 PolarHBondContact OE2-CE1 2.88Å; E246-H248 IonicContact OE2-ND1 3.33Å; E246-H248 PolarHBondContact OE2-ND1 2.85Å; E246-H248 VanDerWaalsContact OE2-ND1 3.14Å; E246-R249 WeakPolarHBondContact O-CG 3.34Å; E246-R249 PolarHBondContact O-N 3.18Å; E246-L272 CarbonylContact C-O 3.46Å; E246-L272 WeakPolarHBondContact CA-O 3.38Å; E246-L272 PolarHBondContact N-O 3.09Å
247	G	82.2	Confident	86.2	Confident	2 Å²	2	43.3 Å²	43.3	2%	0.021	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-55.3	-15.1	-176.7	0	0	0	0	0	114.9	R249 L250 L272 L287	G247-R249 PolarHBondContact O-N 3.23Å; G247-R249 VanDerWaalsContact O-N 3.09Å; G247-L250 WeakPolarHBondContact O-CB 3.44Å; G247-L250 PolarHBondContact O-N 3.12Å; G247-L272 PolarHBondContact N-O 3.15Å; G247-L287 WeakPolarHBondContact O-CD2 3.48Å
248	H	77.2	Confident	86.3	Confident	66 Å²	66	42.9 Å²	42.9	31%	0.306	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-56.4	-20.3	167.8	73	-99.5	0	0	0	112.9	E246 L250 K251	E246-H248 PolarHBondContact O-N 3.48Å; E246-H248 IonicContact OE2-CE1 3.53Å; E246-H248 PolarHBondContact OE2-CE1 2.88Å; E246-H248 IonicContact OE2-ND1 3.33Å; E246-H248 PolarHBondContact OE2-ND1 2.85Å; E246-H248 VanDerWaalsContact OE2-ND1 3.14Å; H248-L250 PolarHBondContact O-N 3.34Å; H248-K251 HydrophobicContact CB-CD 4.32Å; H248-K251 WeakPolarHBondContact O-CD 3.43Å; H248-K251 WeakPolarHBondContact O-CG 3.32Å
249	R	78.9	Confident	86.3	Confident	97 Å²	97	43.1 Å²	43.1	37%	0.366	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-67.8	-14.8	172	-61.4	-168.4	99.9	-152.9	6.5	113.9	E225 E246 G247	E225-R249 IonicContact OE1-CZ 2.71Å; E225-R249 IonicContact OE1-NH1 2.67Å; E225-R249 PolarHBondContact OE1-NH1 3.39Å; E225-R249 IonicContact OE1-NH2 3.27Å; E225-R249 PolarHBondContact OE1-NH2 3.49Å; E225-R249 IonicContact OE2-NH1 3.56Å; E246-R249 WeakPolarHBondContact O-CG 3.34Å; E246-R249 PolarHBondContact O-N 3.18Å; G247-R249 PolarHBondContact O-N 3.23Å; G247-R249 VanDerWaalsContact O-N 3.09Å
250	L	81.8	Confident	86.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-105.5	20.3	-176.1	-60.9	-178.5	0	0	0	113.3	Y224 C244 G247 H248 N252 T257 Y258 L261 L271 L287 F290	Y224-L250 HydrophobicContact CD1-CD2 4.47Å; Y224-L250 HydrophobicContact CE1-CD1 4.16Å; Y224-L250 HydrophobicContact CE1-CD2 3.98Å; Y224-L250 HydrophobicContact CE1-CG 4.14Å; C244-L250 HydrophobicContact CB-CD1 3.99Å; G247-L250 WeakPolarHBondContact O-CB 3.44Å; G247-L250 PolarHBondContact O-N 3.12Å; H248-L250 PolarHBondContact O-N 3.34Å; L250-N252 VanDerWaalsContact C-N 3.33Å; L250-N252 PolarHBondContact O-N 2.89Å; L250-T257 HydrophobicContact CD2-CG2 4.48Å; L250-Y258 HydrophobicContact CB-CD2 4.05Å; L250-Y258 HydrophobicContact CD2-CD2 4.46Å; L250-L261 HydrophobicContact CD1-CD1 3.84Å; L250-L261 HydrophobicContact CD2-CD1 3.71Å; L250-L261 HydrophobicContact CG-CD1 4.43Å; L250-L271 HydrophobicContact CD1-CD2 3.69Å; L250-L287 HydrophobicContact CB-CD2 4.2Å; L250-F290 HydrophobicContact CD1-CE1 4.37Å; L250-F290 HydrophobicContact CD1-CZ 4.34Å
251	K	77.5	Confident	86.5	Confident	41 Å²	41	42.9 Å²	42.9	18%	0.178	21%	0.209	C	C	.	.			trans	-60	-37.5	177.7	-81.5	169.5	163.2	-121.7	0	113.7	H248 E283 S286	H248-K251 HydrophobicContact CB-CD 4.32Å; H248-K251 WeakPolarHBondContact O-CD 3.43Å; H248-K251 WeakPolarHBondContact O-CG 3.32Å; K251-E283 HydrophobicContact CB-CB 4.33Å; K251-E283 HydrophobicContact CB-CG 3.72Å; K251-E283 VanDerWaalsContact CD-CD 3.44Å; K251-E283 HydrophobicContact CD-CG 4.48Å; K251-E283 WeakPolarHBondContact CD-OE1 3.44Å; K251-E283 VanDerWaalsContact CD-OE2 3.27Å; K251-E283 WeakPolarHBondContact CD-OE2 3.46Å; K251-E283 WeakPolarHBondContact CE-OE2 3.24Å; K251-E283 HydrophobicContact CG-CB 4.24Å; K251-E283 HydrophobicContact CG-CG 3.93Å; K251-E283 WeakPolarHBondContact CG-OE2 3.06Å; K251-E283 IonicContact NZ-OE1 3.15Å; K251-E283 PolarHBondContact NZ-OE1 3.31Å; K251-E283 IonicContact NZ-OE2 3.3Å; K251-E283 PolarHBondContact NZ-OE2 2.91Å; K251-S286 WeakPolarHBondContact O-CB 3.25Å; K251-S286 PolarHBondContact O-OG 3.15Å
252	N	77	Confident	86.3	Confident	87 Å²	87	42.9 Å²	42.9	47%	0.465	21%	0.21	S	C	.	.			trans	-100.2	114.7	179.3	-175.8	-11.2	0	0	0	111	L250 E254 N255	L250-N252 VanDerWaalsContact C-N 3.33Å; L250-N252 PolarHBondContact O-N 2.89Å; N252-E254 VanDerWaalsContact C-N 3.28Å; N252-E254 PolarHBondContact O-N 3.02Å; N252-E254 VanDerWaalsContact OD1-CB 3.31Å; N252-E254 WeakPolarHBondContact OD1-CB 3.41Å; N252-E254 PolarHBondContact OD1-N 3.02Å; N252-N255 VanDerWaalsContact O-CB 3.24Å; N252-N255 WeakPolarHBondContact O-CB 3.34Å; N252-N255 PolarHBondContact O-N 3.23Å
253	S	77.1	Confident	86.1	Confident	38 Å²	38	48.3 Å²	48.3	27%	0.266	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.5	178.8	58.1	0	0	0	0	114	N255 Y258 Q259	S253-N255 PolarHBondContact O-N 2.86Å; S253-Y258 VanDerWaalsContact O-CD1 3.24Å; S253-Y258 WeakPolarHBondContact O-CD1 3.09Å; S253-Q259 PolarHBondContact O-NE2 3.4Å
254	E	76.9	Confident	86.1	Confident	164 Å²	164	47 Å²	47	77%	0.766	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.7	175.9	-56.4	-175.6	163.6	0	0	112.7	N252 Q256	N252-E254 VanDerWaalsContact C-N 3.28Å; N252-E254 PolarHBondContact O-N 3.02Å; N252-E254 VanDerWaalsContact OD1-CB 3.31Å; N252-E254 WeakPolarHBondContact OD1-CB 3.41Å; N252-E254 PolarHBondContact OD1-N 3.02Å; E254-Q256 PolarHBondContact O-N 2.99Å
255	N	83.7	Confident	86	Confident	58 Å²	58	53.3 Å²	53.3	31%	0.31	26%	0.256	S	S	.	.	S	Bend	trans	-61.1	129.2	178.7	-172.5	-25.1	0	0	0	110.2	N252 S253 T257 Y258 Q259	N252-N255 VanDerWaalsContact O-CB 3.24Å; N252-N255 WeakPolarHBondContact O-CB 3.34Å; N252-N255 PolarHBondContact O-N 3.23Å; S253-N255 PolarHBondContact O-N 2.86Å; N255-T257 PolarHBondContact O-N 3.01Å; N255-T257 WeakPolarHBondContact OD1-CB 3.32Å; N255-T257 PolarHBondContact OD1-N 2.94Å; N255-T257 PolarHBondContact OD1-OG1 3.07Å; N255-Y258 WeakPolarHBondContact O-CA 3.37Å; N255-Y258 VanDerWaalsContact O-CB 3.29Å; N255-Y258 WeakPolarHBondContact O-CB 3.41Å; N255-Y258 PolarHBondContact O-N 3.5Å; N255-Q259 PolarHBondContact O-N 3.04Å
256	Q	86.5	Confident	86.1	Confident	143 Å²	143	53 Å²	53	67%	0.668	26%	0.255	S	S	*	.	H	α-helix	trans	-51.7	-32.3	176.9	-64.5	177.5	10.4	0	0	112.9	R228 E254 A260	R228-Q256 HydrophobicContact CG-CB 4.49Å; E254-Q256 PolarHBondContact O-N 2.99Å; Q256-A260 VanDerWaalsContact O-CB 3.3Å; Q256-A260 WeakPolarHBondContact O-CB 3.42Å; Q256-A260 PolarHBondContact O-N 2.97Å
257	T	90	Very high	86.3	Confident	11 Å²	11	56.9 Å²	56.9	7%	0.067	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-42.9	176.5	-44.6	0	0	0	0	111.6	Y224 R228 L250 N255 L261	Y224-T257 HydrophobicContact CD1-CG2 3.64Å; Y224-T257 HydrophobicContact CG-CG2 4.3Å; R228-T257 PolarHBondContact NH1-OG1 3.1Å; L250-T257 HydrophobicContact CD2-CG2 4.48Å; N255-T257 PolarHBondContact O-N 3.01Å; N255-T257 WeakPolarHBondContact OD1-CB 3.32Å; N255-T257 PolarHBondContact OD1-N 2.94Å; N255-T257 PolarHBondContact OD1-OG1 3.07Å; T257-L261 HydrophobicContact CG2-CD1 4.36Å; T257-L261 WeakPolarHBondContact O-CD1 3.33Å; T257-L261 VanDerWaalsContact O-CG 3.32Å; T257-L261 WeakPolarHBondContact O-CG 3.36Å; T257-L261 PolarHBondContact O-N 3.43Å; T257-L261 VanDerWaalsContact O-N 3.14Å
258	Y	91	Very high	86.8	Confident	6 Å²	6	62 Å²	62	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-49.5	175.8	-178.2	-83	0	0	0	110.3	L250 S253 N255 A260 L261 V262 S286 F290	L250-Y258 HydrophobicContact CB-CD2 4.05Å; L250-Y258 HydrophobicContact CD2-CD2 4.46Å; S253-Y258 VanDerWaalsContact O-CD1 3.24Å; S253-Y258 WeakPolarHBondContact O-CD1 3.09Å; N255-Y258 WeakPolarHBondContact O-CA 3.37Å; N255-Y258 VanDerWaalsContact O-CB 3.29Å; N255-Y258 WeakPolarHBondContact O-CB 3.41Å; N255-Y258 PolarHBondContact O-N 3.5Å; Y258-A260 PolarHBondContact O-N 2.96Å; Y258-L261 PolarHBondContact O-N 3.05Å; Y258-L261 VanDerWaalsContact O-N 3.11Å; Y258-V262 HydrophobicContact CD1-CG2 3.77Å; Y258-V262 HydrophobicContact CE1-CG2 3.42Å; Y258-V262 VanDerWaalsContact CE1-CG2 3.42Å; Y258-V262 WeakPolarHBondContact O-CG2 3.48Å; Y258-V262 PolarHBondContact O-N 3.1Å; Y258-S286 PolarHBondContact OH-O 3.36Å; Y258-F290 HydrophobicContact CE2-CB 3.86Å; Y258-F290 HydrophobicContact CE2-CD2 4.09Å; Y258-F290 HydrophobicContact CE2-CG 4.32Å; Y258-F290 PolarHBondContact OH-N 3.26Å
259	Q	91.4	Very high	87.6	Confident	78 Å²	78	60.2 Å²	60.2	36%	0.364	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-43.8	179.1	-66.5	-61.6	-30	0	0	112.4	S253 N255 L261 V262 Q263	S253-Q259 PolarHBondContact O-NE2 3.4Å; N255-Q259 PolarHBondContact O-N 3.04Å; Q259-L261 VanDerWaalsContact C-N 3.31Å; Q259-L261 PolarHBondContact O-N 2.77Å; Q259-V262 PolarHBondContact O-N 2.85Å; Q259-Q263 VanDerWaalsContact O-CG 3.32Å; Q259-Q263 WeakPolarHBondContact O-CG 3.27Å; Q259-Q263 PolarHBondContact O-N 3.36Å
260	A	92.9	Very high	88.3	Confident	7 Å²	7	58.2 Å²	58.2	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-41.5	175.5	0	0	0	0	0	112.1	F227 A231 H235 Q256 Y258	F227-A260 HydrophobicContact CD1-CB 4.24Å; F227-A260 HydrophobicContact CE1-CB 4.05Å; A231-A260 HydrophobicContact CB-CB 3.91Å; H235-A260 PolarHBondContact NE2-O 3.35Å; Q256-A260 VanDerWaalsContact O-CB 3.3Å; Q256-A260 WeakPolarHBondContact O-CB 3.42Å; Q256-A260 PolarHBondContact O-N 2.97Å; Y258-A260 PolarHBondContact O-N 2.96Å
261	L	93.8	Very high	88.7	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-37.9	178.8	-69.5	164.3	0	0	0	112.2	V166 Y224 F227 L250 T257 Y258 Q259 Q263 L264 R269 F290	V166-L261 HydrophobicContact CB-CD2 4.39Å; V166-L261 HydrophobicContact CG1-CD2 4.31Å; V166-L261 HydrophobicContact CG2-CD2 3.75Å; Y224-L261 HydrophobicContact CD1-CD1 4.06Å; Y224-L261 HydrophobicContact CE1-CD1 3.81Å; F227-L261 HydrophobicContact CD1-CD2 3.74Å; F227-L261 HydrophobicContact CD1-CG 4.12Å; F227-L261 HydrophobicContact CD2-CD2 3.99Å; F227-L261 HydrophobicContact CE1-CD2 3.56Å; F227-L261 HydrophobicContact CE1-CG 3.96Å; F227-L261 HydrophobicContact CE2-CD2 3.79Å; F227-L261 HydrophobicContact CG-CD2 3.99Å; F227-L261 HydrophobicContact CZ-CD2 3.6Å; F227-L261 HydrophobicContact CZ-CG 4.42Å; L250-L261 HydrophobicContact CD1-CD1 3.84Å; L250-L261 HydrophobicContact CD2-CD1 3.71Å; L250-L261 HydrophobicContact CG-CD1 4.43Å; T257-L261 HydrophobicContact CG2-CD1 4.36Å; T257-L261 WeakPolarHBondContact O-CD1 3.33Å; T257-L261 VanDerWaalsContact O-CG 3.32Å; T257-L261 WeakPolarHBondContact O-CG 3.36Å; T257-L261 PolarHBondContact O-N 3.43Å; T257-L261 VanDerWaalsContact O-N 3.14Å; Y258-L261 PolarHBondContact O-N 3.05Å; Y258-L261 VanDerWaalsContact O-N 3.11Å; Q259-L261 VanDerWaalsContact C-N 3.31Å; Q259-L261 PolarHBondContact O-N 2.77Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; L261-L264 WeakPolarHBondContact O-CB 3.32Å; L261-L264 PolarHBondContact O-N 3.42Å; L261-R269 PolarHBondContact O-NH1 2.9Å; L261-R269 PolarHBondContact O-NH2 2.8Å; L261-F290 HydrophobicContact CB-CE2 3.57Å; L261-F290 HydrophobicContact CB-CZ 3.97Å
262	V	91.3	Very high	89.3	Confident	28 Å²	28	61 Å²	61	17%	0.17	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-42.6	175.4	171.1	0	0	0	0	111.1	Y258 Q259 L264 R269 F290 M293	Y258-V262 HydrophobicContact CD1-CG2 3.77Å; Y258-V262 HydrophobicContact CE1-CG2 3.42Å; Y258-V262 VanDerWaalsContact CE1-CG2 3.42Å; Y258-V262 WeakPolarHBondContact O-CG2 3.48Å; Y258-V262 PolarHBondContact O-N 3.1Å; Q259-V262 PolarHBondContact O-N 2.85Å; V262-L264 PolarHBondContact O-N 3.35Å; V262-R269 PolarHBondContact O-NH2 2.93Å; V262-F290 HydrophobicContact CG2-CD2 3.79Å; V262-F290 HydrophobicContact CG2-CE2 4.2Å; V262-M293 HydrophobicContact CG1-SD 4.3Å
263	Q	92.4	Very high	89.5	Confident	116 Å²	116	59.3 Å²	59.3	54%	0.542	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.8	179.5	-70.8	172.6	8.4	0	0	114.5	H235 Q259 L261 K265	H235-Q263 VanDerWaalsContact CE1-CB 3.49Å; H235-Q263 WeakPolarHBondContact CE1-CB 3.26Å; H235-Q263 PolarHBondContact CE1-OE1 3.16Å; H235-Q263 WeakPolarHBondContact NE2-CB 3Å; Q259-Q263 VanDerWaalsContact O-CG 3.32Å; Q259-Q263 WeakPolarHBondContact O-CG 3.27Å; Q259-Q263 PolarHBondContact O-N 3.36Å; L261-Q263 VanDerWaalsContact C-N 3.34Å; Q263-K265 PolarHBondContact O-N 3.04Å
264	L	94.3	Very high	89.4	Confident	4 Å²	4	60 Å²	60	2%	0.021	31%	0.314	C	S	.	.	S	Bend	trans	-64.5	128.3	174.3	-174.7	68.1	0	0	0	110.9	F227 L234 V242 L261 V262 C266 R269	F227-L264 HydrophobicContact CE2-CD2 4.17Å; F227-L264 HydrophobicContact CZ-CB 4.25Å; F227-L264 HydrophobicContact CZ-CD1 4.37Å; F227-L264 HydrophobicContact CZ-CD2 4.11Å; F227-L264 HydrophobicContact CZ-CG 4.48Å; L234-L264 HydrophobicContact CB-CD1 4.24Å; V242-L264 HydrophobicContact CB-CD2 4.32Å; V242-L264 HydrophobicContact CG2-CD2 4.44Å; L261-L264 WeakPolarHBondContact O-CB 3.32Å; L261-L264 PolarHBondContact O-N 3.42Å; V262-L264 PolarHBondContact O-N 3.35Å; L264-C266 VanDerWaalsContact C-N 3.33Å; L264-C266 HydrophobicContact CD2-CB 4.2Å; L264-C266 HydrophobicContact CG-CB 4.22Å; L264-C266 PolarHBondContact O-N 2.85Å; L264-R269 PolarHBondContact O-NH2 3.02Å
265	K	93	Very high	89.2	Confident	131 Å²	131	53 Å²	53	57%	0.57	28%	0.283	S	S	*	.	B	Isolated β-bridge	trans	-70.4	87.6	174.6	-62.6	177	-174.9	173.4	0	110.2	S238 V239 Q263	S238-K265 WeakPolarHBondContact CA-O 3.2Å; V239-K265 PolarHBondContact N-O 3.49Å; Q263-K265 PolarHBondContact O-N 3.04Å
266	C	93	Very high	88.1	Confident	14 Å²	14	52.2 Å²	52.2	10%	0.095	28%	0.281	C	S	.	.			trans	-145	118.9	-176.3	-172.3	0	0	0	0	111.6	V239 L241 V242 L264 R268	V239-C266 WeakPolarHBondContact O-CA 3.34Å; V239-C266 PolarHBondContact O-SG 2.94Å; V239-C266 VanDerWaalsContact O-SG 3.39Å; L241-C266 VanDerWaalsContact CA-SG 3.5Å; V242-C266 HydrophobicContact CG1-CB 4.38Å; V242-C266 PolarHBondContact N-SG 3.38Å; L264-C266 VanDerWaalsContact C-N 3.33Å; L264-C266 HydrophobicContact CD2-CB 4.2Å; L264-C266 HydrophobicContact CG-CB 4.22Å; L264-C266 PolarHBondContact O-N 2.85Å; C266-R268 PolarHBondContact SG-O 2.86Å
267	P	89.7	Confident	86.8	Confident	103 Å²	103	47.4 Å²	47.4	67%	0.669	26%	0.259	S	S	*	.	S	Bend	trans	-77.5	-20.2	-176.1	30.7	-33.7	0	0	0	113.4	V239	V239-P267 VanDerWaalsContact O-CD 3.24Å; V239-P267 WeakPolarHBondContact O-CD 3.37Å
268	R	93.1	Very high	85.3	Confident	109 Å²	109	48.3 Å²	48.3	41%	0.411	26%	0.263	S	S	.	.			trans	-124.9	132.8	-176.5	-57.5	-179	-175.6	87.2	0.2	110.7	I159 G240 L241 V242 C266	I159-R268 PolarHBondContact O-NH1 3.16Å; G240-R268 WeakPolarHBondContact O-CB 3.41Å; L241-R268 WeakPolarHBondContact CA-O 3.36Å; L241-R268 HydrophobicContact CD1-CB 3.77Å; V242-R268 PolarHBondContact N-O 2.8Å; C266-R268 PolarHBondContact SG-O 2.86Å
269	R	93.7	Very high	83.7	Confident	28 Å²	28	49 Å²	49	11%	0.106	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.5	-173.7	-58.7	179.8	173.7	-117	2.7	108.9	V242 L261 V262 L264 F290	V242-R269 HydrophobicContact CG1-CB 4.06Å; V242-R269 HydrophobicContact CG1-CG 3.64Å; V242-R269 WeakPolarHBondContact O-CA 3.26Å; L261-R269 PolarHBondContact O-NH1 2.9Å; L261-R269 PolarHBondContact O-NH2 2.8Å; V262-R269 PolarHBondContact O-NH2 2.93Å; L264-R269 PolarHBondContact O-NH2 3.02Å; R269-F290 HydrophobicContact CB-CE1 4.26Å; R269-F290 WeakPolarHBondContact CD-O 3.5Å
270	V	93.5	Very high	82.4	Confident	55 Å²	55	47.6 Å²	47.6	33%	0.333	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.1	178.9	176.4	0	0	0	0	108.9	L241 V242 L243 C244 L272	L241-V270 HydrophobicContact CD1-CG2 3.99Å; V242-V270 PolarHBondContact O-N 2.96Å; L243-V270 CarbonylContact C-O 3.54Å; L243-V270 WeakPolarHBondContact CA-O 3.42Å; L243-V270 HydrophobicContact CD2-CB 4.42Å; L243-V270 HydrophobicContact CD2-CG1 4.38Å; L243-V270 HydrophobicContact CG-CB 4.26Å; C244-V270 PolarHBondContact N-O 2.93Å; V270-L272 HydrophobicContact CG1-CD2 3.96Å; V270-L272 HydrophobicContact CG1-CG 4.4Å
271	L	90.9	Very high	81.7	Confident	39 Å²	39	47.7 Å²	47.7	20%	0.204	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.8	170.4	-70.7	169	0	0	0	109.5	C244 L250 L287 F290 V291	C244-L271 HydrophobicContact CB-CD2 3.42Å; C244-L271 VanDerWaalsContact CB-CD2 3.42Å; L250-L271 HydrophobicContact CD1-CD2 3.69Å; L271-L287 HydrophobicContact CD1-CB 3.97Å; L271-L287 HydrophobicContact CD1-CD2 3.75Å; L271-L287 HydrophobicContact CD1-CG 4.45Å; L271-L287 WeakPolarHBondContact CD1-O 3.38Å; L271-F290 HydrophobicContact CD1-CB 4.41Å; L271-F290 HydrophobicContact CD1-CD1 3.83Å; L271-F290 HydrophobicContact CD1-CG 4.5Å; L271-F290 HydrophobicContact CD2-CD1 3.82Å; L271-F290 HydrophobicContact CD2-CE1 3.91Å; L271-F290 HydrophobicContact CG-CD1 3.78Å; L271-F290 HydrophobicContact CG-CE1 4.18Å; L271-V291 HydrophobicContact CB-CG2 4.21Å; L271-V291 HydrophobicContact CD1-CG2 3.61Å; L271-V291 HydrophobicContact CG-CG2 3.78Å
272	L	90.2	Very high	80.9	Confident	62 Å²	62	51.5 Å²	51.5	33%	0.325	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.2	171.5	-54.9	175.8	0	0	0	107.7	W175 L243 C244 E246 G247 V270	W175-L272 HydrophobicContact CH2-CD1 4.02Å; W175-L272 HydrophobicContact CZ2-CD1 3.91Å; L243-L272 HydrophobicContact CD2-CD1 4.34Å; C244-L272 PolarHBondContact O-N 3.17Å; E246-L272 CarbonylContact C-O 3.46Å; E246-L272 WeakPolarHBondContact CA-O 3.38Å; E246-L272 PolarHBondContact N-O 3.09Å; G247-L272 PolarHBondContact N-O 3.15Å; V270-L272 HydrophobicContact CG1-CD2 3.96Å; V270-L272 HydrophobicContact CG1-CG 4.4Å
273	S	82	Confident	80.3	Confident	52 Å²	52	51.1 Å²	51.1	36%	0.364	28%	0.278	S	S	.	.			trans	-142.4	132.6	176.6	-178.2	0	0	0	0	109.5	T275	S273-T275 VanDerWaalsContact C-N 3.32Å; S273-T275 PolarHBondContact OG-N 2.77Å; S273-T275 PolarHBondContact OG-O 2.96Å; S273-T275 PolarHBondContact OG-OG1 3.14Å
274	G	75.2	Confident	79.7	Confident	52 Å²	52	45.9 Å²	45.9	54%	0.536	25%	0.253	S	S	.	.	S	Bend	trans	-79.5	-16.8	171.5	0	0	0	0	0	113.2
275	T	71.3	Confident	79.2	Confident	16 Å²	16	46.3 Å²	46.3	10%	0.098	26%	0.255	C	S	.	.	S	Bend	trans	-101	135.9	176.4	62.3	0	0	0	0	109.9	S273 I277 A560	S273-T275 VanDerWaalsContact C-N 3.32Å; S273-T275 PolarHBondContact OG-N 2.77Å; S273-T275 PolarHBondContact OG-O 2.96Å; S273-T275 PolarHBondContact OG-OG1 3.14Å; T275-I277 PolarHBondContact O-N 3.15Å; T275-A560 HydrophobicContact CG2-CB 3.81Å
276	P	60.9	Low	78.9	Confident	43 Å²	43	40.2 Å²	40.2	28%	0.279	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-54.7	140.1	169.9	24.4	-31.9	0	0	0	109.5	Q278	P276-Q278 PolarHBondContact O-N 3.3Å
277	I	58.7	Low	78.5	Confident	41 Å²	41	40 Å²	40	21%	0.21	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-63.1	122.7	174.8	-58.1	171.4	0	0	0	106.5	T275 Y284 L287 I341	T275-I277 PolarHBondContact O-N 3.15Å; I277-Y284 HydrophobicContact CB-CD2 4.41Å; I277-Y284 HydrophobicContact CG2-CD2 3.74Å; I277-Y284 HydrophobicContact CG2-CE2 4.46Å; I277-L287 HydrophobicContact CB-CD1 4.3Å; I277-L287 HydrophobicContact CD1-CD1 3.7Å; I277-L287 HydrophobicContact CG1-CD1 3.74Å; I277-L287 HydrophobicContact CG2-CD1 3.61Å; I277-I341 HydrophobicContact CD1-CD1 4.15Å
278	Q	58.5	Low	78.4	Confident	31 Å²	31	35.3 Å²	35.3	15%	0.145	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-92.7	119.1	-177.2	-68.1	176.2	-27.2	0	0	108	P276 D280 Q611	P276-Q278 PolarHBondContact O-N 3.3Å; Q278-D280 PolarHBondContact O-N 3.05Å; Q278-Q611 HydrophobicContact CB-CG 4.08Å
279	N	57.2	Low	78.1	Confident	20 Å²	20	32.2 Å²	32.2	11%	0.107	19%	0.186	C	C	.	.	S	Bend		55.6	-6.9	120	-59.5	6.5	0	0	0	122.1	D609 Q610 Q611	N279-D609 WeakPolarHBondContact CB-O 3.43Å; N279-D609 VanDerWaalsContact ND2-CB 3.33Å; N279-D609 WeakPolarHBondContact ND2-CB 3.49Å; N279-D609 PolarHBondContact ND2-O 3.36Å; N279-D609 WeakPolarHBondContact OD1-CA 3.49Å; N279-D609 PolarHBondContact OD1-N 3.17Å; N279-Q610 VanDerWaalsContact CB-N 3.3Å; N279-Q610 PolarHBondContact ND2-O 2.97Å; N279-Q610 WeakPolarHBondContact O-CA 3.43Å; N279-Q610 PolarHBondContact O-N 3.1Å; N279-Q611 HydrophobicContact CB-CG 4.17Å; N279-Q611 VanDerWaalsContact CB-N 3.33Å; N279-Q611 PolarHBondContact O-N 3.43Å
280	D	65.7	Low	77.9	Confident	48 Å²	48	30.9 Å²	30.9	26%	0.257	18%	0.181	S	C	.	.			trans	-105.4	114	169.3	-179.1	-9.9	0	0	0	106.6	Q278 L282 E283 Y284 Q611	Q278-D280 PolarHBondContact O-N 3.05Å; D280-L282 PolarHBondContact O-N 3.24Å; D280-L282 WeakPolarHBondContact OD1-CA 3.46Å; D280-L282 VanDerWaalsContact OD1-CB 3.24Å; D280-L282 WeakPolarHBondContact OD1-CB 3.45Å; D280-L282 PolarHBondContact OD1-N 3.09Å; D280-E283 HydrophobicContact CB-CB 3.94Å; D280-E283 HydrophobicContact CB-CG 3.7Å; D280-E283 WeakPolarHBondContact O-CB 3.47Å; D280-E283 PolarHBondContact O-N 2.93Å; D280-E283 VanDerWaalsContact O-N 3.13Å; D280-Y284 WeakPolarHBondContact O-CB 3.49Å; D280-Y284 PolarHBondContact O-N 2.88Å; D280-Q611 HydrophobicContact CB-CG 4.11Å
281	L	77.6	Confident	77.7	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-28.7	178.9	-69.9	173.6	0	0	0	111.2	Y284 F285 F302 E307 I310 L311 L333 V608	L281-Y284 PolarHBondContact O-N 2.99Å; L281-F285 VanDerWaalsContact O-CB 3.31Å; L281-F285 WeakPolarHBondContact O-CB 3.29Å; L281-F285 PolarHBondContact O-N 3.49Å; L281-F302 HydrophobicContact CB-CE1 4.01Å; L281-F302 HydrophobicContact CB-CZ 4.11Å; L281-F302 VanDerWaalsContact O-CE1 3.28Å; L281-F302 WeakPolarHBondContact O-CE1 3.43Å; L281-F302 WeakPolarHBondContact O-CZ 3.36Å; L281-E307 HydrophobicContact CB-CG 4.15Å; L281-E307 HydrophobicContact CD1-CB 4.35Å; L281-E307 HydrophobicContact CD1-CG 4.19Å; L281-I310 HydrophobicContact CD1-CB 3.91Å; L281-I310 HydrophobicContact CD1-CD1 4.1Å; L281-I310 HydrophobicContact CD1-CG2 3.85Å; L281-I310 HydrophobicContact CD2-CD1 4.31Å; L281-L311 HydrophobicContact CD1-CG 4.46Å; L281-L333 HydrophobicContact CD2-CD2 4.05Å; L281-V608 HydrophobicContact CD2-CG1 3.76Å
282	L	77.6	Confident	77.6	Confident	80 Å²	80	32.1 Å²	32.1	42%	0.419	19%	0.188	S	C	.	.	H	α-helix	trans	-71.5	-40.6	174.7	-66	169.2	0	0	0	111.8	D280 Y284 S286 E307	D280-L282 PolarHBondContact O-N 3.24Å; D280-L282 WeakPolarHBondContact OD1-CA 3.46Å; D280-L282 VanDerWaalsContact OD1-CB 3.24Å; D280-L282 WeakPolarHBondContact OD1-CB 3.45Å; D280-L282 PolarHBondContact OD1-N 3.09Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; L282-S286 WeakPolarHBondContact O-CB 3.24Å; L282-S286 PolarHBondContact O-N 2.77Å; L282-S286 PolarHBondContact O-OG 3.36Å; L282-E307 VanDerWaalsContact CD2-OE2 3.27Å; L282-E307 WeakPolarHBondContact CD2-OE2 3.38Å
283	E	78.1	Confident	77.3	Confident	21 Å²	21	34.3 Å²	34.3	10%	0.098	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-43.5	172.1	-68.7	-172.1	169.9	0	0	110.9	K251 D280 S286 L287 Q611	K251-E283 HydrophobicContact CB-CB 4.33Å; K251-E283 HydrophobicContact CB-CG 3.72Å; K251-E283 VanDerWaalsContact CD-CD 3.44Å; K251-E283 HydrophobicContact CD-CG 4.48Å; K251-E283 WeakPolarHBondContact CD-OE1 3.44Å; K251-E283 VanDerWaalsContact CD-OE2 3.27Å; K251-E283 WeakPolarHBondContact CD-OE2 3.46Å; K251-E283 WeakPolarHBondContact CE-OE2 3.24Å; K251-E283 HydrophobicContact CG-CB 4.24Å; K251-E283 HydrophobicContact CG-CG 3.93Å; K251-E283 WeakPolarHBondContact CG-OE2 3.06Å; K251-E283 IonicContact NZ-OE1 3.15Å; K251-E283 PolarHBondContact NZ-OE1 3.31Å; K251-E283 IonicContact NZ-OE2 3.3Å; K251-E283 PolarHBondContact NZ-OE2 2.91Å; D280-E283 HydrophobicContact CB-CB 3.94Å; D280-E283 HydrophobicContact CB-CG 3.7Å; D280-E283 WeakPolarHBondContact O-CB 3.47Å; D280-E283 PolarHBondContact O-N 2.93Å; D280-E283 VanDerWaalsContact O-N 3.13Å; E283-S286 WeakPolarHBondContact O-CB 3.47Å; E283-S286 PolarHBondContact O-N 2.9Å; E283-S286 VanDerWaalsContact O-N 3.16Å; E283-L287 VanDerWaalsContact O-CG 3.31Å; E283-L287 WeakPolarHBondContact O-CG 3.35Å; E283-L287 PolarHBondContact O-N 3.09Å; E283-Q611 PolarHBondContact OE1-NE2 3.45Å; E283-Q611 PolarHBondContact OE2-NE2 3.43Å
284	Y	78.9	Confident	77.4	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-60.6	-47.7	178.5	-162	-105.3	0	0	0	110.9	I277 D280 L281 L282 S286 L287 V288 L333 V337 I341 V607	I277-Y284 HydrophobicContact CB-CD2 4.41Å; I277-Y284 HydrophobicContact CG2-CD2 3.74Å; I277-Y284 HydrophobicContact CG2-CE2 4.46Å; D280-Y284 WeakPolarHBondContact O-CB 3.49Å; D280-Y284 PolarHBondContact O-N 2.88Å; L281-Y284 PolarHBondContact O-N 2.99Å; L282-Y284 VanDerWaalsContact C-N 3.34Å; Y284-S286 VanDerWaalsContact C-N 3.33Å; Y284-S286 PolarHBondContact O-N 3.36Å; Y284-L287 PolarHBondContact O-N 3.03Å; Y284-V288 HydrophobicContact CD1-CG2 4.21Å; Y284-V288 HydrophobicContact CE1-CG2 4.19Å; Y284-V288 WeakPolarHBondContact O-CB 3.17Å; Y284-V288 VanDerWaalsContact O-CG2 3.25Å; Y284-V288 WeakPolarHBondContact O-CG2 3.45Å; Y284-V288 PolarHBondContact O-N 3.16Å; Y284-L333 HydrophobicContact CE1-CG 4.49Å; Y284-V337 HydrophobicContact CE1-CB 3.81Å; Y284-V337 HydrophobicContact CE1-CG1 3.56Å; Y284-V337 HydrophobicContact CE1-CG2 3.75Å; Y284-V337 HydrophobicContact CE2-CG1 4.39Å; Y284-V337 WeakPolarHBondContact OH-CB 3.47Å; Y284-V337 WeakPolarHBondContact OH-CG1 3.36Å; Y284-I341 HydrophobicContact CE2-CD1 3.72Å; Y284-I341 WeakPolarHBondContact OH-CD1 3.3Å; Y284-V607 HydrophobicContact CE2-CG1 4.18Å
285	F	85.3	Confident	78	Confident	13 Å²	13	34.5 Å²	34.5	6%	0.057	19%	0.193	C	C	.	.	H	α-helix	trans	-56	-47.7	172	171.7	-98.6	0	0	0	111.3	L281 L287 V288 H289 L296 A299 F302	L281-F285 VanDerWaalsContact O-CB 3.31Å; L281-F285 WeakPolarHBondContact O-CB 3.29Å; L281-F285 PolarHBondContact O-N 3.49Å; F285-L287 PolarHBondContact O-N 3.37Å; F285-V288 PolarHBondContact O-N 2.91Å; F285-H289 HydrophobicContact CE1-CB 4.32Å; F285-H289 HydrophobicContact CE2-CB 4.41Å; F285-H289 HydrophobicContact CZ-CB 4.19Å; F285-H289 AromaticContact CZ-ND1 3.81Å; F285-H289 WeakPolarHBondContact O-CB 3.27Å; F285-H289 PolarHBondContact O-N 2.94Å; F285-L296 HydrophobicContact CD2-CB 4.28Å; F285-L296 HydrophobicContact CD2-CD1 4.5Å; F285-L296 HydrophobicContact CE2-CB 4.41Å; F285-A299 HydrophobicContact CD1-CB 4.42Å; F285-A299 HydrophobicContact CE1-CB 3.65Å; F285-A299 VanDerWaalsContact CZ-CA 3.48Å; F285-A299 HydrophobicContact CZ-CB 3.91Å; F285-F302 HydrophobicContact CB-CD1 3.74Å; F285-F302 HydrophobicContact CB-CD2 4.38Å; F285-F302 HydrophobicContact CB-CE1 3.67Å; F285-F302 HydrophobicContact CB-CE2 4.32Å; F285-F302 HydrophobicContact CB-CG 4.1Å; F285-F302 HydrophobicContact CB-CZ 3.97Å; F285-F302 HydrophobicContact CD2-CB 3.6Å; F285-F302 AromaticContact CD2-CD1 3.9Å; F285-F302 HydrophobicContact CD2-CD1 3.9Å; F285-F302 AromaticContact CD2-CD2 3.78Å; F285-F302 HydrophobicContact CD2-CD2 3.78Å; F285-F302 HydrophobicContact CD2-CE2 4.46Å; F285-F302 AromaticContact CD2-CG 3.45Å; F285-F302 HydrophobicContact CD2-CG 3.45Å; F285-F302 VanDerWaalsContact CD2-CG 3.45Å; F285-F302 HydrophobicContact CE2-CB 3.8Å; F285-F302 HydrophobicContact CE2-CG 4.18Å; F285-F302 HydrophobicContact CG-CB 4.37Å; F285-F302 AromaticContact CG-CD1 3.93Å; F285-F302 HydrophobicContact CG-CD1 3.93Å; F285-F302 HydrophobicContact CG-CD2 4.47Å; F285-F302 HydrophobicContact CG-CE1 4.37Å; F285-F302 AromaticContact CG-CG 3.98Å; F285-F302 HydrophobicContact CG-CG 3.98Å
286	S	85	Confident	78.7	Confident	4 Å²	4	34.4 Å²	34.4	3%	0.028	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-44.7	-179.2	-60.9	0	0	0	0	111.8	K251 Y258 L282 E283 Y284 F290	K251-S286 WeakPolarHBondContact O-CB 3.25Å; K251-S286 PolarHBondContact O-OG 3.15Å; Y258-S286 PolarHBondContact OH-O 3.36Å; L282-S286 WeakPolarHBondContact O-CB 3.24Å; L282-S286 PolarHBondContact O-N 2.77Å; L282-S286 PolarHBondContact O-OG 3.36Å; E283-S286 WeakPolarHBondContact O-CB 3.47Å; E283-S286 PolarHBondContact O-N 2.9Å; E283-S286 VanDerWaalsContact O-N 3.16Å; Y284-S286 VanDerWaalsContact C-N 3.33Å; Y284-S286 PolarHBondContact O-N 3.36Å; S286-F290 WeakPolarHBondContact O-CB 3.32Å; S286-F290 PolarHBondContact O-N 2.95Å
287	L	86.1	Confident	80.1	Confident	9 Å²	9	33.4 Å²	33.4	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-41.5	179.4	-63	172	0	0	0	112.2	G247 L250 L271 I277 E283 Y284 F285 F290 V291	G247-L287 WeakPolarHBondContact O-CD2 3.48Å; L250-L287 HydrophobicContact CB-CD2 4.2Å; L271-L287 HydrophobicContact CD1-CB 3.97Å; L271-L287 HydrophobicContact CD1-CD2 3.75Å; L271-L287 HydrophobicContact CD1-CG 4.45Å; L271-L287 WeakPolarHBondContact CD1-O 3.38Å; I277-L287 HydrophobicContact CB-CD1 4.3Å; I277-L287 HydrophobicContact CD1-CD1 3.7Å; I277-L287 HydrophobicContact CG1-CD1 3.74Å; I277-L287 HydrophobicContact CG2-CD1 3.61Å; E283-L287 VanDerWaalsContact O-CG 3.31Å; E283-L287 WeakPolarHBondContact O-CG 3.35Å; E283-L287 PolarHBondContact O-N 3.09Å; Y284-L287 PolarHBondContact O-N 3.03Å; F285-L287 PolarHBondContact O-N 3.37Å; L287-F290 PolarHBondContact O-N 2.6Å; L287-V291 PolarHBondContact O-N 2.94Å
288	V	86.5	Confident	81.5	Confident	5 Å²	5	35 Å²	35	3%	0.03	20%	0.201	C	C	.	.	H	α-helix	trans	-67.8	-45.5	178.1	174.4	0	0	0	0	110.8	Y284 F285 F290 V291 N292 L295 L296 V337	Y284-V288 HydrophobicContact CD1-CG2 4.21Å; Y284-V288 HydrophobicContact CE1-CG2 4.19Å; Y284-V288 WeakPolarHBondContact O-CB 3.17Å; Y284-V288 VanDerWaalsContact O-CG2 3.25Å; Y284-V288 WeakPolarHBondContact O-CG2 3.45Å; Y284-V288 PolarHBondContact O-N 3.16Å; F285-V288 PolarHBondContact O-N 2.91Å; V288-F290 VanDerWaalsContact C-N 3.26Å; V288-F290 PolarHBondContact O-N 3.45Å; V288-V291 PolarHBondContact O-N 2.79Å; V288-V291 VanDerWaalsContact O-N 3.12Å; V288-N292 PolarHBondContact O-N 3.31Å; V288-L295 HydrophobicContact CG1-CD2 3.84Å; V288-L296 HydrophobicContact CB-CD1 4.05Å; V288-L296 HydrophobicContact CG1-CD1 3.7Å; V288-L296 HydrophobicContact CG1-CG 4.09Å; V288-V337 HydrophobicContact CG1-CG2 4.32Å; V288-V337 HydrophobicContact CG2-CG1 3.53Å; V288-V337 HydrophobicContact CG2-CG2 4.11Å
289	H	88	Confident	82.7	Confident	43 Å²	43	36.1 Å²	36.1	20%	0.199	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-37.9	176.7	-175.4	90	0	0	0	111.4	F285 N292 M293	F285-H289 HydrophobicContact CE1-CB 4.32Å; F285-H289 HydrophobicContact CE2-CB 4.41Å; F285-H289 HydrophobicContact CZ-CB 4.19Å; F285-H289 AromaticContact CZ-ND1 3.81Å; F285-H289 WeakPolarHBondContact O-CB 3.27Å; F285-H289 PolarHBondContact O-N 2.94Å; H289-N292 CarbonylContact O-C 3.55Å; H289-M293 WeakPolarHBondContact O-CA 3.46Å; H289-M293 WeakPolarHBondContact O-CG 3.27Å; H289-M293 PolarHBondContact O-N 2.76Å
290	F	89.1	Confident	84.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-43.5	174.1	-177.3	-97.8	0	0	0	112.6	C244 L250 Y258 L261 V262 R269 L271 S286 L287 V288	C244-F290 HydrophobicContact CB-CE1 4.39Å; L250-F290 HydrophobicContact CD1-CE1 4.37Å; L250-F290 HydrophobicContact CD1-CZ 4.34Å; Y258-F290 HydrophobicContact CE2-CB 3.86Å; Y258-F290 HydrophobicContact CE2-CD2 4.09Å; Y258-F290 HydrophobicContact CE2-CG 4.32Å; Y258-F290 PolarHBondContact OH-N 3.26Å; L261-F290 HydrophobicContact CB-CE2 3.57Å; L261-F290 HydrophobicContact CB-CZ 3.97Å; V262-F290 HydrophobicContact CG2-CD2 3.79Å; V262-F290 HydrophobicContact CG2-CE2 4.2Å; R269-F290 HydrophobicContact CB-CE1 4.26Å; R269-F290 WeakPolarHBondContact CD-O 3.5Å; L271-F290 HydrophobicContact CD1-CB 4.41Å; L271-F290 HydrophobicContact CD1-CD1 3.83Å; L271-F290 HydrophobicContact CD1-CG 4.5Å; L271-F290 HydrophobicContact CD2-CD1 3.82Å; L271-F290 HydrophobicContact CD2-CE1 3.91Å; L271-F290 HydrophobicContact CG-CD1 3.78Å; L271-F290 HydrophobicContact CG-CE1 4.18Å; S286-F290 WeakPolarHBondContact O-CB 3.32Å; S286-F290 PolarHBondContact O-N 2.95Å; L287-F290 PolarHBondContact O-N 2.6Å; V288-F290 VanDerWaalsContact C-N 3.26Å; V288-F290 PolarHBondContact O-N 3.45Å
291	V	89.5	Confident	85.4	Confident	45 Å²	45	42.5 Å²	42.5	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-75.2	-42.2	-177.9	170.7	0	0	0	0	111.6	L271 L287 V288	L271-V291 HydrophobicContact CB-CG2 4.21Å; L271-V291 HydrophobicContact CD1-CG2 3.61Å; L271-V291 HydrophobicContact CG-CG2 3.78Å; L287-V291 PolarHBondContact O-N 2.94Å; V288-V291 PolarHBondContact O-N 2.79Å; V288-V291 VanDerWaalsContact O-N 3.12Å
292	N	88	Confident	86	Confident	75 Å²	75	42.1 Å²	42.1	40%	0.401	25%	0.252	S	S	.	.	S	Bend	trans	-139.7	91.6	-177.5	-168.8	-5.6	0	0	0	110.1	V288 H289 G294 L295	V288-N292 PolarHBondContact O-N 3.31Å; H289-N292 CarbonylContact O-C 3.55Å; N292-G294 PolarHBondContact O-N 3.41Å; N292-L295 HydrophobicContact CB-CB 4.17Å; N292-L295 HydrophobicContact CB-CD2 4.32Å; N292-L295 WeakPolarHBondContact O-CB 3.35Å; N292-L295 PolarHBondContact O-N 3.23Å
293	M	84.1	Confident	86.5	Confident	108 Å²	108	44.9 Å²	44.9	53%	0.532	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	130.4	-179.4	-72.8	-173.6	64	0	0	111.1	V262 H289 L295	V262-M293 HydrophobicContact CG1-SD 4.3Å; H289-M293 WeakPolarHBondContact O-CA 3.46Å; H289-M293 WeakPolarHBondContact O-CG 3.27Å; H289-M293 PolarHBondContact O-N 2.76Å; M293-L295 VanDerWaalsContact C-N 3.33Å; M293-L295 PolarHBondContact O-N 3.29Å
294	G	84.9	Confident	87.1	Confident	48 Å²	48	53.8 Å²	53.8	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	-7.3	176.7	0	0	0	0	0	115.5	N292 L296 G297	N292-G294 PolarHBondContact O-N 3.41Å; G294-L296 PolarHBondContact O-N 3.39Å; G294-L296 VanDerWaalsContact O-N 3.15Å; G294-G297 PolarHBondContact O-N 2.84Å; G294-G297 VanDerWaalsContact O-N 3.09Å
295	L	86.8	Confident	87.6	Confident	61 Å²	61	58.1 Å²	58.1	32%	0.319	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.8	178.9	-177.9	65.4	0	0	0	113.2	V288 N292 M293 I336	V288-L295 HydrophobicContact CG1-CD2 3.84Å; N292-L295 HydrophobicContact CB-CB 4.17Å; N292-L295 HydrophobicContact CB-CD2 4.32Å; N292-L295 WeakPolarHBondContact O-CB 3.35Å; N292-L295 PolarHBondContact O-N 3.23Å; M293-L295 VanDerWaalsContact C-N 3.33Å; M293-L295 PolarHBondContact O-N 3.29Å; L295-I336 HydrophobicContact CD1-CG2 3.88Å; L295-I336 HydrophobicContact CD2-CG2 3.99Å; L295-I336 HydrophobicContact CG-CG2 3.81Å
296	L	86.9	Confident	87.7	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.068	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	16	-179.1	-60.8	176.7	0	0	0	112.6	F285 V288 G294 F302 Y306 L333 I336 V337	F285-L296 HydrophobicContact CD2-CB 4.28Å; F285-L296 HydrophobicContact CD2-CD1 4.5Å; F285-L296 HydrophobicContact CE2-CB 4.41Å; V288-L296 HydrophobicContact CB-CD1 4.05Å; V288-L296 HydrophobicContact CG1-CD1 3.7Å; V288-L296 HydrophobicContact CG1-CG 4.09Å; G294-L296 PolarHBondContact O-N 3.39Å; G294-L296 VanDerWaalsContact O-N 3.15Å; L296-F302 HydrophobicContact CB-CD2 4Å; L296-F302 HydrophobicContact CD1-CD2 4Å; L296-F302 HydrophobicContact CD1-CE2 3.89Å; L296-Y306 HydrophobicContact CD2-CE2 4.25Å; L296-L333 HydrophobicContact CD1-CD1 3.93Å; L296-L333 HydrophobicContact CD2-CD1 3.62Å; L296-L333 HydrophobicContact CG-CD1 4.44Å; L296-I336 HydrophobicContact CD2-CG2 4.09Å; L296-V337 HydrophobicContact CD1-CG2 4.13Å; L296-V337 HydrophobicContact CD2-CG2 4.22Å
297	G	88.9	Confident	87.8	Confident	23 Å²	23	58.9 Å²	58.9	24%	0.237	31%	0.313	C	S	.	.			trans	72.8	-159.6	-173.9	0	0	0	0	0	114.2	G294 E301	G294-G297 PolarHBondContact O-N 2.84Å; G294-G297 VanDerWaalsContact O-N 3.09Å; G297-E301 WeakPolarHBondContact CA-OE2 3.19Å
298	T	88	Confident	87.9	Confident	73 Å²	73	62.3 Å²	62.3	45%	0.448	33%	0.33	S	S	.	.			trans	-75.9	161.5	174.1	63.3	0	0	0	0	111.4	S300 E301 F302	T298-S300 PolarHBondContact O-N 2.75Å; T298-E301 PolarHBondContact N-OE2 3.4Å; T298-E301 PolarHBondContact O-N 3.1Å; T298-E301 VanDerWaalsContact O-N 3.14Å; T298-E301 VanDerWaalsContact OG1-CD 3.23Å; T298-E301 VanDerWaalsContact OG1-CG 3.25Å; T298-E301 WeakPolarHBondContact OG1-CG 3.32Å; T298-E301 PolarHBondContact OG1-N 2.88Å; T298-E301 PolarHBondContact OG1-OE2 3.01Å; T298-F302 WeakPolarHBondContact O-CB 3.34Å; T298-F302 PolarHBondContact O-N 2.82Å
299	A	85	Confident	87.9	Confident	55 Å²	55	63.2 Å²	63.2	46%	0.455	34%	0.336	S	S	.	.	H	α-helix	trans	-56.3	-38	177.7	0	0	0	0	0	112.5	F285 R303	F285-A299 HydrophobicContact CD1-CB 4.42Å; F285-A299 HydrophobicContact CE1-CB 3.65Å; F285-A299 VanDerWaalsContact CZ-CA 3.48Å; F285-A299 HydrophobicContact CZ-CB 3.91Å; A299-R303 VanDerWaalsContact O-CB 3.25Å; A299-R303 WeakPolarHBondContact O-CB 3.36Å; A299-R303 PolarHBondContact O-N 3.4Å
300	S	88	Confident	87.7	Confident	93 Å²	93	61.2 Å²	61.2	65%	0.65	33%	0.327	S	S	*	.	H	α-helix	trans	-68.9	-39.7	177.9	-56.2	0	0	0	0	112.9	T298 R303 R304	T298-S300 PolarHBondContact O-N 2.75Å; S300-R303 PolarHBondContact O-N 3.37Å; S300-R304 WeakPolarHBondContact O-CB 3.16Å; S300-R304 PolarHBondContact O-N 3.44Å
301	E	90.9	Very high	87.3	Confident	109 Å²	109	64.9 Å²	64.9	51%	0.509	35%	0.346	S	S	.	.	H	α-helix	trans	-67.1	-46.4	175.6	-72.9	163.5	160.7	0	0	110.9	G297 T298 R303 R304 H305	G297-E301 WeakPolarHBondContact CA-OE2 3.19Å; T298-E301 PolarHBondContact N-OE2 3.4Å; T298-E301 PolarHBondContact O-N 3.1Å; T298-E301 VanDerWaalsContact O-N 3.14Å; T298-E301 VanDerWaalsContact OG1-CD 3.23Å; T298-E301 VanDerWaalsContact OG1-CG 3.25Å; T298-E301 WeakPolarHBondContact OG1-CG 3.32Å; T298-E301 PolarHBondContact OG1-N 2.88Å; T298-E301 PolarHBondContact OG1-OE2 3.01Å; E301-R303 VanDerWaalsContact C-N 3.29Å; E301-R303 PolarHBondContact O-N 2.84Å; E301-R304 PolarHBondContact O-N 3.14Å; E301-H305 VanDerWaalsContact O-CB 3.28Å; E301-H305 WeakPolarHBondContact O-CB 3.42Å; E301-H305 PolarHBondContact O-N 3.43Å
302	F	90.4	Very high	86.9	Confident	1 Å²	1	69.9 Å²	69.9	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-56.7	-46	174.4	176.9	-94.3	0	0	0	111.2	L281 F285 L296 T298 R304 H305 Y306 E307 L333	L281-F302 HydrophobicContact CB-CE1 4.01Å; L281-F302 HydrophobicContact CB-CZ 4.11Å; L281-F302 VanDerWaalsContact O-CE1 3.28Å; L281-F302 WeakPolarHBondContact O-CE1 3.43Å; L281-F302 WeakPolarHBondContact O-CZ 3.36Å; F285-F302 HydrophobicContact CB-CD1 3.74Å; F285-F302 HydrophobicContact CB-CD2 4.38Å; F285-F302 HydrophobicContact CB-CE1 3.67Å; F285-F302 HydrophobicContact CB-CE2 4.32Å; F285-F302 HydrophobicContact CB-CG 4.1Å; F285-F302 HydrophobicContact CB-CZ 3.97Å; F285-F302 HydrophobicContact CD2-CB 3.6Å; F285-F302 AromaticContact CD2-CD1 3.9Å; F285-F302 HydrophobicContact CD2-CD1 3.9Å; F285-F302 AromaticContact CD2-CD2 3.78Å; F285-F302 HydrophobicContact CD2-CD2 3.78Å; F285-F302 HydrophobicContact CD2-CE2 4.46Å; F285-F302 AromaticContact CD2-CG 3.45Å; F285-F302 HydrophobicContact CD2-CG 3.45Å; F285-F302 VanDerWaalsContact CD2-CG 3.45Å; F285-F302 HydrophobicContact CE2-CB 3.8Å; F285-F302 HydrophobicContact CE2-CG 4.18Å; F285-F302 HydrophobicContact CG-CB 4.37Å; F285-F302 AromaticContact CG-CD1 3.93Å; F285-F302 HydrophobicContact CG-CD1 3.93Å; F285-F302 HydrophobicContact CG-CD2 4.47Å; F285-F302 HydrophobicContact CG-CE1 4.37Å; F285-F302 AromaticContact CG-CG 3.98Å; F285-F302 HydrophobicContact CG-CG 3.98Å; L296-F302 HydrophobicContact CB-CD2 4Å; L296-F302 HydrophobicContact CD1-CD2 4Å; L296-F302 HydrophobicContact CD1-CE2 3.89Å; T298-F302 WeakPolarHBondContact O-CB 3.34Å; T298-F302 PolarHBondContact O-N 2.82Å; F302-R304 VanDerWaalsContact C-N 3.34Å; F302-R304 PolarHBondContact O-N 2.93Å; F302-H305 PolarHBondContact O-N 3.04Å; F302-Y306 AromaticContact CD2-CD2 3.46Å; F302-Y306 HydrophobicContact CD2-CD2 3.46Å; F302-Y306 VanDerWaalsContact CD2-CD2 3.46Å; F302-Y306 HydrophobicContact CD2-CE2 4.32Å; F302-Y306 HydrophobicContact CD2-CG 4.08Å; F302-Y306 AromaticContact CE2-CD2 3.81Å; F302-Y306 HydrophobicContact CE2-CD2 3.81Å; F302-Y306 HydrophobicContact CE2-CG 4Å; F302-Y306 HydrophobicContact CG-CD2 4.31Å; F302-Y306 WeakPolarHBondContact O-CA 3.32Å; F302-Y306 WeakPolarHBondContact O-CB 3.42Å; F302-Y306 PolarHBondContact O-N 3.43Å; F302-E307 HydrophobicContact CD1-CB 4.49Å; F302-E307 HydrophobicContact CE1-CB 4.24Å; F302-E307 PolarHBondContact O-N 3.03Å; F302-E307 VanDerWaalsContact O-N 3.12Å; F302-L333 HydrophobicContact CE2-CD1 3.91Å; F302-L333 HydrophobicContact CE2-CD2 4.16Å; F302-L333 HydrophobicContact CZ-CD2 4.33Å
303	R	87.9	Confident	86.3	Confident	139 Å²	139	66.8 Å²	66.8	53%	0.525	35%	0.346	S	S	.	.	I	π-helix	trans	-60.6	-44	179.1	-176.7	163.2	-165.2	-152.6	0.5	112.4	A299 S300 E301 E307 I308	A299-R303 VanDerWaalsContact O-CB 3.25Å; A299-R303 WeakPolarHBondContact O-CB 3.36Å; A299-R303 PolarHBondContact O-N 3.4Å; S300-R303 PolarHBondContact O-N 3.37Å; E301-R303 VanDerWaalsContact C-N 3.29Å; E301-R303 PolarHBondContact O-N 2.84Å; R303-E307 HydrophobicContact CB-CB 4.41Å; R303-E307 WeakPolarHBondContact CB-OE2 3.39Å; R303-E307 HydrophobicContact CG-CB 4.26Å; R303-E307 VanDerWaalsContact CG-OE2 3.24Å; R303-E307 WeakPolarHBondContact CG-OE2 3.25Å; R303-E307 IonicContact NE-OE1 3.62Å; R303-E307 IonicContact NE-OE2 2.78Å; R303-E307 PolarHBondContact O-N 3.15Å; R303-I308 HydrophobicContact CG-CD1 4.05Å; R303-I308 HydrophobicContact CG-CG1 4.13Å; R303-I308 WeakPolarHBondContact O-CB 3.49Å; R303-I308 WeakPolarHBondContact O-CG1 3.49Å; R303-I308 PolarHBondContact O-N 3.15Å
304	R	90.7	Very high	85.8	Confident	207 Å²	207	65.8 Å²	65.8	78%	0.781	34%	0.336	S	S	*	.	I	π-helix	trans	-69.9	-40.7	179.8	-177.2	-179.3	174.6	-168.7	-1.6	112.7	S300 E301 F302 P309	S300-R304 WeakPolarHBondContact O-CB 3.16Å; S300-R304 PolarHBondContact O-N 3.44Å; E301-R304 PolarHBondContact O-N 3.14Å; F302-R304 VanDerWaalsContact C-N 3.34Å; F302-R304 PolarHBondContact O-N 2.93Å; R304-P309 WeakPolarHBondContact O-CD 3.43Å
305	H	88.7	Confident	85	Confident	96 Å²	96	67.8 Å²	67.8	44%	0.444	34%	0.335	S	S	.	.	I	π-helix	trans	-91.3	-37.4	-169.7	-165.1	72.3	0	0	0	113.3	E301 F302 I329 E332	E301-H305 VanDerWaalsContact O-CB 3.28Å; E301-H305 WeakPolarHBondContact O-CB 3.42Å; E301-H305 PolarHBondContact O-N 3.43Å; F302-H305 PolarHBondContact O-N 3.04Å; H305-I329 WeakPolarHBondContact O-CG2 3.47Å; H305-E332 IonicContact NE2-OE1 3.12Å
306	Y	89.1	Confident	84	Confident	18 Å²	18	69.5 Å²	69.5	7%	0.071	36%	0.359	C	S	.	.	I	π-helix	trans	-110.2	-57.5	-177.5	-61.5	-71	0	0	0	112	L296 F302 P309 I310 I329 E332 L333 I336	L296-Y306 HydrophobicContact CD2-CE2 4.25Å; F302-Y306 AromaticContact CD2-CD2 3.46Å; F302-Y306 HydrophobicContact CD2-CD2 3.46Å; F302-Y306 VanDerWaalsContact CD2-CD2 3.46Å; F302-Y306 HydrophobicContact CD2-CE2 4.32Å; F302-Y306 HydrophobicContact CD2-CG 4.08Å; F302-Y306 AromaticContact CE2-CD2 3.81Å; F302-Y306 HydrophobicContact CE2-CD2 3.81Å; F302-Y306 HydrophobicContact CE2-CG 4Å; F302-Y306 HydrophobicContact CG-CD2 4.31Å; F302-Y306 WeakPolarHBondContact O-CA 3.32Å; F302-Y306 WeakPolarHBondContact O-CB 3.42Å; F302-Y306 PolarHBondContact O-N 3.43Å; Y306-P309 WeakPolarHBondContact O-CD 3.36Å; Y306-I310 VanDerWaalsContact O-CB 3.29Å; Y306-I310 WeakPolarHBondContact O-CB 3.22Å; Y306-I310 VanDerWaalsContact O-CD1 3.29Å; Y306-I310 WeakPolarHBondContact O-CD1 3.35Å; Y306-I310 WeakPolarHBondContact O-CG1 3.45Å; Y306-I310 PolarHBondContact O-N 3.4Å; Y306-I329 HydrophobicContact CD1-CG2 3.58Å; Y306-I329 HydrophobicContact CE1-CG2 4.28Å; Y306-I329 HydrophobicContact CG-CG2 4.42Å; Y306-E332 PolarHBondContact OH-OE1 2.87Å; Y306-L333 HydrophobicContact CD1-CB 3.75Å; Y306-L333 HydrophobicContact CD1-CD1 4.14Å; Y306-L333 HydrophobicContact CD1-CD2 4.43Å; Y306-L333 HydrophobicContact CD1-CG 4.31Å; Y306-L333 HydrophobicContact CD2-CD1 4.4Å; Y306-L333 HydrophobicContact CE1-CB 3.92Å; Y306-L333 HydrophobicContact CE1-CD1 4.29Å; Y306-L333 HydrophobicContact CE2-CD1 4.5Å; Y306-L333 HydrophobicContact CG-CD1 4.22Å; Y306-L333 HydrophobicContact CG-CD2 4.5Å; Y306-I336 WeakPolarHBondContact OH-CD1 3.24Å
307	E	85.7	Confident	83.3	Confident	16 Å²	16	76.1 Å²	76.1	8%	0.075	39%	0.394	C	S	.	.	I	π-helix	trans	-61	-58.2	-168.9	-166.8	-168.3	140.8	0	0	113.5	L281 L282 F302 R303 I310 L311	L281-E307 HydrophobicContact CB-CG 4.15Å; L281-E307 HydrophobicContact CD1-CB 4.35Å; L281-E307 HydrophobicContact CD1-CG 4.19Å; L282-E307 VanDerWaalsContact CD2-OE2 3.27Å; L282-E307 WeakPolarHBondContact CD2-OE2 3.38Å; F302-E307 HydrophobicContact CD1-CB 4.49Å; F302-E307 HydrophobicContact CE1-CB 4.24Å; F302-E307 PolarHBondContact O-N 3.03Å; F302-E307 VanDerWaalsContact O-N 3.12Å; R303-E307 HydrophobicContact CB-CB 4.41Å; R303-E307 WeakPolarHBondContact CB-OE2 3.39Å; R303-E307 HydrophobicContact CG-CB 4.26Å; R303-E307 VanDerWaalsContact CG-OE2 3.24Å; R303-E307 WeakPolarHBondContact CG-OE2 3.25Å; R303-E307 IonicContact NE-OE1 3.62Å; R303-E307 IonicContact NE-OE2 2.78Å; R303-E307 PolarHBondContact O-N 3.15Å; E307-I310 PolarHBondContact O-N 2.82Å; E307-L311 HydrophobicContact CG-CD1 3.88Å; E307-L311 HydrophobicContact CG-CG 4.48Å; E307-L311 WeakPolarHBondContact O-CB 2.98Å; E307-L311 VanDerWaalsContact O-CG 3.27Å; E307-L311 WeakPolarHBondContact O-CG 3.31Å; E307-L311 PolarHBondContact O-N 3.05Å
308	I	87.9	Confident	82.6	Confident	81 Å²	81	75.7 Å²	75.7	42%	0.415	39%	0.388	S	S	.	.	H	α-helix	trans	-61.6	-47.6	-176	-68.7	167.1	0	0	0	111.7	R303 L311 R312	R303-I308 HydrophobicContact CG-CD1 4.05Å; R303-I308 HydrophobicContact CG-CG1 4.13Å; R303-I308 WeakPolarHBondContact O-CB 3.49Å; R303-I308 WeakPolarHBondContact O-CG1 3.49Å; R303-I308 PolarHBondContact O-N 3.15Å; I308-L311 PolarHBondContact O-N 3.02Å; I308-R312 VanDerWaalsContact O-CB 3.28Å; I308-R312 WeakPolarHBondContact O-CB 3.5Å; I308-R312 PolarHBondContact O-N 3.23Å
309	P	86.6	Confident	82.4	Confident	23 Å²	23	75.7 Å²	75.7	15%	0.149	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-40.7	177.8	-25.9	37.1	0	0	0	113.9	R304 Y306 R312 G313 I329	R304-P309 WeakPolarHBondContact O-CD 3.43Å; Y306-P309 WeakPolarHBondContact O-CD 3.36Å; P309-R312 PolarHBondContact O-N 3.09Å; P309-G313 PolarHBondContact O-N 3.26Å; P309-I329 HydrophobicContact CB-CD1 3.41Å; P309-I329 VanDerWaalsContact CB-CD1 3.41Å; P309-I329 HydrophobicContact CG-CD1 3.96Å
310	I	84.4	Confident	82.4	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.005	40%	0.401	C	S	.	.	H	α-helix	trans	-66	-44.8	178.3	-67.5	167.3	0	0	0	110.2	L281 Y306 E307 G313 R314 I329 L330 L333	L281-I310 HydrophobicContact CD1-CB 3.91Å; L281-I310 HydrophobicContact CD1-CD1 4.1Å; L281-I310 HydrophobicContact CD1-CG2 3.85Å; L281-I310 HydrophobicContact CD2-CD1 4.31Å; Y306-I310 VanDerWaalsContact O-CB 3.29Å; Y306-I310 WeakPolarHBondContact O-CB 3.22Å; Y306-I310 VanDerWaalsContact O-CD1 3.29Å; Y306-I310 WeakPolarHBondContact O-CD1 3.35Å; Y306-I310 WeakPolarHBondContact O-CG1 3.45Å; Y306-I310 PolarHBondContact O-N 3.4Å; E307-I310 PolarHBondContact O-N 2.82Å; I310-G313 PolarHBondContact O-N 2.92Å; I310-R314 WeakPolarHBondContact O-CG 3.31Å; I310-R314 PolarHBondContact O-N 3.14Å; I310-I329 HydrophobicContact CD1-CG2 4.12Å; I310-I329 HydrophobicContact CG1-CB 4.43Å; I310-I329 HydrophobicContact CG1-CG2 3.96Å; I310-L330 HydrophobicContact CD1-CB 4.23Å; I310-L330 HydrophobicContact CD1-CD1 4.2Å; I310-L330 HydrophobicContact CG1-CB 4.25Å; I310-L333 HydrophobicContact CD1-CD2 4.13Å
311	L	81.7	Confident	82.3	Confident	78 Å²	78	82.8 Å²	82.8	41%	0.408	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-42.6	178	-70.3	178.9	0	0	0	111.5	L281 E307 I308 R314 D315	L281-L311 HydrophobicContact CD1-CG 4.46Å; E307-L311 HydrophobicContact CG-CD1 3.88Å; E307-L311 HydrophobicContact CG-CG 4.48Å; E307-L311 WeakPolarHBondContact O-CB 2.98Å; E307-L311 VanDerWaalsContact O-CG 3.27Å; E307-L311 WeakPolarHBondContact O-CG 3.31Å; E307-L311 PolarHBondContact O-N 3.05Å; I308-L311 PolarHBondContact O-N 3.02Å; L311-R314 PolarHBondContact O-N 2.89Å; L311-R314 VanDerWaalsContact O-N 3.14Å; L311-D315 PolarHBondContact O-N 3.01Å; L311-D315 VanDerWaalsContact O-N 3.16Å
312	R	79.6	Confident	82.1	Confident	149 Å²	149	79.7 Å²	79.7	56%	0.562	39%	0.393	S	S	*	.	H	α-helix	trans	-61.8	-43.6	175.8	-178	-178.4	-72.1	-177.3	-4.9	111.9	I308 P309 R314 D315 A318 D322	I308-R312 VanDerWaalsContact O-CB 3.28Å; I308-R312 WeakPolarHBondContact O-CB 3.5Å; I308-R312 PolarHBondContact O-N 3.23Å; P309-R312 PolarHBondContact O-N 3.09Å; R312-R314 PolarHBondContact O-N 3.09Å; R312-D315 WeakPolarHBondContact O-CB 3.49Å; R312-D315 PolarHBondContact O-N 3.03Å; R312-A318 WeakPolarHBondContact O-CB 2.79Å; R312-D322 WeakPolarHBondContact CD-OD1 3.22Å; R312-D322 HydrophobicContact CG-CB 4.38Å
313	G	77	Confident	81.5	Confident	10 Å²	10	84 Å²	84	10%	0.103	41%	0.413	C	S	.	.	H	α-helix	trans	-67.3	-12.7	177.4	0	0	0	0	0	114.1	P309 I310 D322 Q323	P309-G313 PolarHBondContact O-N 3.26Å; I310-G313 PolarHBondContact O-N 2.92Å; G313-D322 VanDerWaalsContact CA-O 3.3Å; G313-D322 WeakPolarHBondContact CA-O 3.15Å; G313-Q323 WeakPolarHBondContact O-CA 3.15Å; G313-Q323 WeakPolarHBondContact O-CG 3.46Å
314	R	72.4	Confident	81.4	Confident	87 Å²	87	84 Å²	84	33%	0.328	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-4.9	176.1	-71.6	180	175.9	-164.2	-3.7	113.7	I310 L311 R312 L330 V608	I310-R314 WeakPolarHBondContact O-CG 3.31Å; I310-R314 PolarHBondContact O-N 3.14Å; L311-R314 PolarHBondContact O-N 2.89Å; L311-R314 VanDerWaalsContact O-N 3.14Å; R312-R314 PolarHBondContact O-N 3.09Å; R314-L330 VanDerWaalsContact NH2-CD2 3.3Å; R314-V608 VanDerWaalsContact CZ-O 3.27Å; R314-V608 PolarHBondContact NH1-O 2.72Å; R314-V608 PolarHBondContact NH2-O 2.8Å
315	D	68.2	Low	81.3	Confident	90 Å²	90	79.9 Å²	79.9	48%	0.481	41%	0.405	S	S	.	.	S	Bend	trans	-62.1	143.5	175.9	-159.4	-53.5	0	0	0	109.7	L311 R312 D317 A318	L311-D315 PolarHBondContact O-N 3.01Å; L311-D315 VanDerWaalsContact O-N 3.16Å; R312-D315 WeakPolarHBondContact O-CB 3.49Å; R312-D315 PolarHBondContact O-N 3.03Å; D315-D317 PolarHBondContact O-N 3.49Å; D315-D317 PolarHBondContact OD1-N 3.31Å; D315-D317 VanDerWaalsContact OD1-N 3.1Å; D315-A318 HydrophobicContact CB-CB 4.28Å; D315-A318 WeakPolarHBondContact O-CB 3.34Å; D315-A318 PolarHBondContact O-N 3.15Å
316	A	65.6	Low	81.1	Confident	98 Å²	98	75.6 Å²	75.6	81%	0.81	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-29.8	179.2	0	0	0	0	0	111.6	A318	A316-A318 VanDerWaalsContact C-N 3.31Å
317	D	72.3	Confident	80.7	Confident	151 Å²	151	79 Å²	79	81%	0.807	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	8.8	178.2	-64	-33.4	0	0	0	112.8	D315	D315-D317 PolarHBondContact O-N 3.49Å; D315-D317 PolarHBondContact OD1-N 3.31Å; D315-D317 VanDerWaalsContact OD1-N 3.1Å
318	A	73.7	Confident	80.9	Confident	14 Å²	14	83.8 Å²	83.8	12%	0.116	43%	0.425	C	S	.	.			trans	-66.3	134.1	-178.1	0	0	0	0	0	112.2	R312 D315 A316 D322 Q323	R312-A318 WeakPolarHBondContact O-CB 2.79Å; D315-A318 HydrophobicContact CB-CB 4.28Å; D315-A318 WeakPolarHBondContact O-CB 3.34Å; D315-A318 PolarHBondContact O-N 3.15Å; A316-A318 VanDerWaalsContact C-N 3.31Å; A318-D322 HydrophobicContact CB-CB 4.2Å; A318-Q323 HydrophobicContact CB-CG 3.96Å; A318-Q323 PolarHBondContact O-NE2 3.18Å
319	T	84	Confident	80.9	Confident	74 Å²	74	80.9 Å²	80.9	45%	0.454	41%	0.41	S	S	.	.			trans	-67	157.5	171.5	67.9	0	0	0	0	110.8	E321 D322 Q323	T319-E321 PolarHBondContact O-N 3.4Å; T319-E321 VanDerWaalsContact O-N 3.11Å; T319-D322 PolarHBondContact N-OD2 3.33Å; T319-D322 PolarHBondContact O-N 3.07Å; T319-D322 VanDerWaalsContact OG1-CG 3.3Å; T319-D322 PolarHBondContact OG1-N 3Å; T319-D322 PolarHBondContact OG1-OD2 2.67Å; T319-Q323 WeakPolarHBondContact O-CG 3.37Å; T319-Q323 PolarHBondContact O-N 2.87Å
320	N	84.8	Confident	80.8	Confident	134 Å²	134	80.2 Å²	80.2	72%	0.717	41%	0.405	S	S	*	.	H	α-helix	trans	-55.3	-30.5	174.4	-70.2	-24.8	0	0	0	112.5	K324	N320-K324 WeakPolarHBondContact O-CB 3.49Å; N320-K324 PolarHBondContact O-N 3.38Å; N320-K324 VanDerWaalsContact O-N 3.13Å
321	E	87.2	Confident	80.9	Confident	163 Å²	163	85.3 Å²	85.3	76%	0.762	43%	0.429	S	S	*	.	H	α-helix	trans	-71.3	-43.4	175.9	-65.9	-177.4	-178.7	0	0	112	T319 K324 K325	T319-E321 PolarHBondContact O-N 3.4Å; T319-E321 VanDerWaalsContact O-N 3.11Å; E321-K324 PolarHBondContact O-N 2.96Å; E321-K325 WeakPolarHBondContact O-CB 3.25Å; E321-K325 PolarHBondContact O-N 3.39Å
322	D	85.1	Confident	81.2	Confident	44 Å²	44	85.7 Å²	85.7	24%	0.235	43%	0.429	C	S	.	.	H	α-helix	trans	-62.4	-43.1	175.1	-69.5	-56.7	0	0	0	111.4	R312 G313 A318 T319 K325 G326	R312-D322 WeakPolarHBondContact CD-OD1 3.22Å; R312-D322 HydrophobicContact CG-CB 4.38Å; G313-D322 VanDerWaalsContact CA-O 3.3Å; G313-D322 WeakPolarHBondContact CA-O 3.15Å; A318-D322 HydrophobicContact CB-CB 4.2Å; T319-D322 PolarHBondContact N-OD2 3.33Å; T319-D322 PolarHBondContact O-N 3.07Å; T319-D322 VanDerWaalsContact OG1-CG 3.3Å; T319-D322 PolarHBondContact OG1-N 3Å; T319-D322 PolarHBondContact OG1-OD2 2.67Å; D322-K325 PolarHBondContact O-N 3.12Å; D322-G326 PolarHBondContact O-N 3.47Å
323	Q	78.1	Confident	81.5	Confident	92 Å²	92	78.6 Å²	78.6	43%	0.43	40%	0.402	S	S	.	.	H	α-helix	trans	-59.3	-49.1	176.7	-68.9	178.8	11.8	0	0	111.4	G313 A318 T319 K325 G326 E327	G313-Q323 WeakPolarHBondContact O-CA 3.15Å; G313-Q323 WeakPolarHBondContact O-CG 3.46Å; A318-Q323 HydrophobicContact CB-CG 3.96Å; A318-Q323 PolarHBondContact O-NE2 3.18Å; T319-Q323 WeakPolarHBondContact O-CG 3.37Å; T319-Q323 PolarHBondContact O-N 2.87Å; Q323-K325 PolarHBondContact O-N 3.3Å; Q323-G326 PolarHBondContact O-N 2.78Å; Q323-E327 PolarHBondContact O-N 2.9Å
324	K	87.5	Confident	81.7	Confident	138 Å²	138	79.6 Å²	79.6	60%	0.6	41%	0.405	S	S	*	.	H	α-helix	trans	-60.8	-46.1	178.7	-176.4	179.4	174.4	-174.9	0	111.6	N320 E321 E327 E328	N320-K324 WeakPolarHBondContact O-CB 3.49Å; N320-K324 PolarHBondContact O-N 3.38Å; N320-K324 VanDerWaalsContact O-N 3.13Å; E321-K324 PolarHBondContact O-N 2.96Å; K324-E327 PolarHBondContact O-N 2.8Å; K324-E328 WeakPolarHBondContact CE-OE1 3.3Å; K324-E328 WeakPolarHBondContact O-CG 3.31Å; K324-E328 PolarHBondContact O-N 2.79Å
325	K	88.5	Confident	82.3	Confident	121 Å²	121	77.4 Å²	77.4	53%	0.526	41%	0.409	S	S	.	.	H	α-helix	trans	-63.9	-41.4	178.2	-176.8	177	-179.7	177.3	0	112.1	E321 D322 Q323 E327 E328 I329	E321-K325 WeakPolarHBondContact O-CB 3.25Å; E321-K325 PolarHBondContact O-N 3.39Å; D322-K325 PolarHBondContact O-N 3.12Å; Q323-K325 PolarHBondContact O-N 3.3Å; K325-E327 VanDerWaalsContact C-N 3.34Å; K325-E328 PolarHBondContact O-N 3.13Å; K325-I329 HydrophobicContact CG-CD1 3.93Å; K325-I329 WeakPolarHBondContact O-CG1 3.31Å; K325-I329 PolarHBondContact O-N 3.23Å; K325-I329 VanDerWaalsContact O-N 3.11Å
326	G	83	Confident	83.1	Confident	5 Å²	5	75.2 Å²	75.2	5%	0.052	40%	0.397	C	S	.	.	H	α-helix	trans	-60.7	-43	176	0	0	0	0	0	112.1	D322 Q323 L330	D322-G326 PolarHBondContact O-N 3.47Å; Q323-G326 PolarHBondContact O-N 2.78Å; G326-L330 WeakPolarHBondContact O-CB 3.3Å; G326-L330 PolarHBondContact O-N 3.28Å
327	E	82	Confident	83.8	Confident	91 Å²	91	70.5 Å²	70.5	43%	0.425	36%	0.358	S	S	.	.	H	α-helix	trans	-66.8	-44.1	176.8	-174.3	59	-148.8	0	0	112.3	Q323 K324 K325 I329 L330 Q331	Q323-E327 PolarHBondContact O-N 2.9Å; K324-E327 PolarHBondContact O-N 2.8Å; K325-E327 VanDerWaalsContact C-N 3.34Å; E327-I329 VanDerWaalsContact C-N 3.35Å; E327-I329 PolarHBondContact O-N 3.01Å; E327-L330 WeakPolarHBondContact O-CB 3.31Å; E327-L330 PolarHBondContact O-N 3.47Å; E327-Q331 WeakPolarHBondContact O-CG 3.3Å; E327-Q331 PolarHBondContact O-N 2.82Å; E327-Q331 PolarHBondContact OE1-NE2 3Å
328	E	89.3	Confident	84.2	Confident	115 Å²	115	67.9 Å²	67.9	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-58.4	-45.9	177.2	-74.9	173.1	178.7	0	0	111.8	K324 K325 L330 Q331 E332	K324-E328 WeakPolarHBondContact CE-OE1 3.3Å; K324-E328 WeakPolarHBondContact O-CG 3.31Å; K324-E328 PolarHBondContact O-N 2.79Å; K325-E328 PolarHBondContact O-N 3.13Å; E328-L330 VanDerWaalsContact C-N 3.35Å; E328-Q331 PolarHBondContact O-N 3.11Å; E328-E332 PolarHBondContact O-N 2.8Å
329	I	88.5	Confident	84.7	Confident	20 Å²	20	77.6 Å²	77.6	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-67	-36.9	177.8	-69.5	170.3	0	0	0	111.3	H305 Y306 P309 I310 K325 E327 E332 L333	H305-I329 WeakPolarHBondContact O-CG2 3.47Å; Y306-I329 HydrophobicContact CD1-CG2 3.58Å; Y306-I329 HydrophobicContact CE1-CG2 4.28Å; Y306-I329 HydrophobicContact CG-CG2 4.42Å; P309-I329 HydrophobicContact CB-CD1 3.41Å; P309-I329 VanDerWaalsContact CB-CD1 3.41Å; P309-I329 HydrophobicContact CG-CD1 3.96Å; I310-I329 HydrophobicContact CD1-CG2 4.12Å; I310-I329 HydrophobicContact CG1-CB 4.43Å; I310-I329 HydrophobicContact CG1-CG2 3.96Å; K325-I329 HydrophobicContact CG-CD1 3.93Å; K325-I329 WeakPolarHBondContact O-CG1 3.31Å; K325-I329 PolarHBondContact O-N 3.23Å; K325-I329 VanDerWaalsContact O-N 3.11Å; E327-I329 VanDerWaalsContact C-N 3.35Å; E327-I329 PolarHBondContact O-N 3.01Å; I329-E332 PolarHBondContact O-N 3.23Å; I329-L333 WeakPolarHBondContact O-CB 3.24Å; I329-L333 PolarHBondContact O-N 2.93Å
330	L	84.7	Confident	84.6	Confident	9 Å²	9	76.1 Å²	76.1	5%	0.047	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-44.7	174.5	177.9	62	0	0	0	111.2	I310 R314 G326 E327 E328 E332 L333 L334 V608	I310-L330 HydrophobicContact CD1-CB 4.23Å; I310-L330 HydrophobicContact CD1-CD1 4.2Å; I310-L330 HydrophobicContact CG1-CB 4.25Å; R314-L330 VanDerWaalsContact NH2-CD2 3.3Å; G326-L330 WeakPolarHBondContact O-CB 3.3Å; G326-L330 PolarHBondContact O-N 3.28Å; E327-L330 WeakPolarHBondContact O-CB 3.31Å; E327-L330 PolarHBondContact O-N 3.47Å; E328-L330 VanDerWaalsContact C-N 3.35Å; L330-E332 VanDerWaalsContact C-N 3.33Å; L330-E332 PolarHBondContact O-N 2.82Å; L330-L333 PolarHBondContact O-N 3.44Å; L330-L334 HydrophobicContact CD1-CD1 4.33Å; L330-L334 HydrophobicContact CD1-CG 4.27Å; L330-L334 HydrophobicContact CG-CD1 4.13Å; L330-L334 HydrophobicContact CG-CG 4.47Å; L330-L334 WeakPolarHBondContact O-CB 3.43Å; L330-L334 VanDerWaalsContact O-CG 3.26Å; L330-L334 WeakPolarHBondContact O-CG 3.3Å; L330-L334 PolarHBondContact O-N 2.97Å; L330-V608 HydrophobicContact CD1-CB 4.1Å; L330-V608 HydrophobicContact CD1-CG1 4.15Å; L330-V608 HydrophobicContact CD1-CG2 4.02Å
331	Q	84.7	Confident	84.4	Confident	108 Å²	108	72.1 Å²	72.1	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-38.4	176.9	-68.1	-60	-27.5	0	0	112	E327 E328 L334 G335	E327-Q331 WeakPolarHBondContact O-CG 3.3Å; E327-Q331 PolarHBondContact O-N 2.82Å; E327-Q331 PolarHBondContact OE1-NE2 3Å; E328-Q331 PolarHBondContact O-N 3.11Å; Q331-L334 PolarHBondContact O-N 3.47Å; Q331-G335 PolarHBondContact O-N 2.91Å
332	E	88.5	Confident	84.2	Confident	87 Å²	87	71 Å²	71	41%	0.407	35%	0.349	S	S	.	.	H	α-helix	trans	-59.5	-51.2	172.4	-170.2	-161.8	128.9	0	0	111.4	H305 Y306 E328 I329 L330 L334 G335 I336	H305-E332 IonicContact NE2-OE1 3.12Å; Y306-E332 PolarHBondContact OH-OE1 2.87Å; E328-E332 PolarHBondContact O-N 2.8Å; I329-E332 PolarHBondContact O-N 3.23Å; L330-E332 VanDerWaalsContact C-N 3.33Å; L330-E332 PolarHBondContact O-N 2.82Å; E332-L334 VanDerWaalsContact C-N 3.32Å; E332-L334 PolarHBondContact O-N 3.23Å; E332-G335 PolarHBondContact O-N 3.39Å; E332-G335 VanDerWaalsContact O-N 3.14Å; E332-I336 WeakPolarHBondContact O-CG1 3.25Å; E332-I336 PolarHBondContact O-N 3.15Å; E332-I336 VanDerWaalsContact O-N 3.12Å
333	L	86.1	Confident	83.9	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-57.3	-45.6	177.7	178.5	61.7	0	0	0	111.4	L281 Y284 L296 F302 Y306 I310 I329 L330 G335 I336 V337	L281-L333 HydrophobicContact CD2-CD2 4.05Å; Y284-L333 HydrophobicContact CE1-CG 4.49Å; L296-L333 HydrophobicContact CD1-CD1 3.93Å; L296-L333 HydrophobicContact CD2-CD1 3.62Å; L296-L333 HydrophobicContact CG-CD1 4.44Å; F302-L333 HydrophobicContact CE2-CD1 3.91Å; F302-L333 HydrophobicContact CE2-CD2 4.16Å; F302-L333 HydrophobicContact CZ-CD2 4.33Å; Y306-L333 HydrophobicContact CD1-CB 3.75Å; Y306-L333 HydrophobicContact CD1-CD1 4.14Å; Y306-L333 HydrophobicContact CD1-CD2 4.43Å; Y306-L333 HydrophobicContact CD1-CG 4.31Å; Y306-L333 HydrophobicContact CD2-CD1 4.4Å; Y306-L333 HydrophobicContact CE1-CB 3.92Å; Y306-L333 HydrophobicContact CE1-CD1 4.29Å; Y306-L333 HydrophobicContact CE2-CD1 4.5Å; Y306-L333 HydrophobicContact CG-CD1 4.22Å; Y306-L333 HydrophobicContact CG-CD2 4.5Å; I310-L333 HydrophobicContact CD1-CD2 4.13Å; I329-L333 WeakPolarHBondContact O-CB 3.24Å; I329-L333 PolarHBondContact O-N 2.93Å; L330-L333 PolarHBondContact O-N 3.44Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 3.45Å; L333-I336 PolarHBondContact O-N 3.45Å; L333-V337 HydrophobicContact CD1-CG2 3.95Å; L333-V337 WeakPolarHBondContact O-CG2 3.29Å; L333-V337 PolarHBondContact O-N 3.42Å
334	L	81.9	Confident	84	Confident	30 Å²	30	79.4 Å²	79.4	16%	0.157	37%	0.374	C	S	.	.	H	α-helix	trans	-63.7	-39.2	177.8	-71.5	177.1	0	0	0	111.9	L330 Q331 E332 I336 V337 T338 V607 V608	L330-L334 HydrophobicContact CD1-CD1 4.33Å; L330-L334 HydrophobicContact CD1-CG 4.27Å; L330-L334 HydrophobicContact CG-CD1 4.13Å; L330-L334 HydrophobicContact CG-CG 4.47Å; L330-L334 WeakPolarHBondContact O-CB 3.43Å; L330-L334 VanDerWaalsContact O-CG 3.26Å; L330-L334 WeakPolarHBondContact O-CG 3.3Å; L330-L334 PolarHBondContact O-N 2.97Å; Q331-L334 PolarHBondContact O-N 3.47Å; E332-L334 VanDerWaalsContact C-N 3.32Å; E332-L334 PolarHBondContact O-N 3.23Å; L334-I336 VanDerWaalsContact C-N 3.29Å; L334-I336 PolarHBondContact O-N 2.89Å; L334-V337 PolarHBondContact O-N 3.35Å; L334-T338 WeakPolarHBondContact O-CB 3.32Å; L334-T338 PolarHBondContact O-N 3.49Å; L334-T338 PolarHBondContact O-OG1 3.16Å; L334-V607 HydrophobicContact CD2-CB 4.39Å; L334-V608 HydrophobicContact CD2-CG2 3.93Å
335	G	83.8	Confident	83.4	Confident	41 Å²	41	76.9 Å²	76.9	42%	0.423	37%	0.37	S	S	.	.	H	α-helix	trans	-63.4	-32	176.9	0	0	0	0	0	113.7	Q331 E332 L333 R339	Q331-G335 PolarHBondContact O-N 2.91Å; E332-G335 PolarHBondContact O-N 3.39Å; E332-G335 VanDerWaalsContact O-N 3.14Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 3.45Å; G335-R339 PolarHBondContact O-NE 2.87Å
336	I	85.2	Confident	82.5	Confident	44 Å²	44	73.6 Å²	73.6	23%	0.226	36%	0.357	C	S	.	.	H	α-helix	trans	-75.5	-52	173.7	-63.3	168.1	0	0	0	109.9	L295 L296 Y306 E332 L333 L334 R339	L295-I336 HydrophobicContact CD1-CG2 3.88Å; L295-I336 HydrophobicContact CD2-CG2 3.99Å; L295-I336 HydrophobicContact CG-CG2 3.81Å; L296-I336 HydrophobicContact CD2-CG2 4.09Å; Y306-I336 WeakPolarHBondContact OH-CD1 3.24Å; E332-I336 WeakPolarHBondContact O-CG1 3.25Å; E332-I336 PolarHBondContact O-N 3.15Å; E332-I336 VanDerWaalsContact O-N 3.12Å; L333-I336 PolarHBondContact O-N 3.45Å; L334-I336 VanDerWaalsContact C-N 3.29Å; L334-I336 PolarHBondContact O-N 2.89Å; I336-R339 WeakPolarHBondContact O-CB 3.5Å; I336-R339 PolarHBondContact O-N 2.84Å
337	V	81.1	Confident	81.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-78.6	-27.5	-168	-178.4	0	0	0	0	113.3	Y284 V288 L296 L333 L334 R339 C340 I341	Y284-V337 HydrophobicContact CE1-CB 3.81Å; Y284-V337 HydrophobicContact CE1-CG1 3.56Å; Y284-V337 HydrophobicContact CE1-CG2 3.75Å; Y284-V337 HydrophobicContact CE2-CG1 4.39Å; Y284-V337 WeakPolarHBondContact OH-CB 3.47Å; Y284-V337 WeakPolarHBondContact OH-CG1 3.36Å; V288-V337 HydrophobicContact CG1-CG2 4.32Å; V288-V337 HydrophobicContact CG2-CG1 3.53Å; V288-V337 HydrophobicContact CG2-CG2 4.11Å; L296-V337 HydrophobicContact CD1-CG2 4.13Å; L296-V337 HydrophobicContact CD2-CG2 4.22Å; L333-V337 HydrophobicContact CD1-CG2 3.95Å; L333-V337 WeakPolarHBondContact O-CG2 3.29Å; L333-V337 PolarHBondContact O-N 3.42Å; L334-V337 PolarHBondContact O-N 3.35Å; V337-R339 PolarHBondContact O-N 3.44Å; V337-C340 PolarHBondContact O-N 2.79Å; V337-C340 PolarHBondContact O-SG 2.86Å; V337-I341 HydrophobicContact CG1-CD1 3.38Å; V337-I341 HydrophobicContact CG1-CG1 3.7Å; V337-I341 PolarHBondContact O-N 2.87Å
338	T	81.2	Confident	81.5	Confident	95 Å²	95	75.2 Å²	75.2	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20	173.6	-59	0	0	0	0	112.2	L334	L334-T338 WeakPolarHBondContact O-CB 3.32Å; L334-T338 PolarHBondContact O-N 3.49Å; L334-T338 PolarHBondContact O-OG1 3.16Å
339	R	82.8	Confident	80.7	Confident	219 Å²	219	73.6 Å²	73.6	83%	0.826	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-25.7	175.3	-56.1	178.6	-172.3	-165.4	-1.6	113.4	G335 I336 V337	G335-R339 PolarHBondContact O-NE 2.87Å; I336-R339 WeakPolarHBondContact O-CB 3.5Å; I336-R339 PolarHBondContact O-N 2.84Å; V337-R339 PolarHBondContact O-N 3.44Å
340	C	81.8	Confident	79.9	Confident	42 Å²	42	73.9 Å²	73.9	28%	0.284	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-9.3	178.7	64.3	0	0	0	0	113.8	V337	V337-C340 PolarHBondContact O-N 2.79Å; V337-C340 PolarHBondContact O-SG 2.86Å
341	I	81	Confident	79.4	Confident	51 Å²	51	80.1 Å²	80.1	26%	0.262	40%	0.397	S	S	.	.			trans	-102.8	125.8	176.2	-64.3	-174.2	0	0	0	110.9	I277 Y284 V337	I277-I341 HydrophobicContact CD1-CD1 4.15Å; Y284-I341 HydrophobicContact CE2-CD1 3.72Å; Y284-I341 WeakPolarHBondContact OH-CD1 3.3Å; V337-I341 HydrophobicContact CG1-CD1 3.38Å; V337-I341 HydrophobicContact CG1-CG1 3.7Å; V337-I341 PolarHBondContact O-N 2.87Å
342	I	83	Confident	79.2	Confident	138 Å²	138	84 Å²	84	71%	0.708	41%	0.409	S	S	*	.			trans	-111.4	108	172.1	-58.2	174	0	0	0	108.3	R344	I342-R344 HydrophobicContact CG2-CG 4.18Å
343	R	79.5	Confident	79.2	Confident	124 Å²	124	80.5 Å²	80.5	47%	0.468	39%	0.392	S	S	.	.			trans	-98.4	127.5	174.1	-169	175.9	-179.6	176.9	2.3	110	S604	R343-S604 PolarHBondContact NH1-O 3.11Å; R343-S604 PolarHBondContact NH2-O 3.49Å
344	R	80.1	Confident	79.4	Confident	190 Å²	190	82 Å²	82	72%	0.717	40%	0.402	S	S	*	.			trans	-122.7	128.1	177.6	-65.2	-71	178.8	176.8	0.4	108.2	I342 L348	I342-R344 HydrophobicContact CG2-CG 4.18Å; R344-L348 HydrophobicContact CB-CD1 3.86Å; R344-L348 HydrophobicContact CG-CD1 4.11Å
345	T	74.4	Confident	79.9	Confident	84 Å²	84	81.1 Å²	81.1	52%	0.515	40%	0.398	S	S	.	.			trans	-99.3	162.8	-179.2	60.8	0	0	0	0	111	A347 L348	T345-A347 PolarHBondContact O-N 2.79Å; T345-A347 VanDerWaalsContact O-N 3.09Å; T345-L348 PolarHBondContact O-N 3.23Å; T345-L348 VanDerWaalsContact O-N 3.15Å
346	Q	70.4	Confident	80.3	Confident	53 Å²	53	79.3 Å²	79.3	25%	0.248	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-60.3	-18.3	176.4	-65.5	-176.2	9	0	0	112.8	L348 L349 T350 W570	Q346-L348 PolarHBondContact O-N 2.9Å; Q346-L349 WeakPolarHBondContact O-CB 3.41Å; Q346-L349 PolarHBondContact O-N 2.89Å; Q346-T350 PolarHBondContact O-N 3.14Å; Q346-W570 HydrophobicContact CB-CZ3 4.31Å
347	A	70.1	Confident	80.8	Confident	48 Å²	48	77.4 Å²	77.4	40%	0.397	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.2	-17.1	173.4	0	0	0	0	0	113.6	T345 T350	T345-A347 PolarHBondContact O-N 2.79Å; T345-A347 VanDerWaalsContact O-N 3.09Å; A347-T350 PolarHBondContact O-OG1 2.9Å
348	L	73.5	Confident	81.5	Confident	81 Å²	81	77.6 Å²	77.6	42%	0.424	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-79.6	-25	173.2	-64.5	170.7	0	0	0	113.2	R344 T345 Q346	R344-L348 HydrophobicContact CB-CD1 3.86Å; R344-L348 HydrophobicContact CG-CD1 4.11Å; T345-L348 PolarHBondContact O-N 3.23Å; T345-L348 VanDerWaalsContact O-N 3.15Å; Q346-L348 PolarHBondContact O-N 2.9Å
349	L	71.9	Confident	82.2	Confident	81 Å²	81	73.2 Å²	73.2	42%	0.424	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.1	-178.7	-60.1	178.3	0	0	0	112.5	Q346 K351 Y352 L353	Q346-L349 WeakPolarHBondContact O-CB 3.41Å; Q346-L349 PolarHBondContact O-N 2.89Å; L349-K351 PolarHBondContact O-N 2.91Å; L349-Y352 PolarHBondContact O-N 2.75Å; L349-L353 HydrophobicContact CB-CD1 3.69Å; L349-L353 HydrophobicContact CB-CG 4.11Å; L349-L353 HydrophobicContact CD1-CD1 4.17Å; L349-L353 PolarHBondContact O-N 3.23Å
350	T	71.4	Confident	82.9	Confident	26 Å²	26	62.8 Å²	62.8	16%	0.16	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.5	179	56	0	0	0	0	113.3	Q346 A347 Y352 W570 H700	Q346-T350 PolarHBondContact O-N 3.14Å; A347-T350 PolarHBondContact O-OG1 2.9Å; T350-Y352 VanDerWaalsContact C-N 3.34Å; T350-W570 HydrophobicContact CG2-CH2 4.34Å; T350-H700 HydrophobicContact CG2-CB 4.31Å; T350-H700 PolarHBondContact O-NE2 2.89Å
351	K	74.6	Confident	83.7	Confident	141 Å²	141	60.8 Å²	60.8	61%	0.613	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-17	175.1	-62.8	-175	179.4	-174.9	0	114.4	L349	L349-K351 PolarHBondContact O-N 2.91Å
352	Y	81.4	Confident	84.5	Confident	189 Å²	189	58.4 Å²	58.4	74%	0.741	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-15.8	-170.5	-53.4	-75.1	0	0	0	113.5	L349 T350	L349-Y352 PolarHBondContact O-N 2.75Å; T350-Y352 VanDerWaalsContact C-N 3.34Å
353	L	88.6	Confident	85.3	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	24%	0.244	C	C	.	.	S	Bend	trans	-99.9	146.3	-179.2	-63.5	-176.7	0	0	0	111.2	L349 W570 R571 H700	L349-L353 HydrophobicContact CB-CD1 3.69Å; L349-L353 HydrophobicContact CB-CG 4.11Å; L349-L353 HydrophobicContact CD1-CD1 4.17Å; L349-L353 PolarHBondContact O-N 3.23Å; L353-W570 HydrophobicContact CB-CH2 4.47Å; L353-W570 HydrophobicContact CB-CZ2 3.68Å; L353-W570 HydrophobicContact CD1-CD2 3.76Å; L353-W570 HydrophobicContact CD1-CE3 3.88Å; L353-W570 HydrophobicContact CD1-CG 4.42Å; L353-W570 HydrophobicContact CD1-CH2 3.94Å; L353-W570 HydrophobicContact CD1-CZ2 3.81Å; L353-W570 HydrophobicContact CD1-CZ3 3.97Å; L353-W570 HydrophobicContact CG-CZ2 4.38Å; L353-R571 WeakPolarHBondContact CD2-O 3.38Å; L353-H700 PolarHBondContact O-CE1 2.93Å; L353-H700 PolarHBondContact O-NE2 3.01Å
354	P	90.6	Very high	86.2	Confident	32 Å²	32	47.7 Å²	47.7	21%	0.208	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-55.6	158.3	169	-23.7	34.3	0	0	0	111.7	K356 W570 Q574 K576	P354-K356 PolarHBondContact O-N 2.84Å; P354-W570 PolarHBondContact O-NE1 3.48Å; P354-Q574 WeakPolarHBondContact CD-O 3.27Å; P354-Q574 HydrophobicContact CG-CG 4.24Å; P354-Q574 WeakPolarHBondContact CG-O 3.26Å; P354-K576 WeakPolarHBondContact CB-O 3.41Å
355	V	91.5	Very high	87	Confident	11 Å²	11	38.7 Å²	38.7	7%	0.067	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-56.4	138.4	173.6	179.5	0	0	0	0	109.8	Q577 C578 Y698 E702	V355-Q577 HydrophobicContact CB-CG 4.44Å; V355-Q577 WeakPolarHBondContact O-CA 3.43Å; V355-Q577 VanDerWaalsContact O-CG 3.3Å; V355-Q577 WeakPolarHBondContact O-CG 3.34Å; V355-C578 PolarHBondContact O-N 3.37Å; V355-Y698 HydrophobicContact CG1-CD1 3.67Å; V355-Y698 HydrophobicContact CG1-CE1 4.41Å; V355-E702 HydrophobicContact CG2-CB 3.92Å; V355-E702 HydrophobicContact CG2-CG 4.17Å
356	K	92.8	Very high	88.1	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.017	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.5	162.9	62	167.4	175.5	173.7	0	110	P354 E358 W570 C578 Y698 S699	P354-K356 PolarHBondContact O-N 2.84Å; K356-E358 HydrophobicContact CD-CG 4.29Å; K356-E358 VanDerWaalsContact CE-OE1 3.29Å; K356-E358 WeakPolarHBondContact CE-OE1 3.44Å; K356-E358 IonicContact NZ-OE1 3.63Å; K356-E358 PolarHBondContact NZ-OE1 3.03Å; K356-W570 HydrophobicContact CB-CD2 4.38Å; K356-W570 HydrophobicContact CB-CG 4.22Å; K356-W570 HydrophobicContact CD-CD2 3.72Å; K356-W570 HydrophobicContact CD-CE3 3.83Å; K356-W570 HydrophobicContact CD-CG 4.13Å; K356-W570 HydrophobicContact CD-CH2 4.45Å; K356-W570 HydrophobicContact CD-CZ2 4.35Å; K356-W570 HydrophobicContact CD-CZ3 4.2Å; K356-W570 HydrophobicContact CG-CD2 4.08Å; K356-W570 HydrophobicContact CG-CG 4.41Å; K356-W570 HydrophobicContact CG-CZ2 4.13Å; K356-C578 CarbonylContact C-O 3.59Å; K356-C578 VanDerWaalsContact CA-O 3.3Å; K356-C578 WeakPolarHBondContact CA-O 3.41Å; K356-C578 HydrophobicContact CB-CB 3.93Å; K356-Y698 WeakPolarHBondContact O-CA 3.29Å; K356-S699 VanDerWaalsContact CG-OG 3.3Å; K356-S699 WeakPolarHBondContact CG-OG 3.48Å; K356-S699 PolarHBondContact N-OG 3.27Å; K356-S699 PolarHBondContact O-N 3.01Å; K356-S699 PolarHBondContact O-OG 3.07Å
357	I	94.9	Very high	89.2	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.8	168.1	-45.2	-170.8	0	0	0	107.4	Q359 C578 Y579 I580 H697 Y698	I357-Q359 HydrophobicContact CG2-CG 3.8Å; I357-C578 PolarHBondContact N-O 2.88Å; I357-Y579 HydrophobicContact CB-CD1 4.37Å; I357-Y579 HydrophobicContact CD1-CD1 4.04Å; I357-Y579 HydrophobicContact CD1-CE1 3.7Å; I357-Y579 HydrophobicContact CG1-CD1 4.35Å; I357-Y579 HydrophobicContact CG1-CE1 4.38Å; I357-I580 PolarHBondContact O-N 3.41Å; I357-H697 WeakPolarHBondContact CA-O 3.49Å; I357-Y698 HydrophobicContact CD1-CD1 4.18Å; I357-Y698 HydrophobicContact CD1-CE1 3.44Å; I357-Y698 VanDerWaalsContact CD1-CE1 3.44Å; I357-Y698 HydrophobicContact CG1-CD1 3.73Å; I357-Y698 HydrophobicContact CG1-CE1 3.54Å
358	E	95.3	Very high	90.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131	170.3	-66.8	-170.6	-154	0	0	109.4	K356 M566 I580 R582 C661 W668 W696 H697	K356-E358 HydrophobicContact CD-CG 4.29Å; K356-E358 VanDerWaalsContact CE-OE1 3.29Å; K356-E358 WeakPolarHBondContact CE-OE1 3.44Å; K356-E358 IonicContact NZ-OE1 3.63Å; K356-E358 PolarHBondContact NZ-OE1 3.03Å; E358-M566 HydrophobicContact CG-SD 4.42Å; E358-I580 HydrophobicContact CG-CB 4.18Å; E358-I580 HydrophobicContact CG-CG1 4.14Å; E358-R582 IonicContact OE2-CZ 2.78Å; E358-R582 IonicContact OE2-NH1 3.08Å; E358-R582 IonicContact OE2-NH2 2.87Å; E358-R582 PolarHBondContact OE2-NH2 3.3Å; E358-C661 HydrophobicContact CB-CB 4.42Å; E358-C661 HydrophobicContact CG-CB 4.17Å; E358-W668 HydrophobicContact CB-CH2 3.76Å; E358-W668 HydrophobicContact CB-CZ3 4.04Å; E358-W696 CarbonylContact O-C 3.6Å; E358-W696 WeakPolarHBondContact O-CA 3.35Å; E358-H697 PolarHBondContact N-O 3.22Å; E358-H697 PolarHBondContact O-N 3.4Å
359	Q	97	Very high	91.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	116.4	-175.5	-57.5	178.4	95.8	0	0	108.8	I357 V361 I580 Y581 R582 D679 L682 V694 F695 W696	I357-Q359 HydrophobicContact CG2-CG 3.8Å; Q359-V361 HydrophobicContact CB-CG2 4.44Å; Q359-I580 PolarHBondContact N-O 3.17Å; Q359-Y581 HydrophobicContact CB-CD1 4.47Å; Q359-Y581 CarbonylContact O-C 3.57Å; Q359-Y581 WeakPolarHBondContact O-CA 3.39Å; Q359-R582 PolarHBondContact O-N 3.17Å; Q359-D679 PolarHBondContact NE2-OD2 3.33Å; Q359-L682 HydrophobicContact CB-CD2 4.25Å; Q359-L682 HydrophobicContact CG-CD2 4.47Å; Q359-V694 HydrophobicContact CB-CG1 4.43Å; Q359-F695 CarbonylContact C-O 3.57Å; Q359-F695 WeakPolarHBondContact CA-O 3.41Å; Q359-W696 HydrophobicContact CB-CB 4.43Å; Q359-W696 HydrophobicContact CG-CB 3.92Å
360	V	97.4	Very high	92.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114.9	170.8	-177.1	0	0	0	0	107.6	R582 I584 L594 F665 W668 V694 F695	V360-R582 CarbonylContact C-O 3.59Å; V360-R582 WeakPolarHBondContact CA-O 3.41Å; V360-R582 HydrophobicContact CG2-CB 4.35Å; V360-I584 HydrophobicContact CG1-CD1 4.16Å; V360-I584 HydrophobicContact CG1-CG1 3.92Å; V360-L594 HydrophobicContact CG1-CD1 4.39Å; V360-L594 HydrophobicContact CG1-CD2 3.64Å; V360-F665 HydrophobicContact CG2-CE1 3.9Å; V360-F665 HydrophobicContact CG2-CZ 4.03Å; V360-W668 HydrophobicContact CG2-CZ3 4.27Å; V360-V694 VanDerWaalsContact O-CA 3.28Å; V360-V694 WeakPolarHBondContact O-CA 3.36Å; V360-F695 HydrophobicContact CB-CB 4.18Å; V360-F695 HydrophobicContact CB-CD2 4.44Å; V360-F695 PolarHBondContact N-O 2.85Å; V360-F695 PolarHBondContact O-N 3.14Å
361	V	98.5	Very high	94.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.9	-171.6	-173.7	0	0	0	0	109	Q359 R582 L583 I584 L682 I691 V694	Q359-V361 HydrophobicContact CB-CG2 4.44Å; V361-R582 PolarHBondContact N-O 3.01Å; V361-L583 HydrophobicContact CB-CD2 3.73Å; V361-L583 HydrophobicContact CG1-CD2 4.22Å; V361-L583 HydrophobicContact CG2-CD2 4.1Å; V361-I584 PolarHBondContact O-N 2.86Å; V361-L682 HydrophobicContact CG1-CD1 4.35Å; V361-L682 HydrophobicContact CG2-CD1 3.98Å; V361-L682 HydrophobicContact CG2-CD2 3.9Å; V361-I691 HydrophobicContact CG1-CB 4.5Å; V361-I691 HydrophobicContact CG1-CD1 3.79Å; V361-I691 HydrophobicContact CG1-CG1 3.91Å; V361-I691 HydrophobicContact CG1-CG2 3.89Å; V361-V694 HydrophobicContact CB-CG2 4.45Å; V361-V694 HydrophobicContact CG1-CG2 4.15Å; V361-V694 HydrophobicContact CG2-CG2 4.34Å
362	C	98.4	Very high	95.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.6	175.6	-53.5	0	0	0	0	109.7	I584 T586 I691 S692 F693	C362-I584 WeakPolarHBondContact CA-O 3.42Å; C362-I584 HydrophobicContact CB-CD1 4.45Å; C362-I584 VanDerWaalsContact SG-CD1 3.58Å; C362-T586 VanDerWaalsContact C-OG1 3.3Å; C362-T586 WeakPolarHBondContact CB-OG1 3.47Å; C362-I691 WeakPolarHBondContact O-CA 3.36Å; C362-S692 WeakPolarHBondContact CB-OG 3.38Å; C362-S692 PolarHBondContact O-N 2.63Å; C362-S692 PolarHBondContact O-OG 3.03Å; C362-F693 HydrophobicContact CB-CB 4Å; C362-F693 WeakPolarHBondContact CB-O 3.35Å; C362-F693 PolarHBondContact N-O 3Å
363	C	98.5	Very high	96	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.5	-177.4	-59.3	0	0	0	0	109.9	K459 I584 S585 T586 C690	C363-K459 HydrophobicContact CB-CG 3.77Å; C363-I584 PolarHBondContact N-O 3.02Å; C363-S585 CarbonylContact O-C 3.51Å; C363-S585 VanDerWaalsContact O-CA 3.27Å; C363-S585 WeakPolarHBondContact O-CA 3.44Å; C363-T586 VanDerWaalsContact C-OG1 3.31Å; C363-T586 PolarHBondContact N-OG1 3.4Å; C363-T586 PolarHBondContact O-N 2.75Å; C363-T586 PolarHBondContact O-OG1 3.43Å; C363-C690 CarbonylContact C-O 3.58Å; C363-C690 WeakPolarHBondContact CA-O 3.39Å
364	N	98.3	Very high	96.4	Very high	37 Å²	37	19 Å²	19	20%	0.198	11%	0.111	C	C	.	.			trans	-65.1	141.6	174.9	-73.8	-31.7	0	0	0	111.5	G458 C690 S692	N364-G458 WeakPolarHBondContact O-CA 3.29Å; N364-C690 PolarHBondContact N-O 3.21Å; N364-S692 WeakPolarHBondContact OD1-CB 3.17Å
365	L	98.3	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.			trans	-66.4	142.3	164.9	-58.2	-178.3	0	0	0	110	Q369 R370 Y373 T588 Y629	L365-Q369 HydrophobicContact CD2-CG 4.14Å; L365-R370 HydrophobicContact CB-CB 3.93Å; L365-R370 HydrophobicContact CB-CG 4.37Å; L365-R370 VanDerWaalsContact O-CZ 3.31Å; L365-R370 PolarHBondContact O-NE 3.43Å; L365-R370 PolarHBondContact O-NH2 2.96Å; L365-Y373 HydrophobicContact CD1-CD1 3.87Å; L365-Y373 HydrophobicContact CD1-CD2 3.88Å; L365-Y373 HydrophobicContact CD1-CG 3.49Å; L365-Y373 VanDerWaalsContact CD1-CG 3.49Å; L365-T588 HydrophobicContact CD1-CG2 3.75Å; L365-T588 HydrophobicContact CD2-CG2 4.2Å; L365-T588 HydrophobicContact CG-CG2 3.95Å; L365-Y629 HydrophobicContact CD1-CE2 4.06Å
366	V	96.1	Very high	96.8	Very high	23 Å²	23	18.3 Å²	18.3	14%	0.139	11%	0.106	C	C	.	.			trans	-117.3	143	-172.3	-62	0	0	0	0	112.8	S368 Q369 R370 E455	V366-S368 PolarHBondContact O-N 3.38Å; V366-Q369 WeakPolarHBondContact O-CB 3.29Å; V366-Q369 PolarHBondContact O-N 2.87Å; V366-R370 PolarHBondContact O-N 2.71Å; V366-E455 WeakPolarHBondContact CG2-O 3.1Å
367	G	95.1	Very high	96.9	Very high	56 Å²	56	18.4 Å²	18.4	58%	0.577	11%	0.107	S	C	*	.	H	α-helix	trans	43.4	-127.3	171.7	0	0	0	0	0	114.5	Q369 R370 E371	G367-Q369 VanDerWaalsContact C-N 3.25Å; G367-Q369 PolarHBondContact O-N 2.81Å; G367-R370 WeakPolarHBondContact O-CB 3.33Å; G367-R370 PolarHBondContact O-N 3.28Å; G367-R370 VanDerWaalsContact O-N 3.1Å; G367-E371 PolarHBondContact O-N 2.86Å
368	S	96.4	Very high	96.7	Very high	23 Å²	23	23.5 Å²	23.5	16%	0.161	13%	0.129	C	C	.	.	H	α-helix	trans	-57.3	-32	179.7	-47.9	0	0	0	0	113.9	V366 R370 E371 V372 Y437 F438	V366-S368 PolarHBondContact O-N 3.38Å; S368-R370 VanDerWaalsContact C-N 3.3Å; S368-R370 PolarHBondContact O-N 3.49Å; S368-E371 PolarHBondContact O-N 2.83Å; S368-V372 VanDerWaalsContact O-CG2 3.28Å; S368-V372 WeakPolarHBondContact O-CG2 3.47Å; S368-V372 PolarHBondContact O-N 3.45Å; S368-Y437 VanDerWaalsContact CB-O 3.24Å; S368-Y437 WeakPolarHBondContact CB-O 3.46Å; S368-Y437 PolarHBondContact OG-O 3.19Å; S368-F438 VanDerWaalsContact CB-CE1 3.41Å
369	Q	97.5	Very high	96.5	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-59.3	-42.6	176.5	-174.8	-168	35.5	0	0	111.3	L365 V366 G367 Y373 L413 C414 P417 L456 S457	L365-Q369 HydrophobicContact CD2-CG 4.14Å; V366-Q369 WeakPolarHBondContact O-CB 3.29Å; V366-Q369 PolarHBondContact O-N 2.87Å; G367-Q369 VanDerWaalsContact C-N 3.25Å; G367-Q369 PolarHBondContact O-N 2.81Å; Q369-Y373 WeakPolarHBondContact O-CB 3.5Å; Q369-Y373 PolarHBondContact O-N 2.97Å; Q369-L413 HydrophobicContact CG-CD1 4.27Å; Q369-L413 PolarHBondContact NE2-O 3.03Å; Q369-C414 PolarHBondContact NE2-O 3.4Å; Q369-P417 HydrophobicContact CB-CG 3.95Å; Q369-P417 HydrophobicContact CG-CG 4.05Å; Q369-L456 WeakPolarHBondContact CB-O 3.43Å; Q369-S457 PolarHBondContact NE2-OG 3.27Å
370	R	98.1	Very high	96	Very high	88 Å²	88	27.7 Å²	27.7	33%	0.332	15%	0.145	S	C	.	.	H	α-helix	trans	-65.2	-44.2	178.9	-175.8	-175.2	-60.7	176.9	0.5	111.4	L365 V366 G367 S368 Y373 S374 Y629	L365-R370 HydrophobicContact CB-CB 3.93Å; L365-R370 HydrophobicContact CB-CG 4.37Å; L365-R370 VanDerWaalsContact O-CZ 3.31Å; L365-R370 PolarHBondContact O-NE 3.43Å; L365-R370 PolarHBondContact O-NH2 2.96Å; V366-R370 PolarHBondContact O-N 2.71Å; G367-R370 WeakPolarHBondContact O-CB 3.33Å; G367-R370 PolarHBondContact O-N 3.28Å; G367-R370 VanDerWaalsContact O-N 3.1Å; S368-R370 VanDerWaalsContact C-N 3.3Å; S368-R370 PolarHBondContact O-N 3.49Å; R370-Y373 PolarHBondContact O-N 3.4Å; R370-S374 VanDerWaalsContact O-CB 3.22Å; R370-S374 WeakPolarHBondContact O-CB 3.45Å; R370-S374 PolarHBondContact O-N 2.88Å; R370-Y629 HydrophobicContact CG-CE1 4.12Å
371	E	97.7	Very high	95.4	Very high	89 Å²	89	29.1 Å²	29.1	42%	0.416	16%	0.157	S	C	.	.	H	α-helix	trans	-64.5	-46.4	-179	-63.1	-52.2	134.6	0	0	111.7	G367 S368 Y373 S374 D375 Y437	G367-E371 PolarHBondContact O-N 2.86Å; S368-E371 PolarHBondContact O-N 2.83Å; E371-Y373 VanDerWaalsContact C-N 3.35Å; E371-Y373 PolarHBondContact O-N 3.22Å; E371-S374 PolarHBondContact O-N 3.49Å; E371-D375 WeakPolarHBondContact O-CB 3.49Å; E371-D375 PolarHBondContact O-N 3.42Å; E371-Y437 HydrophobicContact CB-CD1 3.49Å; E371-Y437 VanDerWaalsContact CB-CD1 3.49Å; E371-Y437 HydrophobicContact CB-CD2 4.28Å; E371-Y437 HydrophobicContact CB-CE1 3.84Å; E371-Y437 HydrophobicContact CB-CG 3.74Å; E371-Y437 HydrophobicContact CG-CD1 4.08Å; E371-Y437 HydrophobicContact CG-CE1 4.47Å
372	V	97.5	Very high	94.7	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-44.6	176.5	177.5	0	0	0	0	111	S368 D375 F376 L413 M424 F431 A434 Y437 F438	S368-V372 VanDerWaalsContact O-CG2 3.28Å; S368-V372 WeakPolarHBondContact O-CG2 3.47Å; S368-V372 PolarHBondContact O-N 3.45Å; V372-D375 PolarHBondContact O-N 2.88Å; V372-F376 VanDerWaalsContact O-CB 3.26Å; V372-F376 WeakPolarHBondContact O-CB 3.37Å; V372-F376 PolarHBondContact O-N 3.32Å; V372-L413 HydrophobicContact CB-CD2 4.25Å; V372-L413 HydrophobicContact CG1-CD1 4.31Å; V372-L413 HydrophobicContact CG1-CD2 3.78Å; V372-M424 HydrophobicContact CG1-SD 4.2Å; V372-M424 HydrophobicContact CG2-SD 4.36Å; V372-F431 HydrophobicContact CG1-CD1 3.88Å; V372-F431 HydrophobicContact CG1-CE1 3.85Å; V372-A434 HydrophobicContact CG1-CB 4.05Å; V372-A434 HydrophobicContact CG2-CB 4.29Å; V372-Y437 HydrophobicContact CG2-CD2 3.82Å; V372-Y437 HydrophobicContact CG2-CG 4.39Å; V372-F438 HydrophobicContact CG2-CE2 3.62Å; V372-F438 HydrophobicContact CG2-CZ 4.15Å
373	Y	98.1	Very high	93.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.7	-47.5	178.8	-169.5	-78.9	0	0	0	110.7	L365 Q369 R370 E371 F376 V377 L410 L413 C414 T588 I589 Y629	L365-Y373 HydrophobicContact CD1-CD1 3.87Å; L365-Y373 HydrophobicContact CD1-CD2 3.88Å; L365-Y373 HydrophobicContact CD1-CG 3.49Å; L365-Y373 VanDerWaalsContact CD1-CG 3.49Å; Q369-Y373 WeakPolarHBondContact O-CB 3.5Å; Q369-Y373 PolarHBondContact O-N 2.97Å; R370-Y373 PolarHBondContact O-N 3.4Å; E371-Y373 VanDerWaalsContact C-N 3.35Å; E371-Y373 PolarHBondContact O-N 3.22Å; Y373-F376 PolarHBondContact O-N 3.04Å; Y373-V377 HydrophobicContact CD1-CG1 3.89Å; Y373-V377 HydrophobicContact CE1-CG1 3.45Å; Y373-V377 VanDerWaalsContact CE1-CG1 3.45Å; Y373-V377 WeakPolarHBondContact O-CG1 3.32Å; Y373-V377 WeakPolarHBondContact O-CG2 3.5Å; Y373-V377 PolarHBondContact O-N 3.14Å; Y373-L410 HydrophobicContact CD2-CD2 3.82Å; Y373-L410 HydrophobicContact CE2-CB 3.99Å; Y373-L410 HydrophobicContact CE2-CD2 3.58Å; Y373-L410 HydrophobicContact CE2-CG 4.3Å; Y373-L410 HydrophobicContact CG-CD2 4.37Å; Y373-L413 HydrophobicContact CD2-CD2 3.9Å; Y373-L413 HydrophobicContact CD2-CG 4.29Å; Y373-L413 HydrophobicContact CG-CD2 4.28Å; Y373-C414 VanDerWaalsContact CE2-SG 3.56Å; Y373-T588 HydrophobicContact CE1-CG2 4.17Å; Y373-T588 HydrophobicContact CE2-CG2 4.2Å; Y373-T588 WeakPolarHBondContact OH-CB 3Å; Y373-I589 PolarHBondContact OH-N 2.87Å; Y373-Y629 HydrophobicContact CD1-CD1 4.21Å; Y373-Y629 HydrophobicContact CD1-CD2 4.03Å; Y373-Y629 AromaticContact CD1-CG 3.89Å; Y373-Y629 HydrophobicContact CD1-CG 3.89Å; Y373-Y629 AromaticContact CE1-CD2 3.84Å; Y373-Y629 HydrophobicContact CE1-CD2 3.84Å; Y373-Y629 AromaticContact CE1-CG 3.89Å; Y373-Y629 HydrophobicContact CE1-CG 3.89Å
374	S	97.1	Very high	93.1	Very high	20 Å²	20	39.2 Å²	39.2	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-60.4	-44.7	179	-172.8	0	0	0	0	112.6	R370 E371 V377 K378	R370-S374 VanDerWaalsContact O-CB 3.22Å; R370-S374 WeakPolarHBondContact O-CB 3.45Å; R370-S374 PolarHBondContact O-N 2.88Å; E371-S374 PolarHBondContact O-N 3.49Å; S374-V377 VanDerWaalsContact O-CG2 3.29Å; S374-V377 WeakPolarHBondContact O-CG2 3.46Å; S374-K378 WeakPolarHBondContact O-CB 3.42Å; S374-K378 WeakPolarHBondContact O-CD 3.39Å; S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.38Å; S374-K378 VanDerWaalsContact O-N 3.13Å; S374-K378 WeakPolarHBondContact OG-CE 3.46Å; S374-K378 PolarHBondContact OG-NZ 3.4Å
375	D	95.4	Very high	92.2	Very high	27 Å²	27	40 Å²	40	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-64.9	-46	176	-176	42.7	0	0	0	111.5	E371 V372 V377 K378 R379 Y437	E371-D375 WeakPolarHBondContact O-CB 3.49Å; E371-D375 PolarHBondContact O-N 3.42Å; V372-D375 PolarHBondContact O-N 2.88Å; D375-V377 PolarHBondContact O-N 2.83Å; D375-K378 PolarHBondContact O-N 2.88Å; D375-R379 VanDerWaalsContact CG-NE 3.27Å; D375-R379 WeakPolarHBondContact O-CG 3.27Å; D375-R379 PolarHBondContact O-N 3.2Å; D375-R379 IonicContact OD1-CZ 3.79Å; D375-R379 IonicContact OD1-NE 3.01Å; D375-R379 PolarHBondContact OD1-NE 3.29Å; D375-R379 IonicContact OD1-NH2 3.69Å; D375-R379 IonicContact OD2-CZ 3.25Å; D375-R379 VanDerWaalsContact OD2-CZ 3.25Å; D375-R379 IonicContact OD2-NE 2.91Å; D375-R379 PolarHBondContact OD2-NE 3.47Å; D375-R379 IonicContact OD2-NH2 2.8Å; D375-R379 PolarHBondContact OD2-NH2 3.01Å; D375-Y437 HydrophobicContact CB-CE2 4.27Å
376	F	95.6	Very high	91.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-50.2	-179.7	-167.8	-76	0	0	0	111.6	V372 Y373 K378 R379 M380 H409 L410 D429 F431	V372-F376 VanDerWaalsContact O-CB 3.26Å; V372-F376 WeakPolarHBondContact O-CB 3.37Å; V372-F376 PolarHBondContact O-N 3.32Å; Y373-F376 PolarHBondContact O-N 3.04Å; F376-K378 PolarHBondContact O-N 3.22Å; F376-R379 PolarHBondContact O-N 2.84Å; F376-M380 HydrophobicContact CD1-CG 3.82Å; F376-M380 HydrophobicContact CE1-CG 3.55Å; F376-M380 HydrophobicContact CE1-SD 4.33Å; F376-M380 HydrophobicContact CZ-CG 4.38Å; F376-M380 WeakPolarHBondContact O-CG 3.47Å; F376-M380 PolarHBondContact O-N 3.4Å; F376-H409 HydrophobicContact CZ-CB 4.3Å; F376-L410 HydrophobicContact CB-CD2 4.24Å; F376-L410 HydrophobicContact CD1-CD1 4.26Å; F376-L410 HydrophobicContact CD1-CD2 3.45Å; F376-L410 VanDerWaalsContact CD1-CD2 3.45Å; F376-L410 HydrophobicContact CD1-CG 3.86Å; F376-L410 HydrophobicContact CE1-CD1 4.33Å; F376-L410 HydrophobicContact CE1-CD2 4.03Å; F376-L410 HydrophobicContact CE1-CG 3.92Å; F376-L410 HydrophobicContact CG-CD2 3.99Å; F376-D429 WeakPolarHBondContact CE2-O 2.88Å; F376-D429 WeakPolarHBondContact CZ-O 3.1Å; F376-F431 AromaticContact CD2-CD1 3.82Å; F376-F431 HydrophobicContact CD2-CD1 3.82Å; F376-F431 HydrophobicContact CD2-CD2 4.24Å; F376-F431 AromaticContact CD2-CE1 3.61Å; F376-F431 HydrophobicContact CD2-CE1 3.61Å; F376-F431 HydrophobicContact CD2-CE2 4.07Å; F376-F431 HydrophobicContact CD2-CG 4.13Å; F376-F431 AromaticContact CD2-CZ 3.75Å; F376-F431 HydrophobicContact CD2-CZ 3.75Å; F376-F431 HydrophobicContact CE2-CD1 4.23Å; F376-F431 AromaticContact CE2-CD2 3.81Å; F376-F431 HydrophobicContact CE2-CD2 3.81Å; F376-F431 AromaticContact CE2-CE1 3.98Å; F376-F431 HydrophobicContact CE2-CE1 3.98Å; F376-F431 AromaticContact CE2-CE2 3.55Å; F376-F431 HydrophobicContact CE2-CE2 3.55Å; F376-F431 HydrophobicContact CE2-CG 4.15Å; F376-F431 AromaticContact CE2-CZ 3.64Å; F376-F431 HydrophobicContact CE2-CZ 3.64Å; F376-F431 HydrophobicContact CZ-CE2 4.44Å
377	V	93.9	Very high	90.1	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-66.3	-37.4	-179.4	-63.3	0	0	0	0	112.4	Y373 S374 D375 R379 M380 A381 L410 F627	Y373-V377 HydrophobicContact CD1-CG1 3.89Å; Y373-V377 HydrophobicContact CE1-CG1 3.45Å; Y373-V377 VanDerWaalsContact CE1-CG1 3.45Å; Y373-V377 WeakPolarHBondContact O-CG1 3.32Å; Y373-V377 WeakPolarHBondContact O-CG2 3.5Å; Y373-V377 PolarHBondContact O-N 3.14Å; S374-V377 VanDerWaalsContact O-CG2 3.29Å; S374-V377 WeakPolarHBondContact O-CG2 3.46Å; D375-V377 PolarHBondContact O-N 2.83Å; V377-R379 VanDerWaalsContact C-N 3.31Å; V377-R379 PolarHBondContact O-N 2.84Å; V377-M380 PolarHBondContact O-N 2.98Å; V377-A381 VanDerWaalsContact O-CB 3.29Å; V377-A381 WeakPolarHBondContact O-CB 3.28Å; V377-A381 PolarHBondContact O-N 3.21Å; V377-L410 HydrophobicContact CG1-CD1 3.94Å; V377-L410 HydrophobicContact CG1-CD2 3.84Å; V377-F627 WeakPolarHBondContact CB-O 3.27Å
378	K	91.6	Very high	88.8	Confident	111 Å²	111	48.6 Å²	48.6	48%	0.483	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-39.8	175.3	-76.2	168.3	-175.3	166.3	0	111.6	S374 D375 F376 R382	S374-K378 WeakPolarHBondContact O-CB 3.42Å; S374-K378 WeakPolarHBondContact O-CD 3.39Å; S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.38Å; S374-K378 VanDerWaalsContact O-N 3.13Å; S374-K378 WeakPolarHBondContact OG-CE 3.46Å; S374-K378 PolarHBondContact OG-NZ 3.4Å; D375-K378 PolarHBondContact O-N 2.88Å; F376-K378 PolarHBondContact O-N 3.22Å; K378-R382 WeakPolarHBondContact O-CG 3.45Å; K378-R382 PolarHBondContact O-N 3.34Å
379	R	89.6	Confident	87.4	Confident	76 Å²	76	54.1 Å²	54.1	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-67.2	-46.1	176.4	-69.9	172.2	-173.4	-132.7	24.9	111.6	D375 F376 V377 R382 E383 H432	D375-R379 VanDerWaalsContact CG-NE 3.27Å; D375-R379 WeakPolarHBondContact O-CG 3.27Å; D375-R379 PolarHBondContact O-N 3.2Å; D375-R379 IonicContact OD1-CZ 3.79Å; D375-R379 IonicContact OD1-NE 3.01Å; D375-R379 PolarHBondContact OD1-NE 3.29Å; D375-R379 IonicContact OD1-NH2 3.69Å; D375-R379 IonicContact OD2-CZ 3.25Å; D375-R379 VanDerWaalsContact OD2-CZ 3.25Å; D375-R379 IonicContact OD2-NE 2.91Å; D375-R379 PolarHBondContact OD2-NE 3.47Å; D375-R379 IonicContact OD2-NH2 2.8Å; D375-R379 PolarHBondContact OD2-NH2 3.01Å; F376-R379 PolarHBondContact O-N 2.84Å; V377-R379 VanDerWaalsContact C-N 3.31Å; V377-R379 PolarHBondContact O-N 2.84Å; R379-R382 PolarHBondContact O-N 3.37Å; R379-E383 PolarHBondContact O-N 2.86Å; R379-H432 PolarHBondContact NH2-O 3.49Å
380	M	87.5	Confident	85.8	Confident	18 Å²	18	57.9 Å²	57.9	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-43	177.3	-70.6	-60.4	101.1	0	0	112.2	F376 V377 R382 E383 V384 S406 F627	F376-M380 HydrophobicContact CD1-CG 3.82Å; F376-M380 HydrophobicContact CE1-CG 3.55Å; F376-M380 HydrophobicContact CE1-SD 4.33Å; F376-M380 HydrophobicContact CZ-CG 4.38Å; F376-M380 WeakPolarHBondContact O-CG 3.47Å; F376-M380 PolarHBondContact O-N 3.4Å; V377-M380 PolarHBondContact O-N 2.98Å; M380-R382 VanDerWaalsContact C-N 3.3Å; M380-R382 PolarHBondContact O-N 3.37Å; M380-E383 VanDerWaalsContact CE-OE2 3.32Å; M380-E383 WeakPolarHBondContact CE-OE2 3.47Å; M380-E383 PolarHBondContact O-N 3.43Å; M380-E383 VanDerWaalsContact O-N 3.12Å; M380-V384 WeakPolarHBondContact O-CG2 3.28Å; M380-V384 PolarHBondContact O-N 3.01Å; M380-S406 PolarHBondContact SD-OG 3.5Å; M380-F627 HydrophobicContact CB-CB 4.43Å; M380-F627 HydrophobicContact CB-CD1 4.41Å; M380-F627 HydrophobicContact CB-CD2 4.18Å; M380-F627 HydrophobicContact CB-CG 4.1Å
381	A	84.3	Confident	83.7	Confident	30 Å²	30	58.5 Å²	58.5	25%	0.248	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-42.7	176	0	0	0	0	0	111.7	V377 V384 S385	V377-A381 VanDerWaalsContact O-CB 3.29Å; V377-A381 WeakPolarHBondContact O-CB 3.28Å; V377-A381 PolarHBondContact O-N 3.21Å; A381-V384 PolarHBondContact O-N 2.96Å; A381-S385 WeakPolarHBondContact O-CB 3.24Å; A381-S385 PolarHBondContact O-N 3.43Å; A381-S385 PolarHBondContact O-OG 3.37Å; A381-S385 VanDerWaalsContact O-OG 3.07Å
382	R	84.3	Confident	81.6	Confident	154 Å²	154	59.3 Å²	59.3	58%	0.581	31%	0.311	S	S	*	.	H	α-helix	trans	-62.8	-43.3	174.1	-71.7	177	-171.7	123.2	-4.2	112.3	K378 R379 M380 S385 L386	K378-R382 WeakPolarHBondContact O-CG 3.45Å; K378-R382 PolarHBondContact O-N 3.34Å; R379-R382 PolarHBondContact O-N 3.37Å; M380-R382 VanDerWaalsContact C-N 3.3Å; M380-R382 PolarHBondContact O-N 3.37Å; R382-S385 PolarHBondContact O-N 3.48Å; R382-L386 WeakPolarHBondContact O-CB 3.48Å; R382-L386 VanDerWaalsContact O-CG 3.29Å; R382-L386 WeakPolarHBondContact O-CG 3.27Å; R382-L386 PolarHBondContact O-N 2.88Å
383	E	82	Confident	79.4	Confident	57 Å²	57	62.1 Å²	62.1	27%	0.266	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-44.8	178.3	-173.4	-176.4	154.5	0	0	111.9	R379 M380 L386 K387	R379-E383 PolarHBondContact O-N 2.86Å; M380-E383 VanDerWaalsContact CE-OE2 3.32Å; M380-E383 WeakPolarHBondContact CE-OE2 3.47Å; M380-E383 PolarHBondContact O-N 3.43Å; M380-E383 VanDerWaalsContact O-N 3.12Å; E383-L386 PolarHBondContact O-N 3.34Å; E383-K387 HydrophobicContact CG-CD 4.34Å; E383-K387 PolarHBondContact O-N 3.12Å; E383-K387 VanDerWaalsContact O-N 3.14Å; E383-K387 IonicContact OE1-NZ 3.39Å; E383-K387 PolarHBondContact OE1-NZ 3.2Å
384	V	80	Confident	77.2	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.018	38%	0.383	C	S	.	.	H	α-helix	trans	-61.5	-48.6	176.5	174.3	0	0	0	0	110.2	M380 A381 L386 K387 M388 F627	M380-V384 WeakPolarHBondContact O-CG2 3.28Å; M380-V384 PolarHBondContact O-N 3.01Å; A381-V384 PolarHBondContact O-N 2.96Å; V384-L386 PolarHBondContact O-N 3.38Å; V384-K387 PolarHBondContact O-N 2.88Å; V384-M388 HydrophobicContact CG1-SD 4.41Å; V384-M388 WeakPolarHBondContact O-CG 3.43Å; V384-M388 PolarHBondContact O-N 2.87Å; V384-M388 VanDerWaalsContact O-N 3.07Å; V384-F627 HydrophobicContact CG2-CD2 4.07Å; V384-F627 HydrophobicContact CG2-CE2 4.22Å
385	S	80.3	Confident	75	Confident	54 Å²	54	76.3 Å²	76.3	38%	0.378	40%	0.403	S	S	.	.	H	α-helix	trans	-61	-39.4	178.3	-62.9	0	0	0	0	113.4	A381 R382 K387 M388	A381-S385 WeakPolarHBondContact O-CB 3.24Å; A381-S385 PolarHBondContact O-N 3.43Å; A381-S385 PolarHBondContact O-OG 3.37Å; A381-S385 VanDerWaalsContact O-OG 3.07Å; R382-S385 PolarHBondContact O-N 3.48Å; S385-K387 VanDerWaalsContact C-N 3.34Å; S385-K387 PolarHBondContact O-N 3.36Å; S385-M388 PolarHBondContact O-N 3.32Å
386	L	78.4	Confident	73.1	Confident	118 Å²	118	79.7 Å²	79.7	62%	0.618	42%	0.421	S	S	*	.	H	α-helix	trans	-65	-38.1	177.3	-74.9	171.3	0	0	0	112.2	R382 E383 V384	R382-L386 WeakPolarHBondContact O-CB 3.48Å; R382-L386 VanDerWaalsContact O-CG 3.29Å; R382-L386 WeakPolarHBondContact O-CG 3.27Å; R382-L386 PolarHBondContact O-N 2.88Å; E383-L386 PolarHBondContact O-N 3.34Å; V384-L386 PolarHBondContact O-N 3.38Å
387	K	72.7	Confident	71.1	Confident	68 Å²	68	86 Å²	86	30%	0.296	45%	0.454	S	S	.	.	H	α-helix	trans	-73.3	-30.3	178.8	-74.2	172.2	174.5	172.5	0	112.7	E383 V384 S385 N389 I390 L399	E383-K387 HydrophobicContact CG-CD 4.34Å; E383-K387 PolarHBondContact O-N 3.12Å; E383-K387 VanDerWaalsContact O-N 3.14Å; E383-K387 IonicContact OE1-NZ 3.39Å; E383-K387 PolarHBondContact OE1-NZ 3.2Å; V384-K387 PolarHBondContact O-N 2.88Å; S385-K387 VanDerWaalsContact C-N 3.34Å; S385-K387 PolarHBondContact O-N 3.36Å; K387-N389 VanDerWaalsContact C-N 3.28Å; K387-N389 PolarHBondContact O-N 3.09Å; K387-I390 PolarHBondContact O-N 3.36Å; K387-L399 HydrophobicContact CB-CD2 4.4Å; K387-L399 HydrophobicContact CD-CB 4.42Å; K387-L399 HydrophobicContact CD-CD1 3.71Å; K387-L399 HydrophobicContact CD-CD2 4.15Å; K387-L399 HydrophobicContact CD-CG 4.32Å
388	M	67.3	Low	69.4	Low	72 Å²	72	93.9 Å²	93.9	36%	0.355	49%	0.488	S	S	.	.	H	α-helix	trans	-62.4	-33.4	174.1	-70.9	-177.4	101.8	0	0	112.9	V384 S385 I390 L620	V384-M388 HydrophobicContact CG1-SD 4.41Å; V384-M388 WeakPolarHBondContact O-CG 3.43Å; V384-M388 PolarHBondContact O-N 2.87Å; V384-M388 VanDerWaalsContact O-N 3.07Å; S385-M388 PolarHBondContact O-N 3.32Å; M388-I390 VanDerWaalsContact C-N 3.28Å; M388-I390 PolarHBondContact O-N 2.96Å; M388-L620 HydrophobicContact CE-CB 3.38Å; M388-L620 HydrophobicContact CE-CD1 4.19Å; M388-L620 HydrophobicContact CE-CG 4.38Å; M388-L620 HydrophobicContact CG-CB 4.19Å; M388-L620 HydrophobicContact CG-CD1 3.92Å; M388-L620 HydrophobicContact CG-CG 4.45Å; M388-L620 HydrophobicContact SD-CB 4.1Å
389	N	66.2	Low	67.9	Low	140 Å²	140	89 Å²	89	75%	0.749	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15	179.1	-67.9	-20.1	0	0	0	113.4	K387 A391	K387-N389 VanDerWaalsContact C-N 3.28Å; K387-N389 PolarHBondContact O-N 3.09Å; N389-A391 PolarHBondContact O-N 2.87Å
390	I	64.3	Low	66.6	Low	79 Å²	79	87 Å²	87	41%	0.405	47%	0.465	S	S	.	.	S	Bend	trans	-90.5	99.3	177.2	-58.3	171.9	0	0	0	106.8	K387 M388 D392	K387-I390 PolarHBondContact O-N 3.36Å; M388-I390 VanDerWaalsContact C-N 3.28Å; M388-I390 PolarHBondContact O-N 2.96Å; I390-D392 HydrophobicContact CG2-CB 4.33Å; I390-D392 PolarHBondContact O-N 3.48Å
391	A	54.2	Low	65.2	Low	102 Å²	102	92 Å²	92	84%	0.843	49%	0.491	S	S	*	.			trans	-62.7	6.3	-174.7	0	0	0	0	0	116.1	N389 G393	N389-A391 PolarHBondContact O-N 2.87Å; A391-G393 PolarHBondContact O-N 2.7Å
392	D	53.4	Low	64.6	Low	106 Å²	106	92.7 Å²	92.7	57%	0.567	49%	0.494	S	S	*	.			trans	-84.8	100.5	179.3	-85.5	-27.1	0	0	0	111.3	I390 L394 R395	I390-D392 HydrophobicContact CG2-CB 4.33Å; I390-D392 PolarHBondContact O-N 3.48Å; D392-L394 PolarHBondContact O-N 2.78Å; D392-R395 PolarHBondContact O-N 3.26Å
393	G	52.3	Low	64.4	Low	62 Å²	62	85.5 Å²	85.5	64%	0.639	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-58.4	-5.9	175.5	0	0	0	0	0	115.9	A391 R395	A391-G393 PolarHBondContact O-N 2.7Å; G393-R395 VanDerWaalsContact C-N 3.25Å; G393-R395 PolarHBondContact O-N 3.13Å
394	L	50.2	Low	64.4	Low	170 Å²	170	84.9 Å²	84.9	89%	0.89	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-76.6	0.5	179.2	-85.3	148.4	0	0	0	114.7	D392	D392-L394 PolarHBondContact O-N 2.78Å
395	R	52.3	Low	64.7	Low	148 Å²	148	86.6 Å²	86.6	56%	0.558	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-109.4	1.6	-176	-71.3	-175.1	175.3	-168.8	0.5	116	D392 G393 D397 K398 L399	D392-R395 PolarHBondContact O-N 3.26Å; G393-R395 VanDerWaalsContact C-N 3.25Å; G393-R395 PolarHBondContact O-N 3.13Å; R395-D397 PolarHBondContact O-N 3.12Å; R395-K398 PolarHBondContact O-N 2.83Å; R395-L399 PolarHBondContact O-N 2.86Å
396	N	55.2	Low	65.3	Low	97 Å²	97	84.2 Å²	84.2	52%	0.519	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-39.8	-174.1	-82.6	-6.4	0	0	0	113.7	K398 L399 S400	N396-K398 PolarHBondContact O-N 3.27Å; N396-L399 PolarHBondContact O-N 2.69Å; N396-S400 PolarHBondContact O-N 2.65Å
397	D	53.5	Low	65.9	Low	134 Å²	134	78.8 Å²	78.8	72%	0.717	44%	0.435	S	S	*	.	H	α-helix	trans	-63.6	-43.1	-176.7	-74.4	-7.4	0	0	0	113.5	R395 L399 S400 I401	R395-D397 PolarHBondContact O-N 3.12Å; D397-L399 VanDerWaalsContact C-N 3.28Å; D397-L399 PolarHBondContact O-N 3.47Å; D397-S400 PolarHBondContact O-N 3.35Å; D397-I401 WeakPolarHBondContact O-CG1 3.24Å; D397-I401 PolarHBondContact O-N 3Å; D397-I401 VanDerWaalsContact O-N 3.14Å
398	K	57.4	Low	66.8	Low	172 Å²	172	78.2 Å²	78.2	75%	0.748	44%	0.437	S	S	*	.	H	α-helix	trans	-65.2	-34.7	178.4	-72.1	-171.6	179.8	-179.3	0	111.7	R395 N396 S402	R395-K398 PolarHBondContact O-N 2.83Å; N396-K398 PolarHBondContact O-N 3.27Å; K398-S402 WeakPolarHBondContact O-CB 3.4Å; K398-S402 PolarHBondContact O-N 3.34Å
399	L	61	Low	68.1	Low	10 Å²	10	75.8 Å²	75.8	5%	0.052	43%	0.425	C	S	.	.	H	α-helix	trans	-70	-41.9	176.5	-179.7	58.5	0	0	0	111.4	K387 R395 N396 D397 I401 S402 S403 L620 L623	K387-L399 HydrophobicContact CB-CD2 4.4Å; K387-L399 HydrophobicContact CD-CB 4.42Å; K387-L399 HydrophobicContact CD-CD1 3.71Å; K387-L399 HydrophobicContact CD-CD2 4.15Å; K387-L399 HydrophobicContact CD-CG 4.32Å; R395-L399 PolarHBondContact O-N 2.86Å; N396-L399 PolarHBondContact O-N 2.69Å; D397-L399 VanDerWaalsContact C-N 3.28Å; D397-L399 PolarHBondContact O-N 3.47Å; L399-I401 PolarHBondContact O-N 2.95Å; L399-S402 PolarHBondContact O-N 2.72Å; L399-S403 VanDerWaalsContact O-CB 3.27Å; L399-S403 WeakPolarHBondContact O-CB 3.36Å; L399-S403 PolarHBondContact O-N 3.49Å; L399-S403 PolarHBondContact O-OG 2.87Å; L399-L620 HydrophobicContact CD2-CD2 3.27Å; L399-L623 HydrophobicContact CG-CD1 4.37Å
400	S	61.2	Low	69.6	Low	34 Å²	34	69.1 Å²	69.1	24%	0.238	39%	0.389	C	S	.	.	H	α-helix	trans	-57.4	-49.5	176.4	-179.7	0	0	0	0	111.5	N396 D397 S402 S403 L404	N396-S400 PolarHBondContact O-N 2.65Å; D397-S400 PolarHBondContact O-N 3.35Å; S400-S402 PolarHBondContact O-N 2.82Å; S400-S403 WeakPolarHBondContact O-CB 3.5Å; S400-S403 PolarHBondContact O-N 3.4Å; S400-L404 WeakPolarHBondContact O-CG 3.38Å; S400-L404 PolarHBondContact O-N 3.24Å
401	I	59.1	Low	71.1	Confident	122 Å²	122	65.9 Å²	65.9	63%	0.626	37%	0.373	S	S	*	.	H	α-helix	trans	-62.7	-47.2	-179.9	-63.2	168.7	0	0	0	112	D397 L399 S403 L404 A405	D397-I401 WeakPolarHBondContact O-CG1 3.24Å; D397-I401 PolarHBondContact O-N 3Å; D397-I401 VanDerWaalsContact O-N 3.14Å; L399-I401 PolarHBondContact O-N 2.95Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.42Å; I401-L404 PolarHBondContact O-N 3.03Å; I401-A405 PolarHBondContact O-N 3.1Å; I401-A405 VanDerWaalsContact O-N 3.16Å
402	S	71	Confident	73.2	Confident	44 Å²	44	62.9 Å²	62.9	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-37.7	177.5	-170.1	0	0	0	0	111.7	K398 L399 S400 A405 S406	K398-S402 WeakPolarHBondContact O-CB 3.4Å; K398-S402 PolarHBondContact O-N 3.34Å; L399-S402 PolarHBondContact O-N 2.72Å; S400-S402 PolarHBondContact O-N 2.82Å; S402-A405 PolarHBondContact O-N 3.43Å; S402-S406 WeakPolarHBondContact O-CB 3.48Å; S402-S406 PolarHBondContact O-N 2.63Å; S402-S406 PolarHBondContact O-OG 3.4Å
403	S	80.3	Confident	75.3	Confident	4 Å²	4	57.8 Å²	57.8	3%	0.028	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-41.3	178.3	-58.3	0	0	0	0	111.6	L399 S400 I401 S406 I407 L623	L399-S403 VanDerWaalsContact O-CB 3.27Å; L399-S403 WeakPolarHBondContact O-CB 3.36Å; L399-S403 PolarHBondContact O-N 3.49Å; L399-S403 PolarHBondContact O-OG 2.87Å; S400-S403 WeakPolarHBondContact O-CB 3.5Å; S400-S403 PolarHBondContact O-N 3.4Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.42Å; S403-S406 WeakPolarHBondContact O-CB 3.5Å; S403-S406 PolarHBondContact O-N 2.95Å; S403-I407 WeakPolarHBondContact O-CB 3.25Å; S403-I407 WeakPolarHBondContact O-CG1 3.24Å; S403-I407 PolarHBondContact O-N 2.72Å; S403-L623 WeakPolarHBondContact OG-CD1 3.48Å
404	L	81.7	Confident	77.5	Confident	43 Å²	43	54.9 Å²	54.9	23%	0.225	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-42	177.2	-73.7	179	0	0	0	113.3	S400 I401 S406 I407 T408 E615 F618	S400-L404 WeakPolarHBondContact O-CG 3.38Å; S400-L404 PolarHBondContact O-N 3.24Å; I401-L404 PolarHBondContact O-N 3.03Å; L404-S406 VanDerWaalsContact C-N 3.32Å; L404-I407 HydrophobicContact CD2-CD1 4.34Å; L404-I407 PolarHBondContact O-N 2.91Å; L404-T408 WeakPolarHBondContact O-CB 3.32Å; L404-T408 PolarHBondContact O-N 3.3Å; L404-T408 PolarHBondContact O-OG1 3.42Å; L404-E615 HydrophobicContact CD2-CB 3.97Å; L404-E615 WeakPolarHBondContact CD2-O 3.43Å; L404-F618 HydrophobicContact CD2-CE2 4.09Å
405	A	87.5	Confident	79.8	Confident	39 Å²	39	46.8 Å²	46.8	32%	0.322	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-45.5	173.1	0	0	0	0	0	110.6	I401 S402 T408 H409	I401-A405 PolarHBondContact O-N 3.1Å; I401-A405 VanDerWaalsContact O-N 3.16Å; S402-A405 PolarHBondContact O-N 3.43Å; A405-T408 WeakPolarHBondContact O-CB 3.44Å; A405-T408 PolarHBondContact O-N 3.37Å; A405-T408 VanDerWaalsContact O-N 3.17Å; A405-H409 VanDerWaalsContact O-CG 3.23Å; A405-H409 PolarHBondContact O-N 3.38Å; A405-H409 PolarHBondContact O-ND1 3.45Å
406	S	91.3	Very high	82	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-43.7	178.5	-62	0	0	0	0	113	M380 S402 S403 L404 T408 H409 L410	M380-S406 PolarHBondContact SD-OG 3.5Å; S402-S406 WeakPolarHBondContact O-CB 3.48Å; S402-S406 PolarHBondContact O-N 2.63Å; S402-S406 PolarHBondContact O-OG 3.4Å; S403-S406 WeakPolarHBondContact O-CB 3.5Å; S403-S406 PolarHBondContact O-N 2.95Å; L404-S406 VanDerWaalsContact C-N 3.32Å; S406-T408 VanDerWaalsContact C-N 3.29Å; S406-T408 PolarHBondContact O-N 2.97Å; S406-H409 PolarHBondContact O-N 3.31Å; S406-L410 WeakPolarHBondContact O-CG 3.5Å; S406-L410 PolarHBondContact O-N 2.95Å
407	I	90.7	Very high	84	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-56.2	-46.8	172.4	-72.6	168.9	0	0	0	109.9	S403 L404 H409 L410 K411 W557 I589 F618 L626 F627	S403-I407 WeakPolarHBondContact O-CB 3.25Å; S403-I407 WeakPolarHBondContact O-CG1 3.24Å; S403-I407 PolarHBondContact O-N 2.72Å; L404-I407 HydrophobicContact CD2-CD1 4.34Å; L404-I407 PolarHBondContact O-N 2.91Å; I407-H409 VanDerWaalsContact C-N 3.34Å; I407-H409 PolarHBondContact O-N 3.34Å; I407-L410 PolarHBondContact O-N 3.03Å; I407-K411 HydrophobicContact CG2-CD 4.17Å; I407-K411 WeakPolarHBondContact O-CG 3.3Å; I407-K411 PolarHBondContact O-N 2.88Å; I407-W557 HydrophobicContact CG2-CZ2 4Å; I407-I589 HydrophobicContact CB-CD1 3.97Å; I407-I589 HydrophobicContact CG1-CD1 3.68Å; I407-I589 HydrophobicContact CG2-CD1 3.71Å; I407-F618 HydrophobicContact CD1-CD2 4.09Å; I407-F618 HydrophobicContact CD1-CE2 3.55Å; I407-F618 HydrophobicContact CD1-CZ 4.1Å; I407-L626 HydrophobicContact CD1-CD1 4.32Å; I407-F627 HydrophobicContact CG1-CE1 3.96Å; I407-F627 HydrophobicContact CG1-CZ 4.08Å
408	T	92.3	Very high	86	Confident	56 Å²	56	29.1 Å²	29.1	34%	0.344	16%	0.157	S	C	.	.	H	α-helix	trans	-61.6	-42.7	178.3	-60.3	0	0	0	0	111.6	L404 A405 S406 K411 K412 Y484	L404-T408 WeakPolarHBondContact O-CB 3.32Å; L404-T408 PolarHBondContact O-N 3.3Å; L404-T408 PolarHBondContact O-OG1 3.42Å; A405-T408 WeakPolarHBondContact O-CB 3.44Å; A405-T408 PolarHBondContact O-N 3.37Å; A405-T408 VanDerWaalsContact O-N 3.17Å; S406-T408 VanDerWaalsContact C-N 3.29Å; S406-T408 PolarHBondContact O-N 2.97Å; T408-K411 PolarHBondContact O-N 3.48Å; T408-K412 WeakPolarHBondContact O-CG 3.17Å; T408-K412 PolarHBondContact O-N 3.17Å; T408-Y484 HydrophobicContact CG2-CE1 4.1Å
409	H	95.5	Very high	87.9	Confident	20 Å²	20	21.4 Å²	21.4	9%	0.093	12%	0.124	C	C	.	.	H	α-helix	trans	-65.4	-42.4	177.2	-64.8	151.4	0	0	0	112.6	F376 A405 S406 I407 K412 L413 D429 F431	F376-H409 HydrophobicContact CZ-CB 4.3Å; A405-H409 VanDerWaalsContact O-CG 3.23Å; A405-H409 PolarHBondContact O-N 3.38Å; A405-H409 PolarHBondContact O-ND1 3.45Å; S406-H409 PolarHBondContact O-N 3.31Å; I407-H409 VanDerWaalsContact C-N 3.34Å; I407-H409 PolarHBondContact O-N 3.34Å; H409-K412 WeakPolarHBondContact O-CB 3.45Å; H409-K412 PolarHBondContact O-N 2.72Å; H409-L413 WeakPolarHBondContact O-CB 3.41Å; H409-L413 PolarHBondContact O-N 3.38Å; H409-D429 VanDerWaalsContact CE1-CB 3.49Å; H409-D429 WeakPolarHBondContact CE1-CB 3.39Å; H409-D429 IonicContact CE1-OD1 3.48Å; H409-F431 HydrophobicContact CB-CE2 3.75Å; H409-F431 HydrophobicContact CB-CZ 3.9Å; H409-F431 AromaticContact CG-CE2 3.94Å
410	L	96.4	Very high	89.6	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64	-40.9	176.4	-72	175.2	0	0	0	112.2	Y373 F376 V377 S406 I407 L413 C414 I589 F627	Y373-L410 HydrophobicContact CD2-CD2 3.82Å; Y373-L410 HydrophobicContact CE2-CB 3.99Å; Y373-L410 HydrophobicContact CE2-CD2 3.58Å; Y373-L410 HydrophobicContact CE2-CG 4.3Å; Y373-L410 HydrophobicContact CG-CD2 4.37Å; F376-L410 HydrophobicContact CB-CD2 4.24Å; F376-L410 HydrophobicContact CD1-CD1 4.26Å; F376-L410 HydrophobicContact CD1-CD2 3.45Å; F376-L410 VanDerWaalsContact CD1-CD2 3.45Å; F376-L410 HydrophobicContact CD1-CG 3.86Å; F376-L410 HydrophobicContact CE1-CD1 4.33Å; F376-L410 HydrophobicContact CE1-CD2 4.03Å; F376-L410 HydrophobicContact CE1-CG 3.92Å; F376-L410 HydrophobicContact CG-CD2 3.99Å; V377-L410 HydrophobicContact CG1-CD1 3.94Å; V377-L410 HydrophobicContact CG1-CD2 3.84Å; S406-L410 WeakPolarHBondContact O-CG 3.5Å; S406-L410 PolarHBondContact O-N 2.95Å; I407-L410 PolarHBondContact O-N 3.03Å; L410-L413 PolarHBondContact O-N 3.49Å; L410-C414 PolarHBondContact O-N 2.89Å; L410-C414 PolarHBondContact O-SG 2.93Å; L410-I589 HydrophobicContact CB-CG2 3.94Å; L410-F627 HydrophobicContact CD1-CD1 3.67Å; L410-F627 HydrophobicContact CD1-CE1 3.87Å
411	K	96.4	Very high	91.2	Very high	12 Å²	12	20.6 Å²	20.6	5%	0.052	12%	0.115	C	C	.	.	H	α-helix	trans	-62	-45.7	173.5	-71.3	176.8	68.4	177.2	0	111.7	I407 T408 L413 C414 N415 Y484 I589 M593	I407-K411 HydrophobicContact CG2-CD 4.17Å; I407-K411 WeakPolarHBondContact O-CG 3.3Å; I407-K411 PolarHBondContact O-N 2.88Å; T408-K411 PolarHBondContact O-N 3.48Å; K411-L413 VanDerWaalsContact C-N 3.33Å; K411-L413 PolarHBondContact O-N 3.29Å; K411-C414 WeakPolarHBondContact O-CB 3.41Å; K411-C414 PolarHBondContact O-N 2.78Å; K411-N415 PolarHBondContact O-N 3.36Å; K411-N415 VanDerWaalsContact O-N 3.14Å; K411-Y484 HydrophobicContact CB-CE2 4.32Å; K411-Y484 WeakPolarHBondContact CB-OH 3.34Å; K411-Y484 WeakPolarHBondContact CE-OH 3.46Å; K411-I589 HydrophobicContact CG-CG2 4.18Å; K411-M593 HydrophobicContact CD-CE 4.29Å; K411-M593 HydrophobicContact CD-SD 3.67Å; K411-M593 HydrophobicContact CG-SD 4.07Å
412	K	97.7	Very high	92.9	Very high	38 Å²	38	20.5 Å²	20.5	17%	0.165	11%	0.112	C	C	.	.	H	α-helix	trans	-59.1	-43.1	173.9	-79.6	-179.2	163.7	-163.1	0	112	T408 H409 C414 N415 H416 L419 V420 Y484	T408-K412 WeakPolarHBondContact O-CG 3.17Å; T408-K412 PolarHBondContact O-N 3.17Å; H409-K412 WeakPolarHBondContact O-CB 3.45Å; H409-K412 PolarHBondContact O-N 2.72Å; K412-C414 PolarHBondContact O-N 3.3Å; K412-N415 WeakPolarHBondContact O-CB 3.25Å; K412-N415 PolarHBondContact O-N 3.48Å; K412-N415 VanDerWaalsContact O-N 3.16Å; K412-H416 PolarHBondContact O-N 3Å; K412-L419 HydrophobicContact CB-CB 3.85Å; K412-L419 HydrophobicContact CB-CD1 4.48Å; K412-L419 HydrophobicContact CD-CB 4.45Å; K412-L419 HydrophobicContact CG-CB 4.24Å; K412-L419 WeakPolarHBondContact O-CD1 3.33Å; K412-V420 HydrophobicContact CB-CG1 3.84Å; K412-Y484 HydrophobicContact CG-CD1 4.23Å; K412-Y484 HydrophobicContact CG-CE1 4.08Å
413	L	98.1	Very high	94	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.5	-36.3	177.4	-179.1	60.4	0	0	0	112.5	Q369 V372 Y373 H409 L410 K411 N415 H416 P417 V420 F431	Q369-L413 HydrophobicContact CG-CD1 4.27Å; Q369-L413 PolarHBondContact NE2-O 3.03Å; V372-L413 HydrophobicContact CB-CD2 4.25Å; V372-L413 HydrophobicContact CG1-CD1 4.31Å; V372-L413 HydrophobicContact CG1-CD2 3.78Å; Y373-L413 HydrophobicContact CD2-CD2 3.9Å; Y373-L413 HydrophobicContact CD2-CG 4.29Å; Y373-L413 HydrophobicContact CG-CD2 4.28Å; H409-L413 WeakPolarHBondContact O-CB 3.41Å; H409-L413 PolarHBondContact O-N 3.38Å; L410-L413 PolarHBondContact O-N 3.49Å; K411-L413 VanDerWaalsContact C-N 3.33Å; K411-L413 PolarHBondContact O-N 3.29Å; L413-N415 VanDerWaalsContact C-N 3.27Å; L413-N415 PolarHBondContact O-N 2.81Å; L413-H416 PolarHBondContact O-N 3.49Å; L413-P417 HydrophobicContact CD1-CB 4.32Å; L413-P417 HydrophobicContact CD1-CG 4.19Å; L413-V420 HydrophobicContact CB-CG2 4.38Å; L413-V420 HydrophobicContact CD1-CG2 3.95Å; L413-F431 HydrophobicContact CD2-CE1 4.32Å
414	C	98.5	Very high	94.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.2	-40.6	172	-69.2	0	0	0	0	111.2	Q369 Y373 L410 K411 K412 K459 S585 T588 E590	Q369-C414 PolarHBondContact NE2-O 3.4Å; Y373-C414 VanDerWaalsContact CE2-SG 3.56Å; L410-C414 PolarHBondContact O-N 2.89Å; L410-C414 PolarHBondContact O-SG 2.93Å; K411-C414 WeakPolarHBondContact O-CB 3.41Å; K411-C414 PolarHBondContact O-N 2.78Å; K412-C414 PolarHBondContact O-N 3.3Å; C414-K459 VanDerWaalsContact C-CE 3.41Å; C414-K459 WeakPolarHBondContact O-CE 3.43Å; C414-S585 WeakPolarHBondContact CB-OG 3.44Å; C414-T588 PolarHBondContact SG-OG1 2.9Å; C414-E590 HydrophobicContact CB-CG 4.07Å; C414-E590 WeakPolarHBondContact CB-OE1 3.39Å
415	N	98.3	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-62.1	173.6	-79.7	7.6	0	0	0	111.4	K411 K412 L413 L419 S457 K459 F460 T487 F553 D554	K411-N415 PolarHBondContact O-N 3.36Å; K411-N415 VanDerWaalsContact O-N 3.14Å; K412-N415 WeakPolarHBondContact O-CB 3.25Å; K412-N415 PolarHBondContact O-N 3.48Å; K412-N415 VanDerWaalsContact O-N 3.16Å; L413-N415 VanDerWaalsContact C-N 3.27Å; L413-N415 PolarHBondContact O-N 2.81Å; N415-L419 HydrophobicContact CB-CD1 3.42Å; N415-L419 VanDerWaalsContact CB-CD1 3.42Å; N415-S457 WeakPolarHBondContact O-CB 3.35Å; N415-S457 PolarHBondContact O-OG 2.83Å; N415-K459 WeakPolarHBondContact OD1-CE 3.41Å; N415-K459 PolarHBondContact OD1-NZ 2.73Å; N415-F460 WeakPolarHBondContact O-CD2 3.38Å; N415-F460 WeakPolarHBondContact O-CE2 3.4Å; N415-T487 PolarHBondContact ND2-OG1 2.84Å; N415-F553 HydrophobicContact CB-CD1 4.37Å; N415-F553 HydrophobicContact CB-CE1 3.82Å; N415-D554 PolarHBondContact ND2-OD1 3.09Å; N415-D554 WeakPolarHBondContact OD1-CB 3.31Å
416	H	98.3	Very high	95.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.			trans	-165.8	142.1	178.3	-161.1	-85.8	0	0	0	112	K412 L413 D418 L419 K453 F460 L490	K412-H416 PolarHBondContact O-N 3Å; L413-H416 PolarHBondContact O-N 3.49Å; H416-D418 VanDerWaalsContact C-N 3.29Å; H416-D418 VanDerWaalsContact CE1-CG 3.47Å; H416-D418 IonicContact CE1-OD1 3.12Å; H416-D418 PolarHBondContact CE1-OD1 2.82Å; H416-D418 VanDerWaalsContact ND1-CB 3.33Å; H416-D418 WeakPolarHBondContact ND1-CB 3.02Å; H416-D418 VanDerWaalsContact ND1-CG 3.3Å; H416-D418 PolarHBondContact ND1-N 3.39Å; H416-D418 IonicContact ND1-OD1 3.2Å; H416-D418 PolarHBondContact ND1-OD1 2.88Å; H416-D418 VanDerWaalsContact ND1-OD1 3.08Å; H416-D418 PolarHBondContact O-N 2.77Å; H416-L419 HydrophobicContact CB-CD1 4.42Å; H416-L419 HydrophobicContact CB-CG 4.41Å; H416-L419 WeakPolarHBondContact O-CB 3.22Å; H416-L419 PolarHBondContact O-N 2.92Å; H416-K453 PolarHBondContact NE2-O 3.35Å; H416-F460 HydrophobicContact CB-CD2 4Å; H416-F460 HydrophobicContact CB-CE2 3.83Å; H416-F460 AromaticContact CD2-CD2 3.63Å; H416-F460 AromaticContact CD2-CG 3.81Å; H416-L490 HydrophobicContact CB-CD1 3.65Å
417	P	97.5	Very high	95.6	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-53.8	-36.4	174.5	-30.3	37.6	0	0	0	115.7	Q369 L413 L419 V420 Y421 M424 F438 L456	Q369-P417 HydrophobicContact CB-CG 3.95Å; Q369-P417 HydrophobicContact CG-CG 4.05Å; L413-P417 HydrophobicContact CD1-CB 4.32Å; L413-P417 HydrophobicContact CD1-CG 4.19Å; P417-L419 PolarHBondContact O-N 3.12Å; P417-L419 VanDerWaalsContact O-N 3.07Å; P417-V420 CarbonylContact O-C 3.57Å; P417-V420 VanDerWaalsContact O-CG2 3.27Å; P417-V420 WeakPolarHBondContact O-CG2 3.47Å; P417-V420 PolarHBondContact O-N 3.06Å; P417-Y421 PolarHBondContact O-N 3.32Å; P417-M424 HydrophobicContact CB-CE 4.3Å; P417-M424 WeakPolarHBondContact O-CE 3.32Å; P417-F438 HydrophobicContact CB-CE1 3.86Å; P417-F438 HydrophobicContact CB-CZ 3.55Å; P417-F438 HydrophobicContact CG-CE1 4.04Å; P417-F438 HydrophobicContact CG-CZ 3.9Å; P417-L456 WeakPolarHBondContact CD-O 3.1Å; P417-L456 HydrophobicContact CG-CB 4.42Å; P417-L456 WeakPolarHBondContact CG-O 3.29Å
418	D	96.5	Very high	95.6	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-48.7	-32.7	172.9	-74.1	32.2	0	0	0	114.3	H416 V420 Y421 Y442 S445 L446 L490	H416-D418 VanDerWaalsContact C-N 3.29Å; H416-D418 VanDerWaalsContact CE1-CG 3.47Å; H416-D418 IonicContact CE1-OD1 3.12Å; H416-D418 PolarHBondContact CE1-OD1 2.82Å; H416-D418 VanDerWaalsContact ND1-CB 3.33Å; H416-D418 WeakPolarHBondContact ND1-CB 3.02Å; H416-D418 VanDerWaalsContact ND1-CG 3.3Å; H416-D418 PolarHBondContact ND1-N 3.39Å; H416-D418 IonicContact ND1-OD1 3.2Å; H416-D418 PolarHBondContact ND1-OD1 2.88Å; H416-D418 VanDerWaalsContact ND1-OD1 3.08Å; H416-D418 PolarHBondContact O-N 2.77Å; D418-V420 PolarHBondContact O-N 3.29Å; D418-Y421 WeakPolarHBondContact O-CB 3.47Å; D418-Y421 PolarHBondContact O-N 2.78Å; D418-Y442 PolarHBondContact N-OH 3.17Å; D418-Y442 PolarHBondContact OD1-OH 3.5Å; D418-S445 WeakPolarHBondContact OD2-CA 3.48Å; D418-S445 WeakPolarHBondContact OD2-CB 3.4Å; D418-S445 PolarHBondContact OD2-N 2.94Å; D418-S445 PolarHBondContact OD2-OG 3.38Å; D418-L446 HydrophobicContact CB-CD1 4.34Å; D418-L490 HydrophobicContact CB-CD1 4.23Å; D418-L490 HydrophobicContact CB-CD2 4.09Å
419	L	96.8	Very high	95.5	Very high	10 Å²	10	29 Å²	29	5%	0.052	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.7	-12.6	-177.5	-62.8	173.1	0	0	0	113.4	K412 N415 H416 P417 L446 Q486 L490	K412-L419 HydrophobicContact CB-CB 3.85Å; K412-L419 HydrophobicContact CB-CD1 4.48Å; K412-L419 HydrophobicContact CD-CB 4.45Å; K412-L419 HydrophobicContact CG-CB 4.24Å; K412-L419 WeakPolarHBondContact O-CD1 3.33Å; N415-L419 HydrophobicContact CB-CD1 3.42Å; N415-L419 VanDerWaalsContact CB-CD1 3.42Å; H416-L419 HydrophobicContact CB-CD1 4.42Å; H416-L419 HydrophobicContact CB-CG 4.41Å; H416-L419 WeakPolarHBondContact O-CB 3.22Å; H416-L419 PolarHBondContact O-N 2.92Å; P417-L419 PolarHBondContact O-N 3.12Å; P417-L419 VanDerWaalsContact O-N 3.07Å; L419-L446 HydrophobicContact CD2-CD1 3.74Å; L419-Q486 HydrophobicContact CD2-CB 3.39Å; L419-L490 HydrophobicContact CD1-CD1 4.34Å; L419-L490 HydrophobicContact CD2-CD1 3.84Å; L419-L490 HydrophobicContact CD2-CG 4.43Å; L419-L490 HydrophobicContact CG-CD1 3.84Å
420	V	95.9	Very high	95.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-123.2	9.9	175.7	-61.6	0	0	0	0	112.2	K412 L413 P417 D418 E422 K423 M424 F431	K412-V420 HydrophobicContact CB-CG1 3.84Å; L413-V420 HydrophobicContact CB-CG2 4.38Å; L413-V420 HydrophobicContact CD1-CG2 3.95Å; P417-V420 CarbonylContact O-C 3.57Å; P417-V420 VanDerWaalsContact O-CG2 3.27Å; P417-V420 WeakPolarHBondContact O-CG2 3.47Å; P417-V420 PolarHBondContact O-N 3.06Å; D418-V420 PolarHBondContact O-N 3.29Å; V420-E422 PolarHBondContact O-N 2.84Å; V420-K423 WeakPolarHBondContact O-CB 3.38Å; V420-K423 PolarHBondContact O-N 2.79Å; V420-M424 HydrophobicContact CG2-CE 4.19Å; V420-M424 HydrophobicContact CG2-CG 4.35Å; V420-M424 HydrophobicContact CG2-SD 4.3Å; V420-M424 WeakPolarHBondContact O-CG 3.44Å; V420-M424 PolarHBondContact O-N 2.91Å; V420-F431 HydrophobicContact CB-CE1 4.19Å; V420-F431 HydrophobicContact CB-CE2 4Å; V420-F431 HydrophobicContact CB-CZ 3.72Å; V420-F431 HydrophobicContact CG1-CE2 4.11Å; V420-F431 HydrophobicContact CG1-CZ 3.76Å; V420-F431 HydrophobicContact CG2-CE1 3.88Å; V420-F431 HydrophobicContact CG2-CZ 3.88Å
421	Y	95.3	Very high	94.9	Very high	27 Å²	27	28.7 Å²	28.7	11%	0.106	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-43.5	-176.2	179.9	-91.6	0	0	0	113.2	P417 D418 K423 M424 T425 L435 Y442 G444 E447	P417-Y421 PolarHBondContact O-N 3.32Å; D418-Y421 WeakPolarHBondContact O-CB 3.47Å; D418-Y421 PolarHBondContact O-N 2.78Å; Y421-K423 PolarHBondContact O-N 3.2Å; Y421-M424 HydrophobicContact CD2-CE 4.25Å; Y421-M424 PolarHBondContact O-N 3.47Å; Y421-T425 WeakPolarHBondContact CE1-OG1 3.37Å; Y421-T425 PolarHBondContact O-N 2.86Å; Y421-T425 PolarHBondContact O-OG1 3.25Å; Y421-L435 HydrophobicContact CD2-CD2 4.01Å; Y421-L435 HydrophobicContact CE2-CD2 3.78Å; Y421-Y442 HydrophobicContact CD2-CD1 4.1Å; Y421-Y442 AromaticContact CD2-CE1 3.52Å; Y421-Y442 HydrophobicContact CD2-CE1 3.52Å; Y421-Y442 AromaticContact CD2-CZ 3.99Å; Y421-Y442 AromaticContact CE2-CD1 3.86Å; Y421-Y442 HydrophobicContact CE2-CD1 3.86Å; Y421-Y442 AromaticContact CE2-CE1 3.78Å; Y421-Y442 HydrophobicContact CE2-CE1 3.78Å; Y421-Y442 PolarHBondContact OH-O 3.42Å; Y421-G444 VanDerWaalsContact CE2-N 3.35Å; Y421-E447 HydrophobicContact CD1-CG 4.48Å; Y421-E447 WeakPolarHBondContact CD1-OE2 3.36Å; Y421-E447 VanDerWaalsContact CE1-OE2 3.31Å; Y421-E447 WeakPolarHBondContact CE1-OE2 3.44Å
422	E	94	Very high	94.6	Very high	120 Å²	120	32.4 Å²	32.4	56%	0.561	18%	0.175	S	C	*	.	H	α-helix	trans	-52.7	-44.7	174.3	-168.1	-167.3	151.3	0	0	111.4	V420 T425 A426 E447	V420-E422 PolarHBondContact O-N 2.84Å; E422-T425 PolarHBondContact O-N 3.01Å; E422-A426 VanDerWaalsContact O-CB 3.31Å; E422-A426 WeakPolarHBondContact O-CB 3.36Å; E422-A426 PolarHBondContact O-N 3.41Å; E422-E447 WeakPolarHBondContact CA-OE1 3.33Å; E422-E447 WeakPolarHBondContact CB-OE1 3.32Å; E422-E447 PolarHBondContact N-OE1 3.05Å
423	K	94.7	Very high	94.3	Very high	56 Å²	56	35.6 Å²	35.6	24%	0.243	19%	0.194	C	C	.	.	H	α-helix	trans	-71.3	-37.7	-178.1	-56.3	-51.5	-161.9	161.8	0	112.3	V420 Y421 T425 N427 T428 D429 F431	V420-K423 WeakPolarHBondContact O-CB 3.38Å; V420-K423 PolarHBondContact O-N 2.79Å; Y421-K423 PolarHBondContact O-N 3.2Å; K423-T425 VanDerWaalsContact C-N 3.34Å; K423-N427 PolarHBondContact O-N 2.94Å; K423-T428 PolarHBondContact O-N 3.39Å; K423-T428 VanDerWaalsContact O-N 3.15Å; K423-D429 HydrophobicContact CD-CB 4.46Å; K423-D429 VanDerWaalsContact CD-OD2 3.27Å; K423-D429 WeakPolarHBondContact CD-OD2 3.45Å; K423-D429 VanDerWaalsContact CE-OD2 3.28Å; K423-D429 WeakPolarHBondContact CE-OD2 3.37Å; K423-D429 IonicContact NZ-OD1 3.41Å; K423-D429 IonicContact NZ-OD2 2.86Å; K423-D429 PolarHBondContact NZ-OD2 3.31Å; K423-F431 HydrophobicContact CB-CD2 3.58Å; K423-F431 HydrophobicContact CB-CE2 4.13Å; K423-F431 HydrophobicContact CB-CG 4.31Å
424	M	94.7	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-40.4	173.6	-61.2	-169.4	-71.6	0	0	111.3	V372 P417 V420 Y421 N427 F431 A434 L435 F438 Y442	V372-M424 HydrophobicContact CG1-SD 4.2Å; V372-M424 HydrophobicContact CG2-SD 4.36Å; P417-M424 HydrophobicContact CB-CE 4.3Å; P417-M424 WeakPolarHBondContact O-CE 3.32Å; V420-M424 HydrophobicContact CG2-CE 4.19Å; V420-M424 HydrophobicContact CG2-CG 4.35Å; V420-M424 HydrophobicContact CG2-SD 4.3Å; V420-M424 WeakPolarHBondContact O-CG 3.44Å; V420-M424 PolarHBondContact O-N 2.91Å; Y421-M424 HydrophobicContact CD2-CE 4.25Å; Y421-M424 PolarHBondContact O-N 3.47Å; M424-N427 PolarHBondContact O-N 2.91Å; M424-F431 HydrophobicContact CB-CB 4.48Å; M424-F431 HydrophobicContact CG-CB 4.03Å; M424-F431 HydrophobicContact CG-CD1 3.8Å; M424-F431 HydrophobicContact CG-CG 4.03Å; M424-A434 HydrophobicContact CB-CB 4.09Å; M424-A434 HydrophobicContact CG-CB 3.72Å; M424-A434 HydrophobicContact SD-CB 3.9Å; M424-L435 HydrophobicContact CB-CD2 3.84Å; M424-L435 HydrophobicContact CB-CG 3.79Å; M424-L435 HydrophobicContact CE-CD2 4.25Å; M424-F438 HydrophobicContact CE-CE2 3.93Å; M424-F438 HydrophobicContact CE-CZ 4.28Å; M424-F438 HydrophobicContact SD-CE2 3.71Å; M424-F438 HydrophobicContact SD-CZ 4.41Å; M424-Y442 HydrophobicContact CE-CE1 4.28Å
425	T	92.8	Very high	93.9	Very high	64 Å²	64	38.2 Å²	38.2	39%	0.393	21%	0.208	S	C	.	.	H	α-helix	trans	-67.5	-46.2	177.3	-54.5	0	0	0	0	111.4	Y421 E422 K423 N427	Y421-T425 WeakPolarHBondContact CE1-OG1 3.37Å; Y421-T425 PolarHBondContact O-N 2.86Å; Y421-T425 PolarHBondContact O-OG1 3.25Å; E422-T425 PolarHBondContact O-N 3.01Å; K423-T425 VanDerWaalsContact C-N 3.34Å; T425-N427 PolarHBondContact O-N 2.65Å; T425-N427 PolarHBondContact O-ND2 2.98Å
426	A	94.3	Very high	93.7	Very high	59 Å²	59	41.5 Å²	41.5	49%	0.488	23%	0.231	S	C	.	.	H	α-helix	trans	-71.7	-11.2	177.9	0	0	0	0	0	113.4	E422 T428	E422-A426 VanDerWaalsContact O-CB 3.31Å; E422-A426 WeakPolarHBondContact O-CB 3.36Å; E422-A426 PolarHBondContact O-N 3.41Å; A426-T428 HydrophobicContact CB-CG2 3.86Å; A426-T428 WeakPolarHBondContact O-CG2 3.47Å; A426-T428 PolarHBondContact O-N 3.11Å
427	N	93	Very high	93.5	Very high	73 Å²	73	45.6 Å²	45.6	39%	0.39	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.2	-172.9	-72.2	-89.4	0	0	0	112.7	K423 M424 T425 H432 N433	K423-N427 PolarHBondContact O-N 2.94Å; M424-N427 PolarHBondContact O-N 2.91Å; T425-N427 PolarHBondContact O-N 2.65Å; T425-N427 PolarHBondContact O-ND2 2.98Å; N427-H432 PolarHBondContact O-CE1 2.84Å; N427-H432 VanDerWaalsContact O-CE1 3.24Å; N427-H432 PolarHBondContact O-ND1 2.79Å; N427-N433 PolarHBondContact OD1-N 3.12Å
428	T	91.7	Very high	93.4	Very high	53 Å²	53	46.3 Å²	46.3	33%	0.325	25%	0.25	S	S	.	.			trans	-112.7	174.4	-178.8	65.8	0	0	0	0	111.9	K423 A426 G430 F431	K423-T428 PolarHBondContact O-N 3.39Å; K423-T428 VanDerWaalsContact O-N 3.15Å; A426-T428 HydrophobicContact CB-CG2 3.86Å; A426-T428 WeakPolarHBondContact O-CG2 3.47Å; A426-T428 PolarHBondContact O-N 3.11Å; T428-G430 PolarHBondContact O-N 3.39Å; T428-F431 PolarHBondContact O-N 2.9Å
429	D	89	Confident	93	Very high	69 Å²	69	49.5 Å²	49.5	37%	0.369	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	25.8	169.3	-58.7	-91.3	0	0	0	114.9	F376 H409 K423	F376-D429 WeakPolarHBondContact CE2-O 2.88Å; F376-D429 WeakPolarHBondContact CZ-O 3.1Å; H409-D429 VanDerWaalsContact CE1-CB 3.49Å; H409-D429 WeakPolarHBondContact CE1-CB 3.39Å; H409-D429 IonicContact CE1-OD1 3.48Å; K423-D429 HydrophobicContact CD-CB 4.46Å; K423-D429 VanDerWaalsContact CD-OD2 3.27Å; K423-D429 WeakPolarHBondContact CD-OD2 3.45Å; K423-D429 VanDerWaalsContact CE-OD2 3.28Å; K423-D429 WeakPolarHBondContact CE-OD2 3.37Å; K423-D429 IonicContact NZ-OD1 3.41Å; K423-D429 IonicContact NZ-OD2 2.86Å; K423-D429 PolarHBondContact NZ-OD2 3.31Å
430	G	86.7	Confident	92.4	Very high	11 Å²	11	54.7 Å²	54.7	11%	0.113	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	-7.8	-179.1	0	0	0	0	0	115.3	T428 H432	T428-G430 PolarHBondContact O-N 3.39Å; G430-H432 VanDerWaalsContact C-N 3.28Å; G430-H432 PolarHBondContact O-N 3.18Å; G430-H432 VanDerWaalsContact O-N 3.16Å
431	F	92.4	Very high	91.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.009	35%	0.346	C	S	.	.			trans	-87.7	38.5	-176.7	-69.6	-78	0	0	0	114.6	V372 F376 H409 L413 V420 K423 M424 T428 N433 A434	V372-F431 HydrophobicContact CG1-CD1 3.88Å; V372-F431 HydrophobicContact CG1-CE1 3.85Å; F376-F431 AromaticContact CD2-CD1 3.82Å; F376-F431 HydrophobicContact CD2-CD1 3.82Å; F376-F431 HydrophobicContact CD2-CD2 4.24Å; F376-F431 AromaticContact CD2-CE1 3.61Å; F376-F431 HydrophobicContact CD2-CE1 3.61Å; F376-F431 HydrophobicContact CD2-CE2 4.07Å; F376-F431 HydrophobicContact CD2-CG 4.13Å; F376-F431 AromaticContact CD2-CZ 3.75Å; F376-F431 HydrophobicContact CD2-CZ 3.75Å; F376-F431 HydrophobicContact CE2-CD1 4.23Å; F376-F431 AromaticContact CE2-CD2 3.81Å; F376-F431 HydrophobicContact CE2-CD2 3.81Å; F376-F431 AromaticContact CE2-CE1 3.98Å; F376-F431 HydrophobicContact CE2-CE1 3.98Å; F376-F431 AromaticContact CE2-CE2 3.55Å; F376-F431 HydrophobicContact CE2-CE2 3.55Å; F376-F431 HydrophobicContact CE2-CG 4.15Å; F376-F431 AromaticContact CE2-CZ 3.64Å; F376-F431 HydrophobicContact CE2-CZ 3.64Å; F376-F431 HydrophobicContact CZ-CE2 4.44Å; H409-F431 HydrophobicContact CB-CE2 3.75Å; H409-F431 HydrophobicContact CB-CZ 3.9Å; H409-F431 AromaticContact CG-CE2 3.94Å; L413-F431 HydrophobicContact CD2-CE1 4.32Å; V420-F431 HydrophobicContact CB-CE1 4.19Å; V420-F431 HydrophobicContact CB-CE2 4Å; V420-F431 HydrophobicContact CB-CZ 3.72Å; V420-F431 HydrophobicContact CG1-CE2 4.11Å; V420-F431 HydrophobicContact CG1-CZ 3.76Å; V420-F431 HydrophobicContact CG2-CE1 3.88Å; V420-F431 HydrophobicContact CG2-CZ 3.88Å; K423-F431 HydrophobicContact CB-CD2 3.58Å; K423-F431 HydrophobicContact CB-CE2 4.13Å; K423-F431 HydrophobicContact CB-CG 4.31Å; M424-F431 HydrophobicContact CB-CB 4.48Å; M424-F431 HydrophobicContact CG-CB 4.03Å; M424-F431 HydrophobicContact CG-CD1 3.8Å; M424-F431 HydrophobicContact CG-CG 4.03Å; T428-F431 PolarHBondContact O-N 2.9Å; F431-N433 PolarHBondContact O-N 2.95Å; F431-A434 HydrophobicContact CB-CB 4.04Å; F431-A434 HydrophobicContact CD1-CB 4.14Å; F431-A434 WeakPolarHBondContact O-CB 3.46Å; F431-A434 PolarHBondContact O-N 2.94Å
432	H	89.6	Confident	91.6	Very high	90 Å²	90	59.7 Å²	59.7	42%	0.417	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	127.8	-177.8	-48.2	-75	0	0	0	111.8	R379 N427 G430 A434	R379-H432 PolarHBondContact NH2-O 3.49Å; N427-H432 PolarHBondContact O-CE1 2.84Å; N427-H432 VanDerWaalsContact O-CE1 3.24Å; N427-H432 PolarHBondContact O-ND1 2.79Å; G430-H432 VanDerWaalsContact C-N 3.28Å; G430-H432 PolarHBondContact O-N 3.18Å; G430-H432 VanDerWaalsContact O-N 3.16Å; H432-A434 PolarHBondContact O-N 3.41Å
433	N	91.7	Very high	91.3	Very high	105 Å²	105	59.6 Å²	59.6	56%	0.561	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	18.7	-177.3	-151.4	29.9	0	0	0	114.1	N427 F431 L435 S436	N427-N433 PolarHBondContact OD1-N 3.12Å; F431-N433 PolarHBondContact O-N 2.95Å; N433-L435 VanDerWaalsContact C-N 3.34Å; N433-L435 PolarHBondContact O-N 2.53Å; N433-S436 WeakPolarHBondContact O-CB 3.46Å; N433-S436 PolarHBondContact O-N 2.84Å; N433-S436 PolarHBondContact O-OG 2.74Å
434	A	94.2	Very high	91	Very high	2 Å²	2	57 Å²	57	2%	0.017	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-67	-32	-176.4	0	0	0	0	0	113.2	V372 M424 F431 H432 S436 Y437	V372-A434 HydrophobicContact CG1-CB 4.05Å; V372-A434 HydrophobicContact CG2-CB 4.29Å; M424-A434 HydrophobicContact CB-CB 4.09Å; M424-A434 HydrophobicContact CG-CB 3.72Å; M424-A434 HydrophobicContact SD-CB 3.9Å; F431-A434 HydrophobicContact CB-CB 4.04Å; F431-A434 HydrophobicContact CD1-CB 4.14Å; F431-A434 WeakPolarHBondContact O-CB 3.46Å; F431-A434 PolarHBondContact O-N 2.94Å; H432-A434 PolarHBondContact O-N 3.41Å; A434-S436 PolarHBondContact O-N 3.18Å; A434-Y437 WeakPolarHBondContact O-CD2 3.31Å; A434-Y437 PolarHBondContact O-N 2.95Å
435	L	93.6	Very high	90.7	Very high	52 Å²	52	57 Å²	57	27%	0.272	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.3	-22	175.9	-76.2	-177.4	0	0	0	113.3	Y421 M424 N433 Y437 F438 Y442	Y421-L435 HydrophobicContact CD2-CD2 4.01Å; Y421-L435 HydrophobicContact CE2-CD2 3.78Å; M424-L435 HydrophobicContact CB-CD2 3.84Å; M424-L435 HydrophobicContact CB-CG 3.79Å; M424-L435 HydrophobicContact CE-CD2 4.25Å; N433-L435 VanDerWaalsContact C-N 3.34Å; N433-L435 PolarHBondContact O-N 2.53Å; L435-Y437 PolarHBondContact O-N 3.27Å; L435-Y437 VanDerWaalsContact O-N 3.16Å; L435-F438 HydrophobicContact CD2-CD2 4.48Å; L435-F438 PolarHBondContact O-N 2.82Å; L435-Y442 HydrophobicContact CD2-CD1 4.17Å; L435-Y442 HydrophobicContact CD2-CE1 4.34Å
436	S	94.7	Very high	90.6	Very high	69 Å²	69	56 Å²	56	48%	0.483	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-63.6	-19.7	179.3	70.3	0	0	0	0	113.7	N433 A434 F438	N433-S436 WeakPolarHBondContact O-CB 3.46Å; N433-S436 PolarHBondContact O-N 2.84Å; N433-S436 PolarHBondContact O-OG 2.74Å; A434-S436 PolarHBondContact O-N 3.18Å; S436-F438 VanDerWaalsContact C-N 3.31Å
437	Y	95.2	Very high	89.9	Confident	87 Å²	87	58.5 Å²	58.5	34%	0.341	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-79.5	-12.1	174.8	-62.6	-67.8	0	0	0	113.4	S368 E371 V372 D375 A434 L435	S368-Y437 VanDerWaalsContact CB-O 3.24Å; S368-Y437 WeakPolarHBondContact CB-O 3.46Å; S368-Y437 PolarHBondContact OG-O 3.19Å; E371-Y437 HydrophobicContact CB-CD1 3.49Å; E371-Y437 VanDerWaalsContact CB-CD1 3.49Å; E371-Y437 HydrophobicContact CB-CD2 4.28Å; E371-Y437 HydrophobicContact CB-CE1 3.84Å; E371-Y437 HydrophobicContact CB-CG 3.74Å; E371-Y437 HydrophobicContact CG-CD1 4.08Å; E371-Y437 HydrophobicContact CG-CE1 4.47Å; V372-Y437 HydrophobicContact CG2-CD2 3.82Å; V372-Y437 HydrophobicContact CG2-CG 4.39Å; D375-Y437 HydrophobicContact CB-CE2 4.27Å; A434-Y437 WeakPolarHBondContact O-CD2 3.31Å; A434-Y437 PolarHBondContact O-N 2.95Å; L435-Y437 PolarHBondContact O-N 3.27Å; L435-Y437 VanDerWaalsContact O-N 3.16Å
438	F	94.4	Very high	89.3	Confident	14 Å²	14	56.2 Å²	56.2	6%	0.061	32%	0.315	C	S	.	.	S	Bend	trans	-100.7	159.4	179.3	-66	-90.1	0	0	0	111.3	S368 V372 P417 M424 L435 S436 Y442 L456	S368-F438 VanDerWaalsContact CB-CE1 3.41Å; V372-F438 HydrophobicContact CG2-CE2 3.62Å; V372-F438 HydrophobicContact CG2-CZ 4.15Å; P417-F438 HydrophobicContact CB-CE1 3.86Å; P417-F438 HydrophobicContact CB-CZ 3.55Å; P417-F438 HydrophobicContact CG-CE1 4.04Å; P417-F438 HydrophobicContact CG-CZ 3.9Å; M424-F438 HydrophobicContact CE-CE2 3.93Å; M424-F438 HydrophobicContact CE-CZ 4.28Å; M424-F438 HydrophobicContact SD-CE2 3.71Å; M424-F438 HydrophobicContact SD-CZ 4.41Å; L435-F438 HydrophobicContact CD2-CD2 4.48Å; L435-F438 PolarHBondContact O-N 2.82Å; S436-F438 VanDerWaalsContact C-N 3.31Å; F438-Y442 HydrophobicContact CB-CD1 3.48Å; F438-Y442 VanDerWaalsContact CB-CD1 3.48Å; F438-Y442 HydrophobicContact CB-CE1 4.25Å; F438-Y442 HydrophobicContact CB-CG 3.87Å; F438-Y442 AromaticContact CD1-CD1 3.59Å; F438-Y442 HydrophobicContact CD1-CD1 3.59Å; F438-Y442 HydrophobicContact CD1-CD2 4.44Å; F438-Y442 AromaticContact CD1-CE1 3.56Å; F438-Y442 HydrophobicContact CD1-CE1 3.56Å; F438-Y442 HydrophobicContact CD1-CE2 4.45Å; F438-Y442 HydrophobicContact CD1-CG 4.03Å; F438-Y442 HydrophobicContact CD2-CD1 4.05Å; F438-Y442 HydrophobicContact CD2-CE1 4.04Å; F438-Y442 HydrophobicContact CE1-CD1 4.36Å; F438-Y442 AromaticContact CE1-CE1 3.86Å; F438-Y442 HydrophobicContact CE1-CE1 3.86Å; F438-Y442 HydrophobicContact CE2-CE1 4.28Å; F438-Y442 AromaticContact CG-CD1 3.43Å; F438-Y442 HydrophobicContact CG-CD1 3.43Å; F438-Y442 VanDerWaalsContact CG-CD1 3.43Å; F438-Y442 AromaticContact CG-CE1 3.68Å; F438-Y442 HydrophobicContact CG-CE1 3.68Å; F438-Y442 HydrophobicContact CG-CG 4.11Å; F438-Y442 HydrophobicContact CZ-CE1 4.23Å; F438-L456 HydrophobicContact CD1-CD2 4.49Å; F438-L456 HydrophobicContact CE1-CD1 4.44Å; F438-L456 HydrophobicContact CE1-CD2 4.49Å
439	P	88.2	Confident	88.6	Confident	76 Å²	76	62 Å²	62	49%	0.494	34%	0.344	S	S	.	.			trans	-53.8	144.3	169.7	-25.2	34.7	0	0	0	111.8	N441 Y442	P439-N441 WeakPolarHBondContact CB-OD1 3.34Å; P439-N441 PolarHBondContact O-N 3.34Å; P439-Y442 WeakPolarHBondContact O-CB 3.34Å; P439-Y442 PolarHBondContact O-N 2.59Å
440	A	85.1	Confident	88.5	Confident	118 Å²	118	60.4 Å²	60.4	98%	0.975	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22	-174.7	0	0	0	0	0	114.6
441	N	85.3	Confident	88.6	Confident	121 Å²	121	62.5 Å²	62.5	65%	0.647	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	9.3	177.5	67.2	-18.8	0	0	0	113.5	P439 Q443	P439-N441 WeakPolarHBondContact CB-OD1 3.34Å; P439-N441 PolarHBondContact O-N 3.34Å; N441-Q443 PolarHBondContact O-N 3.37Å
442	Y	89.1	Confident	88.7	Confident	13 Å²	13	62.4 Å²	62.4	5%	0.051	35%	0.353	C	S	.	.			trans	-65.3	126.4	177.9	172.9	-122.9	0	0	0	110.6	D418 Y421 M424 L435 F438 P439 L456	D418-Y442 PolarHBondContact N-OH 3.17Å; D418-Y442 PolarHBondContact OD1-OH 3.5Å; Y421-Y442 HydrophobicContact CD2-CD1 4.1Å; Y421-Y442 AromaticContact CD2-CE1 3.52Å; Y421-Y442 HydrophobicContact CD2-CE1 3.52Å; Y421-Y442 AromaticContact CD2-CZ 3.99Å; Y421-Y442 AromaticContact CE2-CD1 3.86Å; Y421-Y442 HydrophobicContact CE2-CD1 3.86Å; Y421-Y442 AromaticContact CE2-CE1 3.78Å; Y421-Y442 HydrophobicContact CE2-CE1 3.78Å; Y421-Y442 PolarHBondContact OH-O 3.42Å; M424-Y442 HydrophobicContact CE-CE1 4.28Å; L435-Y442 HydrophobicContact CD2-CD1 4.17Å; L435-Y442 HydrophobicContact CD2-CE1 4.34Å; F438-Y442 HydrophobicContact CB-CD1 3.48Å; F438-Y442 VanDerWaalsContact CB-CD1 3.48Å; F438-Y442 HydrophobicContact CB-CE1 4.25Å; F438-Y442 HydrophobicContact CB-CG 3.87Å; F438-Y442 AromaticContact CD1-CD1 3.59Å; F438-Y442 HydrophobicContact CD1-CD1 3.59Å; F438-Y442 HydrophobicContact CD1-CD2 4.44Å; F438-Y442 AromaticContact CD1-CE1 3.56Å; F438-Y442 HydrophobicContact CD1-CE1 3.56Å; F438-Y442 HydrophobicContact CD1-CE2 4.45Å; F438-Y442 HydrophobicContact CD1-CG 4.03Å; F438-Y442 HydrophobicContact CD2-CD1 4.05Å; F438-Y442 HydrophobicContact CD2-CE1 4.04Å; F438-Y442 HydrophobicContact CE1-CD1 4.36Å; F438-Y442 AromaticContact CE1-CE1 3.86Å; F438-Y442 HydrophobicContact CE1-CE1 3.86Å; F438-Y442 HydrophobicContact CE2-CE1 4.28Å; F438-Y442 AromaticContact CG-CD1 3.43Å; F438-Y442 HydrophobicContact CG-CD1 3.43Å; F438-Y442 VanDerWaalsContact CG-CD1 3.43Å; F438-Y442 AromaticContact CG-CE1 3.68Å; F438-Y442 HydrophobicContact CG-CE1 3.68Å; F438-Y442 HydrophobicContact CG-CG 4.11Å; F438-Y442 HydrophobicContact CZ-CE1 4.23Å; P439-Y442 WeakPolarHBondContact O-CB 3.34Å; P439-Y442 PolarHBondContact O-N 2.59Å; Y442-L456 HydrophobicContact CD2-CD1 3.81Å; Y442-L456 HydrophobicContact CE2-CD1 3.27Å
443	Q	87.8	Confident	88.9	Confident	117 Å²	117	61.3 Å²	61.3	55%	0.547	35%	0.347	S	S	.	.			trans	-127.8	133.5	175.8	-66.5	-180	-12.1	0	0	108.2	N441 S445	N441-Q443 PolarHBondContact O-N 3.37Å; Q443-S445 PolarHBondContact O-N 3.06Å
444	G	87.8	Confident	89.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.01	32%	0.32	C	S	.	.			trans	-66.1	129.8	176.5	0	0	0	0	0	110.8	Y421 L446 E447 S448	Y421-G444 VanDerWaalsContact CE2-N 3.35Å; G444-L446 PolarHBondContact O-N 3.41Å; G444-E447 PolarHBondContact O-N 2.97Å; G444-S448 PolarHBondContact O-N 3.21Å; G444-S448 PolarHBondContact O-OG 3.43Å
445	S	89.1	Confident	89.2	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.007	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.8	179.9	71.5	0	0	0	0	112.7	D418 Q443 S448 A450 L490 R493	D418-S445 WeakPolarHBondContact OD2-CA 3.48Å; D418-S445 WeakPolarHBondContact OD2-CB 3.4Å; D418-S445 PolarHBondContact OD2-N 2.94Å; D418-S445 PolarHBondContact OD2-OG 3.38Å; Q443-S445 PolarHBondContact O-N 3.06Å; S445-S448 CarbonylContact C-O 3.48Å; S445-S448 VanDerWaalsContact C-O 3.25Å; S445-A450 WeakPolarHBondContact CB-O 3.38Å; S445-L490 VanDerWaalsContact OG-CD2 3.25Å; S445-L490 WeakPolarHBondContact OG-CD2 3.11Å; S445-R493 VanDerWaalsContact C-CZ 3.49Å; S445-R493 VanDerWaalsContact C-NH1 3.29Å; S445-R493 PolarHBondContact O-NE 2.85Å; S445-R493 PolarHBondContact O-NH1 3.47Å; S445-R493 PolarHBondContact O-NH2 2.97Å; S445-R493 PolarHBondContact OG-NH1 3.39Å
446	L	89.1	Confident	89.3	Confident	42 Å²	42	57.3 Å²	57.3	22%	0.22	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-33.7	176.4	-74	164.3	0	0	0	113.2	D418 L419 G444 Q486 D489 L490 R493	D418-L446 HydrophobicContact CB-CD1 4.34Å; L419-L446 HydrophobicContact CD2-CD1 3.74Å; G444-L446 PolarHBondContact O-N 3.41Å; L446-Q486 HydrophobicContact CD1-CB 4.36Å; L446-D489 HydrophobicContact CD2-CB 3.64Å; L446-L490 HydrophobicContact CD1-CD2 4.12Å; L446-L490 HydrophobicContact CD1-CG 4.31Å; L446-L490 HydrophobicContact CD2-CD2 4.16Å; L446-L490 HydrophobicContact CD2-CG 4.5Å; L446-L490 HydrophobicContact CG-CD2 3.83Å; L446-L490 HydrophobicContact CG-CG 4.43Å; L446-R493 VanDerWaalsContact CA-NH1 3.31Å
447	E	80.2	Confident	89.4	Confident	113 Å²	113	54 Å²	54	53%	0.528	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-31.1	-177.1	-65.7	176.3	-161.1	0	0	112.3	Y421 E422 G444	Y421-E447 HydrophobicContact CD1-CG 4.48Å; Y421-E447 WeakPolarHBondContact CD1-OE2 3.36Å; Y421-E447 VanDerWaalsContact CE1-OE2 3.31Å; Y421-E447 WeakPolarHBondContact CE1-OE2 3.44Å; E422-E447 WeakPolarHBondContact CA-OE1 3.33Å; E422-E447 WeakPolarHBondContact CB-OE1 3.32Å; E422-E447 PolarHBondContact N-OE1 3.05Å; G444-E447 PolarHBondContact O-N 2.97Å
448	S	80.3	Confident	89.6	Confident	24 Å²	24	50 Å²	50	17%	0.168	29%	0.285	C	S	.	.	S	Bend	trans	-103.8	144.1	175	65.1	0	0	0	0	109.2	G444 S445 A450	G444-S448 PolarHBondContact O-N 3.21Å; G444-S448 PolarHBondContact O-OG 3.43Å; S445-S448 CarbonylContact C-O 3.48Å; S445-S448 VanDerWaalsContact C-O 3.25Å; S448-A450 PolarHBondContact O-N 3.12Å; S448-A450 VanDerWaalsContact OG-CB 3.24Å; S448-A450 WeakPolarHBondContact OG-CB 3.21Å
449	N	77.3	Confident	89.8	Confident	174 Å²	174	49.3 Å²	49.3	93%	0.93	28%	0.283	S	S	*	.	S	Bend	trans	-66.9	22.7	171.4	-76	-32.3	0	0	0	113.3
450	A	85.7	Confident	90.3	Very high	36 Å²	36	45.7 Å²	45.7	30%	0.298	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-67.9	155.8	176.9	0	0	0	0	0	111.6	S445 S448	S445-A450 WeakPolarHBondContact CB-O 3.38Å; S448-A450 PolarHBondContact O-N 3.12Å; S448-A450 VanDerWaalsContact OG-CB 3.24Å; S448-A450 WeakPolarHBondContact OG-CB 3.21Å
451	S	90.3	Very high	90.9	Very high	55 Å²	55	41.2 Å²	41.2	39%	0.385	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-64.7	144.2	169.9	53.9	0	0	0	0	110.5
452	V	94.2	Very high	91.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-62.8	147.7	169.2	64.2	0	0	0	0	109.3	P454 F460 L490 R493 L494 Q497	V452-P454 WeakPolarHBondContact O-CD 3.25Å; V452-F460 HydrophobicContact CG2-CD1 4.48Å; V452-F460 HydrophobicContact CG2-CE1 4.37Å; V452-L490 HydrophobicContact CG2-CB 4.5Å; V452-L490 HydrophobicContact CG2-CD2 4.14Å; V452-R493 HydrophobicContact CB-CB 4.16Å; V452-R493 HydrophobicContact CG1-CB 4.07Å; V452-L494 HydrophobicContact CG1-CB 3.85Å; V452-L494 HydrophobicContact CG1-CD1 4.12Å; V452-Q497 PolarHBondContact O-OE1 3.14Å; V452-Q497 VanDerWaalsContact O-OE1 3.1Å
453	K	94.6	Very high	92	Very high	66 Å²	66	34.8 Å²	34.8	29%	0.287	19%	0.185	S	C	.	.			trans	-114.8	84.5	-178.7	-70.4	-173.1	-179.4	-174.9	0	110.3	H416 E455 L456	H416-K453 PolarHBondContact NE2-O 3.35Å; K453-E455 VanDerWaalsContact CA-OE2 3.31Å; K453-E455 WeakPolarHBondContact CA-OE2 3.33Å; K453-E455 WeakPolarHBondContact CB-OE1 3.4Å; K453-E455 PolarHBondContact O-N 2.99Å; K453-L456 HydrophobicContact CB-CD1 3.88Å; K453-L456 HydrophobicContact CB-CG 3.96Å; K453-L456 HydrophobicContact CD-CD1 4.04Å; K453-L456 PolarHBondContact O-N 3.25Å
454	P	96	Very high	92.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-53.2	-31.1	-176.8	-26.3	35.7	0	0	0	113.3	V452 L456 S457 F460 Q461 D464 L494	V452-P454 WeakPolarHBondContact O-CD 3.25Å; P454-L456 PolarHBondContact O-N 2.73Å; P454-L456 VanDerWaalsContact O-N 3.09Å; P454-S457 PolarHBondContact O-N 2.74Å; P454-F460 HydrophobicContact CB-CB 4.16Å; P454-Q461 WeakPolarHBondContact O-CG 3.49Å; P454-D464 HydrophobicContact CB-CB 4.25Å; P454-D464 HydrophobicContact CG-CB 4.41Å; P454-L494 HydrophobicContact CG-CD1 3.68Å
455	E	95.2	Very high	93	Very high	50 Å²	50	29.2 Å²	29.2	23%	0.234	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-57.6	-21.9	179	66.8	-85.2	-163.9	0	0	113.7	V366 K453 S457 Q461	V366-E455 WeakPolarHBondContact CG2-O 3.1Å; K453-E455 VanDerWaalsContact CA-OE2 3.31Å; K453-E455 WeakPolarHBondContact CA-OE2 3.33Å; K453-E455 WeakPolarHBondContact CB-OE1 3.4Å; K453-E455 PolarHBondContact O-N 2.99Å; E455-S457 VanDerWaalsContact C-N 3.34Å; E455-Q461 VanDerWaalsContact CA-NE2 3.35Å; E455-Q461 PolarHBondContact O-NE2 3.38Å
456	L	95.9	Very high	93.5	Very high	26 Å²	26	29.2 Å²	29.2	14%	0.136	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-83.4	-2.4	178.3	-61.3	-178.2	0	0	0	114.3	Q369 P417 F438 Y442 K453 P454	Q369-L456 WeakPolarHBondContact CB-O 3.43Å; P417-L456 WeakPolarHBondContact CD-O 3.1Å; P417-L456 HydrophobicContact CG-CB 4.42Å; P417-L456 WeakPolarHBondContact CG-O 3.29Å; F438-L456 HydrophobicContact CD1-CD2 4.49Å; F438-L456 HydrophobicContact CE1-CD1 4.44Å; F438-L456 HydrophobicContact CE1-CD2 4.49Å; Y442-L456 HydrophobicContact CD2-CD1 3.81Å; Y442-L456 HydrophobicContact CE2-CD1 3.27Å; K453-L456 HydrophobicContact CB-CD1 3.88Å; K453-L456 HydrophobicContact CB-CG 3.96Å; K453-L456 HydrophobicContact CD-CD1 4.04Å; K453-L456 PolarHBondContact O-N 3.25Å; P454-L456 PolarHBondContact O-N 2.73Å; P454-L456 VanDerWaalsContact O-N 3.09Å
457	S	97.9	Very high	93.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.			trans	-142.3	127	175.7	166.4	0	0	0	0	112.4	Q369 N415 P454 E455 K459 F460 Q461	Q369-S457 PolarHBondContact NE2-OG 3.27Å; N415-S457 WeakPolarHBondContact O-CB 3.35Å; N415-S457 PolarHBondContact O-OG 2.83Å; P454-S457 PolarHBondContact O-N 2.74Å; E455-S457 VanDerWaalsContact C-N 3.34Å; S457-K459 PolarHBondContact O-N 2.81Å; S457-K459 PolarHBondContact OG-N 2.79Å; S457-F460 PolarHBondContact O-N 3.3Å; S457-F460 PolarHBondContact OG-N 2.7Å; S457-Q461 WeakPolarHBondContact O-CG 3.41Å; S457-Q461 PolarHBondContact O-N 3.38Å
458	G	98	Very high	94.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-58.1	-37.4	179.1	0	0	0	0	0	113	N364 V462	N364-G458 WeakPolarHBondContact O-CA 3.29Å; G458-V462 WeakPolarHBondContact O-CG2 3.27Å; G458-V462 PolarHBondContact O-N 3.31Å; G458-V462 VanDerWaalsContact O-N 3.12Å
459	K	98.6	Very high	95.6	Very high	1 Å²	1	21 Å²	21	0%	0.004	12%	0.116	C	C	.	.	H	α-helix	trans	-69.6	-36.9	175.9	-68.3	-163.3	-65.9	174.9	0	112.4	C363 C414 N415 S457 L463 F553 L583 E590	C363-K459 HydrophobicContact CB-CG 3.77Å; C414-K459 VanDerWaalsContact C-CE 3.41Å; C414-K459 WeakPolarHBondContact O-CE 3.43Å; N415-K459 WeakPolarHBondContact OD1-CE 3.41Å; N415-K459 PolarHBondContact OD1-NZ 2.73Å; S457-K459 PolarHBondContact O-N 2.81Å; S457-K459 PolarHBondContact OG-N 2.79Å; K459-L463 WeakPolarHBondContact O-CB 3.36Å; K459-L463 PolarHBondContact O-N 3.38Å; K459-F553 HydrophobicContact CB-CE1 4.31Å; K459-F553 HydrophobicContact CB-CE2 3.87Å; K459-F553 HydrophobicContact CB-CZ 3.57Å; K459-F553 PolarHBondContact NZ-O 3.11Å; K459-L583 HydrophobicContact CD-CB 3.98Å; K459-L583 HydrophobicContact CG-CB 4.41Å; K459-E590 WeakPolarHBondContact CE-OE2 3.5Å; K459-E590 IonicContact NZ-OE1 2.63Å; K459-E590 PolarHBondContact NZ-OE1 3.38Å; K459-E590 IonicContact NZ-OE2 3.67Å; K459-E590 PolarHBondContact NZ-OE2 3.42Å
460	F	98.5	Very high	96.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-70.7	-38.3	175.5	-93.3	-100.6	0	0	0	112.5	N415 H416 V452 P454 S457 V462 L463 D464 T487 L490 F491 L494 F553	N415-F460 WeakPolarHBondContact O-CD2 3.38Å; N415-F460 WeakPolarHBondContact O-CE2 3.4Å; H416-F460 HydrophobicContact CB-CD2 4Å; H416-F460 HydrophobicContact CB-CE2 3.83Å; H416-F460 AromaticContact CD2-CD2 3.63Å; H416-F460 AromaticContact CD2-CG 3.81Å; V452-F460 HydrophobicContact CG2-CD1 4.48Å; V452-F460 HydrophobicContact CG2-CE1 4.37Å; P454-F460 HydrophobicContact CB-CB 4.16Å; S457-F460 PolarHBondContact O-N 3.3Å; S457-F460 PolarHBondContact OG-N 2.7Å; F460-V462 VanDerWaalsContact C-N 3.33Å; F460-V462 PolarHBondContact O-N 3.01Å; F460-L463 PolarHBondContact O-N 3.29Å; F460-D464 WeakPolarHBondContact O-CB 3.18Å; F460-D464 PolarHBondContact O-N 3.2Å; F460-T487 HydrophobicContact CE2-CG2 4.47Å; F460-T487 HydrophobicContact CZ-CG2 4.4Å; F460-L490 HydrophobicContact CE1-CB 3.89Å; F460-L490 HydrophobicContact CE2-CD1 4.25Å; F460-L490 HydrophobicContact CZ-CB 3.55Å; F460-L490 HydrophobicContact CZ-CD1 3.93Å; F460-L490 HydrophobicContact CZ-CG 4.41Å; F460-F491 AromaticContact CE1-CD1 3.92Å; F460-F491 HydrophobicContact CE1-CD1 3.92Å; F460-F491 HydrophobicContact CE1-CE1 4.18Å; F460-F491 HydrophobicContact CE2-CE1 4.33Å; F460-F491 AromaticContact CZ-CD1 3.79Å; F460-F491 HydrophobicContact CZ-CD1 3.79Å; F460-F491 AromaticContact CZ-CE1 3.73Å; F460-F491 HydrophobicContact CZ-CE1 3.73Å; F460-L494 HydrophobicContact CD1-CD2 4.26Å; F460-F553 HydrophobicContact CD2-CE1 4.04Å; F460-F553 HydrophobicContact CD2-CE2 4.35Å; F460-F553 AromaticContact CD2-CZ 3.41Å; F460-F553 HydrophobicContact CD2-CZ 3.41Å; F460-F553 VanDerWaalsContact CD2-CZ 3.41Å; F460-F553 AromaticContact CE2-CE1 3.64Å; F460-F553 HydrophobicContact CE2-CE1 3.64Å; F460-F553 HydrophobicContact CE2-CE2 4.45Å; F460-F553 AromaticContact CE2-CZ 3.43Å; F460-F553 HydrophobicContact CE2-CZ 3.43Å; F460-F553 VanDerWaalsContact CE2-CZ 3.43Å; F460-F553 HydrophobicContact CG-CZ 4.24Å; F460-F553 HydrophobicContact CZ-CE1 4.5Å; F460-F553 HydrophobicContact CZ-CZ 4.28Å
461	Q	98.2	Very high	97.1	Very high	23 Å²	23	15.7 Å²	15.7	11%	0.107	8%	0.078	C	C	.	.	H	α-helix	trans	-59.4	-46.1	173.3	-66.7	-165.5	25.2	0	0	111.4	H60 P454 E455 S457 C465 C690	H60-Q461 WeakPolarHBondContact NE2-CA 3.25Å; P454-Q461 WeakPolarHBondContact O-CG 3.49Å; E455-Q461 VanDerWaalsContact CA-NE2 3.35Å; E455-Q461 PolarHBondContact O-NE2 3.38Å; S457-Q461 WeakPolarHBondContact O-CG 3.41Å; S457-Q461 PolarHBondContact O-N 3.38Å; Q461-C465 WeakPolarHBondContact O-CB 3.28Å; Q461-C465 PolarHBondContact O-N 2.54Å; Q461-C465 VanDerWaalsContact O-N 3.08Å; Q461-C690 PolarHBondContact OE1-SG 3.41Å
462	V	98.6	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.8	-46.8	175.5	170.1	0	0	0	0	110.7	G458 F460 L466 L583 T685 C690 I691	G458-V462 WeakPolarHBondContact O-CG2 3.27Å; G458-V462 PolarHBondContact O-N 3.31Å; G458-V462 VanDerWaalsContact O-N 3.12Å; F460-V462 VanDerWaalsContact C-N 3.33Å; F460-V462 PolarHBondContact O-N 3.01Å; V462-L466 WeakPolarHBondContact O-CB 3.17Å; V462-L466 PolarHBondContact O-N 3.04Å; V462-L583 HydrophobicContact CG1-CD1 4.36Å; V462-L583 HydrophobicContact CG1-CD2 4.13Å; V462-T685 HydrophobicContact CB-CG2 4.41Å; V462-T685 HydrophobicContact CG1-CG2 3.85Å; V462-T685 VanDerWaalsContact O-CG2 3.25Å; V462-T685 WeakPolarHBondContact O-CG2 3.29Å; V462-C690 HydrophobicContact CG2-CB 3.79Å; V462-I691 HydrophobicContact CG1-CD1 4.37Å; V462-I691 HydrophobicContact CG1-CG1 4.5Å; V462-I691 HydrophobicContact CG2-CD1 4.39Å; V462-I691 HydrophobicContact CG2-CG1 3.74Å
463	L	98.8	Very high	97.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.3	-47.4	179.1	174.8	64	0	0	0	112.7	K459 F460 C465 L466 L467 L480 F491 L494 V551 F553	K459-L463 WeakPolarHBondContact O-CB 3.36Å; K459-L463 PolarHBondContact O-N 3.38Å; F460-L463 PolarHBondContact O-N 3.29Å; L463-C465 PolarHBondContact O-N 2.95Å; L463-L466 WeakPolarHBondContact O-CB 3.35Å; L463-L466 PolarHBondContact O-N 3.34Å; L463-L467 HydrophobicContact CD1-CD1 4Å; L463-L467 HydrophobicContact CD1-CD2 4.46Å; L463-L467 HydrophobicContact CD1-CG 3.96Å; L463-L467 HydrophobicContact CG-CD1 4.1Å; L463-L467 HydrophobicContact CG-CG 4.42Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.41Å; L463-L467 PolarHBondContact O-N 3.03Å; L463-L480 HydrophobicContact CD1-CD1 4.39Å; L463-L480 HydrophobicContact CD1-CD2 3.65Å; L463-L480 HydrophobicContact CD2-CD1 4.45Å; L463-F491 HydrophobicContact CD2-CD1 3.67Å; L463-F491 HydrophobicContact CD2-CE1 3.33Å; L463-F491 HydrophobicContact CD2-CZ 4.1Å; L463-L494 HydrophobicContact CD2-CD2 4.49Å; L463-V551 HydrophobicContact CD1-CG1 4.29Å; L463-V551 HydrophobicContact CD1-CG2 4.4Å; L463-F553 HydrophobicContact CB-CE2 3.96Å; L463-F553 HydrophobicContact CD2-CD2 3.95Å; L463-F553 HydrophobicContact CD2-CE2 3.71Å; L463-F553 HydrophobicContact CG-CE2 4.41Å
464	D	98.6	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-45.2	-178	-170.2	24	0	0	0	110.9	H60 I64 P454 F460 L467 A468 L494 R498	H60-D464 IonicContact CE1-OD2 3.85Å; H60-D464 PolarHBondContact CE1-OD2 2.95Å; H60-D464 VanDerWaalsContact CE1-OD2 3.3Å; I64-D464 HydrophobicContact CD1-CB 4.36Å; P454-D464 HydrophobicContact CB-CB 4.25Å; P454-D464 HydrophobicContact CG-CB 4.41Å; F460-D464 WeakPolarHBondContact O-CB 3.18Å; F460-D464 PolarHBondContact O-N 3.2Å; D464-L467 PolarHBondContact O-N 3.41Å; D464-A468 WeakPolarHBondContact O-CB 3.44Å; D464-A468 PolarHBondContact O-N 3.1Å; D464-L494 HydrophobicContact CB-CD1 4.35Å; D464-L494 HydrophobicContact CB-CD2 4.15Å; D464-R498 IonicContact OD1-NE 3.26Å; D464-R498 PolarHBondContact OD1-NE 3.42Å; D464-R498 VanDerWaalsContact OD1-NE 3.12Å; D464-R498 IonicContact OD2-CZ 3.01Å; D464-R498 IonicContact OD2-NE 2.7Å; D464-R498 PolarHBondContact OD2-NE 2.92Å; D464-R498 IonicContact OD2-NH2 2.71Å; D464-R498 PolarHBondContact OD2-NH2 2.91Å
465	C	98.5	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-42.9	174.8	-175.6	0	0	0	0	112.1	I64 I67 Q461 L463 L467 A468 V469 T685 T688	I64-C465 VanDerWaalsContact CD1-CA 3.44Å; I64-C465 HydrophobicContact CD1-CB 3.8Å; I67-C465 VanDerWaalsContact CD1-SG 3.56Å; Q461-C465 WeakPolarHBondContact O-CB 3.28Å; Q461-C465 PolarHBondContact O-N 2.54Å; Q461-C465 VanDerWaalsContact O-N 3.08Å; L463-C465 PolarHBondContact O-N 2.95Å; C465-L467 PolarHBondContact O-N 3.16Å; C465-A468 PolarHBondContact O-N 3.45Å; C465-V469 VanDerWaalsContact O-CG2 3.27Å; C465-V469 WeakPolarHBondContact O-CG2 3.42Å; C465-V469 PolarHBondContact O-N 2.88Å; C465-T685 HydrophobicContact CB-CG2 4.08Å; C465-T688 HydrophobicContact CB-CG2 3.35Å
466	L	98.5	Very high	97.3	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-56.2	-50.5	174.7	-168.9	83.6	0	0	0	111	V462 L463 A468 V469 I470 V551 Y581 V681 L682 T685	V462-L466 WeakPolarHBondContact O-CB 3.17Å; V462-L466 PolarHBondContact O-N 3.04Å; L463-L466 WeakPolarHBondContact O-CB 3.35Å; L463-L466 PolarHBondContact O-N 3.34Å; L466-A468 PolarHBondContact O-N 3.05Å; L466-V469 PolarHBondContact O-N 3.45Å; L466-I470 HydrophobicContact CD2-CD1 4.25Å; L466-I470 HydrophobicContact CG-CD1 3.86Å; L466-I470 WeakPolarHBondContact O-CD1 3.41Å; L466-I470 WeakPolarHBondContact O-CG1 3.26Å; L466-I470 PolarHBondContact O-N 3.01Å; L466-V551 HydrophobicContact CD2-CG2 3.6Å; L466-Y581 HydrophobicContact CD1-CD1 4.41Å; L466-Y581 HydrophobicContact CD1-CE1 4.02Å; L466-Y581 HydrophobicContact CD1-CE2 4.45Å; L466-Y581 HydrophobicContact CD2-CD2 3.91Å; L466-Y581 HydrophobicContact CD2-CE2 4.04Å; L466-Y581 HydrophobicContact CD2-CG 4.2Å; L466-V681 HydrophobicContact CD1-CG1 3.61Å; L466-V681 HydrophobicContact CG-CG1 4.2Å; L466-L682 HydrophobicContact CD1-CD1 4.46Å; L466-T685 WeakPolarHBondContact CA-OG1 3.34Å; L466-T685 HydrophobicContact CB-CG2 4.17Å; L466-T685 HydrophobicContact CD1-CG2 4.45Å
467	L	98.7	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-43.2	178.8	-68.8	177.2	0	0	0	111.8	L463 D464 C465 I470 K471 V478 L480 Y500 F529 V530	L463-L467 HydrophobicContact CD1-CD1 4Å; L463-L467 HydrophobicContact CD1-CD2 4.46Å; L463-L467 HydrophobicContact CD1-CG 3.96Å; L463-L467 HydrophobicContact CG-CD1 4.1Å; L463-L467 HydrophobicContact CG-CG 4.42Å; L463-L467 VanDerWaalsContact O-CG 3.31Å; L463-L467 WeakPolarHBondContact O-CG 3.41Å; L463-L467 PolarHBondContact O-N 3.03Å; D464-L467 PolarHBondContact O-N 3.41Å; C465-L467 PolarHBondContact O-N 3.16Å; L467-I470 PolarHBondContact O-N 3.27Å; L467-K471 VanDerWaalsContact O-CB 3.24Å; L467-K471 WeakPolarHBondContact O-CB 3.33Å; L467-K471 PolarHBondContact O-N 3.36Å; L467-V478 HydrophobicContact CD2-CB 4.18Å; L467-V478 HydrophobicContact CD2-CG1 4Å; L467-V478 HydrophobicContact CD2-CG2 4.05Å; L467-L480 HydrophobicContact CD1-CD1 4.46Å; L467-Y500 HydrophobicContact CB-CE2 3.78Å; L467-Y500 HydrophobicContact CD1-CD2 4.43Å; L467-Y500 HydrophobicContact CD1-CE2 4.26Å; L467-F529 HydrophobicContact CB-CE1 4.45Å; L467-F529 HydrophobicContact CD2-CE1 4.23Å; L467-F529 HydrophobicContact CD2-CZ 4.4Å; L467-V530 HydrophobicContact CD2-CG2 4.19Å
468	A	98.1	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-43.4	177.7	0	0	0	0	0	112.2	I64 I67 L68 D464 C465 L466 K471 S472 Y500	I64-A468 HydrophobicContact CD1-CB 4.26Å; I64-A468 HydrophobicContact CG2-CB 4.21Å; I67-A468 HydrophobicContact CB-CB 4.46Å; I67-A468 HydrophobicContact CG2-CB 3.9Å; L68-A468 HydrophobicContact CD2-CB 3.84Å; L68-A468 HydrophobicContact CG-CB 4.13Å; D464-A468 WeakPolarHBondContact O-CB 3.44Å; D464-A468 PolarHBondContact O-N 3.1Å; C465-A468 PolarHBondContact O-N 3.45Å; L466-A468 PolarHBondContact O-N 3.05Å; A468-K471 PolarHBondContact O-N 3.41Å; A468-S472 VanDerWaalsContact O-CB 3.3Å; A468-S472 WeakPolarHBondContact O-CB 3.3Å; A468-S472 PolarHBondContact O-N 3.03Å; A468-S472 PolarHBondContact O-OG 3.3Å; A468-Y500 WeakPolarHBondContact CA-OH 3.44Å; A468-Y500 PolarHBondContact N-OH 3.09Å
469	V	98	Very high	97.4	Very high	7 Å²	7	18 Å²	18	4%	0.042	10%	0.102	C	C	.	.	H	α-helix	trans	-65.9	-46.9	176.8	175.7	0	0	0	0	110.6	I67 C465 L466 K471 S472 T473 V681 A684	I67-V469 HydrophobicContact CD1-CG2 4.03Å; I67-V469 HydrophobicContact CG2-CG2 3.91Å; C465-V469 VanDerWaalsContact O-CG2 3.27Å; C465-V469 WeakPolarHBondContact O-CG2 3.42Å; C465-V469 PolarHBondContact O-N 2.88Å; L466-V469 PolarHBondContact O-N 3.45Å; V469-K471 VanDerWaalsContact C-N 3.3Å; V469-K471 PolarHBondContact O-N 2.93Å; V469-S472 WeakPolarHBondContact CA-OG 3.09Å; V469-S472 PolarHBondContact O-N 3.13Å; V469-S472 PolarHBondContact O-OG 3.45Å; V469-T473 HydrophobicContact CG1-CG2 4.28Å; V469-T473 WeakPolarHBondContact O-CB 3.42Å; V469-T473 WeakPolarHBondContact O-CG2 3.38Å; V469-T473 PolarHBondContact O-N 3.06Å; V469-T473 PolarHBondContact O-OG1 2.79Å; V469-V681 HydrophobicContact CB-CG1 4.15Å; V469-V681 HydrophobicContact CG1-CB 4.22Å; V469-V681 HydrophobicContact CG1-CG1 3.89Å; V469-V681 HydrophobicContact CG1-CG2 4.21Å; V469-A684 HydrophobicContact CG1-CB 4Å; V469-A684 HydrophobicContact CG2-CB 3.91Å
470	I	98	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.9	-47.5	178.1	-66.2	164.3	0	0	0	109.8	L466 L467 S472 T473 T474 D476 V478 F529 R549 V681	L466-I470 HydrophobicContact CD2-CD1 4.25Å; L466-I470 HydrophobicContact CG-CD1 3.86Å; L466-I470 WeakPolarHBondContact O-CD1 3.41Å; L466-I470 WeakPolarHBondContact O-CG1 3.26Å; L466-I470 PolarHBondContact O-N 3.01Å; L467-I470 PolarHBondContact O-N 3.27Å; I470-S472 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 3.39Å; I470-T473 PolarHBondContact O-N 2.98Å; I470-T474 VanDerWaalsContact CG2-OG1 3.3Å; I470-T474 WeakPolarHBondContact CG2-OG1 3.19Å; I470-T474 PolarHBondContact O-N 2.8Å; I470-T474 PolarHBondContact O-OG1 2.8Å; I470-D476 HydrophobicContact CG2-CB 4.14Å; I470-V478 HydrophobicContact CD1-CG2 3.77Å; I470-V478 HydrophobicContact CG2-CG2 3.97Å; I470-F529 HydrophobicContact CB-CE2 4.43Å; I470-F529 HydrophobicContact CB-CZ 4.08Å; I470-F529 HydrophobicContact CG2-CE2 3.66Å; I470-F529 HydrophobicContact CG2-CZ 3.81Å; I470-R549 VanDerWaalsContact CD1-CD 3.43Å; I470-V681 HydrophobicContact CD1-CG1 4.17Å; I470-V681 HydrophobicContact CG1-CB 4.46Å; I470-V681 HydrophobicContact CG1-CG1 3.49Å; I470-V681 VanDerWaalsContact CG1-CG1 3.49Å; I470-V681 HydrophobicContact CG1-CG2 4.21Å
471	K	96.3	Very high	97.2	Very high	99 Å²	99	18.4 Å²	18.4	43%	0.43	11%	0.105	S	C	.	.	H	α-helix	trans	-64.6	-35.7	-177.6	-174.4	59	174.8	178.9	0	113.2	L467 A468 V469 Y500 F529	L467-K471 VanDerWaalsContact O-CB 3.24Å; L467-K471 WeakPolarHBondContact O-CB 3.33Å; L467-K471 PolarHBondContact O-N 3.36Å; A468-K471 PolarHBondContact O-N 3.41Å; V469-K471 VanDerWaalsContact C-N 3.3Å; V469-K471 PolarHBondContact O-N 2.93Å; K471-Y500 HydrophobicContact CB-CE1 4.2Å; K471-Y500 HydrophobicContact CG-CD1 4.33Å; K471-Y500 HydrophobicContact CG-CE1 3.9Å; K471-F529 HydrophobicContact CB-CE1 3.93Å; K471-F529 HydrophobicContact CB-CE2 4.48Å; K471-F529 HydrophobicContact CB-CZ 3.82Å; K471-F529 HydrophobicContact CD-CD1 4.14Å; K471-F529 HydrophobicContact CD-CD2 4.32Å; K471-F529 HydrophobicContact CD-CE1 4.19Å; K471-F529 HydrophobicContact CD-CE2 4.35Å; K471-F529 HydrophobicContact CD-CG 4.22Å; K471-F529 HydrophobicContact CD-CZ 4.3Å; K471-F529 HydrophobicContact CG-CE1 4.42Å
472	S	95.3	Very high	97.1	Very high	18 Å²	18	17.3 Å²	17.3	13%	0.126	10%	0.1	C	C	.	.	H	α-helix	trans	-88.9	-16.9	-176.8	58	0	0	0	0	114.3	I67 F72 A468 V469 I470	I67-S472 WeakPolarHBondContact CG2-OG 3.42Å; F72-S472 VanDerWaalsContact CD2-O 3.31Å; F72-S472 WeakPolarHBondContact CD2-O 3.48Å; A468-S472 VanDerWaalsContact O-CB 3.3Å; A468-S472 WeakPolarHBondContact O-CB 3.3Å; A468-S472 PolarHBondContact O-N 3.03Å; A468-S472 PolarHBondContact O-OG 3.3Å; V469-S472 WeakPolarHBondContact CA-OG 3.09Å; V469-S472 PolarHBondContact O-N 3.13Å; V469-S472 PolarHBondContact O-OG 3.45Å; I470-S472 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 3.39Å
473	T	94.3	Very high	96.8	Very high	66 Å²	66	18.8 Å²	18.8	41%	0.405	11%	0.107	S	C	.	.	H	α-helix	trans	-123.3	-14.6	-173.4	65.6	0	0	0	0	114.7	V469 I470	V469-T473 HydrophobicContact CG1-CG2 4.28Å; V469-T473 WeakPolarHBondContact O-CB 3.42Å; V469-T473 WeakPolarHBondContact O-CG2 3.38Å; V469-T473 PolarHBondContact O-N 3.06Å; V469-T473 PolarHBondContact O-OG1 2.79Å; I470-T473 PolarHBondContact O-N 2.98Å
474	T	94.5	Very high	96.5	Very high	30 Å²	30	20.5 Å²	20.5	18%	0.184	11%	0.114	C	C	.	.			trans	-133.6	172.4	-176	77.3	0	0	0	0	113	I470 D476 V681	I470-T474 VanDerWaalsContact CG2-OG1 3.3Å; I470-T474 WeakPolarHBondContact CG2-OG1 3.19Å; I470-T474 PolarHBondContact O-N 2.8Å; I470-T474 PolarHBondContact O-OG1 2.8Å; T474-D476 WeakPolarHBondContact OG1-CB 3.28Å; T474-D476 PolarHBondContact OG1-N 3Å; T474-V681 HydrophobicContact CG2-CG2 4.32Å
475	S	93.2	Very high	96.2	Very high	94 Å²	94	23.7 Å²	23.7	66%	0.657	13%	0.134	S	C	*	.			trans	-104.3	16.2	168.9	63.4	0	0	0	0	111.9
476	D	96.8	Very high	96	Very high	19 Å²	19	26.9 Å²	26.9	10%	0.102	15%	0.148	C	C	.	.			trans	-77.7	146.5	-172.1	-67.9	-13.8	0	0	0	110.9	I470 T474 F529 N548 R549 K576	I470-D476 HydrophobicContact CG2-CB 4.14Å; T474-D476 WeakPolarHBondContact OG1-CB 3.28Å; T474-D476 PolarHBondContact OG1-N 3Å; D476-F529 WeakPolarHBondContact O-CD2 3.25Å; D476-F529 VanDerWaalsContact O-CE2 3.25Å; D476-F529 WeakPolarHBondContact O-CE2 3.28Å; D476-N548 WeakPolarHBondContact CB-OD1 3.3Å; D476-N548 PolarHBondContact OD1-ND2 2.93Å; D476-N548 PolarHBondContact OD1-OD1 2.96Å; D476-N548 PolarHBondContact OD2-ND2 3.08Å; D476-R549 HydrophobicContact CB-CG 4.2Å; D476-R549 IonicContact OD2-CZ 2.67Å; D476-R549 IonicContact OD2-NE 3.19Å; D476-R549 PolarHBondContact OD2-NE 3.49Å; D476-R549 IonicContact OD2-NH2 3.4Å; D476-R549 PolarHBondContact OD2-NH2 3.27Å; D476-K576 IonicContact OD1-NZ 3.64Å; D476-K576 PolarHBondContact OD1-NZ 3.05Å; D476-K576 VanDerWaalsContact OD1-NZ 3.15Å
477	K	98.1	Very high	96	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.087	15%	0.148	C	C	.	.			trans	-100.7	149.7	170.3	-58.2	-174.7	-177.1	-170.9	0	109.7	F521 D523 D528 A547 N548 R549	K477-F521 HydrophobicContact CB-CE2 4.05Å; K477-F521 HydrophobicContact CB-CZ 3.73Å; K477-F521 HydrophobicContact CD-CD2 4.35Å; K477-F521 HydrophobicContact CD-CE2 3.95Å; K477-F521 HydrophobicContact CD-CZ 4.16Å; K477-F521 PolarHBondContact NZ-O 3.27Å; K477-D523 PolarHBondContact NZ-O 3.11Å; K477-D528 WeakPolarHBondContact CD-O 3.34Å; K477-D528 WeakPolarHBondContact CE-O 3.27Å; K477-A547 HydrophobicContact CB-CB 4.23Å; K477-A547 WeakPolarHBondContact O-CB 3.16Å; K477-N548 PolarHBondContact O-N 3.26Å; K477-R549 PolarHBondContact O-N 2.86Å
478	V	98.6	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.6	-172.5	-172.1	0	0	0	0	110.4	L467 I470 L480 F529 V530 F531 R549 V551	L467-V478 HydrophobicContact CD2-CB 4.18Å; L467-V478 HydrophobicContact CD2-CG1 4Å; L467-V478 HydrophobicContact CD2-CG2 4.05Å; I470-V478 HydrophobicContact CD1-CG2 3.77Å; I470-V478 HydrophobicContact CG2-CG2 3.97Å; V478-L480 HydrophobicContact CG1-CD2 3.72Å; V478-L480 HydrophobicContact CG1-CG 4.38Å; V478-F529 HydrophobicContact CG2-CE2 3.91Å; V478-F529 HydrophobicContact CG2-CZ 3.98Å; V478-F529 PolarHBondContact N-O 2.55Å; V478-V530 CarbonylContact O-C 3.59Å; V478-V530 WeakPolarHBondContact O-CA 3.24Å; V478-F531 PolarHBondContact O-N 2.92Å; V478-R549 CarbonylContact C-O 3.57Å; V478-R549 WeakPolarHBondContact CA-O 3.42Å; V478-R549 HydrophobicContact CG2-CB 4.24Å; V478-V551 HydrophobicContact CG1-CG2 4.06Å
479	V	97.6	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.7	164.5	179.4	0	0	0	0	108.3	I481 F521 F531 L544 A547 R549 L550 V551 V569	V479-I481 HydrophobicContact CG1-CD1 4.29Å; V479-I481 HydrophobicContact CG1-CG1 3.95Å; V479-F521 HydrophobicContact CG2-CE1 4.18Å; V479-F521 HydrophobicContact CG2-CZ 4.38Å; V479-F531 CarbonylContact C-O 3.59Å; V479-F531 VanDerWaalsContact CA-O 3.3Å; V479-F531 WeakPolarHBondContact CA-O 3.25Å; V479-F531 HydrophobicContact CG2-CB 4.18Å; V479-L544 HydrophobicContact CG1-CD1 4.16Å; V479-L544 HydrophobicContact CG2-CB 4.25Å; V479-L544 HydrophobicContact CG2-CD1 4.12Å; V479-A547 HydrophobicContact CG2-CB 3.57Å; V479-R549 PolarHBondContact N-O 3.49Å; V479-L550 HydrophobicContact CB-CD1 3.74Å; V479-L550 HydrophobicContact CG1-CD1 3.68Å; V479-L550 WeakPolarHBondContact O-CA 3.45Å; V479-V551 PolarHBondContact O-N 2.95Å; V479-V569 HydrophobicContact CB-CG2 4.19Å; V479-V569 HydrophobicContact CG2-CG2 3.8Å
480	L	97.9	Very high	95.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.4	173.3	-58.3	-177.1	0	0	0	109.3	L463 L467 V478 F491 V530 F531 M532 L533 V551	L463-L480 HydrophobicContact CD1-CD1 4.39Å; L463-L480 HydrophobicContact CD1-CD2 3.65Å; L463-L480 HydrophobicContact CD2-CD1 4.45Å; L467-L480 HydrophobicContact CD1-CD1 4.46Å; V478-L480 HydrophobicContact CG1-CD2 3.72Å; V478-L480 HydrophobicContact CG1-CG 4.38Å; L480-F491 HydrophobicContact CB-CD2 4Å; L480-F491 HydrophobicContact CB-CE2 3.89Å; L480-F491 HydrophobicContact CD1-CB 4.31Å; L480-F491 HydrophobicContact CD1-CD1 4.49Å; L480-F491 HydrophobicContact CD1-CD2 3.9Å; L480-F491 HydrophobicContact CD1-CE2 4.3Å; L480-F491 HydrophobicContact CD1-CG 4.01Å; L480-V530 HydrophobicContact CD1-CG1 3.56Å; L480-V530 HydrophobicContact CG-CG1 3.74Å; L480-F531 PolarHBondContact N-O 3.39Å; L480-M532 WeakPolarHBondContact O-CA 3.49Å; L480-L533 PolarHBondContact O-N 2.82Å; L480-V551 HydrophobicContact CD2-CB 3.6Å; L480-V551 HydrophobicContact CD2-CG1 4.36Å; L480-V551 HydrophobicContact CD2-CG2 3.7Å
481	I	95.2	Very high	95.8	Very high	9 Å²	9	28.6 Å²	28.6	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.9	178.9	-58.4	-175.9	0	0	0	110.1	V479 L533 L550 V551 F553 A565	V479-I481 HydrophobicContact CG1-CD1 4.29Å; V479-I481 HydrophobicContact CG1-CG1 3.95Å; I481-L533 WeakPolarHBondContact CA-O 3.42Å; I481-L533 HydrophobicContact CD1-CD2 4.13Å; I481-L533 HydrophobicContact CG1-CB 4.23Å; I481-L533 HydrophobicContact CG1-CD2 4.35Å; I481-L550 HydrophobicContact CD1-CD1 3.48Å; I481-L550 VanDerWaalsContact CD1-CD1 3.48Å; I481-L550 HydrophobicContact CD1-CD2 4.44Å; I481-L550 HydrophobicContact CG1-CD1 3.72Å; I481-V551 PolarHBondContact N-O 2.92Å; I481-F553 WeakPolarHBondContact O-CB 3.3Å; I481-F553 PolarHBondContact O-N 2.96Å; I481-A565 HydrophobicContact CD1-CB 3.56Å
482	S	95.3	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	150.1	170.5	179.6	0	0	0	0	110.6	Y484 T487 L533 S534 S535 D554	S482-Y484 VanDerWaalsContact C-N 3.27Å; S482-Y484 PolarHBondContact OG-N 3.31Å; S482-Y484 PolarHBondContact OG-O 2.96Å; S482-T487 WeakPolarHBondContact OG-CB 3.35Å; S482-T487 PolarHBondContact OG-OG1 3.25Å; S482-T487 VanDerWaalsContact OG-OG1 3.12Å; S482-L533 PolarHBondContact N-O 3.02Å; S482-S534 CarbonylContact O-C 3.56Å; S482-S534 WeakPolarHBondContact O-CA 3.35Å; S482-S535 PolarHBondContact O-N 3.12Å; S482-D554 WeakPolarHBondContact CA-OD1 3.33Å; S482-D554 VanDerWaalsContact CB-OD1 3.25Å; S482-D554 WeakPolarHBondContact CB-OD1 3.34Å; S482-D554 PolarHBondContact OG-OD1 3.18Å
483	N	91.8	Very high	95.8	Very high	31 Å²	31	28.3 Å²	28.3	17%	0.166	15%	0.153	C	C	.	.	S	Bend	trans	-74.9	-18.4	171.5	-61.8	-55.6	0	0	0	112.6	S535 D554 P555	N483-S535 WeakPolarHBondContact OD1-CB 2.98Å; N483-S535 PolarHBondContact OD1-OG 3.48Å; N483-D554 WeakPolarHBondContact CB-OD2 3.44Å; N483-D554 VanDerWaalsContact CG-OD2 3.22Å; N483-D554 PolarHBondContact N-OD2 3.01Å; N483-D554 PolarHBondContact ND2-O 3.24Å; N483-D554 PolarHBondContact ND2-OD2 3.05Å; N483-P555 PolarHBondContact ND2-O 2.85Å
484	Y	93.3	Very high	96	Very high	36 Å²	36	25.2 Å²	25.2	14%	0.141	13%	0.134	C	C	.	.			trans	-111.1	126.7	-176.4	-53.3	-83.8	0	0	0	111.7	T408 K411 K412 S482 Q486 T487 L488	T408-Y484 HydrophobicContact CG2-CE1 4.1Å; K411-Y484 HydrophobicContact CB-CE2 4.32Å; K411-Y484 WeakPolarHBondContact CB-OH 3.34Å; K411-Y484 WeakPolarHBondContact CE-OH 3.46Å; K412-Y484 HydrophobicContact CG-CD1 4.23Å; K412-Y484 HydrophobicContact CG-CE1 4.08Å; S482-Y484 VanDerWaalsContact C-N 3.27Å; S482-Y484 PolarHBondContact OG-N 3.31Å; S482-Y484 PolarHBondContact OG-O 2.96Å; Y484-Q486 PolarHBondContact O-N 3Å; Y484-T487 WeakPolarHBondContact CB-OG1 3.19Å; Y484-T487 WeakPolarHBondContact O-CB 3.35Å; Y484-T487 PolarHBondContact O-N 3.45Å; Y484-T487 VanDerWaalsContact O-N 3.12Å; Y484-L488 PolarHBondContact O-N 2.79Å
485	T	93.3	Very high	96.2	Very high	67 Å²	67	23.9 Å²	23.9	41%	0.411	13%	0.126	S	C	.	.	H	α-helix	trans	-62.9	-33.1	174.9	51.2	0	0	0	0	112.3	T487 L488 D489 D506	T485-T487 VanDerWaalsContact C-N 3.25Å; T485-T487 PolarHBondContact O-N 3.48Å; T485-L488 WeakPolarHBondContact O-CA 3.44Å; T485-L488 VanDerWaalsContact O-CB 3.27Å; T485-L488 WeakPolarHBondContact O-CB 3.49Å; T485-L488 PolarHBondContact O-N 3.39Å; T485-D489 PolarHBondContact O-N 3.4Å; T485-D506 HydrophobicContact CG2-CB 4.42Å
486	Q	94.5	Very high	96.3	Very high	66 Å²	66	24.2 Å²	24.2	31%	0.308	12%	0.12	S	C	.	.	H	α-helix	trans	-62.4	-31.5	175.1	-65.1	179.1	-64.1	0	0	112.5	L419 L446 Y484 L488 D489 L490	L419-Q486 HydrophobicContact CD2-CB 3.39Å; L446-Q486 HydrophobicContact CD1-CB 4.36Å; Y484-Q486 PolarHBondContact O-N 3Å; Q486-L488 VanDerWaalsContact C-N 3.32Å; Q486-D489 WeakPolarHBondContact CA-OD2 3.4Å; Q486-D489 WeakPolarHBondContact O-CB 3.38Å; Q486-D489 PolarHBondContact O-N 3.19Å; Q486-L490 PolarHBondContact O-N 3.12Å
487	T	97.3	Very high	96.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-37.3	171.1	-46.8	0	0	0	0	110.8	N415 F460 S482 Y484 T485 D489 L490 F491 F553	N415-T487 PolarHBondContact ND2-OG1 2.84Å; F460-T487 HydrophobicContact CE2-CG2 4.47Å; F460-T487 HydrophobicContact CZ-CG2 4.4Å; S482-T487 WeakPolarHBondContact OG-CB 3.35Å; S482-T487 PolarHBondContact OG-OG1 3.25Å; S482-T487 VanDerWaalsContact OG-OG1 3.12Å; Y484-T487 WeakPolarHBondContact CB-OG1 3.19Å; Y484-T487 WeakPolarHBondContact O-CB 3.35Å; Y484-T487 PolarHBondContact O-N 3.45Å; Y484-T487 VanDerWaalsContact O-N 3.12Å; T485-T487 VanDerWaalsContact C-N 3.25Å; T485-T487 PolarHBondContact O-N 3.48Å; T487-D489 VanDerWaalsContact C-N 3.31Å; T487-D489 PolarHBondContact O-N 2.98Å; T487-L490 WeakPolarHBondContact O-CB 3.47Å; T487-L490 PolarHBondContact O-N 3.33Å; T487-F491 HydrophobicContact CG2-CD1 4.35Å; T487-F491 HydrophobicContact CG2-CE1 3.66Å; T487-F491 HydrophobicContact CG2-CE2 4.05Å; T487-F491 HydrophobicContact CG2-CZ 3.48Å; T487-F491 VanDerWaalsContact CG2-CZ 3.48Å; T487-F491 WeakPolarHBondContact O-CG 3.34Å; T487-F491 PolarHBondContact O-N 3.3Å; T487-F553 HydrophobicContact CG2-CD1 3.72Å; T487-F553 HydrophobicContact CG2-CE1 3.9Å
488	L	96.6	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-38.8	175.1	-51.6	-174.2	0	0	0	110.9	Y484 T485 Q486 L490 F491 E492 R504 M532	Y484-L488 PolarHBondContact O-N 2.79Å; T485-L488 WeakPolarHBondContact O-CA 3.44Å; T485-L488 VanDerWaalsContact O-CB 3.27Å; T485-L488 WeakPolarHBondContact O-CB 3.49Å; T485-L488 PolarHBondContact O-N 3.39Å; Q486-L488 VanDerWaalsContact C-N 3.32Å; L488-L490 VanDerWaalsContact C-N 3.27Å; L488-L490 PolarHBondContact O-N 2.69Å; L488-F491 HydrophobicContact CD2-CD2 3.71Å; L488-F491 HydrophobicContact CD2-CE2 3.84Å; L488-F491 WeakPolarHBondContact O-CB 3.39Å; L488-F491 PolarHBondContact O-N 2.67Å; L488-F491 VanDerWaalsContact O-N 3.09Å; L488-E492 WeakPolarHBondContact O-CG 3.44Å; L488-E492 PolarHBondContact O-N 2.66Å; L488-R504 HydrophobicContact CD1-CG 4.44Å; L488-M532 HydrophobicContact CD2-CB 4.29Å
489	D	95.8	Very high	96.1	Very high	45 Å²	45	29.9 Å²	29.9	24%	0.241	16%	0.16	C	C	.	.	H	α-helix	trans	-58.3	-40.2	173.7	-56	-28.7	0	0	0	111.3	L446 T485 Q486 T487 E492 R493 R504	L446-D489 HydrophobicContact CD2-CB 3.64Å; T485-D489 PolarHBondContact O-N 3.4Å; Q486-D489 WeakPolarHBondContact CA-OD2 3.4Å; Q486-D489 WeakPolarHBondContact O-CB 3.38Å; Q486-D489 PolarHBondContact O-N 3.19Å; T487-D489 VanDerWaalsContact C-N 3.31Å; T487-D489 PolarHBondContact O-N 2.98Å; D489-E492 WeakPolarHBondContact O-CB 3.4Å; D489-E492 PolarHBondContact O-N 3.26Å; D489-R493 PolarHBondContact O-N 2.98Å; D489-R493 VanDerWaalsContact O-N 3.12Å; D489-R504 IonicContact OD1-CZ 3.14Å; D489-R504 IonicContact OD1-NH1 2.94Å; D489-R504 PolarHBondContact OD1-NH1 3.49Å; D489-R504 IonicContact OD1-NH2 3.33Å; D489-R504 PolarHBondContact OD1-NH2 3.3Å
490	L	97.9	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.1	-38.9	173.7	-64.5	-179.3	0	0	0	112.5	H416 D418 L419 S445 L446 V452 F460 Q486 T487 L488 E492 R493 L494	H416-L490 HydrophobicContact CB-CD1 3.65Å; D418-L490 HydrophobicContact CB-CD1 4.23Å; D418-L490 HydrophobicContact CB-CD2 4.09Å; L419-L490 HydrophobicContact CD1-CD1 4.34Å; L419-L490 HydrophobicContact CD2-CD1 3.84Å; L419-L490 HydrophobicContact CD2-CG 4.43Å; L419-L490 HydrophobicContact CG-CD1 3.84Å; S445-L490 VanDerWaalsContact OG-CD2 3.25Å; S445-L490 WeakPolarHBondContact OG-CD2 3.11Å; L446-L490 HydrophobicContact CD1-CD2 4.12Å; L446-L490 HydrophobicContact CD1-CG 4.31Å; L446-L490 HydrophobicContact CD2-CD2 4.16Å; L446-L490 HydrophobicContact CD2-CG 4.5Å; L446-L490 HydrophobicContact CG-CD2 3.83Å; L446-L490 HydrophobicContact CG-CG 4.43Å; V452-L490 HydrophobicContact CG2-CB 4.5Å; V452-L490 HydrophobicContact CG2-CD2 4.14Å; F460-L490 HydrophobicContact CE1-CB 3.89Å; F460-L490 HydrophobicContact CE2-CD1 4.25Å; F460-L490 HydrophobicContact CZ-CB 3.55Å; F460-L490 HydrophobicContact CZ-CD1 3.93Å; F460-L490 HydrophobicContact CZ-CG 4.41Å; Q486-L490 PolarHBondContact O-N 3.12Å; T487-L490 WeakPolarHBondContact O-CB 3.47Å; T487-L490 PolarHBondContact O-N 3.33Å; L488-L490 VanDerWaalsContact C-N 3.27Å; L488-L490 PolarHBondContact O-N 2.69Å; L490-E492 VanDerWaalsContact C-N 3.31Å; L490-E492 PolarHBondContact O-N 2.82Å; L490-R493 PolarHBondContact O-N 3.32Å; L490-L494 PolarHBondContact O-N 2.78Å
491	F	98.1	Very high	96.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-39.2	173.6	-62.1	-21.9	0	0	0	112	F460 L463 L480 T487 L488 L494 C495 M532 F553	F460-F491 AromaticContact CE1-CD1 3.92Å; F460-F491 HydrophobicContact CE1-CD1 3.92Å; F460-F491 HydrophobicContact CE1-CE1 4.18Å; F460-F491 HydrophobicContact CE2-CE1 4.33Å; F460-F491 AromaticContact CZ-CD1 3.79Å; F460-F491 HydrophobicContact CZ-CD1 3.79Å; F460-F491 AromaticContact CZ-CE1 3.73Å; F460-F491 HydrophobicContact CZ-CE1 3.73Å; L463-F491 HydrophobicContact CD2-CD1 3.67Å; L463-F491 HydrophobicContact CD2-CE1 3.33Å; L463-F491 HydrophobicContact CD2-CZ 4.1Å; L480-F491 HydrophobicContact CB-CD2 4Å; L480-F491 HydrophobicContact CB-CE2 3.89Å; L480-F491 HydrophobicContact CD1-CB 4.31Å; L480-F491 HydrophobicContact CD1-CD1 4.49Å; L480-F491 HydrophobicContact CD1-CD2 3.9Å; L480-F491 HydrophobicContact CD1-CE2 4.3Å; L480-F491 HydrophobicContact CD1-CG 4.01Å; T487-F491 HydrophobicContact CG2-CD1 4.35Å; T487-F491 HydrophobicContact CG2-CE1 3.66Å; T487-F491 HydrophobicContact CG2-CE2 4.05Å; T487-F491 HydrophobicContact CG2-CZ 3.48Å; T487-F491 VanDerWaalsContact CG2-CZ 3.48Å; T487-F491 WeakPolarHBondContact O-CG 3.34Å; T487-F491 PolarHBondContact O-N 3.3Å; L488-F491 HydrophobicContact CD2-CD2 3.71Å; L488-F491 HydrophobicContact CD2-CE2 3.84Å; L488-F491 WeakPolarHBondContact O-CB 3.39Å; L488-F491 PolarHBondContact O-N 2.67Å; L488-F491 VanDerWaalsContact O-N 3.09Å; F491-L494 PolarHBondContact O-N 2.82Å; F491-C495 WeakPolarHBondContact O-CB 3.31Å; F491-C495 PolarHBondContact O-N 2.94Å; F491-C495 PolarHBondContact O-SG 2.65Å; F491-M532 VanDerWaalsContact C-CE 3.49Å; F491-M532 HydrophobicContact CB-CE 3.7Å; F491-M532 HydrophobicContact CB-CG 4.33Å; F491-M532 HydrophobicContact CB-SD 3.7Å; F491-M532 HydrophobicContact CD2-CG 4.45Å; F491-M532 WeakPolarHBondContact O-CE 3.36Å; F491-F553 HydrophobicContact CE1-CD1 4.17Å; F491-F553 AromaticContact CE1-CD2 3.97Å; F491-F553 HydrophobicContact CE1-CD2 3.97Å; F491-F553 HydrophobicContact CE1-CE1 4.25Å; F491-F553 HydrophobicContact CE1-CE2 4.08Å; F491-F553 HydrophobicContact CE1-CG 4.03Å; F491-F553 HydrophobicContact CE1-CZ 4.22Å; F491-F553 HydrophobicContact CZ-CB 3.78Å; F491-F553 AromaticContact CZ-CD1 3.83Å; F491-F553 HydrophobicContact CZ-CD1 3.83Å; F491-F553 AromaticContact CZ-CD2 3.81Å; F491-F553 HydrophobicContact CZ-CD2 3.81Å; F491-F553 HydrophobicContact CZ-CE1 4.37Å; F491-F553 HydrophobicContact CZ-CE2 4.37Å; F491-F553 AromaticContact CZ-CG 3.52Å; F491-F553 HydrophobicContact CZ-CG 3.52Å
492	E	96.3	Very high	96.3	Very high	53 Å²	53	35.9 Å²	35.9	25%	0.248	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-49.4	174.7	-69	-171.6	178.3	0	0	110.9	L488 D489 L490 L494 C495 L496 F502 R504 M532	L488-E492 WeakPolarHBondContact O-CG 3.44Å; L488-E492 PolarHBondContact O-N 2.66Å; D489-E492 WeakPolarHBondContact O-CB 3.4Å; D489-E492 PolarHBondContact O-N 3.26Å; L490-E492 VanDerWaalsContact C-N 3.31Å; L490-E492 PolarHBondContact O-N 2.82Å; E492-L494 VanDerWaalsContact C-N 3.31Å; E492-L494 PolarHBondContact O-N 3.32Å; E492-C495 PolarHBondContact O-N 2.91Å; E492-L496 WeakPolarHBondContact O-CB 3.33Å; E492-L496 VanDerWaalsContact O-CG 3.29Å; E492-L496 WeakPolarHBondContact O-CG 3.37Å; E492-L496 PolarHBondContact O-N 2.71Å; E492-F502 HydrophobicContact CB-CE2 4.09Å; E492-F502 HydrophobicContact CB-CZ 3.97Å; E492-F502 HydrophobicContact CG-CD2 4.23Å; E492-F502 HydrophobicContact CG-CE2 3.53Å; E492-F502 HydrophobicContact CG-CZ 3.94Å; E492-R504 VanDerWaalsContact CD-NH1 3.27Å; E492-R504 WeakPolarHBondContact OE1-CD 3.36Å; E492-R504 IonicContact OE1-CZ 2.79Å; E492-R504 IonicContact OE1-NE 3.58Å; E492-R504 IonicContact OE1-NH1 3.48Å; E492-R504 PolarHBondContact OE1-NH1 3.34Å; E492-R504 IonicContact OE2-NH1 2.71Å; E492-M532 HydrophobicContact CG-CE 4.23Å; E492-M532 HydrophobicContact CG-SD 3.67Å
493	R	95.9	Very high	96.3	Very high	58 Å²	58	36.7 Å²	36.7	22%	0.219	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-42.8	176.9	-68.3	-163.9	-172.4	98.2	8.3	112.2	S445 L446 V452 D489 L490 L496 Q497	S445-R493 VanDerWaalsContact C-CZ 3.49Å; S445-R493 VanDerWaalsContact C-NH1 3.29Å; S445-R493 PolarHBondContact O-NE 2.85Å; S445-R493 PolarHBondContact O-NH1 3.47Å; S445-R493 PolarHBondContact O-NH2 2.97Å; S445-R493 PolarHBondContact OG-NH1 3.39Å; L446-R493 VanDerWaalsContact CA-NH1 3.31Å; V452-R493 HydrophobicContact CB-CB 4.16Å; V452-R493 HydrophobicContact CG1-CB 4.07Å; D489-R493 PolarHBondContact O-N 2.98Å; D489-R493 VanDerWaalsContact O-N 3.12Å; L490-R493 PolarHBondContact O-N 3.32Å; R493-L496 PolarHBondContact O-N 2.78Å; R493-Q497 WeakPolarHBondContact O-CB 3.3Å; R493-Q497 PolarHBondContact O-N 2.92Å
494	L	97.8	Very high	96.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-47.1	176.4	-176.1	58.9	0	0	0	111.2	V452 P454 F460 L463 D464 L490 F491 E492 L496 Q497 R498	V452-L494 HydrophobicContact CG1-CB 3.85Å; V452-L494 HydrophobicContact CG1-CD1 4.12Å; P454-L494 HydrophobicContact CG-CD1 3.68Å; F460-L494 HydrophobicContact CD1-CD2 4.26Å; L463-L494 HydrophobicContact CD2-CD2 4.49Å; D464-L494 HydrophobicContact CB-CD1 4.35Å; D464-L494 HydrophobicContact CB-CD2 4.15Å; L490-L494 PolarHBondContact O-N 2.78Å; F491-L494 PolarHBondContact O-N 2.82Å; E492-L494 VanDerWaalsContact C-N 3.31Å; E492-L494 PolarHBondContact O-N 3.32Å; L494-L496 PolarHBondContact O-N 3.1Å; L494-Q497 PolarHBondContact O-N 2.7Å; L494-R498 HydrophobicContact CD1-CG 4.15Å; L494-R498 WeakPolarHBondContact O-CG 3.34Å; L494-R498 PolarHBondContact O-N 3.23Å
495	C	98.1	Very high	96.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-40.4	179.3	-69.5	0	0	0	0	111.9	F491 E492 R498 G499 Y500 F502 M532	F491-C495 WeakPolarHBondContact O-CB 3.31Å; F491-C495 PolarHBondContact O-N 2.94Å; F491-C495 PolarHBondContact O-SG 2.65Å; E492-C495 PolarHBondContact O-N 2.91Å; C495-R498 CarbonylContact O-C 3.25Å; C495-R498 PolarHBondContact O-N 2.98Å; C495-G499 CarbonylContact O-C 3.42Å; C495-G499 WeakPolarHBondContact O-CA 3.48Å; C495-G499 PolarHBondContact O-N 3.48Å; C495-Y500 PolarHBondContact O-N 2.8Å; C495-F502 HydrophobicContact CB-CB 4.39Å; C495-F502 HydrophobicContact CB-CD1 3.41Å; C495-F502 VanDerWaalsContact CB-CD1 3.41Å; C495-F502 HydrophobicContact CB-CE1 3.92Å; C495-F502 HydrophobicContact CB-CG 4.1Å; C495-M532 HydrophobicContact CB-CE 4.1Å; C495-M532 WeakPolarHBondContact SG-CE 3.45Å
496	L	96.5	Very high	95.8	Very high	102 Å²	102	32.7 Å²	32.7	53%	0.534	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-46.5	174.6	-70.3	171.9	0	0	0	111.4	E492 R493 L494 R498 G499 F502	E492-L496 WeakPolarHBondContact O-CB 3.33Å; E492-L496 VanDerWaalsContact O-CG 3.29Å; E492-L496 WeakPolarHBondContact O-CG 3.37Å; E492-L496 PolarHBondContact O-N 2.71Å; R493-L496 PolarHBondContact O-N 2.78Å; L494-L496 PolarHBondContact O-N 3.1Å; L496-R498 VanDerWaalsContact C-N 3.31Å; L496-R498 PolarHBondContact O-N 3.2Å; L496-G499 PolarHBondContact O-N 2.53Å; L496-F502 HydrophobicContact CD2-CE1 3.9Å; L496-F502 HydrophobicContact CD2-CZ 4.36Å; L496-F502 HydrophobicContact CG-CE1 3.95Å; L496-F502 HydrophobicContact CG-CZ 4.31Å
497	Q	95.8	Very high	95	Very high	59 Å²	59	33 Å²	33	28%	0.276	19%	0.19	S	C	.	.	H	α-helix	trans	-60.5	-38.4	177.5	177.1	178	-18.5	0	0	112.4	V452 R493 L494	V452-Q497 PolarHBondContact O-OE1 3.14Å; V452-Q497 VanDerWaalsContact O-OE1 3.1Å; R493-Q497 WeakPolarHBondContact O-CB 3.3Å; R493-Q497 PolarHBondContact O-N 2.92Å; L494-Q497 PolarHBondContact O-N 2.7Å
498	R	96.9	Very high	94.2	Very high	39 Å²	39	39 Å²	39	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-89.2	-5	178.9	-59.5	-58.6	-176.1	-147.9	-3.8	114.2	E61 D464 L494 C495 L496 Y500	E61-R498 VanDerWaalsContact CD-NH2 3.34Å; E61-R498 IonicContact OE1-CZ 3.36Å; E61-R498 IonicContact OE1-NH1 3.78Å; E61-R498 PolarHBondContact OE1-NH1 3.16Å; E61-R498 IonicContact OE1-NH2 2.84Å; E61-R498 PolarHBondContact OE1-NH2 3.47Å; E61-R498 IonicContact OE2-CZ 3.7Å; E61-R498 IonicContact OE2-NH1 3.59Å; E61-R498 PolarHBondContact OE2-NH1 3.42Å; E61-R498 IonicContact OE2-NH2 3.01Å; E61-R498 PolarHBondContact OE2-NH2 3.39Å; D464-R498 IonicContact OD1-NE 3.26Å; D464-R498 PolarHBondContact OD1-NE 3.42Å; D464-R498 VanDerWaalsContact OD1-NE 3.12Å; D464-R498 IonicContact OD2-CZ 3.01Å; D464-R498 IonicContact OD2-NE 2.7Å; D464-R498 PolarHBondContact OD2-NE 2.92Å; D464-R498 IonicContact OD2-NH2 2.71Å; D464-R498 PolarHBondContact OD2-NH2 2.91Å; L494-R498 HydrophobicContact CD1-CG 4.15Å; L494-R498 WeakPolarHBondContact O-CG 3.34Å; L494-R498 PolarHBondContact O-N 3.23Å; C495-R498 CarbonylContact O-C 3.25Å; C495-R498 PolarHBondContact O-N 2.98Å; L496-R498 VanDerWaalsContact C-N 3.31Å; L496-R498 PolarHBondContact O-N 3.2Å; R498-Y500 HydrophobicContact CB-CD1 4.19Å; R498-Y500 HydrophobicContact CB-CD2 3.82Å; R498-Y500 HydrophobicContact CB-CE1 3.9Å; R498-Y500 HydrophobicContact CB-CE2 3.5Å; R498-Y500 VanDerWaalsContact CB-CE2 3.5Å; R498-Y500 HydrophobicContact CB-CG 4.15Å; R498-Y500 HydrophobicContact CG-CE2 3.97Å
499	G	96.5	Very high	93.3	Very high	59 Å²	59	40 Å²	40	61%	0.608	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.2	30.2	-177.8	0	0	0	0	0	114.1	C495 L496	C495-G499 CarbonylContact O-C 3.42Å; C495-G499 WeakPolarHBondContact O-CA 3.48Å; C495-G499 PolarHBondContact O-N 3.48Å; L496-G499 PolarHBondContact O-N 2.53Å
500	Y	98.2	Very high	92.4	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.047	25%	0.248	C	C	.	.			trans	-84.6	130.6	175.3	-59.8	-26.3	0	0	0	110.9	L467 A468 K471 C495 R498 F502 F529	L467-Y500 HydrophobicContact CB-CE2 3.78Å; L467-Y500 HydrophobicContact CD1-CD2 4.43Å; L467-Y500 HydrophobicContact CD1-CE2 4.26Å; A468-Y500 WeakPolarHBondContact CA-OH 3.44Å; A468-Y500 PolarHBondContact N-OH 3.09Å; K471-Y500 HydrophobicContact CB-CE1 4.2Å; K471-Y500 HydrophobicContact CG-CD1 4.33Å; K471-Y500 HydrophobicContact CG-CE1 3.9Å; C495-Y500 PolarHBondContact O-N 2.8Å; R498-Y500 HydrophobicContact CB-CD1 4.19Å; R498-Y500 HydrophobicContact CB-CD2 3.82Å; R498-Y500 HydrophobicContact CB-CE1 3.9Å; R498-Y500 HydrophobicContact CB-CE2 3.5Å; R498-Y500 VanDerWaalsContact CB-CE2 3.5Å; R498-Y500 HydrophobicContact CB-CG 4.15Å; R498-Y500 HydrophobicContact CG-CE2 3.97Å; Y500-F502 WeakPolarHBondContact O-CD1 3.18Å; Y500-F502 PolarHBondContact O-N 3.08Å; Y500-F529 HydrophobicContact CD1-CD1 4.14Å; Y500-F529 HydrophobicContact CD1-CE1 4.33Å; Y500-F529 HydrophobicContact CD2-CD1 4.35Å; Y500-F529 HydrophobicContact CD2-CE1 4.28Å; Y500-F529 HydrophobicContact CE2-CE1 4.49Å; Y500-F529 AromaticContact CG-CD1 3.92Å; Y500-F529 HydrophobicContact CG-CD1 3.92Å; Y500-F529 HydrophobicContact CG-CE1 4.22Å
501	N	98.2	Very high	91.2	Very high	73 Å²	73	45.5 Å²	45.5	39%	0.39	26%	0.264	S	S	.	.			trans	-70.2	129.2	167.6	-72.7	49.4	0	0	0	109.5	R527 F529 V530	N501-R527 WeakPolarHBondContact CB-O 2.93Å; N501-F529 PolarHBondContact O-N 3.14Å; N501-V530 PolarHBondContact O-N 3.17Å; N501-V530 VanDerWaalsContact O-N 3.14Å
502	F	97.4	Very high	90.1	Very high	52 Å²	52	53.6 Å²	53.6	23%	0.228	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	159.7	179.7	66.7	-88.4	0	0	0	111.9	E492 C495 L496 Y500 V530 M532	E492-F502 HydrophobicContact CB-CE2 4.09Å; E492-F502 HydrophobicContact CB-CZ 3.97Å; E492-F502 HydrophobicContact CG-CD2 4.23Å; E492-F502 HydrophobicContact CG-CE2 3.53Å; E492-F502 HydrophobicContact CG-CZ 3.94Å; C495-F502 HydrophobicContact CB-CB 4.39Å; C495-F502 HydrophobicContact CB-CD1 3.41Å; C495-F502 VanDerWaalsContact CB-CD1 3.41Å; C495-F502 HydrophobicContact CB-CE1 3.92Å; C495-F502 HydrophobicContact CB-CG 4.1Å; L496-F502 HydrophobicContact CD2-CE1 3.9Å; L496-F502 HydrophobicContact CD2-CZ 4.36Å; L496-F502 HydrophobicContact CG-CE1 3.95Å; L496-F502 HydrophobicContact CG-CZ 4.31Å; Y500-F502 WeakPolarHBondContact O-CD1 3.18Å; Y500-F502 PolarHBondContact O-N 3.08Å; F502-V530 CarbonylContact C-O 3.55Å; F502-V530 WeakPolarHBondContact CA-O 3.49Å; F502-V530 HydrophobicContact CB-CB 3.94Å; F502-V530 HydrophobicContact CB-CG1 4.46Å; F502-M532 HydrophobicContact CB-CE 3.73Å; F502-M532 HydrophobicContact CD1-CE 4.33Å; F502-M532 HydrophobicContact CD2-CE 3.67Å; F502-M532 HydrophobicContact CD2-SD 4.05Å; F502-M532 HydrophobicContact CE2-CE 4.38Å; F502-M532 HydrophobicContact CG-CE 3.64Å
503	V	95.3	Very high	89.5	Confident	16 Å²	16	57.2 Å²	57.2	10%	0.097	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.6	166.8	-65.6	0	0	0	0	108.5	V517 F521 D528 V530 F531 M532	V503-V517 HydrophobicContact CB-CG1 3.59Å; V503-V517 HydrophobicContact CG1-CG1 3.98Å; V503-V517 HydrophobicContact CG2-CG1 3.79Å; V503-F521 HydrophobicContact CG2-CB 4.5Å; V503-F521 HydrophobicContact CG2-CD2 4.15Å; V503-D528 HydrophobicContact CG1-CB 4.46Å; V503-V530 PolarHBondContact N-O 3.31Å; V503-F531 HydrophobicContact CG2-CB 4.09Å; V503-F531 HydrophobicContact CG2-CD2 3.22Å; V503-F531 HydrophobicContact CG2-CE2 3.77Å; V503-F531 HydrophobicContact CG2-CG 3.81Å; V503-F531 CarbonylContact O-C 3.53Å; V503-F531 WeakPolarHBondContact O-CA 3.44Å; V503-M532 PolarHBondContact O-N 2.97Å
504	R	93.1	Very high	88.8	Confident	42 Å²	42	56.1 Å²	56.1	16%	0.158	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.4	177	172.7	178.1	173.7	164.3	-0.1	110.5	L488 D489 E492 D506 M532	L488-R504 HydrophobicContact CD1-CG 4.44Å; D489-R504 IonicContact OD1-CZ 3.14Å; D489-R504 IonicContact OD1-NH1 2.94Å; D489-R504 PolarHBondContact OD1-NH1 3.49Å; D489-R504 IonicContact OD1-NH2 3.33Å; D489-R504 PolarHBondContact OD1-NH2 3.3Å; E492-R504 VanDerWaalsContact CD-NH1 3.27Å; E492-R504 WeakPolarHBondContact OE1-CD 3.36Å; E492-R504 IonicContact OE1-CZ 2.79Å; E492-R504 IonicContact OE1-NE 3.58Å; E492-R504 IonicContact OE1-NH1 3.48Å; E492-R504 PolarHBondContact OE1-NH1 3.34Å; E492-R504 IonicContact OE2-NH1 2.71Å; R504-D506 IonicContact CZ-OD2 3.34Å; R504-D506 IonicContact NE-OD2 2.93Å; R504-D506 PolarHBondContact NE-OD2 2.95Å; R504-D506 IonicContact NH2-OD2 2.69Å; R504-D506 PolarHBondContact NH2-OD2 3.24Å; R504-D506 VanDerWaalsContact NH2-OD2 3.11Å; R504-M532 CarbonylContact C-O 3.51Å; R504-M532 WeakPolarHBondContact CA-O 3.4Å; R504-M532 HydrophobicContact CB-CB 4.16Å; R504-M532 HydrophobicContact CG-CB 4.3Å
505	L	89.5	Confident	87.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	113.6	172.3	-166.2	170.4	0	0	0	110.3	M509 R514 V518 F531 M532 L533 S534 A537 L542	L505-M509 HydrophobicContact CB-SD 4.13Å; L505-M509 HydrophobicContact CG-SD 4.1Å; L505-R514 HydrophobicContact CD1-CG 3.52Å; L505-R514 HydrophobicContact CG-CG 4.11Å; L505-V518 HydrophobicContact CD1-CG2 4.28Å; L505-F531 HydrophobicContact CB-CE1 3.75Å; L505-F531 HydrophobicContact CB-CZ 3.83Å; L505-F531 HydrophobicContact CD1-CE1 4.11Å; L505-F531 HydrophobicContact CD1-CZ 3.67Å; L505-F531 HydrophobicContact CG-CZ 4.45Å; L505-M532 PolarHBondContact N-O 3.09Å; L505-L533 HydrophobicContact CB-CD1 4.21Å; L505-L533 HydrophobicContact CD1-CD1 4.5Å; L505-L533 HydrophobicContact CD2-CD1 3.87Å; L505-L533 HydrophobicContact CG-CD1 4.42Å; L505-S534 PolarHBondContact O-N 3Å; L505-A537 HydrophobicContact CD2-CB 3.61Å; L505-L542 HydrophobicContact CD1-CD1 3.45Å; L505-L542 VanDerWaalsContact CD1-CD1 3.45Å; L505-L542 HydrophobicContact CD2-CD1 4.44Å
506	D	85.5	Confident	87.4	Confident	9 Å²	9	66 Å²	66	5%	0.048	36%	0.363	C	S	.	.			trans	-134.4	-171.8	170.5	65.9	31.4	0	0	0	111.5	T485 R504 T508 M509	T485-D506 HydrophobicContact CG2-CB 4.42Å; R504-D506 IonicContact CZ-OD2 3.34Å; R504-D506 IonicContact NE-OD2 2.93Å; R504-D506 PolarHBondContact NE-OD2 2.95Å; R504-D506 IonicContact NH2-OD2 2.69Å; R504-D506 PolarHBondContact NH2-OD2 3.24Å; R504-D506 VanDerWaalsContact NH2-OD2 3.11Å; D506-T508 PolarHBondContact O-N 3.44Å; D506-T508 VanDerWaalsContact O-N 3.16Å; D506-T508 WeakPolarHBondContact OD1-CB 3.47Å; D506-T508 PolarHBondContact OD1-N 3.45Å; D506-T508 PolarHBondContact OD1-OG1 2.96Å; D506-M509 PolarHBondContact O-N 2.77Å
507	G	78.4	Confident	87.1	Confident	72 Å²	72	62 Å²	62	74%	0.742	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-13.2	-176.6	0	0	0	0	0	115
508	T	79.6	Confident	86.8	Confident	125 Å²	125	60 Å²	60	77%	0.767	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.4	-178.3	70	0	0	0	0	112.9	D506	D506-T508 PolarHBondContact O-N 3.44Å; D506-T508 VanDerWaalsContact O-N 3.16Å; D506-T508 WeakPolarHBondContact OD1-CB 3.47Å; D506-T508 PolarHBondContact OD1-N 3.45Å; D506-T508 PolarHBondContact OD1-OG1 2.96Å
509	M	78.7	Confident	86.5	Confident	23 Å²	23	65.1 Å²	65.1	11%	0.113	36%	0.361	C	S	.	.	S	Bend	trans	-79.7	134.2	-176.6	-74.9	-172.6	78	0	0	113.8	L505 D506 K513 V517	L505-M509 HydrophobicContact CB-SD 4.13Å; L505-M509 HydrophobicContact CG-SD 4.1Å; D506-M509 PolarHBondContact O-N 2.77Å; M509-K513 HydrophobicContact CE-CB 3.98Å; M509-K513 HydrophobicContact CE-CD 3.76Å; M509-K513 HydrophobicContact CE-CG 3.56Å; M509-V517 HydrophobicContact CE-CB 4.37Å; M509-V517 HydrophobicContact CE-CG2 3.85Å
510	T	76.3	Confident	86.4	Confident	94 Å²	94	67 Å²	67	58%	0.577	35%	0.354	S	S	*	.			trans	-65.1	149.5	170.7	70.6	0	0	0	0	112	K512 K513 R514	T510-K512 VanDerWaalsContact C-N 3.29Å; T510-K512 PolarHBondContact O-N 2.82Å; T510-K513 PolarHBondContact O-N 2.88Å; T510-K513 VanDerWaalsContact O-N 3.17Å; T510-K513 WeakPolarHBondContact OG1-CB 3.21Å; T510-K513 PolarHBondContact OG1-N 2.71Å; T510-R514 PolarHBondContact O-N 2.98Å
511	I	72.3	Confident	86.3	Confident	66 Å²	66	66.5 Å²	66.5	34%	0.338	35%	0.352	S	S	.	.	H	α-helix	trans	-58	-39.8	-178.5	-60.5	169.6	0	0	0	111.8	R514 A515	I511-R514 WeakPolarHBondContact O-CB 3.46Å; I511-R514 PolarHBondContact O-N 3.22Å; I511-A515 PolarHBondContact O-N 3.45Å
512	K	75.8	Confident	86.1	Confident	170 Å²	170	64.9 Å²	64.9	74%	0.739	34%	0.343	S	S	*	.	H	α-helix	trans	-65.4	-42.6	178.2	-70.2	-176	-178.9	177.3	0	112.4	T510 R514	T510-K512 VanDerWaalsContact C-N 3.29Å; T510-K512 PolarHBondContact O-N 2.82Å; K512-R514 VanDerWaalsContact C-N 3.32Å
513	K	82.8	Confident	86	Confident	129 Å²	129	65.7 Å²	65.7	56%	0.561	35%	0.35	S	S	*	.	H	α-helix	trans	-66.7	-38.6	177.5	-166.1	-178.1	178	-178.8	0	110.6	M509 T510 A515 K516 V517	M509-K513 HydrophobicContact CE-CB 3.98Å; M509-K513 HydrophobicContact CE-CD 3.76Å; M509-K513 HydrophobicContact CE-CG 3.56Å; T510-K513 PolarHBondContact O-N 2.88Å; T510-K513 VanDerWaalsContact O-N 3.17Å; T510-K513 WeakPolarHBondContact OG1-CB 3.21Å; T510-K513 PolarHBondContact OG1-N 2.71Å; K513-A515 PolarHBondContact O-N 3.07Å; K513-K516 PolarHBondContact O-N 3.27Å; K513-V517 WeakPolarHBondContact O-CG2 3.17Å; K513-V517 PolarHBondContact O-N 3.01Å; K513-V517 VanDerWaalsContact O-N 3.12Å
514	R	81.7	Confident	85.8	Confident	35 Å²	35	70.7 Å²	70.7	13%	0.132	38%	0.383	C	S	.	.	H	α-helix	trans	-54.9	-51.7	176.7	-170.3	-177.5	-61	177.7	2.2	112.7	L505 T510 I511 K512 K516 V517 V518 C540	L505-R514 HydrophobicContact CD1-CG 3.52Å; L505-R514 HydrophobicContact CG-CG 4.11Å; T510-R514 PolarHBondContact O-N 2.98Å; I511-R514 WeakPolarHBondContact O-CB 3.46Å; I511-R514 PolarHBondContact O-N 3.22Å; K512-R514 VanDerWaalsContact C-N 3.32Å; R514-K516 PolarHBondContact O-N 3.23Å; R514-V517 PolarHBondContact O-N 3.49Å; R514-V518 WeakPolarHBondContact O-CG2 3.37Å; R514-V518 PolarHBondContact O-N 2.78Å; R514-V518 VanDerWaalsContact O-N 3.08Å; R514-C540 PolarHBondContact NH1-SG 2.9Å; R514-C540 VanDerWaalsContact NH1-SG 3.36Å
515	A	80.4	Confident	85.7	Confident	57 Å²	57	74.3 Å²	74.3	47%	0.471	41%	0.41	S	S	.	.	H	α-helix	trans	-59.9	-44.6	-178.1	0	0	0	0	0	112.3	I511 K513 V517 V518 E519	I511-A515 PolarHBondContact O-N 3.45Å; K513-A515 PolarHBondContact O-N 3.07Å; A515-V517 PolarHBondContact O-N 3.23Å; A515-V518 PolarHBondContact O-N 2.64Å; A515-E519 WeakPolarHBondContact O-CB 3.47Å; A515-E519 PolarHBondContact O-N 2.87Å
516	K	87	Confident	86	Confident	151 Å²	151	75.2 Å²	75.2	66%	0.657	42%	0.416	S	S	*	.	H	α-helix	trans	-61.9	-43.8	178.5	-69.3	-174.3	176.6	-171.6	0	112.6	K513 R514 V518 E519 Q520	K513-K516 PolarHBondContact O-N 3.27Å; R514-K516 PolarHBondContact O-N 3.23Å; K516-V518 VanDerWaalsContact C-N 3.33Å; K516-V518 PolarHBondContact O-N 3Å; K516-E519 PolarHBondContact O-N 2.92Å; K516-Q520 VanDerWaalsContact O-CB 3.29Å; K516-Q520 WeakPolarHBondContact O-CB 3.33Å; K516-Q520 PolarHBondContact O-N 2.89Å
517	V	90.2	Very high	86.4	Confident	19 Å²	19	84.7 Å²	84.7	12%	0.115	45%	0.451	C	S	.	.	H	α-helix	trans	-65.1	-39.4	179.7	169.2	0	0	0	0	111.3	V503 M509 K513 R514 A515 F521 F531	V503-V517 HydrophobicContact CB-CG1 3.59Å; V503-V517 HydrophobicContact CG1-CG1 3.98Å; V503-V517 HydrophobicContact CG2-CG1 3.79Å; M509-V517 HydrophobicContact CE-CB 4.37Å; M509-V517 HydrophobicContact CE-CG2 3.85Å; K513-V517 WeakPolarHBondContact O-CG2 3.17Å; K513-V517 PolarHBondContact O-N 3.01Å; K513-V517 VanDerWaalsContact O-N 3.12Å; R514-V517 PolarHBondContact O-N 3.49Å; A515-V517 PolarHBondContact O-N 3.23Å; V517-F521 WeakPolarHBondContact O-CB 3.5Å; V517-F521 PolarHBondContact O-N 3.45Å; V517-F531 HydrophobicContact CG1-CE2 3.93Å; V517-F531 HydrophobicContact CG1-CZ 4.48Å
518	V	89.9	Confident	87.2	Confident	17 Å²	17	81.8 Å²	81.8	10%	0.103	42%	0.419	C	S	.	.	H	α-helix	trans	-67.1	-43.4	176.5	171.9	0	0	0	0	111.5	L505 R514 A515 K516 F521 N522 F531 L542 N543 L544	L505-V518 HydrophobicContact CD1-CG2 4.28Å; R514-V518 WeakPolarHBondContact O-CG2 3.37Å; R514-V518 PolarHBondContact O-N 2.78Å; R514-V518 VanDerWaalsContact O-N 3.08Å; A515-V518 PolarHBondContact O-N 2.64Å; K516-V518 VanDerWaalsContact C-N 3.33Å; K516-V518 PolarHBondContact O-N 3Å; V518-F521 PolarHBondContact O-N 3.32Å; V518-N522 WeakPolarHBondContact O-CB 3.39Å; V518-N522 PolarHBondContact O-N 3.27Å; V518-N522 PolarHBondContact O-ND2 3.28Å; V518-N522 VanDerWaalsContact O-ND2 3.1Å; V518-F531 HydrophobicContact CG2-CE2 4.3Å; V518-F531 HydrophobicContact CG2-CZ 4.19Å; V518-L542 HydrophobicContact CG2-CD2 4.22Å; V518-N543 VanDerWaalsContact CG1-O 3.26Å; V518-N543 WeakPolarHBondContact CG1-O 2.78Å; V518-L544 HydrophobicContact CG1-CD2 4.34Å; V518-L544 HydrophobicContact CG2-CD2 4.31Å
519	E	89.9	Confident	88.1	Confident	147 Å²	147	76.3 Å²	76.3	69%	0.687	38%	0.384	S	S	*	.	H	α-helix	trans	-61.2	-49.6	175.9	-177.3	174.2	-156.7	0	0	111.4	A515 K516 F521 N522 D523	A515-E519 WeakPolarHBondContact O-CB 3.47Å; A515-E519 PolarHBondContact O-N 2.87Å; K516-E519 PolarHBondContact O-N 2.92Å; E519-F521 VanDerWaalsContact C-N 3.33Å; E519-F521 PolarHBondContact O-N 3.43Å; E519-N522 PolarHBondContact O-N 3.07Å; E519-D523 PolarHBondContact O-N 3.21Å; E519-D523 VanDerWaalsContact O-N 3.12Å
520	Q	94.2	Very high	89.1	Confident	99 Å²	99	75.2 Å²	75.2	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-58.8	-42.8	176.7	-176.8	-176.1	-27.9	0	0	111.8	K516 N522 D523 S526 D528	K516-Q520 VanDerWaalsContact O-CB 3.29Å; K516-Q520 WeakPolarHBondContact O-CB 3.33Å; K516-Q520 PolarHBondContact O-N 2.89Å; Q520-N522 PolarHBondContact O-N 3.01Å; Q520-D523 WeakPolarHBondContact O-CB 3.37Å; Q520-D523 PolarHBondContact O-N 2.84Å; Q520-S526 WeakPolarHBondContact O-CB 3.41Å; Q520-S526 PolarHBondContact O-OG 3.25Å; Q520-D528 WeakPolarHBondContact CG-OD2 3.41Å; Q520-D528 PolarHBondContact NE2-OD2 3.23Å
521	F	95.5	Very high	90.1	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-67.1	-36.7	179.4	-176.6	-105.5	0	0	0	112.8	K477 V479 V503 V517 V518 E519 D523 D528 F531 L544 A547	K477-F521 HydrophobicContact CB-CE2 4.05Å; K477-F521 HydrophobicContact CB-CZ 3.73Å; K477-F521 HydrophobicContact CD-CD2 4.35Å; K477-F521 HydrophobicContact CD-CE2 3.95Å; K477-F521 HydrophobicContact CD-CZ 4.16Å; K477-F521 PolarHBondContact NZ-O 3.27Å; V479-F521 HydrophobicContact CG2-CE1 4.18Å; V479-F521 HydrophobicContact CG2-CZ 4.38Å; V503-F521 HydrophobicContact CG2-CB 4.5Å; V503-F521 HydrophobicContact CG2-CD2 4.15Å; V517-F521 WeakPolarHBondContact O-CB 3.5Å; V517-F521 PolarHBondContact O-N 3.45Å; V518-F521 PolarHBondContact O-N 3.32Å; E519-F521 VanDerWaalsContact C-N 3.33Å; E519-F521 PolarHBondContact O-N 3.43Å; F521-D523 VanDerWaalsContact C-N 3.28Å; F521-D523 PolarHBondContact O-N 3.14Å; F521-D528 HydrophobicContact CD2-CB 3.95Å; F521-F531 HydrophobicContact CB-CD2 3.8Å; F521-F531 HydrophobicContact CB-CE2 4.19Å; F521-F531 HydrophobicContact CD1-CB 4.19Å; F521-F531 AromaticContact CD1-CD2 3.69Å; F521-F531 HydrophobicContact CD1-CD2 3.69Å; F521-F531 HydrophobicContact CD1-CE2 4.5Å; F521-F531 HydrophobicContact CD1-CG 4.28Å; F521-F531 HydrophobicContact CD2-CB 3.98Å; F521-F531 AromaticContact CD2-CD2 3.9Å; F521-F531 HydrophobicContact CD2-CD2 3.9Å; F521-F531 HydrophobicContact CD2-CG 4.46Å; F521-F531 HydrophobicContact CE1-CB 3.84Å; F521-F531 HydrophobicContact CE1-CD2 4.19Å; F521-F531 HydrophobicContact CE1-CG 4.33Å; F521-F531 HydrophobicContact CE2-CB 3.63Å; F521-F531 HydrophobicContact CE2-CD2 4.4Å; F521-F531 HydrophobicContact CG-CB 4.25Å; F521-F531 AromaticContact CG-CD2 3.51Å; F521-F531 HydrophobicContact CG-CD2 3.51Å; F521-F531 HydrophobicContact CG-CE2 4.34Å; F521-F531 HydrophobicContact CG-CG 4.34Å; F521-F531 HydrophobicContact CZ-CB 3.54Å; F521-F531 HydrophobicContact CZ-CG 4.46Å; F521-L544 HydrophobicContact CD1-CD2 4.32Å; F521-A547 HydrophobicContact CE1-CB 3.73Å; F521-A547 HydrophobicContact CZ-CB 3.88Å
522	N	94.3	Very high	91.2	Very high	39 Å²	39	67.6 Å²	67.6	21%	0.209	34%	0.335	C	S	.	.	H	α-helix	trans	-73.7	-17.9	177.9	-73.4	-37.6	0	0	0	113.6	V518 E519 Q520 P524 N543 I545 G546	V518-N522 WeakPolarHBondContact O-CB 3.39Å; V518-N522 PolarHBondContact O-N 3.27Å; V518-N522 PolarHBondContact O-ND2 3.28Å; V518-N522 VanDerWaalsContact O-ND2 3.1Å; E519-N522 PolarHBondContact O-N 3.07Å; Q520-N522 PolarHBondContact O-N 3.01Å; N522-P524 VanDerWaalsContact O-CD 3.31Å; N522-P524 WeakPolarHBondContact O-CD 3.32Å; N522-N543 PolarHBondContact ND2-O 3Å; N522-I545 PolarHBondContact OD1-N 2.97Å; N522-G546 PolarHBondContact OD1-N 3.48Å
523	D	94.6	Very high	92	Very high	69 Å²	69	59.5 Å²	59.5	37%	0.369	30%	0.3	S	S	.	.			trans	-65.2	119.2	173.4	-171.2	-23	0	0	0	110.5	K477 E519 Q520 F521 T525 S526	K477-D523 PolarHBondContact NZ-O 3.11Å; E519-D523 PolarHBondContact O-N 3.21Å; E519-D523 VanDerWaalsContact O-N 3.12Å; Q520-D523 WeakPolarHBondContact O-CB 3.37Å; Q520-D523 PolarHBondContact O-N 2.84Å; F521-D523 VanDerWaalsContact C-N 3.28Å; F521-D523 PolarHBondContact O-N 3.14Å; D523-T525 PolarHBondContact O-N 3.14Å; D523-T525 VanDerWaalsContact O-N 3.14Å; D523-T525 WeakPolarHBondContact OD1-CB 3.14Å; D523-T525 PolarHBondContact OD1-N 3.17Å; D523-T525 PolarHBondContact OD1-OG1 3.3Å; D523-T525 PolarHBondContact OD2-OG1 3.13Å; D523-T525 VanDerWaalsContact OD2-OG1 3.12Å; D523-S526 WeakPolarHBondContact O-CB 3.43Å; D523-S526 PolarHBondContact O-N 3Å
524	P	91.4	Very high	92.3	Very high	122 Å²	122	53.8 Å²	53.8	79%	0.792	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.4	176.7	-23.6	34.8	0	0	0	114.1	N522	N522-P524 VanDerWaalsContact O-CD 3.31Å; N522-P524 WeakPolarHBondContact O-CD 3.32Å
525	T	92.4	Very high	92.3	Very high	117 Å²	117	52.8 Å²	52.8	72%	0.718	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.5	178.4	72.1	0	0	0	0	113.3	D523	D523-T525 PolarHBondContact O-N 3.14Å; D523-T525 VanDerWaalsContact O-N 3.14Å; D523-T525 WeakPolarHBondContact OD1-CB 3.14Å; D523-T525 PolarHBondContact OD1-N 3.17Å; D523-T525 PolarHBondContact OD1-OG1 3.3Å; D523-T525 PolarHBondContact OD2-OG1 3.13Å; D523-T525 VanDerWaalsContact OD2-OG1 3.12Å
526	S	94.5	Very high	91.9	Very high	20 Å²	20	59.2 Å²	59.2	14%	0.14	29%	0.292	C	S	.	.			trans	-63.5	139.4	176.6	166.4	0	0	0	0	111.4	Q520 D523 D528	Q520-S526 WeakPolarHBondContact O-CB 3.41Å; Q520-S526 PolarHBondContact O-OG 3.25Å; D523-S526 WeakPolarHBondContact O-CB 3.43Å; D523-S526 PolarHBondContact O-N 3Å; S526-D528 PolarHBondContact O-N 2.83Å; S526-D528 WeakPolarHBondContact OG-CB 3.14Å; S526-D528 PolarHBondContact OG-N 2.99Å; S526-D528 PolarHBondContact OG-OD2 3.22Å
527	R	93.9	Very high	90.7	Very high	207 Å²	207	52.6 Å²	52.6	78%	0.781	27%	0.265	S	S	*	.			trans	-76.8	-9.1	175.8	-62.7	-173.2	178.6	-177	0.1	113.2	N501 F529	N501-R527 WeakPolarHBondContact CB-O 2.93Å; R527-F529 PolarHBondContact O-N 2.93Å
528	D	96.9	Very high	89	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.064	26%	0.261	C	S	.	.			trans	-63.7	121.4	-179.3	-57.7	-36.7	0	0	0	109.8	K477 V503 Q520 F521 S526	K477-D528 WeakPolarHBondContact CD-O 3.34Å; K477-D528 WeakPolarHBondContact CE-O 3.27Å; V503-D528 HydrophobicContact CG1-CB 4.46Å; Q520-D528 WeakPolarHBondContact CG-OD2 3.41Å; Q520-D528 PolarHBondContact NE2-OD2 3.23Å; F521-D528 HydrophobicContact CD2-CB 3.95Å; S526-D528 PolarHBondContact O-N 2.83Å; S526-D528 WeakPolarHBondContact OG-CB 3.14Å; S526-D528 PolarHBondContact OG-N 2.99Å; S526-D528 PolarHBondContact OG-OD2 3.22Å
529	F	98.2	Very high	87.5	Confident	9 Å²	9	52.5 Å²	52.5	4%	0.039	27%	0.272	C	S	.	.			trans	-99.7	-40.5	-177.4	173.8	-129.3	0	0	0	111.3	L467 I470 K471 D476 V478 Y500 N501 R527	L467-F529 HydrophobicContact CB-CE1 4.45Å; L467-F529 HydrophobicContact CD2-CE1 4.23Å; L467-F529 HydrophobicContact CD2-CZ 4.4Å; I470-F529 HydrophobicContact CB-CE2 4.43Å; I470-F529 HydrophobicContact CB-CZ 4.08Å; I470-F529 HydrophobicContact CG2-CE2 3.66Å; I470-F529 HydrophobicContact CG2-CZ 3.81Å; K471-F529 HydrophobicContact CB-CE1 3.93Å; K471-F529 HydrophobicContact CB-CE2 4.48Å; K471-F529 HydrophobicContact CB-CZ 3.82Å; K471-F529 HydrophobicContact CD-CD1 4.14Å; K471-F529 HydrophobicContact CD-CD2 4.32Å; K471-F529 HydrophobicContact CD-CE1 4.19Å; K471-F529 HydrophobicContact CD-CE2 4.35Å; K471-F529 HydrophobicContact CD-CG 4.22Å; K471-F529 HydrophobicContact CD-CZ 4.3Å; K471-F529 HydrophobicContact CG-CE1 4.42Å; D476-F529 WeakPolarHBondContact O-CD2 3.25Å; D476-F529 VanDerWaalsContact O-CE2 3.25Å; D476-F529 WeakPolarHBondContact O-CE2 3.28Å; V478-F529 HydrophobicContact CG2-CE2 3.91Å; V478-F529 HydrophobicContact CG2-CZ 3.98Å; V478-F529 PolarHBondContact N-O 2.55Å; Y500-F529 HydrophobicContact CD1-CD1 4.14Å; Y500-F529 HydrophobicContact CD1-CE1 4.33Å; Y500-F529 HydrophobicContact CD2-CD1 4.35Å; Y500-F529 HydrophobicContact CD2-CE1 4.28Å; Y500-F529 HydrophobicContact CE2-CE1 4.49Å; Y500-F529 AromaticContact CG-CD1 3.92Å; Y500-F529 HydrophobicContact CG-CD1 3.92Å; Y500-F529 HydrophobicContact CG-CE1 4.22Å; N501-F529 PolarHBondContact O-N 3.14Å; R527-F529 PolarHBondContact O-N 2.93Å
530	V	98.7	Very high	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	132.5	-175.2	-179.9	0	0	0	0	111.3	L467 V478 L480 N501 F502 V503 M532	L467-V530 HydrophobicContact CD2-CG2 4.19Å; V478-V530 CarbonylContact O-C 3.59Å; V478-V530 WeakPolarHBondContact O-CA 3.24Å; L480-V530 HydrophobicContact CD1-CG1 3.56Å; L480-V530 HydrophobicContact CG-CG1 3.74Å; N501-V530 PolarHBondContact O-N 3.17Å; N501-V530 VanDerWaalsContact O-N 3.14Å; F502-V530 CarbonylContact C-O 3.55Å; F502-V530 WeakPolarHBondContact CA-O 3.49Å; F502-V530 HydrophobicContact CB-CB 3.94Å; F502-V530 HydrophobicContact CB-CG1 4.46Å; V503-V530 PolarHBondContact N-O 3.31Å; V530-M532 HydrophobicContact CG1-CE 4.11Å; V530-M532 HydrophobicContact CG1-CG 4.04Å
531	F	97.2	Very high	85.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.1	169.3	-166.6	-70.9	0	0	0	109.8	V478 V479 L480 V503 L505 V517 V518 F521 L533 L544	V478-F531 PolarHBondContact O-N 2.92Å; V479-F531 CarbonylContact C-O 3.59Å; V479-F531 VanDerWaalsContact CA-O 3.3Å; V479-F531 WeakPolarHBondContact CA-O 3.25Å; V479-F531 HydrophobicContact CG2-CB 4.18Å; L480-F531 PolarHBondContact N-O 3.39Å; V503-F531 HydrophobicContact CG2-CB 4.09Å; V503-F531 HydrophobicContact CG2-CD2 3.22Å; V503-F531 HydrophobicContact CG2-CE2 3.77Å; V503-F531 HydrophobicContact CG2-CG 3.81Å; V503-F531 CarbonylContact O-C 3.53Å; V503-F531 WeakPolarHBondContact O-CA 3.44Å; L505-F531 HydrophobicContact CB-CE1 3.75Å; L505-F531 HydrophobicContact CB-CZ 3.83Å; L505-F531 HydrophobicContact CD1-CE1 4.11Å; L505-F531 HydrophobicContact CD1-CZ 3.67Å; L505-F531 HydrophobicContact CG-CZ 4.45Å; V517-F531 HydrophobicContact CG1-CE2 3.93Å; V517-F531 HydrophobicContact CG1-CZ 4.48Å; V518-F531 HydrophobicContact CG2-CE2 4.3Å; V518-F531 HydrophobicContact CG2-CZ 4.19Å; F521-F531 HydrophobicContact CB-CD2 3.8Å; F521-F531 HydrophobicContact CB-CE2 4.19Å; F521-F531 HydrophobicContact CD1-CB 4.19Å; F521-F531 AromaticContact CD1-CD2 3.69Å; F521-F531 HydrophobicContact CD1-CD2 3.69Å; F521-F531 HydrophobicContact CD1-CE2 4.5Å; F521-F531 HydrophobicContact CD1-CG 4.28Å; F521-F531 HydrophobicContact CD2-CB 3.98Å; F521-F531 AromaticContact CD2-CD2 3.9Å; F521-F531 HydrophobicContact CD2-CD2 3.9Å; F521-F531 HydrophobicContact CD2-CG 4.46Å; F521-F531 HydrophobicContact CE1-CB 3.84Å; F521-F531 HydrophobicContact CE1-CD2 4.19Å; F521-F531 HydrophobicContact CE1-CG 4.33Å; F521-F531 HydrophobicContact CE2-CB 3.63Å; F521-F531 HydrophobicContact CE2-CD2 4.4Å; F521-F531 HydrophobicContact CG-CB 4.25Å; F521-F531 AromaticContact CG-CD2 3.51Å; F521-F531 HydrophobicContact CG-CD2 3.51Å; F521-F531 HydrophobicContact CG-CE2 4.34Å; F521-F531 HydrophobicContact CG-CG 4.34Å; F521-F531 HydrophobicContact CZ-CB 3.54Å; F521-F531 HydrophobicContact CZ-CG 4.46Å; F531-L533 HydrophobicContact CD1-CB 4.2Å; F531-L533 HydrophobicContact CE1-CB 4.18Å; F531-L533 HydrophobicContact CE1-CD1 4.37Å; F531-L544 HydrophobicContact CD1-CD1 4.07Å; F531-L544 HydrophobicContact CD1-CD2 4.35Å; F531-L544 HydrophobicContact CD2-CD2 3.99Å; F531-L544 HydrophobicContact CE1-CD1 4.05Å; F531-L544 HydrophobicContact CE1-CD2 4.08Å; F531-L544 HydrophobicContact CE2-CD2 3.68Å; F531-L544 HydrophobicContact CG-CD2 4.32Å; F531-L544 HydrophobicContact CZ-CD2 3.73Å
532	M	96.3	Very high	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.3	178.5	-59.2	172.4	-166.7	0	0	109.6	L480 L488 F491 E492 C495 F502 V503 R504 L505 V530	L480-M532 WeakPolarHBondContact O-CA 3.49Å; L488-M532 HydrophobicContact CD2-CB 4.29Å; F491-M532 VanDerWaalsContact C-CE 3.49Å; F491-M532 HydrophobicContact CB-CE 3.7Å; F491-M532 HydrophobicContact CB-CG 4.33Å; F491-M532 HydrophobicContact CB-SD 3.7Å; F491-M532 HydrophobicContact CD2-CG 4.45Å; F491-M532 WeakPolarHBondContact O-CE 3.36Å; E492-M532 HydrophobicContact CG-CE 4.23Å; E492-M532 HydrophobicContact CG-SD 3.67Å; C495-M532 HydrophobicContact CB-CE 4.1Å; C495-M532 WeakPolarHBondContact SG-CE 3.45Å; F502-M532 HydrophobicContact CB-CE 3.73Å; F502-M532 HydrophobicContact CD1-CE 4.33Å; F502-M532 HydrophobicContact CD2-CE 3.67Å; F502-M532 HydrophobicContact CD2-SD 4.05Å; F502-M532 HydrophobicContact CE2-CE 4.38Å; F502-M532 HydrophobicContact CG-CE 3.64Å; V503-M532 PolarHBondContact O-N 2.97Å; R504-M532 CarbonylContact C-O 3.51Å; R504-M532 WeakPolarHBondContact CA-O 3.4Å; R504-M532 HydrophobicContact CB-CB 4.16Å; R504-M532 HydrophobicContact CG-CB 4.3Å; L505-M532 PolarHBondContact N-O 3.09Å; V530-M532 HydrophobicContact CG1-CE 4.11Å; V530-M532 HydrophobicContact CG1-CG 4.04Å
533	L	92.6	Very high	84.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.8	-176.7	178.2	65.1	0	0	0	109.7	L480 I481 S482 L505 F531 A537 L542 L544	L480-L533 PolarHBondContact O-N 2.82Å; I481-L533 WeakPolarHBondContact CA-O 3.42Å; I481-L533 HydrophobicContact CD1-CD2 4.13Å; I481-L533 HydrophobicContact CG1-CB 4.23Å; I481-L533 HydrophobicContact CG1-CD2 4.35Å; S482-L533 PolarHBondContact N-O 3.02Å; L505-L533 HydrophobicContact CB-CD1 4.21Å; L505-L533 HydrophobicContact CD1-CD1 4.5Å; L505-L533 HydrophobicContact CD2-CD1 3.87Å; L505-L533 HydrophobicContact CG-CD1 4.42Å; F531-L533 HydrophobicContact CD1-CB 4.2Å; F531-L533 HydrophobicContact CE1-CB 4.18Å; F531-L533 HydrophobicContact CE1-CD1 4.37Å; L533-A537 HydrophobicContact CD1-CB 3.98Å; L533-L542 HydrophobicContact CD1-CD1 4.08Å; L533-L544 HydrophobicContact CD2-CD1 4.16Å
534	S	89.6	Confident	84.1	Confident	10 Å²	10	39.5 Å²	39.5	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	136.3	167	70.2	0	0	0	0	109.5	S482 L505 K536 A537 G538	S482-S534 CarbonylContact O-C 3.56Å; S482-S534 WeakPolarHBondContact O-CA 3.35Å; L505-S534 PolarHBondContact O-N 3Å; S534-K536 PolarHBondContact O-N 3.44Å; S534-K536 VanDerWaalsContact O-N 3.15Å; S534-A537 CarbonylContact O-C 3.58Å; S534-A537 WeakPolarHBondContact O-CA 3.43Å; S534-A537 PolarHBondContact O-N 3.29Å; S534-A537 VanDerWaalsContact OG-CB 3.22Å; S534-A537 WeakPolarHBondContact OG-CB 3.31Å; S534-A537 PolarHBondContact OG-N 2.8Å; S534-G538 PolarHBondContact O-N 3.47Å
535	S	79.9	Confident	84.2	Confident	13 Å²	13	35.6 Å²	35.6	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-50.7	-42.4	-178.3	179.3	0	0	0	0	112.3	S482 N483 A537 G538	S482-S535 PolarHBondContact O-N 3.12Å; N483-S535 WeakPolarHBondContact OD1-CB 2.98Å; N483-S535 PolarHBondContact OD1-OG 3.48Å; S535-A537 PolarHBondContact O-N 2.97Å; S535-G538 WeakPolarHBondContact O-CA 3.37Å; S535-G538 PolarHBondContact O-N 3.06Å
536	K	72.2	Confident	84.3	Confident	192 Å²	192	31.2 Å²	31.2	84%	0.835	16%	0.163	S	C	*	.	H	α-helix	trans	-63.5	-39.1	175.4	-66	-175.4	179.2	-179.9	0	113.6	S534 G538 G539	S534-K536 PolarHBondContact O-N 3.44Å; S534-K536 VanDerWaalsContact O-N 3.15Å; K536-G538 PolarHBondContact O-N 3.44Å; K536-G539 PolarHBondContact O-N 2.89Å
537	A	62.2	Low	84.5	Confident	12 Å²	12	30.3 Å²	30.3	10%	0.099	16%	0.157	C	C	.	.	H	α-helix	trans	-70.7	-23.8	173.1	0	0	0	0	0	111.4	L505 L533 S534 S535 G539 C540	L505-A537 HydrophobicContact CD2-CB 3.61Å; L533-A537 HydrophobicContact CD1-CB 3.98Å; S534-A537 CarbonylContact O-C 3.58Å; S534-A537 WeakPolarHBondContact O-CA 3.43Å; S534-A537 PolarHBondContact O-N 3.29Å; S534-A537 VanDerWaalsContact OG-CB 3.22Å; S534-A537 WeakPolarHBondContact OG-CB 3.31Å; S534-A537 PolarHBondContact OG-N 2.8Å; S535-A537 PolarHBondContact O-N 2.97Å; A537-G539 PolarHBondContact O-N 2.95Å; A537-C540 PolarHBondContact O-N 2.93Å; A537-C540 PolarHBondContact O-SG 3.03Å
538	G	54.4	Low	84.6	Confident	3 Å²	3	20.7 Å²	20.7	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-19.6	174.3	0	0	0	0	0	115.1	S534 S535 K536 C540 R568	S534-G538 PolarHBondContact O-N 3.47Å; S535-G538 WeakPolarHBondContact O-CA 3.37Å; S535-G538 PolarHBondContact O-N 3.06Å; K536-G538 PolarHBondContact O-N 3.44Å; G538-C540 PolarHBondContact O-N 2.99Å; G538-C540 VanDerWaalsContact O-N 3.13Å; G538-R568 VanDerWaalsContact O-CZ 3.31Å; G538-R568 PolarHBondContact O-NE 3.06Å; G538-R568 PolarHBondContact O-NH2 3.49Å
539	G	59.5	Low	84.7	Confident	32 Å²	32	20.4 Å²	20.4	33%	0.33	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.6	173.2	0	0	0	0	0	114.5	K536 A537 G541 R568	K536-G539 PolarHBondContact O-N 2.89Å; A537-G539 PolarHBondContact O-N 2.95Å; G539-G541 VanDerWaalsContact C-N 3.32Å; G539-G541 PolarHBondContact O-N 3.43Å; G539-G541 VanDerWaalsContact O-N 3.15Å; G539-R568 PolarHBondContact O-NH2 2.91Å
540	C	63.8	Low	84.6	Confident	8 Å²	8	20 Å²	20	5%	0.054	12%	0.117	C	C	.	.	S	Bend	trans	-86	33.2	-173.4	72.9	0	0	0	0	116.8	S170 L171 R514 A537 G538 L542	S170-C540 WeakPolarHBondContact OG-CB 3.21Å; L171-C540 WeakPolarHBondContact CD2-O 3.48Å; R514-C540 PolarHBondContact NH1-SG 2.9Å; R514-C540 VanDerWaalsContact NH1-SG 3.36Å; A537-C540 PolarHBondContact O-N 2.93Å; A537-C540 PolarHBondContact O-SG 3.03Å; G538-C540 PolarHBondContact O-N 2.99Å; G538-C540 VanDerWaalsContact O-N 3.13Å; C540-L542 PolarHBondContact O-N 3.23Å; C540-L542 VanDerWaalsContact O-N 3.09Å; C540-L542 WeakPolarHBondContact SG-CD2 3.47Å; C540-L542 WeakPolarHBondContact SG-CG 3.28Å
541	G	71.2	Confident	84.6	Confident	8 Å²	8	20 Å²	20	8%	0.082	12%	0.117	C	C	.	.			trans	73.8	5.8	165.6	0	0	0	0	0	116.1	L171 G539 R568 R571	L171-G541 VanDerWaalsContact CD2-CA 3.44Å; G539-G541 VanDerWaalsContact C-N 3.32Å; G539-G541 PolarHBondContact O-N 3.43Å; G539-G541 VanDerWaalsContact O-N 3.15Å; G541-R568 VanDerWaalsContact C-NH1 3.3Å; G541-R568 VanDerWaalsContact N-CZ 3.31Å; G541-R568 VanDerWaalsContact N-NH2 3.14Å; G541-R571 PolarHBondContact O-NH1 2.98Å
542	L	80.8	Confident	84.6	Confident	17 Å²	17	20.2 Å²	20.2	9%	0.089	12%	0.118	C	C	.	.			trans	-58.5	147.8	-165.5	-59.7	177.5	0	0	0	113.6	L505 V518 L533 C540 L544 R568 R571	L505-L542 HydrophobicContact CD1-CD1 3.45Å; L505-L542 VanDerWaalsContact CD1-CD1 3.45Å; L505-L542 HydrophobicContact CD2-CD1 4.44Å; V518-L542 HydrophobicContact CG2-CD2 4.22Å; L533-L542 HydrophobicContact CD1-CD1 4.08Å; C540-L542 PolarHBondContact O-N 3.23Å; C540-L542 VanDerWaalsContact O-N 3.09Å; C540-L542 WeakPolarHBondContact SG-CD2 3.47Å; C540-L542 WeakPolarHBondContact SG-CG 3.28Å; L542-L544 HydrophobicContact CB-CG 4.32Å; L542-R568 WeakPolarHBondContact O-CD 3.2Å; L542-R571 PolarHBondContact O-NH1 3.43Å
543	N	88	Confident	84.6	Confident	47 Å²	47	20.2 Å²	20.2	25%	0.251	12%	0.118	S	C	.	.			trans	-105.8	109.5	171.8	-173.2	5	0	0	0	108.8	V518 N522 I545	V518-N543 VanDerWaalsContact CG1-O 3.26Å; V518-N543 WeakPolarHBondContact CG1-O 2.78Å; N522-N543 PolarHBondContact ND2-O 3Å; N543-I545 VanDerWaalsContact OD1-CG1 3.27Å; N543-I545 WeakPolarHBondContact OD1-CG1 3.37Å; N543-I545 WeakPolarHBondContact OD1-CG2 3.44Å; N543-I545 PolarHBondContact OD1-N 3.28Å
544	L	93.3	Very high	84.8	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.			trans	-120.1	33.8	-178.6	-59.2	175.7	0	0	0	111.2	V479 V518 F521 F531 L533 L542 G546 A547 R568 V569	V479-L544 HydrophobicContact CG1-CD1 4.16Å; V479-L544 HydrophobicContact CG2-CB 4.25Å; V479-L544 HydrophobicContact CG2-CD1 4.12Å; V518-L544 HydrophobicContact CG1-CD2 4.34Å; V518-L544 HydrophobicContact CG2-CD2 4.31Å; F521-L544 HydrophobicContact CD1-CD2 4.32Å; F531-L544 HydrophobicContact CD1-CD1 4.07Å; F531-L544 HydrophobicContact CD1-CD2 4.35Å; F531-L544 HydrophobicContact CD2-CD2 3.99Å; F531-L544 HydrophobicContact CE1-CD1 4.05Å; F531-L544 HydrophobicContact CE1-CD2 4.08Å; F531-L544 HydrophobicContact CE2-CD2 3.68Å; F531-L544 HydrophobicContact CG-CD2 4.32Å; F531-L544 HydrophobicContact CZ-CD2 3.73Å; L533-L544 HydrophobicContact CD2-CD1 4.16Å; L542-L544 HydrophobicContact CB-CG 4.32Å; L544-G546 PolarHBondContact O-N 3.27Å; L544-G546 VanDerWaalsContact O-N 3.1Å; L544-A547 PolarHBondContact O-N 2.96Å; L544-R568 CarbonylContact C-O 3.52Å; L544-R568 WeakPolarHBondContact CA-O 3Å; L544-R568 HydrophobicContact CD1-CB 4.21Å; L544-R568 HydrophobicContact CG-CB 4.43Å; L544-R568 PolarHBondContact N-O 2.99Å; L544-V569 HydrophobicContact CB-CG2 4.38Å
545	I	93.6	Very high	84.9	Confident	41 Å²	41	20.4 Å²	20.4	21%	0.21	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.6	-180	57.6	175	0	0	0	114.4	N522 N543 A547 R571 Q574	N522-I545 PolarHBondContact OD1-N 2.97Å; N543-I545 VanDerWaalsContact OD1-CG1 3.27Å; N543-I545 WeakPolarHBondContact OD1-CG1 3.37Å; N543-I545 WeakPolarHBondContact OD1-CG2 3.44Å; N543-I545 PolarHBondContact OD1-N 3.28Å; I545-A547 CarbonylContact C-O 3.59Å; I545-A547 PolarHBondContact O-N 3.3Å; I545-R571 HydrophobicContact CG2-CG 3.67Å; I545-Q574 HydrophobicContact CG2-CB 4.2Å; I545-Q574 PolarHBondContact O-NE2 3.47Å; I545-Q574 VanDerWaalsContact O-NE2 3.16Å
546	G	94.7	Very high	85.2	Confident	25 Å²	25	21.3 Å²	21.3	26%	0.258	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.8	170.4	0	0	0	0	0	113.5	N522 L544	N522-G546 PolarHBondContact OD1-N 3.48Å; L544-G546 PolarHBondContact O-N 3.27Å; L544-G546 VanDerWaalsContact O-N 3.1Å
547	A	97.1	Very high	85.6	Confident	1 Å²	1	13.2 Å²	13.2	1%	0.008	9%	0.087	C	C	.	.			trans	-94.4	155.4	168.3	0	0	0	0	0	111.6	K477 V479 F521 L544 I545 V569 Q574	K477-A547 HydrophobicContact CB-CB 4.23Å; K477-A547 WeakPolarHBondContact O-CB 3.16Å; V479-A547 HydrophobicContact CG2-CB 3.57Å; F521-A547 HydrophobicContact CE1-CB 3.73Å; F521-A547 HydrophobicContact CZ-CB 3.88Å; L544-A547 PolarHBondContact O-N 2.96Å; I545-A547 CarbonylContact C-O 3.59Å; I545-A547 PolarHBondContact O-N 3.3Å; A547-V569 HydrophobicContact CB-CG1 4.36Å; A547-V569 VanDerWaalsContact O-CG1 3.27Å; A547-V569 WeakPolarHBondContact O-CG1 3.41Å; A547-Q574 PolarHBondContact O-NE2 3.44Å
548	N	96.8	Very high	86.4	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.021	9%	0.09	C	C	.	.			trans	-132.9	4.5	170.4	68.7	-62.8	0	0	0	111.9	D476 K477 K576 Q577 C578 Y579	D476-N548 WeakPolarHBondContact CB-OD1 3.3Å; D476-N548 PolarHBondContact OD1-ND2 2.93Å; D476-N548 PolarHBondContact OD1-OD1 2.96Å; D476-N548 PolarHBondContact OD2-ND2 3.08Å; K477-N548 PolarHBondContact O-N 3.26Å; N548-K576 HydrophobicContact CB-CB 3.76Å; N548-K576 HydrophobicContact CB-CD 4.19Å; N548-Q577 PolarHBondContact ND2-O 3.01Å; N548-Q577 VanDerWaalsContact ND2-O 3.17Å; N548-C578 CarbonylContact O-C 3.6Å; N548-C578 VanDerWaalsContact O-CA 3.24Å; N548-C578 WeakPolarHBondContact O-CA 3.47Å; N548-Y579 PolarHBondContact O-N 3.2Å
549	R	98.2	Very high	87.7	Confident	6 Å²	6	14.4 Å²	14.4	2%	0.023	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.6	172.9	-63.2	-169.5	-176.9	-97.6	-5.9	109.5	I470 D476 K477 V478 V479 Y579 Y581 D679 V681	I470-R549 VanDerWaalsContact CD1-CD 3.43Å; D476-R549 HydrophobicContact CB-CG 4.2Å; D476-R549 IonicContact OD2-CZ 2.67Å; D476-R549 IonicContact OD2-NE 3.19Å; D476-R549 PolarHBondContact OD2-NE 3.49Å; D476-R549 IonicContact OD2-NH2 3.4Å; D476-R549 PolarHBondContact OD2-NH2 3.27Å; K477-R549 PolarHBondContact O-N 2.86Å; V478-R549 CarbonylContact C-O 3.57Å; V478-R549 WeakPolarHBondContact CA-O 3.42Å; V478-R549 HydrophobicContact CG2-CB 4.24Å; V479-R549 PolarHBondContact N-O 3.49Å; R549-Y579 CarbonylContact C-O 3.57Å; R549-Y579 WeakPolarHBondContact CA-O 3.41Å; R549-Y579 HydrophobicContact CG-CD2 4.24Å; R549-Y581 HydrophobicContact CB-CE2 4.3Å; R549-Y581 PolarHBondContact NH1-OH 3.33Å; R549-D679 IonicContact NH1-OD1 3.15Å; R549-D679 PolarHBondContact NH1-OD1 3.43Å; R549-D679 IonicContact NH1-OD2 2.76Å; R549-V681 VanDerWaalsContact NH1-CG2 3.34Å
550	L	97.3	Very high	88.6	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.7	178.5	173.6	61.8	0	0	0	109.4	V479 I481 M552 M566 V569 Y579 I580 Y581	V479-L550 HydrophobicContact CB-CD1 3.74Å; V479-L550 HydrophobicContact CG1-CD1 3.68Å; V479-L550 WeakPolarHBondContact O-CA 3.45Å; I481-L550 HydrophobicContact CD1-CD1 3.48Å; I481-L550 VanDerWaalsContact CD1-CD1 3.48Å; I481-L550 HydrophobicContact CD1-CD2 4.44Å; I481-L550 HydrophobicContact CG1-CD1 3.72Å; L550-M552 HydrophobicContact CD2-CG 4.25Å; L550-M552 HydrophobicContact CD2-SD 4.43Å; L550-M552 HydrophobicContact CG-CG 4.21Å; L550-M566 HydrophobicContact CD2-CB 4.26Å; L550-M566 HydrophobicContact CD2-CG 3.93Å; L550-V569 HydrophobicContact CB-CG2 4.28Å; L550-V569 HydrophobicContact CD1-CG2 4.43Å; L550-Y579 PolarHBondContact N-O 3.13Å; L550-I580 HydrophobicContact CB-CD1 3.7Å; L550-I580 HydrophobicContact CB-CG2 4.44Å; L550-I580 HydrophobicContact CD2-CD1 4.06Å; L550-I580 HydrophobicContact CD2-CG2 4.18Å; L550-I580 HydrophobicContact CG-CD1 4.42Å; L550-I580 HydrophobicContact CG-CG2 4.38Å; L550-I580 CarbonylContact O-C 3.56Å; L550-I580 WeakPolarHBondContact O-CA 3.48Å; L550-Y581 WeakPolarHBondContact O-CD2 3.31Å; L550-Y581 PolarHBondContact O-N 2.8Å
551	V	98.3	Very high	89.4	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116	170.8	-172.8	0	0	0	0	108.8	L463 L466 V478 V479 L480 I481 Y581 L583	L463-V551 HydrophobicContact CD1-CG1 4.29Å; L463-V551 HydrophobicContact CD1-CG2 4.4Å; L466-V551 HydrophobicContact CD2-CG2 3.6Å; V478-V551 HydrophobicContact CG1-CG2 4.06Å; V479-V551 PolarHBondContact O-N 2.95Å; L480-V551 HydrophobicContact CD2-CB 3.6Å; L480-V551 HydrophobicContact CD2-CG1 4.36Å; L480-V551 HydrophobicContact CD2-CG2 3.7Å; I481-V551 PolarHBondContact N-O 2.92Å; V551-Y581 CarbonylContact C-O 3.51Å; V551-Y581 WeakPolarHBondContact CA-O 3.42Å; V551-Y581 HydrophobicContact CG2-CD2 3.87Å; V551-L583 HydrophobicContact CG1-CD1 4Å; V551-L583 HydrophobicContact CG1-CG 4.03Å
552	M	96.3	Very high	90.1	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.03	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	103.4	168.3	-61.1	167.2	62.1	0	0	106.9	L550 D562 M566 I580 Y581 R582 L583	L550-M552 HydrophobicContact CD2-CG 4.25Å; L550-M552 HydrophobicContact CD2-SD 4.43Å; L550-M552 HydrophobicContact CG-CG 4.21Å; M552-D562 HydrophobicContact CE-CB 3.3Å; M552-D562 WeakPolarHBondContact CE-OD1 3.38Å; M552-D562 WeakPolarHBondContact CE-OD2 3.33Å; M552-M566 HydrophobicContact SD-CG 3.81Å; M552-M566 HydrophobicContact SD-SD 4.35Å; M552-I580 HydrophobicContact SD-CG2 3.99Å; M552-Y581 PolarHBondContact N-O 3.22Å; M552-R582 HydrophobicContact CB-CG 4.24Å; M552-R582 HydrophobicContact CE-CG 4.19Å; M552-R582 HydrophobicContact SD-CG 3.76Å; M552-L583 PolarHBondContact O-N 3.29Å
553	F	97.9	Very high	90.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.			trans	-81.4	-28	-166.6	-166	-99.9	0	0	0	113.8	N415 K459 F460 L463 I481 T487 F491 L583	N415-F553 HydrophobicContact CB-CD1 4.37Å; N415-F553 HydrophobicContact CB-CE1 3.82Å; K459-F553 HydrophobicContact CB-CE1 4.31Å; K459-F553 HydrophobicContact CB-CE2 3.87Å; K459-F553 HydrophobicContact CB-CZ 3.57Å; K459-F553 PolarHBondContact NZ-O 3.11Å; F460-F553 HydrophobicContact CD2-CE1 4.04Å; F460-F553 HydrophobicContact CD2-CE2 4.35Å; F460-F553 AromaticContact CD2-CZ 3.41Å; F460-F553 HydrophobicContact CD2-CZ 3.41Å; F460-F553 VanDerWaalsContact CD2-CZ 3.41Å; F460-F553 AromaticContact CE2-CE1 3.64Å; F460-F553 HydrophobicContact CE2-CE1 3.64Å; F460-F553 HydrophobicContact CE2-CE2 4.45Å; F460-F553 AromaticContact CE2-CZ 3.43Å; F460-F553 HydrophobicContact CE2-CZ 3.43Å; F460-F553 VanDerWaalsContact CE2-CZ 3.43Å; F460-F553 HydrophobicContact CG-CZ 4.24Å; F460-F553 HydrophobicContact CZ-CE1 4.5Å; F460-F553 HydrophobicContact CZ-CZ 4.28Å; L463-F553 HydrophobicContact CB-CE2 3.96Å; L463-F553 HydrophobicContact CD2-CD2 3.95Å; L463-F553 HydrophobicContact CD2-CE2 3.71Å; L463-F553 HydrophobicContact CG-CE2 4.41Å; I481-F553 WeakPolarHBondContact O-CB 3.3Å; I481-F553 PolarHBondContact O-N 2.96Å; T487-F553 HydrophobicContact CG2-CD1 3.72Å; T487-F553 HydrophobicContact CG2-CE1 3.9Å; F491-F553 HydrophobicContact CE1-CD1 4.17Å; F491-F553 AromaticContact CE1-CD2 3.97Å; F491-F553 HydrophobicContact CE1-CD2 3.97Å; F491-F553 HydrophobicContact CE1-CE1 4.25Å; F491-F553 HydrophobicContact CE1-CE2 4.08Å; F491-F553 HydrophobicContact CE1-CG 4.03Å; F491-F553 HydrophobicContact CE1-CZ 4.22Å; F491-F553 HydrophobicContact CZ-CB 3.78Å; F491-F553 AromaticContact CZ-CD1 3.83Å; F491-F553 HydrophobicContact CZ-CD1 3.83Å; F491-F553 AromaticContact CZ-CD2 3.81Å; F491-F553 HydrophobicContact CZ-CD2 3.81Å; F491-F553 HydrophobicContact CZ-CE1 4.37Å; F491-F553 HydrophobicContact CZ-CE2 4.37Å; F491-F553 AromaticContact CZ-CG 3.52Å; F491-F553 HydrophobicContact CZ-CG 3.52Å; F553-L583 HydrophobicContact CD2-CD1 3.78Å; F553-L583 HydrophobicContact CE2-CD1 3.93Å
554	D	95.5	Very high	90.1	Very high	6 Å²	6	15.6 Å²	15.6	3%	0.032	9%	0.088	C	C	.	.	S	Bend	trans	-143.4	138	174.3	49.3	-90	0	0	0	110.4	N415 S482 N483	N415-D554 PolarHBondContact ND2-OD1 3.09Å; N415-D554 WeakPolarHBondContact OD1-CB 3.31Å; S482-D554 WeakPolarHBondContact CA-OD1 3.33Å; S482-D554 VanDerWaalsContact CB-OD1 3.25Å; S482-D554 WeakPolarHBondContact CB-OD1 3.34Å; S482-D554 PolarHBondContact OG-OD1 3.18Å; N483-D554 WeakPolarHBondContact CB-OD2 3.44Å; N483-D554 VanDerWaalsContact CG-OD2 3.22Å; N483-D554 PolarHBondContact N-OD2 3.01Å; N483-D554 PolarHBondContact ND2-O 3.24Å; N483-D554 PolarHBondContact ND2-OD2 3.05Å
555	P	91.3	Very high	89.8	Confident	7 Å²	7	15.8 Å²	15.8	5%	0.045	9%	0.09	C	C	.	.			trans	-76	147.3	-176.6	30.2	-34.6	0	0	0	112.1	N483 I584 E590 M593	N483-P555 PolarHBondContact ND2-O 2.85Å; P555-I584 HydrophobicContact CG-CG2 4.45Å; P555-E590 HydrophobicContact CG-CB 4.21Å; P555-E590 HydrophobicContact CG-CG 4.37Å; P555-M593 HydrophobicContact CB-CE 4.47Å; P555-M593 HydrophobicContact CG-CB 4.42Å; P555-M593 HydrophobicContact CG-CE 4.14Å; P555-M593 HydrophobicContact CG-SD 4.45Å; P555-M593 WeakPolarHBondContact O-CE 3.2Å
556	D	87.3	Confident	89.5	Confident	32 Å²	32	14 Å²	14	17%	0.171	8%	0.08	C	C	.	.			trans	-84.5	160.6	166.7	-164.6	-87.9	0	0	0	111.1	N558 N561 Q597	D556-N558 VanDerWaalsContact C-N 3.3Å; D556-N558 PolarHBondContact OD1-N 3.06Å; D556-N561 HydrophobicContact CB-CB 4.13Å; D556-N561 VanDerWaalsContact CG-ND2 3.3Å; D556-N561 PolarHBondContact OD1-ND2 3.14Å; D556-N561 PolarHBondContact OD2-ND2 3.18Å; D556-Q597 PolarHBondContact O-NE2 3.17Å
557	W	81.1	Confident	89.2	Confident	22 Å²	22	14.2 Å²	14.2	8%	0.083	8%	0.08	C	C	.	.	S	Bend	trans	-71.8	-29.7	173.3	-74.5	107.1	0	0	0	112.3	I407 P559 M593 V614 E615 F618 L626	I407-W557 HydrophobicContact CG2-CZ2 4Å; W557-P559 WeakPolarHBondContact O-CD 3.5Å; W557-M593 HydrophobicContact CD2-CE 3.83Å; W557-M593 HydrophobicContact CD2-CG 4.13Å; W557-M593 HydrophobicContact CD2-SD 4.46Å; W557-M593 HydrophobicContact CE3-CB 4.46Å; W557-M593 HydrophobicContact CE3-CE 4.4Å; W557-M593 HydrophobicContact CE3-CG 3.93Å; W557-M593 HydrophobicContact CG-CE 3.97Å; W557-M593 HydrophobicContact CH2-CG 3.58Å; W557-M593 HydrophobicContact CH2-SD 4.48Å; W557-M593 HydrophobicContact CZ2-CE 4.46Å; W557-M593 HydrophobicContact CZ2-CG 3.76Å; W557-M593 HydrophobicContact CZ2-SD 4.06Å; W557-M593 HydrophobicContact CZ3-CB 4.38Å; W557-M593 HydrophobicContact CZ3-CG 3.67Å; W557-V614 HydrophobicContact CD2-CG1 4.23Å; W557-V614 HydrophobicContact CE3-CB 4.34Å; W557-V614 HydrophobicContact CE3-CG1 3.53Å; W557-V614 HydrophobicContact CH2-CG1 4.42Å; W557-V614 HydrophobicContact CZ3-CG1 3.63Å; W557-E615 HydrophobicContact CG-CG 4.44Å; W557-E615 PolarHBondContact NE1-OE1 2.93Å; W557-F618 HydrophobicContact CH2-CE1 4.1Å; W557-F618 AromaticContact CH2-CZ 3.72Å; W557-F618 HydrophobicContact CH2-CZ 3.72Å; W557-F618 AromaticContact CZ2-CZ 3.94Å; W557-F618 HydrophobicContact CZ2-CZ 3.94Å; W557-F618 HydrophobicContact CZ3-CE1 4.41Å; W557-F618 HydrophobicContact CZ3-CZ 4.28Å; W557-L626 HydrophobicContact CH2-CD1 4.46Å; W557-L626 HydrophobicContact CH2-CD2 4.08Å
558	N	78.5	Confident	88.8	Confident	32 Å²	32	15.1 Å²	15.1	17%	0.171	8%	0.083	C	C	.	.	S	Bend	trans	-97.4	111.2	179.8	-175.8	8.2	0	0	0	110.4	D556 A560 N561	D556-N558 VanDerWaalsContact C-N 3.3Å; D556-N558 PolarHBondContact OD1-N 3.06Å; N558-A560 PolarHBondContact O-N 3.04Å; N558-A560 PolarHBondContact OD1-N 3.37Å; N558-N561 WeakPolarHBondContact O-CB 3.32Å; N558-N561 PolarHBondContact O-N 3.43Å
559	P	80.4	Confident	88.6	Confident	8 Å²	8	14.9 Å²	14.9	5%	0.052	8%	0.082	C	C	.	.	H	α-helix	trans	-58.2	-23.3	-179.9	20.4	-31	0	0	0	113.7	W557 N561 D562 D563 Q597 K600 K601	W557-P559 WeakPolarHBondContact O-CD 3.5Å; P559-N561 VanDerWaalsContact C-N 3.3Å; P559-N561 PolarHBondContact O-N 3.16Å; P559-D562 WeakPolarHBondContact O-CB 3.28Å; P559-D562 PolarHBondContact O-N 2.87Å; P559-D563 VanDerWaalsContact O-CG 3.24Å; P559-D563 PolarHBondContact O-N 3.15Å; P559-Q597 HydrophobicContact CB-CB 4.31Å; P559-Q597 HydrophobicContact CB-CG 4.36Å; P559-K600 HydrophobicContact CG-CG 4.48Å; P559-K601 HydrophobicContact CB-CD 4.16Å; P559-K601 HydrophobicContact CB-CG 3.83Å; P559-K601 HydrophobicContact CG-CG 3.97Å
560	A	79.7	Confident	88.3	Confident	8 Å²	8	15 Å²	15	7%	0.066	8%	0.082	C	C	.	.	H	α-helix	trans	-66.8	-30.7	178.1	0	0	0	0	0	112.8	T275 N558 D563 Q564	T275-A560 HydrophobicContact CG2-CB 3.81Å; N558-A560 PolarHBondContact O-N 3.04Å; N558-A560 PolarHBondContact OD1-N 3.37Å; A560-D563 PolarHBondContact O-N 2.9Å; A560-Q564 WeakPolarHBondContact O-CG 3.49Å; A560-Q564 PolarHBondContact O-N 3.05Å
561	N	80.8	Confident	88	Confident	55 Å²	55	17.8 Å²	17.8	29%	0.294	9%	0.093	S	C	.	.	H	α-helix	trans	-65.9	-44.7	176.5	-69.2	-20.3	0	0	0	110.4	D556 N558 P559 Q564 A565	D556-N561 HydrophobicContact CB-CB 4.13Å; D556-N561 VanDerWaalsContact CG-ND2 3.3Å; D556-N561 PolarHBondContact OD1-ND2 3.14Å; D556-N561 PolarHBondContact OD2-ND2 3.18Å; N558-N561 WeakPolarHBondContact O-CB 3.32Å; N558-N561 PolarHBondContact O-N 3.43Å; P559-N561 VanDerWaalsContact C-N 3.3Å; P559-N561 PolarHBondContact O-N 3.16Å; N561-Q564 PolarHBondContact O-N 3.28Å; N561-A565 WeakPolarHBondContact O-CB 3.25Å; N561-A565 PolarHBondContact O-N 3.2Å
562	D	85.1	Confident	87.4	Confident	6 Å²	6	22 Å²	22	3%	0.032	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-44.7	173.9	-81.2	10.7	0	0	0	111.6	M552 P559 Q564 A565 M566 Q597	M552-D562 HydrophobicContact CE-CB 3.3Å; M552-D562 WeakPolarHBondContact CE-OD1 3.38Å; M552-D562 WeakPolarHBondContact CE-OD2 3.33Å; P559-D562 WeakPolarHBondContact O-CB 3.28Å; P559-D562 PolarHBondContact O-N 2.87Å; D562-Q564 PolarHBondContact O-N 3.5Å; D562-A565 WeakPolarHBondContact O-CB 3.16Å; D562-A565 PolarHBondContact O-N 3.19Å; D562-M566 WeakPolarHBondContact O-CG 3.16Å; D562-M566 PolarHBondContact O-N 2.7Å; D562-Q597 PolarHBondContact OD2-NE2 3.33Å
563	D	85.3	Confident	87	Confident	41 Å²	41	23.6 Å²	23.6	22%	0.219	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-38.6	177.7	-66.2	-24	0	0	0	112.6	P559 A560 M566 A567 K601	P559-D563 VanDerWaalsContact O-CG 3.24Å; P559-D563 PolarHBondContact O-N 3.15Å; A560-D563 PolarHBondContact O-N 2.9Å; D563-M566 HydrophobicContact CB-CE 4.22Å; D563-M566 PolarHBondContact O-N 3.49Å; D563-M566 WeakPolarHBondContact OD1-CE 3.49Å; D563-A567 PolarHBondContact O-N 3.17Å; D563-A567 VanDerWaalsContact O-N 3.07Å; D563-K601 IonicContact OD1-NZ 2.79Å; D563-K601 PolarHBondContact OD1-NZ 3.08Å; D563-K601 WeakPolarHBondContact OD2-CE 3.44Å; D563-K601 IonicContact OD2-NZ 3.68Å; D563-K601 PolarHBondContact OD2-NZ 3.39Å
564	Q	84.6	Confident	86.8	Confident	27 Å²	27	24.3 Å²	24.3	13%	0.126	14%	0.136	C	C	.	.	H	α-helix	trans	-66.5	-38	174.4	-74.6	-173.5	17.2	0	0	112.5	A560 N561 D562 A567 R568	A560-Q564 WeakPolarHBondContact O-CG 3.49Å; A560-Q564 PolarHBondContact O-N 3.05Å; N561-Q564 PolarHBondContact O-N 3.28Å; D562-Q564 PolarHBondContact O-N 3.5Å; Q564-A567 PolarHBondContact O-N 3.03Å; Q564-R568 WeakPolarHBondContact O-CG 3.48Å; Q564-R568 PolarHBondContact O-N 2.84Å
565	A	85.2	Confident	86.5	Confident	5 Å²	5	33.2 Å²	33.2	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-45.4	175	0	0	0	0	0	111.5	I481 N561 D562 A567 R568	I481-A565 HydrophobicContact CD1-CB 3.56Å; N561-A565 WeakPolarHBondContact O-CB 3.25Å; N561-A565 PolarHBondContact O-N 3.2Å; D562-A565 WeakPolarHBondContact O-CB 3.16Å; D562-A565 PolarHBondContact O-N 3.19Å; A565-A567 VanDerWaalsContact C-N 3.31Å; A565-A567 PolarHBondContact O-N 3.01Å; A565-R568 WeakPolarHBondContact O-CB 3.45Å; A565-R568 WeakPolarHBondContact O-CG 3.36Å; A565-R568 PolarHBondContact O-N 3.25Å; A565-R568 VanDerWaalsContact O-N 3.15Å
566	M	88.8	Confident	86.6	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-40.8	173.4	-66.9	-170.8	-66.3	0	0	112.7	E358 L550 M552 D562 D563 R568 V569 W570 I580 R582	E358-M566 HydrophobicContact CG-SD 4.42Å; L550-M566 HydrophobicContact CD2-CB 4.26Å; L550-M566 HydrophobicContact CD2-CG 3.93Å; M552-M566 HydrophobicContact SD-CG 3.81Å; M552-M566 HydrophobicContact SD-SD 4.35Å; D562-M566 WeakPolarHBondContact O-CG 3.16Å; D562-M566 PolarHBondContact O-N 2.7Å; D563-M566 HydrophobicContact CB-CE 4.22Å; D563-M566 PolarHBondContact O-N 3.49Å; D563-M566 WeakPolarHBondContact OD1-CE 3.49Å; M566-R568 PolarHBondContact O-N 3.47Å; M566-V569 PolarHBondContact O-N 2.85Å; M566-V569 VanDerWaalsContact O-N 3.09Å; M566-W570 PolarHBondContact O-N 3.3Å; M566-I580 HydrophobicContact CG-CG2 3.98Å; M566-I580 HydrophobicContact SD-CG1 4.39Å; M566-I580 HydrophobicContact SD-CG2 3.85Å; M566-R582 PolarHBondContact SD-NH2 3.27Å
567	A	87.9	Confident	86.9	Confident	30 Å²	30	38.1 Å²	38.1	25%	0.248	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-3.6	178.7	0	0	0	0	0	114.1	D563 Q564 A565 R571	D563-A567 PolarHBondContact O-N 3.17Å; D563-A567 VanDerWaalsContact O-N 3.07Å; Q564-A567 PolarHBondContact O-N 3.03Å; A565-A567 VanDerWaalsContact C-N 3.31Å; A565-A567 PolarHBondContact O-N 3.01Å; A567-R571 WeakPolarHBondContact O-CB 3.43Å; A567-R571 VanDerWaalsContact O-CD 3.32Å; A567-R571 WeakPolarHBondContact O-CD 3.27Å
568	R	88.8	Confident	87.6	Confident	19 Å²	19	37.1 Å²	37.1	7%	0.072	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-31.8	171.1	-54.3	-57.6	172.1	-144.6	0.3	112.6	G538 G539 G541 L542 L544 Q564 A565 M566	G538-R568 VanDerWaalsContact O-CZ 3.31Å; G538-R568 PolarHBondContact O-NE 3.06Å; G538-R568 PolarHBondContact O-NH2 3.49Å; G539-R568 PolarHBondContact O-NH2 2.91Å; G541-R568 VanDerWaalsContact C-NH1 3.3Å; G541-R568 VanDerWaalsContact N-CZ 3.31Å; G541-R568 VanDerWaalsContact N-NH2 3.14Å; L542-R568 WeakPolarHBondContact O-CD 3.2Å; L544-R568 CarbonylContact C-O 3.52Å; L544-R568 WeakPolarHBondContact CA-O 3Å; L544-R568 HydrophobicContact CD1-CB 4.21Å; L544-R568 HydrophobicContact CG-CB 4.43Å; L544-R568 PolarHBondContact N-O 2.99Å; Q564-R568 WeakPolarHBondContact O-CG 3.48Å; Q564-R568 PolarHBondContact O-N 2.84Å; A565-R568 WeakPolarHBondContact O-CB 3.45Å; A565-R568 WeakPolarHBondContact O-CG 3.36Å; A565-R568 PolarHBondContact O-N 3.25Å; A565-R568 VanDerWaalsContact O-N 3.15Å; M566-R568 PolarHBondContact O-N 3.47Å
569	V	92.3	Very high	88.5	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-42.5	-177.5	-178.2	0	0	0	0	110.7	V479 L544 A547 L550 M566 Q574	V479-V569 HydrophobicContact CB-CG2 4.19Å; V479-V569 HydrophobicContact CG2-CG2 3.8Å; L544-V569 HydrophobicContact CB-CG2 4.38Å; A547-V569 HydrophobicContact CB-CG1 4.36Å; A547-V569 VanDerWaalsContact O-CG1 3.27Å; A547-V569 WeakPolarHBondContact O-CG1 3.41Å; L550-V569 HydrophobicContact CB-CG2 4.28Å; L550-V569 HydrophobicContact CD1-CG2 4.43Å; M566-V569 PolarHBondContact O-N 2.85Å; M566-V569 VanDerWaalsContact O-N 3.09Å; V569-Q574 PolarHBondContact O-NE2 3.36Å
570	W	91.9	Very high	89.3	Confident	8 Å²	8	36.7 Å²	36.7	3%	0.03	19%	0.186	C	C	.	.	S	Bend	trans	-100.7	85.9	179.5	-167.1	71.6	0	0	0	110.9	Q346 T350 L353 P354 K356 M566	Q346-W570 HydrophobicContact CB-CZ3 4.31Å; T350-W570 HydrophobicContact CG2-CH2 4.34Å; L353-W570 HydrophobicContact CB-CH2 4.47Å; L353-W570 HydrophobicContact CB-CZ2 3.68Å; L353-W570 HydrophobicContact CD1-CD2 3.76Å; L353-W570 HydrophobicContact CD1-CE3 3.88Å; L353-W570 HydrophobicContact CD1-CG 4.42Å; L353-W570 HydrophobicContact CD1-CH2 3.94Å; L353-W570 HydrophobicContact CD1-CZ2 3.81Å; L353-W570 HydrophobicContact CD1-CZ3 3.97Å; L353-W570 HydrophobicContact CG-CZ2 4.38Å; P354-W570 PolarHBondContact O-NE1 3.48Å; K356-W570 HydrophobicContact CB-CD2 4.38Å; K356-W570 HydrophobicContact CB-CG 4.22Å; K356-W570 HydrophobicContact CD-CD2 3.72Å; K356-W570 HydrophobicContact CD-CE3 3.83Å; K356-W570 HydrophobicContact CD-CG 4.13Å; K356-W570 HydrophobicContact CD-CH2 4.45Å; K356-W570 HydrophobicContact CD-CZ2 4.35Å; K356-W570 HydrophobicContact CD-CZ3 4.2Å; K356-W570 HydrophobicContact CG-CD2 4.08Å; K356-W570 HydrophobicContact CG-CG 4.41Å; K356-W570 HydrophobicContact CG-CZ2 4.13Å; M566-W570 PolarHBondContact O-N 3.3Å
571	R	90.3	Very high	90.2	Very high	59 Å²	59	36.3 Å²	36.3	22%	0.223	18%	0.183	C	C	.	.	S	Bend	trans	-153	176.3	179.8	66.4	-178	-55.7	170.1	0.6	111.3	L353 G541 L542 I545 A567 G573 Q574	L353-R571 WeakPolarHBondContact CD2-O 3.38Å; G541-R571 PolarHBondContact O-NH1 2.98Å; L542-R571 PolarHBondContact O-NH1 3.43Å; I545-R571 HydrophobicContact CG2-CG 3.67Å; A567-R571 WeakPolarHBondContact O-CB 3.43Å; A567-R571 VanDerWaalsContact O-CD 3.32Å; A567-R571 WeakPolarHBondContact O-CD 3.27Å; R571-G573 PolarHBondContact O-N 3.45Å; R571-Q574 VanDerWaalsContact O-CB 3.27Å; R571-Q574 WeakPolarHBondContact O-CB 3.35Å; R571-Q574 PolarHBondContact O-N 3.1Å
572	D	87.2	Confident	91	Very high	89 Å²	89	34.3 Å²	34.3	48%	0.476	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47	130.9	175.2	177.4	51.2	0	0	0	111.7	K181	K181-D572 IonicContact NZ-OD2 3.27Å; K181-D572 PolarHBondContact NZ-OD2 3.35Å
573	G	88	Confident	91.6	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.7	-13.2	-173.9	0	0	0	0	0	115.1	R571	R571-G573 PolarHBondContact O-N 3.45Å
574	Q	92	Very high	92.2	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.075	16%	0.16	C	C	.	.			trans	-67.9	131.9	172.9	-176.8	53.4	-101	0	0	111.1	P354 I545 A547 V569 R571 K576	P354-Q574 WeakPolarHBondContact CD-O 3.27Å; P354-Q574 HydrophobicContact CG-CG 4.24Å; P354-Q574 WeakPolarHBondContact CG-O 3.26Å; I545-Q574 HydrophobicContact CG2-CB 4.2Å; I545-Q574 PolarHBondContact O-NE2 3.47Å; I545-Q574 VanDerWaalsContact O-NE2 3.16Å; A547-Q574 PolarHBondContact O-NE2 3.44Å; V569-Q574 PolarHBondContact O-NE2 3.36Å; R571-Q574 VanDerWaalsContact O-CB 3.27Å; R571-Q574 WeakPolarHBondContact O-CB 3.35Å; R571-Q574 PolarHBondContact O-N 3.1Å; Q574-K576 WeakPolarHBondContact CG-O 3.38Å; Q574-K576 PolarHBondContact OE1-O 3.39Å
575	K	90.8	Very high	92.9	Very high	193 Å²	193	31 Å²	31	84%	0.839	16%	0.155	S	C	*	.			trans	-116.1	-19.4	-177.1	-63.6	-177.9	-178.5	178.9	0	113.8
576	K	92.7	Very high	93.5	Very high	81 Å²	81	30.9 Å²	30.9	35%	0.352	15%	0.153	S	C	.	.	S	Bend	trans	-102.1	153.3	-179	-66	-176.9	172.7	-171.3	0	110.2	P354 D476 N548 Q574 C578	P354-K576 WeakPolarHBondContact CB-O 3.41Å; D476-K576 IonicContact OD1-NZ 3.64Å; D476-K576 PolarHBondContact OD1-NZ 3.05Å; D476-K576 VanDerWaalsContact OD1-NZ 3.15Å; N548-K576 HydrophobicContact CB-CB 3.76Å; N548-K576 HydrophobicContact CB-CD 4.19Å; Q574-K576 WeakPolarHBondContact CG-O 3.38Å; Q574-K576 PolarHBondContact OE1-O 3.39Å; K576-C578 PolarHBondContact O-N 3.18Å
577	Q	94.2	Very high	93.9	Very high	61 Å²	61	30.8 Å²	30.8	29%	0.285	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-58.3	133	166.6	-176.7	173.9	-58.3	0	0	109.8	V355 N548 Y579	V355-Q577 HydrophobicContact CB-CG 4.44Å; V355-Q577 WeakPolarHBondContact O-CA 3.43Å; V355-Q577 VanDerWaalsContact O-CG 3.3Å; V355-Q577 WeakPolarHBondContact O-CG 3.34Å; N548-Q577 PolarHBondContact ND2-O 3.01Å; N548-Q577 VanDerWaalsContact ND2-O 3.17Å; Q577-Y579 HydrophobicContact CG-CE2 4.36Å; Q577-Y579 PolarHBondContact NE2-OH 2.9Å; Q577-Y579 VanDerWaalsContact NE2-OH 3.1Å
578	C	95.7	Very high	94.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.9	-178.3	-75.4	0	0	0	0	112.1	V355 K356 I357 N548 K576	V355-C578 PolarHBondContact O-N 3.37Å; K356-C578 CarbonylContact C-O 3.59Å; K356-C578 VanDerWaalsContact CA-O 3.3Å; K356-C578 WeakPolarHBondContact CA-O 3.41Å; K356-C578 HydrophobicContact CB-CB 3.93Å; I357-C578 PolarHBondContact N-O 2.88Å; N548-C578 CarbonylContact O-C 3.6Å; N548-C578 VanDerWaalsContact O-CA 3.24Å; N548-C578 WeakPolarHBondContact O-CA 3.47Å; K576-C578 PolarHBondContact O-N 3.18Å
579	Y	97.7	Very high	94.7	Very high	32 Å²	32	28.4 Å²	28.4	13%	0.125	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.3	173.1	-57.8	-98.2	0	0	0	108.9	I357 N548 R549 L550 Q577 D679	I357-Y579 HydrophobicContact CB-CD1 4.37Å; I357-Y579 HydrophobicContact CD1-CD1 4.04Å; I357-Y579 HydrophobicContact CD1-CE1 3.7Å; I357-Y579 HydrophobicContact CG1-CD1 4.35Å; I357-Y579 HydrophobicContact CG1-CE1 4.38Å; N548-Y579 PolarHBondContact O-N 3.2Å; R549-Y579 CarbonylContact C-O 3.57Å; R549-Y579 WeakPolarHBondContact CA-O 3.41Å; R549-Y579 HydrophobicContact CG-CD2 4.24Å; L550-Y579 PolarHBondContact N-O 3.13Å; Q577-Y579 HydrophobicContact CG-CE2 4.36Å; Q577-Y579 PolarHBondContact NE2-OH 2.9Å; Q577-Y579 VanDerWaalsContact NE2-OH 3.1Å; Y579-D679 HydrophobicContact CD1-CB 4.03Å; Y579-D679 HydrophobicContact CE1-CB 4Å
580	I	96.7	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.1	178.1	-43.3	-59.2	0	0	0	108.3	I357 E358 Q359 L550 M552 M566	I357-I580 PolarHBondContact O-N 3.41Å; E358-I580 HydrophobicContact CG-CB 4.18Å; E358-I580 HydrophobicContact CG-CG1 4.14Å; Q359-I580 PolarHBondContact N-O 3.17Å; L550-I580 HydrophobicContact CB-CD1 3.7Å; L550-I580 HydrophobicContact CB-CG2 4.44Å; L550-I580 HydrophobicContact CD2-CD1 4.06Å; L550-I580 HydrophobicContact CD2-CG2 4.18Å; L550-I580 HydrophobicContact CG-CD1 4.42Å; L550-I580 HydrophobicContact CG-CG2 4.38Å; L550-I580 CarbonylContact O-C 3.56Å; L550-I580 WeakPolarHBondContact O-CA 3.48Å; M552-I580 HydrophobicContact SD-CG2 3.99Å; M566-I580 HydrophobicContact CG-CG2 3.98Å; M566-I580 HydrophobicContact SD-CG1 4.39Å; M566-I580 HydrophobicContact SD-CG2 3.85Å
581	Y	98.2	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	114.3	177	-49.8	-81.8	0	0	0	109	Q359 L466 R549 L550 V551 M552 D679 L682	Q359-Y581 HydrophobicContact CB-CD1 4.47Å; Q359-Y581 CarbonylContact O-C 3.57Å; Q359-Y581 WeakPolarHBondContact O-CA 3.39Å; L466-Y581 HydrophobicContact CD1-CD1 4.41Å; L466-Y581 HydrophobicContact CD1-CE1 4.02Å; L466-Y581 HydrophobicContact CD1-CE2 4.45Å; L466-Y581 HydrophobicContact CD2-CD2 3.91Å; L466-Y581 HydrophobicContact CD2-CE2 4.04Å; L466-Y581 HydrophobicContact CD2-CG 4.2Å; R549-Y581 HydrophobicContact CB-CE2 4.3Å; R549-Y581 PolarHBondContact NH1-OH 3.33Å; L550-Y581 WeakPolarHBondContact O-CD2 3.31Å; L550-Y581 PolarHBondContact O-N 2.8Å; V551-Y581 CarbonylContact C-O 3.51Å; V551-Y581 WeakPolarHBondContact CA-O 3.42Å; V551-Y581 HydrophobicContact CG2-CD2 3.87Å; M552-Y581 PolarHBondContact N-O 3.22Å; Y581-D679 WeakPolarHBondContact CE1-OD2 3.31Å; Y581-D679 PolarHBondContact OH-OD2 3.34Å; Y581-L682 HydrophobicContact CD1-CD1 4.4Å; Y581-L682 HydrophobicContact CE1-CB 4.2Å; Y581-L682 HydrophobicContact CE1-CD1 4.45Å
582	R	97.1	Very high	95.1	Very high	13 Å²	13	25.3 Å²	25.3	5%	0.049	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	104.7	168.2	-62.7	-166.8	-170.8	136.7	14.8	108.2	E358 Q359 V360 V361 M552 M566	E358-R582 IonicContact OE2-CZ 2.78Å; E358-R582 IonicContact OE2-NH1 3.08Å; E358-R582 IonicContact OE2-NH2 2.87Å; E358-R582 PolarHBondContact OE2-NH2 3.3Å; Q359-R582 PolarHBondContact O-N 3.17Å; V360-R582 CarbonylContact C-O 3.59Å; V360-R582 WeakPolarHBondContact CA-O 3.41Å; V360-R582 HydrophobicContact CG2-CB 4.35Å; V361-R582 PolarHBondContact N-O 3.01Å; M552-R582 HydrophobicContact CB-CG 4.24Å; M552-R582 HydrophobicContact CE-CG 4.19Å; M552-R582 HydrophobicContact SD-CG 3.76Å; M566-R582 PolarHBondContact SD-NH2 3.27Å
583	L	98.5	Very high	95.3	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	128	177.7	-53.4	-169.4	0	0	0	108.8	V361 K459 V462 V551 M552 F553	V361-L583 HydrophobicContact CB-CD2 3.73Å; V361-L583 HydrophobicContact CG1-CD2 4.22Å; V361-L583 HydrophobicContact CG2-CD2 4.1Å; K459-L583 HydrophobicContact CD-CB 3.98Å; K459-L583 HydrophobicContact CG-CB 4.41Å; V462-L583 HydrophobicContact CG1-CD1 4.36Å; V462-L583 HydrophobicContact CG1-CD2 4.13Å; V551-L583 HydrophobicContact CG1-CD1 4Å; V551-L583 HydrophobicContact CG1-CG 4.03Å; M552-L583 PolarHBondContact O-N 3.29Å; F553-L583 HydrophobicContact CD2-CD1 3.78Å; F553-L583 HydrophobicContact CE2-CD1 3.93Å
584	I	98	Very high	95.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142	173.7	55.3	143.8	0	0	0	109.5	V360 V361 C362 C363 P555 E591 L594	V360-I584 HydrophobicContact CG1-CD1 4.16Å; V360-I584 HydrophobicContact CG1-CG1 3.92Å; V361-I584 PolarHBondContact O-N 2.86Å; C362-I584 WeakPolarHBondContact CA-O 3.42Å; C362-I584 HydrophobicContact CB-CD1 4.45Å; C362-I584 VanDerWaalsContact SG-CD1 3.58Å; C363-I584 PolarHBondContact N-O 3.02Å; P555-I584 HydrophobicContact CG-CG2 4.45Å; I584-E591 HydrophobicContact CD1-CB 4.01Å; I584-E591 HydrophobicContact CD1-CG 3.79Å; I584-L594 HydrophobicContact CD1-CD2 3.71Å
585	S	98.5	Very high	95.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.5	172.2	-67.2	0	0	0	0	111.5	C363 C414 T588 E590	C363-S585 CarbonylContact O-C 3.51Å; C363-S585 VanDerWaalsContact O-CA 3.27Å; C363-S585 WeakPolarHBondContact O-CA 3.44Å; C414-S585 WeakPolarHBondContact CB-OG 3.44Å; S585-T588 WeakPolarHBondContact CB-OG1 3.36Å; S585-T588 PolarHBondContact O-N 2.95Å; S585-T588 PolarHBondContact O-OG1 3.35Å; S585-E590 PolarHBondContact N-OE2 2.96Å
586	T	98.3	Very high	95	Very high	2 Å²	2	13 Å²	13	1%	0.012	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	131.4	-175.3	-51.3	0	0	0	0	112.1	C362 C363 T588 T633 L634 S692	C362-T586 VanDerWaalsContact C-OG1 3.3Å; C362-T586 WeakPolarHBondContact CB-OG1 3.47Å; C363-T586 VanDerWaalsContact C-OG1 3.31Å; C363-T586 PolarHBondContact N-OG1 3.4Å; C363-T586 PolarHBondContact O-N 2.75Å; C363-T586 PolarHBondContact O-OG1 3.43Å; T586-T588 WeakPolarHBondContact O-CG2 3.48Å; T586-T588 PolarHBondContact O-N 2.89Å; T586-T588 VanDerWaalsContact O-N 3.13Å; T586-T633 HydrophobicContact CG2-CG2 3.91Å; T586-T633 VanDerWaalsContact CG2-O 3.31Å; T586-T633 WeakPolarHBondContact CG2-O 3.44Å; T586-L634 VanDerWaalsContact CG2-O 3.31Å; T586-L634 WeakPolarHBondContact CG2-O 3.42Å; T586-S692 WeakPolarHBondContact CG2-OG 3.44Å; T586-S692 PolarHBondContact OG1-OG 2.78Å
587	G	97	Very high	94.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	4	175.8	0	0	0	0	0	115.2	E591 Y629 H630	G587-E591 PolarHBondContact N-OE2 3.18Å; G587-Y629 WeakPolarHBondContact O-CD2 3.47Å; G587-H630 PolarHBondContact O-N 2.73Å
588	T	97.7	Very high	94.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	-94.6	-174.6	-175.5	78.7	0	0	0	0	112.5	L365 Y373 C414 S585 T586 E590 E591 K592 Y629	L365-T588 HydrophobicContact CD1-CG2 3.75Å; L365-T588 HydrophobicContact CD2-CG2 4.2Å; L365-T588 HydrophobicContact CG-CG2 3.95Å; Y373-T588 HydrophobicContact CE1-CG2 4.17Å; Y373-T588 HydrophobicContact CE2-CG2 4.2Å; Y373-T588 WeakPolarHBondContact OH-CB 3Å; C414-T588 PolarHBondContact SG-OG1 2.9Å; S585-T588 WeakPolarHBondContact CB-OG1 3.36Å; S585-T588 PolarHBondContact O-N 2.95Å; S585-T588 PolarHBondContact O-OG1 3.35Å; T586-T588 WeakPolarHBondContact O-CG2 3.48Å; T586-T588 PolarHBondContact O-N 2.89Å; T586-T588 VanDerWaalsContact O-N 3.13Å; T588-E590 PolarHBondContact O-N 3.15Å; T588-E590 PolarHBondContact OG1-N 2.99Å; T588-E590 VanDerWaalsContact OG1-N 3.15Å; T588-E591 PolarHBondContact O-N 3.21Å; T588-K592 PolarHBondContact O-N 3.48Å; T588-Y629 HydrophobicContact CG2-CD2 4.12Å; T588-Y629 HydrophobicContact CG2-CE2 3.92Å
589	I	95	Very high	93.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-32.5	171.8	-168.9	164.8	0	0	0	112.6	Y373 I407 L410 K411 E591 K592 M593 L626	Y373-I589 PolarHBondContact OH-N 2.87Å; I407-I589 HydrophobicContact CB-CD1 3.97Å; I407-I589 HydrophobicContact CG1-CD1 3.68Å; I407-I589 HydrophobicContact CG2-CD1 3.71Å; L410-I589 HydrophobicContact CB-CG2 3.94Å; K411-I589 HydrophobicContact CG-CG2 4.18Å; I589-E591 VanDerWaalsContact C-N 3.34Å; I589-E591 PolarHBondContact O-N 2.91Å; I589-K592 PolarHBondContact O-N 3.14Å; I589-M593 VanDerWaalsContact O-CG 3.32Å; I589-M593 WeakPolarHBondContact O-CG 3.41Å; I589-M593 PolarHBondContact O-N 3.27Å; I589-L626 HydrophobicContact CG1-CD2 4.16Å
590	E	95.7	Very high	91.9	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-37.6	179.7	-69.2	-170	158.5	0	0	112	C414 K459 P555 S585 T588 K592 M593 L594	C414-E590 HydrophobicContact CB-CG 4.07Å; C414-E590 WeakPolarHBondContact CB-OE1 3.39Å; K459-E590 WeakPolarHBondContact CE-OE2 3.5Å; K459-E590 IonicContact NZ-OE1 2.63Å; K459-E590 PolarHBondContact NZ-OE1 3.38Å; K459-E590 IonicContact NZ-OE2 3.67Å; K459-E590 PolarHBondContact NZ-OE2 3.42Å; P555-E590 HydrophobicContact CG-CB 4.21Å; P555-E590 HydrophobicContact CG-CG 4.37Å; S585-E590 PolarHBondContact N-OE2 2.96Å; T588-E590 PolarHBondContact O-N 3.15Å; T588-E590 PolarHBondContact OG1-N 2.99Å; T588-E590 VanDerWaalsContact OG1-N 3.15Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.49Å; E590-M593 WeakPolarHBondContact O-CB 3.45Å; E590-M593 PolarHBondContact O-N 3.16Å; E590-L594 PolarHBondContact O-N 2.82Å
591	E	95.7	Very high	90.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-68.3	-32.9	176.3	-170	163.5	-164.8	0	0	111.5	I584 G587 T588 I589 L594 Q595 S635 D636 T637	I584-E591 HydrophobicContact CD1-CB 4.01Å; I584-E591 HydrophobicContact CD1-CG 3.79Å; G587-E591 PolarHBondContact N-OE2 3.18Å; T588-E591 PolarHBondContact O-N 3.21Å; I589-E591 VanDerWaalsContact C-N 3.34Å; I589-E591 PolarHBondContact O-N 2.91Å; E591-L594 WeakPolarHBondContact O-CB 3.46Å; E591-L594 PolarHBondContact O-N 3.48Å; E591-Q595 VanDerWaalsContact O-CG 3.27Å; E591-Q595 WeakPolarHBondContact O-CG 3.41Å; E591-Q595 PolarHBondContact O-N 3.44Å; E591-S635 VanDerWaalsContact OE1-C 3.31Å; E591-S635 WeakPolarHBondContact OE1-CA 3.4Å; E591-S635 WeakPolarHBondContact OE1-CB 3.37Å; E591-S635 PolarHBondContact OE1-OG 3.41Å; E591-D636 HydrophobicContact CG-CB 4.14Å; E591-D636 PolarHBondContact OE1-N 3.2Å; E591-D636 WeakPolarHBondContact OE2-CB 3.08Å; E591-D636 PolarHBondContact OE2-N 2.97Å; E591-T637 WeakPolarHBondContact CG-OG1 3.42Å; E591-T637 WeakPolarHBondContact OE1-CB 3.32Å; E591-T637 PolarHBondContact OE1-N 2.93Å; E591-T637 PolarHBondContact OE1-OG1 2.59Å
592	K	91.8	Very high	89.2	Confident	2 Å²	2	20 Å²	20	1%	0.009	10%	0.102	C	C	.	.	H	α-helix	trans	-71.1	-34.9	172.4	-63.6	171.1	-161.1	162	0	112.7	T588 I589 E590 L594 Q595 R596 E625 L626 M628	T588-K592 PolarHBondContact O-N 3.48Å; I589-K592 PolarHBondContact O-N 3.14Å; E590-K592 VanDerWaalsContact C-N 3.3Å; E590-K592 PolarHBondContact O-N 3.49Å; K592-L594 VanDerWaalsContact C-N 3.29Å; K592-Q595 PolarHBondContact O-N 3.43Å; K592-R596 WeakPolarHBondContact O-CG 3.22Å; K592-R596 PolarHBondContact O-N 3.39Å; K592-E625 WeakPolarHBondContact CD-O 3.37Å; K592-E625 VanDerWaalsContact CE-O 3.32Å; K592-E625 WeakPolarHBondContact CE-O 3.42Å; K592-E625 PolarHBondContact NZ-O 2.98Å; K592-L626 HydrophobicContact CB-CD2 4.06Å; K592-L626 HydrophobicContact CD-CD2 4.34Å; K592-L626 PolarHBondContact NZ-O 3.3Å; K592-M628 VanDerWaalsContact NZ-C 3.34Å; K592-M628 PolarHBondContact NZ-O 3.21Å
593	M	91.1	Very high	87.3	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-44.3	170.1	-69.6	175.5	60.8	0	0	110.4	K411 P555 W557 I589 E590 Q595 R596 Q597	K411-M593 HydrophobicContact CD-CE 4.29Å; K411-M593 HydrophobicContact CD-SD 3.67Å; K411-M593 HydrophobicContact CG-SD 4.07Å; P555-M593 HydrophobicContact CB-CE 4.47Å; P555-M593 HydrophobicContact CG-CB 4.42Å; P555-M593 HydrophobicContact CG-CE 4.14Å; P555-M593 HydrophobicContact CG-SD 4.45Å; P555-M593 WeakPolarHBondContact O-CE 3.2Å; W557-M593 HydrophobicContact CD2-CE 3.83Å; W557-M593 HydrophobicContact CD2-CG 4.13Å; W557-M593 HydrophobicContact CD2-SD 4.46Å; W557-M593 HydrophobicContact CE3-CB 4.46Å; W557-M593 HydrophobicContact CE3-CE 4.4Å; W557-M593 HydrophobicContact CE3-CG 3.93Å; W557-M593 HydrophobicContact CG-CE 3.97Å; W557-M593 HydrophobicContact CH2-CG 3.58Å; W557-M593 HydrophobicContact CH2-SD 4.48Å; W557-M593 HydrophobicContact CZ2-CE 4.46Å; W557-M593 HydrophobicContact CZ2-CG 3.76Å; W557-M593 HydrophobicContact CZ2-SD 4.06Å; W557-M593 HydrophobicContact CZ3-CB 4.38Å; W557-M593 HydrophobicContact CZ3-CG 3.67Å; I589-M593 VanDerWaalsContact O-CG 3.32Å; I589-M593 WeakPolarHBondContact O-CG 3.41Å; I589-M593 PolarHBondContact O-N 3.27Å; E590-M593 WeakPolarHBondContact O-CB 3.45Å; E590-M593 PolarHBondContact O-N 3.16Å; M593-Q595 PolarHBondContact O-N 3.49Å; M593-R596 PolarHBondContact O-N 3.36Å; M593-Q597 WeakPolarHBondContact O-CG 3.27Å; M593-Q597 PolarHBondContact O-N 3.26Å
594	L	92	Very high	85.3	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-44.9	175.5	-179.3	75.2	0	0	0	111.9	V360 I584 E590 E591 K592 R596 Q597 A598 F665	V360-L594 HydrophobicContact CG1-CD1 4.39Å; V360-L594 HydrophobicContact CG1-CD2 3.64Å; I584-L594 HydrophobicContact CD1-CD2 3.71Å; E590-L594 PolarHBondContact O-N 2.82Å; E591-L594 WeakPolarHBondContact O-CB 3.46Å; E591-L594 PolarHBondContact O-N 3.48Å; K592-L594 VanDerWaalsContact C-N 3.29Å; L594-R596 VanDerWaalsContact C-N 3.33Å; L594-R596 PolarHBondContact O-N 3.3Å; L594-Q597 WeakPolarHBondContact O-CB 3.49Å; L594-Q597 PolarHBondContact O-N 3.27Å; L594-A598 PolarHBondContact O-N 3.46Å; L594-F665 HydrophobicContact CD1-CE2 3.67Å; L594-F665 HydrophobicContact CD1-CZ 3.76Å; L594-F665 HydrophobicContact CD2-CE2 4.13Å; L594-F665 HydrophobicContact CG-CE2 3.73Å; L594-F665 HydrophobicContact CG-CZ 4.28Å
595	Q	89.9	Confident	83	Confident	22 Å²	22	28.3 Å²	28.3	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-44.2	176.1	-67.7	158.4	8.2	0	0	111.5	E591 K592 M593 A598 H599 D636 T637	E591-Q595 VanDerWaalsContact O-CG 3.27Å; E591-Q595 WeakPolarHBondContact O-CG 3.41Å; E591-Q595 PolarHBondContact O-N 3.44Å; K592-Q595 PolarHBondContact O-N 3.43Å; M593-Q595 PolarHBondContact O-N 3.49Å; Q595-A598 PolarHBondContact O-N 3.08Å; Q595-H599 PolarHBondContact O-N 2.63Å; Q595-D636 PolarHBondContact NE2-OD2 3.46Å; Q595-T637 HydrophobicContact CG-CG2 4.03Å; Q595-T637 WeakPolarHBondContact CG-OG1 3.35Å; Q595-T637 PolarHBondContact NE2-OG1 3.01Å
596	R	83.4	Confident	80.5	Confident	53 Å²	53	31.8 Å²	31.8	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-38.4	176.3	-72.7	174.3	-179.9	-119.3	-2.7	112.3	K592 M593 L594 A598 H599 K600 D622	K592-R596 WeakPolarHBondContact O-CG 3.22Å; K592-R596 PolarHBondContact O-N 3.39Å; M593-R596 PolarHBondContact O-N 3.36Å; L594-R596 VanDerWaalsContact C-N 3.33Å; L594-R596 PolarHBondContact O-N 3.3Å; R596-A598 VanDerWaalsContact C-N 3.34Å; R596-H599 PolarHBondContact O-N 2.95Å; R596-K600 VanDerWaalsContact O-CB 3.31Å; R596-K600 WeakPolarHBondContact O-CB 3.4Å; R596-K600 PolarHBondContact O-N 3.08Å; R596-D622 IonicContact CZ-OD1 2.65Å; R596-D622 IonicContact NH1-OD1 3.92Å; R596-D622 IonicContact NH2-OD1 3.56Å; R596-D622 PolarHBondContact NH2-OD1 3.04Å
597	Q	85.1	Confident	78.1	Confident	5 Å²	5	34 Å²	34	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-45.2	172	-76.1	-171.8	-17.8	0	0	111.2	D556 P559 D562 M593 L594 K600 K601	D556-Q597 PolarHBondContact O-NE2 3.17Å; P559-Q597 HydrophobicContact CB-CB 4.31Å; P559-Q597 HydrophobicContact CB-CG 4.36Å; D562-Q597 PolarHBondContact OD2-NE2 3.33Å; M593-Q597 WeakPolarHBondContact O-CG 3.27Å; M593-Q597 PolarHBondContact O-N 3.26Å; L594-Q597 WeakPolarHBondContact O-CB 3.49Å; L594-Q597 PolarHBondContact O-N 3.27Å; Q597-K600 PolarHBondContact O-N 3.08Å; Q597-K601 WeakPolarHBondContact O-CG 3.44Å; Q597-K601 PolarHBondContact O-N 3Å
598	A	83.3	Confident	75.7	Confident	16 Å²	16	34.3 Å²	34.3	13%	0.132	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-47.1	179	0	0	0	0	0	111.5	L594 Q595 R596 K600 K601 A602 F665	L594-A598 PolarHBondContact O-N 3.46Å; Q595-A598 PolarHBondContact O-N 3.08Å; R596-A598 VanDerWaalsContact C-N 3.34Å; A598-K600 VanDerWaalsContact C-N 3.31Å; A598-K600 PolarHBondContact O-N 3.2Å; A598-K601 PolarHBondContact O-N 3.14Å; A598-A602 PolarHBondContact O-N 3.07Å; A598-F665 HydrophobicContact CB-CD2 3.66Å; A598-F665 HydrophobicContact CB-CE2 3.75Å
599	H	76	Confident	73.1	Confident	126 Å²	126	35.9 Å²	35.9	58%	0.583	20%	0.203	S	C	*	.	H	α-helix	trans	-57	-45.1	174.4	-171.9	-103.3	0	0	0	111.4	Q595 R596 K601 A602 L603	Q595-H599 PolarHBondContact O-N 2.63Å; R596-H599 PolarHBondContact O-N 2.95Å; H599-K601 PolarHBondContact O-N 3.36Å; H599-A602 WeakPolarHBondContact O-CB 3.36Å; H599-A602 PolarHBondContact O-N 3.07Å; H599-L603 VanDerWaalsContact CE1-CD1 3.45Å; H599-L603 WeakPolarHBondContact CE1-CD1 3.47Å; H599-L603 WeakPolarHBondContact O-CG 3.44Å; H599-L603 PolarHBondContact O-N 2.87Å
600	K	71.8	Confident	70.5	Confident	48 Å²	48	40.7 Å²	40.7	21%	0.209	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-37	177.2	-170.6	166.7	-175.5	165.5	0	113.1	P559 R596 Q597 A598 A602 S604	P559-K600 HydrophobicContact CG-CG 4.48Å; R596-K600 VanDerWaalsContact O-CB 3.31Å; R596-K600 WeakPolarHBondContact O-CB 3.4Å; R596-K600 PolarHBondContact O-N 3.08Å; Q597-K600 PolarHBondContact O-N 3.08Å; A598-K600 VanDerWaalsContact C-N 3.31Å; A598-K600 PolarHBondContact O-N 3.2Å; K600-A602 VanDerWaalsContact C-N 3.35Å; K600-S604 VanDerWaalsContact O-CB 3.22Å; K600-S604 WeakPolarHBondContact O-CB 3.39Å; K600-S604 PolarHBondContact O-N 3.12Å
601	K	72.3	Confident	67.8	Low	70 Å²	70	43.9 Å²	43.9	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-39.6	173.9	-79.3	-168.8	174.7	-165.4	0	111.5	P559 D563 Q597 A598 H599	P559-K601 HydrophobicContact CB-CD 4.16Å; P559-K601 HydrophobicContact CB-CG 3.83Å; P559-K601 HydrophobicContact CG-CG 3.97Å; D563-K601 IonicContact OD1-NZ 2.79Å; D563-K601 PolarHBondContact OD1-NZ 3.08Å; D563-K601 WeakPolarHBondContact OD2-CE 3.44Å; D563-K601 IonicContact OD2-NZ 3.68Å; D563-K601 PolarHBondContact OD2-NZ 3.39Å; Q597-K601 WeakPolarHBondContact O-CG 3.44Å; Q597-K601 PolarHBondContact O-N 3Å; A598-K601 PolarHBondContact O-N 3.14Å; H599-K601 PolarHBondContact O-N 3.36Å
602	A	65.9	Low	65.4	Low	58 Å²	58	49 Å²	49	48%	0.479	26%	0.264	S	S	.	.	H	α-helix	trans	-64.6	-45.2	177	0	0	0	0	0	111.7	A598 H599 K600 S605	A598-A602 PolarHBondContact O-N 3.07Å; H599-A602 WeakPolarHBondContact O-CB 3.36Å; H599-A602 PolarHBondContact O-N 3.07Å; K600-A602 VanDerWaalsContact C-N 3.35Å; A602-S605 PolarHBondContact O-OG 2.91Å
603	L	57.4	Low	63.1	Low	78 Å²	78	53.2 Å²	53.2	41%	0.408	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-46	176.8	-66.3	178.6	0	0	0	112.2	H599 S605 C606 D609	H599-L603 VanDerWaalsContact CE1-CD1 3.45Å; H599-L603 WeakPolarHBondContact CE1-CD1 3.47Å; H599-L603 WeakPolarHBondContact O-CG 3.44Å; H599-L603 PolarHBondContact O-N 2.87Å; L603-S605 PolarHBondContact O-N 3.46Å; L603-C606 WeakPolarHBondContact O-CB 3.31Å; L603-C606 PolarHBondContact O-N 2.81Å; L603-D609 HydrophobicContact CB-CB 4.45Å; L603-D609 VanDerWaalsContact CB-OD2 3.31Å; L603-D609 WeakPolarHBondContact CB-OD2 3.4Å
604	S	54.7	Low	61.1	Low	25 Å²	25	54.4 Å²	54.4	18%	0.175	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-4.9	-173.1	-173.6	0	0	0	0	115.8	R343 K600 C606 D609	R343-S604 PolarHBondContact NH1-O 3.11Å; R343-S604 PolarHBondContact NH2-O 3.49Å; K600-S604 VanDerWaalsContact O-CB 3.22Å; K600-S604 WeakPolarHBondContact O-CB 3.39Å; K600-S604 PolarHBondContact O-N 3.12Å; S604-C606 CarbonylContact C-O 3.59Å; S604-C606 PolarHBondContact O-N 3.33Å; S604-D609 WeakPolarHBondContact CA-OD2 3.27Å; S604-D609 PolarHBondContact N-OD2 3.3Å; S604-D609 VanDerWaalsContact N-OD2 3.12Å
605	S	51.5	Low	59.1	Low	87 Å²	87	59.1 Å²	59.1	61%	0.608	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-35.5	164.4	68.6	0	0	0	0	111.1	A602 L603	A602-S605 PolarHBondContact O-OG 2.91Å; L603-S605 PolarHBondContact O-N 3.46Å
606	C	44.1	Very low	57.3	Low	75 Å²	75	65.4 Å²	65.4	51%	0.507	34%	0.336	S	S	.	.	S	Bend	trans	-78.2	129.1	165.7	-62.5	0	0	0	0	109.2	L603 S604 V608 D609	L603-C606 WeakPolarHBondContact O-CB 3.31Å; L603-C606 PolarHBondContact O-N 2.81Å; S604-C606 CarbonylContact C-O 3.59Å; S604-C606 PolarHBondContact O-N 3.33Å; C606-V608 PolarHBondContact O-N 3.3Å; C606-D609 WeakPolarHBondContact CB-OD1 3.27Å
607	V	48.7	Very low	56	Low	49 Å²	49	69.3 Å²	69.3	30%	0.297	36%	0.356	S	S	.	.	S	Bend	trans	-75.6	2.9	-169.1	-171.4	0	0	0	0	112.4	Y284 L334	Y284-V607 HydrophobicContact CE2-CG1 4.18Å; L334-V607 HydrophobicContact CD2-CB 4.39Å
608	V	46.3	Very low	55.1	Low	6 Å²	6	70.4 Å²	70.4	4%	0.036	36%	0.36	C	S	.	.			trans	-150.6	84	-168.5	-166.4	0	0	0	0	112.6	L281 R314 L330 L334 C606	L281-V608 HydrophobicContact CD2-CG1 3.76Å; R314-V608 VanDerWaalsContact CZ-O 3.27Å; R314-V608 PolarHBondContact NH1-O 2.72Å; R314-V608 PolarHBondContact NH2-O 2.8Å; L330-V608 HydrophobicContact CD1-CB 4.1Å; L330-V608 HydrophobicContact CD1-CG1 4.15Å; L330-V608 HydrophobicContact CD1-CG2 4.02Å; L334-V608 HydrophobicContact CD2-CG2 3.93Å; C606-V608 PolarHBondContact O-N 3.3Å
609	D	42.7	Very low	54.5	Low	33 Å²	33	72.4 Å²	72.4	18%	0.176	37%	0.374	C	S	.	.			trans	-123.9	59.2	-176.7	-47.9	-41.8	0	0	0	117.5	N279 L603 S604 C606	N279-D609 WeakPolarHBondContact CB-O 3.43Å; N279-D609 VanDerWaalsContact ND2-CB 3.33Å; N279-D609 WeakPolarHBondContact ND2-CB 3.49Å; N279-D609 PolarHBondContact ND2-O 3.36Å; N279-D609 WeakPolarHBondContact OD1-CA 3.49Å; N279-D609 PolarHBondContact OD1-N 3.17Å; L603-D609 HydrophobicContact CB-CB 4.45Å; L603-D609 VanDerWaalsContact CB-OD2 3.31Å; L603-D609 WeakPolarHBondContact CB-OD2 3.4Å; S604-D609 WeakPolarHBondContact CA-OD2 3.27Å; S604-D609 PolarHBondContact N-OD2 3.3Å; S604-D609 VanDerWaalsContact N-OD2 3.12Å; C606-D609 WeakPolarHBondContact CB-OD1 3.27Å
610	Q	40.9	Very low	54.3	Low	101 Å²	101	68.9 Å²	68.9	47%	0.472	36%	0.359	S	S	.	.			trans	40.8	115.8	-180	-78.4	177.3	3.8	0	0	121.1	N279 E612	N279-Q610 VanDerWaalsContact CB-N 3.3Å; N279-Q610 PolarHBondContact ND2-O 2.97Å; N279-Q610 WeakPolarHBondContact O-CA 3.43Å; N279-Q610 PolarHBondContact O-N 3.1Å; Q610-E612 PolarHBondContact O-N 2.95Å
611	Q	40.4	Very low	54.4	Low	66 Å²	66	70.8 Å²	70.8	31%	0.308	37%	0.371	S	S	.	.			trans	-69.4	98.1	167.5	-86.1	-168.5	3.7	0	0	109.4	Q278 N279 D280 E283	Q278-Q611 HydrophobicContact CB-CG 4.08Å; N279-Q611 HydrophobicContact CB-CG 4.17Å; N279-Q611 VanDerWaalsContact CB-N 3.33Å; N279-Q611 PolarHBondContact O-N 3.43Å; D280-Q611 HydrophobicContact CB-CG 4.11Å; E283-Q611 PolarHBondContact OE1-NE2 3.45Å; E283-Q611 PolarHBondContact OE2-NE2 3.43Å
612	E	44	Very low	54.7	Low	108 Å²	108	69.4 Å²	69.4	51%	0.505	37%	0.367	S	S	.	.			trans	-82.6	107.1	147.7	-70.6	-176.8	175.2	0	0	106.5	Q610 V614	Q610-E612 PolarHBondContact O-N 2.95Å; E612-V614 WeakPolarHBondContact O-CG2 3.33Å; E612-V614 PolarHBondContact O-N 3.26Å
613	E	44.3	Very low	55.4	Low	90 Å²	90	66.9 Å²	66.9	42%	0.421	35%	0.346	S	S	.	.			trans	-57.8	88.9	149.6	-83.9	-171	158	0	0	105.6	E615 R616	E613-E615 PolarHBondContact O-N 2.62Å; E613-R616 HydrophobicContact CB-CB 4.34Å; E613-R616 HydrophobicContact CB-CG 4.49Å; E613-R616 PolarHBondContact O-N 2.87Å; E613-R616 IonicContact OE1-NH1 3.33Å; E613-R616 PolarHBondContact OE1-NH1 3.47Å; E613-R616 WeakPolarHBondContact OE2-CD 3.12Å; E613-R616 IonicContact OE2-CZ 3.68Å; E613-R616 IonicContact OE2-NE 3.11Å; E613-R616 IonicContact OE2-NH1 2.87Å; E613-R616 PolarHBondContact OE2-NH1 3.37Å
614	V	49	Very low	56.6	Low	26 Å²	26	69 Å²	69	16%	0.158	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-35.1	-169.2	-178.5	0	0	0	0	110.5	W557 E612 F618	W557-V614 HydrophobicContact CD2-CG1 4.23Å; W557-V614 HydrophobicContact CE3-CB 4.34Å; W557-V614 HydrophobicContact CE3-CG1 3.53Å; W557-V614 HydrophobicContact CH2-CG1 4.42Å; W557-V614 HydrophobicContact CZ3-CG1 3.63Å; E612-V614 WeakPolarHBondContact O-CG2 3.33Å; E612-V614 PolarHBondContact O-N 3.26Å; V614-F618 HydrophobicContact CG1-CE1 3.71Å; V614-F618 HydrophobicContact CG1-CZ 3.9Å; V614-F618 WeakPolarHBondContact O-CE1 3.3Å; V614-F618 WeakPolarHBondContact O-CE2 3.23Å; V614-F618 WeakPolarHBondContact O-CZ 3.33Å
615	E	48.8	Very low	58.1	Low	99 Å²	99	70.4 Å²	70.4	46%	0.463	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-35.3	178.7	-67.7	-170.8	168.1	0	0	114	L404 W557 E613 F618	L404-E615 HydrophobicContact CD2-CB 3.97Å; L404-E615 WeakPolarHBondContact CD2-O 3.43Å; W557-E615 HydrophobicContact CG-CG 4.44Å; W557-E615 PolarHBondContact NE1-OE1 2.93Å; E613-E615 PolarHBondContact O-N 2.62Å; E615-F618 WeakPolarHBondContact O-CE2 3.45Å
616	R	53.3	Low	59.7	Low	155 Å²	155	66.3 Å²	66.3	59%	0.585	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-19.7	-168.3	-64.2	-158	-176.7	136.2	-7.7	115.3	E613	E613-R616 HydrophobicContact CB-CB 4.34Å; E613-R616 HydrophobicContact CB-CG 4.49Å; E613-R616 PolarHBondContact O-N 2.87Å; E613-R616 IonicContact OE1-NH1 3.33Å; E613-R616 PolarHBondContact OE1-NH1 3.47Å; E613-R616 WeakPolarHBondContact OE2-CD 3.12Å; E613-R616 IonicContact OE2-CZ 3.68Å; E613-R616 IonicContact OE2-NE 3.11Å; E613-R616 IonicContact OE2-NH1 2.87Å; E613-R616 PolarHBondContact OE2-NH1 3.37Å
617	H	56.1	Low	61.9	Low	135 Å²	135	62.9 Å²	62.9	63%	0.625	30%	0.3	S	S	*	.			trans	-128.2	56.1	-173	-58.7	96.4	0	0	0	112.2
618	F	66	Low	63.9	Low	27 Å²	27	64.5 Å²	64.5	12%	0.118	31%	0.305	C	S	.	.			trans	-76.5	125.6	167	-64.5	-68.3	0	0	0	109.7	L404 I407 W557 V614 E615 D622 L623 L626	L404-F618 HydrophobicContact CD2-CE2 4.09Å; I407-F618 HydrophobicContact CD1-CD2 4.09Å; I407-F618 HydrophobicContact CD1-CE2 3.55Å; I407-F618 HydrophobicContact CD1-CZ 4.1Å; W557-F618 HydrophobicContact CH2-CE1 4.1Å; W557-F618 AromaticContact CH2-CZ 3.72Å; W557-F618 HydrophobicContact CH2-CZ 3.72Å; W557-F618 AromaticContact CZ2-CZ 3.94Å; W557-F618 HydrophobicContact CZ2-CZ 3.94Å; W557-F618 HydrophobicContact CZ3-CE1 4.41Å; W557-F618 HydrophobicContact CZ3-CZ 4.28Å; V614-F618 HydrophobicContact CG1-CE1 3.71Å; V614-F618 HydrophobicContact CG1-CZ 3.9Å; V614-F618 WeakPolarHBondContact O-CE1 3.3Å; V614-F618 WeakPolarHBondContact O-CE2 3.23Å; V614-F618 WeakPolarHBondContact O-CZ 3.33Å; E615-F618 WeakPolarHBondContact O-CE2 3.45Å; F618-D622 HydrophobicContact CB-CB 4.08Å; F618-D622 HydrophobicContact CD1-CB 4.06Å; F618-L623 HydrophobicContact CB-CD1 4.44Å; F618-L623 HydrophobicContact CB-CD2 3.5Å; F618-L623 HydrophobicContact CB-CG 3.63Å; F618-L623 HydrophobicContact CD2-CD2 3.93Å; F618-L623 HydrophobicContact CG-CD2 3.85Å; F618-L623 HydrophobicContact CG-CG 4.48Å; F618-L626 HydrophobicContact CD1-CD1 3.53Å; F618-L626 HydrophobicContact CD2-CD1 4.5Å; F618-L626 HydrophobicContact CE1-CD1 3.37Å; F618-L626 HydrophobicContact CE2-CD1 4.35Å; F618-L626 HydrophobicContact CG-CD1 4.1Å; F618-L626 HydrophobicContact CZ-CD1 3.8Å
619	S	69.9	Low	66.3	Low	58 Å²	58	65.9 Å²	65.9	41%	0.406	31%	0.31	S	S	.	.			trans	-63.2	162.7	164.7	72.7	0	0	0	0	110.2	D621 D622 L623	S619-D621 PolarHBondContact O-N 3.14Å; S619-D622 VanDerWaalsContact CB-OD2 3.28Å; S619-D622 WeakPolarHBondContact CB-OD2 3.05Å; S619-D622 PolarHBondContact N-OD2 3.13Å; S619-D622 WeakPolarHBondContact O-CB 3.48Å; S619-D622 PolarHBondContact O-N 3.39Å; S619-D622 WeakPolarHBondContact OG-CB 3.22Å; S619-D622 PolarHBondContact OG-N 2.91Å; S619-D622 PolarHBondContact OG-OD2 2.97Å; S619-L623 WeakPolarHBondContact O-CG 3.42Å; S619-L623 PolarHBondContact O-N 3.43Å
620	L	71.6	Confident	68.8	Low	53 Å²	53	67.2 Å²	67.2	28%	0.277	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-33.2	177	-65.8	170.2	0	0	0	111.8	M388 L399 L623 R624	M388-L620 HydrophobicContact CE-CB 3.38Å; M388-L620 HydrophobicContact CE-CD1 4.19Å; M388-L620 HydrophobicContact CE-CG 4.38Å; M388-L620 HydrophobicContact CG-CB 4.19Å; M388-L620 HydrophobicContact CG-CD1 3.92Å; M388-L620 HydrophobicContact CG-CG 4.45Å; M388-L620 HydrophobicContact SD-CB 4.1Å; L399-L620 HydrophobicContact CD2-CD2 3.27Å; L620-L623 PolarHBondContact O-N 3.41Å; L620-R624 WeakPolarHBondContact O-CB 3.43Å; L620-R624 PolarHBondContact O-N 3.48Å
621	D	75.3	Confident	71.2	Confident	87 Å²	87	64.7 Å²	64.7	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-68.9	-40.4	173.3	-81.1	-50.4	0	0	0	112	S619 L623 R624 E625	S619-D621 PolarHBondContact O-N 3.14Å; D621-L623 VanDerWaalsContact C-N 3.33Å; D621-L623 PolarHBondContact O-N 3.23Å; D621-R624 PolarHBondContact O-N 3.41Å; D621-R624 IonicContact OD1-CZ 3.78Å; D621-R624 IonicContact OD1-NE 3.58Å; D621-R624 IonicContact OD1-NH2 3.12Å; D621-R624 PolarHBondContact OD1-NH2 2.87Å; D621-R624 VanDerWaalsContact OD1-NH2 3.12Å; D621-E625 WeakPolarHBondContact O-CB 3.39Å; D621-E625 PolarHBondContact O-N 2.7Å
622	D	78.2	Confident	73.7	Confident	41 Å²	41	69.5 Å²	69.5	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-58.3	-45.9	171.9	-71.6	-59.7	0	0	0	111.5	R596 F618 S619 E625 L626	R596-D622 IonicContact CZ-OD1 2.65Å; R596-D622 IonicContact NH1-OD1 3.92Å; R596-D622 IonicContact NH2-OD1 3.56Å; R596-D622 PolarHBondContact NH2-OD1 3.04Å; F618-D622 HydrophobicContact CB-CB 4.08Å; F618-D622 HydrophobicContact CD1-CB 4.06Å; S619-D622 VanDerWaalsContact CB-OD2 3.28Å; S619-D622 WeakPolarHBondContact CB-OD2 3.05Å; S619-D622 PolarHBondContact N-OD2 3.13Å; S619-D622 WeakPolarHBondContact O-CB 3.48Å; S619-D622 PolarHBondContact O-N 3.39Å; S619-D622 WeakPolarHBondContact OG-CB 3.22Å; S619-D622 PolarHBondContact OG-N 2.91Å; S619-D622 PolarHBondContact OG-OD2 2.97Å; D622-E625 PolarHBondContact O-N 2.75Å; D622-L626 WeakPolarHBondContact O-CB 3.47Å; D622-L626 WeakPolarHBondContact O-CG 3.31Å; D622-L626 PolarHBondContact O-N 3.33Å
623	L	80.3	Confident	76.1	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-44.8	178.9	-71.7	178.9	0	0	0	111.4	L399 S403 F618 S619 L620 D621 E625 L626 F627	L399-L623 HydrophobicContact CG-CD1 4.37Å; S403-L623 WeakPolarHBondContact OG-CD1 3.48Å; F618-L623 HydrophobicContact CB-CD1 4.44Å; F618-L623 HydrophobicContact CB-CD2 3.5Å; F618-L623 HydrophobicContact CB-CG 3.63Å; F618-L623 HydrophobicContact CD2-CD2 3.93Å; F618-L623 HydrophobicContact CG-CD2 3.85Å; F618-L623 HydrophobicContact CG-CG 4.48Å; S619-L623 WeakPolarHBondContact O-CG 3.42Å; S619-L623 PolarHBondContact O-N 3.43Å; L620-L623 PolarHBondContact O-N 3.41Å; D621-L623 VanDerWaalsContact C-N 3.33Å; D621-L623 PolarHBondContact O-N 3.23Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 2.82Å; L623-L626 PolarHBondContact O-N 2.99Å; L623-F627 HydrophobicContact CB-CD2 4.46Å; L623-F627 HydrophobicContact CB-CE2 4.27Å; L623-F627 HydrophobicContact CD2-CE2 4.21Å; L623-F627 WeakPolarHBondContact O-CD2 3.41Å; L623-F627 WeakPolarHBondContact O-CG 3.43Å; L623-F627 PolarHBondContact O-N 2.93Å
624	R	83	Confident	78.5	Confident	122 Å²	122	64.1 Å²	64.1	46%	0.46	31%	0.308	S	S	.	.	H	α-helix	trans	-58.6	-47.5	176.1	-176.1	174.3	64.7	123.4	-4.2	110.3	L620 D621 F627 M628	L620-R624 WeakPolarHBondContact O-CB 3.43Å; L620-R624 PolarHBondContact O-N 3.48Å; D621-R624 PolarHBondContact O-N 3.41Å; D621-R624 IonicContact OD1-CZ 3.78Å; D621-R624 IonicContact OD1-NE 3.58Å; D621-R624 IonicContact OD1-NH2 3.12Å; D621-R624 PolarHBondContact OD1-NH2 2.87Å; D621-R624 VanDerWaalsContact OD1-NH2 3.12Å; R624-F627 PolarHBondContact O-N 2.6Å; R624-M628 WeakPolarHBondContact O-CG 3.11Å; R624-M628 PolarHBondContact O-N 2.93Å
625	E	85.4	Confident	80.7	Confident	55 Å²	55	62.9 Å²	62.9	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-49.4	176.3	-171.1	-172.8	166.9	0	0	110.6	K592 D621 D622 L623 F627 M628 R640	K592-E625 WeakPolarHBondContact CD-O 3.37Å; K592-E625 VanDerWaalsContact CE-O 3.32Å; K592-E625 WeakPolarHBondContact CE-O 3.42Å; K592-E625 PolarHBondContact NZ-O 2.98Å; D621-E625 WeakPolarHBondContact O-CB 3.39Å; D621-E625 PolarHBondContact O-N 2.7Å; D622-E625 PolarHBondContact O-N 2.75Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 2.82Å; E625-F627 VanDerWaalsContact C-N 3.28Å; E625-F627 PolarHBondContact O-N 3.4Å; E625-M628 WeakPolarHBondContact O-CB 3.33Å; E625-M628 PolarHBondContact O-N 3.43Å; E625-R640 IonicContact OE1-CZ 3.34Å; E625-R640 IonicContact OE1-NH1 3.95Å; E625-R640 PolarHBondContact OE1-NH1 3.31Å; E625-R640 IonicContact OE1-NH2 2.73Å; E625-R640 PolarHBondContact OE1-NH2 3.34Å
626	L	86.4	Confident	82.9	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-57.4	-38.8	-179.8	-74.4	170.2	0	0	0	112.8	I407 W557 I589 K592 F618 D622 L623 M628	I407-L626 HydrophobicContact CD1-CD1 4.32Å; W557-L626 HydrophobicContact CH2-CD1 4.46Å; W557-L626 HydrophobicContact CH2-CD2 4.08Å; I589-L626 HydrophobicContact CG1-CD2 4.16Å; K592-L626 HydrophobicContact CB-CD2 4.06Å; K592-L626 HydrophobicContact CD-CD2 4.34Å; K592-L626 PolarHBondContact NZ-O 3.3Å; F618-L626 HydrophobicContact CD1-CD1 3.53Å; F618-L626 HydrophobicContact CD2-CD1 4.5Å; F618-L626 HydrophobicContact CE1-CD1 3.37Å; F618-L626 HydrophobicContact CE2-CD1 4.35Å; F618-L626 HydrophobicContact CG-CD1 4.1Å; F618-L626 HydrophobicContact CZ-CD1 3.8Å; D622-L626 WeakPolarHBondContact O-CB 3.47Å; D622-L626 WeakPolarHBondContact O-CG 3.31Å; D622-L626 PolarHBondContact O-N 3.33Å; L623-L626 PolarHBondContact O-N 2.99Å; L626-M628 VanDerWaalsContact C-N 3.31Å; L626-M628 PolarHBondContact O-N 2.61Å
627	F	89.7	Confident	84.8	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.013	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	15.9	178.3	-58.3	-46.8	0	0	0	114.7	V377 M380 V384 I407 L410 L623 R624 E625	V377-F627 WeakPolarHBondContact CB-O 3.27Å; M380-F627 HydrophobicContact CB-CB 4.43Å; M380-F627 HydrophobicContact CB-CD1 4.41Å; M380-F627 HydrophobicContact CB-CD2 4.18Å; M380-F627 HydrophobicContact CB-CG 4.1Å; V384-F627 HydrophobicContact CG2-CD2 4.07Å; V384-F627 HydrophobicContact CG2-CE2 4.22Å; I407-F627 HydrophobicContact CG1-CE1 3.96Å; I407-F627 HydrophobicContact CG1-CZ 4.08Å; L410-F627 HydrophobicContact CD1-CD1 3.67Å; L410-F627 HydrophobicContact CD1-CE1 3.87Å; L623-F627 HydrophobicContact CB-CD2 4.46Å; L623-F627 HydrophobicContact CB-CE2 4.27Å; L623-F627 HydrophobicContact CD2-CE2 4.21Å; L623-F627 WeakPolarHBondContact O-CD2 3.41Å; L623-F627 WeakPolarHBondContact O-CG 3.43Å; L623-F627 PolarHBondContact O-N 2.93Å; R624-F627 PolarHBondContact O-N 2.6Å; E625-F627 VanDerWaalsContact C-N 3.28Å; E625-F627 PolarHBondContact O-N 3.4Å
628	M	91.1	Very high	86.6	Confident	84 Å²	84	46 Å²	46	41%	0.414	23%	0.23	S	C	.	.			trans	-81.8	152.9	164.1	-68.9	174.4	69.5	0	0	111.6	K592 R624 E625 L626	K592-M628 VanDerWaalsContact NZ-C 3.34Å; K592-M628 PolarHBondContact NZ-O 3.21Å; R624-M628 WeakPolarHBondContact O-CG 3.11Å; R624-M628 PolarHBondContact O-N 2.93Å; E625-M628 WeakPolarHBondContact O-CB 3.33Å; E625-M628 PolarHBondContact O-N 3.43Å; L626-M628 VanDerWaalsContact C-N 3.31Å; L626-M628 PolarHBondContact O-N 2.61Å
629	Y	95.8	Very high	87.9	Confident	35 Å²	35	48.8 Å²	48.8	14%	0.137	25%	0.246	C	C	.	.			trans	-132.4	124	170.9	175.3	-130.5	0	0	0	109.2	L365 R370 Y373 G587 T588	L365-Y629 HydrophobicContact CD1-CE2 4.06Å; R370-Y629 HydrophobicContact CG-CE1 4.12Å; Y373-Y629 HydrophobicContact CD1-CD1 4.21Å; Y373-Y629 HydrophobicContact CD1-CD2 4.03Å; Y373-Y629 AromaticContact CD1-CG 3.89Å; Y373-Y629 HydrophobicContact CD1-CG 3.89Å; Y373-Y629 AromaticContact CE1-CD2 3.84Å; Y373-Y629 HydrophobicContact CE1-CD2 3.84Å; Y373-Y629 AromaticContact CE1-CG 3.89Å; Y373-Y629 HydrophobicContact CE1-CG 3.89Å; G587-Y629 WeakPolarHBondContact O-CD2 3.47Å; T588-Y629 HydrophobicContact CG2-CD2 4.12Å; T588-Y629 HydrophobicContact CG2-CE2 3.92Å
630	H	94.9	Very high	88.7	Confident	61 Å²	61	51.5 Å²	51.5	28%	0.282	25%	0.248	S	C	.	.			trans	-103.1	93.3	177.6	-58.1	127.6	0	0	0	108.6	G587 T633 D636	G587-H630 PolarHBondContact O-N 2.73Å; H630-T633 HydrophobicContact CB-CG2 3.83Å; H630-T633 WeakPolarHBondContact O-CG2 3.34Å; H630-D636 IonicContact CE1-OD1 2.81Å; H630-D636 PolarHBondContact CE1-OD1 2.81Å; H630-D636 IonicContact CG-OD1 2.67Å; H630-D636 IonicContact ND1-OD1 3.8Å; H630-D636 PolarHBondContact ND1-OD1 3.26Å; H630-D636 IonicContact ND1-OD2 2.64Å
631	S	92.1	Very high	89.3	Confident	48 Å²	48	52 Å²	52	34%	0.336	25%	0.248	S	C	.	.	S	Bend	trans	-73.3	-27.9	-176.1	57.7	0	0	0	0	114.2
632	E	92.8	Very high	89.5	Confident	166 Å²	166	56.2 Å²	56.2	78%	0.776	26%	0.262	S	S	*	.	S	Bend	trans	-92.3	-7.8	-173.1	-53.4	-48.6	122.9	0	0	113.3
633	T	94.5	Very high	90	Very high	11 Å²	11	55.2 Å²	55.2	7%	0.067	26%	0.258	C	S	.	.			trans	-74.1	146.5	177.9	-172.7	0	0	0	0	110.8	T586 H630 S635 D636 D639	T586-T633 HydrophobicContact CG2-CG2 3.91Å; T586-T633 VanDerWaalsContact CG2-O 3.31Å; T586-T633 WeakPolarHBondContact CG2-O 3.44Å; H630-T633 HydrophobicContact CB-CG2 3.83Å; H630-T633 WeakPolarHBondContact O-CG2 3.34Å; T633-S635 PolarHBondContact OG1-N 3.04Å; T633-S635 PolarHBondContact OG1-O 3.45Å; T633-D636 HydrophobicContact CG2-CB 4.17Å; T633-D636 PolarHBondContact OG1-N 3.37Å; T633-D639 WeakPolarHBondContact CB-OD2 3.17Å; T633-D639 PolarHBondContact OG1-OD2 3.37Å
634	L	94.3	Very high	90.4	Very high	74 Å²	74	66.2 Å²	66.2	39%	0.387	30%	0.299	S	S	.	.	S	Bend	trans	-82.2	-30.3	166	-60	177.4	0	0	0	110.8	T586 Y672 S692 F693	T586-L634 VanDerWaalsContact CG2-O 3.31Å; T586-L634 WeakPolarHBondContact CG2-O 3.42Å; L634-Y672 HydrophobicContact CD1-CD1 3.63Å; L634-Y672 HydrophobicContact CD1-CE1 4.23Å; L634-S692 WeakPolarHBondContact O-CB 3.4Å; L634-S692 PolarHBondContact O-OG 2.85Å; L634-F693 HydrophobicContact CB-CB 4.48Å; L634-F693 HydrophobicContact CB-CD2 4.48Å; L634-F693 WeakPolarHBondContact O-CB 3.4Å
635	S	95.7	Very high	90.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.007	28%	0.283	C	S	.	.			trans	-163.6	115.1	170.4	169	0	0	0	0	109.8	E591 T633 T637 H638 D639 F695	E591-S635 VanDerWaalsContact OE1-C 3.31Å; E591-S635 WeakPolarHBondContact OE1-CA 3.4Å; E591-S635 WeakPolarHBondContact OE1-CB 3.37Å; E591-S635 PolarHBondContact OE1-OG 3.41Å; T633-S635 PolarHBondContact OG1-N 3.04Å; T633-S635 PolarHBondContact OG1-O 3.45Å; S635-T637 PolarHBondContact O-N 3.34Å; S635-T637 PolarHBondContact OG-N 3.18Å; S635-H638 PolarHBondContact O-N 2.89Å; S635-H638 VanDerWaalsContact O-N 3.1Å; S635-H638 PolarHBondContact OG-N 3.01Å; S635-H638 VanDerWaalsContact OG-N 3.17Å; S635-D639 PolarHBondContact O-N 3.41Å; S635-D639 VanDerWaalsContact O-N 3.07Å; S635-F695 WeakPolarHBondContact OG-CE2 3.43Å
636	D	94.5	Very high	91.1	Very high	11 Å²	11	60.3 Å²	60.3	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-34.6	175.6	-172.5	57.3	0	0	0	111.3	E591 Q595 H630 T633 D639 R640	E591-D636 HydrophobicContact CG-CB 4.14Å; E591-D636 PolarHBondContact OE1-N 3.2Å; E591-D636 WeakPolarHBondContact OE2-CB 3.08Å; E591-D636 PolarHBondContact OE2-N 2.97Å; Q595-D636 PolarHBondContact NE2-OD2 3.46Å; H630-D636 IonicContact CE1-OD1 2.81Å; H630-D636 PolarHBondContact CE1-OD1 2.81Å; H630-D636 IonicContact CG-OD1 2.67Å; H630-D636 IonicContact ND1-OD1 3.8Å; H630-D636 PolarHBondContact ND1-OD1 3.26Å; H630-D636 IonicContact ND1-OD2 2.64Å; T633-D636 HydrophobicContact CG2-CB 4.17Å; T633-D636 PolarHBondContact OG1-N 3.37Å; D636-D639 PolarHBondContact O-N 3.41Å; D636-R640 WeakPolarHBondContact O-CG 3.41Å; D636-R640 PolarHBondContact O-N 3.16Å; D636-R640 IonicContact OD2-CZ 3.78Å; D636-R640 IonicContact OD2-NE 2.73Å; D636-R640 PolarHBondContact OD2-NE 3.45Å; D636-R640 IonicContact OD2-NH2 2.7Å; D636-R640 PolarHBondContact OD2-NH2 3.46Å
637	T	93.8	Very high	91.1	Very high	8 Å²	8	64.1 Å²	64.1	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-46.3	176.1	-51.6	0	0	0	0	111.3	E591 Q595 S635 D639 R640 F641 F665 F695	E591-T637 WeakPolarHBondContact CG-OG1 3.42Å; E591-T637 WeakPolarHBondContact OE1-CB 3.32Å; E591-T637 PolarHBondContact OE1-N 2.93Å; E591-T637 PolarHBondContact OE1-OG1 2.59Å; Q595-T637 HydrophobicContact CG-CG2 4.03Å; Q595-T637 WeakPolarHBondContact CG-OG1 3.35Å; Q595-T637 PolarHBondContact NE2-OG1 3.01Å; S635-T637 PolarHBondContact O-N 3.34Å; S635-T637 PolarHBondContact OG-N 3.18Å; T637-D639 VanDerWaalsContact C-N 3.35Å; T637-R640 PolarHBondContact O-N 3.03Å; T637-F641 WeakPolarHBondContact O-CD1 3.32Å; T637-F641 WeakPolarHBondContact O-CE1 3.5Å; T637-F665 HydrophobicContact CG2-CD2 4.45Å; T637-F695 HydrophobicContact CG2-CE2 4.43Å; T637-F695 HydrophobicContact CG2-CZ 4.21Å
638	H	94.3	Very high	91	Very high	14 Å²	14	71.3 Å²	71.3	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-63.9	-40.8	178.6	-179.4	-84.3	0	0	0	112.2	S635 R640 F641 C643 H670 Y672 F693 F695	S635-H638 PolarHBondContact O-N 2.89Å; S635-H638 VanDerWaalsContact O-N 3.1Å; S635-H638 PolarHBondContact OG-N 3.01Å; S635-H638 VanDerWaalsContact OG-N 3.17Å; H638-R640 VanDerWaalsContact C-N 3.3Å; H638-R640 PolarHBondContact O-N 2.67Å; H638-F641 VanDerWaalsContact CA-CE1 3.47Å; H638-F641 HydrophobicContact CB-CE1 4.47Å; H638-F641 HydrophobicContact CB-CZ 4.33Å; H638-F641 AromaticContact CD2-CZ 3.69Å; H638-C643 VanDerWaalsContact CE1-CB 3.45Å; H638-C643 WeakPolarHBondContact CE1-CB 3.24Å; H638-C643 WeakPolarHBondContact NE2-CB 3.32Å; H638-H670 AromaticContact NE2-NE2 3.82Å; H638-Y672 PolarHBondContact CE1-OH 3.3Å; H638-Y672 PolarHBondContact NE2-OH 2.89Å; H638-F693 HydrophobicContact CB-CE1 4.17Å; H638-F693 HydrophobicContact CB-CE2 4.48Å; H638-F693 HydrophobicContact CB-CZ 3.96Å; H638-F693 AromaticContact CD2-CZ 3.48Å; H638-F693 VanDerWaalsContact CD2-CZ 3.48Å; H638-F693 WeakPolarHBondContact CD2-CZ 3.29Å; H638-F693 AromaticContact CG-CZ 3.76Å; H638-F695 HydrophobicContact CB-CZ 3.85Å
639	D	92.1	Very high	90.8	Very high	87 Å²	87	70.3 Å²	70.3	47%	0.465	34%	0.341	S	S	.	.	H	α-helix	trans	-63.2	-37.1	-178.3	-68	-14.3	0	0	0	112	T633 S635 D636 T637 F641 K642	T633-D639 WeakPolarHBondContact CB-OD2 3.17Å; T633-D639 PolarHBondContact OG1-OD2 3.37Å; S635-D639 PolarHBondContact O-N 3.41Å; S635-D639 VanDerWaalsContact O-N 3.07Å; D636-D639 PolarHBondContact O-N 3.41Å; T637-D639 VanDerWaalsContact C-N 3.35Å; D639-F641 PolarHBondContact O-N 2.98Å; D639-K642 PolarHBondContact O-N 3.02Å
640	R	87	Confident	90.4	Very high	115 Å²	115	72.9 Å²	72.9	43%	0.434	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-41.8	-177	-78.5	179.7	-174.7	-135.9	0.2	114.7	E625 D636 T637 H638 K642	E625-R640 IonicContact OE1-CZ 3.34Å; E625-R640 IonicContact OE1-NH1 3.95Å; E625-R640 PolarHBondContact OE1-NH1 3.31Å; E625-R640 IonicContact OE1-NH2 2.73Å; E625-R640 PolarHBondContact OE1-NH2 3.34Å; D636-R640 WeakPolarHBondContact O-CG 3.41Å; D636-R640 PolarHBondContact O-N 3.16Å; D636-R640 IonicContact OD2-CZ 3.78Å; D636-R640 IonicContact OD2-NE 2.73Å; D636-R640 PolarHBondContact OD2-NE 3.45Å; D636-R640 IonicContact OD2-NH2 2.7Å; D636-R640 PolarHBondContact OD2-NH2 3.46Å; T637-R640 PolarHBondContact O-N 3.03Å; H638-R640 VanDerWaalsContact C-N 3.3Å; H638-R640 PolarHBondContact O-N 2.67Å; R640-K642 VanDerWaalsContact C-N 3.3Å; R640-K642 PolarHBondContact O-N 3.44Å
641	F	83.8	Confident	90.2	Very high	64 Å²	64	72 Å²	72	28%	0.281	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	5.8	-176.9	60.8	-101.6	0	0	0	113.9	T637 H638 D639 C643 F695	T637-F641 WeakPolarHBondContact O-CD1 3.32Å; T637-F641 WeakPolarHBondContact O-CE1 3.5Å; H638-F641 VanDerWaalsContact CA-CE1 3.47Å; H638-F641 HydrophobicContact CB-CE1 4.47Å; H638-F641 HydrophobicContact CB-CZ 4.33Å; H638-F641 AromaticContact CD2-CZ 3.69Å; D639-F641 PolarHBondContact O-N 2.98Å; F641-C643 HydrophobicContact CD2-CB 4.05Å; F641-C643 HydrophobicContact CE2-CB 3.6Å; F641-C643 PolarHBondContact O-N 2.64Å; F641-F695 HydrophobicContact CE1-CE1 4.12Å; F641-F695 HydrophobicContact CE1-CZ 4.24Å; F641-F695 AromaticContact CZ-CE1 3.94Å; F641-F695 HydrophobicContact CZ-CE1 3.94Å; F641-F695 HydrophobicContact CZ-CZ 4.38Å
642	K	80.5	Confident	90	Very high	175 Å²	175	75 Å²	75	76%	0.761	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	60	175.2	-61.6	-178	-179.6	178.2	0	112.2	D639 R640 R644	D639-K642 PolarHBondContact O-N 3.02Å; R640-K642 VanDerWaalsContact C-N 3.3Å; R640-K642 PolarHBondContact O-N 3.44Å; K642-R644 PolarHBondContact O-N 3.24Å
643	C	87.8	Confident	89.8	Confident	20 Å²	20	73.6 Å²	73.6	14%	0.135	36%	0.358	C	S	.	.			trans	-49.2	117.7	-172.8	-173.4	0	0	0	0	113.8	H638 F641 R645 C646 H670	H638-C643 VanDerWaalsContact CE1-CB 3.45Å; H638-C643 WeakPolarHBondContact CE1-CB 3.24Å; H638-C643 WeakPolarHBondContact NE2-CB 3.32Å; F641-C643 HydrophobicContact CD2-CB 4.05Å; F641-C643 HydrophobicContact CE2-CB 3.6Å; F641-C643 PolarHBondContact O-N 2.64Å; C643-R645 VanDerWaalsContact C-N 3.27Å; C643-R645 PolarHBondContact O-N 3.27Å; C643-R645 PolarHBondContact SG-N 3.32Å; C643-R645 VanDerWaalsContact SG-N 3.39Å; C643-C646 VanDerWaalsContact SG-SG 3.66Å; C643-H670 VanDerWaalsContact SG-CE1 3.56Å
644	R	88.4	Confident	89.4	Confident	236 Å²	236	77.7 Å²	77.7	89%	0.891	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	1.1	174.8	-56.9	-175.7	-175.2	-173.3	1.4	113.8	K642	K642-R644 PolarHBondContact O-N 3.24Å
645	R	91.8	Very high	89.1	Confident	30 Å²	30	75 Å²	75	11%	0.113	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.8	-179.5	-62.8	166.3	51.3	-165.3	-5.3	112.7	C643 I652 K653 P654 S666 Q667 W668	C643-R645 VanDerWaalsContact C-N 3.27Å; C643-R645 PolarHBondContact O-N 3.27Å; C643-R645 PolarHBondContact SG-N 3.32Å; C643-R645 VanDerWaalsContact SG-N 3.39Å; R645-I652 PolarHBondContact O-N 3.27Å; R645-K653 HydrophobicContact CB-CB 3.97Å; R645-K653 HydrophobicContact CG-CB 3.95Å; R645-K653 PolarHBondContact NE-O 2.96Å; R645-K653 VanDerWaalsContact NE-O 3.08Å; R645-K653 PolarHBondContact NH2-O 3.22Å; R645-K653 PolarHBondContact O-N 2.88Å; R645-P654 PolarHBondContact NE-O 3.3Å; R645-P654 PolarHBondContact NH2-O 3.19Å; R645-S666 PolarHBondContact NH1-O 3.45Å; R645-S666 VanDerWaalsContact NH1-O 3.08Å; R645-Q667 VanDerWaalsContact NH1-C 3.3Å; R645-Q667 PolarHBondContact NH1-O 2.79Å; R645-W668 PolarHBondContact NH1-O 2.81Å; R645-W668 PolarHBondContact NH2-O 2.89Å
646	C	91	Very high	88.7	Confident	23 Å²	23	78 Å²	78	16%	0.155	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.6	-179	-67.9	0	0	0	0	111.9	C643 V650 H670 Y672	C643-C646 VanDerWaalsContact SG-SG 3.66Å; C646-V650 VanDerWaalsContact CA-O 3.29Å; C646-V650 WeakPolarHBondContact CA-O 3.38Å; C646-H670 PolarHBondContact SG-NE2 3.06Å; C646-Y672 PolarHBondContact SG-OH 3.48Å
647	V	88	Confident	88.2	Confident	80 Å²	80	87.1 Å²	87.1	49%	0.485	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.6	164.4	-178.7	0	0	0	0	107.1	S649 V650 I652	V647-S649 VanDerWaalsContact C-N 3.3Å; V647-S649 PolarHBondContact O-N 3.24Å; V647-V650 PolarHBondContact N-O 3.48Å; V647-V650 PolarHBondContact O-N 3.49Å; V647-I652 HydrophobicContact CB-CD1 3.55Å; V647-I652 HydrophobicContact CB-CG1 4.29Å; V647-I652 HydrophobicContact CG1-CD1 4.43Å; V647-I652 HydrophobicContact CG2-CD1 3.7Å; V647-I652 HydrophobicContact CG2-CG1 4.41Å
648	N	86.6	Confident	87.7	Confident	154 Å²	154	90.7 Å²	90.7	82%	0.824	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	47.1	179.5	-60.7	-22.7	0	0	0	113.7	V650	N648-V650 PolarHBondContact O-N 3.3Å
649	S	86.3	Confident	87.4	Confident	64 Å²	64	91.2 Å²	91.2	45%	0.448	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	33.6	-179	-54.9	0	0	0	0	113.9	V647 Y672	V647-S649 VanDerWaalsContact C-N 3.3Å; V647-S649 PolarHBondContact O-N 3.24Å; S649-Y672 VanDerWaalsContact C-CE2 3.42Å; S649-Y672 WeakPolarHBondContact O-CD2 3.29Å; S649-Y672 VanDerWaalsContact O-CG 3.29Å
650	V	88.7	Confident	87.1	Confident	89 Å²	89	89 Å²	89	54%	0.539	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127	169.4	-178.7	0	0	0	0	108.3	C646 V647 N648 I652	C646-V650 VanDerWaalsContact CA-O 3.29Å; C646-V650 WeakPolarHBondContact CA-O 3.38Å; V647-V650 PolarHBondContact N-O 3.48Å; V647-V650 PolarHBondContact O-N 3.49Å; N648-V650 PolarHBondContact O-N 3.3Å; V650-I652 PolarHBondContact O-N 3.22Å
651	Q	89.4	Confident	87	Confident	42 Å²	42	83.7 Å²	83.7	20%	0.196	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	110.5	170.3	173.9	170.5	77.6	0	0	108.9	K653 H670	Q651-K653 VanDerWaalsContact CG-O 3.3Å; Q651-K653 WeakPolarHBondContact CG-O 3.2Å; Q651-H670 PolarHBondContact NE2-CD2 3.43Å; Q651-H670 PolarHBondContact NE2-CE1 3.28Å; Q651-H670 PolarHBondContact NE2-ND1 3.19Å; Q651-H670 VanDerWaalsContact NE2-ND1 3.14Å; Q651-H670 PolarHBondContact NE2-NE2 2.62Å; Q651-H670 PolarHBondContact OE1-O 2.93Å
652	I	89	Confident	87	Confident	111 Å²	111	85.4 Å²	85.4	57%	0.569	46%	0.458	S	S	*	.			trans	-94.4	-34.9	179.8	-57.1	-168.5	0	0	0	110.7	R645 V647 V650	R645-I652 PolarHBondContact O-N 3.27Å; V647-I652 HydrophobicContact CB-CD1 3.55Å; V647-I652 HydrophobicContact CB-CG1 4.29Å; V647-I652 HydrophobicContact CG1-CD1 4.43Å; V647-I652 HydrophobicContact CG2-CD1 3.7Å; V647-I652 HydrophobicContact CG2-CG1 4.41Å; V650-I652 PolarHBondContact O-N 3.22Å
653	K	88.5	Confident	87.1	Confident	137 Å²	137	78.3 Å²	78.3	60%	0.596	43%	0.431	S	S	*	.	S	Bend	trans	-99.4	124.9	178	-67.2	-177.3	-178.9	179.8	0	110.4	R645 Q651	R645-K653 HydrophobicContact CB-CB 3.97Å; R645-K653 HydrophobicContact CG-CB 3.95Å; R645-K653 PolarHBondContact NE-O 2.96Å; R645-K653 VanDerWaalsContact NE-O 3.08Å; R645-K653 PolarHBondContact NH2-O 3.22Å; R645-K653 PolarHBondContact O-N 2.88Å; Q651-K653 VanDerWaalsContact CG-O 3.3Å; Q651-K653 WeakPolarHBondContact CG-O 3.2Å
654	P	86.3	Confident	87.1	Confident	97 Å²	97	80.5 Å²	80.5	63%	0.63	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-65.7	173.4	178.8	30.8	-36.3	0	0	0	111.3	R645	R645-P654 PolarHBondContact NE-O 3.3Å; R645-P654 PolarHBondContact NH2-O 3.19Å
655	A	87.3	Confident	87.1	Confident	17 Å²	17	70.1 Å²	70.1	14%	0.14	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-58.9	145.2	172.4	0	0	0	0	0	110.4	Q667 N669	A655-Q667 WeakPolarHBondContact CB-O 3.38Å; A655-N669 WeakPolarHBondContact CB-OD1 3.45Å; A655-N669 PolarHBondContact N-OD1 3.23Å
656	P	87.7	Confident	86.9	Confident	65 Å²	65	70.5 Å²	70.5	42%	0.422	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-54.6	144.4	172.8	-20.9	30.4	0	0	0	111.3	T659	P656-T659 HydrophobicContact CB-CG2 3.8Å; P656-T659 HydrophobicContact CG-CG2 4.14Å; P656-T659 WeakPolarHBondContact O-CB 3.43Å; P656-T659 VanDerWaalsContact O-CG2 3.26Å; P656-T659 WeakPolarHBondContact O-CG2 3.49Å; P656-T659 PolarHBondContact O-N 2.9Å; P656-T659 PolarHBondContact O-OG1 3.47Å
657	E	84.9	Confident	86.8	Confident	201 Å²	201	73 Å²	73	94%	0.939	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	143.7	176.6	-65.9	-178.4	178.3	0	0	111.1	T659	E657-T659 VanDerWaalsContact C-N 3.27Å; E657-T659 PolarHBondContact O-N 3.39Å
658	G	82.5	Confident	87.1	Confident	83 Å²	83	69.3 Å²	69.3	86%	0.856	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	1.5	-179.3	0	0	0	0	0	115.7
659	T	87	Confident	87.4	Confident	25 Å²	25	63.1 Å²	63.1	15%	0.153	36%	0.364	C	S	.	.			trans	-75.9	149.9	174.2	57.2	0	0	0	0	111.5	P656 E657 S663 Q667 H697	P656-T659 HydrophobicContact CB-CG2 3.8Å; P656-T659 HydrophobicContact CG-CG2 4.14Å; P656-T659 WeakPolarHBondContact O-CB 3.43Å; P656-T659 VanDerWaalsContact O-CG2 3.26Å; P656-T659 WeakPolarHBondContact O-CG2 3.49Å; P656-T659 PolarHBondContact O-N 2.9Å; P656-T659 PolarHBondContact O-OG1 3.47Å; E657-T659 VanDerWaalsContact C-N 3.27Å; E657-T659 PolarHBondContact O-N 3.39Å; T659-S663 WeakPolarHBondContact CA-OG 3.08Å; T659-S663 WeakPolarHBondContact CB-OG 3.38Å; T659-Q667 HydrophobicContact CG2-CB 3.97Å; T659-H697 PolarHBondContact O-NE2 3.3Å; T659-H697 PolarHBondContact OG1-CE1 3.39Å; T659-H697 VanDerWaalsContact OG1-CE1 3.3Å
660	D	85.9	Confident	87.8	Confident	40 Å²	40	60 Å²	60	21%	0.214	34%	0.342	C	S	.	.			trans	-139.4	-175	-179.7	76.9	-4.4	0	0	0	111.6	N662 S663 H697	D660-N662 PolarHBondContact O-N 3.36Å; D660-N662 WeakPolarHBondContact OD1-CA 3.44Å; D660-N662 VanDerWaalsContact OD1-CB 3.24Å; D660-N662 WeakPolarHBondContact OD1-CB 3.38Å; D660-N662 PolarHBondContact OD1-N 3.4Å; D660-N662 PolarHBondContact OD1-ND2 2.55Å; D660-N662 PolarHBondContact OD2-ND2 3.24Å; D660-S663 PolarHBondContact N-OG 3.17Å; D660-S663 VanDerWaalsContact O-CB 3.28Å; D660-S663 WeakPolarHBondContact O-CB 3.16Å; D660-S663 PolarHBondContact O-N 3.33Å; D660-S663 PolarHBondContact O-OG 3.45Å; D660-S663 PolarHBondContact OD1-N 3.01Å; D660-H697 WeakPolarHBondContact CA-CD2 3.28Å; D660-H697 WeakPolarHBondContact CA-NE2 3.49Å; D660-H697 PolarHBondContact N-NE2 2.86Å; D660-H697 PolarHBondContact O-CD2 3.49Å
661	C	86.8	Confident	88.1	Confident	4 Å²	4	56 Å²	56	3%	0.027	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-5.1	176.4	-61.2	0	0	0	0	114.5	E358 W668 H697 Y698 S699	E358-C661 HydrophobicContact CB-CB 4.42Å; E358-C661 HydrophobicContact CG-CB 4.17Å; C661-W668 HydrophobicContact CB-CZ2 4.29Å; C661-W668 VanDerWaalsContact O-CZ2 3.25Å; C661-W668 WeakPolarHBondContact O-CZ2 3.47Å; C661-H697 PolarHBondContact SG-O 3.22Å; C661-Y698 PolarHBondContact N-O 3.25Å; C661-Y698 PolarHBondContact SG-O 3Å; C661-S699 PolarHBondContact SG-N 3.18Å; C661-S699 VanDerWaalsContact SG-N 3.37Å
662	N	82.1	Confident	88.3	Confident	100 Å²	100	55.7 Å²	55.7	54%	0.535	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.5	175.1	-52	-69.1	0	0	0	112	D660	D660-N662 PolarHBondContact O-N 3.36Å; D660-N662 WeakPolarHBondContact OD1-CA 3.44Å; D660-N662 VanDerWaalsContact OD1-CB 3.24Å; D660-N662 WeakPolarHBondContact OD1-CB 3.38Å; D660-N662 PolarHBondContact OD1-N 3.4Å; D660-N662 PolarHBondContact OD1-ND2 2.55Å; D660-N662 PolarHBondContact OD2-ND2 3.24Å
663	S	84.3	Confident	88.5	Confident	26 Å²	26	53.8 Å²	53.8	18%	0.182	31%	0.309	C	S	.	.	S	Bend	trans	-65.3	158.6	172.8	-60.2	0	0	0	0	111.8	T659 D660 W668	T659-S663 WeakPolarHBondContact CA-OG 3.08Å; T659-S663 WeakPolarHBondContact CB-OG 3.38Å; D660-S663 PolarHBondContact N-OG 3.17Å; D660-S663 VanDerWaalsContact O-CB 3.28Å; D660-S663 WeakPolarHBondContact O-CB 3.16Å; D660-S663 PolarHBondContact O-N 3.33Å; D660-S663 PolarHBondContact O-OG 3.45Å; D660-S663 PolarHBondContact OD1-N 3.01Å; S663-W668 PolarHBondContact O-NE1 3.1Å
664	D	86.7	Confident	88.8	Confident	67 Å²	67	50.9 Å²	50.9	36%	0.358	30%	0.296	S	S	.	.			trans	-61.8	149.9	174.6	178.8	65.1	0	0	0	111.9	S666 Q667 W668	D664-S666 PolarHBondContact O-N 3.22Å; D664-S666 VanDerWaalsContact O-N 3.14Å; D664-S666 WeakPolarHBondContact OD2-CB 3.2Å; D664-S666 PolarHBondContact OD2-N 3.07Å; D664-S666 PolarHBondContact OD2-OG 3.03Å; D664-Q667 WeakPolarHBondContact O-CA 3.26Å; D664-Q667 VanDerWaalsContact O-CB 3.3Å; D664-Q667 WeakPolarHBondContact O-CB 3.46Å; D664-Q667 PolarHBondContact O-N 3.23Å; D664-W668 PolarHBondContact O-N 2.99Å
665	F	88.9	Confident	88.9	Confident	17 Å²	17	54.8 Å²	54.8	8%	0.075	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.9	-177.6	-72.9	-45.5	0	0	0	113.8	V360 L594 A598 T637 Q667 W668 F695	V360-F665 HydrophobicContact CG2-CE1 3.9Å; V360-F665 HydrophobicContact CG2-CZ 4.03Å; L594-F665 HydrophobicContact CD1-CE2 3.67Å; L594-F665 HydrophobicContact CD1-CZ 3.76Å; L594-F665 HydrophobicContact CD2-CE2 4.13Å; L594-F665 HydrophobicContact CG-CE2 3.73Å; L594-F665 HydrophobicContact CG-CZ 4.28Å; A598-F665 HydrophobicContact CB-CD2 3.66Å; A598-F665 HydrophobicContact CB-CE2 3.75Å; T637-F665 HydrophobicContact CG2-CD2 4.45Å; F665-Q667 PolarHBondContact O-N 3.43Å; F665-W668 AromaticContact CD1-CD2 3.74Å; F665-W668 HydrophobicContact CD1-CD2 3.74Å; F665-W668 AromaticContact CD1-CE2 3.78Å; F665-W668 HydrophobicContact CD1-CE3 4.09Å; F665-W668 HydrophobicContact CD1-CG 4.08Å; F665-W668 HydrophobicContact CD1-CZ2 4.16Å; F665-W668 HydrophobicContact CD1-CZ3 4.48Å; F665-W668 HydrophobicContact CE1-CD2 4.05Å; F665-W668 AromaticContact CE1-CE2 3.86Å; F665-W668 HydrophobicContact CE1-CE3 4.11Å; F665-W668 AromaticContact CE1-CH2 3.85Å; F665-W668 HydrophobicContact CE1-CH2 3.85Å; F665-W668 AromaticContact CE1-CZ2 3.74Å; F665-W668 HydrophobicContact CE1-CZ2 3.74Å; F665-W668 HydrophobicContact CE1-CZ3 4.03Å; F665-W668 PolarHBondContact O-N 3.39Å; F665-F695 HydrophobicContact CB-CD1 4.49Å; F665-F695 HydrophobicContact CB-CE1 4.47Å
666	S	87.2	Confident	88.9	Confident	39 Å²	39	56.3 Å²	56.3	27%	0.273	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.7	172.3	67.2	0	0	0	0	113.1	R645 D664	R645-S666 PolarHBondContact NH1-O 3.45Å; R645-S666 VanDerWaalsContact NH1-O 3.08Å; D664-S666 PolarHBondContact O-N 3.22Å; D664-S666 VanDerWaalsContact O-N 3.14Å; D664-S666 WeakPolarHBondContact OD2-CB 3.2Å; D664-S666 PolarHBondContact OD2-N 3.07Å; D664-S666 PolarHBondContact OD2-OG 3.03Å
667	Q	89.2	Confident	89.1	Confident	75 Å²	75	53.2 Å²	53.2	35%	0.35	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-18.6	179.4	-58.1	-176.6	-3.2	0	0	112.8	R645 A655 T659 D664 F665	R645-Q667 VanDerWaalsContact NH1-C 3.3Å; R645-Q667 PolarHBondContact NH1-O 2.79Å; A655-Q667 WeakPolarHBondContact CB-O 3.38Å; T659-Q667 HydrophobicContact CG2-CB 3.97Å; D664-Q667 WeakPolarHBondContact O-CA 3.26Å; D664-Q667 VanDerWaalsContact O-CB 3.3Å; D664-Q667 WeakPolarHBondContact O-CB 3.46Å; D664-Q667 PolarHBondContact O-N 3.23Å; F665-Q667 PolarHBondContact O-N 3.43Å
668	W	93.3	Very high	89.2	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.011	27%	0.272	C	S	.	.	S	Bend	trans	-65.6	160	179.6	-74	35.4	0	0	0	112.5	E358 V360 R645 C661 S663 D664 F665 H670 F695 H697	E358-W668 HydrophobicContact CB-CH2 3.76Å; E358-W668 HydrophobicContact CB-CZ3 4.04Å; V360-W668 HydrophobicContact CG2-CZ3 4.27Å; R645-W668 PolarHBondContact NH1-O 2.81Å; R645-W668 PolarHBondContact NH2-O 2.89Å; C661-W668 HydrophobicContact CB-CZ2 4.29Å; C661-W668 VanDerWaalsContact O-CZ2 3.25Å; C661-W668 WeakPolarHBondContact O-CZ2 3.47Å; S663-W668 PolarHBondContact O-NE1 3.1Å; D664-W668 PolarHBondContact O-N 2.99Å; F665-W668 AromaticContact CD1-CD2 3.74Å; F665-W668 HydrophobicContact CD1-CD2 3.74Å; F665-W668 AromaticContact CD1-CE2 3.78Å; F665-W668 HydrophobicContact CD1-CE3 4.09Å; F665-W668 HydrophobicContact CD1-CG 4.08Å; F665-W668 HydrophobicContact CD1-CZ2 4.16Å; F665-W668 HydrophobicContact CD1-CZ3 4.48Å; F665-W668 HydrophobicContact CE1-CD2 4.05Å; F665-W668 AromaticContact CE1-CE2 3.86Å; F665-W668 HydrophobicContact CE1-CE3 4.11Å; F665-W668 AromaticContact CE1-CH2 3.85Å; F665-W668 HydrophobicContact CE1-CH2 3.85Å; F665-W668 AromaticContact CE1-CZ2 3.74Å; F665-W668 HydrophobicContact CE1-CZ2 3.74Å; F665-W668 HydrophobicContact CE1-CZ3 4.03Å; F665-W668 PolarHBondContact O-N 3.39Å; W668-H670 PolarHBondContact O-ND1 2.67Å; W668-F695 HydrophobicContact CE3-CB 4.07Å; W668-H697 HydrophobicContact CD2-CB 3.75Å; W668-H697 HydrophobicContact CE3-CB 3.85Å; W668-H697 HydrophobicContact CG-CB 4.06Å; W668-H697 HydrophobicContact CZ3-CB 4.34Å
669	N	94.4	Very high	89.8	Confident	23 Å²	23	43.7 Å²	43.7	12%	0.123	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	150.9	163.3	-62.7	-67.9	0	0	0	109.5	A655 F695 W696 H697	A655-N669 WeakPolarHBondContact CB-OD1 3.45Å; A655-N669 PolarHBondContact N-OD1 3.23Å; N669-F695 WeakPolarHBondContact O-CA 3.48Å; N669-W696 HydrophobicContact CB-CD2 3.86Å; N669-W696 VanDerWaalsContact CB-CE2 3.49Å; N669-W696 HydrophobicContact CB-CE3 4.22Å; N669-W696 HydrophobicContact CB-CG 4.42Å; N669-W696 HydrophobicContact CB-CH2 3.95Å; N669-W696 HydrophobicContact CB-CZ2 3.59Å; N669-W696 HydrophobicContact CB-CZ3 4.23Å; N669-W696 WeakPolarHBondContact CB-O 3.43Å; N669-W696 PolarHBondContact N-O 3.42Å; N669-W696 VanDerWaalsContact N-O 3.16Å; N669-W696 PolarHBondContact O-N 3.07Å; N669-H697 PolarHBondContact ND2-ND1 3.39Å
670	H	94.7	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	151.3	-178.6	50.9	-101.2	0	0	0	111.9	H638 C643 C646 Q651 W668 F693 V694 F695	H638-H670 AromaticContact NE2-NE2 3.82Å; C643-H670 VanDerWaalsContact SG-CE1 3.56Å; C646-H670 PolarHBondContact SG-NE2 3.06Å; Q651-H670 PolarHBondContact NE2-CD2 3.43Å; Q651-H670 PolarHBondContact NE2-CE1 3.28Å; Q651-H670 PolarHBondContact NE2-ND1 3.19Å; Q651-H670 VanDerWaalsContact NE2-ND1 3.14Å; Q651-H670 PolarHBondContact NE2-NE2 2.62Å; Q651-H670 PolarHBondContact OE1-O 2.93Å; W668-H670 PolarHBondContact O-ND1 2.67Å; H670-F693 HydrophobicContact CB-CE1 3.7Å; H670-F693 HydrophobicContact CB-CZ 3.51Å; H670-F693 AromaticContact CD2-CZ 3.95Å; H670-F693 AromaticContact CG-CZ 3.9Å; H670-V694 CarbonylContact C-O 3.57Å; H670-V694 VanDerWaalsContact CA-O 3.23Å; H670-V694 WeakPolarHBondContact CA-O 3.32Å; H670-F695 HydrophobicContact CB-CD1 3.88Å; H670-F695 HydrophobicContact CB-CE1 4.29Å
671	C	94.6	Very high	90.7	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.034	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.4	-176.4	60.6	0	0	0	0	113.3	A676 L677 V694	C671-A676 HydrophobicContact CB-CB 3.9Å; C671-L677 VanDerWaalsContact SG-CD2 3.53Å; C671-V694 PolarHBondContact N-O 3.03Å; C671-V694 PolarHBondContact O-N 3.41Å
672	Y	93.9	Very high	91.2	Very high	34 Å²	34	44.4 Å²	44.4	13%	0.133	24%	0.239	C	C	.	.	S	Bend	trans	-97.8	-5.1	176.4	-52.5	-99.8	0	0	0	112.1	L634 H638 C646 S649 W686 F693	L634-Y672 HydrophobicContact CD1-CD1 3.63Å; L634-Y672 HydrophobicContact CD1-CE1 4.23Å; H638-Y672 PolarHBondContact CE1-OH 3.3Å; H638-Y672 PolarHBondContact NE2-OH 2.89Å; C646-Y672 PolarHBondContact SG-OH 3.48Å; S649-Y672 VanDerWaalsContact C-CE2 3.42Å; S649-Y672 WeakPolarHBondContact O-CD2 3.29Å; S649-Y672 VanDerWaalsContact O-CG 3.29Å; Y672-W686 VanDerWaalsContact C-CZ2 3.48Å; Y672-W686 WeakPolarHBondContact O-CZ2 3.45Å; Y672-F693 AromaticContact CD1-CD2 3.57Å; Y672-F693 HydrophobicContact CD1-CD2 3.57Å; Y672-F693 AromaticContact CD1-CE2 3.57Å; Y672-F693 HydrophobicContact CD1-CE2 3.57Å; Y672-F693 HydrophobicContact CD2-CE2 4.06Å; Y672-F693 AromaticContact CE1-CD2 3.8Å; Y672-F693 HydrophobicContact CE1-CD2 3.8Å; Y672-F693 AromaticContact CE1-CE2 3.41Å; Y672-F693 HydrophobicContact CE1-CE2 3.41Å; Y672-F693 VanDerWaalsContact CE1-CE2 3.41Å; Y672-F693 AromaticContact CE2-CE2 3.9Å; Y672-F693 HydrophobicContact CE2-CE2 3.9Å; Y672-F693 HydrophobicContact CG-CD2 4.03Å; Y672-F693 AromaticContact CG-CE2 3.93Å; Y672-F693 HydrophobicContact CG-CE2 3.93Å; Y672-F693 AromaticContact CZ-CE2 3.59Å
673	T	93.2	Very high	91.9	Very high	71 Å²	71	42.9 Å²	42.9	44%	0.436	23%	0.228	S	C	.	.	S	Bend	trans	-145.9	159.3	178.6	73.5	0	0	0	0	110.2	K675	T673-K675 PolarHBondContact O-N 3.32Å
674	K	93.2	Very high	92.4	Very high	76 Å²	76	43.4 Å²	43.4	33%	0.33	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.5	-15	178.2	67.5	-177.2	-176.8	-174.1	0	115.9	A676 L677 K683 W686 D687	K674-A676 VanDerWaalsContact C-N 3.33Å; K674-A676 PolarHBondContact O-N 2.88Å; K674-L677 PolarHBondContact O-N 3.13Å; K674-K683 HydrophobicContact CB-CG 4.35Å; K674-K683 VanDerWaalsContact CD-O 3.3Å; K674-K683 WeakPolarHBondContact CD-O 3.32Å; K674-K683 WeakPolarHBondContact O-CE 3.46Å; K674-K683 WeakPolarHBondContact O-CG 3.36Å; K674-W686 HydrophobicContact CB-CB 3.76Å; K674-W686 HydrophobicContact CB-CD2 3.93Å; K674-W686 HydrophobicContact CB-CE3 4.08Å; K674-W686 HydrophobicContact CB-CG 3.77Å; K674-W686 HydrophobicContact CD-CB 4.17Å; K674-W686 HydrophobicContact CG-CB 4.5Å; K674-D687 IonicContact NZ-OD1 3.88Å; K674-D687 PolarHBondContact NZ-OD1 3Å; K674-D687 IonicContact NZ-OD2 3.86Å; K674-D687 PolarHBondContact NZ-OD2 2.83Å
675	K	89.6	Confident	92.9	Very high	179 Å²	179	40.2 Å²	40.2	78%	0.778	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-58.8	-42.2	-171.1	-69.7	-177.9	178.7	177.4	0	112.9	T673	T673-K675 PolarHBondContact O-N 3.32Å
676	A	87.1	Confident	93.2	Very high	49 Å²	49	40.8 Å²	40.8	41%	0.405	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-87.5	-4.7	-173.9	0	0	0	0	0	114.5	C671 K674 W696	C671-A676 HydrophobicContact CB-CB 3.9Å; K674-A676 VanDerWaalsContact C-N 3.33Å; K674-A676 PolarHBondContact O-N 2.88Å; A676-W696 WeakPolarHBondContact O-CZ2 3.33Å
677	L	91.8	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.			trans	-70.5	148.1	177.4	-70	178.2	0	0	0	111.1	C671 K674 L682 K683 W686 V694 W696	C671-L677 VanDerWaalsContact SG-CD2 3.53Å; K674-L677 PolarHBondContact O-N 3.13Å; L677-L682 HydrophobicContact CD1-CB 4.25Å; L677-L682 HydrophobicContact CD1-CD2 3.9Å; L677-L682 HydrophobicContact CD1-CG 3.85Å; L677-L682 HydrophobicContact CD2-CD2 4.24Å; L677-K683 HydrophobicContact CB-CD 4.44Å; L677-K683 HydrophobicContact CB-CG 3.71Å; L677-K683 HydrophobicContact CD1-CG 4.35Å; L677-K683 WeakPolarHBondContact O-CE 3.42Å; L677-K683 PolarHBondContact O-NZ 3.16Å; L677-W686 HydrophobicContact CD1-CE3 3.61Å; L677-W686 HydrophobicContact CD1-CZ3 3.82Å; L677-W686 HydrophobicContact CG-CZ3 4.42Å; L677-V694 HydrophobicContact CD2-CB 4.12Å; L677-V694 HydrophobicContact CD2-CG1 3.78Å; L677-W696 HydrophobicContact CD2-CG 4.3Å
678	N	87.5	Confident	93.5	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.444	22%	0.217	S	C	.	.			trans	-101.6	-16.2	173.4	-70.1	-32	0	0	0	113	P680 W696 Y698	N678-P680 VanDerWaalsContact O-CD 3.28Å; N678-P680 WeakPolarHBondContact O-CD 3.38Å; N678-W696 WeakPolarHBondContact ND2-CH2 3.1Å; N678-Y698 WeakPolarHBondContact CB-OH 2.85Å; N678-Y698 PolarHBondContact ND2-OH 3.17Å
679	D	94.9	Very high	93.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	25%	0.245	C	C	.	.			trans	-80.9	111.2	175.4	-177.7	4.9	0	0	0	111.2	Q359 R549 Y579 Y581 V681 L682 K683	Q359-D679 PolarHBondContact NE2-OD2 3.33Å; R549-D679 IonicContact NH1-OD1 3.15Å; R549-D679 PolarHBondContact NH1-OD1 3.43Å; R549-D679 IonicContact NH1-OD2 2.76Å; Y579-D679 HydrophobicContact CD1-CB 4.03Å; Y579-D679 HydrophobicContact CE1-CB 4Å; Y581-D679 WeakPolarHBondContact CE1-OD2 3.31Å; Y581-D679 PolarHBondContact OH-OD2 3.34Å; D679-V681 PolarHBondContact O-N 2.96Å; D679-V681 WeakPolarHBondContact OD1-CB 3.38Å; D679-V681 PolarHBondContact OD1-N 2.98Å; D679-L682 HydrophobicContact CB-CB 4.1Å; D679-L682 PolarHBondContact O-N 3.12Å; D679-K683 WeakPolarHBondContact O-CG 3.45Å; D679-K683 PolarHBondContact O-N 3.34Å
680	P	94.1	Very high	93.6	Very high	83 Å²	83	42.4 Å²	42.4	54%	0.539	24%	0.241	S	C	.	.	H	α-helix	trans	-64.8	-27	-179.4	27.5	-35	0	0	0	112.6	N678 A684	N678-P680 VanDerWaalsContact O-CD 3.28Å; N678-P680 WeakPolarHBondContact O-CD 3.38Å; P680-A684 PolarHBondContact O-N 2.87Å
681	V	96.6	Very high	93.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-69.1	-53.5	177.8	175.9	0	0	0	0	109.3	L466 V469 I470 T474 R549 D679 K683 A684 T685	L466-V681 HydrophobicContact CD1-CG1 3.61Å; L466-V681 HydrophobicContact CG-CG1 4.2Å; V469-V681 HydrophobicContact CB-CG1 4.15Å; V469-V681 HydrophobicContact CG1-CB 4.22Å; V469-V681 HydrophobicContact CG1-CG1 3.89Å; V469-V681 HydrophobicContact CG1-CG2 4.21Å; I470-V681 HydrophobicContact CD1-CG1 4.17Å; I470-V681 HydrophobicContact CG1-CB 4.46Å; I470-V681 HydrophobicContact CG1-CG1 3.49Å; I470-V681 VanDerWaalsContact CG1-CG1 3.49Å; I470-V681 HydrophobicContact CG1-CG2 4.21Å; T474-V681 HydrophobicContact CG2-CG2 4.32Å; R549-V681 VanDerWaalsContact NH1-CG2 3.34Å; D679-V681 PolarHBondContact O-N 2.96Å; D679-V681 WeakPolarHBondContact OD1-CB 3.38Å; D679-V681 PolarHBondContact OD1-N 2.98Å; V681-K683 VanDerWaalsContact C-N 3.26Å; V681-K683 PolarHBondContact O-N 2.99Å; V681-A684 PolarHBondContact O-N 3.31Å; V681-A684 VanDerWaalsContact O-N 3.07Å; V681-T685 PolarHBondContact O-N 3.32Å; V681-T685 PolarHBondContact O-OG1 3.02Å; V681-T685 VanDerWaalsContact O-OG1 3.06Å
682	L	97.2	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-34.9	178.9	-169.7	62.3	0	0	0	112.2	Q359 V361 L466 Y581 L677 D679 A684 T685 W686 I691 V694	Q359-L682 HydrophobicContact CB-CD2 4.25Å; Q359-L682 HydrophobicContact CG-CD2 4.47Å; V361-L682 HydrophobicContact CG1-CD1 4.35Å; V361-L682 HydrophobicContact CG2-CD1 3.98Å; V361-L682 HydrophobicContact CG2-CD2 3.9Å; L466-L682 HydrophobicContact CD1-CD1 4.46Å; Y581-L682 HydrophobicContact CD1-CD1 4.4Å; Y581-L682 HydrophobicContact CE1-CB 4.2Å; Y581-L682 HydrophobicContact CE1-CD1 4.45Å; L677-L682 HydrophobicContact CD1-CB 4.25Å; L677-L682 HydrophobicContact CD1-CD2 3.9Å; L677-L682 HydrophobicContact CD1-CG 3.85Å; L677-L682 HydrophobicContact CD2-CD2 4.24Å; D679-L682 HydrophobicContact CB-CB 4.1Å; D679-L682 PolarHBondContact O-N 3.12Å; L682-A684 VanDerWaalsContact C-N 3.33Å; L682-A684 PolarHBondContact O-N 3.22Å; L682-T685 PolarHBondContact O-N 2.95Å; L682-W686 PolarHBondContact O-N 3.42Å; L682-I691 HydrophobicContact CD1-CD1 3.82Å; L682-V694 HydrophobicContact CD2-CG1 4.11Å; L682-V694 HydrophobicContact CD2-CG2 4.22Å
683	K	96.7	Very high	94	Very high	69 Å²	69	41.2 Å²	41.2	30%	0.3	24%	0.237	S	C	.	.	H	α-helix	trans	-55.2	-46.4	171.8	-83.3	-177	156.2	157.2	0	112.6	K674 L677 D679 V681 W686	K674-K683 HydrophobicContact CB-CG 4.35Å; K674-K683 VanDerWaalsContact CD-O 3.3Å; K674-K683 WeakPolarHBondContact CD-O 3.32Å; K674-K683 WeakPolarHBondContact O-CE 3.46Å; K674-K683 WeakPolarHBondContact O-CG 3.36Å; L677-K683 HydrophobicContact CB-CD 4.44Å; L677-K683 HydrophobicContact CB-CG 3.71Å; L677-K683 HydrophobicContact CD1-CG 4.35Å; L677-K683 WeakPolarHBondContact O-CE 3.42Å; L677-K683 PolarHBondContact O-NZ 3.16Å; D679-K683 WeakPolarHBondContact O-CG 3.45Å; D679-K683 PolarHBondContact O-N 3.34Å; V681-K683 VanDerWaalsContact C-N 3.26Å; V681-K683 PolarHBondContact O-N 2.99Å; K683-W686 WeakPolarHBondContact O-CB 3.39Å
684	A	95.5	Very high	94.2	Very high	36 Å²	36	37.8 Å²	37.8	30%	0.298	22%	0.216	S	C	.	.	H	α-helix	trans	-69.7	-37.5	177.8	0	0	0	0	0	111.4	V469 P680 V681 L682 W686 D687	V469-A684 HydrophobicContact CG1-CB 4Å; V469-A684 HydrophobicContact CG2-CB 3.91Å; P680-A684 PolarHBondContact O-N 2.87Å; V681-A684 PolarHBondContact O-N 3.31Å; V681-A684 VanDerWaalsContact O-N 3.07Å; L682-A684 VanDerWaalsContact C-N 3.33Å; L682-A684 PolarHBondContact O-N 3.22Å; A684-W686 PolarHBondContact O-N 2.8Å; A684-D687 WeakPolarHBondContact O-CB 3.28Å; A684-D687 PolarHBondContact O-N 2.91Å
685	T	96.3	Very high	94.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-23.6	177.8	-54.4	0	0	0	0	113.7	V462 C465 L466 V681 L682 D687 T688 I691	V462-T685 HydrophobicContact CB-CG2 4.41Å; V462-T685 HydrophobicContact CG1-CG2 3.85Å; V462-T685 VanDerWaalsContact O-CG2 3.25Å; V462-T685 WeakPolarHBondContact O-CG2 3.29Å; C465-T685 HydrophobicContact CB-CG2 4.08Å; L466-T685 WeakPolarHBondContact CA-OG1 3.34Å; L466-T685 HydrophobicContact CB-CG2 4.17Å; L466-T685 HydrophobicContact CD1-CG2 4.45Å; V681-T685 PolarHBondContact O-N 3.32Å; V681-T685 PolarHBondContact O-OG1 3.02Å; V681-T685 VanDerWaalsContact O-OG1 3.06Å; L682-T685 PolarHBondContact O-N 2.95Å; T685-D687 PolarHBondContact O-N 3.3Å; T685-D687 VanDerWaalsContact O-N 3.13Å; T685-T688 WeakPolarHBondContact O-CB 3.22Å; T685-T688 VanDerWaalsContact O-CG2 3.32Å; T685-T688 WeakPolarHBondContact O-CG2 3.49Å; T685-T688 PolarHBondContact O-N 3.36Å; T685-T688 VanDerWaalsContact O-N 3.14Å; T685-T688 PolarHBondContact O-OG1 3.27Å; T685-I691 HydrophobicContact CG2-CD1 4.35Å
686	W	96.1	Very high	94.7	Very high	29 Å²	29	26.5 Å²	26.5	11%	0.11	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-57	-26.8	173.1	-157.1	-65.8	0	0	0	112.8	Y672 K674 L677 L682 K683 A684 T688 G689 I691 V694	Y672-W686 VanDerWaalsContact C-CZ2 3.48Å; Y672-W686 WeakPolarHBondContact O-CZ2 3.45Å; K674-W686 HydrophobicContact CB-CB 3.76Å; K674-W686 HydrophobicContact CB-CD2 3.93Å; K674-W686 HydrophobicContact CB-CE3 4.08Å; K674-W686 HydrophobicContact CB-CG 3.77Å; K674-W686 HydrophobicContact CD-CB 4.17Å; K674-W686 HydrophobicContact CG-CB 4.5Å; L677-W686 HydrophobicContact CD1-CE3 3.61Å; L677-W686 HydrophobicContact CD1-CZ3 3.82Å; L677-W686 HydrophobicContact CG-CZ3 4.42Å; L682-W686 PolarHBondContact O-N 3.42Å; K683-W686 WeakPolarHBondContact O-CB 3.39Å; A684-W686 PolarHBondContact O-N 2.8Å; W686-T688 PolarHBondContact O-N 3.12Å; W686-T688 VanDerWaalsContact O-N 3.11Å; W686-G689 PolarHBondContact O-N 3.46Å; W686-G689 VanDerWaalsContact O-N 3.07Å; W686-I691 HydrophobicContact CB-CD1 4.48Å; W686-I691 HydrophobicContact CD2-CB 4.08Å; W686-I691 HydrophobicContact CD2-CG2 3.94Å; W686-I691 HydrophobicContact CE3-CB 4.31Å; W686-I691 HydrophobicContact CE3-CD1 4.48Å; W686-I691 HydrophobicContact CE3-CG2 3.74Å; W686-I691 HydrophobicContact CG-CB 4.4Å; W686-I691 HydrophobicContact CH2-CG2 3.78Å; W686-I691 HydrophobicContact CZ2-CG2 3.95Å; W686-I691 HydrophobicContact CZ3-CG2 3.69Å; W686-V694 HydrophobicContact CE3-CG2 4.23Å; W686-V694 HydrophobicContact CH2-CG2 4.01Å; W686-V694 HydrophobicContact CZ3-CB 4.07Å; W686-V694 HydrophobicContact CZ3-CG2 3.41Å; W686-V694 VanDerWaalsContact CZ3-CG2 3.41Å
687	D	92	Very high	95	Very high	90 Å²	90	24.8 Å²	24.8	48%	0.481	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-71.6	-2.3	-179	-65	-29	0	0	0	113.9	K674 A684 T685 G689	K674-D687 IonicContact NZ-OD1 3.88Å; K674-D687 PolarHBondContact NZ-OD1 3Å; K674-D687 IonicContact NZ-OD2 3.86Å; K674-D687 PolarHBondContact NZ-OD2 2.83Å; A684-D687 WeakPolarHBondContact O-CB 3.28Å; A684-D687 PolarHBondContact O-N 2.91Å; T685-D687 PolarHBondContact O-N 3.3Å; T685-D687 VanDerWaalsContact O-N 3.13Å; D687-G689 PolarHBondContact O-N 3.45Å
688	T	91.1	Very high	95	Very high	20 Å²	20	28.2 Å²	28.2	12%	0.123	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23.3	164.8	54.8	0	0	0	0	112.6	L63 C465 T685 W686 C690	L63-T688 HydrophobicContact CD2-CG2 4Å; C465-T688 HydrophobicContact CB-CG2 3.35Å; T685-T688 WeakPolarHBondContact O-CB 3.22Å; T685-T688 VanDerWaalsContact O-CG2 3.32Å; T685-T688 WeakPolarHBondContact O-CG2 3.49Å; T685-T688 PolarHBondContact O-N 3.36Å; T685-T688 VanDerWaalsContact O-N 3.14Å; T685-T688 PolarHBondContact O-OG1 3.27Å; W686-T688 PolarHBondContact O-N 3.12Å; W686-T688 VanDerWaalsContact O-N 3.11Å; T688-C690 PolarHBondContact O-N 2.91Å; T688-C690 PolarHBondContact OG1-N 3.34Å
689	G	92.8	Very high	95.1	Very high	59 Å²	59	24.5 Å²	24.5	61%	0.608	14%	0.144	S	C	*	.	S	Bend	trans	75.5	0.6	-173.8	0	0	0	0	0	114.3	W686 D687	W686-G689 PolarHBondContact O-N 3.46Å; W686-G689 VanDerWaalsContact O-N 3.07Å; D687-G689 PolarHBondContact O-N 3.45Å
690	C	96.4	Very high	94.6	Very high	5 Å²	5	26 Å²	26	3%	0.034	15%	0.151	C	C	.	.			trans	-87.8	-21.3	179.2	-63.9	0	0	0	0	113.7	C363 N364 Q461 V462 T688 S692	C363-C690 CarbonylContact C-O 3.58Å; C363-C690 WeakPolarHBondContact CA-O 3.39Å; N364-C690 PolarHBondContact N-O 3.21Å; Q461-C690 PolarHBondContact OE1-SG 3.41Å; V462-C690 HydrophobicContact CG2-CB 3.79Å; T688-C690 PolarHBondContact O-N 2.91Å; T688-C690 PolarHBondContact OG1-N 3.34Å; C690-S692 PolarHBondContact O-N 3.25Å
691	I	98.1	Very high	93.7	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.036	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	118.2	-179.4	-56.1	-176.6	0	0	0	109.4	V361 C362 V462 L682 T685 W686 V694	V361-I691 HydrophobicContact CG1-CB 4.5Å; V361-I691 HydrophobicContact CG1-CD1 3.79Å; V361-I691 HydrophobicContact CG1-CG1 3.91Å; V361-I691 HydrophobicContact CG1-CG2 3.89Å; C362-I691 WeakPolarHBondContact O-CA 3.36Å; V462-I691 HydrophobicContact CG1-CD1 4.37Å; V462-I691 HydrophobicContact CG1-CG1 4.5Å; V462-I691 HydrophobicContact CG2-CD1 4.39Å; V462-I691 HydrophobicContact CG2-CG1 3.74Å; L682-I691 HydrophobicContact CD1-CD1 3.82Å; T685-I691 HydrophobicContact CG2-CD1 4.35Å; W686-I691 HydrophobicContact CB-CD1 4.48Å; W686-I691 HydrophobicContact CD2-CB 4.08Å; W686-I691 HydrophobicContact CD2-CG2 3.94Å; W686-I691 HydrophobicContact CE3-CB 4.31Å; W686-I691 HydrophobicContact CE3-CD1 4.48Å; W686-I691 HydrophobicContact CE3-CG2 3.74Å; W686-I691 HydrophobicContact CG-CB 4.4Å; W686-I691 HydrophobicContact CH2-CG2 3.78Å; W686-I691 HydrophobicContact CZ2-CG2 3.95Å; W686-I691 HydrophobicContact CZ3-CG2 3.69Å; I691-V694 HydrophobicContact CG2-CG2 3.7Å
692	S	96.7	Very high	92.1	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.049	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-35.8	177.3	61.1	0	0	0	0	112.8	C362 N364 T586 L634 C690	C362-S692 WeakPolarHBondContact CB-OG 3.38Å; C362-S692 PolarHBondContact O-N 2.63Å; C362-S692 PolarHBondContact O-OG 3.03Å; N364-S692 WeakPolarHBondContact OD1-CB 3.17Å; T586-S692 WeakPolarHBondContact CG2-OG 3.44Å; T586-S692 PolarHBondContact OG1-OG 2.78Å; L634-S692 WeakPolarHBondContact O-CB 3.4Å; L634-S692 PolarHBondContact O-OG 2.85Å; C690-S692 PolarHBondContact O-N 3.25Å
693	F	97.3	Very high	90	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	150.8	-171.7	-165.8	-93.3	0	0	0	110.8	C362 L634 H638 H670 Y672 F695	C362-F693 HydrophobicContact CB-CB 4Å; C362-F693 WeakPolarHBondContact CB-O 3.35Å; C362-F693 PolarHBondContact N-O 3Å; L634-F693 HydrophobicContact CB-CB 4.48Å; L634-F693 HydrophobicContact CB-CD2 4.48Å; L634-F693 WeakPolarHBondContact O-CB 3.4Å; H638-F693 HydrophobicContact CB-CE1 4.17Å; H638-F693 HydrophobicContact CB-CE2 4.48Å; H638-F693 HydrophobicContact CB-CZ 3.96Å; H638-F693 AromaticContact CD2-CZ 3.48Å; H638-F693 VanDerWaalsContact CD2-CZ 3.48Å; H638-F693 WeakPolarHBondContact CD2-CZ 3.29Å; H638-F693 AromaticContact CG-CZ 3.76Å; H670-F693 HydrophobicContact CB-CE1 3.7Å; H670-F693 HydrophobicContact CB-CZ 3.51Å; H670-F693 AromaticContact CD2-CZ 3.95Å; H670-F693 AromaticContact CG-CZ 3.9Å; Y672-F693 AromaticContact CD1-CD2 3.57Å; Y672-F693 HydrophobicContact CD1-CD2 3.57Å; Y672-F693 AromaticContact CD1-CE2 3.57Å; Y672-F693 HydrophobicContact CD1-CE2 3.57Å; Y672-F693 HydrophobicContact CD2-CE2 4.06Å; Y672-F693 AromaticContact CE1-CD2 3.8Å; Y672-F693 HydrophobicContact CE1-CD2 3.8Å; Y672-F693 AromaticContact CE1-CE2 3.41Å; Y672-F693 HydrophobicContact CE1-CE2 3.41Å; Y672-F693 VanDerWaalsContact CE1-CE2 3.41Å; Y672-F693 AromaticContact CE2-CE2 3.9Å; Y672-F693 HydrophobicContact CE2-CE2 3.9Å; Y672-F693 HydrophobicContact CG-CD2 4.03Å; Y672-F693 AromaticContact CG-CE2 3.93Å; Y672-F693 HydrophobicContact CG-CE2 3.93Å; Y672-F693 AromaticContact CZ-CE2 3.59Å; F693-F695 AromaticContact CD1-CD2 3.88Å; F693-F695 HydrophobicContact CD1-CD2 3.88Å; F693-F695 AromaticContact CD1-CE2 3.66Å; F693-F695 HydrophobicContact CD1-CE2 3.66Å; F693-F695 HydrophobicContact CD1-CG 4.48Å; F693-F695 HydrophobicContact CD1-CZ 4.09Å; F693-F695 AromaticContact CE1-CD1 3.93Å; F693-F695 HydrophobicContact CE1-CD1 3.93Å; F693-F695 AromaticContact CE1-CD2 3.74Å; F693-F695 HydrophobicContact CE1-CD2 3.74Å; F693-F695 AromaticContact CE1-CE1 3.66Å; F693-F695 HydrophobicContact CE1-CE1 3.66Å; F693-F695 AromaticContact CE1-CE2 3.45Å; F693-F695 HydrophobicContact CE1-CE2 3.45Å; F693-F695 VanDerWaalsContact CE1-CE2 3.45Å; F693-F695 AromaticContact CE1-CG 3.97Å; F693-F695 HydrophobicContact CE1-CG 3.97Å; F693-F695 AromaticContact CE1-CZ 3.42Å; F693-F695 HydrophobicContact CE1-CZ 3.42Å; F693-F695 VanDerWaalsContact CE1-CZ 3.42Å; F693-F695 HydrophobicContact CZ-CE1 4.33Å; F693-F695 HydrophobicContact CZ-CZ 4.28Å
694	V	98.1	Very high	87.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.4	174.1	177.4	0	0	0	0	110.4	Q359 V360 V361 H670 C671 L677 L682 W686 I691 W696	Q359-V694 HydrophobicContact CB-CG1 4.43Å; V360-V694 VanDerWaalsContact O-CA 3.28Å; V360-V694 WeakPolarHBondContact O-CA 3.36Å; V361-V694 HydrophobicContact CB-CG2 4.45Å; V361-V694 HydrophobicContact CG1-CG2 4.15Å; V361-V694 HydrophobicContact CG2-CG2 4.34Å; H670-V694 CarbonylContact C-O 3.57Å; H670-V694 VanDerWaalsContact CA-O 3.23Å; H670-V694 WeakPolarHBondContact CA-O 3.32Å; C671-V694 PolarHBondContact N-O 3.03Å; C671-V694 PolarHBondContact O-N 3.41Å; L677-V694 HydrophobicContact CD2-CB 4.12Å; L677-V694 HydrophobicContact CD2-CG1 3.78Å; L682-V694 HydrophobicContact CD2-CG1 4.11Å; L682-V694 HydrophobicContact CD2-CG2 4.22Å; W686-V694 HydrophobicContact CE3-CG2 4.23Å; W686-V694 HydrophobicContact CH2-CG2 4.01Å; W686-V694 HydrophobicContact CZ3-CB 4.07Å; W686-V694 HydrophobicContact CZ3-CG2 3.41Å; W686-V694 VanDerWaalsContact CZ3-CG2 3.41Å; I691-V694 HydrophobicContact CG2-CG2 3.7Å; V694-W696 HydrophobicContact CG1-CB 4.29Å
695	F	96.4	Very high	84.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.4	159.4	-60.2	-91.8	0	0	0	108.8	Q359 V360 S635 T637 H638 F641 F665 W668 N669 H670 F693	Q359-F695 CarbonylContact C-O 3.57Å; Q359-F695 WeakPolarHBondContact CA-O 3.41Å; V360-F695 HydrophobicContact CB-CB 4.18Å; V360-F695 HydrophobicContact CB-CD2 4.44Å; V360-F695 PolarHBondContact N-O 2.85Å; V360-F695 PolarHBondContact O-N 3.14Å; S635-F695 WeakPolarHBondContact OG-CE2 3.43Å; T637-F695 HydrophobicContact CG2-CE2 4.43Å; T637-F695 HydrophobicContact CG2-CZ 4.21Å; H638-F695 HydrophobicContact CB-CZ 3.85Å; F641-F695 HydrophobicContact CE1-CE1 4.12Å; F641-F695 HydrophobicContact CE1-CZ 4.24Å; F641-F695 AromaticContact CZ-CE1 3.94Å; F641-F695 HydrophobicContact CZ-CE1 3.94Å; F641-F695 HydrophobicContact CZ-CZ 4.38Å; F665-F695 HydrophobicContact CB-CD1 4.49Å; F665-F695 HydrophobicContact CB-CE1 4.47Å; W668-F695 HydrophobicContact CE3-CB 4.07Å; N669-F695 WeakPolarHBondContact O-CA 3.48Å; H670-F695 HydrophobicContact CB-CD1 3.88Å; H670-F695 HydrophobicContact CB-CE1 4.29Å; F693-F695 AromaticContact CD1-CD2 3.88Å; F693-F695 HydrophobicContact CD1-CD2 3.88Å; F693-F695 AromaticContact CD1-CE2 3.66Å; F693-F695 HydrophobicContact CD1-CE2 3.66Å; F693-F695 HydrophobicContact CD1-CG 4.48Å; F693-F695 HydrophobicContact CD1-CZ 4.09Å; F693-F695 AromaticContact CE1-CD1 3.93Å; F693-F695 HydrophobicContact CE1-CD1 3.93Å; F693-F695 AromaticContact CE1-CD2 3.74Å; F693-F695 HydrophobicContact CE1-CD2 3.74Å; F693-F695 AromaticContact CE1-CE1 3.66Å; F693-F695 HydrophobicContact CE1-CE1 3.66Å; F693-F695 AromaticContact CE1-CE2 3.45Å; F693-F695 HydrophobicContact CE1-CE2 3.45Å; F693-F695 VanDerWaalsContact CE1-CE2 3.45Å; F693-F695 AromaticContact CE1-CG 3.97Å; F693-F695 HydrophobicContact CE1-CG 3.97Å; F693-F695 AromaticContact CE1-CZ 3.42Å; F693-F695 HydrophobicContact CE1-CZ 3.42Å; F693-F695 VanDerWaalsContact CE1-CZ 3.42Å; F693-F695 HydrophobicContact CZ-CE1 4.33Å; F693-F695 HydrophobicContact CZ-CZ 4.28Å
696	W	96	Very high	81.9	Confident	18 Å²	18	65.2 Å²	65.2	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.6	177.1	64.1	-87.8	0	0	0	112.3	E358 Q359 N669 A676 L677 N678 V694 Y698	E358-W696 CarbonylContact O-C 3.6Å; E358-W696 WeakPolarHBondContact O-CA 3.35Å; Q359-W696 HydrophobicContact CB-CB 4.43Å; Q359-W696 HydrophobicContact CG-CB 3.92Å; N669-W696 HydrophobicContact CB-CD2 3.86Å; N669-W696 VanDerWaalsContact CB-CE2 3.49Å; N669-W696 HydrophobicContact CB-CE3 4.22Å; N669-W696 HydrophobicContact CB-CG 4.42Å; N669-W696 HydrophobicContact CB-CH2 3.95Å; N669-W696 HydrophobicContact CB-CZ2 3.59Å; N669-W696 HydrophobicContact CB-CZ3 4.23Å; N669-W696 WeakPolarHBondContact CB-O 3.43Å; N669-W696 PolarHBondContact N-O 3.42Å; N669-W696 VanDerWaalsContact N-O 3.16Å; N669-W696 PolarHBondContact O-N 3.07Å; A676-W696 WeakPolarHBondContact O-CZ2 3.33Å; L677-W696 HydrophobicContact CD2-CG 4.3Å; N678-W696 WeakPolarHBondContact ND2-CH2 3.1Å; V694-W696 HydrophobicContact CG1-CB 4.29Å; W696-Y698 HydrophobicContact CE3-CE2 4.29Å; W696-Y698 HydrophobicContact CH2-CE2 4.2Å; W696-Y698 AromaticContact CZ3-CD2 3.91Å; W696-Y698 HydrophobicContact CZ3-CD2 3.91Å; W696-Y698 AromaticContact CZ3-CE2 3.41Å; W696-Y698 HydrophobicContact CZ3-CE2 3.41Å; W696-Y698 VanDerWaalsContact CZ3-CE2 3.41Å
697	H	93.9	Very high	79	Confident	12 Å²	12	73.5 Å²	73.5	6%	0.056	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	163	175.3	-146.9	74.1	0	0	0	113	I357 E358 T659 D660 C661 W668 N669	I357-H697 WeakPolarHBondContact CA-O 3.49Å; E358-H697 PolarHBondContact N-O 3.22Å; E358-H697 PolarHBondContact O-N 3.4Å; T659-H697 PolarHBondContact O-NE2 3.3Å; T659-H697 PolarHBondContact OG1-CE1 3.39Å; T659-H697 VanDerWaalsContact OG1-CE1 3.3Å; D660-H697 WeakPolarHBondContact CA-CD2 3.28Å; D660-H697 WeakPolarHBondContact CA-NE2 3.49Å; D660-H697 PolarHBondContact N-NE2 2.86Å; D660-H697 PolarHBondContact O-CD2 3.49Å; C661-H697 PolarHBondContact SG-O 3.22Å; W668-H697 HydrophobicContact CD2-CB 3.75Å; W668-H697 HydrophobicContact CE3-CB 3.85Å; W668-H697 HydrophobicContact CG-CB 4.06Å; W668-H697 HydrophobicContact CZ3-CB 4.34Å; N669-H697 PolarHBondContact ND2-ND1 3.39Å
698	Y	91.9	Very high	78.4	Confident	72 Å²	72	72.7 Å²	72.7	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.3	176.9	-66.1	-78.4	0	0	0	111.6	V355 K356 I357 C661 N678 W696 H700	V355-Y698 HydrophobicContact CG1-CD1 3.67Å; V355-Y698 HydrophobicContact CG1-CE1 4.41Å; K356-Y698 WeakPolarHBondContact O-CA 3.29Å; I357-Y698 HydrophobicContact CD1-CD1 4.18Å; I357-Y698 HydrophobicContact CD1-CE1 3.44Å; I357-Y698 VanDerWaalsContact CD1-CE1 3.44Å; I357-Y698 HydrophobicContact CG1-CD1 3.73Å; I357-Y698 HydrophobicContact CG1-CE1 3.54Å; C661-Y698 PolarHBondContact N-O 3.25Å; C661-Y698 PolarHBondContact SG-O 3Å; N678-Y698 WeakPolarHBondContact CB-OH 2.85Å; N678-Y698 PolarHBondContact ND2-OH 3.17Å; W696-Y698 HydrophobicContact CE3-CE2 4.29Å; W696-Y698 HydrophobicContact CH2-CE2 4.2Å; W696-Y698 AromaticContact CZ3-CD2 3.91Å; W696-Y698 HydrophobicContact CZ3-CD2 3.91Å; W696-Y698 AromaticContact CZ3-CE2 3.41Å; W696-Y698 HydrophobicContact CZ3-CE2 3.41Å; W696-Y698 VanDerWaalsContact CZ3-CE2 3.41Å; Y698-H700 VanDerWaalsContact C-N 3.29Å; Y698-H700 PolarHBondContact O-N 2.98Å
699	S	88.2	Confident	77.7	Confident	5 Å²	5	75.5 Å²	75.5	4%	0.035	38%	0.38	C	S	.	.	S	Bend	trans	-65.9	-32.5	174.4	47.3	0	0	0	0	114.6	K356 C661	K356-S699 VanDerWaalsContact CG-OG 3.3Å; K356-S699 WeakPolarHBondContact CG-OG 3.48Å; K356-S699 PolarHBondContact N-OG 3.27Å; K356-S699 PolarHBondContact O-N 3.01Å; K356-S699 PolarHBondContact O-OG 3.07Å; C661-S699 PolarHBondContact SG-N 3.18Å; C661-S699 VanDerWaalsContact SG-N 3.37Å
700	H	85.7	Confident	76.9	Confident	33 Å²	33	76.4 Å²	76.4	15%	0.153	37%	0.367	C	S	.	.	S	Bend	trans	-169	157.2	-179.2	54.9	-81.6	0	0	0	106.8	T350 L353 Y698	T350-H700 HydrophobicContact CG2-CB 4.31Å; T350-H700 PolarHBondContact O-NE2 2.89Å; L353-H700 PolarHBondContact O-CE1 2.93Å; L353-H700 PolarHBondContact O-NE2 3.01Å; Y698-H700 VanDerWaalsContact C-N 3.29Å; Y698-H700 PolarHBondContact O-N 2.98Å
701	E	73.9	Confident	75.7	Confident	175 Å²	175	80.6 Å²	80.6	82%	0.818	39%	0.387	S	S	*	.			trans	-63.3	143	170.5	-65.4	-175.6	170.5	0	0	110	Q703	E701-Q703 PolarHBondContact O-N 3.46Å
702	E	63.1	Low	74.3	Confident	151 Å²	151	85.2 Å²	85.2	71%	0.706	41%	0.409	S	S	*	.			trans	-59	109.7	175.8	-166.9	171.8	-163.9	0	0	108.4	V355 R704	V355-E702 HydrophobicContact CG2-CB 3.92Å; V355-E702 HydrophobicContact CG2-CG 4.17Å; E702-R704 PolarHBondContact O-N 2.94Å
703	Q	53.1	Low	72.8	Confident	117 Å²	117	90.4 Å²	90.4	55%	0.547	43%	0.433	S	S	.	.			trans	-60.9	110	175.5	-67	-171.7	1.4	0	0	106.1	E701 K705	E701-Q703 PolarHBondContact O-N 3.46Å; Q703-K705 PolarHBondContact O-N 3.39Å
704	R	42.3	Very low	71.1	Confident	237 Å²	237	96.9 Å²	96.9	89%	0.894	46%	0.464	S	S	*	.			trans	-47.6	114	169.2	-80.2	-176.8	176.7	177.9	0.2	105.6	E702 T706	E702-R704 PolarHBondContact O-N 2.94Å; R704-T706 PolarHBondContact O-N 3.44Å
705	K	43.5	Very low	69	Low	188 Å²	188	104.3 Å²	104.3	82%	0.817	50%	0.5	S	S	*	.			trans	-48.6	109.9	176.2	-73.5	-179.7	178.3	175.9	0	106.3	Q703 V707	Q703-K705 PolarHBondContact O-N 3.39Å; K705-V707 PolarHBondContact O-N 3.41Å
706	T	33	Very low	66.7	Low	144 Å²	144	113 Å²	113	88%	0.883	54%	0.541	S	S	*	.			trans	-63.8	101.9	160.1	6.8	0	0	0	0	103	R704	R704-T706 PolarHBondContact O-N 3.44Å
707	V	35.8	Very low	64	Low	204 Å²	204	121.6 Å²	121.6	100%	1.236	58%	0.584	S	S	*	*			trans	-64.3	0	176.6	175.7	0	0	0	0	108.8	K705	K705-V707 PolarHBondContact O-N 3.41Å

Retrieved 707 of 707 residues in 681.5 ms (Link to these results)

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