A0A087Y0Q8_POEFO Loading...

cGMP-dependent protein kinase

AlphaFold DB (A0A3B3UJ71), UniProt , Accession A0A087Y0Q8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 775 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	33	Very low	33.1	Very low	247 Å²	247	157.8 Å²	157.8	100%	1.217	84%	0.841	S	S	*	*				0	143.3	0	-61	176.7	-178.7	0	0	107.3
2	G	33.2	Very low	33.5	Very low	72 Å²	72	155.8 Å²	155.8	74%	0.742	82%	0.819	S	S	*	*			trans	74.9	134.2	-170.3	0	0	0	0	0	111.6
3	N	36.1	Very low	33.5	Very low	177 Å²	177	152.7 Å²	152.7	95%	0.947	81%	0.814	S	S	*	*			cis	57.5	121.4	35.4	-73.2	-1.9	0	0	0	114.4
4	G	30.5	Very low	34.5	Very low	83 Å²	83	150.1 Å²	150.1	86%	0.856	81%	0.809	S	S	*	*			trans	173.1	55.1	-178	0	0	0	0	0	114.6
5	S	41.8	Very low	34.5	Very low	118 Å²	118	148.5 Å²	148.5	83%	0.825	80%	0.801	S	S	*	*			trans	-78.8	138.1	170.3	177.8	0	0	0	0	110.7
6	M	31.6	Very low	34.6	Very low	184 Å²	184	145.4 Å²	145.4	91%	0.906	80%	0.801	S	S	*	*			trans	-160.6	167.5	143.4	-113.3	-169.5	-158.4	0	0	115.4
7	K	32.9	Very low	34.5	Very low	200 Å²	200	143.3 Å²	143.3	87%	0.87	80%	0.799	S	S	*	*			trans	-79.8	-178.4	-176.3	-53.6	159.3	-178.9	171.6	0	109.5
8	S	31.2	Very low	34.5	Very low	88 Å²	88	142.3 Å²	142.3	62%	0.615	80%	0.797	S	S	*	*			cis	-176.4	172.6	27.1	74.4	0	0	0	0	113.4
9	K	31.8	Very low	34.4	Very low	175 Å²	175	139.7 Å²	139.7	76%	0.761	79%	0.789	S	S	*	*			trans	66.7	114.6	148.6	-71.6	170.2	-174.3	175.5	0	118.3
10	R	33.8	Very low	34.2	Very low	199 Å²	199	139.8 Å²	139.8	75%	0.751	79%	0.793	S	S	*	*				71	131.4	93.1	-75.3	-172.2	176	-172.7	-0.5	114.9
11	Y	28.4	Very low	34.1	Very low	193 Å²	193	138.4 Å²	138.4	76%	0.757	79%	0.793	S	S	*	*				-168	169.6	96.3	-113	-81.1	0	0	0	115
12	K	38.3	Very low	34	Very low	133 Å²	133	134.4 Å²	134.4	58%	0.578	78%	0.776	S	S	*	*			trans	-43.2	167.1	175.7	-78.8	-173.9	159.1	-159.2	0	116.6	D15	K12-D15 VanDerWaalsContact NZ-CG 3.32Å; K12-D15 IonicContact NZ-OD1 3.52Å; K12-D15 PolarHBondContact NZ-OD1 2.91Å; K12-D15 IonicContact NZ-OD2 3.45Å; K12-D15 PolarHBondContact NZ-OD2 2.89Å
13	P	33.5	Very low	33.9	Very low	116 Å²	116	134.7 Å²	134.7	75%	0.753	78%	0.779	S	S	*	*				-124.7	-161.2	102.6	43.6	-37.5	0	0	0	112.2
14	P	47.4	Very low	33.7	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	78%	0.78	S	S	*	*				-122.9	-170.9	-101.9	35.2	-14.5	0	0	0	115.5
15	D	33.3	Very low	33.9	Very low	127 Å²	127	136.7 Å²	136.7	68%	0.679	78%	0.777	S	S	*	*			trans	-102.8	-172.5	-160.6	-56.1	-88.4	0	0	0	115.4	K12	K12-D15 VanDerWaalsContact NZ-CG 3.32Å; K12-D15 IonicContact NZ-OD1 3.52Å; K12-D15 PolarHBondContact NZ-OD1 2.91Å; K12-D15 IonicContact NZ-OD2 3.45Å; K12-D15 PolarHBondContact NZ-OD2 2.89Å
16	A	36.3	Very low	33.6	Very low	98 Å²	98	140.2 Å²	140.2	81%	0.81	78%	0.78	S	S	*	*			trans	86.5	136.6	178.7	0	0	0	0	0	116.4
17	S	32.7	Very low	33.9	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	77%	0.773	S	S	*	*			cis	-174.2	165.8	-3.1	48.2	0	0	0	0	109
18	V	36	Very low	34	Very low	125 Å²	125	136.7 Å²	136.7	76%	0.758	77%	0.766	S	S	*	*			cis	-166.2	174.2	-12.8	134.7	0	0	0	0	107.8
19	S	31.1	Very low	34.3	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	77%	0.774	S	S	*	*			trans	64.4	105.5	165.1	50.1	0	0	0	0	118.7
20	T	31.1	Very low	34.5	Very low	141 Å²	141	137.3 Å²	137.3	87%	0.865	77%	0.771	S	S	*	*				66.6	137.5	95	67.5	0	0	0	0	115.5
21	S	31.3	Very low	35.1	Very low	112 Å²	112	132 Å²	132	78%	0.783	78%	0.778	S	S	*	*			cis	-157	-174.6	25.9	65.8	0	0	0	0	114.5
22	N	32.5	Very low	36	Very low	163 Å²	163	126.6 Å²	126.6	87%	0.872	77%	0.774	S	S	*	*			trans	-39.6	154.1	-179.3	-56.8	-18.7	0	0	0	119
23	G	30.2	Very low	36.3	Very low	78 Å²	78	128.7 Å²	128.7	80%	0.804	78%	0.783	S	S	*	*			trans	-171.9	123.7	158	0	0	0	0	0	112.1
24	Q	31.8	Very low	37.1	Very low	206 Å²	206	131.2 Å²	131.2	96%	0.963	78%	0.782	S	S	*	*			trans	-88.4	163.6	178	-78.3	178.1	-63.9	0	0	112.5
25	A	35.4	Very low	37.3	Very low	95 Å²	95	131.3 Å²	131.3	79%	0.785	78%	0.777	S	S	*	*			trans	-67.5	150.6	-175.6	0	0	0	0	0	114.1
26	H	34.2	Very low	38.3	Very low	192 Å²	192	129.7 Å²	129.7	89%	0.889	78%	0.775	S	S	*	*			trans	-130.5	146.5	147.6	-112.4	-97.4	0	0	0	109.7
27	K	37.8	Very low	39.4	Very low	177 Å²	177	128.5 Å²	128.5	77%	0.77	76%	0.761	S	S	*	*			trans	-79.8	150.4	170.6	-60.7	174.4	179.3	174.3	0	108.5
28	D	35	Very low	40.8	Very low	133 Å²	133	127.4 Å²	127.4	71%	0.711	75%	0.746	S	S	*	*				-175.1	171.3	89	-109.6	-53.4	0	0	0	115.2
29	H	39	Very low	42.4	Very low	172 Å²	172	125.9 Å²	125.9	80%	0.796	73%	0.734	S	S	*	*			trans	46.9	104.2	160.2	-66.2	1.4	0	0	0	119.8
30	C	36.1	Very low	44.3	Very low	104 Å²	104	125.2 Å²	125.2	70%	0.703	73%	0.729	S	S	*	*				179.2	91.2	110	-173.1	0	0	0	0	110.2
31	G	46.7	Very low	46.3	Very low	87 Å²	87	123.7 Å²	123.7	90%	0.897	72%	0.715	S	S	*	*			trans	-100.2	87.1	-177.1	0	0	0	0	0	113.1
32	A	45.8	Very low	48.4	Very low	80 Å²	80	125.7 Å²	125.7	66%	0.661	71%	0.705	S	S	*	*	S	Bend	trans	-159.6	-46.4	166.6	0	0	0	0	0	113.1
33	F	45.8	Very low	50.7	Low	177 Å²	177	120.5 Å²	120.5	78%	0.776	69%	0.685	S	S	*	*	S	Bend	trans	-95.7	3.3	-163.1	-81.7	-84.7	0	0	0	116.9
34	K	49.8	Very low	53.1	Low	169 Å²	169	122.4 Å²	122.4	74%	0.735	67%	0.668	S	S	*	*	S	Bend	trans	-94.3	-19.2	-172.2	-77	-174	174.8	178.1	0	116.4
35	N	50.5	Low	55.5	Low	119 Å²	119	116.5 Å²	116.5	64%	0.636	65%	0.646	S	S	*	*	H	α-helix	trans	-75.7	-49.3	-172.3	-70	16.9	0	0	0	112.9	S37 L38 D39	N35-S37 VanDerWaalsContact C-N 3.28Å; N35-S37 PolarHBondContact O-N 3.44Å; N35-S37 VanDerWaalsContact O-N 3.17Å; N35-L38 WeakPolarHBondContact O-CA 3.49Å; N35-L38 WeakPolarHBondContact O-CB 3.48Å; N35-L38 PolarHBondContact O-N 3.05Å; N35-D39 PolarHBondContact O-N 2.9Å
36	S	55.8	Low	57.9	Low	92 Å²	92	117.1 Å²	117.1	64%	0.643	63%	0.632	S	S	*	*	H	α-helix	trans	-58.1	-35.5	-174.9	56.1	0	0	0	0	114.1	S40	S36-S40 VanDerWaalsContact O-CB 3.22Å; S36-S40 WeakPolarHBondContact O-CB 3.34Å; S36-S40 PolarHBondContact O-N 3.17Å
37	S	58.4	Low	60.4	Low	74 Å²	74	111.9 Å²	111.9	52%	0.517	61%	0.608	S	S	.	*	H	α-helix	trans	-68.6	-36.8	174.2	179	0	0	0	0	112.5	N35 L41	N35-S37 VanDerWaalsContact C-N 3.28Å; N35-S37 PolarHBondContact O-N 3.44Å; N35-S37 VanDerWaalsContact O-N 3.17Å; S37-L41 WeakPolarHBondContact O-CG 3.22Å; S37-L41 PolarHBondContact O-N 2.91Å
38	L	62.3	Low	62.5	Low	87 Å²	87	107.5 Å²	107.5	46%	0.455	59%	0.593	S	S	.	*	H	α-helix	trans	-76.5	-38.9	-177.8	-149.9	160.8	0	0	0	111	N35 L41 R42	N35-L38 WeakPolarHBondContact O-CA 3.49Å; N35-L38 WeakPolarHBondContact O-CB 3.48Å; N35-L38 PolarHBondContact O-N 3.05Å; L38-L41 PolarHBondContact O-N 3.05Å; L38-R42 HydrophobicContact CD2-CG 4.34Å; L38-R42 VanDerWaalsContact CD2-NE 3.32Å; L38-R42 WeakPolarHBondContact O-CG 3.4Å; L38-R42 PolarHBondContact O-N 3.06Å
39	D	69.1	Low	65	Low	92 Å²	92	105.8 Å²	105.8	49%	0.492	58%	0.581	S	S	.	*	H	α-helix	trans	-68	-38.8	174.1	-61.5	-38	0	0	0	111.5	N35 R42 A43	N35-D39 PolarHBondContact O-N 2.9Å; D39-R42 PolarHBondContact O-N 2.79Å; D39-A43 PolarHBondContact O-N 2.93Å
40	S	71.2	Confident	67.4	Low	79 Å²	79	103.9 Å²	103.9	55%	0.552	57%	0.566	S	S	*	*	H	α-helix	trans	-61	-42.9	171.6	178.6	0	0	0	0	112.4	S36 A43 R44	S36-S40 VanDerWaalsContact O-CB 3.22Å; S36-S40 WeakPolarHBondContact O-CB 3.34Å; S36-S40 PolarHBondContact O-N 3.17Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-R44 PolarHBondContact O-N 3.37Å; S40-R44 VanDerWaalsContact O-N 3.08Å
41	L	72.9	Confident	69.8	Low	109 Å²	109	102.8 Å²	102.8	57%	0.571	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-40.8	175.1	-78	166.2	0	0	0	112.3	S37 L38 R44 V45	S37-L41 WeakPolarHBondContact O-CG 3.22Å; S37-L41 PolarHBondContact O-N 2.91Å; L38-L41 PolarHBondContact O-N 3.05Å; L41-R44 PolarHBondContact O-N 2.72Å; L41-V45 WeakPolarHBondContact O-CG2 3.42Å; L41-V45 PolarHBondContact O-N 2.89Å
42	R	76.9	Confident	71.5	Confident	155 Å²	155	99.9 Å²	99.9	59%	0.585	52%	0.521	S	S	*	.	H	α-helix	trans	-60.6	-49.6	174.5	-73.1	174.1	-176.5	-136.3	2.8	111.7	L38 D39 R44 V45 E46	L38-R42 HydrophobicContact CD2-CG 4.34Å; L38-R42 VanDerWaalsContact CD2-NE 3.32Å; L38-R42 WeakPolarHBondContact O-CG 3.4Å; L38-R42 PolarHBondContact O-N 3.06Å; D39-R42 PolarHBondContact O-N 2.79Å; R42-R44 VanDerWaalsContact C-N 3.25Å; R42-R44 PolarHBondContact O-N 2.9Å; R42-V45 PolarHBondContact O-N 3.17Å; R42-V45 VanDerWaalsContact O-N 3.09Å; R42-E46 PolarHBondContact O-N 3.15Å
43	A	79.4	Confident	73.6	Confident	54 Å²	54	101.7 Å²	101.7	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-57.1	-39.5	178.2	0	0	0	0	0	112.2	D39 S40 E47	D39-A43 PolarHBondContact O-N 2.93Å; S40-A43 PolarHBondContact O-N 2.99Å; A43-E47 WeakPolarHBondContact O-CB 3.33Å; A43-E47 PolarHBondContact O-N 2.92Å
44	R	81.9	Confident	75.7	Confident	118 Å²	118	101.5 Å²	101.5	45%	0.445	51%	0.505	S	S	.	.	H	α-helix	trans	-72.1	-33.4	176.9	-172.3	57.8	-179.3	177.6	8	113.3	S40 L41 R42 E47 L48	S40-R44 PolarHBondContact O-N 3.37Å; S40-R44 VanDerWaalsContact O-N 3.08Å; L41-R44 PolarHBondContact O-N 2.72Å; R42-R44 VanDerWaalsContact C-N 3.25Å; R42-R44 PolarHBondContact O-N 2.9Å; R44-E47 VanDerWaalsContact CD-OE2 3.25Å; R44-E47 WeakPolarHBondContact CD-OE2 3.44Å; R44-E47 IonicContact CZ-OE2 2.71Å; R44-E47 IonicContact NE-OE2 2.62Å; R44-E47 IonicContact NH1-OE1 3.34Å; R44-E47 PolarHBondContact NH1-OE1 2.92Å; R44-E47 IonicContact NH1-OE2 3.07Å; R44-E47 PolarHBondContact NH1-OE2 3.43Å; R44-E47 PolarHBondContact O-N 2.74Å; R44-L48 HydrophobicContact CG-CD1 4.28Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 3.09Å
45	V	81.9	Confident	77.4	Confident	81 Å²	81	98.6 Å²	98.6	49%	0.491	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-47.4	172.4	169.9	0	0	0	0	110.6	L41 R42 E47 L48 E49	L41-V45 WeakPolarHBondContact O-CG2 3.42Å; L41-V45 PolarHBondContact O-N 2.89Å; R42-V45 PolarHBondContact O-N 3.17Å; R42-V45 VanDerWaalsContact O-N 3.09Å; V45-E47 PolarHBondContact O-N 2.79Å; V45-L48 PolarHBondContact O-N 3.15Å; V45-E49 WeakPolarHBondContact O-CG 3.46Å; V45-E49 PolarHBondContact O-N 3.47Å
46	E	85.4	Confident	79.2	Confident	109 Å²	109	98 Å²	98	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-32.2	176.4	-69.4	178.6	-164.1	0	0	113.1	R42 R50	R42-E46 PolarHBondContact O-N 3.15Å; E46-R50 PolarHBondContact O-N 3.08Å; E46-R50 VanDerWaalsContact O-N 3.09Å; E46-R50 PolarHBondContact O-NE 2.97Å; E46-R50 PolarHBondContact O-NH2 3.28Å
47	E	87.4	Confident	80.8	Confident	82 Å²	82	100 Å²	100	38%	0.383	49%	0.488	S	S	.	.	H	α-helix	trans	-68.6	-48.4	174.1	-166.5	-167.3	165.8	0	0	111.8	A43 R44 V45 E49 R50 E51	A43-E47 WeakPolarHBondContact O-CB 3.33Å; A43-E47 PolarHBondContact O-N 2.92Å; R44-E47 VanDerWaalsContact CD-OE2 3.25Å; R44-E47 WeakPolarHBondContact CD-OE2 3.44Å; R44-E47 IonicContact CZ-OE2 2.71Å; R44-E47 IonicContact NE-OE2 2.62Å; R44-E47 IonicContact NH1-OE1 3.34Å; R44-E47 PolarHBondContact NH1-OE1 2.92Å; R44-E47 IonicContact NH1-OE2 3.07Å; R44-E47 PolarHBondContact NH1-OE2 3.43Å; R44-E47 PolarHBondContact O-N 2.74Å; V45-E47 PolarHBondContact O-N 2.79Å; E47-E49 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 3.23Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 3.1Å; E47-R50 VanDerWaalsContact O-N 3.15Å; E47-E51 PolarHBondContact O-N 3.22Å
48	L	81.8	Confident	82.3	Confident	85 Å²	85	100.8 Å²	100.8	45%	0.445	48%	0.483	S	S	.	.	H	α-helix	trans	-64.2	-35	176.7	-71.8	169.1	0	0	0	112.1	R44 V45 E51 G52	R44-L48 HydrophobicContact CG-CD1 4.28Å; R44-L48 VanDerWaalsContact O-CG 3.31Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 3.09Å; V45-L48 PolarHBondContact O-N 3.15Å; L48-E51 PolarHBondContact O-N 3.09Å; L48-G52 PolarHBondContact O-N 3.31Å
49	E	86.4	Confident	83.4	Confident	97 Å²	97	101.3 Å²	101.3	45%	0.453	49%	0.486	S	S	.	.	H	α-helix	trans	-66.2	-39.3	171.5	-76.3	-168.6	-165.1	0	0	112.8	V45 E47 E51 G52 R53	V45-E49 WeakPolarHBondContact O-CG 3.46Å; V45-E49 PolarHBondContact O-N 3.47Å; E47-E49 VanDerWaalsContact C-N 3.31Å; E47-E49 PolarHBondContact O-N 3.23Å; E49-E51 VanDerWaalsContact C-N 3.34Å; E49-G52 PolarHBondContact O-N 2.98Å; E49-R53 WeakPolarHBondContact O-CG 3.29Å; E49-R53 PolarHBondContact O-N 3.16Å; E49-R53 PolarHBondContact O-NE 3.13Å; E49-R53 IonicContact OE2-CZ 3.97Å; E49-R53 IonicContact OE2-NH1 2.57Å; E49-R53 PolarHBondContact OE2-NH1 2.69Å; E49-R53 IonicContact OE2-NH2 3.99Å; E49-R53 PolarHBondContact OE2-NH2 2.67Å; E49-R53 VanDerWaalsContact OE2-NH2 3.16Å
50	R	88.8	Confident	84.4	Confident	132 Å²	132	99.7 Å²	99.7	50%	0.498	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-39.1	173.2	-86.3	177.5	-89.5	110.7	-2.5	111.4	E46 E47 R54	E46-R50 PolarHBondContact O-N 3.08Å; E46-R50 VanDerWaalsContact O-N 3.09Å; E46-R50 PolarHBondContact O-NE 2.97Å; E46-R50 PolarHBondContact O-NH2 3.28Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 3.1Å; E47-R50 VanDerWaalsContact O-N 3.15Å; R50-R54 WeakPolarHBondContact O-CB 3.37Å; R50-R54 PolarHBondContact O-N 3.45Å
51	E	88.4	Confident	85.3	Confident	80 Å²	80	98.7 Å²	98.7	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-67.5	-39.2	175.2	-159.3	-169.6	159.1	0	0	112	E47 L48 E49 K55	E47-E51 PolarHBondContact O-N 3.22Å; L48-E51 PolarHBondContact O-N 3.09Å; E49-E51 VanDerWaalsContact C-N 3.34Å; E51-K55 WeakPolarHBondContact O-CG 3.38Å; E51-K55 PolarHBondContact O-N 2.96Å; E51-K55 VanDerWaalsContact O-N 3.08Å; E51-K55 WeakPolarHBondContact OE1-CE 3.21Å; E51-K55 IonicContact OE1-NZ 2.69Å; E51-K55 PolarHBondContact OE1-NZ 3.3Å
52	G	81.7	Confident	85.9	Confident	26 Å²	26	98.1 Å²	98.1	27%	0.268	47%	0.471	S	S	.	.	H	α-helix	trans	-60.1	-56.6	173.8	0	0	0	0	0	112.1	L48 E49 R54 K55 D56	L48-G52 PolarHBondContact O-N 3.31Å; E49-G52 PolarHBondContact O-N 2.98Å; G52-R54 VanDerWaalsContact C-N 3.26Å; G52-R54 PolarHBondContact O-N 3.35Å; G52-K55 WeakPolarHBondContact O-CA 3.28Å; G52-K55 WeakPolarHBondContact O-CB 3.39Å; G52-K55 PolarHBondContact O-N 2.76Å; G52-D56 PolarHBondContact O-N 2.88Å
53	R	89.4	Confident	86.4	Confident	119 Å²	119	97 Å²	97	45%	0.449	47%	0.472	S	S	.	.	H	α-helix	trans	-52.9	-43	177.8	-73.9	-177.5	-78.6	-97.5	2.8	112.3	E49 K55 D56 E57	E49-R53 WeakPolarHBondContact O-CG 3.29Å; E49-R53 PolarHBondContact O-N 3.16Å; E49-R53 PolarHBondContact O-NE 3.13Å; E49-R53 IonicContact OE2-CZ 3.97Å; E49-R53 IonicContact OE2-NH1 2.57Å; E49-R53 PolarHBondContact OE2-NH1 2.69Å; E49-R53 IonicContact OE2-NH2 3.99Å; E49-R53 PolarHBondContact OE2-NH2 2.67Å; E49-R53 VanDerWaalsContact OE2-NH2 3.16Å; R53-K55 PolarHBondContact O-N 3.25Å; R53-D56 PolarHBondContact O-N 2.89Å; R53-E57 WeakPolarHBondContact O-CG 3.38Å; R53-E57 PolarHBondContact O-N 3.01Å
54	R	90.7	Very high	86.8	Confident	173 Å²	173	101 Å²	101	65%	0.653	48%	0.482	S	S	*	.	H	α-helix	trans	-63.6	-36.9	175.4	178.1	177.6	167	175.1	-2.6	113.2	R50 G52 E58	R50-R54 WeakPolarHBondContact O-CB 3.37Å; R50-R54 PolarHBondContact O-N 3.45Å; G52-R54 VanDerWaalsContact C-N 3.26Å; G52-R54 PolarHBondContact O-N 3.35Å; R54-E58 WeakPolarHBondContact O-CB 3.44Å; R54-E58 PolarHBondContact O-N 3.41Å
55	K	85.6	Confident	87.1	Confident	108 Å²	108	101.6 Å²	101.6	47%	0.47	49%	0.49	S	S	.	.	H	α-helix	trans	-72.4	-35.1	176.9	-74.2	172.2	-175.4	168.7	0	112.1	E51 G52 R53 E58 L59	E51-K55 WeakPolarHBondContact O-CG 3.38Å; E51-K55 PolarHBondContact O-N 2.96Å; E51-K55 VanDerWaalsContact O-N 3.08Å; E51-K55 WeakPolarHBondContact OE1-CE 3.21Å; E51-K55 IonicContact OE1-NZ 2.69Å; E51-K55 PolarHBondContact OE1-NZ 3.3Å; G52-K55 WeakPolarHBondContact O-CA 3.28Å; G52-K55 WeakPolarHBondContact O-CB 3.39Å; G52-K55 PolarHBondContact O-N 2.76Å; R53-K55 PolarHBondContact O-N 3.25Å; K55-E58 PolarHBondContact O-N 3.35Å; K55-L59 WeakPolarHBondContact O-CB 3.41Å; K55-L59 PolarHBondContact O-N 3.11Å
56	D	87.6	Confident	87.3	Confident	105 Å²	105	102.1 Å²	102.1	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-66.1	-40.7	174.3	-62.5	-32.4	0	0	0	111.3	G52 R53 L59 C60	G52-D56 PolarHBondContact O-N 2.88Å; R53-D56 PolarHBondContact O-N 2.89Å; D56-L59 PolarHBondContact O-N 3.03Å; D56-C60 WeakPolarHBondContact O-CB 3.45Å; D56-C60 PolarHBondContact O-N 2.81Å
57	E	90.2	Very high	87.4	Confident	134 Å²	134	103 Å²	103	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-60.7	-45.3	171	-72.8	167.9	-178.6	0	0	112	R53 C60 A61	R53-E57 WeakPolarHBondContact O-CG 3.38Å; R53-E57 PolarHBondContact O-N 3.01Å; E57-C60 PolarHBondContact O-N 2.8Å; E57-A61 PolarHBondContact O-N 3.31Å
58	E	89.7	Confident	87.5	Confident	91 Å²	91	100.9 Å²	100.9	43%	0.425	49%	0.491	S	S	.	.	H	α-helix	trans	-67.3	-35	178.3	-162.3	-174.9	134	0	0	112.6	R54 K55 K62	R54-E58 WeakPolarHBondContact O-CB 3.44Å; R54-E58 PolarHBondContact O-N 3.41Å; K55-E58 PolarHBondContact O-N 3.35Å; E58-K62 WeakPolarHBondContact O-CD 3.36Å; E58-K62 WeakPolarHBondContact O-CG 3.2Å; E58-K62 PolarHBondContact O-N 2.88Å; E58-K62 VanDerWaalsContact O-N 3.13Å; E58-K62 WeakPolarHBondContact OE1-CE 3.39Å; E58-K62 IonicContact OE1-NZ 2.94Å; E58-K62 PolarHBondContact OE1-NZ 2.85Å
59	L	85.9	Confident	87.7	Confident	99 Å²	99	101.6 Å²	101.6	52%	0.518	50%	0.495	S	S	.	.	H	α-helix	trans	-63.6	-50.7	171.1	-89.6	164.8	0	0	0	111.2	K55 D56 A61 K62 E63	K55-L59 WeakPolarHBondContact O-CB 3.41Å; K55-L59 PolarHBondContact O-N 3.11Å; D56-L59 PolarHBondContact O-N 3.03Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.05Å; L59-K62 PolarHBondContact O-N 3.19Å; L59-E63 WeakPolarHBondContact O-CG 3.48Å; L59-E63 PolarHBondContact O-N 2.9Å
60	C	88.9	Confident	87.6	Confident	58 Å²	58	102.8 Å²	102.8	39%	0.392	50%	0.5	S	S	.	.	H	α-helix	trans	-58.7	-40.7	179.3	-171	0	0	0	0	112	D56 E57 K62 E63 Q64	D56-C60 WeakPolarHBondContact O-CB 3.45Å; D56-C60 PolarHBondContact O-N 2.81Å; E57-C60 PolarHBondContact O-N 2.8Å; C60-K62 PolarHBondContact O-N 2.85Å; C60-E63 PolarHBondContact O-N 3.3Å; C60-Q64 WeakPolarHBondContact O-CG 3.18Å; C60-Q64 PolarHBondContact O-N 2.99Å
61	A	89.6	Confident	87.6	Confident	58 Å²	58	101.2 Å²	101.2	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-41.6	174.3	0	0	0	0	0	112.5	E57 L59 Q64 Q65	E57-A61 PolarHBondContact O-N 3.31Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.05Å; A61-Q64 PolarHBondContact O-N 3.34Å; A61-Q65 PolarHBondContact O-N 3.05Å
62	K	86.2	Confident	87.5	Confident	97 Å²	97	102.5 Å²	102.5	42%	0.422	51%	0.505	S	S	.	.	H	α-helix	trans	-69.1	-37.9	177	-74.8	167	177.5	170.5	0	112.6	E58 L59 C60 Q65 I66	E58-K62 WeakPolarHBondContact O-CD 3.36Å; E58-K62 WeakPolarHBondContact O-CG 3.2Å; E58-K62 PolarHBondContact O-N 2.88Å; E58-K62 VanDerWaalsContact O-N 3.13Å; E58-K62 WeakPolarHBondContact OE1-CE 3.39Å; E58-K62 IonicContact OE1-NZ 2.94Å; E58-K62 PolarHBondContact OE1-NZ 2.85Å; L59-K62 PolarHBondContact O-N 3.19Å; C60-K62 PolarHBondContact O-N 2.85Å; K62-Q65 PolarHBondContact O-N 3.49Å; K62-I66 VanDerWaalsContact O-CG1 3.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.16Å; K62-I66 PolarHBondContact O-N 3.41Å
63	E	87.6	Confident	87.6	Confident	131 Å²	131	106.4 Å²	106.4	61%	0.612	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-42.8	173.8	-71.7	-174.5	153.7	0	0	111.8	L59 C60 Q65 I66 K67	L59-E63 WeakPolarHBondContact O-CG 3.48Å; L59-E63 PolarHBondContact O-N 2.9Å; C60-E63 PolarHBondContact O-N 3.3Å; E63-Q65 PolarHBondContact O-N 3.22Å; E63-I66 PolarHBondContact O-N 3.37Å; E63-K67 WeakPolarHBondContact O-CB 3.37Å; E63-K67 PolarHBondContact O-N 3.01Å
64	Q	87.2	Confident	87.5	Confident	137 Å²	137	103.3 Å²	103.3	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-62.3	-41.3	173.6	-69.4	178.5	35.9	0	0	111.9	C60 A61 K67 G68	C60-Q64 WeakPolarHBondContact O-CG 3.18Å; C60-Q64 PolarHBondContact O-N 2.99Å; A61-Q64 PolarHBondContact O-N 3.34Å; Q64-K67 PolarHBondContact O-N 2.78Å; Q64-G68 PolarHBondContact O-N 3.35Å
65	Q	89.8	Confident	87.3	Confident	131 Å²	131	102 Å²	102	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-63.5	-43.5	175.4	-169.9	-179.6	13.2	0	0	112.2	A61 K62 E63 K67 G68 L69	A61-Q65 PolarHBondContact O-N 3.05Å; K62-Q65 PolarHBondContact O-N 3.49Å; E63-Q65 PolarHBondContact O-N 3.22Å; Q65-K67 VanDerWaalsContact C-N 3.35Å; Q65-K67 PolarHBondContact O-N 3.49Å; Q65-G68 PolarHBondContact O-N 2.74Å; Q65-L69 HydrophobicContact CG-CD1 4.4Å; Q65-L69 WeakPolarHBondContact O-CG 3.14Å; Q65-L69 PolarHBondContact O-N 2.92Å
66	I	85.8	Confident	87.3	Confident	92 Å²	92	101.8 Å²	101.8	47%	0.472	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-44.7	175.9	-71.9	164.5	0	0	0	110.5	K62 E63 G68 L69 Q70	K62-I66 VanDerWaalsContact O-CG1 3.29Å; K62-I66 WeakPolarHBondContact O-CG1 3.16Å; K62-I66 PolarHBondContact O-N 3.41Å; E63-I66 PolarHBondContact O-N 3.37Å; I66-G68 PolarHBondContact O-N 3.02Å; I66-L69 PolarHBondContact O-N 3.09Å; I66-Q70 HydrophobicContact CG2-CG 4.47Å; I66-Q70 WeakPolarHBondContact O-CG 3.36Å; I66-Q70 PolarHBondContact O-N 2.99Å
67	K	87.5	Confident	87.2	Confident	127 Å²	127	100.7 Å²	100.7	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-60.7	-45.1	176.8	-173.2	-177.1	175	-169.9	0	111.9	E63 Q64 Q65 L69 Q70 E71	E63-K67 WeakPolarHBondContact O-CB 3.37Å; E63-K67 PolarHBondContact O-N 3.01Å; Q64-K67 PolarHBondContact O-N 2.78Å; Q65-K67 VanDerWaalsContact C-N 3.35Å; Q65-K67 PolarHBondContact O-N 3.49Å; K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 3.41Å; K67-Q70 WeakPolarHBondContact O-CB 3.3Å; K67-Q70 PolarHBondContact O-N 2.89Å; K67-E71 VanDerWaalsContact CE-OE1 3.24Å; K67-E71 WeakPolarHBondContact CE-OE1 3.33Å; K67-E71 PolarHBondContact O-N 3.41Å
68	G	89.6	Confident	87	Confident	38 Å²	38	103.1 Å²	103.1	39%	0.392	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-41.4	175.6	0	0	0	0	0	113	Q64 Q65 I66 E71 Q72	Q64-G68 PolarHBondContact O-N 3.35Å; Q65-G68 PolarHBondContact O-N 2.74Å; I66-G68 PolarHBondContact O-N 3.02Å; G68-E71 PolarHBondContact O-N 3.01Å; G68-Q72 WeakPolarHBondContact O-CB 3.18Å; G68-Q72 PolarHBondContact O-N 2.78Å
69	L	85.9	Confident	87	Confident	100 Å²	100	102.4 Å²	102.4	52%	0.524	52%	0.521	S	S	.	.	H	α-helix	trans	-66.8	-37.4	175.3	-70.6	169.9	0	0	0	112.6	Q65 I66 K67 Q72 L73	Q65-L69 HydrophobicContact CG-CD1 4.4Å; Q65-L69 WeakPolarHBondContact O-CG 3.14Å; Q65-L69 PolarHBondContact O-N 2.92Å; I66-L69 PolarHBondContact O-N 3.09Å; K67-L69 VanDerWaalsContact C-N 3.33Å; K67-L69 PolarHBondContact O-N 3.41Å; L69-Q72 PolarHBondContact O-N 3.29Å; L69-L73 WeakPolarHBondContact O-CB 3.13Å; L69-L73 PolarHBondContact O-N 3.21Å
70	Q	83.4	Confident	86.8	Confident	122 Å²	122	103.4 Å²	103.4	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-64.4	-43.1	173.8	-72.8	172.6	-5.7	0	0	111.8	I66 K67 L73 A74	I66-Q70 HydrophobicContact CG2-CG 4.47Å; I66-Q70 WeakPolarHBondContact O-CG 3.36Å; I66-Q70 PolarHBondContact O-N 2.99Å; K67-Q70 WeakPolarHBondContact O-CB 3.3Å; K67-Q70 PolarHBondContact O-N 2.89Å; Q70-L73 PolarHBondContact O-N 3.46Å; Q70-A74 WeakPolarHBondContact O-CB 3.4Å; Q70-A74 PolarHBondContact O-N 3.44Å
71	E	88.4	Confident	86.6	Confident	100 Å²	100	104.3 Å²	104.3	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-65.2	-37.7	175.5	-71.4	-179.5	-157.5	0	0	112.2	K67 G68 K75	K67-E71 VanDerWaalsContact CE-OE1 3.24Å; K67-E71 WeakPolarHBondContact CE-OE1 3.33Å; K67-E71 PolarHBondContact O-N 3.41Å; G68-E71 PolarHBondContact O-N 3.01Å; E71-K75 WeakPolarHBondContact O-CG 2.91Å; E71-K75 PolarHBondContact O-N 3.06Å; E71-K75 VanDerWaalsContact O-N 3.1Å
72	Q	87.1	Confident	86.4	Confident	106 Å²	106	106.9 Å²	106.9	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-66.7	-43	174.2	-175.9	173.6	-8.6	0	0	112	G68 L69 K75 Q76	G68-Q72 WeakPolarHBondContact O-CB 3.18Å; G68-Q72 PolarHBondContact O-N 2.78Å; L69-Q72 PolarHBondContact O-N 3.29Å; Q72-K75 PolarHBondContact O-N 2.71Å; Q72-Q76 PolarHBondContact O-N 3.01Å
73	L	84.1	Confident	86.3	Confident	108 Å²	108	107.2 Å²	107.2	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-63.6	-40.2	176.3	-177.5	63.4	0	0	0	111.8	L69 Q70 Q76 T77	L69-L73 WeakPolarHBondContact O-CB 3.13Å; L69-L73 PolarHBondContact O-N 3.21Å; Q70-L73 PolarHBondContact O-N 3.46Å; L73-Q76 PolarHBondContact O-N 3.28Å; L73-T77 WeakPolarHBondContact O-CB 3.46Å; L73-T77 PolarHBondContact O-N 2.87Å; L73-T77 PolarHBondContact O-OG1 3.31Å
74	A	86	Confident	86.1	Confident	55 Å²	55	104.3 Å²	104.3	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-40.2	175.3	0	0	0	0	0	112.3	Q70 T77 R78	Q70-A74 WeakPolarHBondContact O-CB 3.4Å; Q70-A74 PolarHBondContact O-N 3.44Å; A74-T77 PolarHBondContact O-N 3.16Å; A74-R78 PolarHBondContact O-N 2.78Å; A74-R78 VanDerWaalsContact O-N 3.12Å
75	K	86.7	Confident	85.9	Confident	144 Å²	144	103.6 Å²	103.6	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-62.5	-47	172.7	-72.6	170	-175.9	172.1	0	111.7	E71 Q72 T77 R78 V79	E71-K75 WeakPolarHBondContact O-CG 2.91Å; E71-K75 PolarHBondContact O-N 3.06Å; E71-K75 VanDerWaalsContact O-N 3.1Å; Q72-K75 PolarHBondContact O-N 2.71Å; K75-T77 VanDerWaalsContact C-N 3.31Å; K75-T77 PolarHBondContact O-N 2.87Å; K75-R78 PolarHBondContact O-N 2.82Å; K75-V79 PolarHBondContact O-N 2.69Å; K75-V79 VanDerWaalsContact O-N 3.16Å
76	Q	86.9	Confident	85.7	Confident	105 Å²	105	102.2 Å²	102.2	49%	0.491	53%	0.526	S	S	.	.	H	α-helix	trans	-62.5	-36.8	176.8	-72.9	-179.8	-21.9	0	0	112.5	Q72 L73 V79 L80	Q72-Q76 PolarHBondContact O-N 3.01Å; L73-Q76 PolarHBondContact O-N 3.28Å; Q76-V79 PolarHBondContact O-N 2.63Å; Q76-L80 WeakPolarHBondContact O-CB 3.48Å; Q76-L80 WeakPolarHBondContact O-CG 3.37Å; Q76-L80 PolarHBondContact O-N 3.18Å
77	T	84.4	Confident	85.4	Confident	81 Å²	81	103 Å²	103	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-67.4	-36.3	178	-58.5	0	0	0	0	112.1	L73 A74 K75 S81	L73-T77 WeakPolarHBondContact O-CB 3.46Å; L73-T77 PolarHBondContact O-N 2.87Å; L73-T77 PolarHBondContact O-OG1 3.31Å; A74-T77 PolarHBondContact O-N 3.16Å; K75-T77 VanDerWaalsContact C-N 3.31Å; K75-T77 PolarHBondContact O-N 2.87Å; T77-S81 PolarHBondContact O-N 2.96Å
78	R	87.2	Confident	85	Confident	186 Å²	186	102.9 Å²	102.9	70%	0.702	53%	0.531	S	S	*	.	H	α-helix	trans	-63	-51.2	171.2	-81.1	-172.8	174.4	164.4	-1	112.2	A74 K75 L80 S81 E82	A74-R78 PolarHBondContact O-N 2.78Å; A74-R78 VanDerWaalsContact O-N 3.12Å; K75-R78 PolarHBondContact O-N 2.82Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 2.84Å; R78-S81 WeakPolarHBondContact O-CA 3.48Å; R78-S81 VanDerWaalsContact O-CB 3.31Å; R78-S81 WeakPolarHBondContact O-CB 3.46Å; R78-S81 PolarHBondContact O-N 2.82Å; R78-E82 WeakPolarHBondContact O-CG 3.45Å; R78-E82 PolarHBondContact O-N 2.8Å
79	V	88.2	Confident	84.5	Confident	75 Å²	75	104.9 Å²	104.9	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-58.9	-37.3	178.9	175.2	0	0	0	0	111.7	K75 Q76 E82 L83	K75-V79 PolarHBondContact O-N 2.69Å; K75-V79 VanDerWaalsContact O-N 3.16Å; Q76-V79 PolarHBondContact O-N 2.63Å; V79-E82 PolarHBondContact O-N 2.73Å; V79-L83 HydrophobicContact CG1-CD1 4.08Å; V79-L83 WeakPolarHBondContact O-CB 3.46Å; V79-L83 WeakPolarHBondContact O-CD1 3.22Å; V79-L83 PolarHBondContact O-N 2.86Å
80	L	82.5	Confident	84.4	Confident	121 Å²	121	104.4 Å²	104.4	63%	0.634	53%	0.527	S	S	*	.	H	α-helix	trans	-67.4	-35.9	173.6	-74.5	169.2	0	0	0	113	Q76 R78 S84	Q76-L80 WeakPolarHBondContact O-CB 3.48Å; Q76-L80 WeakPolarHBondContact O-CG 3.37Å; Q76-L80 PolarHBondContact O-N 3.18Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 2.84Å; L80-S84 VanDerWaalsContact O-CB 3.28Å; L80-S84 WeakPolarHBondContact O-CB 3.22Å; L80-S84 PolarHBondContact O-N 3.29Å
81	S	84.5	Confident	84	Confident	77 Å²	77	101.5 Å²	101.5	54%	0.538	52%	0.519	S	S	.	.	H	α-helix	trans	-66.2	-45.5	173.7	-164.1	0	0	0	0	111.3	T77 R78 S84 E85	T77-S81 PolarHBondContact O-N 2.96Å; R78-S81 WeakPolarHBondContact O-CA 3.48Å; R78-S81 VanDerWaalsContact O-CB 3.31Å; R78-S81 WeakPolarHBondContact O-CB 3.46Å; R78-S81 PolarHBondContact O-N 2.82Å; S81-S84 WeakPolarHBondContact O-CB 3.43Å; S81-S84 PolarHBondContact O-N 3.24Å; S81-E85 PolarHBondContact O-N 2.85Å
82	E	86.3	Confident	83.5	Confident	112 Å²	112	100.1 Å²	100.1	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-62.1	-45.3	178.1	-69.3	156.2	-158.8	0	0	111.2	R78 V79 S84 E85 E86	R78-E82 WeakPolarHBondContact O-CG 3.45Å; R78-E82 PolarHBondContact O-N 2.8Å; V79-E82 PolarHBondContact O-N 2.73Å; E82-S84 PolarHBondContact O-N 2.89Å; E82-E85 PolarHBondContact O-N 2.81Å; E82-E86 WeakPolarHBondContact O-CB 3.3Å; E82-E86 PolarHBondContact O-N 2.59Å
83	L	83.9	Confident	82.9	Confident	103 Å²	103	101 Å²	101	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-64.2	-36.9	172.7	-101.1	73.9	0	0	0	112.8	V79 E86 L87	V79-L83 HydrophobicContact CG1-CD1 4.08Å; V79-L83 WeakPolarHBondContact O-CB 3.46Å; V79-L83 WeakPolarHBondContact O-CD1 3.22Å; V79-L83 PolarHBondContact O-N 2.86Å; L83-E86 PolarHBondContact O-N 2.79Å; L83-L87 VanDerWaalsContact O-CB 3.22Å; L83-L87 WeakPolarHBondContact O-CB 3.42Å; L83-L87 PolarHBondContact O-N 2.93Å
84	S	81.9	Confident	82.4	Confident	70 Å²	70	100.6 Å²	100.6	49%	0.49	52%	0.516	S	S	.	.	H	α-helix	trans	-66.9	-38.9	178.1	-171.9	0	0	0	0	111.6	L80 S81 E82 Q88	L80-S84 VanDerWaalsContact O-CB 3.28Å; L80-S84 WeakPolarHBondContact O-CB 3.22Å; L80-S84 PolarHBondContact O-N 3.29Å; S81-S84 WeakPolarHBondContact O-CB 3.43Å; S81-S84 PolarHBondContact O-N 3.24Å; E82-S84 PolarHBondContact O-N 2.89Å; S84-Q88 WeakPolarHBondContact O-CB 3.25Å; S84-Q88 PolarHBondContact O-N 2.73Å
85	E	83.5	Confident	81.6	Confident	123 Å²	123	102.4 Å²	102.4	58%	0.575	52%	0.518	S	S	*	.	H	α-helix	trans	-71	-39.9	176.1	-172.6	167	-164.1	0	0	111.5	S81 E82 Q88 N89	S81-E85 PolarHBondContact O-N 2.85Å; E82-E85 PolarHBondContact O-N 2.81Å; E85-Q88 PolarHBondContact O-N 2.73Å; E85-N89 WeakPolarHBondContact O-CB 3.31Å; E85-N89 PolarHBondContact O-N 3.01Å; E85-N89 PolarHBondContact O-ND2 3.03Å
86	E	85.5	Confident	80.8	Confident	102 Å²	102	102.2 Å²	102.2	48%	0.477	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-42	172.6	-157.7	-155.8	-172.4	0	0	111.7	E82 L83 N89 K90	E82-E86 WeakPolarHBondContact O-CB 3.3Å; E82-E86 PolarHBondContact O-N 2.59Å; L83-E86 PolarHBondContact O-N 2.79Å; E86-N89 PolarHBondContact O-N 3.1Å; E86-K90 VanDerWaalsContact CD-CE 3.5Å; E86-K90 HydrophobicContact CG-CD 4.46Å; E86-K90 WeakPolarHBondContact O-CB 3.5Å; E86-K90 WeakPolarHBondContact O-CG 3.4Å; E86-K90 PolarHBondContact O-N 3.3Å; E86-K90 WeakPolarHBondContact OE1-CE 3.39Å; E86-K90 IonicContact OE1-NZ 2.65Å; E86-K90 PolarHBondContact OE1-NZ 3.37Å; E86-K90 IonicContact OE2-NZ 2.64Å; E86-K90 PolarHBondContact OE2-NZ 3.08Å
87	L	79.3	Confident	79.7	Confident	109 Å²	109	102.2 Å²	102.2	57%	0.571	52%	0.52	S	S	*	.	H	α-helix	trans	-64.7	-43.8	176.6	-172.6	70.9	0	0	0	111.5	L83 N89 K90 C91	L83-L87 VanDerWaalsContact O-CB 3.22Å; L83-L87 WeakPolarHBondContact O-CB 3.42Å; L83-L87 PolarHBondContact O-N 2.93Å; L87-N89 VanDerWaalsContact C-N 3.35Å; L87-N89 PolarHBondContact O-N 3.26Å; L87-K90 PolarHBondContact O-N 2.78Å; L87-C91 PolarHBondContact O-N 2.89Å; L87-C91 PolarHBondContact O-SG 2.8Å; L87-C91 VanDerWaalsContact O-SG 3.42Å
88	Q	79.3	Confident	78.5	Confident	123 Å²	123	103.3 Å²	103.3	58%	0.575	52%	0.52	S	S	*	.	H	α-helix	trans	-61.5	-42.9	175.7	-178.1	171.4	-17.1	0	0	111.4	S84 E85 C91 I92	S84-Q88 WeakPolarHBondContact O-CB 3.25Å; S84-Q88 PolarHBondContact O-N 2.73Å; E85-Q88 PolarHBondContact O-N 2.73Å; Q88-C91 PolarHBondContact O-N 2.93Å; Q88-I92 HydrophobicContact CG-CD1 4.24Å; Q88-I92 WeakPolarHBondContact O-CG1 3.2Å; Q88-I92 PolarHBondContact O-N 2.87Å
89	N	80.2	Confident	77.1	Confident	80 Å²	80	98.8 Å²	98.8	43%	0.428	51%	0.51	S	S	.	.	H	α-helix	trans	-63.7	-41.4	174.6	-78.4	-54	0	0	0	112.3	E85 E86 L87 I92 Q93	E85-N89 WeakPolarHBondContact O-CB 3.31Å; E85-N89 PolarHBondContact O-N 3.01Å; E85-N89 PolarHBondContact O-ND2 3.03Å; E86-N89 PolarHBondContact O-N 3.1Å; L87-N89 VanDerWaalsContact C-N 3.35Å; L87-N89 PolarHBondContact O-N 3.26Å; N89-I92 PolarHBondContact O-N 3.07Å; N89-Q93 WeakPolarHBondContact O-CG 3.44Å; N89-Q93 PolarHBondContact O-N 3.16Å
90	K	82.3	Confident	75.8	Confident	91 Å²	91	100 Å²	100	40%	0.396	52%	0.517	S	S	.	.	H	α-helix	trans	-64.3	-38	173.5	-74.8	170.6	-177	167.2	0	112.3	E86 L87 Q93 L94	E86-K90 VanDerWaalsContact CD-CE 3.5Å; E86-K90 HydrophobicContact CG-CD 4.46Å; E86-K90 WeakPolarHBondContact O-CB 3.5Å; E86-K90 WeakPolarHBondContact O-CG 3.4Å; E86-K90 PolarHBondContact O-N 3.3Å; E86-K90 WeakPolarHBondContact OE1-CE 3.39Å; E86-K90 IonicContact OE1-NZ 2.65Å; E86-K90 PolarHBondContact OE1-NZ 3.37Å; E86-K90 IonicContact OE2-NZ 2.64Å; E86-K90 PolarHBondContact OE2-NZ 3.08Å; L87-K90 PolarHBondContact O-N 2.78Å; K90-Q93 PolarHBondContact O-N 3.31Å; K90-L94 WeakPolarHBondContact O-CB 3.41Å; K90-L94 WeakPolarHBondContact O-CG 3.05Å; K90-L94 PolarHBondContact O-N 2.72Å
91	C	75.3	Confident	74.3	Confident	60 Å²	60	100.4 Å²	100.4	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-40.6	172.2	-74.2	0	0	0	0	112.3	L87 Q88 Q93 L94 N95	L87-C91 PolarHBondContact O-N 2.89Å; L87-C91 PolarHBondContact O-SG 2.8Å; L87-C91 VanDerWaalsContact O-SG 3.42Å; Q88-C91 PolarHBondContact O-N 2.93Å; C91-Q93 VanDerWaalsContact C-N 3.35Å; C91-L94 PolarHBondContact O-N 2.93Å; C91-N95 WeakPolarHBondContact O-CB 3.46Å; C91-N95 VanDerWaalsContact O-CG 3.26Å; C91-N95 PolarHBondContact O-N 2.89Å
92	I	79.2	Confident	72.8	Confident	72 Å²	72	103.7 Å²	103.7	37%	0.369	52%	0.524	S	S	.	.	H	α-helix	trans	-63.8	-40.4	174.8	-68.6	163.1	0	0	0	110.9	Q88 N89 K96	Q88-I92 HydrophobicContact CG-CD1 4.24Å; Q88-I92 WeakPolarHBondContact O-CG1 3.2Å; Q88-I92 PolarHBondContact O-N 2.87Å; N89-I92 PolarHBondContact O-N 3.07Å; I92-K96 HydrophobicContact CG2-CD 4.35Å; I92-K96 WeakPolarHBondContact O-CG 3.33Å; I92-K96 PolarHBondContact O-N 2.76Å; I92-K96 VanDerWaalsContact O-N 3.12Å
93	Q	73.3	Confident	70.8	Confident	123 Å²	123	103.3 Å²	103.3	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-66.4	-43.4	174.5	-71.9	177.1	-5.2	0	0	112.3	N89 K90 C91 N95 K96 L97	N89-Q93 WeakPolarHBondContact O-CG 3.44Å; N89-Q93 PolarHBondContact O-N 3.16Å; K90-Q93 PolarHBondContact O-N 3.31Å; C91-Q93 VanDerWaalsContact C-N 3.35Å; Q93-N95 PolarHBondContact O-N 2.97Å; Q93-K96 PolarHBondContact O-N 3.18Å; Q93-L97 WeakPolarHBondContact O-CB 3.39Å; Q93-L97 WeakPolarHBondContact O-CG 3.38Å; Q93-L97 PolarHBondContact O-N 3.34Å
94	L	73.5	Confident	68.5	Low	100 Å²	100	100.8 Å²	100.8	52%	0.524	53%	0.532	S	S	.	.	H	α-helix	trans	-61.5	-40.9	175.9	-78.7	168.4	0	0	0	112.2	K90 C91 L97 Q98	K90-L94 WeakPolarHBondContact O-CB 3.41Å; K90-L94 WeakPolarHBondContact O-CG 3.05Å; K90-L94 PolarHBondContact O-N 2.72Å; C91-L94 PolarHBondContact O-N 2.93Å; L94-L97 PolarHBondContact O-N 2.85Å; L94-Q98 WeakPolarHBondContact O-CB 3.41Å; L94-Q98 WeakPolarHBondContact O-CG 3.22Å; L94-Q98 PolarHBondContact O-N 2.88Å
95	N	69.3	Low	66.1	Low	93 Å²	93	102 Å²	102	50%	0.497	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-45.3	175.9	-70.8	-12.6	0	0	0	111.3	C91 Q93 L97 Q98 D99	C91-N95 WeakPolarHBondContact O-CB 3.46Å; C91-N95 VanDerWaalsContact O-CG 3.26Å; C91-N95 PolarHBondContact O-N 2.89Å; Q93-N95 PolarHBondContact O-N 2.97Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.49Å; N95-Q98 PolarHBondContact O-N 2.84Å; N95-D99 PolarHBondContact O-N 2.95Å
96	K	71.3	Confident	64.5	Low	140 Å²	140	101.5 Å²	101.5	61%	0.609	55%	0.554	S	S	*	*	H	α-helix	trans	-59.3	-42.4	174.6	-73	173.6	177.8	-178	0	112.3	I92 Q93 D99 V100	I92-K96 HydrophobicContact CG2-CD 4.35Å; I92-K96 WeakPolarHBondContact O-CG 3.33Å; I92-K96 PolarHBondContact O-N 2.76Å; I92-K96 VanDerWaalsContact O-N 3.12Å; Q93-K96 PolarHBondContact O-N 3.18Å; K96-D99 PolarHBondContact O-N 3.15Å; K96-V100 WeakPolarHBondContact O-CG2 3.35Å; K96-V100 PolarHBondContact O-N 3.47Å; K96-V100 VanDerWaalsContact O-N 3.15Å
97	L	62	Low	61.9	Low	105 Å²	105	103.6 Å²	103.6	55%	0.55	57%	0.574	S	S	.	*	H	α-helix	trans	-66.7	-38.6	175.4	-74.9	164.9	0	0	0	112.2	Q93 L94 N95 D99 V100 L101	Q93-L97 WeakPolarHBondContact O-CB 3.39Å; Q93-L97 WeakPolarHBondContact O-CG 3.38Å; Q93-L97 PolarHBondContact O-N 3.34Å; L94-L97 PolarHBondContact O-N 2.85Å; N95-L97 VanDerWaalsContact C-N 3.34Å; N95-L97 PolarHBondContact O-N 3.49Å; L97-D99 VanDerWaalsContact C-N 3.34Å; L97-D99 PolarHBondContact O-N 3.39Å; L97-V100 PolarHBondContact O-N 3.4Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.3Å
98	Q	59.6	Low	59.4	Low	105 Å²	105	101.8 Å²	101.8	49%	0.491	58%	0.581	S	S	.	*	H	α-helix	trans	-64.7	-35.5	174.1	-79.5	-170.6	10.4	0	0	112.7	L94 N95 L101 K102	L94-Q98 WeakPolarHBondContact O-CB 3.41Å; L94-Q98 WeakPolarHBondContact O-CG 3.22Å; L94-Q98 PolarHBondContact O-N 2.88Å; N95-Q98 PolarHBondContact O-N 2.84Å; Q98-L101 PolarHBondContact O-N 2.99Å; Q98-K102 WeakPolarHBondContact O-CE 3.21Å; Q98-K102 VanDerWaalsContact O-CG 3.27Å; Q98-K102 WeakPolarHBondContact O-CG 3.36Å; Q98-K102 PolarHBondContact O-N 2.98Å
99	D	57.4	Low	57	Low	91 Å²	91	103.3 Å²	103.3	49%	0.487	59%	0.593	S	S	.	*	H	α-helix	trans	-71.1	-39.3	177.1	-70.9	-27.5	0	0	0	112	N95 K96 L97 L101 K102 S103	N95-D99 PolarHBondContact O-N 2.95Å; K96-D99 PolarHBondContact O-N 3.15Å; L97-D99 VanDerWaalsContact C-N 3.34Å; L97-D99 PolarHBondContact O-N 3.39Å; D99-L101 VanDerWaalsContact C-N 3.33Å; D99-L101 PolarHBondContact O-N 3.42Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-K102 VanDerWaalsContact O-N 3.15Å; D99-K102 IonicContact OD1-NZ 2.75Å; D99-K102 PolarHBondContact OD1-NZ 3.02Å; D99-S103 PolarHBondContact O-N 3.26Å
100	V	62	Low	54.5	Low	99 Å²	99	105.3 Å²	105.3	60%	0.6	61%	0.608	S	S	*	*	H	α-helix	trans	-59.7	-44	169.9	174.4	0	0	0	0	110.9	K96 L97 K102 S103	K96-V100 WeakPolarHBondContact O-CG2 3.35Å; K96-V100 PolarHBondContact O-N 3.47Å; K96-V100 VanDerWaalsContact O-N 3.15Å; L97-V100 PolarHBondContact O-N 3.4Å; V100-K102 VanDerWaalsContact C-N 3.26Å; V100-K102 PolarHBondContact O-N 3Å; V100-S103 PolarHBondContact O-N 2.96Å; V100-S103 PolarHBondContact O-OG 2.91Å
101	L	50.9	Low	52	Low	131 Å²	131	106.9 Å²	106.9	69%	0.686	63%	0.631	S	S	*	*	H	α-helix	trans	-67.5	-17.7	176.6	-74.3	165.9	0	0	0	114.5	L97 Q98 D99	L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.3Å; Q98-L101 PolarHBondContact O-N 2.99Å; D99-L101 VanDerWaalsContact C-N 3.33Å; D99-L101 PolarHBondContact O-N 3.42Å
102	K	51.8	Low	49.9	Very low	146 Å²	146	115 Å²	115	64%	0.635	65%	0.653	S	S	*	*	H	α-helix	trans	-79.6	-24.7	170.4	-70.2	161.1	-153.9	164.9	0	112.2	Q98 D99 V100	Q98-K102 WeakPolarHBondContact O-CE 3.21Å; Q98-K102 VanDerWaalsContact O-CG 3.27Å; Q98-K102 WeakPolarHBondContact O-CG 3.36Å; Q98-K102 PolarHBondContact O-N 2.98Å; D99-K102 PolarHBondContact O-N 3.35Å; D99-K102 VanDerWaalsContact O-N 3.15Å; D99-K102 IonicContact OD1-NZ 2.75Å; D99-K102 PolarHBondContact OD1-NZ 3.02Å; V100-K102 VanDerWaalsContact C-N 3.26Å; V100-K102 PolarHBondContact O-N 3Å
103	S	44.3	Very low	47.6	Very low	103 Å²	103	117 Å²	117	72%	0.72	67%	0.67	S	S	*	*	S	Bend	trans	-89.4	-4.2	-177.8	63	0	0	0	0	115.2	D99 V100	D99-S103 PolarHBondContact O-N 3.26Å; V100-S103 PolarHBondContact O-N 2.96Å; V100-S103 PolarHBondContact O-OG 2.91Å
104	G	35.7	Very low	45.5	Very low	50 Å²	50	116.9 Å²	116.9	52%	0.515	68%	0.68	S	S	.	*			trans	-150.4	123.5	-178.2	0	0	0	0	0	114.4
105	A	33.2	Very low	43.2	Very low	97 Å²	97	117.4 Å²	117.4	80%	0.802	69%	0.692	S	S	*	*			trans	-153.4	160	171.1	0	0	0	0	0	108.8
106	P	48.6	Very low	41.2	Very low	111 Å²	111	119.7 Å²	119.7	72%	0.721	71%	0.709	S	S	*	*			cis	-130.1	177.7	9.1	39.8	-23.9	0	0	0	115.7
107	T	31.3	Very low	39.1	Very low	147 Å²	147	124.6 Å²	124.6	90%	0.902	72%	0.724	S	S	*	*			trans	135.3	156.5	145.4	55.7	0	0	0	0	113.7
108	G	27.8	Very low	37.4	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	74%	0.737	S	S	*	*			trans	112.4	72	157.2	0	0	0	0	0	120
109	L	27.8	Very low	35.8	Very low	156 Å²	156	125.3 Å²	125.3	82%	0.817	76%	0.755	S	S	*	*			trans	32.7	127.5	135.2	-68.2	167.2	0	0	0	123.2
110	T	28.8	Very low	34.4	Very low	122 Å²	122	124.9 Å²	124.9	75%	0.748	77%	0.772	S	S	*	*			trans	83.2	150.9	131.2	59.6	0	0	0	0	124.8
111	S	27.8	Very low	32.7	Very low	124 Å²	124	130.4 Å²	130.4	87%	0.867	79%	0.788	S	S	*	*			trans	95.1	150.3	157.8	82.7	0	0	0	0	119.1
112	R	32.7	Very low	31.6	Very low	230 Å²	230	130.1 Å²	130.1	87%	0.868	80%	0.797	S	S	*	*			trans	-153.6	121.2	-165.6	169.4	-169.7	174.1	-163.8	1.4	110.2
113	P	30.1	Very low	30.6	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.1	161.7	168.1	-15.8	32.6	0	0	0	113.5
114	P	28.8	Very low	30.5	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-94.2	170.9	-169.8	37.6	-36.9	0	0	0	114.9
115	S	26.7	Very low	30.2	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-83	147.6	171.1	50.1	0	0	0	0	112.6
116	V	27.3	Very low	30.2	Very low	140 Å²	140	133.5 Å²	133.5	85%	0.848	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-100.3	123.1	169.8	178.3	0	0	0	0	109.3
117	R	26.3	Very low	29.6	Very low	244 Å²	244	132.1 Å²	132.1	92%	0.921	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.1	136.9	163.5	-79.5	178	167.2	173.4	-4.6	109
118	A	27.2	Very low	29.8	Very low	100 Å²	100	128.5 Å²	128.5	83%	0.826	77%	0.773	S	S	*	*			trans	-127.2	124.7	162.6	0	0	0	0	0	108.8
119	S	26.2	Very low	30.2	Very low	125 Å²	125	132.4 Å²	132.4	87%	0.874	77%	0.766	S	S	*	*			trans	-113.4	126.7	179.9	54.5	0	0	0	0	110.1
120	G	26.5	Very low	30.7	Very low	81 Å²	81	129.4 Å²	129.4	84%	0.835	75%	0.75	S	S	*	*			trans	-146	132.9	172.1	0	0	0	0	0	110.7
121	K	27.5	Very low	31	Very low	215 Å²	215	130.7 Å²	130.7	94%	0.935	75%	0.745	S	S	*	*			trans	-112.2	127.6	175	-73.6	-179.2	175.7	179.9	0	109.8
122	S	27.3	Very low	31.3	Very low	125 Å²	125	130 Å²	130	87%	0.874	73%	0.728	S	S	*	*			trans	-170.3	162.1	149.9	49.7	0	0	0	0	110
123	S	30.5	Very low	31.6	Very low	116 Å²	116	120.9 Å²	120.9	81%	0.811	70%	0.698	S	S	*	*			trans	-153.6	165.5	-173.2	-62.9	0	0	0	0	109.3
124	P	42.7	Very low	32	Very low	103 Å²	103	121.3 Å²	121.3	67%	0.669	69%	0.693	S	S	*	*			cis	-127.9	162.1	-41.4	36.7	-23.9	0	0	0	111.5
125	N	29.8	Very low	32.7	Very low	116 Å²	116	119.9 Å²	119.9	62%	0.62	68%	0.679	S	S	*	*			trans	-119.7	128.7	168	-98.2	-49.7	0	0	0	110.9	S127 V128 R129	N125-S127 VanDerWaalsContact C-N 3.3Å; N125-S127 PolarHBondContact O-N 2.85Å; N125-V128 HydrophobicContact CB-CB 4.49Å; N125-V128 HydrophobicContact CB-CG2 3.83Å; N125-V128 WeakPolarHBondContact O-CB 3.37Å; N125-V128 PolarHBondContact O-N 3.06Å; N125-R129 PolarHBondContact O-N 3.29Å
126	L	33.7	Very low	33.7	Very low	133 Å²	133	121.2 Å²	121.2	70%	0.696	67%	0.667	S	S	*	*	H	α-helix	trans	-63.4	-35	-171.2	-166.7	66	0	0	0	112.8	V128 R129 I130	L126-V128 VanDerWaalsContact C-N 3.28Å; L126-V128 PolarHBondContact O-N 2.93Å; L126-R129 PolarHBondContact O-N 3.36Å; L126-I130 PolarHBondContact O-N 3.41Å
127	S	35	Very low	34.9	Very low	82 Å²	82	118.4 Å²	118.4	57%	0.573	64%	0.641	S	S	*	*	H	α-helix	trans	-69.1	-20.4	175.1	55.5	0	0	0	0	114.2	N125	N125-S127 VanDerWaalsContact C-N 3.3Å; N125-S127 PolarHBondContact O-N 2.85Å
128	V	36.4	Very low	36.1	Very low	70 Å²	70	114.2 Å²	114.2	42%	0.424	63%	0.63	S	S	.	*	H	α-helix	trans	-76.5	-44.1	172.9	-178.6	0	0	0	0	109.8	N125 L126 I130 K131 E132	N125-V128 HydrophobicContact CB-CB 4.49Å; N125-V128 HydrophobicContact CB-CG2 3.83Å; N125-V128 WeakPolarHBondContact O-CB 3.37Å; N125-V128 PolarHBondContact O-N 3.06Å; L126-V128 VanDerWaalsContact C-N 3.28Å; L126-V128 PolarHBondContact O-N 2.93Å; V128-I130 VanDerWaalsContact C-N 3.31Å; V128-I130 PolarHBondContact O-N 3.39Å; V128-K131 CarbonylContact O-C 3.27Å; V128-K131 WeakPolarHBondContact O-CA 3.18Å; V128-K131 WeakPolarHBondContact O-CB 3.19Å; V128-K131 PolarHBondContact O-N 3.3Å; V128-E132 HydrophobicContact CG1-CG 4.1Å; V128-E132 WeakPolarHBondContact O-CG 3.39Å; V128-E132 PolarHBondContact O-N 2.84Å
129	R	35.6	Very low	37.6	Very low	152 Å²	152	112.2 Å²	112.2	57%	0.574	62%	0.619	S	S	*	*	H	α-helix	trans	-54.3	-43.3	178.1	-92.4	-173.7	174	175.8	0.8	113.3	N125 L126 K131 E132 T133	N125-R129 PolarHBondContact O-N 3.29Å; L126-R129 PolarHBondContact O-N 3.36Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 3.04Å; R129-E132 PolarHBondContact O-N 3.27Å; R129-T133 WeakPolarHBondContact O-CG2 3.37Å; R129-T133 PolarHBondContact O-N 3.05Å; R129-T133 PolarHBondContact O-OG1 2.97Å
130	I	38.7	Very low	39.7	Very low	94 Å²	94	108 Å²	108	48%	0.482	59%	0.592	S	S	.	*	H	α-helix	trans	-62.9	-37.5	178.2	-63.1	170.5	0	0	0	111	L126 V128 T133 L134	L126-I130 PolarHBondContact O-N 3.41Å; V128-I130 VanDerWaalsContact C-N 3.31Å; V128-I130 PolarHBondContact O-N 3.39Å; I130-T133 PolarHBondContact O-OG1 2.66Å; I130-L134 HydrophobicContact CG2-CD1 4.08Å; I130-L134 WeakPolarHBondContact O-CB 3.45Å; I130-L134 WeakPolarHBondContact O-CD1 3.08Å; I130-L134 VanDerWaalsContact O-CG 3.25Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.19Å; I130-L134 VanDerWaalsContact O-N 3.15Å
131	K	33.9	Very low	42.4	Very low	148 Å²	148	105.5 Å²	105.5	64%	0.643	56%	0.558	S	S	*	*	H	α-helix	trans	-73.4	-33.1	174.9	-72.5	-179.4	175.7	179	0	112.5	V128 R129 N135	V128-K131 CarbonylContact O-C 3.27Å; V128-K131 WeakPolarHBondContact O-CA 3.18Å; V128-K131 WeakPolarHBondContact O-CB 3.19Å; V128-K131 PolarHBondContact O-N 3.3Å; R129-K131 VanDerWaalsContact C-N 3.29Å; R129-K131 PolarHBondContact O-N 3.04Å; K131-N135 VanDerWaalsContact O-CB 3.25Å; K131-N135 WeakPolarHBondContact O-CB 3.46Å; K131-N135 VanDerWaalsContact O-CG 3.28Å; K131-N135 PolarHBondContact O-N 2.94Å; K131-N135 PolarHBondContact O-ND2 3.41Å; K131-N135 VanDerWaalsContact O-ND2 3.12Å
132	E	34.4	Very low	44.9	Very low	111 Å²	111	98.9 Å²	98.9	52%	0.519	54%	0.543	S	S	.	.	H	α-helix	trans	-68.7	-43.1	175.4	-71.2	178.2	135.8	0	0	112.2	V128 R129 N135 R136	V128-E132 HydrophobicContact CG1-CG 4.1Å; V128-E132 WeakPolarHBondContact O-CG 3.39Å; V128-E132 PolarHBondContact O-N 2.84Å; R129-E132 PolarHBondContact O-N 3.27Å; E132-N135 PolarHBondContact O-N 3.46Å; E132-R136 PolarHBondContact O-N 3.05Å
133	T	39.4	Very low	47.1	Very low	38 Å²	38	94.3 Å²	94.3	23%	0.233	52%	0.516	C	S	.	.	H	α-helix	trans	-71.1	-39.6	179	56.5	0	0	0	0	111.9	R129 I130 N135 R136 R137 K756	R129-T133 WeakPolarHBondContact O-CG2 3.37Å; R129-T133 PolarHBondContact O-N 3.05Å; R129-T133 PolarHBondContact O-OG1 2.97Å; I130-T133 PolarHBondContact O-OG1 2.66Å; T133-N135 VanDerWaalsContact C-N 3.3Å; T133-N135 PolarHBondContact O-N 3.1Å; T133-R136 PolarHBondContact O-N 2.9Å; T133-R136 VanDerWaalsContact O-N 3.17Å; T133-R137 PolarHBondContact O-N 2.91Å; T133-K756 WeakPolarHBondContact CG2-O 3.26Å
134	L	38.8	Very low	49.6	Very low	122 Å²	122	90 Å²	90	64%	0.639	49%	0.485	S	S	*	.	H	α-helix	trans	-61.4	-36.4	168.8	-73.9	170.5	0	0	0	112.5	I130 K138	I130-L134 HydrophobicContact CG2-CD1 4.08Å; I130-L134 WeakPolarHBondContact O-CB 3.45Å; I130-L134 WeakPolarHBondContact O-CD1 3.08Å; I130-L134 VanDerWaalsContact O-CG 3.25Å; I130-L134 WeakPolarHBondContact O-CG 3.47Å; I130-L134 PolarHBondContact O-N 3.19Å; I130-L134 VanDerWaalsContact O-N 3.15Å; L134-K138 PolarHBondContact O-N 2.67Å
135	N	43.5	Very low	51.3	Low	91 Å²	91	85.8 Å²	85.8	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-71.2	-27.6	174.1	-84.4	-36.2	0	0	0	113.1	K131 E132 T133 K138	K131-N135 VanDerWaalsContact O-CB 3.25Å; K131-N135 WeakPolarHBondContact O-CB 3.46Å; K131-N135 VanDerWaalsContact O-CG 3.28Å; K131-N135 PolarHBondContact O-N 2.94Å; K131-N135 PolarHBondContact O-ND2 3.41Å; K131-N135 VanDerWaalsContact O-ND2 3.12Å; E132-N135 PolarHBondContact O-N 3.46Å; T133-N135 VanDerWaalsContact C-N 3.3Å; T133-N135 PolarHBondContact O-N 3.1Å; N135-K138 WeakPolarHBondContact O-CB 3.42Å; N135-K138 PolarHBondContact O-N 2.76Å; N135-K138 PolarHBondContact OD1-NZ 2.88Å
136	R	47.4	Very low	53.5	Low	140 Å²	140	80.2 Å²	80.2	53%	0.528	43%	0.428	S	S	.	.	H	α-helix	trans	-73.2	-36.5	179.4	-83	-164.9	171.2	-159.2	-7.3	114.3	E132 T133 K138 W552 R556 D755	E132-R136 PolarHBondContact O-N 3.05Å; T133-R136 PolarHBondContact O-N 2.9Å; T133-R136 VanDerWaalsContact O-N 3.17Å; R136-K138 VanDerWaalsContact C-N 3.28Å; R136-W552 VanDerWaalsContact O-CH2 3.28Å; R136-W552 WeakPolarHBondContact O-CH2 3.1Å; R136-R556 PolarHBondContact O-NH1 2.83Å; R136-D755 WeakPolarHBondContact CB-OD2 3.24Å; R136-D755 WeakPolarHBondContact CD-OD1 3.25Å; R136-D755 IonicContact CZ-OD1 3.48Å; R136-D755 IonicContact NE-OD1 2.68Å; R136-D755 IonicContact NH1-OD1 3.14Å; R136-D755 PolarHBondContact NH1-OD1 2.91Å
137	R	52.4	Low	55.3	Low	80 Å²	80	76.3 Å²	76.3	30%	0.302	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.2	172.4	-97.8	-170.5	166.4	-167.9	1.9	114.3	T133 G139 A140 V474 E550 W552 Y757	T133-R137 PolarHBondContact O-N 2.91Å; R137-G139 PolarHBondContact O-N 3.37Å; R137-A140 HydrophobicContact CG-CB 4.43Å; R137-A140 WeakPolarHBondContact O-CB 3.44Å; R137-A140 PolarHBondContact O-N 3.48Å; R137-V474 PolarHBondContact NH1-O 2.72Å; R137-E550 IonicContact CZ-OE1 3.73Å; R137-E550 IonicContact NE-OE1 2.67Å; R137-E550 IonicContact NH2-OE1 3.27Å; R137-E550 PolarHBondContact NH2-OE1 3.22Å; R137-W552 HydrophobicContact CG-CZ3 4.14Å; R137-Y757 WeakPolarHBondContact CD-OH 3.31Å; R137-Y757 VanDerWaalsContact CZ-OH 3.23Å; R137-Y757 PolarHBondContact NE-OH 3.18Å
138	K	52.3	Low	56.7	Low	156 Å²	156	73.3 Å²	73.3	68%	0.678	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	102.1	178.8	-165	177	-171.3	175	0	110.5	L134 N135 R136	L134-K138 PolarHBondContact O-N 2.67Å; N135-K138 WeakPolarHBondContact O-CB 3.42Å; N135-K138 PolarHBondContact O-N 2.76Å; N135-K138 PolarHBondContact OD1-NZ 2.88Å; R136-K138 VanDerWaalsContact C-N 3.28Å
139	G	58.6	Low	57.7	Low	58 Å²	58	71.6 Å²	71.6	60%	0.598	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	113.8	-0.7	-174.3	0	0	0	0	0	114.7	R137	R137-G139 PolarHBondContact O-N 3.37Å
140	A	70.4	Confident	58.5	Low	37 Å²	37	65.4 Å²	65.4	31%	0.306	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-69.4	133.6	166.4	0	0	0	0	0	109.8	R137 W552 E593	R137-A140 HydrophobicContact CG-CB 4.43Å; R137-A140 WeakPolarHBondContact O-CB 3.44Å; R137-A140 PolarHBondContact O-N 3.48Å; A140-W552 HydrophobicContact CB-CD2 4.27Å; A140-W552 HydrophobicContact CB-CE3 4.39Å; A140-W552 HydrophobicContact CB-CH2 3.92Å; A140-W552 HydrophobicContact CB-CZ2 3.76Å; A140-W552 HydrophobicContact CB-CZ3 4.22Å; A140-W552 VanDerWaalsContact N-CZ2 3.29Å; A140-E593 HydrophobicContact CB-CG 4.37Å
141	K	81.4	Confident	58.9	Low	29 Å²	29	67.2 Å²	67.2	13%	0.126	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-91.9	120.4	-168.5	-51.5	-174.3	-151.8	79.4	0	112.2	K591 E593 T626 Y629 E655	K141-K591 PolarHBondContact O-NZ 2.83Å; K141-E593 WeakPolarHBondContact CB-OE1 3.34Å; K141-E593 WeakPolarHBondContact CG-OE1 3.41Å; K141-E593 PolarHBondContact N-OE1 3.23Å; K141-E593 IonicContact NZ-OE1 2.7Å; K141-T626 HydrophobicContact CB-CG2 3.4Å; K141-T626 HydrophobicContact CD-CG2 4.11Å; K141-T626 HydrophobicContact CG-CG2 4.38Å; K141-Y629 HydrophobicContact CD-CE2 4.42Å; K141-E655 WeakPolarHBondContact CE-OE2 3.23Å; K141-E655 IonicContact NZ-OE1 3.57Å; K141-E655 PolarHBondContact NZ-OE1 2.99Å; K141-E655 IonicContact NZ-OE2 3.95Å; K141-E655 PolarHBondContact NZ-OE2 3.38Å
142	A	80.3	Confident	59.1	Low	76 Å²	76	65.3 Å²	65.3	63%	0.628	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-75.8	132.7	175.1	0	0	0	0	0	111.2
143	G	74.3	Confident	59.7	Low	29 Å²	29	65.6 Å²	65.6	30%	0.299	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-73.8	143.8	167.5	0	0	0	0	0	110.5	T626	G143-T626 WeakPolarHBondContact CA-OG1 3.37Å
144	V	82.7	Confident	60.1	Low	25 Å²	25	69.2 Å²	69.2	15%	0.152	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	156.1	173.3	-62.4	0	0	0	0	110.6	Y252 F610 F623 C624 G625 P627	V144-Y252 HydrophobicContact CB-CD2 3.61Å; V144-Y252 HydrophobicContact CB-CE2 3.52Å; V144-Y252 HydrophobicContact CB-CG 4.3Å; V144-Y252 HydrophobicContact CG1-CD2 4.19Å; V144-Y252 HydrophobicContact CG1-CE2 3.6Å; V144-Y252 HydrophobicContact CG2-CD1 4.23Å; V144-Y252 HydrophobicContact CG2-CD2 3.86Å; V144-Y252 HydrophobicContact CG2-CE1 4.11Å; V144-Y252 HydrophobicContact CG2-CE2 3.72Å; V144-Y252 HydrophobicContact CG2-CG 4.11Å; V144-F610 WeakPolarHBondContact O-CE2 3.23Å; V144-F610 WeakPolarHBondContact O-CZ 3.38Å; V144-F623 HydrophobicContact CG2-CE1 4.02Å; V144-C624 CarbonylContact O-C 3.5Å; V144-C624 WeakPolarHBondContact O-CA 3.37Å; V144-G625 VanDerWaalsContact CG2-O 3.25Å; V144-G625 WeakPolarHBondContact CG2-O 3.5Å; V144-G625 PolarHBondContact N-O 3.16Å; V144-G625 PolarHBondContact O-N 3.49Å; V144-P627 HydrophobicContact CG2-CG 4.42Å
145	S	79.1	Confident	61	Low	14 Å²	14	73.3 Å²	73.3	10%	0.098	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	148.3	176	-157.1	0	0	0	0	112.1	N253 F623 C624	S145-N253 PolarHBondContact O-N 3.47Å; S145-F623 CarbonylContact C-O 3.58Å; S145-F623 WeakPolarHBondContact CA-O 3.45Å; S145-C624 WeakPolarHBondContact OG-CB 3.31Å
146	A	74.6	Confident	62.2	Low	0 Å²	0	71.8 Å²	71.8	0%	0	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-82.3	172.3	160.1	0	0	0	0	0	110.2	T622 F623	A146-T622 HydrophobicContact CB-CG2 4.33Å; A146-F623 HydrophobicContact CB-CB 4.34Å; A146-F623 PolarHBondContact N-O 2.92Å
147	E	71.7	Confident	63.4	Low	51 Å²	51	67 Å²	67	24%	0.238	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.8	146.3	168.3	-72.6	155.6	-97.7	0	0	110.8	T149 R273 R506 T622	E147-T149 PolarHBondContact O-N 3.29Å; E147-R273 IonicContact OE1-NH1 2.69Å; E147-R273 PolarHBondContact OE1-NH1 2.64Å; E147-R506 HydrophobicContact CG-CB 4.29Å; E147-R506 WeakPolarHBondContact OE2-CD 3.32Å; E147-R506 IonicContact OE2-CZ 3.85Å; E147-R506 IonicContact OE2-NE 3.58Å; E147-R506 IonicContact OE2-NH1 2.71Å; E147-R506 PolarHBondContact OE2-NH1 2.98Å; E147-T622 PolarHBondContact O-OG1 3Å
148	P	64.1	Low	64.2	Low	19 Å²	19	64.3 Å²	64.3	12%	0.123	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.7	175.9	25.7	-32.3	0	0	0	110.3	S150 R506 E509	P148-S150 PolarHBondContact O-N 3.3Å; P148-R506 WeakPolarHBondContact CD-O 3.42Å; P148-E509 HydrophobicContact CB-CB 4.05Å; P148-E509 HydrophobicContact CB-CG 4.4Å; P148-E509 HydrophobicContact CG-CB 3.85Å
149	T	59.3	Low	65.1	Low	33 Å²	33	64.5 Å²	64.5	20%	0.202	39%	0.393	C	S	.	.			trans	-75.8	75.8	174.3	32.9	0	0	0	0	110.1	E147 T622	E147-T149 PolarHBondContact O-N 3.29Å; T149-T622 PolarHBondContact N-OG1 3.3Å; T149-T622 PolarHBondContact OG1-OG1 3.41Å
150	S	51.7	Low	65.9	Low	23 Å²	23	70.7 Å²	70.7	16%	0.161	40%	0.403	C	S	.	.			trans	-67.8	159.9	-178.3	98.2	0	0	0	0	112.1	P148 S152 L153 E509	P148-S150 PolarHBondContact O-N 3.3Å; S150-S152 PolarHBondContact OG-N 2.89Å; S150-S152 PolarHBondContact OG-OG 3.35Å; S150-L153 PolarHBondContact OG-N 2.75Å; S150-E509 VanDerWaalsContact CB-OE2 3.23Å; S150-E509 WeakPolarHBondContact CB-OE2 3.45Å
151	S	46.3	Very low	66.4	Low	131 Å²	131	70.1 Å²	70.1	92%	0.916	40%	0.399	S	S	*	.	S	Bend	trans	-95.8	2.8	171.2	56.7	0	0	0	0	113.6
152	S	39.4	Very low	66.6	Low	108 Å²	108	74.7 Å²	74.7	76%	0.755	42%	0.415	S	S	*	.	S	Bend	trans	-102.8	-16.7	-175.4	54.3	0	0	0	0	114.2	S150	S150-S152 PolarHBondContact OG-N 2.89Å; S150-S152 PolarHBondContact OG-OG 3.35Å
153	L	45.1	Very low	67.1	Low	118 Å²	118	73.3 Å²	73.3	62%	0.618	40%	0.399	S	S	*	.	S	Bend	trans	-69.8	150.9	173	-74.2	168.2	0	0	0	111.4	S150 K155	S150-L153 PolarHBondContact OG-N 2.75Å; L153-K155 PolarHBondContact O-N 3.29Å
154	P	48.3	Very low	67.7	Low	113 Å²	113	77.9 Å²	77.9	73%	0.734	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-58.6	136.1	177.4	25.1	-34.4	0	0	0	110.8	F156	P154-F156 PolarHBondContact O-N 2.64Å; P154-F156 VanDerWaalsContact O-N 3.09Å
155	K	59	Low	68.2	Low	209 Å²	209	78 Å²	78	91%	0.909	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-61.2	116.2	-179	-71.3	-175.6	178.1	-179.6	0	110.6	L153 S157	L153-K155 PolarHBondContact O-N 3.29Å; K155-S157 PolarHBondContact O-N 3.5Å; K155-S157 VanDerWaalsContact O-N 3.15Å
156	F	67.3	Low	68.7	Low	58 Å²	58	82.9 Å²	82.9	25%	0.254	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-51.2	116.6	176	-178.5	-94.1	0	0	0	111.3	P154 F158 A161 E274 A275 N278	P154-F156 PolarHBondContact O-N 2.64Å; P154-F156 VanDerWaalsContact O-N 3.09Å; F156-F158 HydrophobicContact CE1-CD2 4.1Å; F156-F158 PolarHBondContact O-N 2.95Å; F156-A161 HydrophobicContact CE1-CB 4.01Å; F156-A161 HydrophobicContact CE2-CB 4.16Å; F156-A161 HydrophobicContact CZ-CB 3.44Å; F156-A161 VanDerWaalsContact CZ-CB 3.44Å; F156-E274 HydrophobicContact CD2-CG 4Å; F156-E274 HydrophobicContact CE2-CG 4.37Å; F156-A275 HydrophobicContact CE2-CB 4.19Å; F156-A275 HydrophobicContact CZ-CB 3.79Å; F156-N278 HydrophobicContact CB-CB 4.19Å; F156-N278 VanDerWaalsContact CB-CG 3.5Å; F156-N278 WeakPolarHBondContact CB-ND2 3.36Å; F156-N278 HydrophobicContact CD1-CB 3.56Å; F156-N278 HydrophobicContact CE1-CB 4.02Å; F156-N278 HydrophobicContact CG-CB 3.85Å; F156-N278 WeakPolarHBondContact CG-ND2 3.22Å
157	S	72.9	Confident	69.5	Low	41 Å²	41	86.9 Å²	86.9	29%	0.287	48%	0.48	S	S	.	.			trans	-92.6	102.4	-179	176.6	0	0	0	0	109.7	K155 E159 K160 A161	K155-S157 PolarHBondContact O-N 3.5Å; K155-S157 VanDerWaalsContact O-N 3.15Å; S157-E159 PolarHBondContact O-N 2.86Å; S157-K160 PolarHBondContact O-N 2.88Å; S157-A161 PolarHBondContact O-N 3.09Å; S157-A161 VanDerWaalsContact O-N 3.15Å
158	F	70.3	Confident	70.5	Confident	22 Å²	22	87.9 Å²	87.9	10%	0.096	49%	0.493	C	S	.	.	H	α-helix	trans	-56.5	-36.5	179.6	-164.7	-106.3	0	0	0	112.4	F156 K160 A161 R162 D193 C197 I279	F156-F158 HydrophobicContact CE1-CD2 4.1Å; F156-F158 PolarHBondContact O-N 2.95Å; F158-K160 VanDerWaalsContact C-N 3.34Å; F158-K160 PolarHBondContact O-N 3.15Å; F158-A161 PolarHBondContact O-N 3.47Å; F158-R162 HydrophobicContact CD1-CG 4.35Å; F158-R162 HydrophobicContact CE1-CG 4.17Å; F158-R162 VanDerWaalsContact CE1-NE 3.26Å; F158-R162 WeakPolarHBondContact O-CG 3.28Å; F158-R162 PolarHBondContact O-N 3.23Å; F158-R162 VanDerWaalsContact O-N 3.16Å; F158-D193 HydrophobicContact CE1-CB 4.38Å; F158-D193 VanDerWaalsContact CE1-OD1 3.3Å; F158-D193 WeakPolarHBondContact CE1-OD1 3.15Å; F158-D193 HydrophobicContact CE2-CB 4.01Å; F158-D193 HydrophobicContact CZ-CB 3.47Å; F158-D193 VanDerWaalsContact CZ-CB 3.47Å; F158-D193 WeakPolarHBondContact CZ-OD1 3.37Å; F158-C197 WeakPolarHBondContact CE2-SG 3.2Å; F158-I279 HydrophobicContact CD2-CG1 4.44Å; F158-I279 HydrophobicContact CE2-CD1 4.17Å; F158-I279 HydrophobicContact CE2-CG1 3.75Å
159	E	70.9	Confident	71.9	Confident	161 Å²	161	88.4 Å²	88.4	75%	0.752	50%	0.495	S	S	*	.	H	α-helix	trans	-61.6	-38.1	176.7	-70.5	148	-166.7	0	0	112.9	S157	S157-E159 PolarHBondContact O-N 2.86Å
160	K	74.8	Confident	73.6	Confident	187 Å²	187	89.3 Å²	89.3	81%	0.813	50%	0.497	S	S	*	.	H	α-helix	trans	-77.5	-21.7	175.8	-65.2	-177.9	-177.2	-174.9	0	113.3	S157 F158	S157-K160 PolarHBondContact O-N 2.88Å; F158-K160 VanDerWaalsContact C-N 3.34Å; F158-K160 PolarHBondContact O-N 3.15Å
161	A	81.1	Confident	75.6	Confident	26 Å²	26	94.7 Å²	94.7	22%	0.215	52%	0.517	C	S	.	.	H	α-helix	trans	-86.8	-11.1	177.7	0	0	0	0	0	113.6	F156 S157 F158 C197	F156-A161 HydrophobicContact CE1-CB 4.01Å; F156-A161 HydrophobicContact CE2-CB 4.16Å; F156-A161 HydrophobicContact CZ-CB 3.44Å; F156-A161 VanDerWaalsContact CZ-CB 3.44Å; S157-A161 PolarHBondContact O-N 3.09Å; S157-A161 VanDerWaalsContact O-N 3.15Å; F158-A161 PolarHBondContact O-N 3.47Å; A161-C197 WeakPolarHBondContact O-CA 3.29Å
162	R	86.6	Confident	77.9	Confident	125 Å²	125	91.5 Å²	91.5	47%	0.472	49%	0.489	S	S	.	.			trans	-73.4	129.1	177.1	-77.2	-173.1	168.4	177.2	-4.7	111.5	F158 D193 E196	F158-R162 HydrophobicContact CD1-CG 4.35Å; F158-R162 HydrophobicContact CE1-CG 4.17Å; F158-R162 VanDerWaalsContact CE1-NE 3.26Å; F158-R162 WeakPolarHBondContact O-CG 3.28Å; F158-R162 PolarHBondContact O-N 3.23Å; F158-R162 VanDerWaalsContact O-N 3.16Å; R162-D193 IonicContact NH2-OD1 2.72Å; R162-E196 HydrophobicContact CG-CB 4.12Å
163	V	88.9	Confident	80.6	Confident	47 Å²	47	86.4 Å²	86.4	29%	0.285	45%	0.453	S	S	.	.			trans	-113.2	122.6	176.8	176	0	0	0	0	109	K165 E196 M198	V163-K165 PolarHBondContact O-NZ 2.83Å; V163-E196 PolarHBondContact N-O 3.43Å; V163-M198 WeakPolarHBondContact CB-O 3.23Å
164	P	87.7	Confident	83	Confident	124 Å²	124	82.2 Å²	82.2	81%	0.805	43%	0.433	S	S	*	.			trans	-56.8	138.1	177.6	-25.8	35	0	0	0	113
165	K	92.3	Very high	85.1	Confident	27 Å²	27	79.8 Å²	79.8	12%	0.117	41%	0.414	C	S	.	.			trans	-151.6	148.8	179.7	-58.2	174.8	-166.9	72.4	0	110.7	V163 V169 K170 L173 V195 E196 M198 W269	V163-K165 PolarHBondContact O-NZ 2.83Å; K165-V169 HydrophobicContact CD-CG1 4.48Å; K165-K170 HydrophobicContact CB-CD 4.45Å; K165-K170 HydrophobicContact CB-CG 3.86Å; K165-K170 HydrophobicContact CD-CG 4.46Å; K165-K170 VanDerWaalsContact O-CE 3.28Å; K165-K170 WeakPolarHBondContact O-CE 3.5Å; K165-L173 HydrophobicContact CD-CD1 3.89Å; K165-V195 WeakPolarHBondContact CE-O 3.42Å; K165-V195 PolarHBondContact NZ-O 3.08Å; K165-E196 PolarHBondContact NZ-O 2.98Å; K165-M198 WeakPolarHBondContact CE-O 3.44Å; K165-M198 PolarHBondContact NZ-O 3.39Å; K165-W269 HydrophobicContact CD-CE3 4.26Å; K165-W269 HydrophobicContact CD-CH2 4.08Å; K165-W269 HydrophobicContact CD-CZ3 3.88Å; K165-W269 HydrophobicContact CG-CH2 3.88Å; K165-W269 HydrophobicContact CG-CZ3 4Å
166	D	91.1	Very high	86.8	Confident	117 Å²	117	69.9 Å²	69.9	63%	0.626	37%	0.371	S	S	*	.			trans	-66.6	151.1	172.8	-60.8	-39.5	0	0	0	112.4	S168 V169 K170	D166-S168 PolarHBondContact O-N 3.18Å; D166-V169 HydrophobicContact CB-CG2 4.32Å; D166-V169 PolarHBondContact O-N 2.98Å; D166-V169 VanDerWaalsContact O-N 3.1Å; D166-K170 WeakPolarHBondContact O-CG 3.16Å; D166-K170 PolarHBondContact O-N 2.94Å
167	A	91.6	Very high	88.1	Confident	84 Å²	84	67.1 Å²	67.1	69%	0.694	36%	0.359	S	S	*	.	H	α-helix	trans	-58.9	-32.6	179	0	0	0	0	0	113.2	K171	A167-K171 PolarHBondContact O-N 2.87Å
168	S	92.9	Very high	89	Confident	73 Å²	73	68.4 Å²	68.4	51%	0.51	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-48.5	173.6	50.2	0	0	0	0	112	D166 K171 L172	D166-S168 PolarHBondContact O-N 3.18Å; S168-K171 PolarHBondContact O-N 3.21Å; S168-L172 WeakPolarHBondContact O-CG 3.39Å; S168-L172 PolarHBondContact O-N 2.91Å
169	V	93.3	Very high	90	Very high	30 Å²	30	74 Å²	74	18%	0.182	39%	0.387	C	S	.	.	H	α-helix	trans	-64.8	-43.4	176.9	178.8	0	0	0	0	110.7	K165 D166 K171 L172 L173 W269	K165-V169 HydrophobicContact CD-CG1 4.48Å; D166-V169 HydrophobicContact CB-CG2 4.32Å; D166-V169 PolarHBondContact O-N 2.98Å; D166-V169 VanDerWaalsContact O-N 3.1Å; V169-K171 VanDerWaalsContact C-N 3.3Å; V169-K171 PolarHBondContact O-N 2.62Å; V169-L172 PolarHBondContact O-N 2.79Å; V169-L173 HydrophobicContact CG1-CD1 4.02Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 WeakPolarHBondContact O-CB 3.36Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 2.67Å; V169-W269 HydrophobicContact CG1-CZ2 3.66Å
170	K	93.8	Very high	90.9	Very high	52 Å²	52	67.1 Å²	67.1	23%	0.226	36%	0.355	C	S	.	.	H	α-helix	trans	-59.1	-40	176	-69.4	-175.7	175	-169	0	112.3	K165 D166 T174 V195 E196	K165-K170 HydrophobicContact CB-CD 4.45Å; K165-K170 HydrophobicContact CB-CG 3.86Å; K165-K170 HydrophobicContact CD-CG 4.46Å; K165-K170 VanDerWaalsContact O-CE 3.28Å; K165-K170 WeakPolarHBondContact O-CE 3.5Å; D166-K170 WeakPolarHBondContact O-CG 3.16Å; D166-K170 PolarHBondContact O-N 2.94Å; K170-T174 WeakPolarHBondContact O-CB 3.27Å; K170-T174 PolarHBondContact O-N 2.87Å; K170-T174 PolarHBondContact O-OG1 2.8Å; K170-V195 HydrophobicContact CB-CG1 3.95Å; K170-V195 HydrophobicContact CG-CG1 3.94Å; K170-E196 WeakPolarHBondContact CE-OE1 3.49Å; K170-E196 WeakPolarHBondContact CE-OE2 3.47Å; K170-E196 IonicContact NZ-OE1 2.66Å; K170-E196 PolarHBondContact NZ-OE1 3.27Å; K170-E196 IonicContact NZ-OE2 2.75Å; K170-E196 PolarHBondContact NZ-OE2 2.55Å
171	K	93.9	Very high	91.3	Very high	135 Å²	135	63.7 Å²	63.7	59%	0.587	34%	0.342	S	S	*	.	H	α-helix	trans	-64	-51.4	173	-175.7	179.9	177	-178.4	0	111.6	A167 S168 V169 L173 T174 D175	A167-K171 PolarHBondContact O-N 2.87Å; S168-K171 PolarHBondContact O-N 3.21Å; V169-K171 VanDerWaalsContact C-N 3.3Å; V169-K171 PolarHBondContact O-N 2.62Å; K171-L173 VanDerWaalsContact C-N 3.28Å; K171-L173 PolarHBondContact O-N 3.34Å; K171-T174 WeakPolarHBondContact O-CA 3.37Å; K171-T174 WeakPolarHBondContact O-CB 3.49Å; K171-T174 PolarHBondContact O-N 3.2Å; K171-D175 PolarHBondContact O-N 3.24Å
172	L	95.6	Very high	91.5	Very high	65 Å²	65	62.7 Å²	62.7	34%	0.34	33%	0.333	S	S	.	.	H	α-helix	trans	-60.7	-35.7	-178.4	-70.9	166.1	0	0	0	112.9	S168 V169 A176 W242	S168-L172 WeakPolarHBondContact O-CG 3.39Å; S168-L172 PolarHBondContact O-N 2.91Å; V169-L172 PolarHBondContact O-N 2.79Å; L172-A176 WeakPolarHBondContact O-CB 3.5Å; L172-A176 PolarHBondContact O-N 2.85Å; L172-W242 HydrophobicContact CB-CD2 3.89Å; L172-W242 HydrophobicContact CB-CE3 3.72Å; L172-W242 HydrophobicContact CB-CH2 3.91Å; L172-W242 HydrophobicContact CB-CZ2 4.07Å; L172-W242 HydrophobicContact CB-CZ3 3.73Å; L172-W242 HydrophobicContact CD1-CH2 4.16Å; L172-W242 HydrophobicContact CD1-CZ2 3.72Å; L172-W242 HydrophobicContact CD2-CD2 4.49Å; L172-W242 HydrophobicContact CG-CZ2 4.43Å
173	L	95.4	Very high	91.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-45.2	171	-72.6	173.9	0	0	0	112.4	K165 V169 K171 D175 A176 L177 V195 M198 V221 W242 W269	K165-L173 HydrophobicContact CD-CD1 3.89Å; V169-L173 HydrophobicContact CG1-CD1 4.02Å; V169-L173 HydrophobicContact CG1-CG 4.38Å; V169-L173 WeakPolarHBondContact O-CB 3.36Å; V169-L173 WeakPolarHBondContact O-CG 3.33Å; V169-L173 PolarHBondContact O-N 2.67Å; K171-L173 VanDerWaalsContact C-N 3.28Å; K171-L173 PolarHBondContact O-N 3.34Å; L173-D175 VanDerWaalsContact C-N 3.3Å; L173-D175 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 2.67Å; L173-A176 VanDerWaalsContact O-N 3.15Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 2.92Å; L173-V195 HydrophobicContact CB-CG1 4.05Å; L173-V195 HydrophobicContact CB-CG2 3.87Å; L173-V195 HydrophobicContact CD1-CG1 4.15Å; L173-M198 HydrophobicContact CD1-SD 4.32Å; L173-M198 HydrophobicContact CD2-SD 3.94Å; L173-V221 HydrophobicContact CD2-CB 3.99Å; L173-V221 HydrophobicContact CD2-CG1 3.92Å; L173-V221 HydrophobicContact CD2-CG2 4.27Å; L173-W242 HydrophobicContact CD2-CZ3 4.05Å; L173-W242 HydrophobicContact CG-CZ3 4.24Å; L173-W269 HydrophobicContact CD1-CB 4.48Å; L173-W269 HydrophobicContact CD1-CD2 4.02Å; L173-W269 HydrophobicContact CD1-CE3 4.49Å; L173-W269 HydrophobicContact CD1-CG 3.97Å; L173-W269 HydrophobicContact CD2-CB 3.77Å; L173-W269 HydrophobicContact CD2-CG 3.7Å; L173-W269 HydrophobicContact CG-CG 4.36Å
174	T	94.9	Very high	91.5	Very high	30 Å²	30	60 Å²	60	18%	0.184	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-45.5	174.7	-57.6	0	0	0	0	111	K170 K171 A176 L177 N178 I191	K170-T174 WeakPolarHBondContact O-CB 3.27Å; K170-T174 PolarHBondContact O-N 2.87Å; K170-T174 PolarHBondContact O-OG1 2.8Å; K171-T174 WeakPolarHBondContact O-CA 3.37Å; K171-T174 WeakPolarHBondContact O-CB 3.49Å; K171-T174 PolarHBondContact O-N 3.2Å; T174-A176 PolarHBondContact O-N 2.97Å; T174-L177 PolarHBondContact O-N 3.31Å; T174-N178 WeakPolarHBondContact O-CB 3.38Å; T174-N178 VanDerWaalsContact O-CG 3.31Å; T174-N178 PolarHBondContact O-N 3.22Å; T174-N178 PolarHBondContact O-ND2 3.21Å; T174-I191 HydrophobicContact CG2-CG2 4.07Å
175	D	93.7	Very high	91.3	Very high	62 Å²	62	59 Å²	59	33%	0.332	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-34.3	177.6	-66.9	-20.5	0	0	0	112.3	K171 L173 K179	K171-D175 PolarHBondContact O-N 3.24Å; L173-D175 VanDerWaalsContact C-N 3.3Å; L173-D175 PolarHBondContact O-N 2.93Å; D175-K179 VanDerWaalsContact O-CD 3.31Å; D175-K179 WeakPolarHBondContact O-CD 3.48Å; D175-K179 WeakPolarHBondContact O-CE 3.4Å; D175-K179 VanDerWaalsContact O-CG 3.23Å; D175-K179 WeakPolarHBondContact O-CG 3.41Å; D175-K179 PolarHBondContact O-N 3.22Å
176	A	94.6	Very high	91	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-43.3	176.1	0	0	0	0	0	112.7	L172 L173 T174 K179 V221 W242	L172-A176 WeakPolarHBondContact O-CB 3.5Å; L172-A176 PolarHBondContact O-N 2.85Å; L173-A176 PolarHBondContact O-N 2.67Å; L173-A176 VanDerWaalsContact O-N 3.15Å; T174-A176 PolarHBondContact O-N 2.97Å; A176-K179 PolarHBondContact O-N 2.77Å; A176-V221 HydrophobicContact CB-CG1 3.61Å; A176-V221 HydrophobicContact CB-CG2 4.35Å; A176-W242 HydrophobicContact CB-CB 4.33Å; A176-W242 VanDerWaalsContact CB-O 3.25Å; A176-W242 WeakPolarHBondContact CB-O 3.28Å
177	L	93.9	Very high	90.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67	-41.1	177.4	-61.2	168	0	0	0	110.8	L173 T174 K179 N180 L183 I191 M194 V195 L219 V221	L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.36Å; L173-L177 PolarHBondContact O-N 2.92Å; T174-L177 PolarHBondContact O-N 3.31Å; L177-K179 PolarHBondContact O-N 2.74Å; L177-N180 WeakPolarHBondContact O-CB 3.37Å; L177-N180 PolarHBondContact O-N 2.85Å; L177-N180 VanDerWaalsContact O-N 3.12Å; L177-L183 HydrophobicContact CD2-CD1 3.67Å; L177-I191 HydrophobicContact CB-CD1 4.28Å; L177-I191 HydrophobicContact CB-CG2 4.36Å; L177-I191 HydrophobicContact CD1-CG2 4.1Å; L177-M194 HydrophobicContact CD1-CB 4.49Å; L177-M194 HydrophobicContact CD1-CE 4.43Å; L177-M194 HydrophobicContact CD2-CE 4.11Å; L177-V195 HydrophobicContact CD1-CG2 3.57Å; L177-L219 HydrophobicContact CD2-CD2 4Å; L177-V221 HydrophobicContact CD2-CG2 4.13Å
178	N	92.8	Very high	90.3	Very high	68 Å²	68	57 Å²	57	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-69.4	-14.4	177.2	-74.3	-28.8	0	0	0	114.6	T174 K184	T174-N178 WeakPolarHBondContact O-CB 3.38Å; T174-N178 VanDerWaalsContact O-CG 3.31Å; T174-N178 PolarHBondContact O-N 3.22Å; T174-N178 PolarHBondContact O-ND2 3.21Å; N178-K184 WeakPolarHBondContact O-CB 3.48Å
179	K	91.1	Very high	89.9	Confident	141 Å²	141	57.5 Å²	57.5	61%	0.613	27%	0.271	S	S	*	.	H	α-helix	trans	-79.9	-27	170.1	-73.9	161.4	-168.9	167.9	0	112.7	D175 A176 L177	D175-K179 VanDerWaalsContact O-CD 3.31Å; D175-K179 WeakPolarHBondContact O-CD 3.48Å; D175-K179 WeakPolarHBondContact O-CE 3.4Å; D175-K179 VanDerWaalsContact O-CG 3.23Å; D175-K179 WeakPolarHBondContact O-CG 3.41Å; D175-K179 PolarHBondContact O-N 3.22Å; A176-K179 PolarHBondContact O-N 2.77Å; L177-K179 PolarHBondContact O-N 2.74Å
180	N	89.7	Confident	89.7	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.08	27%	0.265	C	S	.	.	S	Bend	trans	-68.1	138.5	-177.4	-178.5	-80.4	0	0	0	111.7	L177 Y182 L183 K184 A244 E247	L177-N180 WeakPolarHBondContact O-CB 3.37Å; L177-N180 PolarHBondContact O-N 2.85Å; L177-N180 VanDerWaalsContact O-N 3.12Å; N180-Y182 VanDerWaalsContact C-N 3.26Å; N180-Y182 PolarHBondContact O-N 3.29Å; N180-Y182 WeakPolarHBondContact OD1-CB 3.23Å; N180-Y182 PolarHBondContact OD1-N 3.15Å; N180-L183 HydrophobicContact CB-CB 4.13Å; N180-L183 HydrophobicContact CB-CD1 4.11Å; N180-L183 HydrophobicContact CB-CG 4.27Å; N180-L183 PolarHBondContact OD1-N 2.97Å; N180-L183 VanDerWaalsContact OD1-N 3.13Å; N180-K184 WeakPolarHBondContact O-CB 3.47Å; N180-K184 WeakPolarHBondContact O-CD 3.22Å; N180-K184 WeakPolarHBondContact O-CG 3.35Å; N180-K184 PolarHBondContact O-N 3.01Å; N180-A244 HydrophobicContact CB-CB 4.29Å; N180-E247 PolarHBondContact ND2-OE1 2.74Å
181	Q	83.3	Confident	89.6	Confident	116 Å²	116	54.2 Å²	54.2	54%	0.542	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.6	-172.2	-60.7	-162.7	33.9	0	0	114.6	R185	Q181-R185 PolarHBondContact O-NE 3.43Å
182	Y	84.6	Confident	89.4	Confident	5 Å²	5	52.4 Å²	52.4	2%	0.02	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-57.1	176.8	168	-109.6	0	0	0	111.1	N180 K184 R185 L251 F276 I635 L636 L676	N180-Y182 VanDerWaalsContact C-N 3.26Å; N180-Y182 PolarHBondContact O-N 3.29Å; N180-Y182 WeakPolarHBondContact OD1-CB 3.23Å; N180-Y182 PolarHBondContact OD1-N 3.15Å; Y182-K184 VanDerWaalsContact C-N 3.28Å; Y182-K184 PolarHBondContact O-N 2.84Å; Y182-R185 WeakPolarHBondContact O-CB 3.23Å; Y182-R185 WeakPolarHBondContact O-CG 3.27Å; Y182-R185 PolarHBondContact O-N 3.42Å; Y182-R185 VanDerWaalsContact O-N 3.12Å; Y182-L251 HydrophobicContact CE1-CD2 3.69Å; Y182-L251 HydrophobicContact CE2-CD2 4.41Å; Y182-L251 VanDerWaalsContact OH-CD2 3.32Å; Y182-L251 WeakPolarHBondContact OH-CD2 3.44Å; Y182-F276 HydrophobicContact CE1-CZ 4.06Å; Y182-I635 HydrophobicContact CD2-CG2 4.23Å; Y182-I635 HydrophobicContact CE2-CG2 3.92Å; Y182-I635 WeakPolarHBondContact CE2-O 3.25Å; Y182-I635 VanDerWaalsContact CZ-O 3.29Å; Y182-I635 PolarHBondContact OH-O 3.08Å; Y182-L636 HydrophobicContact CE2-CD2 4.3Å; Y182-L676 HydrophobicContact CD2-CD1 4.37Å
183	L	87.9	Confident	89.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-63.6	-30.5	-168.8	-60	171.1	0	0	0	113.5	L177 N180 R185 L186 M194 L219 A244 I250 F276	L177-L183 HydrophobicContact CD2-CD1 3.67Å; N180-L183 HydrophobicContact CB-CB 4.13Å; N180-L183 HydrophobicContact CB-CD1 4.11Å; N180-L183 HydrophobicContact CB-CG 4.27Å; N180-L183 PolarHBondContact OD1-N 2.97Å; N180-L183 VanDerWaalsContact OD1-N 3.13Å; L183-R185 PolarHBondContact O-N 3.38Å; L183-L186 HydrophobicContact CB-CD1 4.45Å; L183-L186 HydrophobicContact CD2-CD1 3.74Å; L183-L186 WeakPolarHBondContact O-CB 3.37Å; L183-L186 WeakPolarHBondContact O-CG 3.45Å; L183-L186 PolarHBondContact O-N 3.31Å; L183-M194 HydrophobicContact CD1-CE 4.45Å; L183-M194 HydrophobicContact CD2-CE 4.02Å; L183-L219 HydrophobicContact CD1-CD1 4.24Å; L183-L219 HydrophobicContact CD1-CD2 3.75Å; L183-A244 HydrophobicContact CD1-CB 4.49Å; L183-I250 HydrophobicContact CD2-CD1 4.26Å; L183-F276 HydrophobicContact CD2-CE2 4.2Å
184	K	87.1	Confident	89.1	Confident	115 Å²	115	50.3 Å²	50.3	50%	0.5	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-62.6	0.6	175.1	77.8	-175.7	-175.6	177.3	0	115.9	N178 N180 Y182	N178-K184 WeakPolarHBondContact O-CB 3.48Å; N180-K184 WeakPolarHBondContact O-CB 3.47Å; N180-K184 WeakPolarHBondContact O-CD 3.22Å; N180-K184 WeakPolarHBondContact O-CG 3.35Å; N180-K184 PolarHBondContact O-N 3.01Å; Y182-K184 VanDerWaalsContact C-N 3.28Å; Y182-K184 PolarHBondContact O-N 2.84Å
185	R	84.7	Confident	89	Confident	103 Å²	103	49 Å²	49	39%	0.389	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-104.3	-2.5	177.8	-56.9	171.2	178.6	-98.2	9.3	112.7	Q181 Y182 L183 L636	Q181-R185 PolarHBondContact O-NE 3.43Å; Y182-R185 WeakPolarHBondContact O-CB 3.23Å; Y182-R185 WeakPolarHBondContact O-CG 3.27Å; Y182-R185 PolarHBondContact O-N 3.42Å; Y182-R185 VanDerWaalsContact O-N 3.12Å; L183-R185 PolarHBondContact O-N 3.38Å; R185-L636 HydrophobicContact CB-CD2 3.83Å
186	L	84.6	Confident	89	Confident	18 Å²	18	48.1 Å²	48.1	9%	0.094	22%	0.222	C	C	.	.	S	Bend	trans	-82.8	160.2	175.7	-57.7	176.2	0	0	0	110.2	L183 Q190 I191 M194 F276 M280	L183-L186 HydrophobicContact CB-CD1 4.45Å; L183-L186 HydrophobicContact CD2-CD1 3.74Å; L183-L186 WeakPolarHBondContact O-CB 3.37Å; L183-L186 WeakPolarHBondContact O-CG 3.45Å; L183-L186 PolarHBondContact O-N 3.31Å; L186-Q190 HydrophobicContact CB-CB 4.39Å; L186-I191 HydrophobicContact CB-CD1 4.04Å; L186-I191 HydrophobicContact CB-CG1 4.31Å; L186-I191 HydrophobicContact CD1-CD1 4.15Å; L186-M194 HydrophobicContact CD1-SD 3.98Å; L186-F276 HydrophobicContact CD1-CE2 3.98Å; L186-M280 HydrophobicContact CD1-CE 4.01Å; L186-M280 HydrophobicContact CD1-SD 4.23Å; L186-M280 HydrophobicContact CD2-SD 4Å
187	E	82.4	Confident	88.9	Confident	57 Å²	57	48.2 Å²	48.2	27%	0.266	22%	0.223	S	C	.	.			trans	-69.9	148.5	179.8	-60.5	-177.1	161.4	0	0	111.2	Q189 Q190 I191 R287	E187-Q189 PolarHBondContact O-N 3.43Å; E187-Q189 VanDerWaalsContact O-N 3.1Å; E187-Q190 HydrophobicContact CB-CB 4.46Å; E187-Q190 HydrophobicContact CB-CG 4.08Å; E187-Q190 WeakPolarHBondContact O-CA 3.33Å; E187-Q190 WeakPolarHBondContact O-CB 3.23Å; E187-Q190 PolarHBondContact O-N 2.91Å; E187-I191 PolarHBondContact O-N 3.04Å; E187-R287 IonicContact OE1-CZ 3.72Å; E187-R287 IonicContact OE1-NH1 3.9Å; E187-R287 PolarHBondContact OE1-NH1 2.85Å
188	L	85.2	Confident	89	Confident	110 Å²	110	48.2 Å²	48.2	58%	0.576	22%	0.223	S	C	*	.	H	α-helix	trans	-56	-34	-178.1	-180	62.1	0	0	0	112.9	K192	L188-K192 WeakPolarHBondContact O-CG 3.24Å; L188-K192 PolarHBondContact O-N 3.4Å
189	Q	85.3	Confident	89.1	Confident	85 Å²	85	48.3 Å²	48.3	40%	0.397	22%	0.218	S	C	.	.	H	α-helix	trans	-71.1	-38.6	176.2	-173.2	53.9	36.7	0	0	112.2	E187 I191 K192 D193	E187-Q189 PolarHBondContact O-N 3.43Å; E187-Q189 VanDerWaalsContact O-N 3.1Å; Q189-I191 VanDerWaalsContact C-N 3.33Å; Q189-I191 PolarHBondContact O-N 2.82Å; Q189-K192 PolarHBondContact O-N 3.37Å; Q189-D193 PolarHBondContact NE2-OD1 3Å; Q189-D193 PolarHBondContact NE2-OD2 3.23Å; Q189-D193 WeakPolarHBondContact O-CB 3.38Å; Q189-D193 PolarHBondContact O-N 3.46Å
190	Q	89.4	Confident	89.3	Confident	12 Å²	12	45.7 Å²	45.7	6%	0.056	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-42.5	174.1	-66.9	173.8	-32.3	0	0	111.1	L186 E187 D193 M194 I279 M280 T283	L186-Q190 HydrophobicContact CB-CB 4.39Å; E187-Q190 HydrophobicContact CB-CB 4.46Å; E187-Q190 HydrophobicContact CB-CG 4.08Å; E187-Q190 WeakPolarHBondContact O-CA 3.33Å; E187-Q190 WeakPolarHBondContact O-CB 3.23Å; E187-Q190 PolarHBondContact O-N 2.91Å; Q190-D193 PolarHBondContact O-N 3.36Å; Q190-M194 WeakPolarHBondContact O-CB 3.14Å; Q190-M194 VanDerWaalsContact O-CG 3.27Å; Q190-M194 WeakPolarHBondContact O-CG 3.43Å; Q190-M194 PolarHBondContact O-N 2.73Å; Q190-I279 HydrophobicContact CB-CG2 4.26Å; Q190-I279 HydrophobicContact CG-CG2 4.45Å; Q190-M280 HydrophobicContact CB-CE 3.97Å; Q190-M280 HydrophobicContact CB-SD 4.05Å; Q190-M280 VanDerWaalsContact CD-SD 3.52Å; Q190-M280 HydrophobicContact CG-CE 4.45Å; Q190-M280 HydrophobicContact CG-SD 3.98Å; Q190-T283 HydrophobicContact CG-CG2 4Å
191	I	91.5	Very high	89.6	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-44.8	174.8	-63.3	-60.2	0	0	0	111.7	T174 L177 L186 E187 Q189 D193 M194 V195	T174-I191 HydrophobicContact CG2-CG2 4.07Å; L177-I191 HydrophobicContact CB-CD1 4.28Å; L177-I191 HydrophobicContact CB-CG2 4.36Å; L177-I191 HydrophobicContact CD1-CG2 4.1Å; L186-I191 HydrophobicContact CB-CD1 4.04Å; L186-I191 HydrophobicContact CB-CG1 4.31Å; L186-I191 HydrophobicContact CD1-CD1 4.15Å; E187-I191 PolarHBondContact O-N 3.04Å; Q189-I191 VanDerWaalsContact C-N 3.33Å; Q189-I191 PolarHBondContact O-N 2.82Å; I191-D193 PolarHBondContact O-N 2.96Å; I191-M194 HydrophobicContact CD1-SD 4.2Å; I191-M194 WeakPolarHBondContact O-CB 3.47Å; I191-M194 PolarHBondContact O-N 2.91Å; I191-V195 WeakPolarHBondContact O-CG2 3.38Å; I191-V195 PolarHBondContact O-N 3.22Å
192	K	90.6	Very high	90.2	Very high	97 Å²	97	43.8 Å²	43.8	42%	0.422	21%	0.209	S	C	.	.	H	α-helix	trans	-57.7	-49.4	174.5	-73.7	168.1	179.3	174.5	0	111.6	L188 Q189 M194 V195 E196	L188-K192 WeakPolarHBondContact O-CG 3.24Å; L188-K192 PolarHBondContact O-N 3.4Å; Q189-K192 PolarHBondContact O-N 3.37Å; K192-M194 VanDerWaalsContact C-N 3.32Å; K192-M194 PolarHBondContact O-N 2.82Å; K192-V195 WeakPolarHBondContact O-CB 3.47Å; K192-V195 PolarHBondContact O-N 3.07Å; K192-V195 VanDerWaalsContact O-N 3.09Å; K192-E196 WeakPolarHBondContact O-CG 3.48Å; K192-E196 PolarHBondContact O-N 2.96Å
193	D	90.6	Very high	90.8	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-32.3	-178.1	-77.1	-37.9	0	0	0	112.6	F158 R162 Q189 Q190 I191 C197 I279	F158-D193 HydrophobicContact CE1-CB 4.38Å; F158-D193 VanDerWaalsContact CE1-OD1 3.3Å; F158-D193 WeakPolarHBondContact CE1-OD1 3.15Å; F158-D193 HydrophobicContact CE2-CB 4.01Å; F158-D193 HydrophobicContact CZ-CB 3.47Å; F158-D193 VanDerWaalsContact CZ-CB 3.47Å; F158-D193 WeakPolarHBondContact CZ-OD1 3.37Å; R162-D193 IonicContact NH2-OD1 2.72Å; Q189-D193 PolarHBondContact NE2-OD1 3Å; Q189-D193 PolarHBondContact NE2-OD2 3.23Å; Q189-D193 WeakPolarHBondContact O-CB 3.38Å; Q189-D193 PolarHBondContact O-N 3.46Å; Q190-D193 PolarHBondContact O-N 3.36Å; I191-D193 PolarHBondContact O-N 2.96Å; D193-C197 PolarHBondContact O-N 3.22Å; D193-C197 PolarHBondContact O-SG 3.01Å; D193-C197 VanDerWaalsContact O-SG 3.35Å; D193-I279 HydrophobicContact CB-CD1 4.42Å; D193-I279 HydrophobicContact CB-CG1 4.26Å; D193-I279 HydrophobicContact CB-CG2 3.96Å
194	M	92.8	Very high	91.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-48.6	167.3	-73.9	173	63.3	0	0	111.4	L177 L183 L186 Q190 I191 K192 E196 C197 M198 L219 L271 F276 I279 M280	L177-M194 HydrophobicContact CD1-CB 4.49Å; L177-M194 HydrophobicContact CD1-CE 4.43Å; L177-M194 HydrophobicContact CD2-CE 4.11Å; L183-M194 HydrophobicContact CD1-CE 4.45Å; L183-M194 HydrophobicContact CD2-CE 4.02Å; L186-M194 HydrophobicContact CD1-SD 3.98Å; Q190-M194 WeakPolarHBondContact O-CB 3.14Å; Q190-M194 VanDerWaalsContact O-CG 3.27Å; Q190-M194 WeakPolarHBondContact O-CG 3.43Å; Q190-M194 PolarHBondContact O-N 2.73Å; I191-M194 HydrophobicContact CD1-SD 4.2Å; I191-M194 WeakPolarHBondContact O-CB 3.47Å; I191-M194 PolarHBondContact O-N 2.91Å; K192-M194 VanDerWaalsContact C-N 3.32Å; K192-M194 PolarHBondContact O-N 2.82Å; M194-E196 VanDerWaalsContact C-N 3.32Å; M194-E196 PolarHBondContact O-N 2.81Å; M194-C197 PolarHBondContact O-N 3.47Å; M194-M198 WeakPolarHBondContact O-CG 3.47Å; M194-M198 PolarHBondContact O-N 2.73Å; M194-L219 HydrophobicContact CE-CD2 3.89Å; M194-L271 HydrophobicContact CB-CD2 4.02Å; M194-L271 HydrophobicContact CE-CD2 3.57Å; M194-L271 HydrophobicContact CG-CD2 3.83Å; M194-L271 HydrophobicContact SD-CD2 4.46Å; M194-F276 HydrophobicContact CE-CD2 4.01Å; M194-F276 HydrophobicContact CE-CE2 4.25Å; M194-F276 HydrophobicContact CG-CD2 4.47Å; M194-F276 HydrophobicContact SD-CD2 3.93Å; M194-F276 HydrophobicContact SD-CE2 4.04Å; M194-I279 HydrophobicContact CB-CD1 4.43Å; M194-I279 HydrophobicContact CG-CD1 3.93Å; M194-M280 HydrophobicContact CG-CE 4.05Å; M194-M280 HydrophobicContact SD-CE 3.69Å
195	V	94.1	Very high	91.7	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.012	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-37.6	179	170.9	0	0	0	0	112	K165 K170 L173 L177 I191 K192 C197	K165-V195 WeakPolarHBondContact CE-O 3.42Å; K165-V195 PolarHBondContact NZ-O 3.08Å; K170-V195 HydrophobicContact CB-CG1 3.95Å; K170-V195 HydrophobicContact CG-CG1 3.94Å; L173-V195 HydrophobicContact CB-CG1 4.05Å; L173-V195 HydrophobicContact CB-CG2 3.87Å; L173-V195 HydrophobicContact CD1-CG1 4.15Å; L177-V195 HydrophobicContact CD1-CG2 3.57Å; I191-V195 WeakPolarHBondContact O-CG2 3.38Å; I191-V195 PolarHBondContact O-N 3.22Å; K192-V195 WeakPolarHBondContact O-CB 3.47Å; K192-V195 PolarHBondContact O-N 3.07Å; K192-V195 VanDerWaalsContact O-N 3.09Å; V195-C197 VanDerWaalsContact C-N 3.32Å; V195-C197 PolarHBondContact O-N 3.13Å
196	E	92.6	Very high	92.1	Very high	44 Å²	44	48.6 Å²	48.6	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-36.1	172.9	-63.8	-59.2	157.2	0	0	112.1	R162 V163 K165 K170 K192 M194	R162-E196 HydrophobicContact CG-CB 4.12Å; V163-E196 PolarHBondContact N-O 3.43Å; K165-E196 PolarHBondContact NZ-O 2.98Å; K170-E196 WeakPolarHBondContact CE-OE1 3.49Å; K170-E196 WeakPolarHBondContact CE-OE2 3.47Å; K170-E196 IonicContact NZ-OE1 2.66Å; K170-E196 PolarHBondContact NZ-OE1 3.27Å; K170-E196 IonicContact NZ-OE2 2.75Å; K170-E196 PolarHBondContact NZ-OE2 2.55Å; K192-E196 WeakPolarHBondContact O-CG 3.48Å; K192-E196 PolarHBondContact O-N 2.96Å; M194-E196 VanDerWaalsContact C-N 3.32Å; M194-E196 PolarHBondContact O-N 2.81Å
197	C	93.8	Very high	92.6	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-83.8	-14.7	-178.9	-66.4	0	0	0	0	115.9	F158 A161 D193 M194 V195 L271 A275 I279	F158-C197 WeakPolarHBondContact CE2-SG 3.2Å; A161-C197 WeakPolarHBondContact O-CA 3.29Å; D193-C197 PolarHBondContact O-N 3.22Å; D193-C197 PolarHBondContact O-SG 3.01Å; D193-C197 VanDerWaalsContact O-SG 3.35Å; M194-C197 PolarHBondContact O-N 3.47Å; V195-C197 VanDerWaalsContact C-N 3.32Å; V195-C197 PolarHBondContact O-N 3.13Å; C197-L271 HydrophobicContact CB-CD1 3.73Å; C197-A275 HydrophobicContact CB-CB 4.43Å; C197-I279 HydrophobicContact CB-CD1 4.47Å
198	M	95.4	Very high	93.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.			trans	-65	144.4	-179.3	-53.4	-162	77	0	0	112.1	V163 K165 L173 M194 V221 W269 A270 L271	V163-M198 WeakPolarHBondContact CB-O 3.23Å; K165-M198 WeakPolarHBondContact CE-O 3.44Å; K165-M198 PolarHBondContact NZ-O 3.39Å; L173-M198 HydrophobicContact CD1-SD 4.32Å; L173-M198 HydrophobicContact CD2-SD 3.94Å; M194-M198 WeakPolarHBondContact O-CG 3.47Å; M194-M198 PolarHBondContact O-N 2.73Å; M198-V221 HydrophobicContact CE-CB 4.48Å; M198-V221 HydrophobicContact CE-CG2 4.02Å; M198-V221 HydrophobicContact SD-CG2 4.43Å; M198-W269 HydrophobicContact CB-CB 4.15Å; M198-W269 HydrophobicContact CB-CE3 4.16Å; M198-W269 HydrophobicContact CE-CB 3.81Å; M198-W269 VanDerWaalsContact CE-O 3.24Å; M198-W269 WeakPolarHBondContact CE-O 3.23Å; M198-W269 HydrophobicContact SD-CB 4.12Å; M198-A270 CarbonylContact C-O 3.5Å; M198-A270 WeakPolarHBondContact CA-O 3.04Å; M198-A270 WeakPolarHBondContact CB-O 3.21Å; M198-L271 HydrophobicContact CE-CB 4.02Å; M198-L271 HydrophobicContact CG-CB 4.26Å; M198-L271 HydrophobicContact CG-CD1 4.46Å
199	Y	94.7	Very high	93.6	Very high	70 Å²	70	49.8 Å²	49.8	28%	0.275	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	155.5	175.5	59.2	-86.5	0	0	0	111.7	C201 H218 W269 A270 D272	Y199-C201 VanDerWaalsContact CE2-SG 3.54Å; Y199-H218 PolarHBondContact OH-CD2 3.19Å; Y199-H218 PolarHBondContact OH-NE2 2.84Å; Y199-W269 VanDerWaalsContact C-CE3 3.41Å; Y199-W269 CarbonylContact O-C 3.57Å; Y199-W269 VanDerWaalsContact O-CA 3.3Å; Y199-W269 WeakPolarHBondContact O-CA 3.45Å; Y199-A270 HydrophobicContact CD1-CB 4.47Å; Y199-A270 HydrophobicContact CD2-CB 4.22Å; Y199-A270 HydrophobicContact CE1-CB 4.01Å; Y199-A270 HydrophobicContact CE2-CB 3.75Å; Y199-A270 PolarHBondContact N-O 3.21Å; Y199-A270 PolarHBondContact O-N 2.94Å; Y199-D272 PolarHBondContact OH-OD1 3.48Å
200	E	95.4	Very high	94	Very high	85 Å²	85	46.2 Å²	46.2	40%	0.397	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.4	-177.2	-172.9	169.4	-167.4	0	0	111.8	R267 T268 W269	E200-R267 WeakPolarHBondContact OE1-CD 3.46Å; E200-R267 IonicContact OE1-CZ 2.82Å; E200-R267 IonicContact OE1-NE 3.81Å; E200-R267 IonicContact OE1-NH1 2.74Å; E200-R267 PolarHBondContact OE1-NH1 2.93Å; E200-T268 CarbonylContact C-O 3.51Å; E200-T268 WeakPolarHBondContact CA-O 3.19Å; E200-W269 HydrophobicContact CB-CD2 4.44Å; E200-W269 HydrophobicContact CB-CE3 4.17Å; E200-W269 HydrophobicContact CB-CH2 3.95Å; E200-W269 HydrophobicContact CB-CZ2 4.24Å; E200-W269 HydrophobicContact CB-CZ3 3.9Å
201	C	95.8	Very high	94.1	Very high	25 Å²	25	48 Å²	48	17%	0.169	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	145.1	169.8	-64	0	0	0	0	109.7	Y199 Y203 R267 T268	Y199-C201 VanDerWaalsContact CE2-SG 3.54Å; C201-Y203 HydrophobicContact CB-CE2 3.62Å; C201-R267 CarbonylContact O-C 3.59Å; C201-R267 WeakPolarHBondContact O-CA 3.43Å; C201-T268 PolarHBondContact N-O 2.9Å; C201-T268 PolarHBondContact O-N 3.31Å
202	S	95.9	Very high	94.1	Very high	67 Å²	67	51.2 Å²	51.2	47%	0.469	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.9	174.8	-74.2	0	0	0	0	110.6	V266	S202-V266 WeakPolarHBondContact CA-O 3.2Å
203	Y	96.6	Very high	93.8	Very high	39 Å²	39	49 Å²	49	15%	0.153	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	-178.6	-59.2	-90.2	0	0	0	110.6	C201 E207 V209 K265 V266 T268	C201-Y203 HydrophobicContact CB-CE2 3.62Å; Y203-E207 VanDerWaalsContact CA-OE2 3.29Å; Y203-E207 WeakPolarHBondContact CA-OE2 3.43Å; Y203-V209 HydrophobicContact CD1-CG2 4.06Å; Y203-V209 HydrophobicContact CD2-CG2 3.73Å; Y203-V209 HydrophobicContact CE1-CB 4.41Å; Y203-V209 HydrophobicContact CE1-CG2 4.15Å; Y203-V209 HydrophobicContact CE2-CB 4.39Å; Y203-V209 HydrophobicContact CE2-CG1 3.96Å; Y203-V209 HydrophobicContact CE2-CG2 3.83Å; Y203-V209 HydrophobicContact CG-CG2 3.85Å; Y203-K265 WeakPolarHBondContact O-CA 3.47Å; Y203-V266 HydrophobicContact CD2-CG1 4.44Å; Y203-V266 PolarHBondContact N-O 3.32Å; Y203-V266 PolarHBondContact O-N 3.38Å; Y203-T268 HydrophobicContact CE2-CG2 4.39Å
204	Q	97.3	Very high	93.5	Very high	99 Å²	99	53 Å²	53	46%	0.463	28%	0.278	S	S	.	.			trans	-87.2	166.1	175.2	-50.6	-55	-26.5	0	0	111.8	G206 E207 A262	Q204-G206 PolarHBondContact O-N 3.05Å; Q204-E207 HydrophobicContact CB-CG 4.2Å; Q204-E207 PolarHBondContact N-OE2 3.19Å; Q204-E207 WeakPolarHBondContact O-CB 3.38Å; Q204-E207 PolarHBondContact O-N 3.12Å; Q204-A262 WeakPolarHBondContact O-CB 3.5Å
205	Q	96.1	Very high	92.9	Very high	150 Å²	150	57 Å²	57	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	128.3	175.5	177.1	169.8	47.9	0	0	111.5	V263	Q205-V263 WeakPolarHBondContact CG-O 3.41Å; Q205-V263 PolarHBondContact NE2-O 3.47Å
206	G	93.3	Very high	92.3	Very high	36 Å²	36	57 Å²	57	37%	0.371	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-16.3	179.8	0	0	0	0	0	114.9	Q204 R261 A262	Q204-G206 PolarHBondContact O-N 3.05Å; G206-R261 WeakPolarHBondContact O-CG 3.39Å; G206-A262 PolarHBondContact N-O 3.02Å
207	E	96.4	Very high	92	Very high	87 Å²	87	58.1 Å²	58.1	41%	0.407	31%	0.311	S	S	.	.			trans	-70.6	154.4	178.2	-66.5	-179.9	170.1	0	0	112.3	Y203 Q204 R261 A262	Y203-E207 VanDerWaalsContact CA-OE2 3.29Å; Y203-E207 WeakPolarHBondContact CA-OE2 3.43Å; Q204-E207 HydrophobicContact CB-CG 4.2Å; Q204-E207 PolarHBondContact N-OE2 3.19Å; Q204-E207 WeakPolarHBondContact O-CB 3.38Å; Q204-E207 PolarHBondContact O-N 3.12Å; E207-R261 CarbonylContact O-C 3.59Å; E207-R261 WeakPolarHBondContact O-CA 3.43Å; E207-R261 WeakPolarHBondContact O-CG 3.42Å; E207-A262 PolarHBondContact O-N 2.94Å
208	Y	93.7	Very high	91.8	Very high	110 Å²	110	60 Å²	60	43%	0.431	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.3	178.7	-72.4	-92.8	0	0	0	110.5	V260 R261	Y208-V260 CarbonylContact C-O 3.53Å; Y208-V260 WeakPolarHBondContact CA-O 3.2Å; Y208-R261 HydrophobicContact CD1-CB 3.89Å; Y208-R261 HydrophobicContact CD1-CG 4.17Å; Y208-R261 HydrophobicContact CD2-CG 4.33Å; Y208-R261 HydrophobicContact CE1-CB 3.77Å; Y208-R261 HydrophobicContact CE1-CG 3.99Å; Y208-R261 HydrophobicContact CE2-CG 4.13Å; Y208-R261 HydrophobicContact CG-CB 4.49Å; Y208-R261 HydrophobicContact CG-CG 4.35Å
209	V	94.6	Very high	91.8	Very high	13 Å²	13	60 Å²	60	8%	0.079	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-29	169.5	-174.2	0	0	0	0	110.3	Y203 F220 L227 F245 V260	Y203-V209 HydrophobicContact CD1-CG2 4.06Å; Y203-V209 HydrophobicContact CD2-CG2 3.73Å; Y203-V209 HydrophobicContact CE1-CB 4.41Å; Y203-V209 HydrophobicContact CE1-CG2 4.15Å; Y203-V209 HydrophobicContact CE2-CB 4.39Å; Y203-V209 HydrophobicContact CE2-CG1 3.96Å; Y203-V209 HydrophobicContact CE2-CG2 3.83Å; Y203-V209 HydrophobicContact CG-CG2 3.85Å; V209-F220 HydrophobicContact CG1-CD1 4.13Å; V209-F220 HydrophobicContact CG1-CD2 4.01Å; V209-F220 HydrophobicContact CG1-CE1 4Å; V209-F220 HydrophobicContact CG1-CE2 3.88Å; V209-F220 HydrophobicContact CG1-CG 4.12Å; V209-F220 HydrophobicContact CG1-CZ 3.87Å; V209-L227 HydrophobicContact CG2-CD1 4.39Å; V209-L227 HydrophobicContact CG2-CD2 3.62Å; V209-F245 HydrophobicContact CG1-CE2 4.14Å; V209-F245 HydrophobicContact CG1-CZ 4.08Å; V209-V260 PolarHBondContact N-O 3.39Å
210	I	94	Very high	91.8	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.051	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.4	177.4	-63.7	-179.2	0	0	0	107.8	F220 F245 R256 A258 S259 V260	I210-F220 HydrophobicContact CD1-CD2 4.14Å; I210-F220 HydrophobicContact CD1-CE2 4.18Å; I210-F220 HydrophobicContact CG1-CD2 4.3Å; I210-F220 HydrophobicContact CG1-CE2 3.9Å; I210-F245 HydrophobicContact CD1-CD2 3.92Å; I210-F245 HydrophobicContact CD1-CE2 3.92Å; I210-F245 HydrophobicContact CG1-CE2 4.5Å; I210-R256 HydrophobicContact CG2-CB 3.71Å; I210-R256 VanDerWaalsContact CG2-CD 3.48Å; I210-R256 HydrophobicContact CG2-CG 3.59Å; I210-A258 VanDerWaalsContact CG2-O 3.3Å; I210-A258 WeakPolarHBondContact CG2-O 3.44Å; I210-S259 CarbonylContact O-C 3.53Å; I210-S259 WeakPolarHBondContact O-CA 3.45Å; I210-V260 HydrophobicContact CB-CB 3.98Å; I210-V260 HydrophobicContact CB-CG2 4Å; I210-V260 HydrophobicContact CD1-CG2 4.02Å; I210-V260 HydrophobicContact CG1-CB 4.38Å; I210-V260 HydrophobicContact CG1-CG2 4.35Å; I210-V260 PolarHBondContact N-O 3.19Å; I210-V260 PolarHBondContact O-N 2.96Å
211	T	91.5	Very high	91.9	Very high	49 Å²	49	52.9 Å²	52.9	30%	0.301	29%	0.289	S	S	.	.			trans	-107.9	136.5	169.9	-33.6	0	0	0	0	110.1	E214 R256	T211-E214 WeakPolarHBondContact CB-OE2 3.3Å; T211-E214 VanDerWaalsContact OG1-CD 3.31Å; T211-E214 PolarHBondContact OG1-OE2 3.2Å; T211-R256 WeakPolarHBondContact O-CB 3.37Å
212	Q	90.6	Very high	91.9	Very high	68 Å²	68	51.7 Å²	51.7	32%	0.318	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	135.5	173.6	-175.2	175.9	-4.3	0	0	110.8	R256 T257 S259	Q212-R256 CarbonylContact C-O 3.58Å; Q212-R256 WeakPolarHBondContact CA-O 3.32Å; Q212-T257 PolarHBondContact NE2-O 3.36Å; Q212-S259 WeakPolarHBondContact CB-OG 3.34Å; Q212-S259 PolarHBondContact N-OG 3.14Å
213	G	84.6	Confident	91.9	Very high	50 Å²	50	49 Å²	49	52%	0.515	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-26.6	178	0	0	0	0	0	114.8	R256	G213-R256 PolarHBondContact N-O 3.39Å
214	E	84.9	Confident	91.9	Very high	105 Å²	105	50.6 Å²	50.6	49%	0.491	27%	0.274	S	S	.	.	S	Bend	trans	-67.5	151.8	176.9	-70.3	-179.3	161	0	0	112.2	T211 G216 T255 R256	T211-E214 WeakPolarHBondContact CB-OE2 3.3Å; T211-E214 VanDerWaalsContact OG1-CD 3.31Å; T211-E214 PolarHBondContact OG1-OE2 3.2Å; E214-G216 PolarHBondContact O-N 3.24Å; E214-T255 CarbonylContact O-C 3.5Å; E214-T255 WeakPolarHBondContact O-CA 3.45Å; E214-R256 VanDerWaalsContact O-CG 3.32Å; E214-R256 WeakPolarHBondContact O-CG 3.36Å; E214-R256 PolarHBondContact O-N 3.14Å
215	P	80.3	Confident	91.7	Very high	85 Å²	85	46.5 Å²	46.5	55%	0.552	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	124.6	171.2	28.4	-33.8	0	0	0	110.3
216	G	81.1	Confident	91.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.8	176.9	0	0	0	0	0	112.1	E214 A249 C254 R256 R273	E214-G216 PolarHBondContact O-N 3.24Å; G216-A249 WeakPolarHBondContact O-CB 3.23Å; G216-C254 PolarHBondContact N-O 2.82Å; G216-R256 VanDerWaalsContact CA-NE 3.3Å; G216-R273 PolarHBondContact O-NH2 2.7Å
217	N	85.7	Confident	91.8	Very high	69 Å²	69	41.6 Å²	41.6	37%	0.369	23%	0.225	S	C	.	.			trans	-123.8	-3.7	177.1	66.2	-39.4	0	0	0	115.4	R273	N217-R273 WeakPolarHBondContact O-CB 3.35Å; N217-R273 PolarHBondContact O-N 3.44Å
218	H	90.5	Very high	91.8	Very high	43 Å²	43	38.9 Å²	38.9	20%	0.199	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144	-178	-47.6	106.4	0	0	0	113.3	Y199 F220 R256 L271 D272	Y199-H218 PolarHBondContact OH-CD2 3.19Å; Y199-H218 PolarHBondContact OH-NE2 2.84Å; H218-F220 HydrophobicContact CB-CE1 4.24Å; H218-F220 HydrophobicContact CB-CE2 3.98Å; H218-F220 HydrophobicContact CB-CZ 3.79Å; H218-R256 PolarHBondContact O-NH1 2.75Å; H218-R256 PolarHBondContact O-NH2 3.07Å; H218-L271 WeakPolarHBondContact CA-O 3.21Å; H218-D272 IonicContact CD2-OD1 3.63Å; H218-D272 PolarHBondContact CD2-OD1 3.05Å; H218-D272 VanDerWaalsContact CD2-OD1 3.3Å; H218-D272 IonicContact NE2-OD1 3.3Å
219	L	94.1	Very high	91.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	146.1	158	169.2	72.5	0	0	0	108.6	L177 L183 M194 E247 I250 A270 L271	L177-L219 HydrophobicContact CD2-CD2 4Å; L183-L219 HydrophobicContact CD1-CD1 4.24Å; L183-L219 HydrophobicContact CD1-CD2 3.75Å; M194-L219 HydrophobicContact CE-CD2 3.89Å; L219-E247 HydrophobicContact CD1-CB 3.94Å; L219-I250 HydrophobicContact CB-CD1 3.87Å; L219-I250 HydrophobicContact CB-CG1 4.19Å; L219-I250 HydrophobicContact CB-CG2 3.65Å; L219-I250 HydrophobicContact CD2-CD1 3.83Å; L219-I250 HydrophobicContact CG-CD1 4.28Å; L219-A270 CarbonylContact O-C 3.59Å; L219-A270 WeakPolarHBondContact O-CA 3.43Å; L219-L271 HydrophobicContact CB-CB 4.45Å; L219-L271 HydrophobicContact CD2-CD2 4.42Å; L219-L271 PolarHBondContact N-O 3Å; L219-L271 PolarHBondContact O-N 3.35Å
220	F	95.5	Very high	91.8	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.022	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.7	173.9	-60.8	-79	0	0	0	112.6	V209 I210 H218 A244 F245 W269 A270	V209-F220 HydrophobicContact CG1-CD1 4.13Å; V209-F220 HydrophobicContact CG1-CD2 4.01Å; V209-F220 HydrophobicContact CG1-CE1 4Å; V209-F220 HydrophobicContact CG1-CE2 3.88Å; V209-F220 HydrophobicContact CG1-CG 4.12Å; V209-F220 HydrophobicContact CG1-CZ 3.87Å; I210-F220 HydrophobicContact CD1-CD2 4.14Å; I210-F220 HydrophobicContact CD1-CE2 4.18Å; I210-F220 HydrophobicContact CG1-CD2 4.3Å; I210-F220 HydrophobicContact CG1-CE2 3.9Å; H218-F220 HydrophobicContact CB-CE1 4.24Å; H218-F220 HydrophobicContact CB-CE2 3.98Å; H218-F220 HydrophobicContact CB-CZ 3.79Å; F220-A244 CarbonylContact O-C 3.46Å; F220-A244 VanDerWaalsContact O-CA 3.27Å; F220-A244 WeakPolarHBondContact O-CA 3.38Å; F220-F245 HydrophobicContact CB-CD1 4.03Å; F220-F245 HydrophobicContact CB-CD2 4.2Å; F220-F245 HydrophobicContact CB-CE1 3.54Å; F220-F245 HydrophobicContact CB-CE2 3.73Å; F220-F245 HydrophobicContact CB-CG 4.34Å; F220-F245 HydrophobicContact CB-CZ 3.38Å; F220-F245 HydrophobicContact CD2-CD2 4.39Å; F220-F245 AromaticContact CD2-CE2 3.83Å; F220-F245 HydrophobicContact CD2-CE2 3.83Å; F220-F245 HydrophobicContact CD2-CZ 4.22Å; F220-F245 HydrophobicContact CG-CE2 4.08Å; F220-F245 AromaticContact CG-CZ 3.99Å; F220-F245 HydrophobicContact CG-CZ 3.99Å; F220-F245 PolarHBondContact N-O 3.19Å; F220-F245 PolarHBondContact O-N 3.21Å; F220-W269 CarbonylContact C-O 3.55Å; F220-W269 VanDerWaalsContact CA-O 3.26Å; F220-W269 WeakPolarHBondContact CA-O 3.3Å; F220-A270 HydrophobicContact CD1-CB 3.77Å; F220-A270 HydrophobicContact CE1-CB 3.75Å
221	V	96.9	Very high	91.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.6	163.1	176.3	0	0	0	0	108.5	L173 A176 L177 M198 A223 W242 T243 A244 T268 W269	L173-V221 HydrophobicContact CD2-CB 3.99Å; L173-V221 HydrophobicContact CD2-CG1 3.92Å; L173-V221 HydrophobicContact CD2-CG2 4.27Å; A176-V221 HydrophobicContact CB-CG1 3.61Å; A176-V221 HydrophobicContact CB-CG2 4.35Å; L177-V221 HydrophobicContact CD2-CG2 4.13Å; M198-V221 HydrophobicContact CE-CB 4.48Å; M198-V221 HydrophobicContact CE-CG2 4.02Å; M198-V221 HydrophobicContact SD-CG2 4.43Å; V221-A223 PolarHBondContact O-N 3.34Å; V221-W242 HydrophobicContact CG1-CE3 4.17Å; V221-T243 WeakPolarHBondContact CA-O 3.33Å; V221-A244 HydrophobicContact CG2-CB 3.86Å; V221-T268 CarbonylContact O-C 3.52Å; V221-T268 WeakPolarHBondContact O-CA 3.43Å; V221-T268 WeakPolarHBondContact O-CB 3.41Å; V221-W269 HydrophobicContact CB-CB 4.48Å; V221-W269 PolarHBondContact N-O 2.95Å; V221-W269 PolarHBondContact O-N 3.14Å
222	L	96.8	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.4	176.4	-178.4	56.6	0	0	0	110.2	D224 L227 I239 W242 T243 F245 V266 T268	L222-D224 WeakPolarHBondContact CD1-O 3.5Å; L222-L227 HydrophobicContact CD1-CD1 3.86Å; L222-L227 HydrophobicContact CD1-CG 4.05Å; L222-L227 HydrophobicContact CD2-CB 4.48Å; L222-L227 HydrophobicContact CD2-CD1 4.28Å; L222-L227 HydrophobicContact CD2-CG 4.29Å; L222-L227 HydrophobicContact CG-CD1 4.47Å; L222-I239 HydrophobicContact CB-CG2 4.45Å; L222-I239 HydrophobicContact CD2-CB 4.27Å; L222-I239 HydrophobicContact CD2-CG2 4.23Å; L222-I239 WeakPolarHBondContact CD2-O 3.25Å; L222-W242 WeakPolarHBondContact O-CA 3.32Å; L222-W242 PolarHBondContact O-N 3.04Å; L222-T243 PolarHBondContact N-O 3.17Å; L222-T243 VanDerWaalsContact N-O 3.08Å; L222-F245 HydrophobicContact CB-CE1 4.25Å; L222-V266 HydrophobicContact CD1-CG1 3.61Å; L222-T268 HydrophobicContact CD1-CG2 4.19Å
223	A	95.6	Very high	91.1	Very high	11 Å²	11	48.2 Å²	48.2	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-31.4	-178.7	0	0	0	0	0	112.9	V221 V241 W242 R267	V221-A223 PolarHBondContact O-N 3.34Å; A223-V241 VanDerWaalsContact C-CG1 3.43Å; A223-V241 WeakPolarHBondContact O-CG1 3.06Å; A223-W242 HydrophobicContact CB-CH2 4.08Å; A223-W242 HydrophobicContact CB-CZ3 4.39Å; A223-R267 WeakPolarHBondContact CA-O 3.27Å; A223-R267 HydrophobicContact CB-CB 4.49Å; A223-R267 WeakPolarHBondContact CB-O 3.33Å; A223-R267 PolarHBondContact N-O 2.9Å
224	D	95.9	Very high	91.3	Very high	72 Å²	72	52.9 Å²	52.9	39%	0.385	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	152.5	-174.1	-163.3	-1	0	0	0	111	L222 V266 R267	L222-D224 WeakPolarHBondContact CD1-O 3.5Å; D224-V266 WeakPolarHBondContact O-CA 3.14Å; D224-R267 HydrophobicContact CB-CB 3.92Å; D224-R267 HydrophobicContact CB-CG 4.21Å; D224-R267 PolarHBondContact N-O 3.08Å; D224-R267 VanDerWaalsContact N-O 3.11Å; D224-R267 PolarHBondContact O-N 3.2Å; D224-R267 IonicContact OD2-CZ 2.91Å; D224-R267 VanDerWaalsContact OD2-CZ 3.3Å; D224-R267 IonicContact OD2-NE 3.65Å; D224-R267 PolarHBondContact OD2-NE 2.89Å; D224-R267 IonicContact OD2-NH2 2.89Å; D224-R267 PolarHBondContact OD2-NH2 3.5Å
225	G	94.2	Very high	91.7	Very high	14 Å²	14	52.2 Å²	52.2	14%	0.144	27%	0.266	C	S	.	.	S	Bend	trans	78.8	-165.1	-177.2	0	0	0	0	0	115.1	N264	G225-N264 WeakPolarHBondContact CA-OD1 3.34Å
226	K	95.1	Very high	92.1	Very high	83 Å²	83	52.3 Å²	52.3	36%	0.361	26%	0.261	S	S	.	.			trans	-128.6	132.2	-178.2	-177.5	-169.9	172.3	-159.4	0	111.3	E228 V263 N264 V266	K226-E228 WeakPolarHBondContact CE-OE1 3.43Å; K226-E228 IonicContact NZ-OE1 3.48Å; K226-E228 PolarHBondContact NZ-OE1 3.41Å; K226-V263 HydrophobicContact CB-CB 4.24Å; K226-V263 HydrophobicContact CB-CG2 4.47Å; K226-V263 HydrophobicContact CD-CB 4.18Å; K226-V263 HydrophobicContact CD-CG1 4.23Å; K226-V263 HydrophobicContact CD-CG2 4.07Å; K226-V263 HydrophobicContact CG-CB 4.29Å; K226-V263 HydrophobicContact CG-CG2 4.06Å; K226-V263 PolarHBondContact O-N 2.95Å; K226-N264 PolarHBondContact N-OD1 2.93Å; K226-V266 WeakPolarHBondContact O-CG2 3.45Å
227	L	96.9	Very high	92.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.9	172.6	-68	172.6	0	0	0	111.7	V209 L222 S238 I239 F245 V260 R261 A262 V266 T268	V209-L227 HydrophobicContact CG2-CD1 4.39Å; V209-L227 HydrophobicContact CG2-CD2 3.62Å; L222-L227 HydrophobicContact CD1-CD1 3.86Å; L222-L227 HydrophobicContact CD1-CG 4.05Å; L222-L227 HydrophobicContact CD2-CB 4.48Å; L222-L227 HydrophobicContact CD2-CD1 4.28Å; L222-L227 HydrophobicContact CD2-CG 4.29Å; L222-L227 HydrophobicContact CG-CD1 4.47Å; L227-S238 CarbonylContact O-C 3.57Å; L227-S238 WeakPolarHBondContact O-CA 3.2Å; L227-S238 WeakPolarHBondContact O-CB 3.33Å; L227-I239 HydrophobicContact CB-CB 4.09Å; L227-I239 HydrophobicContact CB-CD1 4.26Å; L227-I239 HydrophobicContact CB-CG1 4.18Å; L227-I239 HydrophobicContact CD1-CD1 4.24Å; L227-I239 PolarHBondContact O-N 2.88Å; L227-F245 HydrophobicContact CD1-CE1 3.73Å; L227-F245 HydrophobicContact CD1-CE2 4.21Å; L227-F245 HydrophobicContact CD1-CZ 3.38Å; L227-V260 HydrophobicContact CB-CG1 3.87Å; L227-V260 HydrophobicContact CD1-CG1 3.91Å; L227-V260 HydrophobicContact CD2-CG1 4.13Å; L227-V260 HydrophobicContact CG-CG1 4.2Å; L227-R261 WeakPolarHBondContact CA-O 3.3Å; L227-A262 HydrophobicContact CD2-CB 4.28Å; L227-V266 HydrophobicContact CD1-CG1 4.41Å; L227-V266 HydrophobicContact CD2-CB 4.43Å; L227-V266 HydrophobicContact CD2-CG1 3.98Å; L227-V266 HydrophobicContact CD2-CG2 4.02Å; L227-V266 HydrophobicContact CG-CG1 4.14Å; L227-V266 HydrophobicContact CG-CG2 4.25Å; L227-T268 HydrophobicContact CD1-CG2 4.39Å
228	E	95.9	Very high	93.1	Very high	29 Å²	29	55.6 Å²	55.6	14%	0.136	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.8	173.5	-82.9	167.9	-173.1	0	0	111.1	K226 F230 L235 V260 R261 V263	K226-E228 WeakPolarHBondContact CE-OE1 3.43Å; K226-E228 IonicContact NZ-OE1 3.48Å; K226-E228 PolarHBondContact NZ-OE1 3.41Å; E228-F230 HydrophobicContact CB-CD2 4.39Å; E228-F230 HydrophobicContact CB-CE2 3.46Å; E228-F230 VanDerWaalsContact CB-CE2 3.46Å; E228-F230 HydrophobicContact CB-CZ 3.82Å; E228-F230 WeakPolarHBondContact O-CD2 3.17Å; E228-L235 HydrophobicContact CB-CD1 3.8Å; E228-L235 HydrophobicContact CG-CD1 3.95Å; E228-V260 WeakPolarHBondContact O-CA 3.11Å; E228-R261 PolarHBondContact N-O 2.81Å; E228-R261 PolarHBondContact O-N 3.22Å; E228-R261 IonicContact OE2-NH2 2.85Å; E228-V263 HydrophobicContact CB-CG2 3.94Å; E228-V263 HydrophobicContact CG-CG2 3.52Å
229	V	95.2	Very high	93.2	Very high	19 Å²	19	54.5 Å²	54.5	12%	0.115	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.4	-174.2	-173.1	0	0	0	0	109.8	L236 T237 I239 A258 S259 V260	V229-L236 PolarHBondContact O-N 3.12Å; V229-T237 HydrophobicContact CB-CG2 3.98Å; V229-T237 HydrophobicContact CG2-CG2 3.85Å; V229-T237 PolarHBondContact N-O 3.48Å; V229-I239 HydrophobicContact CG2-CD1 3.94Å; V229-I239 HydrophobicContact CG2-CG1 3.65Å; V229-A258 HydrophobicContact CG1-CB 3.84Å; V229-S259 CarbonylContact C-O 3.59Å; V229-S259 WeakPolarHBondContact CA-O 3.34Å; V229-V260 HydrophobicContact CG1-CG2 4.4Å; V229-V260 HydrophobicContact CG2-CG2 4.25Å
230	F	92.3	Very high	93	Very high	30 Å²	30	59 Å²	59	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.4	-176.6	-60.3	-94.7	0	0	0	111.1	E228 K234 L235 A258 S259 R261	E228-F230 HydrophobicContact CB-CD2 4.39Å; E228-F230 HydrophobicContact CB-CE2 3.46Å; E228-F230 VanDerWaalsContact CB-CE2 3.46Å; E228-F230 HydrophobicContact CB-CZ 3.82Å; E228-F230 WeakPolarHBondContact O-CD2 3.17Å; F230-K234 CarbonylContact C-O 3.53Å; F230-K234 VanDerWaalsContact CA-O 3.3Å; F230-K234 WeakPolarHBondContact CA-O 3.49Å; F230-L235 HydrophobicContact CD1-CB 4.1Å; F230-L235 HydrophobicContact CD1-CD1 4.26Å; F230-L235 HydrophobicContact CE1-CB 3.89Å; F230-L235 HydrophobicContact CE1-CD1 3.8Å; F230-L235 HydrophobicContact CE1-CG 4.41Å; F230-L235 HydrophobicContact CE2-CD1 4.27Å; F230-L235 HydrophobicContact CZ-CD1 3.79Å; F230-A258 CarbonylContact O-C 3.6Å; F230-A258 WeakPolarHBondContact O-CA 3.44Å; F230-A258 WeakPolarHBondContact O-CB 3.45Å; F230-S259 PolarHBondContact N-O 3.1Å; F230-S259 PolarHBondContact O-N 3.29Å; F230-R261 HydrophobicContact CD2-CB 4.35Å; F230-R261 HydrophobicContact CE2-CB 4.06Å
231	Q	90.4	Very high	93	Very high	75 Å²	75	61.8 Å²	61.8	35%	0.35	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.1	171.1	-178.2	175.2	68.8	0	0	109	N233 K234 L236 T257 A258	Q231-N233 PolarHBondContact O-N 3.45Å; Q231-K234 PolarHBondContact N-O 3.47Å; Q231-K234 WeakPolarHBondContact O-CB 3.27Å; Q231-K234 PolarHBondContact O-N 3.36Å; Q231-L236 HydrophobicContact CB-CD1 3.63Å; Q231-L236 HydrophobicContact CB-CD2 4.4Å; Q231-L236 HydrophobicContact CB-CG 4.04Å; Q231-T257 PolarHBondContact NE2-O 3.19Å; Q231-A258 HydrophobicContact CB-CB 4.19Å
232	Q	86	Confident	92.9	Very high	166 Å²	166	64.5 Å²	64.5	78%	0.776	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	43.5	-175	-60.1	176.9	-10.7	0	0	112	K234	Q232-K234 PolarHBondContact O-N 3.28Å
233	N	84.9	Confident	92.7	Very high	156 Å²	156	66.9 Å²	66.9	83%	0.834	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	0.6	-172.9	-62.9	-14.5	0	0	0	116.7	Q231	Q231-N233 PolarHBondContact O-N 3.45Å
234	K	90.2	Very high	92.7	Very high	149 Å²	149	66.8 Å²	66.8	65%	0.648	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.7	170.6	-173	-177	178.3	-176.2	0	110.2	F230 Q231 Q232 L236	F230-K234 CarbonylContact C-O 3.53Å; F230-K234 VanDerWaalsContact CA-O 3.3Å; F230-K234 WeakPolarHBondContact CA-O 3.49Å; Q231-K234 PolarHBondContact N-O 3.47Å; Q231-K234 WeakPolarHBondContact O-CB 3.27Å; Q231-K234 PolarHBondContact O-N 3.36Å; Q232-K234 PolarHBondContact O-N 3.28Å; K234-L236 PolarHBondContact O-N 3.3Å
235	L	91.4	Very high	92.5	Very high	90 Å²	90	64 Å²	64	47%	0.471	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	126.4	168.3	179.4	67.5	0	0	0	109.5	E228 F230	E228-L235 HydrophobicContact CB-CD1 3.8Å; E228-L235 HydrophobicContact CG-CD1 3.95Å; F230-L235 HydrophobicContact CD1-CB 4.1Å; F230-L235 HydrophobicContact CD1-CD1 4.26Å; F230-L235 HydrophobicContact CE1-CB 3.89Å; F230-L235 HydrophobicContact CE1-CD1 3.8Å; F230-L235 HydrophobicContact CE1-CG 4.41Å; F230-L235 HydrophobicContact CE2-CD1 4.27Å; F230-L235 HydrophobicContact CZ-CD1 3.79Å
236	L	90.2	Very high	92.3	Very high	87 Å²	87	64.2 Å²	64.2	46%	0.455	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-49.3	177.4	-63	-174.3	0	0	0	112.1	V229 Q231 K234	V229-L236 PolarHBondContact O-N 3.12Å; Q231-L236 HydrophobicContact CB-CD1 3.63Å; Q231-L236 HydrophobicContact CB-CD2 4.4Å; Q231-L236 HydrophobicContact CB-CG 4.04Å; K234-L236 PolarHBondContact O-N 3.3Å
237	T	92.8	Very high	91.9	Very high	85 Å²	85	62 Å²	62	52%	0.521	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	176.2	-175	-169.5	0	0	0	0	111.2	V229	V229-T237 HydrophobicContact CB-CG2 3.98Å; V229-T237 HydrophobicContact CG2-CG2 3.85Å; V229-T237 PolarHBondContact N-O 3.48Å
238	S	93.5	Very high	91.1	Very high	54 Å²	54	63 Å²	63	38%	0.378	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.6	168.7	60.1	0	0	0	0	111.2	L227	L227-S238 CarbonylContact O-C 3.57Å; L227-S238 WeakPolarHBondContact O-CA 3.2Å; L227-S238 WeakPolarHBondContact O-CB 3.33Å
239	I	93.4	Very high	90.5	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.097	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.7	178.9	-45.5	-176.2	0	0	0	109	L222 L227 V229 T243 F245 V260	L222-I239 HydrophobicContact CB-CG2 4.45Å; L222-I239 HydrophobicContact CD2-CB 4.27Å; L222-I239 HydrophobicContact CD2-CG2 4.23Å; L222-I239 WeakPolarHBondContact CD2-O 3.25Å; L227-I239 HydrophobicContact CB-CB 4.09Å; L227-I239 HydrophobicContact CB-CD1 4.26Å; L227-I239 HydrophobicContact CB-CG1 4.18Å; L227-I239 HydrophobicContact CD1-CD1 4.24Å; L227-I239 PolarHBondContact O-N 2.88Å; V229-I239 HydrophobicContact CG2-CD1 3.94Å; V229-I239 HydrophobicContact CG2-CG1 3.65Å; I239-T243 HydrophobicContact CG2-CG2 3.98Å; I239-F245 HydrophobicContact CD1-CB 3.98Å; I239-F245 HydrophobicContact CD1-CD1 3.79Å; I239-F245 HydrophobicContact CD1-CD2 3.7Å; I239-F245 HydrophobicContact CD1-CE1 4.14Å; I239-F245 HydrophobicContact CD1-CE2 4.05Å; I239-F245 HydrophobicContact CD1-CG 3.55Å; I239-F245 HydrophobicContact CD1-CZ 4.26Å; I239-F245 HydrophobicContact CG2-CD1 4.11Å; I239-V260 HydrophobicContact CD1-CG1 3.68Å; I239-V260 HydrophobicContact CD1-CG2 4.47Å
240	T	90.4	Very high	89.9	Confident	94 Å²	94	60.7 Å²	60.7	58%	0.577	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-88.5	152.6	175.7	51.5	0	0	0	0	111.5	T243	T240-T243 WeakPolarHBondContact O-CB 3.35Å; T240-T243 PolarHBondContact O-N 3.4Å; T240-T243 PolarHBondContact O-OG1 3.21Å; T240-T243 PolarHBondContact OG1-OG1 2.99Å
241	V	95	Very high	89.2	Confident	64 Å²	64	59.5 Å²	59.5	39%	0.388	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	143.5	179.9	-163	0	0	0	0	111	A223 T243	A223-V241 VanDerWaalsContact C-CG1 3.43Å; A223-V241 WeakPolarHBondContact O-CG1 3.06Å; V241-T243 VanDerWaalsContact C-N 3.32Å
242	W	94.2	Very high	88.5	Confident	58 Å²	58	56 Å²	56	22%	0.22	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	33.2	-171.8	-51.6	108	0	0	0	114.6	L172 L173 A176 V221 L222 A223	L172-W242 HydrophobicContact CB-CD2 3.89Å; L172-W242 HydrophobicContact CB-CE3 3.72Å; L172-W242 HydrophobicContact CB-CH2 3.91Å; L172-W242 HydrophobicContact CB-CZ2 4.07Å; L172-W242 HydrophobicContact CB-CZ3 3.73Å; L172-W242 HydrophobicContact CD1-CH2 4.16Å; L172-W242 HydrophobicContact CD1-CZ2 3.72Å; L172-W242 HydrophobicContact CD2-CD2 4.49Å; L172-W242 HydrophobicContact CG-CZ2 4.43Å; L173-W242 HydrophobicContact CD2-CZ3 4.05Å; L173-W242 HydrophobicContact CG-CZ3 4.24Å; A176-W242 HydrophobicContact CB-CB 4.33Å; A176-W242 VanDerWaalsContact CB-O 3.25Å; A176-W242 WeakPolarHBondContact CB-O 3.28Å; V221-W242 HydrophobicContact CG1-CE3 4.17Å; L222-W242 WeakPolarHBondContact O-CA 3.32Å; L222-W242 PolarHBondContact O-N 3.04Å; A223-W242 HydrophobicContact CB-CH2 4.08Å; A223-W242 HydrophobicContact CB-CZ3 4.39Å
243	T	93.8	Very high	87.8	Confident	49 Å²	49	50.8 Å²	50.8	30%	0.301	28%	0.277	S	S	.	.			trans	-106.3	133.4	166.9	-58.9	0	0	0	0	110.4	V221 L222 I239 T240 V241	V221-T243 WeakPolarHBondContact CA-O 3.33Å; L222-T243 PolarHBondContact N-O 3.17Å; L222-T243 VanDerWaalsContact N-O 3.08Å; I239-T243 HydrophobicContact CG2-CG2 3.98Å; T240-T243 WeakPolarHBondContact O-CB 3.35Å; T240-T243 PolarHBondContact O-N 3.4Å; T240-T243 PolarHBondContact O-OG1 3.21Å; T240-T243 PolarHBondContact OG1-OG1 2.99Å; V241-T243 VanDerWaalsContact C-N 3.32Å
244	A	94.4	Very high	87.3	Confident	9 Å²	9	43.9 Å²	43.9	7%	0.074	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.8	171.5	0	0	0	0	0	111.2	N180 L183 F220 V221	N180-A244 HydrophobicContact CB-CB 4.29Å; L183-A244 HydrophobicContact CD1-CB 4.49Å; F220-A244 CarbonylContact O-C 3.46Å; F220-A244 VanDerWaalsContact O-CA 3.27Å; F220-A244 WeakPolarHBondContact O-CA 3.38Å; V221-A244 HydrophobicContact CG2-CB 3.86Å
245	F	92.7	Very high	86.8	Confident	15 Å²	15	41.3 Å²	41.3	7%	0.066	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	152	-177.3	67.1	-85.1	0	0	0	113.5	V209 I210 F220 L222 L227 I239 V260 T268	V209-F245 HydrophobicContact CG1-CE2 4.14Å; V209-F245 HydrophobicContact CG1-CZ 4.08Å; I210-F245 HydrophobicContact CD1-CD2 3.92Å; I210-F245 HydrophobicContact CD1-CE2 3.92Å; I210-F245 HydrophobicContact CG1-CE2 4.5Å; F220-F245 HydrophobicContact CB-CD1 4.03Å; F220-F245 HydrophobicContact CB-CD2 4.2Å; F220-F245 HydrophobicContact CB-CE1 3.54Å; F220-F245 HydrophobicContact CB-CE2 3.73Å; F220-F245 HydrophobicContact CB-CG 4.34Å; F220-F245 HydrophobicContact CB-CZ 3.38Å; F220-F245 HydrophobicContact CD2-CD2 4.39Å; F220-F245 AromaticContact CD2-CE2 3.83Å; F220-F245 HydrophobicContact CD2-CE2 3.83Å; F220-F245 HydrophobicContact CD2-CZ 4.22Å; F220-F245 HydrophobicContact CG-CE2 4.08Å; F220-F245 AromaticContact CG-CZ 3.99Å; F220-F245 HydrophobicContact CG-CZ 3.99Å; F220-F245 PolarHBondContact N-O 3.19Å; F220-F245 PolarHBondContact O-N 3.21Å; L222-F245 HydrophobicContact CB-CE1 4.25Å; L227-F245 HydrophobicContact CD1-CE1 3.73Å; L227-F245 HydrophobicContact CD1-CE2 4.21Å; L227-F245 HydrophobicContact CD1-CZ 3.38Å; I239-F245 HydrophobicContact CD1-CB 3.98Å; I239-F245 HydrophobicContact CD1-CD1 3.79Å; I239-F245 HydrophobicContact CD1-CD2 3.7Å; I239-F245 HydrophobicContact CD1-CE1 4.14Å; I239-F245 HydrophobicContact CD1-CE2 4.05Å; I239-F245 HydrophobicContact CD1-CG 3.55Å; I239-F245 HydrophobicContact CD1-CZ 4.26Å; I239-F245 HydrophobicContact CG2-CD1 4.11Å; F245-V260 HydrophobicContact CE2-CB 4.5Å; F245-V260 HydrophobicContact CE2-CG1 4.05Å; F245-T268 HydrophobicContact CZ-CG2 4.36Å
246	G	88.6	Confident	86.5	Confident	17 Å²	17	38.1 Å²	38.1	18%	0.175	22%	0.22	C	C	.	.			trans	89.2	16.9	176.7	0	0	0	0	0	113.9	L248 A249 R256	G246-L248 VanDerWaalsContact C-N 3.29Å; G246-L248 PolarHBondContact O-N 2.96Å; G246-A249 WeakPolarHBondContact O-CB 3.48Å; G246-A249 PolarHBondContact O-N 3.42Å; G246-A249 VanDerWaalsContact O-N 3.14Å; G246-R256 PolarHBondContact O-NH1 3.45Å
247	E	87.3	Confident	86.3	Confident	36 Å²	36	37.7 Å²	37.7	17%	0.168	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.6	-171.3	60.1	-93.6	-121.5	0	0	115.7	N180 L219 A249 I250 M669	N180-E247 PolarHBondContact ND2-OE1 2.74Å; L219-E247 HydrophobicContact CD1-CB 3.94Å; E247-A249 PolarHBondContact O-N 2.81Å; E247-I250 WeakPolarHBondContact O-CG1 3.24Å; E247-I250 PolarHBondContact O-N 3.02Å; E247-M669 HydrophobicContact CG-CE 3.56Å; E247-M669 HydrophobicContact CG-SD 3.91Å
248	L	81.5	Confident	86.1	Confident	22 Å²	22	34.2 Å²	34.2	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-33.3	174	-74.5	172.4	0	0	0	112.5	G246 I250 L251 Y252 C254 Q668 M669 Y672	G246-L248 VanDerWaalsContact C-N 3.29Å; G246-L248 PolarHBondContact O-N 2.96Å; L248-I250 VanDerWaalsContact C-N 3.32Å; L248-I250 PolarHBondContact O-N 3.49Å; L248-L251 HydrophobicContact CD2-CD1 4.42Å; L248-L251 WeakPolarHBondContact O-CB 3.42Å; L248-L251 PolarHBondContact O-N 3.46Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L248-Y252 HydrophobicContact CD2-CE1 4.37Å; L248-Y252 PolarHBondContact O-N 2.88Å; L248-C254 HydrophobicContact CB-CB 4.45Å; L248-Q668 HydrophobicContact CD1-CB 4.5Å; L248-Q668 HydrophobicContact CD2-CB 4.31Å; L248-M669 HydrophobicContact CD1-CG 4.05Å; L248-M669 HydrophobicContact CD2-CG 3.79Å; L248-M669 HydrophobicContact CD2-SD 3.52Å; L248-M669 VanDerWaalsContact CD2-SD 3.52Å; L248-M669 HydrophobicContact CG-CG 3.76Å; L248-M669 HydrophobicContact CG-SD 3.84Å; L248-Y672 HydrophobicContact CD2-CD2 4.11Å; L248-Y672 HydrophobicContact CD2-CE2 3.65Å
249	A	81.8	Confident	86.1	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.4	-25.6	-175.1	0	0	0	0	0	114.9	G216 G246 E247 R273	G216-A249 WeakPolarHBondContact O-CB 3.23Å; G246-A249 WeakPolarHBondContact O-CB 3.48Å; G246-A249 PolarHBondContact O-N 3.42Å; G246-A249 VanDerWaalsContact O-N 3.14Å; E247-A249 PolarHBondContact O-N 2.81Å; A249-R273 PolarHBondContact O-NE 2.85Å; A249-R273 PolarHBondContact O-NH2 2.71Å
250	I	82.7	Confident	86.2	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-86.4	-13	175.9	54.6	163.3	0	0	0	112.5	L183 L219 E247 L248 F276	L183-I250 HydrophobicContact CD2-CD1 4.26Å; L219-I250 HydrophobicContact CB-CD1 3.87Å; L219-I250 HydrophobicContact CB-CG1 4.19Å; L219-I250 HydrophobicContact CB-CG2 3.65Å; L219-I250 HydrophobicContact CD2-CD1 3.83Å; L219-I250 HydrophobicContact CG-CD1 4.28Å; E247-I250 WeakPolarHBondContact O-CG1 3.24Å; E247-I250 PolarHBondContact O-N 3.02Å; L248-I250 VanDerWaalsContact C-N 3.32Å; L248-I250 PolarHBondContact O-N 3.49Å; I250-F276 HydrophobicContact CB-CB 4.19Å; I250-F276 HydrophobicContact CB-CD1 3.94Å; I250-F276 HydrophobicContact CB-CG 4.01Å; I250-F276 HydrophobicContact CD1-CD1 4.2Å; I250-F276 HydrophobicContact CD1-CD2 3.63Å; I250-F276 HydrophobicContact CD1-CE1 4.29Å; I250-F276 HydrophobicContact CD1-CE2 3.72Å; I250-F276 HydrophobicContact CD1-CG 3.88Å; I250-F276 HydrophobicContact CD1-CZ 4.07Å; I250-F276 HydrophobicContact CG1-CD1 4.34Å; I250-F276 HydrophobicContact CG1-CE1 4.49Å; I250-F276 HydrophobicContact CG1-CG 4.39Å; I250-F276 HydrophobicContact CG2-CB 4.47Å; I250-F276 VanDerWaalsContact O-CD1 3.24Å; I250-F276 WeakPolarHBondContact O-CD1 3.29Å
251	L	78.2	Confident	86.5	Confident	5 Å²	5	31.2 Å²	31.2	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-78.2	-56.4	171.3	-54.7	-176.1	0	0	0	110.4	Y182 L248 F276 Q277 F623 Y672	Y182-L251 HydrophobicContact CE1-CD2 3.69Å; Y182-L251 HydrophobicContact CE2-CD2 4.41Å; Y182-L251 VanDerWaalsContact OH-CD2 3.32Å; Y182-L251 WeakPolarHBondContact OH-CD2 3.44Å; L248-L251 HydrophobicContact CD2-CD1 4.42Å; L248-L251 WeakPolarHBondContact O-CB 3.42Å; L248-L251 PolarHBondContact O-N 3.46Å; L248-L251 VanDerWaalsContact O-N 3.14Å; L251-F276 HydrophobicContact CD2-CE1 4.16Å; L251-F276 HydrophobicContact CD2-CZ 4.37Å; L251-Q277 PolarHBondContact O-NE2 3.42Å; L251-F623 HydrophobicContact CB-CD2 3.93Å; L251-F623 HydrophobicContact CB-CE2 3.91Å; L251-F623 HydrophobicContact CB-CG 4.42Å; L251-F623 HydrophobicContact CB-CZ 4.41Å; L251-F623 HydrophobicContact CD1-CE2 4.03Å; L251-F623 HydrophobicContact CD1-CZ 4.48Å; L251-F623 HydrophobicContact CG-CE2 4.42Å; L251-F623 WeakPolarHBondContact O-CB 3.31Å; L251-Y672 HydrophobicContact CD1-CD2 4.41Å; L251-Y672 HydrophobicContact CD1-CE2 4.27Å
252	Y	74.6	Confident	86.5	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	16%	0.155	C	C	.	.	S	Bend	trans	-153.8	-179.6	-174.7	65.9	-89.9	0	0	0	112.2	V144 L248 C254 R273 F623 Q668 Y672	V144-Y252 HydrophobicContact CB-CD2 3.61Å; V144-Y252 HydrophobicContact CB-CE2 3.52Å; V144-Y252 HydrophobicContact CB-CG 4.3Å; V144-Y252 HydrophobicContact CG1-CD2 4.19Å; V144-Y252 HydrophobicContact CG1-CE2 3.6Å; V144-Y252 HydrophobicContact CG2-CD1 4.23Å; V144-Y252 HydrophobicContact CG2-CD2 3.86Å; V144-Y252 HydrophobicContact CG2-CE1 4.11Å; V144-Y252 HydrophobicContact CG2-CE2 3.72Å; V144-Y252 HydrophobicContact CG2-CG 4.11Å; L248-Y252 HydrophobicContact CD2-CE1 4.37Å; L248-Y252 PolarHBondContact O-N 2.88Å; Y252-C254 VanDerWaalsContact C-N 3.3Å; Y252-C254 HydrophobicContact CD2-CB 4.08Å; Y252-C254 HydrophobicContact CE2-CB 3.5Å; Y252-C254 PolarHBondContact O-N 3.27Å; Y252-R273 PolarHBondContact O-NH2 2.86Å; Y252-R273 VanDerWaalsContact O-NH2 3.12Å; Y252-F623 AromaticContact CD1-CD1 3.57Å; Y252-F623 HydrophobicContact CD1-CD1 3.57Å; Y252-F623 AromaticContact CD1-CE1 3.25Å; Y252-F623 HydrophobicContact CD1-CE1 3.25Å; Y252-F623 HydrophobicContact CD1-CE2 4.43Å; Y252-F623 HydrophobicContact CD1-CG 4.33Å; Y252-F623 AromaticContact CD1-CZ 3.74Å; Y252-F623 HydrophobicContact CD1-CZ 3.74Å; Y252-F623 HydrophobicContact CE1-CD1 4.5Å; Y252-F623 AromaticContact CE1-CE1 3.76Å; Y252-F623 HydrophobicContact CE1-CE1 3.76Å; Y252-F623 HydrophobicContact CE1-CZ 4.01Å; Y252-F623 AromaticContact CG-CD1 3.94Å; Y252-F623 HydrophobicContact CG-CD1 3.94Å; Y252-F623 AromaticContact CG-CE1 3.99Å; Y252-F623 HydrophobicContact CG-CE1 3.99Å; Y252-Q668 PolarHBondContact OH-NE2 2.83Å; Y252-Q668 PolarHBondContact OH-OE1 3.35Å; Y252-Y672 HydrophobicContact CE1-CE2 4.24Å; Y252-Y672 WeakPolarHBondContact CE1-OH 3.36Å
253	N	71.9	Confident	86.6	Confident	57 Å²	57	27.3 Å²	27.3	31%	0.305	16%	0.155	S	C	.	.			trans	-78.7	73.3	-179.8	-151.2	41.6	0	0	0	112.8	S145 R273	S145-N253 PolarHBondContact O-N 3.47Å; N253-R273 VanDerWaalsContact CA-NH2 3.34Å; N253-R273 PolarHBondContact OD1-NH1 2.98Å; N253-R273 PolarHBondContact OD1-NH2 2.95Å
254	C	74.1	Confident	86.6	Confident	10 Å²	10	28.2 Å²	28.2	7%	0.068	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.9	175.5	73.8	0	0	0	0	111.6	G216 L248 Y252	G216-C254 PolarHBondContact N-O 2.82Å; L248-C254 HydrophobicContact CB-CB 4.45Å; Y252-C254 VanDerWaalsContact C-N 3.3Å; Y252-C254 HydrophobicContact CD2-CB 4.08Å; Y252-C254 HydrophobicContact CE2-CB 3.5Å; Y252-C254 PolarHBondContact O-N 3.27Å
255	T	79.7	Confident	86.7	Confident	96 Å²	96	33.9 Å²	33.9	59%	0.589	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.9	159.8	47.5	0	0	0	0	109.1	E214 T257	E214-T255 CarbonylContact O-C 3.5Å; E214-T255 WeakPolarHBondContact O-CA 3.45Å; T255-T257 PolarHBondContact O-N 2.82Å
256	R	85.7	Confident	86.9	Confident	22 Å²	22	33.2 Å²	33.2	8%	0.083	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-67.7	120.3	-178.5	-66.9	-71.8	-155.4	-170	-0.5	109.4	I210 T211 Q212 G213 E214 G216 H218 G246 A258	I210-R256 HydrophobicContact CG2-CB 3.71Å; I210-R256 VanDerWaalsContact CG2-CD 3.48Å; I210-R256 HydrophobicContact CG2-CG 3.59Å; T211-R256 WeakPolarHBondContact O-CB 3.37Å; Q212-R256 CarbonylContact C-O 3.58Å; Q212-R256 WeakPolarHBondContact CA-O 3.32Å; G213-R256 PolarHBondContact N-O 3.39Å; E214-R256 VanDerWaalsContact O-CG 3.32Å; E214-R256 WeakPolarHBondContact O-CG 3.36Å; E214-R256 PolarHBondContact O-N 3.14Å; G216-R256 VanDerWaalsContact CA-NE 3.3Å; H218-R256 PolarHBondContact O-NH1 2.75Å; H218-R256 PolarHBondContact O-NH2 3.07Å; G246-R256 PolarHBondContact O-NH1 3.45Å; R256-A258 VanDerWaalsContact C-N 3.33Å; R256-A258 PolarHBondContact O-N 3Å
257	T	85.1	Confident	87.3	Confident	79 Å²	79	36.5 Å²	36.5	49%	0.485	19%	0.186	S	C	.	.	S	Bend	trans	-77	-17.7	-173.1	52.7	0	0	0	0	114.1	Q212 Q231 T255	Q212-T257 PolarHBondContact NE2-O 3.36Å; Q231-T257 PolarHBondContact NE2-O 3.19Å; T255-T257 PolarHBondContact O-N 2.82Å
258	A	89.2	Confident	87.8	Confident	12 Å²	12	34.8 Å²	34.8	10%	0.099	18%	0.178	C	C	.	.	S	Bend	trans	-149.4	152.1	179	0	0	0	0	0	109.9	I210 V229 F230 Q231 R256	I210-A258 VanDerWaalsContact CG2-O 3.3Å; I210-A258 WeakPolarHBondContact CG2-O 3.44Å; V229-A258 HydrophobicContact CG1-CB 3.84Å; F230-A258 CarbonylContact O-C 3.6Å; F230-A258 WeakPolarHBondContact O-CA 3.44Å; F230-A258 WeakPolarHBondContact O-CB 3.45Å; Q231-A258 HydrophobicContact CB-CB 4.19Å; R256-A258 VanDerWaalsContact C-N 3.33Å; R256-A258 PolarHBondContact O-N 3Å
259	S	93.8	Very high	88.5	Confident	17 Å²	17	34.7 Å²	34.7	12%	0.119	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	149.2	169.9	-60.5	0	0	0	0	110.6	I210 Q212 V229 F230	I210-S259 CarbonylContact O-C 3.53Å; I210-S259 WeakPolarHBondContact O-CA 3.45Å; Q212-S259 WeakPolarHBondContact CB-OG 3.34Å; Q212-S259 PolarHBondContact N-OG 3.14Å; V229-S259 CarbonylContact C-O 3.59Å; V229-S259 WeakPolarHBondContact CA-O 3.34Å; F230-S259 PolarHBondContact N-O 3.1Å; F230-S259 PolarHBondContact O-N 3.29Å
260	V	95.6	Very high	89.2	Confident	8 Å²	8	34.7 Å²	34.7	5%	0.048	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.5	174.7	-175	0	0	0	0	108.8	Y208 V209 I210 L227 E228 V229 I239 F245	Y208-V260 CarbonylContact C-O 3.53Å; Y208-V260 WeakPolarHBondContact CA-O 3.2Å; V209-V260 PolarHBondContact N-O 3.39Å; I210-V260 HydrophobicContact CB-CB 3.98Å; I210-V260 HydrophobicContact CB-CG2 4Å; I210-V260 HydrophobicContact CD1-CG2 4.02Å; I210-V260 HydrophobicContact CG1-CB 4.38Å; I210-V260 HydrophobicContact CG1-CG2 4.35Å; I210-V260 PolarHBondContact N-O 3.19Å; I210-V260 PolarHBondContact O-N 2.96Å; L227-V260 HydrophobicContact CB-CG1 3.87Å; L227-V260 HydrophobicContact CD1-CG1 3.91Å; L227-V260 HydrophobicContact CD2-CG1 4.13Å; L227-V260 HydrophobicContact CG-CG1 4.2Å; E228-V260 WeakPolarHBondContact O-CA 3.11Å; V229-V260 HydrophobicContact CG1-CG2 4.4Å; V229-V260 HydrophobicContact CG2-CG2 4.25Å; I239-V260 HydrophobicContact CD1-CG1 3.68Å; I239-V260 HydrophobicContact CD1-CG2 4.47Å; F245-V260 HydrophobicContact CE2-CB 4.5Å; F245-V260 HydrophobicContact CE2-CG1 4.05Å
261	R	96.1	Very high	89.7	Confident	79 Å²	79	34.7 Å²	34.7	30%	0.298	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.8	-170.3	-166.6	-172.8	63.5	176.9	-3	112.3	G206 E207 Y208 L227 E228 F230	G206-R261 WeakPolarHBondContact O-CG 3.39Å; E207-R261 CarbonylContact O-C 3.59Å; E207-R261 WeakPolarHBondContact O-CA 3.43Å; E207-R261 WeakPolarHBondContact O-CG 3.42Å; Y208-R261 HydrophobicContact CD1-CB 3.89Å; Y208-R261 HydrophobicContact CD1-CG 4.17Å; Y208-R261 HydrophobicContact CD2-CG 4.33Å; Y208-R261 HydrophobicContact CE1-CB 3.77Å; Y208-R261 HydrophobicContact CE1-CG 3.99Å; Y208-R261 HydrophobicContact CE2-CG 4.13Å; Y208-R261 HydrophobicContact CG-CB 4.49Å; Y208-R261 HydrophobicContact CG-CG 4.35Å; L227-R261 WeakPolarHBondContact CA-O 3.3Å; E228-R261 PolarHBondContact N-O 2.81Å; E228-R261 PolarHBondContact O-N 3.22Å; E228-R261 IonicContact OE2-NH2 2.85Å; F230-R261 HydrophobicContact CD2-CB 4.35Å; F230-R261 HydrophobicContact CE2-CB 4.06Å
262	A	96.5	Very high	90.3	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.5	173.4	0	0	0	0	0	112.3	Q204 G206 E207 L227 V266	Q204-A262 WeakPolarHBondContact O-CB 3.5Å; G206-A262 PolarHBondContact N-O 3.02Å; E207-A262 PolarHBondContact O-N 2.94Å; L227-A262 HydrophobicContact CD2-CB 4.28Å; A262-V266 HydrophobicContact CB-CB 4.25Å; A262-V266 HydrophobicContact CB-CG2 4.05Å
263	V	94.9	Very high	90.9	Very high	38 Å²	38	37.4 Å²	37.4	23%	0.23	19%	0.19	C	C	.	.	S	Bend	trans	-88.4	-27.3	178.8	-173	0	0	0	0	111.4	Q205 K226 E228	Q205-V263 WeakPolarHBondContact CG-O 3.41Å; Q205-V263 PolarHBondContact NE2-O 3.47Å; K226-V263 HydrophobicContact CB-CB 4.24Å; K226-V263 HydrophobicContact CB-CG2 4.47Å; K226-V263 HydrophobicContact CD-CB 4.18Å; K226-V263 HydrophobicContact CD-CG1 4.23Å; K226-V263 HydrophobicContact CD-CG2 4.07Å; K226-V263 HydrophobicContact CG-CB 4.29Å; K226-V263 HydrophobicContact CG-CG2 4.06Å; K226-V263 PolarHBondContact O-N 2.95Å; E228-V263 HydrophobicContact CB-CG2 3.94Å; E228-V263 HydrophobicContact CG-CG2 3.52Å
264	N	95.3	Very high	91.4	Very high	69 Å²	69	39.8 Å²	39.8	37%	0.369	20%	0.199	S	C	.	.	S	Bend	trans	-141.6	-169.9	173.6	60.7	-9.2	0	0	0	108.1	G225 K226 V266	G225-N264 WeakPolarHBondContact CA-OD1 3.34Å; K226-N264 PolarHBondContact N-OD1 2.93Å; N264-V266 PolarHBondContact O-N 2.98Å
265	K	95.9	Very high	92.1	Very high	128 Å²	128	39.3 Å²	39.3	56%	0.557	20%	0.196	S	C	*	.	S	Bend	trans	-61.2	125.8	168.6	-174.8	179.1	178.1	-178.1	0	109.4	Y203	Y203-K265 WeakPolarHBondContact O-CA 3.47Å
266	V	97.3	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.5	-175.9	160.1	0	0	0	0	110.1	S202 Y203 L222 D224 K226 L227 A262 N264 T268	S202-V266 WeakPolarHBondContact CA-O 3.2Å; Y203-V266 HydrophobicContact CD2-CG1 4.44Å; Y203-V266 PolarHBondContact N-O 3.32Å; Y203-V266 PolarHBondContact O-N 3.38Å; L222-V266 HydrophobicContact CD1-CG1 3.61Å; D224-V266 WeakPolarHBondContact O-CA 3.14Å; K226-V266 WeakPolarHBondContact O-CG2 3.45Å; L227-V266 HydrophobicContact CD1-CG1 4.41Å; L227-V266 HydrophobicContact CD2-CB 4.43Å; L227-V266 HydrophobicContact CD2-CG1 3.98Å; L227-V266 HydrophobicContact CD2-CG2 4.02Å; L227-V266 HydrophobicContact CG-CG1 4.14Å; L227-V266 HydrophobicContact CG-CG2 4.25Å; A262-V266 HydrophobicContact CB-CB 4.25Å; A262-V266 HydrophobicContact CB-CG2 4.05Å; N264-V266 PolarHBondContact O-N 2.98Å; V266-T268 HydrophobicContact CG1-CG2 3.8Å
267	R	96.9	Very high	92.4	Very high	86 Å²	86	34.9 Å²	34.9	33%	0.325	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.4	167.6	-53.5	-176.7	-66.6	124.1	-5.4	109.8	E200 C201 A223 D224	E200-R267 WeakPolarHBondContact OE1-CD 3.46Å; E200-R267 IonicContact OE1-CZ 2.82Å; E200-R267 IonicContact OE1-NE 3.81Å; E200-R267 IonicContact OE1-NH1 2.74Å; E200-R267 PolarHBondContact OE1-NH1 2.93Å; C201-R267 CarbonylContact O-C 3.59Å; C201-R267 WeakPolarHBondContact O-CA 3.43Å; A223-R267 WeakPolarHBondContact CA-O 3.27Å; A223-R267 HydrophobicContact CB-CB 4.49Å; A223-R267 WeakPolarHBondContact CB-O 3.33Å; A223-R267 PolarHBondContact N-O 2.9Å; D224-R267 HydrophobicContact CB-CB 3.92Å; D224-R267 HydrophobicContact CB-CG 4.21Å; D224-R267 PolarHBondContact N-O 3.08Å; D224-R267 VanDerWaalsContact N-O 3.11Å; D224-R267 PolarHBondContact O-N 3.2Å; D224-R267 IonicContact OD2-CZ 2.91Å; D224-R267 VanDerWaalsContact OD2-CZ 3.3Å; D224-R267 IonicContact OD2-NE 3.65Å; D224-R267 PolarHBondContact OD2-NE 2.89Å; D224-R267 IonicContact OD2-NH2 2.89Å; D224-R267 PolarHBondContact OD2-NH2 3.5Å
268	T	97	Very high	92.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.7	179.4	65.9	0	0	0	0	110.7	E200 C201 Y203 V221 L222 L227 F245 V266	E200-T268 CarbonylContact C-O 3.51Å; E200-T268 WeakPolarHBondContact CA-O 3.19Å; C201-T268 PolarHBondContact N-O 2.9Å; C201-T268 PolarHBondContact O-N 3.31Å; Y203-T268 HydrophobicContact CE2-CG2 4.39Å; V221-T268 CarbonylContact O-C 3.52Å; V221-T268 WeakPolarHBondContact O-CA 3.43Å; V221-T268 WeakPolarHBondContact O-CB 3.41Å; L222-T268 HydrophobicContact CD1-CG2 4.19Å; L227-T268 HydrophobicContact CD1-CG2 4.39Å; F245-T268 HydrophobicContact CZ-CG2 4.36Å; V266-T268 HydrophobicContact CG1-CG2 3.8Å
269	W	97.3	Very high	92.2	Very high	21 Å²	21	31.9 Å²	31.9	8%	0.08	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.6	163.2	-68	92.7	0	0	0	108.7	K165 V169 L173 M198 Y199 E200 F220 V221	K165-W269 HydrophobicContact CD-CE3 4.26Å; K165-W269 HydrophobicContact CD-CH2 4.08Å; K165-W269 HydrophobicContact CD-CZ3 3.88Å; K165-W269 HydrophobicContact CG-CH2 3.88Å; K165-W269 HydrophobicContact CG-CZ3 4Å; V169-W269 HydrophobicContact CG1-CZ2 3.66Å; L173-W269 HydrophobicContact CD1-CB 4.48Å; L173-W269 HydrophobicContact CD1-CD2 4.02Å; L173-W269 HydrophobicContact CD1-CE3 4.49Å; L173-W269 HydrophobicContact CD1-CG 3.97Å; L173-W269 HydrophobicContact CD2-CB 3.77Å; L173-W269 HydrophobicContact CD2-CG 3.7Å; L173-W269 HydrophobicContact CG-CG 4.36Å; M198-W269 HydrophobicContact CB-CB 4.15Å; M198-W269 HydrophobicContact CB-CE3 4.16Å; M198-W269 HydrophobicContact CE-CB 3.81Å; M198-W269 VanDerWaalsContact CE-O 3.24Å; M198-W269 WeakPolarHBondContact CE-O 3.23Å; M198-W269 HydrophobicContact SD-CB 4.12Å; Y199-W269 VanDerWaalsContact C-CE3 3.41Å; Y199-W269 CarbonylContact O-C 3.57Å; Y199-W269 VanDerWaalsContact O-CA 3.3Å; Y199-W269 WeakPolarHBondContact O-CA 3.45Å; E200-W269 HydrophobicContact CB-CD2 4.44Å; E200-W269 HydrophobicContact CB-CE3 4.17Å; E200-W269 HydrophobicContact CB-CH2 3.95Å; E200-W269 HydrophobicContact CB-CZ2 4.24Å; E200-W269 HydrophobicContact CB-CZ3 3.9Å; F220-W269 CarbonylContact C-O 3.55Å; F220-W269 VanDerWaalsContact CA-O 3.26Å; F220-W269 WeakPolarHBondContact CA-O 3.3Å; V221-W269 HydrophobicContact CB-CB 4.48Å; V221-W269 PolarHBondContact N-O 2.95Å; V221-W269 PolarHBondContact O-N 3.14Å
270	A	95.3	Very high	91.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	153.5	177.6	0	0	0	0	0	111.4	M198 Y199 L219 F220	M198-A270 CarbonylContact C-O 3.5Å; M198-A270 WeakPolarHBondContact CA-O 3.04Å; M198-A270 WeakPolarHBondContact CB-O 3.21Å; Y199-A270 HydrophobicContact CD1-CB 4.47Å; Y199-A270 HydrophobicContact CD2-CB 4.22Å; Y199-A270 HydrophobicContact CE1-CB 4.01Å; Y199-A270 HydrophobicContact CE2-CB 3.75Å; Y199-A270 PolarHBondContact N-O 3.21Å; Y199-A270 PolarHBondContact O-N 2.94Å; L219-A270 CarbonylContact O-C 3.59Å; L219-A270 WeakPolarHBondContact O-CA 3.43Å; F220-A270 HydrophobicContact CD1-CB 3.77Å; F220-A270 HydrophobicContact CE1-CB 3.75Å
271	L	94.1	Very high	91	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.2	170	-178.3	73.3	0	0	0	110.3	M194 C197 M198 H218 L219 A275 F276	M194-L271 HydrophobicContact CB-CD2 4.02Å; M194-L271 HydrophobicContact CE-CD2 3.57Å; M194-L271 HydrophobicContact CG-CD2 3.83Å; M194-L271 HydrophobicContact SD-CD2 4.46Å; C197-L271 HydrophobicContact CB-CD1 3.73Å; M198-L271 HydrophobicContact CE-CB 4.02Å; M198-L271 HydrophobicContact CG-CB 4.26Å; M198-L271 HydrophobicContact CG-CD1 4.46Å; H218-L271 WeakPolarHBondContact CA-O 3.21Å; L219-L271 HydrophobicContact CB-CB 4.45Å; L219-L271 HydrophobicContact CD2-CD2 4.42Å; L219-L271 PolarHBondContact N-O 3Å; L219-L271 PolarHBondContact O-N 3.35Å; L271-A275 HydrophobicContact CD1-CB 3.87Å; L271-F276 HydrophobicContact CD2-CB 4.18Å; L271-F276 HydrophobicContact CD2-CD2 4.44Å
272	D	90.1	Very high	90.1	Very high	52 Å²	52	36.7 Å²	36.7	28%	0.278	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.2	179.6	-47.4	-64.9	0	0	0	113.1	Y199 H218 E274 A275 F276	Y199-D272 PolarHBondContact OH-OD1 3.48Å; H218-D272 IonicContact CD2-OD1 3.63Å; H218-D272 PolarHBondContact CD2-OD1 3.05Å; H218-D272 VanDerWaalsContact CD2-OD1 3.3Å; H218-D272 IonicContact NE2-OD1 3.3Å; D272-E274 PolarHBondContact O-N 3Å; D272-A275 HydrophobicContact CB-CB 4.2Å; D272-A275 PolarHBondContact O-N 3.37Å; D272-F276 WeakPolarHBondContact O-CB 3.28Å; D272-F276 PolarHBondContact O-N 3.24Å
273	R	86.5	Confident	89.1	Confident	11 Å²	11	37.7 Å²	37.7	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-51.3	-44.6	165.2	-179	-169.3	-60	147.7	4.9	111.7	E147 G216 N217 A249 Y252 N253 F276 Q277	E147-R273 IonicContact OE1-NH1 2.69Å; E147-R273 PolarHBondContact OE1-NH1 2.64Å; G216-R273 PolarHBondContact O-NH2 2.7Å; N217-R273 WeakPolarHBondContact O-CB 3.35Å; N217-R273 PolarHBondContact O-N 3.44Å; A249-R273 PolarHBondContact O-NE 2.85Å; A249-R273 PolarHBondContact O-NH2 2.71Å; Y252-R273 PolarHBondContact O-NH2 2.86Å; Y252-R273 VanDerWaalsContact O-NH2 3.12Å; N253-R273 VanDerWaalsContact CA-NH2 3.34Å; N253-R273 PolarHBondContact OD1-NH1 2.98Å; N253-R273 PolarHBondContact OD1-NH2 2.95Å; R273-F276 PolarHBondContact O-N 3.42Å; R273-Q277 HydrophobicContact CG-CG 4.17Å; R273-Q277 WeakPolarHBondContact O-CB 3.24Å; R273-Q277 VanDerWaalsContact O-CG 3.31Å; R273-Q277 WeakPolarHBondContact O-CG 3.48Å; R273-Q277 PolarHBondContact O-N 2.86Å
274	E	83.9	Confident	88.1	Confident	106 Å²	106	37 Å²	37	50%	0.495	17%	0.168	S	C	.	.	H	α-helix	trans	-64	-45.8	-177.8	-176.6	177.7	171.1	0	0	111.5	F156 D272 Q277 N278	F156-E274 HydrophobicContact CD2-CG 4Å; F156-E274 HydrophobicContact CE2-CG 4.37Å; D272-E274 PolarHBondContact O-N 3Å; E274-Q277 PolarHBondContact O-N 2.95Å; E274-N278 VanDerWaalsContact CG-ND2 3.33Å; E274-N278 WeakPolarHBondContact CG-ND2 3.49Å; E274-N278 WeakPolarHBondContact O-CB 3.32Å; E274-N278 PolarHBondContact O-N 3.16Å; E274-N278 PolarHBondContact O-ND2 2.93Å
275	A	87.8	Confident	87.3	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-48.5	176.2	0	0	0	0	0	111	F156 C197 L271 D272 Q277 N278 I279	F156-A275 HydrophobicContact CE2-CB 4.19Å; F156-A275 HydrophobicContact CZ-CB 3.79Å; C197-A275 HydrophobicContact CB-CB 4.43Å; L271-A275 HydrophobicContact CD1-CB 3.87Å; D272-A275 HydrophobicContact CB-CB 4.2Å; D272-A275 PolarHBondContact O-N 3.37Å; A275-Q277 PolarHBondContact O-N 3.17Å; A275-N278 PolarHBondContact O-N 3.2Å; A275-I279 WeakPolarHBondContact O-CD1 3.27Å; A275-I279 VanDerWaalsContact O-CG1 3.23Å; A275-I279 WeakPolarHBondContact O-CG1 3.02Å; A275-I279 PolarHBondContact O-N 2.86Å
276	F	88	Confident	86.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.5	-51.7	176.5	176.2	-99.1	0	0	0	112.5	Y182 L183 L186 M194 I250 L251 L271 D272 R273 N278 I279 M280	Y182-F276 HydrophobicContact CE1-CZ 4.06Å; L183-F276 HydrophobicContact CD2-CE2 4.2Å; L186-F276 HydrophobicContact CD1-CE2 3.98Å; M194-F276 HydrophobicContact CE-CD2 4.01Å; M194-F276 HydrophobicContact CE-CE2 4.25Å; M194-F276 HydrophobicContact CG-CD2 4.47Å; M194-F276 HydrophobicContact SD-CD2 3.93Å; M194-F276 HydrophobicContact SD-CE2 4.04Å; I250-F276 HydrophobicContact CB-CB 4.19Å; I250-F276 HydrophobicContact CB-CD1 3.94Å; I250-F276 HydrophobicContact CB-CG 4.01Å; I250-F276 HydrophobicContact CD1-CD1 4.2Å; I250-F276 HydrophobicContact CD1-CD2 3.63Å; I250-F276 HydrophobicContact CD1-CE1 4.29Å; I250-F276 HydrophobicContact CD1-CE2 3.72Å; I250-F276 HydrophobicContact CD1-CG 3.88Å; I250-F276 HydrophobicContact CD1-CZ 4.07Å; I250-F276 HydrophobicContact CG1-CD1 4.34Å; I250-F276 HydrophobicContact CG1-CE1 4.49Å; I250-F276 HydrophobicContact CG1-CG 4.39Å; I250-F276 HydrophobicContact CG2-CB 4.47Å; I250-F276 VanDerWaalsContact O-CD1 3.24Å; I250-F276 WeakPolarHBondContact O-CD1 3.29Å; L251-F276 HydrophobicContact CD2-CE1 4.16Å; L251-F276 HydrophobicContact CD2-CZ 4.37Å; L271-F276 HydrophobicContact CD2-CB 4.18Å; L271-F276 HydrophobicContact CD2-CD2 4.44Å; D272-F276 WeakPolarHBondContact O-CB 3.28Å; D272-F276 PolarHBondContact O-N 3.24Å; R273-F276 PolarHBondContact O-N 3.42Å; F276-N278 VanDerWaalsContact C-N 3.34Å; F276-N278 PolarHBondContact O-N 3.09Å; F276-I279 PolarHBondContact O-N 2.82Å; F276-M280 HydrophobicContact CD1-CG 4.47Å; F276-M280 HydrophobicContact CD2-CE 3.67Å; F276-M280 HydrophobicContact CD2-CG 4.5Å; F276-M280 HydrophobicContact CE1-CG 4.12Å; F276-M280 HydrophobicContact CE2-CE 3.52Å; F276-M280 HydrophobicContact CE2-CG 4.16Å; F276-M280 HydrophobicContact CE2-SD 4.29Å; F276-M280 HydrophobicContact CG-CE 4.5Å; F276-M280 HydrophobicContact CZ-CE 4.23Å; F276-M280 HydrophobicContact CZ-CG 3.95Å; F276-M280 HydrophobicContact CZ-SD 4.46Å; F276-M280 WeakPolarHBondContact O-CG 3.42Å; F276-M280 PolarHBondContact O-N 2.77Å
277	Q	83.5	Confident	85.6	Confident	24 Å²	24	38.8 Å²	38.8	11%	0.112	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-38.3	-179.3	-73.1	-179.1	-7.2	0	0	112.4	L251 R273 E274 A275 R281	L251-Q277 PolarHBondContact O-NE2 3.42Å; R273-Q277 HydrophobicContact CG-CG 4.17Å; R273-Q277 WeakPolarHBondContact O-CB 3.24Å; R273-Q277 VanDerWaalsContact O-CG 3.31Å; R273-Q277 WeakPolarHBondContact O-CG 3.48Å; R273-Q277 PolarHBondContact O-N 2.86Å; E274-Q277 PolarHBondContact O-N 2.95Å; A275-Q277 PolarHBondContact O-N 3.17Å; Q277-R281 VanDerWaalsContact O-CB 3.29Å; Q277-R281 WeakPolarHBondContact O-CB 3.43Å; Q277-R281 PolarHBondContact O-N 2.99Å
278	N	84.1	Confident	84.9	Confident	25 Å²	25	35.7 Å²	35.7	13%	0.134	17%	0.166	C	C	.	.	H	α-helix	trans	-68.7	-36.7	175.9	-80.5	-67.2	0	0	0	112.9	F156 E274 A275 F276 R281 R282	F156-N278 HydrophobicContact CB-CB 4.19Å; F156-N278 VanDerWaalsContact CB-CG 3.5Å; F156-N278 WeakPolarHBondContact CB-ND2 3.36Å; F156-N278 HydrophobicContact CD1-CB 3.56Å; F156-N278 HydrophobicContact CE1-CB 4.02Å; F156-N278 HydrophobicContact CG-CB 3.85Å; F156-N278 WeakPolarHBondContact CG-ND2 3.22Å; E274-N278 VanDerWaalsContact CG-ND2 3.33Å; E274-N278 WeakPolarHBondContact CG-ND2 3.49Å; E274-N278 WeakPolarHBondContact O-CB 3.32Å; E274-N278 PolarHBondContact O-N 3.16Å; E274-N278 PolarHBondContact O-ND2 2.93Å; A275-N278 PolarHBondContact O-N 3.2Å; F276-N278 VanDerWaalsContact C-N 3.34Å; F276-N278 PolarHBondContact O-N 3.09Å; N278-R281 PolarHBondContact OD1-NH2 2.93Å; N278-R282 WeakPolarHBondContact O-CB 3.46Å; N278-R282 PolarHBondContact O-N 2.8Å
279	I	86.1	Confident	84.3	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-54.4	172.8	-68.2	158.7	0	0	0	110.1	F158 Q190 D193 M194 C197 A275 F276 R281 R282 T283	F158-I279 HydrophobicContact CD2-CG1 4.44Å; F158-I279 HydrophobicContact CE2-CD1 4.17Å; F158-I279 HydrophobicContact CE2-CG1 3.75Å; Q190-I279 HydrophobicContact CB-CG2 4.26Å; Q190-I279 HydrophobicContact CG-CG2 4.45Å; D193-I279 HydrophobicContact CB-CD1 4.42Å; D193-I279 HydrophobicContact CB-CG1 4.26Å; D193-I279 HydrophobicContact CB-CG2 3.96Å; M194-I279 HydrophobicContact CB-CD1 4.43Å; M194-I279 HydrophobicContact CG-CD1 3.93Å; C197-I279 HydrophobicContact CB-CD1 4.47Å; A275-I279 WeakPolarHBondContact O-CD1 3.27Å; A275-I279 VanDerWaalsContact O-CG1 3.23Å; A275-I279 WeakPolarHBondContact O-CG1 3.02Å; A275-I279 PolarHBondContact O-N 2.86Å; F276-I279 PolarHBondContact O-N 2.82Å; I279-R281 PolarHBondContact O-N 2.9Å; I279-R282 PolarHBondContact O-N 3.47Å; I279-T283 PolarHBondContact O-N 3.42Å; I279-T283 PolarHBondContact O-OG1 2.87Å
280	M	82.8	Confident	83.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.2	-45.6	-177.2	-60.1	-46.9	129.3	0	0	111.9	L186 Q190 M194 F276 A284 N637	L186-M280 HydrophobicContact CD1-CE 4.01Å; L186-M280 HydrophobicContact CD1-SD 4.23Å; L186-M280 HydrophobicContact CD2-SD 4Å; Q190-M280 HydrophobicContact CB-CE 3.97Å; Q190-M280 HydrophobicContact CB-SD 4.05Å; Q190-M280 VanDerWaalsContact CD-SD 3.52Å; Q190-M280 HydrophobicContact CG-CE 4.45Å; Q190-M280 HydrophobicContact CG-SD 3.98Å; M194-M280 HydrophobicContact CG-CE 4.05Å; M194-M280 HydrophobicContact SD-CE 3.69Å; F276-M280 HydrophobicContact CD1-CG 4.47Å; F276-M280 HydrophobicContact CD2-CE 3.67Å; F276-M280 HydrophobicContact CD2-CG 4.5Å; F276-M280 HydrophobicContact CE1-CG 4.12Å; F276-M280 HydrophobicContact CE2-CE 3.52Å; F276-M280 HydrophobicContact CE2-CG 4.16Å; F276-M280 HydrophobicContact CE2-SD 4.29Å; F276-M280 HydrophobicContact CG-CE 4.5Å; F276-M280 HydrophobicContact CZ-CE 4.23Å; F276-M280 HydrophobicContact CZ-CG 3.95Å; F276-M280 HydrophobicContact CZ-SD 4.46Å; F276-M280 WeakPolarHBondContact O-CG 3.42Å; F276-M280 PolarHBondContact O-N 2.77Å; M280-A284 VanDerWaalsContact O-CB 3.3Å; M280-A284 WeakPolarHBondContact O-CB 3.44Å; M280-A284 PolarHBondContact O-N 2.74Å; M280-N637 HydrophobicContact CB-CB 4.06Å; M280-N637 WeakPolarHBondContact CB-ND2 3.38Å; M280-N637 HydrophobicContact CG-CB 4.13Å
281	R	80.9	Confident	83.3	Confident	63 Å²	63	46.2 Å²	46.2	24%	0.238	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-54.1	175.3	175.1	171	59.5	175.7	-2.6	111.5	Q277 N278 I279 T283 A284 E285 W621	Q277-R281 VanDerWaalsContact O-CB 3.29Å; Q277-R281 WeakPolarHBondContact O-CB 3.43Å; Q277-R281 PolarHBondContact O-N 2.99Å; N278-R281 PolarHBondContact OD1-NH2 2.93Å; I279-R281 PolarHBondContact O-N 2.9Å; R281-T283 PolarHBondContact O-N 3.06Å; R281-A284 PolarHBondContact O-N 3.02Å; R281-E285 WeakPolarHBondContact CD-OE1 3.25Å; R281-E285 HydrophobicContact CG-CG 4.04Å; R281-E285 WeakPolarHBondContact CG-OE1 3.07Å; R281-E285 WeakPolarHBondContact CG-OE2 3.4Å; R281-E285 WeakPolarHBondContact O-CB 3.5Å; R281-E285 WeakPolarHBondContact O-CG 3.5Å; R281-E285 PolarHBondContact O-N 3.34Å; R281-W621 HydrophobicContact CB-CD2 4.32Å; R281-W621 HydrophobicContact CB-CG 4.13Å; R281-W621 HydrophobicContact CG-CD2 4.04Å; R281-W621 HydrophobicContact CG-CE3 4.25Å; R281-W621 HydrophobicContact CG-CG 4.34Å
282	R	78.9	Confident	83	Confident	141 Å²	141	48 Å²	48	53%	0.532	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-44.6	-173.8	-175.2	-177.7	-178.3	-174.2	3.6	112	N278 I279 T286	N278-R282 WeakPolarHBondContact O-CB 3.46Å; N278-R282 PolarHBondContact O-N 2.8Å; I279-R282 PolarHBondContact O-N 3.47Å; R282-T286 VanDerWaalsContact O-CB 3.23Å; R282-T286 WeakPolarHBondContact O-CB 3.37Å; R282-T286 PolarHBondContact O-N 3.26Å; R282-T286 PolarHBondContact O-OG1 2.74Å
283	T	74.1	Confident	82.9	Confident	23 Å²	23	49.5 Å²	49.5	14%	0.141	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-43.7	179.8	-53	0	0	0	0	110.9	Q190 I279 R281 R287	Q190-T283 HydrophobicContact CG-CG2 4Å; I279-T283 PolarHBondContact O-N 3.42Å; I279-T283 PolarHBondContact O-OG1 2.87Å; R281-T283 PolarHBondContact O-N 3.06Å; T283-R287 VanDerWaalsContact O-CB 3.27Å; T283-R287 WeakPolarHBondContact O-CB 3.36Å; T283-R287 PolarHBondContact O-N 3.12Å
284	A	74.1	Confident	83	Confident	23 Å²	23	50.2 Å²	50.2	19%	0.19	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-47.5	177.2	0	0	0	0	0	112.6	M280 R281 H288 W621	M280-A284 VanDerWaalsContact O-CB 3.3Å; M280-A284 WeakPolarHBondContact O-CB 3.44Å; M280-A284 PolarHBondContact O-N 2.74Å; R281-A284 PolarHBondContact O-N 3.02Å; A284-H288 WeakPolarHBondContact O-CB 3.41Å; A284-H288 PolarHBondContact O-N 2.94Å; A284-W621 HydrophobicContact CB-CZ2 4.39Å
285	E	78.1	Confident	83.2	Confident	85 Å²	85	45.2 Å²	45.2	40%	0.397	21%	0.209	S	C	.	.	H	α-helix	trans	-61.9	-46.5	177.1	-73.6	176.9	160.4	0	0	111.5	R281 E289 W621	R281-E285 WeakPolarHBondContact CD-OE1 3.25Å; R281-E285 HydrophobicContact CG-CG 4.04Å; R281-E285 WeakPolarHBondContact CG-OE1 3.07Å; R281-E285 WeakPolarHBondContact CG-OE2 3.4Å; R281-E285 WeakPolarHBondContact O-CB 3.5Å; R281-E285 WeakPolarHBondContact O-CG 3.5Å; R281-E285 PolarHBondContact O-N 3.34Å; E285-E289 VanDerWaalsContact O-CB 3.22Å; E285-E289 WeakPolarHBondContact O-CB 3.48Å; E285-E289 PolarHBondContact O-N 3.35Å; E285-W621 HydrophobicContact CG-CH2 3.48Å; E285-W621 VanDerWaalsContact CG-CH2 3.48Å; E285-W621 HydrophobicContact CG-CZ2 3.65Å; E285-W621 HydrophobicContact CG-CZ3 4.22Å; E285-W621 WeakPolarHBondContact OE1-CZ3 3.1Å
286	T	79.8	Confident	83.2	Confident	64 Å²	64	50.3 Å²	50.3	39%	0.393	23%	0.229	S	C	.	.	H	α-helix	trans	-63.8	-48.1	-179.2	-53.4	0	0	0	0	111.1	R282 E289 Q290	R282-T286 VanDerWaalsContact O-CB 3.23Å; R282-T286 WeakPolarHBondContact O-CB 3.37Å; R282-T286 PolarHBondContact O-N 3.26Å; R282-T286 PolarHBondContact O-OG1 2.74Å; T286-E289 PolarHBondContact O-N 2.83Å; T286-Q290 HydrophobicContact CG2-CG 4.46Å; T286-Q290 WeakPolarHBondContact O-CB 3.3Å; T286-Q290 VanDerWaalsContact O-CG 3.23Å; T286-Q290 WeakPolarHBondContact O-CG 3.21Å; T286-Q290 PolarHBondContact O-N 3Å
287	R	78.1	Confident	83.2	Confident	85 Å²	85	54 Å²	54	32%	0.321	25%	0.254	S	S	.	.	H	α-helix	trans	-64.1	-44.4	179.7	-173.5	175	-176	-157.5	-8	111.7	E187 T283 E289 Q290 Y291	E187-R287 IonicContact OE1-CZ 3.72Å; E187-R287 IonicContact OE1-NH1 3.9Å; E187-R287 PolarHBondContact OE1-NH1 2.85Å; T283-R287 VanDerWaalsContact O-CB 3.27Å; T283-R287 WeakPolarHBondContact O-CB 3.36Å; T283-R287 PolarHBondContact O-N 3.12Å; R287-E289 PolarHBondContact O-N 2.82Å; R287-Q290 PolarHBondContact O-N 3.03Å; R287-Y291 HydrophobicContact CG-CD2 4.03Å; R287-Y291 HydrophobicContact CG-CE2 3.65Å; R287-Y291 VanDerWaalsContact NE-CE2 3.31Å; R287-Y291 PolarHBondContact NE-OH 3.45Å; R287-Y291 PolarHBondContact NH2-OH 3.39Å; R287-Y291 PolarHBondContact O-N 2.75Å
288	H	82.3	Confident	83.3	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.102	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-37.2	178.6	-171.9	-31.9	0	0	0	111.9	A284 R292 V313 D314	A284-H288 WeakPolarHBondContact O-CB 3.41Å; A284-H288 PolarHBondContact O-N 2.94Å; H288-R292 PolarHBondContact CE1-NH2 2.82Å; H288-R292 PolarHBondContact ND1-NH2 3.08Å; H288-R292 VanDerWaalsContact O-CB 3.27Å; H288-R292 WeakPolarHBondContact O-CB 3.37Å; H288-R292 PolarHBondContact O-N 2.78Å; H288-V313 HydrophobicContact CB-CG1 4.28Å; H288-D314 IonicContact CD2-OD1 2.73Å; H288-D314 IonicContact NE2-OD1 2.74Å
289	E	84.3	Confident	83.1	Confident	85 Å²	85	55.9 Å²	55.9	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-74.4	-35.4	177.2	-172.6	59.3	-166	0	0	112.3	E285 T286 R287 R292 N293	E285-E289 VanDerWaalsContact O-CB 3.22Å; E285-E289 WeakPolarHBondContact O-CB 3.48Å; E285-E289 PolarHBondContact O-N 3.35Å; T286-E289 PolarHBondContact O-N 2.83Å; R287-E289 PolarHBondContact O-N 2.82Å; E289-R292 PolarHBondContact O-N 2.84Å; E289-R292 IonicContact OE2-CZ 3.48Å; E289-R292 IonicContact OE2-NH1 2.73Å; E289-R292 PolarHBondContact OE2-NH1 3.39Å; E289-N293 WeakPolarHBondContact CG-ND2 3.38Å; E289-N293 WeakPolarHBondContact O-CB 3.49Å; E289-N293 PolarHBondContact O-N 3.01Å; E289-N293 PolarHBondContact O-ND2 2.79Å; E289-N293 PolarHBondContact OE1-ND2 3.26Å
290	Q	85.6	Confident	82.6	Confident	124 Å²	124	56.3 Å²	56.3	58%	0.579	27%	0.274	S	S	*	.	H	α-helix	trans	-59.7	-50.6	170.1	-77.4	168.8	-23.1	0	0	111.2	T286 R287 N293 F294	T286-Q290 HydrophobicContact CG2-CG 4.46Å; T286-Q290 WeakPolarHBondContact O-CB 3.3Å; T286-Q290 VanDerWaalsContact O-CG 3.23Å; T286-Q290 WeakPolarHBondContact O-CG 3.21Å; T286-Q290 PolarHBondContact O-N 3Å; R287-Q290 PolarHBondContact O-N 3.03Å; Q290-N293 PolarHBondContact O-N 2.75Å; Q290-F294 WeakPolarHBondContact O-CB 3.32Å; Q290-F294 PolarHBondContact O-N 2.91Å
291	Y	87.3	Confident	82.6	Confident	32 Å²	32	56.4 Å²	56.4	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-42	176.3	-67.4	-36.5	0	0	0	112.3	R287 N293 F294 L295 V313 L394	R287-Y291 HydrophobicContact CG-CD2 4.03Å; R287-Y291 HydrophobicContact CG-CE2 3.65Å; R287-Y291 VanDerWaalsContact NE-CE2 3.31Å; R287-Y291 PolarHBondContact NE-OH 3.45Å; R287-Y291 PolarHBondContact NH2-OH 3.39Å; R287-Y291 PolarHBondContact O-N 2.75Å; Y291-N293 PolarHBondContact O-N 3.46Å; Y291-F294 PolarHBondContact O-N 3.34Å; Y291-L295 WeakPolarHBondContact O-CG 3.4Å; Y291-L295 PolarHBondContact O-N 3.28Å; Y291-V313 HydrophobicContact CD2-CG1 4.17Å; Y291-L394 HydrophobicContact CD1-CD1 3.95Å; Y291-L394 HydrophobicContact CD1-CD2 4.41Å; Y291-L394 HydrophobicContact CE1-CD1 4.13Å; Y291-L394 HydrophobicContact CE1-CD2 3.77Å
292	R	86.9	Confident	82.7	Confident	37 Å²	37	54.9 Å²	54.9	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-57.4	-46	176.9	-177	-173.4	-73.1	111.4	-4.7	111.9	H288 E289 R296 S310 G617	H288-R292 PolarHBondContact CE1-NH2 2.82Å; H288-R292 PolarHBondContact ND1-NH2 3.08Å; H288-R292 VanDerWaalsContact O-CB 3.27Å; H288-R292 WeakPolarHBondContact O-CB 3.37Å; H288-R292 PolarHBondContact O-N 2.78Å; E289-R292 PolarHBondContact O-N 2.84Å; E289-R292 IonicContact OE2-CZ 3.48Å; E289-R292 IonicContact OE2-NH1 2.73Å; E289-R292 PolarHBondContact OE2-NH1 3.39Å; R292-R296 PolarHBondContact O-N 2.97Å; R292-S310 PolarHBondContact NE-OG 2.77Å; R292-S310 PolarHBondContact NH2-OG 2.94Å; R292-G617 PolarHBondContact NH2-O 3Å
293	N	87.9	Confident	82.7	Confident	84 Å²	84	51.5 Å²	51.5	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-71.5	-33.6	177.8	-73.3	-63.3	0	0	0	112.7	E289 Q290 Y291 R296 S297	E289-N293 WeakPolarHBondContact CG-ND2 3.38Å; E289-N293 WeakPolarHBondContact O-CB 3.49Å; E289-N293 PolarHBondContact O-N 3.01Å; E289-N293 PolarHBondContact O-ND2 2.79Å; E289-N293 PolarHBondContact OE1-ND2 3.26Å; Q290-N293 PolarHBondContact O-N 2.75Å; Y291-N293 PolarHBondContact O-N 3.46Å; N293-R296 PolarHBondContact O-N 3.15Å; N293-S297 PolarHBondContact O-N 2.73Å
294	F	89.1	Confident	83	Confident	27 Å²	27	50.7 Å²	50.7	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-46.7	172.5	176.6	-115.3	0	0	0	111.9	Q290 Y291 R296 S297 V298 I339 I340 A341 K365 L394	Q290-F294 WeakPolarHBondContact O-CB 3.32Å; Q290-F294 PolarHBondContact O-N 2.91Å; Y291-F294 PolarHBondContact O-N 3.34Å; F294-R296 PolarHBondContact O-N 3.34Å; F294-S297 WeakPolarHBondContact O-CA 3.4Å; F294-S297 WeakPolarHBondContact O-CB 3.41Å; F294-S297 PolarHBondContact O-N 2.93Å; F294-S297 PolarHBondContact O-OG 3.32Å; F294-V298 HydrophobicContact CE1-CG2 4.49Å; F294-V298 HydrophobicContact CZ-CG2 4.36Å; F294-V298 PolarHBondContact O-N 2.81Å; F294-I339 HydrophobicContact CE1-CG2 3.68Å; F294-I339 HydrophobicContact CZ-CG2 3.92Å; F294-I340 VanDerWaalsContact CZ-O 3.23Å; F294-I340 WeakPolarHBondContact CZ-O 3.26Å; F294-A341 HydrophobicContact CE1-CB 4.17Å; F294-K365 HydrophobicContact CE2-CG 4.14Å; F294-L394 HydrophobicContact CD1-CD1 3.72Å; F294-L394 HydrophobicContact CE1-CD1 3.77Å
295	L	88	Confident	83.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-33.6	173.9	-63.8	-176	0	0	0	112.3	Y291 S297 V298 L301 L309 I312 V313 L316 I339	Y291-L295 WeakPolarHBondContact O-CG 3.4Å; Y291-L295 PolarHBondContact O-N 3.28Å; L295-S297 PolarHBondContact O-N 3.36Å; L295-V298 WeakPolarHBondContact O-CB 3.32Å; L295-V298 PolarHBondContact O-N 3.23Å; L295-V298 VanDerWaalsContact O-N 3.1Å; L295-L301 HydrophobicContact CB-CD1 4.37Å; L295-L301 HydrophobicContact CD2-CD1 3.83Å; L295-L301 HydrophobicContact CG-CD1 4.48Å; L295-L309 HydrophobicContact CB-CD2 4.03Å; L295-L309 HydrophobicContact CD1-CD2 4.34Å; L295-I312 HydrophobicContact CD1-CB 4.23Å; L295-I312 HydrophobicContact CD1-CG2 3.72Å; L295-V313 HydrophobicContact CD1-CG2 3.64Å; L295-L316 HydrophobicContact CD1-CD1 4.04Å; L295-L316 HydrophobicContact CD2-CD1 4.07Å; L295-L316 HydrophobicContact CG-CD1 4.42Å; L295-I339 HydrophobicContact CD2-CD1 3.52Å
296	R	88.3	Confident	83.4	Confident	109 Å²	109	51 Å²	51	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-19.1	171.9	-81	-179.8	171	-109.1	10.3	114	R292 N293 F294 A302 D306 L309	R292-R296 PolarHBondContact O-N 2.97Å; N293-R296 PolarHBondContact O-N 3.15Å; F294-R296 PolarHBondContact O-N 3.34Å; R296-A302 WeakPolarHBondContact O-CA 3.25Å; R296-A302 WeakPolarHBondContact O-CB 3.47Å; R296-D306 IonicContact CZ-OD1 3.65Å; R296-D306 IonicContact NE-OD1 3.76Å; R296-D306 PolarHBondContact NE-OD1 3.01Å; R296-D306 IonicContact NH2-OD1 3.11Å; R296-D306 PolarHBondContact NH2-OD1 3.13Å; R296-D306 IonicContact NH2-OD2 3.31Å; R296-D306 PolarHBondContact NH2-OD2 2.95Å; R296-L309 HydrophobicContact CG-CD1 3.72Å
297	S	87.3	Confident	83.3	Confident	77 Å²	77	51 Å²	51	54%	0.538	26%	0.264	S	S	.	.	H	α-helix	trans	-85.8	-16.3	171.9	74	0	0	0	0	113.8	N293 F294 L295 S299	N293-S297 PolarHBondContact O-N 2.73Å; F294-S297 WeakPolarHBondContact O-CA 3.4Å; F294-S297 WeakPolarHBondContact O-CB 3.41Å; F294-S297 PolarHBondContact O-N 2.93Å; F294-S297 PolarHBondContact O-OG 3.32Å; L295-S297 PolarHBondContact O-N 3.36Å; S297-S299 PolarHBondContact O-N 3.34Å
298	V	85.4	Confident	83.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-78.2	119.7	175.7	-176.5	0	0	0	0	108.9	F294 L295 L300 L301 A302 I339 Y368	F294-V298 HydrophobicContact CE1-CG2 4.49Å; F294-V298 HydrophobicContact CZ-CG2 4.36Å; F294-V298 PolarHBondContact O-N 2.81Å; L295-V298 WeakPolarHBondContact O-CB 3.32Å; L295-V298 PolarHBondContact O-N 3.23Å; L295-V298 VanDerWaalsContact O-N 3.1Å; V298-L300 VanDerWaalsContact C-N 3.27Å; V298-L300 HydrophobicContact CG1-CB 4.48Å; V298-L300 PolarHBondContact O-N 3.45Å; V298-L300 VanDerWaalsContact O-N 3.14Å; V298-L301 HydrophobicContact CB-CB 4.44Å; V298-L301 HydrophobicContact CG1-CD1 4.43Å; V298-L301 HydrophobicContact CG1-CG 4.41Å; V298-L301 PolarHBondContact O-N 2.95Å; V298-A302 PolarHBondContact O-N 2.8Å; V298-I339 HydrophobicContact CG2-CG2 3.66Å; V298-Y368 HydrophobicContact CG1-CD1 3.59Å; V298-Y368 HydrophobicContact CG1-CE1 4.14Å
299	S	80.3	Confident	83.4	Confident	89 Å²	89	48.6 Å²	48.6	62%	0.622	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-36	-171.8	55.5	0	0	0	0	114.5	S297 L301	S297-S299 PolarHBondContact O-N 3.34Å; S299-L301 VanDerWaalsContact C-N 3.3Å; S299-L301 PolarHBondContact O-N 2.93Å
300	L	75.8	Confident	83.4	Confident	13 Å²	13	44.9 Å²	44.9	7%	0.068	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.5	175.8	-179.3	63.9	0	0	0	113.7	V298 F337 Y368 F408 L411 L415	V298-L300 VanDerWaalsContact C-N 3.27Å; V298-L300 HydrophobicContact CG1-CB 4.48Å; V298-L300 PolarHBondContact O-N 3.45Å; V298-L300 VanDerWaalsContact O-N 3.14Å; L300-F337 HydrophobicContact CD2-CE1 4.45Å; L300-F337 HydrophobicContact CD2-CE2 4.25Å; L300-F337 HydrophobicContact CD2-CZ 3.75Å; L300-Y368 HydrophobicContact CB-CD1 4.42Å; L300-Y368 HydrophobicContact CB-CE1 3.8Å; L300-Y368 HydrophobicContact CD2-CE2 4.25Å; L300-F408 HydrophobicContact CD1-CE2 3.85Å; L300-F408 HydrophobicContact CD1-CZ 4.04Å; L300-F408 HydrophobicContact CD2-CE2 3.96Å; L300-L411 HydrophobicContact CD1-CD2 4.22Å; L300-L411 HydrophobicContact CG-CD2 4.32Å; L300-L415 HydrophobicContact CD1-CD1 4.07Å; L300-L415 WeakPolarHBondContact O-CD1 3.37Å
301	L	82.1	Confident	83.1	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-12.2	-170.1	-54.8	176.7	0	0	0	113.1	L295 V298 S299 N303 L304 L309 I312 I339 L411	L295-L301 HydrophobicContact CB-CD1 4.37Å; L295-L301 HydrophobicContact CD2-CD1 3.83Å; L295-L301 HydrophobicContact CG-CD1 4.48Å; V298-L301 HydrophobicContact CB-CB 4.44Å; V298-L301 HydrophobicContact CG1-CD1 4.43Å; V298-L301 HydrophobicContact CG1-CG 4.41Å; V298-L301 PolarHBondContact O-N 2.95Å; S299-L301 VanDerWaalsContact C-N 3.3Å; S299-L301 PolarHBondContact O-N 2.93Å; L301-N303 PolarHBondContact O-N 2.91Å; L301-N303 VanDerWaalsContact O-N 3.07Å; L301-L304 HydrophobicContact CB-CD1 4.27Å; L301-L304 HydrophobicContact CD2-CD1 3.62Å; L301-L304 WeakPolarHBondContact O-CB 3.42Å; L301-L304 PolarHBondContact O-N 3.3Å; L301-L309 HydrophobicContact CB-CD2 4.28Å; L301-I312 HydrophobicContact CD2-CD1 4.31Å; L301-I339 HydrophobicContact CD1-CD1 3.71Å; L301-L411 HydrophobicContact CD2-CD2 4.29Å
302	A	82.4	Confident	82.9	Confident	31 Å²	31	39.9 Å²	39.9	26%	0.256	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-36.8	-175.8	0	0	0	0	0	115.4	R296 V298	R296-A302 WeakPolarHBondContact O-CA 3.25Å; R296-A302 WeakPolarHBondContact O-CB 3.47Å; V298-A302 PolarHBondContact O-N 2.8Å
303	N	80.3	Confident	82.9	Confident	70 Å²	70	38.9 Å²	38.9	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	8.4	-176.5	-66.8	-53.4	0	0	0	114.2	L301 L415 Y418	L301-N303 PolarHBondContact O-N 2.91Å; L301-N303 VanDerWaalsContact O-N 3.07Å; N303-L415 HydrophobicContact CB-CD2 3.84Å; N303-Y418 HydrophobicContact CB-CD1 3.82Å; N303-Y418 HydrophobicContact CB-CE1 3.92Å
304	L	78.9	Confident	82.5	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	20%	0.202	C	C	.	.	S	Bend	trans	-71.4	142.3	178.6	-87.2	173.3	0	0	0	112.4	L301 K308 L309 I312 L411	L301-L304 HydrophobicContact CB-CD1 4.27Å; L301-L304 HydrophobicContact CD2-CD1 3.62Å; L301-L304 WeakPolarHBondContact O-CB 3.42Å; L301-L304 PolarHBondContact O-N 3.3Å; L304-K308 HydrophobicContact CD2-CB 4.1Å; L304-K308 HydrophobicContact CD2-CD 3.79Å; L304-L309 HydrophobicContact CB-CD1 4.38Å; L304-L309 HydrophobicContact CB-CD2 3.81Å; L304-L309 HydrophobicContact CB-CG 3.7Å; L304-L309 HydrophobicContact CD1-CD2 4.12Å; L304-L309 WeakPolarHBondContact O-CD1 3.43Å; L304-I312 HydrophobicContact CD1-CD1 3.6Å; L304-L411 HydrophobicContact CD1-CD1 4.25Å; L304-L411 HydrophobicContact CD2-CD1 3.62Å; L304-L411 HydrophobicContact CG-CD1 4Å
305	P	81.4	Confident	82.2	Confident	45 Å²	45	35.8 Å²	35.8	29%	0.292	20%	0.199	S	C	.	.			trans	-54.9	143.9	168.7	-28	36.5	0	0	0	113	D307 K308 L309	P305-D307 WeakPolarHBondContact CB-OD1 3.49Å; P305-D307 PolarHBondContact O-N 3.24Å; P305-D307 VanDerWaalsContact O-N 3.16Å; P305-K308 PolarHBondContact O-N 3.48Å; P305-L309 PolarHBondContact O-N 3.28Å
306	D	79.8	Confident	82.1	Confident	70 Å²	70	36.7 Å²	36.7	37%	0.374	20%	0.204	S	C	.	.	H	α-helix	trans	-60.6	-27.7	-175.5	-73.8	-57	0	0	0	113.8	R296 S310	R296-D306 IonicContact CZ-OD1 3.65Å; R296-D306 IonicContact NE-OD1 3.76Å; R296-D306 PolarHBondContact NE-OD1 3.01Å; R296-D306 IonicContact NH2-OD1 3.11Å; R296-D306 PolarHBondContact NH2-OD1 3.13Å; R296-D306 IonicContact NH2-OD2 3.31Å; R296-D306 PolarHBondContact NH2-OD2 2.95Å; D306-S310 VanDerWaalsContact O-CB 3.26Å; D306-S310 WeakPolarHBondContact O-CB 3.03Å; D306-S310 PolarHBondContact O-N 2.79Å; D306-S310 PolarHBondContact O-OG 3.44Å
307	D	77	Confident	82	Confident	65 Å²	65	38.2 Å²	38.2	35%	0.348	22%	0.216	S	C	.	.	H	α-helix	trans	-69.1	-42.4	173.4	63.3	-69.5	0	0	0	112	P305 S310 K311 S616	P305-D307 WeakPolarHBondContact CB-OD1 3.49Å; P305-D307 PolarHBondContact O-N 3.24Å; P305-D307 VanDerWaalsContact O-N 3.16Å; D307-S310 PolarHBondContact O-N 3.32Å; D307-K311 WeakPolarHBondContact O-CG 3.36Å; D307-K311 PolarHBondContact O-N 2.98Å; D307-S616 WeakPolarHBondContact CB-OG 3.18Å
308	K	79.4	Confident	82	Confident	56 Å²	56	36.4 Å²	36.4	24%	0.243	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-46.6	173.9	-72	-164.2	172.8	-162.9	0	111.5	L304 P305 S310 K311 I312 V405	L304-K308 HydrophobicContact CD2-CB 4.1Å; L304-K308 HydrophobicContact CD2-CD 3.79Å; P305-K308 PolarHBondContact O-N 3.48Å; K308-S310 VanDerWaalsContact C-N 3.26Å; K308-S310 PolarHBondContact O-N 3.29Å; K308-K311 PolarHBondContact O-N 3.07Å; K308-I312 WeakPolarHBondContact O-CG1 3.35Å; K308-I312 PolarHBondContact O-N 3.13Å; K308-V405 HydrophobicContact CD-CG1 4.38Å; K308-V405 PolarHBondContact NZ-O 2.91Å
309	L	84.3	Confident	82.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.4	-40.6	174	-74.1	175.7	0	0	0	111.6	L295 R296 L301 L304 P305 I312 V313	L295-L309 HydrophobicContact CB-CD2 4.03Å; L295-L309 HydrophobicContact CD1-CD2 4.34Å; R296-L309 HydrophobicContact CG-CD1 3.72Å; L301-L309 HydrophobicContact CB-CD2 4.28Å; L304-L309 HydrophobicContact CB-CD1 4.38Å; L304-L309 HydrophobicContact CB-CD2 3.81Å; L304-L309 HydrophobicContact CB-CG 3.7Å; L304-L309 HydrophobicContact CD1-CD2 4.12Å; L304-L309 WeakPolarHBondContact O-CD1 3.43Å; P305-L309 PolarHBondContact O-N 3.28Å; L309-I312 PolarHBondContact O-N 3.09Å; L309-V313 WeakPolarHBondContact O-CG2 3.4Å; L309-V313 PolarHBondContact O-N 3.08Å
310	S	83.2	Confident	82.9	Confident	7 Å²	7	42.4 Å²	42.4	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-38.7	179	-54.4	0	0	0	0	112.5	R292 D306 D307 K308 V313 D314	R292-S310 PolarHBondContact NE-OG 2.77Å; R292-S310 PolarHBondContact NH2-OG 2.94Å; D306-S310 VanDerWaalsContact O-CB 3.26Å; D306-S310 WeakPolarHBondContact O-CB 3.03Å; D306-S310 PolarHBondContact O-N 2.79Å; D306-S310 PolarHBondContact O-OG 3.44Å; D307-S310 PolarHBondContact O-N 3.32Å; K308-S310 VanDerWaalsContact C-N 3.26Å; K308-S310 PolarHBondContact O-N 3.29Å; S310-V313 PolarHBondContact O-N 3.33Å; S310-D314 PolarHBondContact O-N 2.91Å
311	K	80.4	Confident	83.7	Confident	48 Å²	48	43.2 Å²	43.2	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-37.6	172	-66.4	-170.4	-179.5	-172.4	0	112.5	D307 K308 D314 C315 T404 N710 L711	D307-K311 WeakPolarHBondContact O-CG 3.36Å; D307-K311 PolarHBondContact O-N 2.98Å; K308-K311 PolarHBondContact O-N 3.07Å; K311-D314 PolarHBondContact O-N 2.7Å; K311-C315 PolarHBondContact O-N 3.08Å; K311-C315 PolarHBondContact O-SG 3.03Å; K311-T404 HydrophobicContact CB-CG2 3.42Å; K311-T404 VanDerWaalsContact CB-CG2 3.42Å; K311-T404 HydrophobicContact CD-CG2 4.16Å; K311-T404 HydrophobicContact CG-CG2 4.46Å; K311-N710 PolarHBondContact NZ-O 3.32Å; K311-L711 PolarHBondContact NZ-O 3.13Å
312	I	83.1	Confident	84.3	Confident	3 Å²	3	47 Å²	47	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-49	173.8	-65.7	166.4	0	0	0	109.8	L295 L301 L304 K308 L309 D314 C315 L316 V405	L295-I312 HydrophobicContact CD1-CB 4.23Å; L295-I312 HydrophobicContact CD1-CG2 3.72Å; L301-I312 HydrophobicContact CD2-CD1 4.31Å; L304-I312 HydrophobicContact CD1-CD1 3.6Å; K308-I312 WeakPolarHBondContact O-CG1 3.35Å; K308-I312 PolarHBondContact O-N 3.13Å; L309-I312 PolarHBondContact O-N 3.09Å; I312-D314 PolarHBondContact O-N 2.89Å; I312-C315 CarbonylContact O-C 3.41Å; I312-C315 WeakPolarHBondContact O-CA 3.41Å; I312-C315 WeakPolarHBondContact O-CB 3.22Å; I312-C315 PolarHBondContact O-N 3.12Å; I312-L316 HydrophobicContact CG2-CD1 4.25Å; I312-L316 HydrophobicContact CG2-CD2 4.26Å; I312-L316 HydrophobicContact CG2-CG 4.1Å; I312-L316 WeakPolarHBondContact O-CG 3.25Å; I312-L316 PolarHBondContact O-N 3.23Å; I312-V405 HydrophobicContact CD1-CG2 3.7Å; I312-V405 HydrophobicContact CG1-CG2 3.48Å; I312-V405 VanDerWaalsContact CG1-CG2 3.48Å
313	V	86.1	Confident	85	Confident	15 Å²	15	51.7 Å²	51.7	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-31.6	177.6	175.1	0	0	0	0	112.6	H288 Y291 L295 L309 S310 C315	H288-V313 HydrophobicContact CB-CG1 4.28Å; Y291-V313 HydrophobicContact CD2-CG1 4.17Å; L295-V313 HydrophobicContact CD1-CG2 3.64Å; L309-V313 WeakPolarHBondContact O-CG2 3.4Å; L309-V313 PolarHBondContact O-N 3.08Å; S310-V313 PolarHBondContact O-N 3.33Å; V313-C315 VanDerWaalsContact C-N 3.27Å; V313-C315 PolarHBondContact O-N 3.09Å
314	D	80.8	Confident	85.4	Confident	36 Å²	36	50.4 Å²	50.4	19%	0.193	26%	0.255	C	S	.	.	H	α-helix	trans	-72.9	-14.4	172.9	-81.3	-7.4	0	0	0	114.2	H288 S310 K311 I312 K619	H288-D314 IonicContact CD2-OD1 2.73Å; H288-D314 IonicContact NE2-OD1 2.74Å; S310-D314 PolarHBondContact O-N 2.91Å; K311-D314 PolarHBondContact O-N 2.7Å; I312-D314 PolarHBondContact O-N 2.89Å; D314-K619 VanDerWaalsContact OD1-CE 3.28Å; D314-K619 WeakPolarHBondContact OD1-CE 3.34Å; D314-K619 IonicContact OD1-NZ 3.77Å; D314-K619 PolarHBondContact OD1-NZ 2.56Å; D314-K619 WeakPolarHBondContact OD2-CE 3.04Å; D314-K619 IonicContact OD2-NZ 3.69Å; D314-K619 PolarHBondContact OD2-NZ 3.16Å
315	C	82.9	Confident	86.2	Confident	10 Å²	10	54.8 Å²	54.8	7%	0.068	28%	0.276	C	S	.	.	H	α-helix	trans	-102.4	-17	176.8	-65.6	0	0	0	0	114.8	K311 I312 V313 E317 I396 T400 T404 A705	K311-C315 PolarHBondContact O-N 3.08Å; K311-C315 PolarHBondContact O-SG 3.03Å; I312-C315 CarbonylContact O-C 3.41Å; I312-C315 WeakPolarHBondContact O-CA 3.41Å; I312-C315 WeakPolarHBondContact O-CB 3.22Å; I312-C315 PolarHBondContact O-N 3.12Å; V313-C315 VanDerWaalsContact C-N 3.27Å; V313-C315 PolarHBondContact O-N 3.09Å; C315-E317 PolarHBondContact O-N 3.2Å; C315-I396 HydrophobicContact CB-CD1 3.61Å; C315-I396 HydrophobicContact CB-CG1 4.29Å; C315-T400 HydrophobicContact CB-CG2 3.67Å; C315-T400 WeakPolarHBondContact SG-CG2 3.37Å; C315-T404 PolarHBondContact SG-OG1 2.66Å; C315-T404 VanDerWaalsContact SG-OG1 3.4Å; C315-A705 WeakPolarHBondContact SG-CB 3.36Å
316	L	85.4	Confident	86.7	Confident	20 Å²	20	56.8 Å²	56.8	11%	0.105	28%	0.278	C	S	.	.			trans	-70.7	119	-171.8	-74.3	173.7	0	0	0	112.1	L295 I312 L394 I396	L295-L316 HydrophobicContact CD1-CD1 4.04Å; L295-L316 HydrophobicContact CD2-CD1 4.07Å; L295-L316 HydrophobicContact CG-CD1 4.42Å; I312-L316 HydrophobicContact CG2-CD1 4.25Å; I312-L316 HydrophobicContact CG2-CD2 4.26Å; I312-L316 HydrophobicContact CG2-CG 4.1Å; I312-L316 WeakPolarHBondContact O-CG 3.25Å; I312-L316 PolarHBondContact O-N 3.23Å; L316-L394 HydrophobicContact CD1-CB 4.19Å; L316-L394 HydrophobicContact CD1-CD1 4.08Å; L316-L394 HydrophobicContact CD2-CB 4.03Å; L316-I396 HydrophobicContact CD2-CB 4.25Å; L316-I396 HydrophobicContact CD2-CG2 4.46Å
317	E	85.4	Confident	87.2	Confident	141 Å²	141	54 Å²	54	66%	0.659	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	164.5	163	-56.2	-150.5	130.6	0	0	110.1	C315 L394 V395	C315-E317 PolarHBondContact O-N 3.2Å; E317-L394 WeakPolarHBondContact O-CA 3.49Å; E317-V395 PolarHBondContact N-O 3.07Å; E317-V395 PolarHBondContact O-N 2.87Å
318	V	87.6	Confident	87.7	Confident	38 Å²	38	51.1 Å²	51.1	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	114.2	-177.7	-173	0	0	0	0	108.9	Y320 E392 C393 L394	V318-Y320 HydrophobicContact CG1-CE2 3.77Å; V318-E392 HydrophobicContact CG1-CG 3.5Å; V318-E392 VanDerWaalsContact CG1-CG 3.5Å; V318-C393 WeakPolarHBondContact CA-O 3.29Å; V318-L394 HydrophobicContact CG1-CD2 4.33Å; V318-L394 HydrophobicContact CG2-CD2 3.87Å
319	E	92.1	Very high	88.1	Confident	72 Å²	72	54.3 Å²	54.3	34%	0.336	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.4	178.1	-62.4	-168.2	126.8	0	0	110	Y321 Y338 C393 V395	E319-Y321 HydrophobicContact CB-CE2 3.76Å; E319-Y321 PolarHBondContact OE2-OH 2.82Å; E319-Y338 WeakPolarHBondContact OE2-CE1 3.49Å; E319-C393 PolarHBondContact N-O 3.47Å; E319-C393 PolarHBondContact O-N 2.71Å; E319-V395 HydrophobicContact CB-CG2 4.02Å; E319-V395 HydrophobicContact CG-CG2 3.81Å
320	Y	92.6	Very high	88.1	Confident	143 Å²	143	57.4 Å²	57.4	56%	0.561	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.3	-179.8	-65.2	-85.9	0	0	0	109.9	V318 V391 E392	V318-Y320 HydrophobicContact CG1-CE2 3.77Å; Y320-V391 VanDerWaalsContact CA-O 3.31Å; Y320-V391 WeakPolarHBondContact CA-O 3.47Å; Y320-E392 HydrophobicContact CD1-CB 4.09Å; Y320-E392 HydrophobicContact CD1-CG 4.19Å; Y320-E392 HydrophobicContact CE1-CB 3.84Å; Y320-E392 HydrophobicContact CE1-CG 3.63Å
321	Y	93.4	Very high	87.8	Confident	31 Å²	31	59.4 Å²	59.4	12%	0.122	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.9	-178.5	-62	-85.9	0	0	0	111.4	E319 E325 V327 G390 V391 C393	E319-Y321 HydrophobicContact CB-CE2 3.76Å; E319-Y321 PolarHBondContact OE2-OH 2.82Å; Y321-E325 WeakPolarHBondContact CA-OE2 3.46Å; Y321-E325 HydrophobicContact CD1-CB 4.37Å; Y321-V327 HydrophobicContact CD1-CG2 3.99Å; Y321-V327 HydrophobicContact CD2-CG1 4.39Å; Y321-V327 HydrophobicContact CD2-CG2 3.74Å; Y321-V327 HydrophobicContact CE1-CB 4.33Å; Y321-V327 HydrophobicContact CE1-CG1 4.36Å; Y321-V327 HydrophobicContact CE1-CG2 4.15Å; Y321-V327 HydrophobicContact CE2-CB 4.29Å; Y321-V327 HydrophobicContact CE2-CG1 3.72Å; Y321-V327 HydrophobicContact CE2-CG2 3.9Å; Y321-V327 HydrophobicContact CG-CG2 3.77Å; Y321-G390 PolarHBondContact O-N 3.46Å; Y321-V391 PolarHBondContact N-O 2.98Å; Y321-V391 PolarHBondContact O-N 3.41Å; Y321-C393 HydrophobicContact CE2-CB 4.26Å
322	D	94.6	Very high	87.8	Confident	80 Å²	80	60.2 Å²	60.2	43%	0.428	30%	0.299	S	S	.	.			trans	-99	163.1	175.1	-89.9	-23.7	0	0	0	112.9	G324 E325 A386 N389 G390	D322-G324 PolarHBondContact O-N 2.9Å; D322-E325 PolarHBondContact N-OE2 2.96Å; D322-E325 VanDerWaalsContact O-CB 3.27Å; D322-E325 WeakPolarHBondContact O-CB 3.32Å; D322-E325 WeakPolarHBondContact O-CG 3.37Å; D322-E325 PolarHBondContact O-N 2.88Å; D322-A386 WeakPolarHBondContact O-CB 3.47Å; D322-N389 WeakPolarHBondContact OD1-CA 3.45Å; D322-N389 WeakPolarHBondContact OD1-CB 3.48Å; D322-G390 PolarHBondContact OD1-N 2.91Å
323	K	95.6	Very high	87.2	Confident	130 Å²	130	68.6 Å²	68.6	57%	0.565	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	123.6	-168.6	-177.8	172.4	-176.2	125.8	0	112.7	D387 E388 N389	K323-D387 VanDerWaalsContact CD-O 3.29Å; K323-D387 WeakPolarHBondContact CD-O 3.49Å; K323-D387 VanDerWaalsContact CE-O 3.24Å; K323-D387 WeakPolarHBondContact CE-O 3.48Å; K323-D387 PolarHBondContact NZ-O 3.08Å; K323-D387 IonicContact NZ-OD1 2.78Å; K323-E388 PolarHBondContact N-O 2.92Å; K323-N389 WeakPolarHBondContact CB-OD1 3.43Å; K323-N389 PolarHBondContact N-OD1 3.1Å; K323-N389 VanDerWaalsContact N-OD1 3.08Å
324	G	90.7	Very high	86.4	Confident	43 Å²	43	69 Å²	69	44%	0.443	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-6.7	-178.9	0	0	0	0	0	114.3	D322 A386	D322-G324 PolarHBondContact O-N 2.9Å; G324-A386 PolarHBondContact N-O 3.49Å
325	E	94.4	Very high	86	Confident	98 Å²	98	69.7 Å²	69.7	46%	0.458	35%	0.353	S	S	.	.			trans	-70	145.1	170	-64	-168.6	132.3	0	0	111.1	Y321 D322 I385 A386	Y321-E325 WeakPolarHBondContact CA-OE2 3.46Å; Y321-E325 HydrophobicContact CD1-CB 4.37Å; D322-E325 PolarHBondContact N-OE2 2.96Å; D322-E325 VanDerWaalsContact O-CB 3.27Å; D322-E325 WeakPolarHBondContact O-CB 3.32Å; D322-E325 WeakPolarHBondContact O-CG 3.37Å; D322-E325 PolarHBondContact O-N 2.88Å; E325-I385 CarbonylContact O-C 3.54Å; E325-I385 VanDerWaalsContact O-CA 3.31Å; E325-I385 WeakPolarHBondContact O-CA 3.49Å; E325-I385 WeakPolarHBondContact O-CG2 3.19Å; E325-A386 PolarHBondContact O-N 3.47Å
326	Y	91.8	Very high	86	Confident	87 Å²	87	70.8 Å²	70.8	34%	0.341	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	115.8	179.6	-75.1	-117.1	0	0	0	108.5	R329 N383 I384 I385	Y326-R329 HydrophobicContact CD1-CG 3.99Å; Y326-R329 HydrophobicContact CG-CG 4.38Å; Y326-N383 HydrophobicContact CD1-CB 4.03Å; Y326-N383 HydrophobicContact CE1-CB 3.92Å; Y326-I384 CarbonylContact C-O 3.58Å; Y326-I384 WeakPolarHBondContact CA-O 3.31Å; Y326-I385 HydrophobicContact CD1-CD1 4.18Å; Y326-I385 HydrophobicContact CD1-CG1 3.79Å; Y326-I385 HydrophobicContact CD2-CG1 4.25Å; Y326-I385 HydrophobicContact CE1-CD1 3.6Å; Y326-I385 HydrophobicContact CE1-CG1 3.76Å; Y326-I385 HydrophobicContact CE2-CD1 4.04Å; Y326-I385 HydrophobicContact CE2-CG1 4.21Å; Y326-I385 HydrophobicContact CG-CG1 4.05Å
327	V	90.9	Very high	86	Confident	10 Å²	10	69.9 Å²	69.9	6%	0.061	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-36.4	169.7	-171.7	0	0	0	0	110.2	Y321 Y338 V345 F369 I384	Y321-V327 HydrophobicContact CD1-CG2 3.99Å; Y321-V327 HydrophobicContact CD2-CG1 4.39Å; Y321-V327 HydrophobicContact CD2-CG2 3.74Å; Y321-V327 HydrophobicContact CE1-CB 4.33Å; Y321-V327 HydrophobicContact CE1-CG1 4.36Å; Y321-V327 HydrophobicContact CE1-CG2 4.15Å; Y321-V327 HydrophobicContact CE2-CB 4.29Å; Y321-V327 HydrophobicContact CE2-CG1 3.72Å; Y321-V327 HydrophobicContact CE2-CG2 3.9Å; Y321-V327 HydrophobicContact CG-CG2 3.77Å; V327-Y338 HydrophobicContact CG1-CD1 3.82Å; V327-Y338 HydrophobicContact CG1-CE1 3.71Å; V327-Y338 HydrophobicContact CG1-CG 4.36Å; V327-V345 HydrophobicContact CG2-CG1 4.5Å; V327-F369 HydrophobicContact CB-CE2 4.4Å; V327-F369 HydrophobicContact CB-CZ 4.37Å; V327-F369 HydrophobicContact CG1-CE2 3.77Å; V327-F369 HydrophobicContact CG1-CZ 3.79Å; V327-I384 HydrophobicContact CB-CB 4.22Å; V327-I384 HydrophobicContact CB-CG2 4.1Å; V327-I384 HydrophobicContact CG2-CG2 4.28Å; V327-I384 PolarHBondContact N-O 3.26Å
328	I	88.2	Confident	86.2	Confident	6 Å²	6	64 Å²	64	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.4	177.5	-70.5	178.5	0	0	0	108.6	E332 Y338 F369 R380 A382 N383 I384	I328-E332 VanDerWaalsContact CA-OE1 3.31Å; I328-E332 WeakPolarHBondContact CA-OE1 3.36Å; I328-E332 WeakPolarHBondContact CG2-OE1 3.29Å; I328-Y338 HydrophobicContact CD1-CD2 4.04Å; I328-Y338 HydrophobicContact CD1-CE2 3.96Å; I328-Y338 HydrophobicContact CG1-CE2 4.14Å; I328-F369 HydrophobicContact CD1-CD2 3.66Å; I328-F369 HydrophobicContact CD1-CE2 3.83Å; I328-F369 HydrophobicContact CG1-CE2 4.35Å; I328-R380 HydrophobicContact CG2-CB 3.66Å; I328-R380 HydrophobicContact CG2-CG 3.66Å; I328-A382 WeakPolarHBondContact CG2-O 3.2Å; I328-N383 CarbonylContact O-C 3.6Å; I328-N383 VanDerWaalsContact O-CA 3.29Å; I328-N383 WeakPolarHBondContact O-CA 3.45Å; I328-I384 HydrophobicContact CB-CB 4Å; I328-I384 HydrophobicContact CB-CG1 3.89Å; I328-I384 HydrophobicContact CD1-CG1 4.11Å; I328-I384 HydrophobicContact CG1-CG1 4.35Å; I328-I384 HydrophobicContact CG2-CG1 4.45Å; I328-I384 PolarHBondContact N-O 2.87Å; I328-I384 PolarHBondContact O-N 2.87Å
329	R	87.6	Confident	86.4	Confident	123 Å²	123	62.2 Å²	62.2	46%	0.464	32%	0.316	S	S	.	.			trans	-108.9	142	170	-53.2	-171.3	167.5	-73.9	-6.6	111.3	Y326 G331 E332 R380	Y326-R329 HydrophobicContact CD1-CG 3.99Å; Y326-R329 HydrophobicContact CG-CG 4.38Å; R329-G331 PolarHBondContact O-N 3.22Å; R329-E332 VanDerWaalsContact CB-OE2 3.32Å; R329-E332 WeakPolarHBondContact CB-OE2 3.42Å; R329-E332 VanDerWaalsContact N-CD 3.26Å; R329-E332 PolarHBondContact N-OE1 2.62Å; R329-E332 PolarHBondContact N-OE2 2.98Å; R329-E332 WeakPolarHBondContact O-CG 3.48Å; R329-E332 PolarHBondContact O-N 3.14Å; R329-R380 VanDerWaalsContact O-CB 3.31Å; R329-R380 WeakPolarHBondContact O-CB 3.33Å
330	Q	83.8	Confident	86.3	Confident	64 Å²	64	58.8 Å²	58.8	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	130.8	174.1	-177.9	175.9	-7.2	0	0	110.4	T350 R380 N383	Q330-T350 PolarHBondContact NE2-O 3.07Å; Q330-R380 CarbonylContact C-O 3.5Å; Q330-R380 WeakPolarHBondContact CA-O 3.34Å; Q330-N383 PolarHBondContact N-OD1 3.49Å
331	G	76.8	Confident	86.2	Confident	49 Å²	49	52.4 Å²	52.4	51%	0.505	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	-2.6	176.8	0	0	0	0	0	115.8	R329 R380	R329-G331 PolarHBondContact O-N 3.22Å; G331-R380 PolarHBondContact N-O 2.87Å
332	E	79.3	Confident	86.2	Confident	65 Å²	65	56 Å²	56	30%	0.304	30%	0.295	S	S	.	.			trans	-77.8	152.4	170.8	79.3	-161.1	170.6	0	0	111.2	I328 R329 V379 R380	I328-E332 VanDerWaalsContact CA-OE1 3.31Å; I328-E332 WeakPolarHBondContact CA-OE1 3.36Å; I328-E332 WeakPolarHBondContact CG2-OE1 3.29Å; R329-E332 VanDerWaalsContact CB-OE2 3.32Å; R329-E332 WeakPolarHBondContact CB-OE2 3.42Å; R329-E332 VanDerWaalsContact N-CD 3.26Å; R329-E332 PolarHBondContact N-OE1 2.62Å; R329-E332 PolarHBondContact N-OE2 2.98Å; R329-E332 WeakPolarHBondContact O-CG 3.48Å; R329-E332 PolarHBondContact O-N 3.14Å; E332-V379 CarbonylContact O-C 3.59Å; E332-V379 WeakPolarHBondContact O-CA 3.12Å; E332-R380 HydrophobicContact CG-CB 4.19Å; E332-R380 HydrophobicContact CG-CG 3.64Å; E332-R380 WeakPolarHBondContact O-CG 3.29Å; E332-R380 PolarHBondContact O-N 3.42Å
333	E	72	Confident	86.1	Confident	179 Å²	179	53 Å²	53	84%	0.836	28%	0.282	S	S	*	.			trans	-75.8	135.1	163.8	-68.4	175.5	-165.2	0	0	108.8	V379	E333-V379 HydrophobicContact CG-CG1 4.18Å
334	G	67.9	Low	86.1	Confident	25 Å²	25	51 Å²	51	26%	0.258	27%	0.273	S	S	.	.			trans	-158.7	137.4	178	0	0	0	0	0	112.3	A373	G334-A373 WeakPolarHBondContact O-CB 3.46Å
335	S	73.3	Confident	86.3	Confident	50 Å²	50	48.9 Å²	48.9	35%	0.35	25%	0.252	S	S	.	.			trans	-109.7	2.5	-176	56.6	0	0	0	0	113.8	R398	S335-R398 WeakPolarHBondContact O-CB 3.44Å; S335-R398 PolarHBondContact O-N 2.9Å
336	T	82.9	Confident	86.3	Confident	32 Å²	32	47.6 Å²	47.6	20%	0.196	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.2	-174.8	45	0	0	0	0	113.6	Y338 R380 V395 D397	T336-Y338 WeakPolarHBondContact OG1-CE2 3.42Å; T336-Y338 PolarHBondContact OG1-OH 3.34Å; T336-R380 PolarHBondContact O-NH1 2.57Å; T336-R380 PolarHBondContact O-NH2 3.01Å; T336-R380 PolarHBondContact OG1-NH2 3.23Å; T336-V395 HydrophobicContact CG2-CG1 4.22Å; T336-D397 HydrophobicContact CG2-CB 4.07Å
337	F	85.3	Confident	86.2	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.7	173.5	171.9	-118.8	0	0	0	110	L300 I339 Y368 F369 E371 L374 V395 I396	L300-F337 HydrophobicContact CD2-CE1 4.45Å; L300-F337 HydrophobicContact CD2-CE2 4.25Å; L300-F337 HydrophobicContact CD2-CZ 3.75Å; F337-I339 HydrophobicContact CD1-CG1 4.47Å; F337-I339 HydrophobicContact CE1-CD1 3.91Å; F337-I339 HydrophobicContact CE1-CG1 3.74Å; F337-I339 HydrophobicContact CZ-CD1 4.41Å; F337-I339 HydrophobicContact CZ-CG1 3.94Å; F337-Y368 AromaticContact CE2-CD2 3.7Å; F337-Y368 HydrophobicContact CE2-CD2 3.7Å; F337-Y368 AromaticContact CE2-CG 3.96Å; F337-Y368 HydrophobicContact CE2-CG 3.96Å; F337-Y368 HydrophobicContact CZ-CD2 4.12Å; F337-Y368 HydrophobicContact CZ-CG 4.01Å; F337-F369 WeakPolarHBondContact CD2-O 3.49Å; F337-E371 HydrophobicContact CD2-CB 4.08Å; F337-E371 HydrophobicContact CE2-CB 3.91Å; F337-L374 HydrophobicContact CB-CD1 3.75Å; F337-L374 HydrophobicContact CB-CD2 3.94Å; F337-L374 HydrophobicContact CB-CG 3.92Å; F337-L374 HydrophobicContact CD1-CD1 4.07Å; F337-L374 HydrophobicContact CD2-CD1 4.23Å; F337-L374 HydrophobicContact CG-CD1 3.76Å; F337-L374 HydrophobicContact CG-CG 4.41Å; F337-V395 WeakPolarHBondContact O-CA 3.37Å; F337-I396 HydrophobicContact CB-CG2 4.19Å; F337-I396 HydrophobicContact CD1-CG2 3.79Å; F337-I396 HydrophobicContact CG-CG2 4.49Å; F337-I396 PolarHBondContact N-O 2.57Å; F337-I396 PolarHBondContact O-N 3.17Å; F337-I396 VanDerWaalsContact O-N 3.08Å
338	Y	89.6	Confident	86	Confident	16 Å²	16	44.2 Å²	44.2	6%	0.063	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.2	-171.7	-63.1	-97.2	0	0	0	111.4	E319 V327 I328 T336 Y368 F369 C393 L394 V395	E319-Y338 WeakPolarHBondContact OE2-CE1 3.49Å; V327-Y338 HydrophobicContact CG1-CD1 3.82Å; V327-Y338 HydrophobicContact CG1-CE1 3.71Å; V327-Y338 HydrophobicContact CG1-CG 4.36Å; I328-Y338 HydrophobicContact CD1-CD2 4.04Å; I328-Y338 HydrophobicContact CD1-CE2 3.96Å; I328-Y338 HydrophobicContact CG1-CE2 4.14Å; T336-Y338 WeakPolarHBondContact OG1-CE2 3.42Å; T336-Y338 PolarHBondContact OG1-OH 3.34Å; Y338-Y368 CarbonylContact O-C 3.55Å; Y338-Y368 WeakPolarHBondContact O-CA 3.45Å; Y338-Y368 VanDerWaalsContact O-CB 3.29Å; Y338-Y368 WeakPolarHBondContact O-CB 3.31Å; Y338-F369 VanDerWaalsContact CB-CZ 3.42Å; Y338-F369 HydrophobicContact CD1-CE2 4.15Å; Y338-F369 HydrophobicContact CD1-CZ 4.28Å; Y338-F369 AromaticContact CD2-CD2 3.95Å; Y338-F369 HydrophobicContact CD2-CD2 3.95Å; Y338-F369 AromaticContact CD2-CE2 3.55Å; Y338-F369 HydrophobicContact CD2-CE2 3.55Å; Y338-F369 HydrophobicContact CD2-CZ 4.4Å; Y338-F369 HydrophobicContact CE2-CE2 4.42Å; Y338-F369 HydrophobicContact CG-CD2 4.1Å; Y338-F369 AromaticContact CG-CE2 3.41Å; Y338-F369 HydrophobicContact CG-CE2 3.41Å; Y338-F369 VanDerWaalsContact CG-CE2 3.41Å; Y338-F369 AromaticContact CG-CZ 3.81Å; Y338-F369 HydrophobicContact CG-CZ 3.81Å; Y338-F369 PolarHBondContact N-O 2.97Å; Y338-F369 PolarHBondContact O-N 2.93Å; Y338-C393 HydrophobicContact CD1-CB 4.03Å; Y338-L394 WeakPolarHBondContact CA-O 3.49Å; Y338-V395 HydrophobicContact CD1-CB 4.35Å; Y338-V395 HydrophobicContact CD1-CG1 3.99Å; Y338-V395 HydrophobicContact CD1-CG2 3.57Å; Y338-V395 HydrophobicContact CE1-CB 4.31Å; Y338-V395 HydrophobicContact CE1-CG1 3.64Å; Y338-V395 HydrophobicContact CE1-CG2 3.66Å
339	I	91	Very high	85.8	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127	174	-50.6	174.2	0	0	0	108.3	F294 L295 V298 L301 F337 A341 C393 L394	F294-I339 HydrophobicContact CE1-CG2 3.68Å; F294-I339 HydrophobicContact CZ-CG2 3.92Å; L295-I339 HydrophobicContact CD2-CD1 3.52Å; V298-I339 HydrophobicContact CG2-CG2 3.66Å; L301-I339 HydrophobicContact CD1-CD1 3.71Å; F337-I339 HydrophobicContact CD1-CG1 4.47Å; F337-I339 HydrophobicContact CE1-CD1 3.91Å; F337-I339 HydrophobicContact CE1-CG1 3.74Å; F337-I339 HydrophobicContact CZ-CD1 4.41Å; F337-I339 HydrophobicContact CZ-CG1 3.94Å; I339-A341 PolarHBondContact O-N 3.25Å; I339-C393 WeakPolarHBondContact O-CA 3.36Å; I339-L394 HydrophobicContact CB-CB 4.41Å; I339-L394 PolarHBondContact N-O 2.78Å; I339-L394 PolarHBondContact O-N 2.92Å
340	I	91.8	Very high	85.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	105.7	-176.1	-54.8	171.4	0	0	0	109.5	F294 V345 L363 K365 G366 D367 F369	F294-I340 VanDerWaalsContact CZ-O 3.23Å; F294-I340 WeakPolarHBondContact CZ-O 3.26Å; I340-V345 HydrophobicContact CD1-CG2 3.65Å; I340-L363 HydrophobicContact CD1-CB 3.59Å; I340-K365 VanDerWaalsContact O-CA 3.3Å; I340-K365 WeakPolarHBondContact O-CA 3.12Å; I340-G366 PolarHBondContact O-N 3.03Å; I340-D367 HydrophobicContact CD1-CB 4.4Å; I340-D367 PolarHBondContact N-O 3.42Å; I340-F369 HydrophobicContact CD1-CD1 4.25Å; I340-F369 HydrophobicContact CD1-CE1 3.96Å; I340-F369 HydrophobicContact CG1-CD1 4.27Å; I340-F369 HydrophobicContact CG1-CE1 3.73Å
341	A	90.4	Very high	85	Confident	8 Å²	8	43.1 Å²	43.1	7%	0.066	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-31.1	174.7	0	0	0	0	0	112.8	F294 I339 K365 E392 L394	F294-A341 HydrophobicContact CE1-CB 4.17Å; I339-A341 PolarHBondContact O-N 3.25Å; A341-K365 VanDerWaalsContact O-CD 3.24Å; A341-K365 WeakPolarHBondContact O-CD 3.39Å; A341-K365 VanDerWaalsContact O-CE 3.23Å; A341-K365 WeakPolarHBondContact O-CE 3.42Å; A341-K365 WeakPolarHBondContact O-CG 3.34Å; A341-K365 PolarHBondContact O-NZ 2.83Å; A341-E392 HydrophobicContact CB-CB 4.27Å; A341-E392 HydrophobicContact CB-CG 4.06Å; A341-E392 PolarHBondContact N-O 3.24Å; A341-L394 HydrophobicContact CB-CD1 4.15Å; A341-L394 HydrophobicContact CB-CD2 3.95Å; A341-L394 HydrophobicContact CB-CG 3.8Å
342	Q	92.2	Very high	84.6	Confident	108 Å²	108	50.8 Å²	50.8	51%	0.505	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	145.8	176.2	-173.2	170.8	-76.1	0	0	111.5	V391 E392	Q342-V391 WeakPolarHBondContact O-CA 3.34Å; Q342-E392 HydrophobicContact CB-CB 3.81Å; Q342-E392 PolarHBondContact N-O 3.38Å; Q342-E392 PolarHBondContact O-N 3.15Å
343	G	92.9	Very high	84	Confident	15 Å²	15	51.7 Å²	51.7	16%	0.155	28%	0.282	C	S	.	.	S	Bend	trans	86.1	-160.5	173.7	0	0	0	0	0	114.3	K365 E388	G343-K365 PolarHBondContact O-N 2.83Å; G343-E388 VanDerWaalsContact C-OE1 3.24Å; G343-E388 WeakPolarHBondContact CA-OE1 3.46Å
344	K	94.8	Very high	83.7	Confident	88 Å²	88	49.9 Å²	49.9	38%	0.383	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	146	-175.6	-67.8	179.7	178.1	177.2	0	112.7	T362 L363 Q364 D387 E388 V391	K344-T362 HydrophobicContact CB-CG2 4.5Å; K344-L363 VanDerWaalsContact CA-O 3.28Å; K344-L363 WeakPolarHBondContact CA-O 3.21Å; K344-Q364 HydrophobicContact CG-CB 3.88Å; K344-D387 PolarHBondContact O-N 2.95Å; K344-E388 WeakPolarHBondContact CB-OE1 3.27Å; K344-E388 WeakPolarHBondContact CG-OE1 3.43Å; K344-E388 PolarHBondContact N-OE1 2.76Å; K344-V391 WeakPolarHBondContact O-CG2 3.5Å
345	V	95	Very high	83.6	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.9	174.5	-56.3	0	0	0	0	111.1	V327 I340 T362 L363 F369 I384 I385 V391	V327-V345 HydrophobicContact CG2-CG1 4.5Å; I340-V345 HydrophobicContact CD1-CG2 3.65Å; V345-T362 CarbonylContact O-C 3.43Å; V345-T362 WeakPolarHBondContact O-CA 3.27Å; V345-L363 HydrophobicContact CG2-CB 3.84Å; V345-L363 HydrophobicContact CG2-CD1 4.46Å; V345-L363 PolarHBondContact N-O 2.9Å; V345-L363 PolarHBondContact O-N 3.07Å; V345-F369 HydrophobicContact CG2-CD1 4.39Å; V345-F369 HydrophobicContact CG2-CE1 4.01Å; V345-I384 HydrophobicContact CB-CG2 3.66Å; V345-I384 HydrophobicContact CG1-CG2 4.11Å; V345-I384 HydrophobicContact CG2-CG2 3.51Å; V345-I385 CarbonylContact C-O 3.58Å; V345-I385 VanDerWaalsContact CA-O 3.22Å; V345-I385 WeakPolarHBondContact CA-O 3.31Å; V345-I385 WeakPolarHBondContact CB-O 3.42Å; V345-V391 HydrophobicContact CG1-CG1 3.85Å
346	K	94.1	Very high	83.6	Confident	71 Å²	71	64.4 Å²	64.4	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132	170.5	-82.4	168.4	172.3	151.9	0	110.1	T359 I385 D387	K346-T359 HydrophobicContact CB-CG2 4.38Å; K346-T359 HydrophobicContact CG-CG2 4.22Å; K346-I385 PolarHBondContact N-O 3.46Å; K346-I385 PolarHBondContact O-N 3.05Å; K346-D387 HydrophobicContact CD-CB 4.19Å; K346-D387 VanDerWaalsContact CE-CG 3.43Å; K346-D387 WeakPolarHBondContact CE-OD1 3.28Å; K346-D387 WeakPolarHBondContact CE-OD2 3.3Å; K346-D387 HydrophobicContact CG-CB 4.24Å; K346-D387 IonicContact NZ-OD1 3.66Å; K346-D387 PolarHBondContact NZ-OD1 3.24Å; K346-D387 IonicContact NZ-OD2 2.72Å; K346-D387 PolarHBondContact NZ-OD2 3.03Å
347	V	91.2	Very high	83.4	Confident	15 Å²	15	65.6 Å²	65.6	9%	0.091	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	119.6	172.3	-169.9	0	0	0	0	107.6	T359 I360 N361 L363 A382 N383 I384	V347-T359 WeakPolarHBondContact O-CA 3.35Å; V347-I360 HydrophobicContact CB-CG1 4.06Å; V347-I360 HydrophobicContact CG1-CD1 3.84Å; V347-I360 HydrophobicContact CG1-CG1 3.73Å; V347-I360 WeakPolarHBondContact O-CG1 3.26Å; V347-I360 PolarHBondContact O-N 3.16Å; V347-N361 HydrophobicContact CB-CB 4.07Å; V347-N361 HydrophobicContact CG2-CB 4.01Å; V347-N361 PolarHBondContact N-O 3.01Å; V347-N361 PolarHBondContact O-N 3.39Å; V347-L363 HydrophobicContact CG2-CD1 3.89Å; V347-L363 HydrophobicContact CG2-CG 3.84Å; V347-A382 HydrophobicContact CG1-CB 3.93Å; V347-N383 WeakPolarHBondContact CA-O 3.4Å; V347-I384 HydrophobicContact CB-CD1 4.18Å; V347-I384 HydrophobicContact CG1-CD1 3.88Å; V347-I384 HydrophobicContact CG2-CD1 3.73Å
348	T	87.2	Confident	83.4	Confident	11 Å²	11	69.8 Å²	69.8	7%	0.067	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.4	178.9	78.3	0	0	0	0	112.1	Q358 N383 I385	T348-Q358 CarbonylContact C-O 3.51Å; T348-Q358 WeakPolarHBondContact CA-O 3.1Å; T348-Q358 WeakPolarHBondContact CB-O 3.28Å; T348-N383 PolarHBondContact N-O 3.13Å; T348-N383 PolarHBondContact O-N 3.37Å; T348-N383 PolarHBondContact O-ND2 3.06Å; T348-N383 PolarHBondContact OG1-ND2 3.41Å; T348-I385 HydrophobicContact CG2-CD1 4.06Å
349	Q	83.4	Confident	83.2	Confident	55 Å²	55	72.9 Å²	72.9	26%	0.257	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.3	-176.8	-170.5	175.3	48.5	0	0	111	T351 Q358 I360 S381 A382	Q349-T351 HydrophobicContact CG-CG2 4.26Å; Q349-Q358 PolarHBondContact N-O 2.94Å; Q349-Q358 PolarHBondContact O-N 3.28Å; Q349-I360 HydrophobicContact CB-CD1 3.86Å; Q349-I360 HydrophobicContact CB-CG1 4.32Å; Q349-I360 HydrophobicContact CB-CG2 4.14Å; Q349-S381 PolarHBondContact NE2-O 3.32Å; Q349-A382 HydrophobicContact CB-CB 4.17Å; Q349-A382 HydrophobicContact CG-CB 4.44Å
350	T	80.9	Confident	83	Confident	56 Å²	56	77.1 Å²	77.1	34%	0.344	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.1	165.5	-50.5	0	0	0	0	108.5	Q330 P357	Q330-T350 PolarHBondContact NE2-O 3.07Å; T350-P357 WeakPolarHBondContact OG1-CG 3.4Å
351	T	73.8	Confident	82.8	Confident	58 Å²	58	81.4 Å²	81.4	36%	0.356	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	154.9	178.9	58.8	0	0	0	0	109.1	Q349 A353 Y354	Q349-T351 HydrophobicContact CG-CG2 4.26Å; T351-A353 PolarHBondContact O-N 3Å; T351-Y354 CarbonylContact O-C 3.57Å; T351-Y354 PolarHBondContact O-N 2.91Å; T351-Y354 VanDerWaalsContact O-O 3.05Å
352	E	68.1	Low	82.8	Confident	211 Å²	211	83.9 Å²	83.9	99%	0.986	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-31.4	-176.5	-60.2	-175.6	154.5	0	0	114.6	Y354	E352-Y354 VanDerWaalsContact C-N 3.32Å; E352-Y354 PolarHBondContact O-N 3.35Å
353	A	66.7	Low	82.8	Confident	83 Å²	83	79.9 Å²	79.9	69%	0.686	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.8	177.2	0	0	0	0	0	115.3	T351	T351-A353 PolarHBondContact O-N 3Å
354	Y	66.3	Low	82.8	Confident	141 Å²	141	84.1 Å²	84.1	55%	0.553	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	118.4	-171.5	-63	-73.7	0	0	0	112.2	T351 E352 L356 Q358	T351-Y354 CarbonylContact O-C 3.57Å; T351-Y354 PolarHBondContact O-N 2.91Å; T351-Y354 VanDerWaalsContact O-O 3.05Å; E352-Y354 VanDerWaalsContact C-N 3.32Å; E352-Y354 PolarHBondContact O-N 3.35Å; Y354-L356 PolarHBondContact O-N 2.97Å; Y354-L356 VanDerWaalsContact O-N 3.14Å; Y354-Q358 HydrophobicContact CD2-CG 4.23Å; Y354-Q358 HydrophobicContact CG-CG 4.16Å
355	R	65.7	Low	82.7	Confident	254 Å²	254	86 Å²	86	96%	0.958	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	-5.1	179.2	-68.2	-173	179.5	-178.7	0.4	115.3
356	L	72.3	Confident	82.3	Confident	126 Å²	126	86.8 Å²	86.8	66%	0.66	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.5	179.5	-69.2	174.2	0	0	0	109.7	Y354 Q358	Y354-L356 PolarHBondContact O-N 2.97Å; Y354-L356 VanDerWaalsContact O-N 3.14Å; L356-Q358 PolarHBondContact O-N 2.9Å; L356-Q358 PolarHBondContact O-NE2 2.93Å
357	P	79.3	Confident	82.1	Confident	58 Å²	58	86.1 Å²	86.1	38%	0.377	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	127.6	179.9	-18.1	25.6	0	0	0	111.7	T350	T350-P357 WeakPolarHBondContact OG1-CG 3.4Å
358	Q	83.8	Confident	81.9	Confident	89 Å²	89	88.7 Å²	88.7	42%	0.416	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	145.8	174	-61.3	-51.9	-58	0	0	110.1	T348 Q349 Y354 L356 I360	T348-Q358 CarbonylContact C-O 3.51Å; T348-Q358 WeakPolarHBondContact CA-O 3.1Å; T348-Q358 WeakPolarHBondContact CB-O 3.28Å; Q349-Q358 PolarHBondContact N-O 2.94Å; Q349-Q358 PolarHBondContact O-N 3.28Å; Y354-Q358 HydrophobicContact CD2-CG 4.23Å; Y354-Q358 HydrophobicContact CG-CG 4.16Å; L356-Q358 PolarHBondContact O-N 2.9Å; L356-Q358 PolarHBondContact O-NE2 2.93Å; Q358-I360 PolarHBondContact O-N 2.9Å
359	T	86.7	Confident	81.9	Confident	82 Å²	82	88.5 Å²	88.5	50%	0.503	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	114.8	173.1	-58	0	0	0	0	108.8	K346 V347	K346-T359 HydrophobicContact CB-CG2 4.38Å; K346-T359 HydrophobicContact CG-CG2 4.22Å; V347-T359 WeakPolarHBondContact O-CA 3.35Å
360	I	86.6	Confident	81.6	Confident	91 Å²	91	86.6 Å²	86.6	47%	0.467	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-24.4	-176.7	58.6	164.6	0	0	0	113	V347 Q349 Q358 A382	V347-I360 HydrophobicContact CB-CG1 4.06Å; V347-I360 HydrophobicContact CG1-CD1 3.84Å; V347-I360 HydrophobicContact CG1-CG1 3.73Å; V347-I360 WeakPolarHBondContact O-CG1 3.26Å; V347-I360 PolarHBondContact O-N 3.16Å; Q349-I360 HydrophobicContact CB-CD1 3.86Å; Q349-I360 HydrophobicContact CB-CG1 4.32Å; Q349-I360 HydrophobicContact CB-CG2 4.14Å; Q358-I360 PolarHBondContact O-N 2.9Å; I360-A382 HydrophobicContact CD1-CB 4.48Å
361	N	87.3	Confident	81.2	Confident	89 Å²	89	86.2 Å²	86.2	48%	0.476	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	169.5	175.5	-158.8	4.7	0	0	0	111.4	V347	V347-N361 HydrophobicContact CB-CB 4.07Å; V347-N361 HydrophobicContact CG2-CB 4.01Å; V347-N361 PolarHBondContact N-O 3.01Å; V347-N361 PolarHBondContact O-N 3.39Å
362	T	90.9	Very high	80.8	Confident	61 Å²	61	89 Å²	89	37%	0.374	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123	166.4	-62.5	0	0	0	0	108.4	K344 V345	K344-T362 HydrophobicContact CB-CG2 4.5Å; V345-T362 CarbonylContact O-C 3.43Å; V345-T362 WeakPolarHBondContact O-CA 3.27Å
363	L	91.9	Very high	80.4	Confident	23 Å²	23	79.2 Å²	79.2	12%	0.12	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	152.2	179.5	-56	176.2	0	0	0	109.7	I340 K344 V345 V347 D367 F369	I340-L363 HydrophobicContact CD1-CB 3.59Å; K344-L363 VanDerWaalsContact CA-O 3.28Å; K344-L363 WeakPolarHBondContact CA-O 3.21Å; V345-L363 HydrophobicContact CG2-CB 3.84Å; V345-L363 HydrophobicContact CG2-CD1 4.46Å; V345-L363 PolarHBondContact N-O 2.9Å; V345-L363 PolarHBondContact O-N 3.07Å; V347-L363 HydrophobicContact CG2-CD1 3.89Å; V347-L363 HydrophobicContact CG2-CG 3.84Å; L363-D367 WeakPolarHBondContact CA-OD2 3.39Å; L363-D367 HydrophobicContact CB-CB 3.97Å; L363-D367 HydrophobicContact CD2-CB 4.21Å; L363-F369 HydrophobicContact CD1-CB 3.95Å; L363-F369 HydrophobicContact CD1-CD1 3.85Å; L363-F369 HydrophobicContact CD1-CG 4.3Å
364	Q	93.6	Very high	80	Confident	105 Å²	105	75.5 Å²	75.5	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	179.2	-174.4	63.9	-179.3	-3.9	0	0	111.8	K344 G366 D367	K344-Q364 HydrophobicContact CG-CB 3.88Å; Q364-G366 PolarHBondContact O-N 2.72Å; Q364-D367 WeakPolarHBondContact CG-OD2 3.21Å; Q364-D367 PolarHBondContact N-OD2 2.96Å; Q364-D367 VanDerWaalsContact O-CB 3.27Å; Q364-D367 WeakPolarHBondContact O-CB 3.49Å; Q364-D367 PolarHBondContact O-N 3.19Å
365	K	91.4	Very high	79.5	Confident	126 Å²	126	72.2 Å²	72.2	55%	0.548	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	124.1	176.6	178.9	174.4	-175.8	124	0	113.1	F294 I340 A341 G343	F294-K365 HydrophobicContact CE2-CG 4.14Å; I340-K365 VanDerWaalsContact O-CA 3.3Å; I340-K365 WeakPolarHBondContact O-CA 3.12Å; A341-K365 VanDerWaalsContact O-CD 3.24Å; A341-K365 WeakPolarHBondContact O-CD 3.39Å; A341-K365 VanDerWaalsContact O-CE 3.23Å; A341-K365 WeakPolarHBondContact O-CE 3.42Å; A341-K365 WeakPolarHBondContact O-CG 3.34Å; A341-K365 PolarHBondContact O-NZ 2.83Å; G343-K365 PolarHBondContact O-N 2.83Å
366	G	86.6	Confident	79	Confident	17 Å²	17	61.7 Å²	61.7	18%	0.175	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	-20.7	-178.3	0	0	0	0	0	114.3	I340 Q364	I340-G366 PolarHBondContact O-N 3.03Å; Q364-G366 PolarHBondContact O-N 2.72Å
367	D	89.5	Confident	78.2	Confident	57 Å²	57	62.3 Å²	62.3	31%	0.305	33%	0.326	S	S	.	.			trans	-74.9	163.6	170	-59.7	-39.3	0	0	0	111.1	I340 L363 Q364	I340-D367 HydrophobicContact CD1-CB 4.4Å; I340-D367 PolarHBondContact N-O 3.42Å; L363-D367 WeakPolarHBondContact CA-OD2 3.39Å; L363-D367 HydrophobicContact CB-CB 3.97Å; L363-D367 HydrophobicContact CD2-CB 4.21Å; Q364-D367 WeakPolarHBondContact CG-OD2 3.21Å; Q364-D367 PolarHBondContact N-OD2 2.96Å; Q364-D367 VanDerWaalsContact O-CB 3.27Å; Q364-D367 WeakPolarHBondContact O-CB 3.49Å; Q364-D367 PolarHBondContact O-N 3.19Å
368	Y	88.9	Confident	77.2	Confident	69 Å²	69	64.4 Å²	64.4	27%	0.271	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	161.6	179.2	58.7	-95.7	0	0	0	110.9	V298 L300 F337 Y338 E371	V298-Y368 HydrophobicContact CG1-CD1 3.59Å; V298-Y368 HydrophobicContact CG1-CE1 4.14Å; L300-Y368 HydrophobicContact CB-CD1 4.42Å; L300-Y368 HydrophobicContact CB-CE1 3.8Å; L300-Y368 HydrophobicContact CD2-CE2 4.25Å; F337-Y368 AromaticContact CE2-CD2 3.7Å; F337-Y368 HydrophobicContact CE2-CD2 3.7Å; F337-Y368 AromaticContact CE2-CG 3.96Å; F337-Y368 HydrophobicContact CE2-CG 3.96Å; F337-Y368 HydrophobicContact CZ-CD2 4.12Å; F337-Y368 HydrophobicContact CZ-CG 4.01Å; Y338-Y368 CarbonylContact O-C 3.55Å; Y338-Y368 WeakPolarHBondContact O-CA 3.45Å; Y338-Y368 VanDerWaalsContact O-CB 3.29Å; Y338-Y368 WeakPolarHBondContact O-CB 3.31Å; Y368-E371 HydrophobicContact CD2-CB 4.26Å; Y368-E371 HydrophobicContact CE2-CB 4.24Å; Y368-E371 HydrophobicContact CE2-CG 4.17Å
369	F	86.8	Confident	76.5	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.035	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	163.5	176.1	56.1	-94.4	0	0	0	112.1	V327 I328 F337 Y338 I340 V345 L363 E371 I384	V327-F369 HydrophobicContact CB-CE2 4.4Å; V327-F369 HydrophobicContact CB-CZ 4.37Å; V327-F369 HydrophobicContact CG1-CE2 3.77Å; V327-F369 HydrophobicContact CG1-CZ 3.79Å; I328-F369 HydrophobicContact CD1-CD2 3.66Å; I328-F369 HydrophobicContact CD1-CE2 3.83Å; I328-F369 HydrophobicContact CG1-CE2 4.35Å; F337-F369 WeakPolarHBondContact CD2-O 3.49Å; Y338-F369 VanDerWaalsContact CB-CZ 3.42Å; Y338-F369 HydrophobicContact CD1-CE2 4.15Å; Y338-F369 HydrophobicContact CD1-CZ 4.28Å; Y338-F369 AromaticContact CD2-CD2 3.95Å; Y338-F369 HydrophobicContact CD2-CD2 3.95Å; Y338-F369 AromaticContact CD2-CE2 3.55Å; Y338-F369 HydrophobicContact CD2-CE2 3.55Å; Y338-F369 HydrophobicContact CD2-CZ 4.4Å; Y338-F369 HydrophobicContact CE2-CE2 4.42Å; Y338-F369 HydrophobicContact CG-CD2 4.1Å; Y338-F369 AromaticContact CG-CE2 3.41Å; Y338-F369 HydrophobicContact CG-CE2 3.41Å; Y338-F369 VanDerWaalsContact CG-CE2 3.41Å; Y338-F369 AromaticContact CG-CZ 3.81Å; Y338-F369 HydrophobicContact CG-CZ 3.81Å; Y338-F369 PolarHBondContact N-O 2.97Å; Y338-F369 PolarHBondContact O-N 2.93Å; I340-F369 HydrophobicContact CD1-CD1 4.25Å; I340-F369 HydrophobicContact CD1-CE1 3.96Å; I340-F369 HydrophobicContact CG1-CD1 4.27Å; I340-F369 HydrophobicContact CG1-CE1 3.73Å; V345-F369 HydrophobicContact CG2-CD1 4.39Å; V345-F369 HydrophobicContact CG2-CE1 4.01Å; L363-F369 HydrophobicContact CD1-CB 3.95Å; L363-F369 HydrophobicContact CD1-CD1 3.85Å; L363-F369 HydrophobicContact CD1-CG 4.3Å; F369-E371 VanDerWaalsContact C-N 3.28Å; F369-E371 WeakPolarHBondContact CA-OE2 3.47Å; F369-I384 HydrophobicContact CB-CD1 4.36Å; F369-I384 HydrophobicContact CD1-CG2 4.38Å; F369-I384 HydrophobicContact CD2-CB 4.41Å; F369-I384 HydrophobicContact CD2-CD1 4.26Å; F369-I384 HydrophobicContact CD2-CG1 3.76Å; F369-I384 HydrophobicContact CD2-CG2 4.23Å; F369-I384 HydrophobicContact CE1-CG2 3.99Å; F369-I384 HydrophobicContact CE2-CB 4.17Å; F369-I384 HydrophobicContact CE2-CG1 4.02Å; F369-I384 HydrophobicContact CE2-CG2 3.81Å; F369-I384 HydrophobicContact CG-CD1 4.21Å; F369-I384 HydrophobicContact CG-CG1 4.21Å; F369-I384 HydrophobicContact CG-CG2 4.49Å; F369-I384 HydrophobicContact CZ-CG2 3.69Å
370	G	77.4	Confident	76.1	Confident	14 Å²	14	61 Å²	61	14%	0.144	32%	0.317	C	S	.	.			trans	81	9.2	-176.2	0	0	0	0	0	113.1	K372 A373	G370-K372 PolarHBondContact O-N 3.2Å; G370-A373 VanDerWaalsContact O-CB 3.26Å; G370-A373 WeakPolarHBondContact O-CB 3.41Å; G370-A373 PolarHBondContact O-N 3.26Å
371	E	72	Confident	75.6	Confident	48 Å²	48	59.9 Å²	59.9	22%	0.224	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34.2	178.8	72.3	-60.8	150.6	0	0	112.8	F337 Y368 F369 A373 L374 F408	F337-E371 HydrophobicContact CD2-CB 4.08Å; F337-E371 HydrophobicContact CE2-CB 3.91Å; Y368-E371 HydrophobicContact CD2-CB 4.26Å; Y368-E371 HydrophobicContact CE2-CB 4.24Å; Y368-E371 HydrophobicContact CE2-CG 4.17Å; F369-E371 VanDerWaalsContact C-N 3.28Å; F369-E371 WeakPolarHBondContact CA-OE2 3.47Å; E371-A373 PolarHBondContact O-N 3.43Å; E371-L374 VanDerWaalsContact O-CB 3.31Å; E371-L374 WeakPolarHBondContact O-CB 3.38Å; E371-L374 PolarHBondContact O-N 3.41Å; E371-F408 HydrophobicContact CB-CE2 4.11Å
372	K	64.3	Low	75.4	Confident	118 Å²	118	56.2 Å²	56.2	51%	0.513	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-62.2	-28.5	174.7	-66.7	177	-171.7	-178.7	0	113.7	G370 L374 I375 S376	G370-K372 PolarHBondContact O-N 3.2Å; K372-L374 PolarHBondContact O-N 2.94Å; K372-I375 WeakPolarHBondContact O-CA 3.46Å; K372-I375 WeakPolarHBondContact O-CB 3.27Å; K372-I375 PolarHBondContact O-N 3.01Å; K372-S376 PolarHBondContact O-N 3.05Å; K372-S376 VanDerWaalsContact O-N 3.11Å; K372-S376 PolarHBondContact O-OG 2.9Å
373	A	60	Low	75.2	Confident	5 Å²	5	54 Å²	54	4%	0.041	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.7	-12.9	174.1	0	0	0	0	0	113.4	G334 G370 E371 I375 R380 R398	G334-A373 WeakPolarHBondContact O-CB 3.46Å; G370-A373 VanDerWaalsContact O-CB 3.26Å; G370-A373 WeakPolarHBondContact O-CB 3.41Å; G370-A373 PolarHBondContact O-N 3.26Å; E371-A373 PolarHBondContact O-N 3.43Å; A373-I375 VanDerWaalsContact C-N 3.35Å; A373-R380 VanDerWaalsContact CB-NH1 3.25Å; A373-R398 WeakPolarHBondContact O-CD 3.46Å
374	L	58.1	Low	75.3	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-87.5	-2.6	168.3	-52.8	178.8	0	0	0	112.9	F337 E371 K372 R398 F401 F408	F337-L374 HydrophobicContact CB-CD1 3.75Å; F337-L374 HydrophobicContact CB-CD2 3.94Å; F337-L374 HydrophobicContact CB-CG 3.92Å; F337-L374 HydrophobicContact CD1-CD1 4.07Å; F337-L374 HydrophobicContact CD2-CD1 4.23Å; F337-L374 HydrophobicContact CG-CD1 3.76Å; F337-L374 HydrophobicContact CG-CG 4.41Å; E371-L374 VanDerWaalsContact O-CB 3.31Å; E371-L374 WeakPolarHBondContact O-CB 3.38Å; E371-L374 PolarHBondContact O-N 3.41Å; K372-L374 PolarHBondContact O-N 2.94Å; L374-R398 HydrophobicContact CD2-CB 3.92Å; L374-R398 HydrophobicContact CD2-CG 4.34Å; L374-F401 HydrophobicContact CD1-CD1 4.02Å; L374-F401 HydrophobicContact CD1-CD2 4.01Å; L374-F401 HydrophobicContact CD1-CE1 4Å; L374-F401 HydrophobicContact CD1-CE2 3.98Å; L374-F401 HydrophobicContact CD1-CG 4.02Å; L374-F401 HydrophobicContact CD1-CZ 3.97Å; L374-F401 HydrophobicContact CD2-CB 4.05Å; L374-F401 HydrophobicContact CD2-CD1 4.37Å; L374-F401 HydrophobicContact CD2-CG 4.13Å; L374-F408 HydrophobicContact CB-CB 4.05Å; L374-F408 HydrophobicContact CB-CD2 4.3Å; L374-F408 HydrophobicContact CD1-CD2 4.31Å; L374-F408 WeakPolarHBondContact O-CB 3.39Å
375	I	55.9	Low	75.2	Confident	71 Å²	71	49.6 Å²	49.6	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-41.2	-174.2	-51.2	177.6	0	0	0	111	K372 A373 F408	K372-I375 WeakPolarHBondContact O-CA 3.46Å; K372-I375 WeakPolarHBondContact O-CB 3.27Å; K372-I375 PolarHBondContact O-N 3.01Å; A373-I375 VanDerWaalsContact C-N 3.35Å; I375-F408 HydrophobicContact CD1-CD1 3.53Å; I375-F408 HydrophobicContact CD1-CE1 3.65Å; I375-F408 HydrophobicContact CD1-CG 4.04Å; I375-F408 HydrophobicContact CD1-CZ 4.24Å; I375-F408 HydrophobicContact CG1-CB 3.82Å; I375-F408 HydrophobicContact CG1-CD1 3.55Å; I375-F408 HydrophobicContact CG1-CD2 4.32Å; I375-F408 HydrophobicContact CG1-CE1 4.18Å; I375-F408 HydrophobicContact CG1-CG 3.63Å
376	S	56.5	Low	75.4	Confident	34 Å²	34	43.7 Å²	43.7	24%	0.238	24%	0.24	C	C	.	.			trans	-144.4	163.5	-171.2	43.2	0	0	0	0	112.2	K372 D378 R398	K372-S376 PolarHBondContact O-N 3.05Å; K372-S376 VanDerWaalsContact O-N 3.11Å; K372-S376 PolarHBondContact O-OG 2.9Å; S376-D378 VanDerWaalsContact CB-OD2 3.25Å; S376-D378 WeakPolarHBondContact CB-OD2 3.32Å; S376-D378 PolarHBondContact O-N 3.24Å; S376-D378 VanDerWaalsContact O-N 3.16Å; S376-D378 VanDerWaalsContact OG-CG 3.32Å; S376-D378 PolarHBondContact OG-OD2 3.47Å; S376-R398 PolarHBondContact O-NH1 2.93Å
377	D	55.4	Low	75.8	Confident	138 Å²	138	44.8 Å²	44.8	74%	0.738	24%	0.241	S	C	*	.	S	Bend	trans	-81.5	42.2	166.7	-66.3	-50.9	0	0	0	111.3	R398	D377-R398 IonicContact OD1-CZ 3.47Å; D377-R398 IonicContact OD1-NH1 3.53Å; D377-R398 PolarHBondContact OD1-NH1 3.2Å; D377-R398 IonicContact OD1-NH2 2.7Å; D377-R398 PolarHBondContact OD1-NH2 2.98Å
378	D	58.5	Low	76	Confident	102 Å²	102	46 Å²	46	55%	0.545	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-82.5	138.9	-179.6	-81.2	-45.3	0	0	0	111.9	S376	S376-D378 VanDerWaalsContact CB-OD2 3.25Å; S376-D378 WeakPolarHBondContact CB-OD2 3.32Å; S376-D378 PolarHBondContact O-N 3.24Å; S376-D378 VanDerWaalsContact O-N 3.16Å; S376-D378 VanDerWaalsContact OG-CG 3.32Å; S376-D378 PolarHBondContact OG-OD2 3.47Å
379	V	68.4	Low	76.1	Confident	83 Å²	83	48.1 Å²	48.1	50%	0.503	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-63.4	143.7	167.5	-67.7	0	0	0	0	111.1	E332 E333 S381	E332-V379 CarbonylContact O-C 3.59Å; E332-V379 WeakPolarHBondContact O-CA 3.12Å; E333-V379 HydrophobicContact CG-CG1 4.18Å; V379-S381 PolarHBondContact O-N 2.92Å; V379-S381 VanDerWaalsContact O-N 3.15Å
380	R	78.3	Confident	76.1	Confident	17 Å²	17	49 Å²	49	6%	0.064	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-58.9	117.6	-175	-63.2	-69.8	-154.2	-173.1	3.7	111	I328 R329 Q330 G331 E332 T336 A373 A382	I328-R380 HydrophobicContact CG2-CB 3.66Å; I328-R380 HydrophobicContact CG2-CG 3.66Å; R329-R380 VanDerWaalsContact O-CB 3.31Å; R329-R380 WeakPolarHBondContact O-CB 3.33Å; Q330-R380 CarbonylContact C-O 3.5Å; Q330-R380 WeakPolarHBondContact CA-O 3.34Å; G331-R380 PolarHBondContact N-O 2.87Å; E332-R380 HydrophobicContact CG-CB 4.19Å; E332-R380 HydrophobicContact CG-CG 3.64Å; E332-R380 WeakPolarHBondContact O-CG 3.29Å; E332-R380 PolarHBondContact O-N 3.42Å; T336-R380 PolarHBondContact O-NH1 2.57Å; T336-R380 PolarHBondContact O-NH2 3.01Å; T336-R380 PolarHBondContact OG1-NH2 3.23Å; A373-R380 VanDerWaalsContact CB-NH1 3.25Å; R380-A382 VanDerWaalsContact C-N 3.29Å; R380-A382 PolarHBondContact O-N 3.33Å
381	S	75.7	Confident	76.9	Confident	68 Å²	68	48.3 Å²	48.3	48%	0.476	27%	0.265	S	S	.	.	S	Bend	trans	-73.9	-14.4	-170.7	63	0	0	0	0	115.2	Q349 V379	Q349-S381 PolarHBondContact NE2-O 3.32Å; V379-S381 PolarHBondContact O-N 2.92Å; V379-S381 VanDerWaalsContact O-N 3.15Å
382	A	83.1	Confident	77.9	Confident	11 Å²	11	47.4 Å²	47.4	9%	0.091	26%	0.261	C	S	.	.	S	Bend	trans	-153.1	161	-178.5	0	0	0	0	0	110.3	I328 V347 Q349 I360 R380	I328-A382 WeakPolarHBondContact CG2-O 3.2Å; V347-A382 HydrophobicContact CG1-CB 3.93Å; Q349-A382 HydrophobicContact CB-CB 4.17Å; Q349-A382 HydrophobicContact CG-CB 4.44Å; I360-A382 HydrophobicContact CD1-CB 4.48Å; R380-A382 VanDerWaalsContact C-N 3.29Å; R380-A382 PolarHBondContact O-N 3.33Å
383	N	87.7	Confident	79.3	Confident	15 Å²	15	41.8 Å²	41.8	8%	0.08	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	148.8	169.6	-45.7	-87.9	0	0	0	110.2	Y326 I328 Q330 V347 T348 I385	Y326-N383 HydrophobicContact CD1-CB 4.03Å; Y326-N383 HydrophobicContact CE1-CB 3.92Å; I328-N383 CarbonylContact O-C 3.6Å; I328-N383 VanDerWaalsContact O-CA 3.29Å; I328-N383 WeakPolarHBondContact O-CA 3.45Å; Q330-N383 PolarHBondContact N-OD1 3.49Å; V347-N383 WeakPolarHBondContact CA-O 3.4Å; T348-N383 PolarHBondContact N-O 3.13Å; T348-N383 PolarHBondContact O-N 3.37Å; T348-N383 PolarHBondContact O-ND2 3.06Å; T348-N383 PolarHBondContact OG1-ND2 3.41Å; N383-I385 HydrophobicContact CB-CD1 4.43Å; N383-I385 HydrophobicContact CB-CG1 4.29Å
384	I	92.3	Very high	80.8	Confident	10 Å²	10	41.6 Å²	41.6	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.5	168.3	-53.4	-67.8	0	0	0	107.6	Y326 V327 I328 V345 V347 F369	Y326-I384 CarbonylContact C-O 3.58Å; Y326-I384 WeakPolarHBondContact CA-O 3.31Å; V327-I384 HydrophobicContact CB-CB 4.22Å; V327-I384 HydrophobicContact CB-CG2 4.1Å; V327-I384 HydrophobicContact CG2-CG2 4.28Å; V327-I384 PolarHBondContact N-O 3.26Å; I328-I384 HydrophobicContact CB-CB 4Å; I328-I384 HydrophobicContact CB-CG1 3.89Å; I328-I384 HydrophobicContact CD1-CG1 4.11Å; I328-I384 HydrophobicContact CG1-CG1 4.35Å; I328-I384 HydrophobicContact CG2-CG1 4.45Å; I328-I384 PolarHBondContact N-O 2.87Å; I328-I384 PolarHBondContact O-N 2.87Å; V345-I384 HydrophobicContact CB-CG2 3.66Å; V345-I384 HydrophobicContact CG1-CG2 4.11Å; V345-I384 HydrophobicContact CG2-CG2 3.51Å; V347-I384 HydrophobicContact CB-CD1 4.18Å; V347-I384 HydrophobicContact CG1-CD1 3.88Å; V347-I384 HydrophobicContact CG2-CD1 3.73Å; F369-I384 HydrophobicContact CB-CD1 4.36Å; F369-I384 HydrophobicContact CD1-CG2 4.38Å; F369-I384 HydrophobicContact CD2-CB 4.41Å; F369-I384 HydrophobicContact CD2-CD1 4.26Å; F369-I384 HydrophobicContact CD2-CG1 3.76Å; F369-I384 HydrophobicContact CD2-CG2 4.23Å; F369-I384 HydrophobicContact CE1-CG2 3.99Å; F369-I384 HydrophobicContact CE2-CB 4.17Å; F369-I384 HydrophobicContact CE2-CG1 4.02Å; F369-I384 HydrophobicContact CE2-CG2 3.81Å; F369-I384 HydrophobicContact CG-CD1 4.21Å; F369-I384 HydrophobicContact CG-CG1 4.21Å; F369-I384 HydrophobicContact CG-CG2 4.49Å; F369-I384 HydrophobicContact CZ-CG2 3.69Å
385	I	93.2	Very high	82.3	Confident	25 Å²	25	41.8 Å²	41.8	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.1	-171.3	-53.3	172.8	0	0	0	109.2	E325 Y326 V345 K346 T348 N383 D387	E325-I385 CarbonylContact O-C 3.54Å; E325-I385 VanDerWaalsContact O-CA 3.31Å; E325-I385 WeakPolarHBondContact O-CA 3.49Å; E325-I385 WeakPolarHBondContact O-CG2 3.19Å; Y326-I385 HydrophobicContact CD1-CD1 4.18Å; Y326-I385 HydrophobicContact CD1-CG1 3.79Å; Y326-I385 HydrophobicContact CD2-CG1 4.25Å; Y326-I385 HydrophobicContact CE1-CD1 3.6Å; Y326-I385 HydrophobicContact CE1-CG1 3.76Å; Y326-I385 HydrophobicContact CE2-CD1 4.04Å; Y326-I385 HydrophobicContact CE2-CG1 4.21Å; Y326-I385 HydrophobicContact CG-CG1 4.05Å; V345-I385 CarbonylContact C-O 3.58Å; V345-I385 VanDerWaalsContact CA-O 3.22Å; V345-I385 WeakPolarHBondContact CA-O 3.31Å; V345-I385 WeakPolarHBondContact CB-O 3.42Å; K346-I385 PolarHBondContact N-O 3.46Å; K346-I385 PolarHBondContact O-N 3.05Å; T348-I385 HydrophobicContact CG2-CD1 4.06Å; N383-I385 HydrophobicContact CB-CD1 4.43Å; N383-I385 HydrophobicContact CB-CG1 4.29Å; I385-D387 PolarHBondContact O-N 3.35Å
386	A	95.3	Very high	83.7	Confident	2 Å²	2	38.7 Å²	38.7	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129	175.8	0	0	0	0	0	111.5	D322 G324 E325 V391	D322-A386 WeakPolarHBondContact O-CB 3.47Å; G324-A386 PolarHBondContact N-O 3.49Å; E325-A386 PolarHBondContact O-N 3.47Å; A386-V391 HydrophobicContact CB-CB 4.29Å; A386-V391 HydrophobicContact CB-CG2 3.86Å
387	D	93.5	Very high	84.9	Confident	40 Å²	40	39.5 Å²	39.5	21%	0.214	22%	0.222	C	C	.	.	S	Bend	trans	-96.4	-8.7	-178.3	-163.6	26	0	0	0	113.3	K323 K344 K346 I385	K323-D387 VanDerWaalsContact CD-O 3.29Å; K323-D387 WeakPolarHBondContact CD-O 3.49Å; K323-D387 VanDerWaalsContact CE-O 3.24Å; K323-D387 WeakPolarHBondContact CE-O 3.48Å; K323-D387 PolarHBondContact NZ-O 3.08Å; K323-D387 IonicContact NZ-OD1 2.78Å; K344-D387 PolarHBondContact O-N 2.95Å; K346-D387 HydrophobicContact CD-CB 4.19Å; K346-D387 VanDerWaalsContact CE-CG 3.43Å; K346-D387 WeakPolarHBondContact CE-OD1 3.28Å; K346-D387 WeakPolarHBondContact CE-OD2 3.3Å; K346-D387 HydrophobicContact CG-CB 4.24Å; K346-D387 IonicContact NZ-OD1 3.66Å; K346-D387 PolarHBondContact NZ-OD1 3.24Å; K346-D387 IonicContact NZ-OD2 2.72Å; K346-D387 PolarHBondContact NZ-OD2 3.03Å; I385-D387 PolarHBondContact O-N 3.35Å
388	E	93.9	Very high	86	Confident	83 Å²	83	36 Å²	36	39%	0.388	20%	0.198	S	C	.	.	S	Bend	trans	-144.3	170	176.5	60.3	-163	151.7	0	0	110.4	K323 G343 K344 V391	K323-E388 PolarHBondContact N-O 2.92Å; G343-E388 VanDerWaalsContact C-OE1 3.24Å; G343-E388 WeakPolarHBondContact CA-OE1 3.46Å; K344-E388 WeakPolarHBondContact CB-OE1 3.27Å; K344-E388 WeakPolarHBondContact CG-OE1 3.43Å; K344-E388 PolarHBondContact N-OE1 2.76Å; E388-V391 HydrophobicContact CG-CG2 4.1Å
389	N	90.9	Very high	86.9	Confident	114 Å²	114	37.1 Å²	37.1	61%	0.61	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	145.6	-178.6	-73.9	16.3	0	0	0	111	D322 K323	D322-N389 WeakPolarHBondContact OD1-CA 3.45Å; D322-N389 WeakPolarHBondContact OD1-CB 3.48Å; K323-N389 WeakPolarHBondContact CB-OD1 3.43Å; K323-N389 PolarHBondContact N-OD1 3.1Å; K323-N389 VanDerWaalsContact N-OD1 3.08Å
390	G	88.4	Confident	87.4	Confident	25 Å²	25	34.1 Å²	34.1	26%	0.258	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	42.2	-179.9	0	0	0	0	0	114.4	Y321 D322 E392	Y321-G390 PolarHBondContact O-N 3.46Å; D322-G390 PolarHBondContact OD1-N 2.91Å; G390-E392 PolarHBondContact O-N 2.98Å
391	V	93.6	Very high	87.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	126.3	164.3	174.1	0	0	0	0	108.1	Y320 Y321 Q342 K344 V345 A386 E388	Y320-V391 VanDerWaalsContact CA-O 3.31Å; Y320-V391 WeakPolarHBondContact CA-O 3.47Å; Y321-V391 PolarHBondContact N-O 2.98Å; Y321-V391 PolarHBondContact O-N 3.41Å; Q342-V391 WeakPolarHBondContact O-CA 3.34Å; K344-V391 WeakPolarHBondContact O-CG2 3.5Å; V345-V391 HydrophobicContact CG1-CG1 3.85Å; A386-V391 HydrophobicContact CB-CB 4.29Å; A386-V391 HydrophobicContact CB-CG2 3.86Å; E388-V391 HydrophobicContact CG-CG2 4.1Å
392	E	93.7	Very high	87.5	Confident	30 Å²	30	32 Å²	32	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.6	178.1	-172.6	-176.7	141.9	0	0	109.6	V318 Y320 A341 Q342 G390	V318-E392 HydrophobicContact CG1-CG 3.5Å; V318-E392 VanDerWaalsContact CG1-CG 3.5Å; Y320-E392 HydrophobicContact CD1-CB 4.09Å; Y320-E392 HydrophobicContact CD1-CG 4.19Å; Y320-E392 HydrophobicContact CE1-CB 3.84Å; Y320-E392 HydrophobicContact CE1-CG 3.63Å; A341-E392 HydrophobicContact CB-CB 4.27Å; A341-E392 HydrophobicContact CB-CG 4.06Å; A341-E392 PolarHBondContact N-O 3.24Å; Q342-E392 HydrophobicContact CB-CB 3.81Å; Q342-E392 PolarHBondContact N-O 3.38Å; Q342-E392 PolarHBondContact O-N 3.15Å; G390-E392 PolarHBondContact O-N 2.98Å
393	C	92.4	Very high	87.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.1	173.7	-70.4	0	0	0	0	110	V318 E319 Y321 Y338 I339 V395	V318-C393 WeakPolarHBondContact CA-O 3.29Å; E319-C393 PolarHBondContact N-O 3.47Å; E319-C393 PolarHBondContact O-N 2.71Å; Y321-C393 HydrophobicContact CE2-CB 4.26Å; Y338-C393 HydrophobicContact CD1-CB 4.03Å; I339-C393 WeakPolarHBondContact O-CA 3.36Å; C393-V395 HydrophobicContact CB-CG2 4.09Å
394	L	91.1	Very high	86.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129	165.2	-46.8	179.3	0	0	0	108	Y291 F294 L316 E317 V318 Y338 I339 A341	Y291-L394 HydrophobicContact CD1-CD1 3.95Å; Y291-L394 HydrophobicContact CD1-CD2 4.41Å; Y291-L394 HydrophobicContact CE1-CD1 4.13Å; Y291-L394 HydrophobicContact CE1-CD2 3.77Å; F294-L394 HydrophobicContact CD1-CD1 3.72Å; F294-L394 HydrophobicContact CE1-CD1 3.77Å; L316-L394 HydrophobicContact CD1-CB 4.19Å; L316-L394 HydrophobicContact CD1-CD1 4.08Å; L316-L394 HydrophobicContact CD2-CB 4.03Å; E317-L394 WeakPolarHBondContact O-CA 3.49Å; V318-L394 HydrophobicContact CG1-CD2 4.33Å; V318-L394 HydrophobicContact CG2-CD2 3.87Å; Y338-L394 WeakPolarHBondContact CA-O 3.49Å; I339-L394 HydrophobicContact CB-CB 4.41Å; I339-L394 PolarHBondContact N-O 2.78Å; I339-L394 PolarHBondContact O-N 2.92Å; A341-L394 HydrophobicContact CB-CD1 4.15Å; A341-L394 HydrophobicContact CB-CD2 3.95Å; A341-L394 HydrophobicContact CB-CG 3.8Å
395	V	89.7	Confident	85.3	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.2	-164.7	-166.7	0	0	0	0	110.8	E317 E319 T336 F337 Y338 C393	E317-V395 PolarHBondContact N-O 3.07Å; E317-V395 PolarHBondContact O-N 2.87Å; E319-V395 HydrophobicContact CB-CG2 4.02Å; E319-V395 HydrophobicContact CG-CG2 3.81Å; T336-V395 HydrophobicContact CG2-CG1 4.22Å; F337-V395 WeakPolarHBondContact O-CA 3.37Å; Y338-V395 HydrophobicContact CD1-CB 4.35Å; Y338-V395 HydrophobicContact CD1-CG1 3.99Å; Y338-V395 HydrophobicContact CD1-CG2 3.57Å; Y338-V395 HydrophobicContact CE1-CB 4.31Å; Y338-V395 HydrophobicContact CE1-CG1 3.64Å; Y338-V395 HydrophobicContact CE1-CG2 3.66Å; C393-V395 HydrophobicContact CB-CG2 4.09Å
396	I	85.6	Confident	84.2	Confident	7 Å²	7	33.3 Å²	33.3	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.4	172.3	-170.3	168.1	0	0	0	109.7	C315 L316 F337 T400 F401	C315-I396 HydrophobicContact CB-CD1 3.61Å; C315-I396 HydrophobicContact CB-CG1 4.29Å; L316-I396 HydrophobicContact CD2-CB 4.25Å; L316-I396 HydrophobicContact CD2-CG2 4.46Å; F337-I396 HydrophobicContact CB-CG2 4.19Å; F337-I396 HydrophobicContact CD1-CG2 3.79Å; F337-I396 HydrophobicContact CG-CG2 4.49Å; F337-I396 PolarHBondContact N-O 2.57Å; F337-I396 PolarHBondContact O-N 3.17Å; F337-I396 VanDerWaalsContact O-N 3.08Å; I396-T400 HydrophobicContact CD1-CG2 4.14Å; I396-T400 HydrophobicContact CG1-CG2 4.06Å; I396-F401 HydrophobicContact CD1-CB 4.25Å; I396-F401 HydrophobicContact CD1-CD2 4.2Å; I396-F401 HydrophobicContact CG1-CB 4.3Å; I396-F401 HydrophobicContact CG2-CD2 4.07Å
397	D	82.8	Confident	83	Confident	51 Å²	51	35.3 Å²	35.3	27%	0.273	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	159.2	176.4	75.4	89.6	0	0	0	112.2	T336 E399 T400 F401	T336-D397 HydrophobicContact CG2-CB 4.07Å; D397-E399 PolarHBondContact O-N 2.85Å; D397-E399 WeakPolarHBondContact OD1-CA 3.38Å; D397-E399 WeakPolarHBondContact OD1-CB 3.36Å; D397-E399 PolarHBondContact OD1-N 3.42Å; D397-T400 PolarHBondContact O-N 3.24Å; D397-T400 PolarHBondContact OD1-N 2.61Å; D397-T400 WeakPolarHBondContact OD2-CB 3.41Å; D397-T400 PolarHBondContact OD2-OG1 3.18Å; D397-F401 VanDerWaalsContact O-CB 3.29Å; D397-F401 WeakPolarHBondContact O-CB 3.41Å; D397-F401 PolarHBondContact O-N 3.03Å
398	R	78.8	Confident	81.6	Confident	63 Å²	63	34.2 Å²	34.2	24%	0.238	18%	0.175	C	C	.	.	H	α-helix	trans	-59.3	-40.5	179.3	-179.1	-179.8	59.3	-163.2	11.4	113.3	S335 A373 L374 S376 D377 F401 D402	S335-R398 WeakPolarHBondContact O-CB 3.44Å; S335-R398 PolarHBondContact O-N 2.9Å; A373-R398 WeakPolarHBondContact O-CD 3.46Å; L374-R398 HydrophobicContact CD2-CB 3.92Å; L374-R398 HydrophobicContact CD2-CG 4.34Å; S376-R398 PolarHBondContact O-NH1 2.93Å; D377-R398 IonicContact OD1-CZ 3.47Å; D377-R398 IonicContact OD1-NH1 3.53Å; D377-R398 PolarHBondContact OD1-NH1 3.2Å; D377-R398 IonicContact OD1-NH2 2.7Å; D377-R398 PolarHBondContact OD1-NH2 2.98Å; R398-F401 PolarHBondContact O-N 3.46Å; R398-D402 WeakPolarHBondContact O-CB 3.31Å; R398-D402 PolarHBondContact O-N 3.15Å
399	E	77.3	Confident	80.3	Confident	127 Å²	127	34 Å²	34	59%	0.593	18%	0.176	S	C	*	.	H	α-helix	trans	-65.1	-46.8	-178.6	-176.1	176.2	166	0	0	109.7	D397 H403	D397-E399 PolarHBondContact O-N 2.85Å; D397-E399 WeakPolarHBondContact OD1-CA 3.38Å; D397-E399 WeakPolarHBondContact OD1-CB 3.36Å; D397-E399 PolarHBondContact OD1-N 3.42Å; E399-H403 WeakPolarHBondContact CG-CE1 3.44Å; E399-H403 VanDerWaalsContact CG-ND1 3.35Å; E399-H403 WeakPolarHBondContact CG-ND1 3.38Å; E399-H403 WeakPolarHBondContact O-CB 3.47Å; E399-H403 PolarHBondContact O-N 3.11Å; E399-H403 PolarHBondContact O-ND1 2.89Å; E399-H403 IonicContact OE1-CE1 2.67Å; E399-H403 PolarHBondContact OE1-CE1 2.87Å; E399-H403 IonicContact OE1-ND1 3.48Å
400	T	77.8	Confident	79.1	Confident	20 Å²	20	33 Å²	33	12%	0.123	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-43.4	174.5	-60.2	0	0	0	0	111.8	C315 I396 D397 T404	C315-T400 HydrophobicContact CB-CG2 3.67Å; C315-T400 WeakPolarHBondContact SG-CG2 3.37Å; I396-T400 HydrophobicContact CD1-CG2 4.14Å; I396-T400 HydrophobicContact CG1-CG2 4.06Å; D397-T400 PolarHBondContact O-N 3.24Å; D397-T400 PolarHBondContact OD1-N 2.61Å; D397-T400 WeakPolarHBondContact OD2-CB 3.41Å; D397-T400 PolarHBondContact OD2-OG1 3.18Å; T400-T404 WeakPolarHBondContact O-CB 3.25Å; T400-T404 PolarHBondContact O-N 2.75Å; T400-T404 PolarHBondContact O-OG1 2.69Å
401	F	78.1	Confident	78.1	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-52.6	178.6	-171.5	-83.4	0	0	0	112	L374 I396 D397 R398 H403 T404 V405 G406 L411	L374-F401 HydrophobicContact CD1-CD1 4.02Å; L374-F401 HydrophobicContact CD1-CD2 4.01Å; L374-F401 HydrophobicContact CD1-CE1 4Å; L374-F401 HydrophobicContact CD1-CE2 3.98Å; L374-F401 HydrophobicContact CD1-CG 4.02Å; L374-F401 HydrophobicContact CD1-CZ 3.97Å; L374-F401 HydrophobicContact CD2-CB 4.05Å; L374-F401 HydrophobicContact CD2-CD1 4.37Å; L374-F401 HydrophobicContact CD2-CG 4.13Å; I396-F401 HydrophobicContact CD1-CB 4.25Å; I396-F401 HydrophobicContact CD1-CD2 4.2Å; I396-F401 HydrophobicContact CG1-CB 4.3Å; I396-F401 HydrophobicContact CG2-CD2 4.07Å; D397-F401 VanDerWaalsContact O-CB 3.29Å; D397-F401 WeakPolarHBondContact O-CB 3.41Å; D397-F401 PolarHBondContact O-N 3.03Å; R398-F401 PolarHBondContact O-N 3.46Å; F401-H403 VanDerWaalsContact C-N 3.28Å; F401-H403 PolarHBondContact O-N 2.94Å; F401-T404 PolarHBondContact O-N 2.7Å; F401-V405 HydrophobicContact CD1-CB 4.45Å; F401-V405 HydrophobicContact CD2-CG2 4.3Å; F401-V405 HydrophobicContact CE1-CB 4.19Å; F401-V405 HydrophobicContact CE1-CG1 4.4Å; F401-V405 HydrophobicContact CE2-CG2 4.19Å; F401-V405 HydrophobicContact CZ-CB 4.28Å; F401-V405 HydrophobicContact CZ-CG1 4.25Å; F401-V405 HydrophobicContact CZ-CG2 4.34Å; F401-V405 PolarHBondContact O-N 2.97Å; F401-G406 WeakPolarHBondContact CE1-O 3.18Å; F401-L411 HydrophobicContact CE1-CD2 4.49Å; F401-L411 HydrophobicContact CZ-CD2 3.79Å
402	D	77.3	Confident	76.7	Confident	40 Å²	40	35.7 Å²	35.7	21%	0.214	17%	0.174	C	C	.	.	H	α-helix	trans	-62.5	-35.2	179.9	-82.8	4.1	0	0	0	111.9	R398 N407 K712	R398-D402 WeakPolarHBondContact O-CB 3.31Å; R398-D402 PolarHBondContact O-N 3.15Å; D402-N407 VanDerWaalsContact OD1-CA 3.28Å; D402-N407 WeakPolarHBondContact OD1-CA 3.44Å; D402-K712 WeakPolarHBondContact O-CD 3.46Å; D402-K712 WeakPolarHBondContact O-CE 3.32Å; D402-K712 PolarHBondContact O-NZ 3.05Å
403	H	75.4	Confident	75.4	Confident	73 Å²	73	41 Å²	41	34%	0.338	20%	0.197	S	C	.	.	H	α-helix	trans	-75.2	-24.8	173.3	-71.9	147.9	0	0	0	113.4	E399 F401 L711 K712	E399-H403 WeakPolarHBondContact CG-CE1 3.44Å; E399-H403 VanDerWaalsContact CG-ND1 3.35Å; E399-H403 WeakPolarHBondContact CG-ND1 3.38Å; E399-H403 WeakPolarHBondContact O-CB 3.47Å; E399-H403 PolarHBondContact O-N 3.11Å; E399-H403 PolarHBondContact O-ND1 2.89Å; E399-H403 IonicContact OE1-CE1 2.67Å; E399-H403 PolarHBondContact OE1-CE1 2.87Å; E399-H403 IonicContact OE1-ND1 3.48Å; F401-H403 VanDerWaalsContact C-N 3.28Å; F401-H403 PolarHBondContact O-N 2.94Å; H403-L711 HydrophobicContact CB-CD1 4.34Å; H403-L711 HydrophobicContact CB-CD2 4.19Å; H403-L711 CarbonylContact O-C 3.03Å; H403-L711 WeakPolarHBondContact O-CA 3.33Å; H403-L711 WeakPolarHBondContact O-CB 3.48Å; H403-K712 WeakPolarHBondContact O-CB 3.44Å; H403-K712 PolarHBondContact O-N 3.5Å
404	T	71.3	Confident	74.1	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.043	21%	0.212	C	C	.	.	H	α-helix	trans	-93.5	-49.6	-174.9	-63.1	0	0	0	0	113.3	K311 C315 T400 F401	K311-T404 HydrophobicContact CB-CG2 3.42Å; K311-T404 VanDerWaalsContact CB-CG2 3.42Å; K311-T404 HydrophobicContact CD-CG2 4.16Å; K311-T404 HydrophobicContact CG-CG2 4.46Å; C315-T404 PolarHBondContact SG-OG1 2.66Å; C315-T404 VanDerWaalsContact SG-OG1 3.4Å; T400-T404 WeakPolarHBondContact O-CB 3.25Å; T400-T404 PolarHBondContact O-N 2.75Å; T400-T404 PolarHBondContact O-OG1 2.69Å; F401-T404 PolarHBondContact O-N 2.7Å
405	V	70.8	Confident	72.5	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-32.5	-166.3	-175.8	0	0	0	0	112	K308 I312 F401	K308-V405 HydrophobicContact CD-CG1 4.38Å; K308-V405 PolarHBondContact NZ-O 2.91Å; I312-V405 HydrophobicContact CD1-CG2 3.7Å; I312-V405 HydrophobicContact CG1-CG2 3.48Å; I312-V405 VanDerWaalsContact CG1-CG2 3.48Å; F401-V405 HydrophobicContact CD1-CB 4.45Å; F401-V405 HydrophobicContact CD2-CG2 4.3Å; F401-V405 HydrophobicContact CE1-CB 4.19Å; F401-V405 HydrophobicContact CE1-CG1 4.4Å; F401-V405 HydrophobicContact CE2-CG2 4.19Å; F401-V405 HydrophobicContact CZ-CB 4.28Å; F401-V405 HydrophobicContact CZ-CG1 4.25Å; F401-V405 HydrophobicContact CZ-CG2 4.34Å; F401-V405 PolarHBondContact O-N 2.97Å
406	G	70	Confident	71.1	Confident	3 Å²	3	50.3 Å²	50.3	3%	0.031	24%	0.24	C	C	.	.			trans	110.9	161.5	-153.2	0	0	0	0	0	109.8	F401 E410	F401-G406 WeakPolarHBondContact CE1-O 3.18Å; G406-E410 WeakPolarHBondContact CA-OE2 3.33Å
407	N	70.3	Confident	69.8	Low	44 Å²	44	51.5 Å²	51.5	24%	0.235	26%	0.255	C	S	.	.			trans	-71.3	164.3	174.8	58.2	54.7	0	0	0	111.6	D402 N409 E410 L411	D402-N407 VanDerWaalsContact OD1-CA 3.28Å; D402-N407 WeakPolarHBondContact OD1-CA 3.44Å; N407-N409 PolarHBondContact O-N 3.4Å; N407-N409 WeakPolarHBondContact OD1-CB 3.15Å; N407-N409 PolarHBondContact OD1-N 2.86Å; N407-E410 VanDerWaalsContact CG-CD 3.46Å; N407-E410 PolarHBondContact N-OE2 2.91Å; N407-E410 PolarHBondContact ND2-OE1 3.48Å; N407-E410 WeakPolarHBondContact O-CA 3.28Å; N407-E410 WeakPolarHBondContact O-CB 3.19Å; N407-E410 PolarHBondContact O-N 3.35Å; N407-E410 VanDerWaalsContact OD1-CG 3.32Å; N407-E410 WeakPolarHBondContact OD1-CG 3.28Å; N407-E410 PolarHBondContact OD1-N 3.46Å; N407-L411 PolarHBondContact O-N 2.92Å
408	F	65	Low	68.5	Low	18 Å²	18	53.6 Å²	53.6	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-57	-35.3	-178.5	-171.3	-83.2	0	0	0	112.8	L300 E371 L374 I375 L411 Q412	L300-F408 HydrophobicContact CD1-CE2 3.85Å; L300-F408 HydrophobicContact CD1-CZ 4.04Å; L300-F408 HydrophobicContact CD2-CE2 3.96Å; E371-F408 HydrophobicContact CB-CE2 4.11Å; L374-F408 HydrophobicContact CB-CB 4.05Å; L374-F408 HydrophobicContact CB-CD2 4.3Å; L374-F408 HydrophobicContact CD1-CD2 4.31Å; L374-F408 WeakPolarHBondContact O-CB 3.39Å; I375-F408 HydrophobicContact CD1-CD1 3.53Å; I375-F408 HydrophobicContact CD1-CE1 3.65Å; I375-F408 HydrophobicContact CD1-CG 4.04Å; I375-F408 HydrophobicContact CD1-CZ 4.24Å; I375-F408 HydrophobicContact CG1-CB 3.82Å; I375-F408 HydrophobicContact CG1-CD1 3.55Å; I375-F408 HydrophobicContact CG1-CD2 4.32Å; I375-F408 HydrophobicContact CG1-CE1 4.18Å; I375-F408 HydrophobicContact CG1-CG 3.63Å; F408-L411 PolarHBondContact O-N 3.18Å; F408-Q412 HydrophobicContact CD1-CB 4.47Å; F408-Q412 HydrophobicContact CE1-CB 4.3Å; F408-Q412 WeakPolarHBondContact O-CB 3.43Å; F408-Q412 PolarHBondContact O-N 3.07Å
409	N	65.1	Low	67.2	Low	77 Å²	77	54.6 Å²	54.6	41%	0.412	27%	0.272	S	S	.	.	H	α-helix	trans	-67.8	-34.8	176.1	-73.4	-57.9	0	0	0	113	N407 K413	N407-N409 PolarHBondContact O-N 3.4Å; N407-N409 WeakPolarHBondContact OD1-CB 3.15Å; N407-N409 PolarHBondContact OD1-N 2.86Å; N409-K413 VanDerWaalsContact O-CB 3.3Å; N409-K413 WeakPolarHBondContact O-CB 3.37Å; N409-K413 WeakPolarHBondContact O-CD 3.43Å; N409-K413 WeakPolarHBondContact O-CG 3.35Å; N409-K413 PolarHBondContact O-N 3.17Å
410	E	67.7	Low	66.1	Low	94 Å²	94	50.8 Å²	50.8	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-68.2	-38.8	171	-75.3	156	-166.3	0	0	111.2	G406 N407 H414 K712	G406-E410 WeakPolarHBondContact CA-OE2 3.33Å; N407-E410 VanDerWaalsContact CG-CD 3.46Å; N407-E410 PolarHBondContact N-OE2 2.91Å; N407-E410 PolarHBondContact ND2-OE1 3.48Å; N407-E410 WeakPolarHBondContact O-CA 3.28Å; N407-E410 WeakPolarHBondContact O-CB 3.19Å; N407-E410 PolarHBondContact O-N 3.35Å; N407-E410 VanDerWaalsContact OD1-CG 3.32Å; N407-E410 WeakPolarHBondContact OD1-CG 3.28Å; N407-E410 PolarHBondContact OD1-N 3.46Å; E410-H414 VanDerWaalsContact O-CB 3.26Å; E410-H414 WeakPolarHBondContact O-CB 3.5Å; E410-H414 PolarHBondContact O-N 2.8Å; E410-K712 IonicContact OE2-NZ 3.22Å
411	L	67.3	Low	64.7	Low	2 Å²	2	52.5 Å²	52.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-65.6	-51.2	174.3	176.8	58	0	0	0	111.5	L300 L301 L304 F401 N407 F408 K413 H414 L415	L300-L411 HydrophobicContact CD1-CD2 4.22Å; L300-L411 HydrophobicContact CG-CD2 4.32Å; L301-L411 HydrophobicContact CD2-CD2 4.29Å; L304-L411 HydrophobicContact CD1-CD1 4.25Å; L304-L411 HydrophobicContact CD2-CD1 3.62Å; L304-L411 HydrophobicContact CG-CD1 4Å; F401-L411 HydrophobicContact CE1-CD2 4.49Å; F401-L411 HydrophobicContact CZ-CD2 3.79Å; N407-L411 PolarHBondContact O-N 2.92Å; F408-L411 PolarHBondContact O-N 3.18Å; L411-K413 PolarHBondContact O-N 2.83Å; L411-H414 CarbonylContact O-C 3.57Å; L411-H414 WeakPolarHBondContact O-CA 3.22Å; L411-H414 WeakPolarHBondContact O-CB 3.46Å; L411-H414 PolarHBondContact O-N 2.86Å; L411-L415 HydrophobicContact CD1-CD1 4.01Å; L411-L415 HydrophobicContact CD1-CD2 4.5Å; L411-L415 HydrophobicContact CD1-CG 4.06Å; L411-L415 HydrophobicContact CG-CD1 3.93Å; L411-L415 HydrophobicContact CG-CG 4.42Å; L411-L415 WeakPolarHBondContact O-CG 3.37Å; L411-L415 PolarHBondContact O-N 3.42Å
412	Q	62.6	Low	63.3	Low	79 Å²	79	57.1 Å²	57.1	37%	0.369	30%	0.297	S	S	.	.	H	α-helix	trans	-59.1	-47.3	179.2	-179.1	173.6	-15.9	0	0	111.1	F408 H414 L415 E416	F408-Q412 HydrophobicContact CD1-CB 4.47Å; F408-Q412 HydrophobicContact CE1-CB 4.3Å; F408-Q412 WeakPolarHBondContact O-CB 3.43Å; F408-Q412 PolarHBondContact O-N 3.07Å; Q412-H414 PolarHBondContact O-N 3.24Å; Q412-L415 PolarHBondContact O-N 3.26Å; Q412-L415 VanDerWaalsContact O-N 3.12Å; Q412-E416 HydrophobicContact CG-CG 4.21Å; Q412-E416 VanDerWaalsContact CG-OE1 3.31Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.43Å; Q412-E416 PolarHBondContact NE2-OE1 2.93Å; Q412-E416 WeakPolarHBondContact O-CB 3.42Å; Q412-E416 VanDerWaalsContact O-CG 3.31Å; Q412-E416 WeakPolarHBondContact O-CG 3.32Å; Q412-E416 PolarHBondContact O-N 3.34Å
413	K	66.8	Low	61.7	Low	143 Å²	143	61.1 Å²	61.1	62%	0.622	32%	0.318	S	S	*	.	H	α-helix	trans	-62	-30.1	174	-73.6	170.8	-175.9	171.7	0	113.2	N409 L411 G417	N409-K413 VanDerWaalsContact O-CB 3.3Å; N409-K413 WeakPolarHBondContact O-CB 3.37Å; N409-K413 WeakPolarHBondContact O-CD 3.43Å; N409-K413 WeakPolarHBondContact O-CG 3.35Å; N409-K413 PolarHBondContact O-N 3.17Å; L411-K413 PolarHBondContact O-N 2.83Å; K413-G417 WeakPolarHBondContact O-CA 3.36Å; K413-G417 PolarHBondContact O-N 3.03Å
414	H	65.8	Low	60.4	Low	70 Å²	70	65.1 Å²	65.1	32%	0.324	33%	0.331	S	S	.	.	H	α-helix	trans	-71.7	-40.6	173.9	-176.2	56.4	0	0	0	111.6	E410 L411 Q412 Y418	E410-H414 VanDerWaalsContact O-CB 3.26Å; E410-H414 WeakPolarHBondContact O-CB 3.5Å; E410-H414 PolarHBondContact O-N 2.8Å; L411-H414 CarbonylContact O-C 3.57Å; L411-H414 WeakPolarHBondContact O-CA 3.22Å; L411-H414 WeakPolarHBondContact O-CB 3.46Å; L411-H414 PolarHBondContact O-N 2.86Å; Q412-H414 PolarHBondContact O-N 3.24Å; H414-Y418 WeakPolarHBondContact O-CB 3.31Å; H414-Y418 PolarHBondContact O-N 2.92Å
415	L	57.9	Low	59	Low	28 Å²	28	68.5 Å²	68.5	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-68.4	-50.2	176.7	-64.4	166.4	0	0	0	111.6	L300 N303 L411 Q412 G417 Y418 V419	L300-L415 HydrophobicContact CD1-CD1 4.07Å; L300-L415 WeakPolarHBondContact O-CD1 3.37Å; N303-L415 HydrophobicContact CB-CD2 3.84Å; L411-L415 HydrophobicContact CD1-CD1 4.01Å; L411-L415 HydrophobicContact CD1-CD2 4.5Å; L411-L415 HydrophobicContact CD1-CG 4.06Å; L411-L415 HydrophobicContact CG-CD1 3.93Å; L411-L415 HydrophobicContact CG-CG 4.42Å; L411-L415 WeakPolarHBondContact O-CG 3.37Å; L411-L415 PolarHBondContact O-N 3.42Å; Q412-L415 PolarHBondContact O-N 3.26Å; Q412-L415 VanDerWaalsContact O-N 3.12Å; L415-G417 VanDerWaalsContact C-N 3.34Å; L415-G417 PolarHBondContact O-N 2.82Å; L415-Y418 PolarHBondContact O-N 3.13Å; L415-V419 WeakPolarHBondContact O-CG2 3.47Å; L415-V419 PolarHBondContact O-N 3.32Å
416	E	59.7	Low	57.7	Low	105 Å²	105	73.7 Å²	73.7	49%	0.491	38%	0.376	S	S	.	.	H	α-helix	trans	-57.8	-46.2	173.5	-69.6	170.3	171.3	0	0	111.1	Q412 A420	Q412-E416 HydrophobicContact CG-CG 4.21Å; Q412-E416 VanDerWaalsContact CG-OE1 3.31Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.43Å; Q412-E416 PolarHBondContact NE2-OE1 2.93Å; Q412-E416 WeakPolarHBondContact O-CB 3.42Å; Q412-E416 VanDerWaalsContact O-CG 3.31Å; Q412-E416 WeakPolarHBondContact O-CG 3.32Å; Q412-E416 PolarHBondContact O-N 3.34Å; E416-A420 VanDerWaalsContact O-CB 3.27Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 3.34Å
417	G	58.9	Low	56.5	Low	33 Å²	33	81.8 Å²	81.8	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-37.8	176.8	0	0	0	0	0	113.1	K413 L415 A420 T421	K413-G417 WeakPolarHBondContact O-CA 3.36Å; K413-G417 PolarHBondContact O-N 3.03Å; L415-G417 VanDerWaalsContact C-N 3.34Å; L415-G417 PolarHBondContact O-N 2.82Å; G417-A420 CarbonylContact O-C 3.59Å; G417-A420 PolarHBondContact O-N 3.39Å; G417-T421 WeakPolarHBondContact O-CG2 3.35Å; G417-T421 PolarHBondContact O-N 3.43Å; G417-T421 PolarHBondContact O-OG1 2.99Å
418	Y	54.5	Low	55.2	Low	95 Å²	95	85.7 Å²	85.7	37%	0.373	43%	0.425	S	S	.	.	H	α-helix	trans	-67.3	-47.7	178.6	-177.5	-109.5	0	0	0	111.4	N303 H414 L415 A420 T421 L422	N303-Y418 HydrophobicContact CB-CD1 3.82Å; N303-Y418 HydrophobicContact CB-CE1 3.92Å; H414-Y418 WeakPolarHBondContact O-CB 3.31Å; H414-Y418 PolarHBondContact O-N 2.92Å; L415-Y418 PolarHBondContact O-N 3.13Å; Y418-A420 VanDerWaalsContact C-N 3.32Å; Y418-A420 PolarHBondContact O-N 2.92Å; Y418-T421 WeakPolarHBondContact CA-OG1 3.24Å; Y418-T421 PolarHBondContact O-N 3.19Å; Y418-T421 PolarHBondContact O-OG1 3.25Å; Y418-L422 HydrophobicContact CD1-CD1 4.25Å; Y418-L422 HydrophobicContact CE1-CD1 3.98Å; Y418-L422 PolarHBondContact O-N 3.31Å; Y418-L422 VanDerWaalsContact O-N 3.09Å
419	V	52.7	Low	54.1	Low	84 Å²	84	94 Å²	94	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-57.8	-46	172.4	174.1	0	0	0	0	110.4	L415 T421 L422	L415-V419 WeakPolarHBondContact O-CG2 3.47Å; L415-V419 PolarHBondContact O-N 3.32Å; V419-T421 PolarHBondContact O-N 2.94Å; V419-L422 PolarHBondContact O-N 2.97Å
420	A	52.7	Low	53.1	Low	46 Å²	46	99.3 Å²	99.3	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-68.2	-15.7	176.4	0	0	0	0	0	114.7	E416 G417 Y418 R424	E416-A420 VanDerWaalsContact O-CB 3.27Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 3.34Å; G417-A420 CarbonylContact O-C 3.59Å; G417-A420 PolarHBondContact O-N 3.39Å; Y418-A420 VanDerWaalsContact C-N 3.32Å; Y418-A420 PolarHBondContact O-N 2.92Å; A420-R424 VanDerWaalsContact O-CD 3.28Å; A420-R424 WeakPolarHBondContact O-CD 3.42Å; A420-R424 VanDerWaalsContact O-CG 3.3Å; A420-R424 WeakPolarHBondContact O-CG 3.32Å
421	T	49.8	Very low	51.9	Low	56 Å²	56	97.7 Å²	97.7	34%	0.344	48%	0.481	S	S	.	.	H	α-helix	trans	-84.7	-33.7	169.6	44.3	0	0	0	0	113.2	G417 Y418 V419 D423 R424 D425	G417-T421 WeakPolarHBondContact O-CG2 3.35Å; G417-T421 PolarHBondContact O-N 3.43Å; G417-T421 PolarHBondContact O-OG1 2.99Å; Y418-T421 WeakPolarHBondContact CA-OG1 3.24Å; Y418-T421 PolarHBondContact O-N 3.19Å; Y418-T421 PolarHBondContact O-OG1 3.25Å; V419-T421 PolarHBondContact O-N 2.94Å; T421-D423 PolarHBondContact O-N 2.73Å; T421-R424 CarbonylContact O-C 3.4Å; T421-R424 WeakPolarHBondContact O-CA 3.48Å; T421-R424 PolarHBondContact O-N 3.34Å; T421-D425 WeakPolarHBondContact O-CB 3.39Å; T421-D425 PolarHBondContact O-N 2.7Å
422	L	47	Very low	50.4	Low	98 Å²	98	107.4 Å²	107.4	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-59.3	-46	177.6	-69	168.3	0	0	0	111.2	Y418 V419 R424 D425	Y418-L422 HydrophobicContact CD1-CD1 4.25Å; Y418-L422 HydrophobicContact CE1-CD1 3.98Å; Y418-L422 PolarHBondContact O-N 3.31Å; Y418-L422 VanDerWaalsContact O-N 3.09Å; V419-L422 PolarHBondContact O-N 2.97Å; L422-R424 PolarHBondContact O-N 3.44Å; L422-R424 VanDerWaalsContact O-N 3.17Å; L422-D425 PolarHBondContact O-N 3.22Å
423	D	44.4	Very low	49.3	Very low	124 Å²	124	113.9 Å²	113.9	66%	0.663	55%	0.55	S	S	*	.	H	α-helix	trans	-62.4	-19.2	173.8	-96.3	-18.2	0	0	0	114.9	T421	T421-D423 PolarHBondContact O-N 2.73Å
424	R	48.3	Very low	47.9	Very low	158 Å²	158	112.4 Å²	112.4	60%	0.596	56%	0.558	S	S	*	*	H	α-helix	trans	-98.8	-31.7	-178	-73.6	178.2	170.9	-179.7	-3.4	112.7	A420 T421 L422 K427 K428	A420-R424 VanDerWaalsContact O-CD 3.28Å; A420-R424 WeakPolarHBondContact O-CD 3.42Å; A420-R424 VanDerWaalsContact O-CG 3.3Å; A420-R424 WeakPolarHBondContact O-CG 3.32Å; T421-R424 CarbonylContact O-C 3.4Å; T421-R424 WeakPolarHBondContact O-CA 3.48Å; T421-R424 PolarHBondContact O-N 3.34Å; L422-R424 PolarHBondContact O-N 3.44Å; L422-R424 VanDerWaalsContact O-N 3.17Å; R424-K427 CarbonylContact O-C 3.59Å; R424-K427 PolarHBondContact O-N 2.92Å; R424-K428 WeakPolarHBondContact O-CG 3.42Å; R424-K428 PolarHBondContact O-N 3.26Å
425	D	42.3	Very low	46.4	Very low	77 Å²	77	115.5 Å²	115.5	41%	0.412	58%	0.581	S	S	.	*	H	α-helix	trans	-80.6	-29	-169.5	-76.8	-10.6	0	0	0	113.3	T421 L422 K427 K428 R429	T421-D425 WeakPolarHBondContact O-CB 3.39Å; T421-D425 PolarHBondContact O-N 2.7Å; L422-D425 PolarHBondContact O-N 3.22Å; D425-K427 PolarHBondContact O-N 2.99Å; D425-K428 PolarHBondContact O-N 3.4Å; D425-K428 VanDerWaalsContact O-N 3.16Å; D425-R429 WeakPolarHBondContact O-CG 3.42Å; D425-R429 PolarHBondContact O-N 3.21Å
426	D	43.2	Very low	45.3	Very low	113 Å²	113	118.6 Å²	118.6	60%	0.604	61%	0.605	S	S	*	*	H	α-helix	trans	-64.5	-28.8	166.5	-88.2	-20.9	0	0	0	112.8	R429	D426-R429 IonicContact OD1-CZ 3.86Å; D426-R429 IonicContact OD1-NE 3.45Å; D426-R429 IonicContact OD1-NH1 3.16Å; D426-R429 PolarHBondContact OD1-NH1 2.87Å
427	K	45.4	Very low	44.1	Very low	174 Å²	174	125 Å²	125	76%	0.757	63%	0.625	S	S	*	*	H	α-helix	trans	-82.7	-23.7	172.5	-69.6	169.7	-176.6	159.2	0	113	R424 D425	R424-K427 CarbonylContact O-C 3.59Å; R424-K427 PolarHBondContact O-N 2.92Å; D425-K427 PolarHBondContact O-N 2.99Å
428	K	42.8	Very low	43	Very low	125 Å²	125	131.5 Å²	131.5	54%	0.543	65%	0.646	S	S	.	*	H	α-helix	trans	-89.9	-15.4	178.3	-77	178.8	174.8	179.8	0	115	R424 D425 H430 A431	R424-K428 WeakPolarHBondContact O-CG 3.42Å; R424-K428 PolarHBondContact O-N 3.26Å; D425-K428 PolarHBondContact O-N 3.4Å; D425-K428 VanDerWaalsContact O-N 3.16Å; K428-H430 PolarHBondContact O-N 3.12Å; K428-A431 PolarHBondContact O-N 2.91Å
429	R	41.3	Very low	42.2	Very low	193 Å²	193	135.3 Å²	135.3	73%	0.728	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-22.5	176.8	-85.7	166.4	175	167.7	-3.8	114.1	D425 D426	D425-R429 WeakPolarHBondContact O-CG 3.42Å; D425-R429 PolarHBondContact O-N 3.21Å; D426-R429 IonicContact OD1-CZ 3.86Å; D426-R429 IonicContact OD1-NE 3.45Å; D426-R429 IonicContact OD1-NH1 3.16Å; D426-R429 PolarHBondContact OD1-NH1 2.87Å
430	H	45.1	Very low	41.7	Very low	189 Å²	189	136.5 Å²	136.5	88%	0.875	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	3.3	173.2	-73.7	-76.2	0	0	0	115.8	K428	K428-H430 PolarHBondContact O-N 3.12Å
431	A	41.7	Very low	41.6	Very low	60 Å²	60	141.2 Å²	141.2	50%	0.496	69%	0.693	S	S	.	*	S	Bend	trans	-131.6	92	-171.8	0	0	0	0	0	114.2	K428	K428-A431 PolarHBondContact O-N 2.91Å
432	K	35.8	Very low	42	Very low	205 Å²	205	144.1 Å²	144.1	89%	0.891	71%	0.713	S	S	*	*			trans	62.4	106.9	163.4	-62.7	179.4	178.5	177.2	0	117.4	S434	K432-S434 PolarHBondContact O-N 2.95Å
433	K	40.2	Very low	42.8	Very low	215 Å²	215	143.4 Å²	143.4	94%	0.935	71%	0.71	S	S	*	*			trans	-66.5	119.3	159	-75	178.3	176.3	174.2	0	110.5
434	S	36.7	Very low	44.1	Very low	113 Å²	113	139.6 Å²	139.6	79%	0.79	69%	0.693	S	S	*	*			trans	-141.2	80.8	162.8	60.9	0	0	0	0	110.2	K432	K432-S434 PolarHBondContact O-N 2.95Å
435	V	34.8	Very low	45.4	Very low	134 Å²	134	136.8 Å²	136.8	81%	0.812	70%	0.695	S	S	*	*			trans	-75.1	131.7	176.5	-179	0	0	0	0	109.4	R437	V435-R437 PolarHBondContact O-N 3.05Å; V435-R437 VanDerWaalsContact O-N 3.12Å
436	S	34.3	Very low	47.2	Very low	94 Å²	94	137.7 Å²	137.7	66%	0.657	70%	0.699	S	S	*	*			trans	-64.7	107.9	175.8	38	0	0	0	0	111	H438	S436-H438 PolarHBondContact O-N 3.28Å
437	R	33.8	Very low	49.1	Very low	238 Å²	238	132.6 Å²	132.6	90%	0.898	67%	0.672	S	S	*	*			trans	-66.6	91.6	170.5	-89	-179.8	163.7	171.3	-5.4	110.2	V435 Q439	V435-R437 PolarHBondContact O-N 3.05Å; V435-R437 VanDerWaalsContact O-N 3.12Å; R437-Q439 PolarHBondContact O-N 2.99Å
438	H	36.7	Very low	50.8	Low	170 Å²	170	126.5 Å²	126.5	79%	0.787	65%	0.649	S	S	*	*			trans	-65.4	113.9	154.3	-73.7	-1.9	0	0	0	107.9	S436 S440	S436-H438 PolarHBondContact O-N 3.28Å; H438-S440 PolarHBondContact O-N 2.75Å
439	Q	38	Very low	52.8	Low	176 Å²	176	126.5 Å²	126.5	82%	0.822	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.4	-173.4	-67.8	174.9	-9.9	0	0	110.2	R437 Q441	R437-Q439 PolarHBondContact O-N 2.99Å; Q439-Q441 PolarHBondContact O-N 3.08Å
440	S	41.7	Very low	54.8	Low	108 Å²	108	118.2 Å²	118.2	76%	0.755	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-59.4	124.8	149.1	49.4	0	0	0	0	107.6	H438	H438-S440 PolarHBondContact O-N 2.75Å
441	Q	50.4	Low	56.7	Low	145 Å²	145	113.2 Å²	113.2	68%	0.678	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-55.7	136.7	168.1	-81.3	-173.5	-26.5	0	0	108.5	Q439	Q439-Q441 PolarHBondContact O-N 3.08Å
442	P	57.2	Low	58.8	Low	118 Å²	118	116.2 Å²	116.2	77%	0.766	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-61	156.7	173.7	27.7	-34.3	0	0	0	109.9	S444	P442-S444 PolarHBondContact O-N 2.85Å
443	L	63.8	Low	61.1	Low	83 Å²	83	108.2 Å²	108.2	44%	0.435	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-62.4	136.8	170.7	-56.2	-179	0	0	0	108.6	F447 V448 R522	L443-F447 HydrophobicContact CB-CD1 4.27Å; L443-F447 HydrophobicContact CD1-CD1 4.25Å; L443-F447 HydrophobicContact CD1-CE1 4.36Å; L443-F447 HydrophobicContact CD2-CD1 4.07Å; L443-F447 HydrophobicContact CD2-CE1 4.16Å; L443-F447 HydrophobicContact CG-CD1 4.43Å; L443-V448 HydrophobicContact CB-CG2 3.55Å; L443-V448 HydrophobicContact CD1-CG2 3.82Å; L443-V448 HydrophobicContact CG-CG2 4.31Å; L443-R522 VanDerWaalsContact CD2-CD 3.44Å; L443-R522 HydrophobicContact CD2-CG 4.17Å
444	S	73.1	Confident	63.2	Low	44 Å²	44	98 Å²	98	31%	0.308	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-56.9	132	167.2	48.4	0	0	0	0	108.6	P442 D446 F447 V448	P442-S444 PolarHBondContact O-N 2.85Å; S444-D446 PolarHBondContact O-N 2.9Å; S444-D446 VanDerWaalsContact O-N 3.17Å; S444-F447 WeakPolarHBondContact O-CA 3.49Å; S444-F447 WeakPolarHBondContact O-CB 3.46Å; S444-F447 PolarHBondContact O-N 3.01Å; S444-F447 VanDerWaalsContact OG-CB 3.31Å; S444-F447 WeakPolarHBondContact OG-CB 3.26Å; S444-V448 PolarHBondContact O-N 2.88Å
445	P	75.8	Confident	65.5	Low	98 Å²	98	96.2 Å²	96.2	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-49.9	-45.1	-176	-30.5	36.6	0	0	0	112.9	F447 V448 Q449	P445-F447 VanDerWaalsContact C-N 3.26Å; P445-F447 PolarHBondContact O-N 3.12Å; P445-V448 WeakPolarHBondContact O-CA 3.35Å; P445-V448 WeakPolarHBondContact O-CB 3.44Å; P445-V448 PolarHBondContact O-N 2.82Å; P445-Q449 PolarHBondContact O-N 3Å
446	D	79.6	Confident	67.9	Low	96 Å²	96	95.3 Å²	95.3	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-56.9	-34.4	176.8	-4.9	-51.4	0	0	0	112.7	S444 L450	S444-D446 PolarHBondContact O-N 2.9Å; S444-D446 VanDerWaalsContact O-N 3.17Å; D446-L450 WeakPolarHBondContact O-CB 3.44Å; D446-L450 WeakPolarHBondContact O-CD1 3.41Å; D446-L450 WeakPolarHBondContact O-CG 3.31Å; D446-L450 PolarHBondContact O-N 3.02Å
447	F	82.3	Confident	70.3	Confident	6 Å²	6	91.4 Å²	91.4	3%	0.026	48%	0.476	C	S	.	.	H	α-helix	trans	-71.5	-33.1	175	175.1	-106.3	0	0	0	112.4	L443 S444 P445 K451 K528 Y530	L443-F447 HydrophobicContact CB-CD1 4.27Å; L443-F447 HydrophobicContact CD1-CD1 4.25Å; L443-F447 HydrophobicContact CD1-CE1 4.36Å; L443-F447 HydrophobicContact CD2-CD1 4.07Å; L443-F447 HydrophobicContact CD2-CE1 4.16Å; L443-F447 HydrophobicContact CG-CD1 4.43Å; S444-F447 WeakPolarHBondContact O-CA 3.49Å; S444-F447 WeakPolarHBondContact O-CB 3.46Å; S444-F447 PolarHBondContact O-N 3.01Å; S444-F447 VanDerWaalsContact OG-CB 3.31Å; S444-F447 WeakPolarHBondContact OG-CB 3.26Å; P445-F447 VanDerWaalsContact C-N 3.26Å; P445-F447 PolarHBondContact O-N 3.12Å; F447-K451 HydrophobicContact CE1-CD 4.48Å; F447-K451 HydrophobicContact CZ-CD 4.18Å; F447-K451 WeakPolarHBondContact O-CB 3.39Å; F447-K451 PolarHBondContact O-N 3.44Å; F447-K451 VanDerWaalsContact O-N 3.09Å; F447-K528 HydrophobicContact CD2-CB 4.13Å; F447-K528 HydrophobicContact CD2-CD 3.67Å; F447-K528 HydrophobicContact CD2-CG 4.21Å; F447-K528 HydrophobicContact CE2-CB 3.88Å; F447-K528 HydrophobicContact CE2-CD 4.26Å; F447-K528 HydrophobicContact CE2-CG 4.32Å; F447-K528 HydrophobicContact CG-CD 4.3Å; F447-Y530 AromaticContact CD2-CD1 3.87Å; F447-Y530 HydrophobicContact CD2-CD1 3.87Å; F447-Y530 AromaticContact CD2-CE1 3.34Å; F447-Y530 HydrophobicContact CD2-CE1 3.34Å; F447-Y530 AromaticContact CD2-CZ 3.97Å; F447-Y530 AromaticContact CE2-CD1 3.75Å; F447-Y530 HydrophobicContact CE2-CD1 3.75Å; F447-Y530 AromaticContact CE2-CE1 3.67Å; F447-Y530 HydrophobicContact CE2-CE1 3.67Å; F447-Y530 HydrophobicContact CE2-CG 4.45Å; F447-Y530 HydrophobicContact CG-CE1 4.45Å
448	V	81.4	Confident	72.6	Confident	47 Å²	47	82.5 Å²	82.5	29%	0.285	45%	0.45	S	S	.	.	H	α-helix	trans	-68.5	-52.6	174.4	-175.1	0	0	0	0	109.1	L443 S444 P445 L450 K451 E452	L443-V448 HydrophobicContact CB-CG2 3.55Å; L443-V448 HydrophobicContact CD1-CG2 3.82Å; L443-V448 HydrophobicContact CG-CG2 4.31Å; S444-V448 PolarHBondContact O-N 2.88Å; P445-V448 WeakPolarHBondContact O-CA 3.35Å; P445-V448 WeakPolarHBondContact O-CB 3.44Å; P445-V448 PolarHBondContact O-N 2.82Å; V448-L450 PolarHBondContact O-N 2.79Å; V448-K451 PolarHBondContact O-N 3.01Å; V448-E452 HydrophobicContact CG1-CG 4.42Å; V448-E452 WeakPolarHBondContact CG1-OE1 3.31Å; V448-E452 WeakPolarHBondContact O-CG 3.31Å; V448-E452 PolarHBondContact O-N 3.3Å
449	Q	84.5	Confident	74.5	Confident	125 Å²	125	79 Å²	79	58%	0.584	45%	0.445	S	S	*	.	H	α-helix	trans	-55.7	-48.9	178.6	-175.1	-178.4	7.2	0	0	112.3	P445 K451 E452 M453	P445-Q449 PolarHBondContact O-N 3Å; Q449-K451 VanDerWaalsContact C-N 3.31Å; Q449-K451 PolarHBondContact O-N 3.28Å; Q449-E452 PolarHBondContact O-N 2.81Å; Q449-M453 VanDerWaalsContact O-CB 3.29Å; Q449-M453 WeakPolarHBondContact O-CB 3.44Å; Q449-M453 PolarHBondContact O-N 3.06Å
450	L	84.3	Confident	76.3	Confident	19 Å²	19	75.4 Å²	75.4	10%	0.099	44%	0.439	C	S	.	.	H	α-helix	trans	-65	-34.6	177.3	-70.4	172.2	0	0	0	112.3	D446 V448 M453 V454 M490 F492 Y530	D446-L450 WeakPolarHBondContact O-CB 3.44Å; D446-L450 WeakPolarHBondContact O-CD1 3.41Å; D446-L450 WeakPolarHBondContact O-CG 3.31Å; D446-L450 PolarHBondContact O-N 3.02Å; V448-L450 PolarHBondContact O-N 2.79Å; L450-M453 HydrophobicContact CD2-CE 3.95Å; L450-M453 HydrophobicContact CD2-SD 4.02Å; L450-V454 WeakPolarHBondContact O-CG1 3.41Å; L450-V454 WeakPolarHBondContact O-CG2 3.43Å; L450-V454 PolarHBondContact O-N 2.9Å; L450-V454 VanDerWaalsContact O-N 3.11Å; L450-M490 HydrophobicContact CD1-SD 4.19Å; L450-M490 HydrophobicContact CD2-CE 3.89Å; L450-M490 HydrophobicContact CD2-CG 3.47Å; L450-M490 VanDerWaalsContact CD2-CG 3.47Å; L450-M490 HydrophobicContact CD2-SD 3.46Å; L450-M490 WeakPolarHBondContact CD2-SD 3.35Å; L450-M490 HydrophobicContact CG-SD 4.47Å; L450-F492 HydrophobicContact CB-CZ 4.44Å; L450-F492 HydrophobicContact CD2-CZ 4.01Å; L450-Y530 HydrophobicContact CB-CD1 4.01Å; L450-Y530 HydrophobicContact CB-CE1 3.56Å; L450-Y530 HydrophobicContact CD1-CE1 4.06Å; L450-Y530 HydrophobicContact CG-CE1 4.48Å
451	K	84.1	Confident	78.3	Confident	83 Å²	83	77.9 Å²	77.9	36%	0.361	43%	0.432	S	S	.	.	H	α-helix	trans	-72.9	-36.4	177.1	-171.4	166.1	-176	167.8	0	112.4	F447 V448 Q449 S455 Y530	F447-K451 HydrophobicContact CE1-CD 4.48Å; F447-K451 HydrophobicContact CZ-CD 4.18Å; F447-K451 WeakPolarHBondContact O-CB 3.39Å; F447-K451 PolarHBondContact O-N 3.44Å; F447-K451 VanDerWaalsContact O-N 3.09Å; V448-K451 PolarHBondContact O-N 3.01Å; Q449-K451 VanDerWaalsContact C-N 3.31Å; Q449-K451 PolarHBondContact O-N 3.28Å; K451-S455 WeakPolarHBondContact O-CB 3.29Å; K451-S455 PolarHBondContact O-N 2.8Å; K451-S455 VanDerWaalsContact O-N 3.15Å; K451-Y530 HydrophobicContact CB-CD1 4.35Å; K451-Y530 VanDerWaalsContact CE-O 3.28Å; K451-Y530 WeakPolarHBondContact CE-O 3.4Å
452	E	85.8	Confident	79.7	Confident	123 Å²	123	71.4 Å²	71.4	58%	0.575	40%	0.402	S	S	*	.	H	α-helix	trans	-67.2	-47.1	174	-73.1	171.9	176.3	0	0	110.7	V448 Q449 V454 S455	V448-E452 HydrophobicContact CG1-CG 4.42Å; V448-E452 WeakPolarHBondContact CG1-OE1 3.31Å; V448-E452 WeakPolarHBondContact O-CG 3.31Å; V448-E452 PolarHBondContact O-N 3.3Å; Q449-E452 PolarHBondContact O-N 2.81Å; E452-V454 PolarHBondContact O-N 2.91Å; E452-S455 VanDerWaalsContact O-CB 3.31Å; E452-S455 WeakPolarHBondContact O-CB 3.43Å; E452-S455 PolarHBondContact O-N 2.83Å; E452-S455 PolarHBondContact O-OG 3.29Å
453	M	84.1	Confident	81.2	Confident	38 Å²	38	69 Å²	69	19%	0.187	38%	0.38	C	S	.	.	H	α-helix	trans	-50.1	-57.6	172.6	173.7	-161.4	-68.8	0	0	112.1	Q449 L450 S455 V456 V485 E488 M490	Q449-M453 VanDerWaalsContact O-CB 3.29Å; Q449-M453 WeakPolarHBondContact O-CB 3.44Å; Q449-M453 PolarHBondContact O-N 3.06Å; L450-M453 HydrophobicContact CD2-CE 3.95Å; L450-M453 HydrophobicContact CD2-SD 4.02Å; M453-S455 PolarHBondContact O-N 2.98Å; M453-V456 PolarHBondContact O-N 3Å; M453-V485 HydrophobicContact SD-CG2 4.39Å; M453-E488 WeakPolarHBondContact CE-OE2 3.32Å; M453-M490 HydrophobicContact SD-CG 4.44Å
454	V	86	Confident	82.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-5.7	-179.3	-50.8	0	0	0	0	113.6	L450 E452 V456 F457 F492 R531 L542	L450-V454 WeakPolarHBondContact O-CG1 3.41Å; L450-V454 WeakPolarHBondContact O-CG2 3.43Å; L450-V454 PolarHBondContact O-N 2.9Å; L450-V454 VanDerWaalsContact O-N 3.11Å; E452-V454 PolarHBondContact O-N 2.91Å; V454-V456 VanDerWaalsContact C-N 3.34Å; V454-F457 HydrophobicContact CB-CD2 4.04Å; V454-F457 HydrophobicContact CB-CE2 3.76Å; V454-F457 HydrophobicContact CB-CZ 4.19Å; V454-F457 HydrophobicContact CG1-CD2 4.45Å; V454-F457 HydrophobicContact CG1-CE2 3.68Å; V454-F457 HydrophobicContact CG1-CZ 3.89Å; V454-F492 HydrophobicContact CG1-CE1 4.25Å; V454-F492 HydrophobicContact CG1-CE2 3.86Å; V454-F492 HydrophobicContact CG1-CZ 3.57Å; V454-R531 HydrophobicContact CG2-CB 4.03Å; V454-R531 VanDerWaalsContact O-CD 3.25Å; V454-R531 WeakPolarHBondContact O-CD 2.98Å; V454-R531 PolarHBondContact O-NH1 3.35Å; V454-L542 HydrophobicContact CB-CD2 4.04Å; V454-L542 HydrophobicContact CG1-CD2 3.81Å; V454-L542 HydrophobicContact CG2-CD2 4.26Å
455	S	84.5	Confident	83.1	Confident	75 Å²	75	71.1 Å²	71.1	52%	0.524	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-25.5	172.4	81.1	0	0	0	0	112.4	K451 E452 M453 F457 R531	K451-S455 WeakPolarHBondContact O-CB 3.29Å; K451-S455 PolarHBondContact O-N 2.8Å; K451-S455 VanDerWaalsContact O-N 3.15Å; E452-S455 VanDerWaalsContact O-CB 3.31Å; E452-S455 WeakPolarHBondContact O-CB 3.43Å; E452-S455 PolarHBondContact O-N 2.83Å; E452-S455 PolarHBondContact O-OG 3.29Å; M453-S455 PolarHBondContact O-N 2.98Å; S455-F457 VanDerWaalsContact C-N 3.3Å; S455-F457 PolarHBondContact O-N 2.89Å; S455-R531 PolarHBondContact O-NH1 2.78Å
456	V	84.6	Confident	83.9	Confident	115 Å²	115	67 Å²	67	70%	0.697	36%	0.358	S	S	*	.	S	Bend	trans	-71.5	-23.3	179.4	-173.8	0	0	0	0	112.3	M453 V454 S458	M453-V456 PolarHBondContact O-N 3Å; V454-V456 VanDerWaalsContact C-N 3.34Å; V456-S458 PolarHBondContact O-N 2.95Å
457	F	85.7	Confident	84.6	Confident	13 Å²	13	67.3 Å²	67.3	6%	0.057	36%	0.356	C	S	.	.	S	Bend	trans	-59.5	133.1	-178.6	-57.6	-12.2	0	0	0	111.4	V454 S455 S459 H465 L466 V485 R531 F533	V454-F457 HydrophobicContact CB-CD2 4.04Å; V454-F457 HydrophobicContact CB-CE2 3.76Å; V454-F457 HydrophobicContact CB-CZ 4.19Å; V454-F457 HydrophobicContact CG1-CD2 4.45Å; V454-F457 HydrophobicContact CG1-CE2 3.68Å; V454-F457 HydrophobicContact CG1-CZ 3.89Å; S455-F457 VanDerWaalsContact C-N 3.3Å; S455-F457 PolarHBondContact O-N 2.89Å; F457-S459 PolarHBondContact O-N 3.03Å; F457-H465 HydrophobicContact CD1-CB 3.9Å; F457-H465 AromaticContact CD1-CD2 3.81Å; F457-H465 AromaticContact CD1-CG 3.83Å; F457-H465 HydrophobicContact CE1-CB 3.83Å; F457-H465 HydrophobicContact CG-CB 4.41Å; F457-H465 HydrophobicContact CZ-CB 4.25Å; F457-L466 HydrophobicContact CE2-CD2 4.13Å; F457-L466 HydrophobicContact CE2-CG 4.36Å; F457-L466 HydrophobicContact CZ-CD2 4.43Å; F457-V485 HydrophobicContact CZ-CG2 4.28Å; F457-R531 VanDerWaalsContact O-CZ 3.3Å; F457-R531 PolarHBondContact O-NH1 2.94Å; F457-R531 PolarHBondContact O-NH2 3.3Å; F457-F533 HydrophobicContact CD2-CZ 4.31Å
458	S	81.1	Confident	85.1	Confident	50 Å²	50	71.1 Å²	71.1	35%	0.35	38%	0.38	S	S	.	.			trans	-62.9	131	-179.7	178.3	0	0	0	0	111.5	V456 S460 R461 P462	V456-S458 PolarHBondContact O-N 2.95Å; S458-S460 PolarHBondContact O-N 3.37Å; S458-S460 PolarHBondContact OG-N 3.14Å; S458-S460 PolarHBondContact OG-OG 3.49Å; S458-R461 CarbonylContact O-C 3.58Å; S458-R461 VanDerWaalsContact O-C 3.27Å; S458-R461 PolarHBondContact O-N 3.33Å; S458-P462 WeakPolarHBondContact O-CA 3.15Å; S458-P462 WeakPolarHBondContact O-CB 3.41Å; S458-P462 WeakPolarHBondContact O-CD 3.24Å
459	S	76.3	Confident	85.8	Confident	97 Å²	97	71 Å²	71	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.5	173.4	-57.7	0	0	0	0	113.5	F457 R531	F457-S459 PolarHBondContact O-N 3.03Å; S459-R531 PolarHBondContact OG-NH2 3Å
460	S	76.9	Confident	86.2	Confident	101 Å²	101	65.7 Å²	65.7	71%	0.706	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-18.9	176.7	63.4	0	0	0	0	114	S458	S458-S460 PolarHBondContact O-N 3.37Å; S458-S460 PolarHBondContact OG-N 3.14Å; S458-S460 PolarHBondContact OG-OG 3.49Å
461	R	82.6	Confident	86.6	Confident	160 Å²	160	65.7 Å²	65.7	60%	0.604	36%	0.356	S	S	*	.	S	Bend	trans	-149.9	63.6	177.5	-63.5	-167.2	-173.2	174.3	0.4	111.5	S458 F463 D464	S458-R461 CarbonylContact O-C 3.58Å; S458-R461 VanDerWaalsContact O-C 3.27Å; S458-R461 PolarHBondContact O-N 3.33Å; R461-F463 PolarHBondContact O-N 3.26Å; R461-D464 HydrophobicContact CB-CB 4.39Å; R461-D464 WeakPolarHBondContact CD-OD2 3.38Å; R461-D464 IonicContact NH1-OD2 2.68Å; R461-D464 PolarHBondContact O-N 3.5Å
462	P	80.7	Confident	87	Confident	9 Å²	9	62.2 Å²	62.2	6%	0.058	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-68.6	-24.1	-173.3	26.9	-34.6	0	0	0	112.8	S458 F533	S458-P462 WeakPolarHBondContact O-CA 3.15Å; S458-P462 WeakPolarHBondContact O-CB 3.41Å; S458-P462 WeakPolarHBondContact O-CD 3.24Å; P462-F533 HydrophobicContact CB-CD1 3.34Å; P462-F533 HydrophobicContact CB-CD2 4.37Å; P462-F533 HydrophobicContact CB-CE1 3.34Å; P462-F533 HydrophobicContact CB-CE2 4.37Å; P462-F533 HydrophobicContact CB-CG 3.89Å; P462-F533 HydrophobicContact CB-CZ 3.89Å; P462-F533 HydrophobicContact CG-CB 4.1Å; P462-F533 HydrophobicContact CG-CD1 3.71Å; P462-F533 HydrophobicContact CG-CE1 4.23Å; P462-F533 HydrophobicContact CG-CG 3.88Å
463	F	88.8	Confident	87.1	Confident	67 Å²	67	56.8 Å²	56.8	29%	0.294	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-84.9	-10.6	-176.6	-46.5	-58.2	0	0	0	113.8	R461 H465 L466 L494 F533 Y540	R461-F463 PolarHBondContact O-N 3.26Å; F463-H465 PolarHBondContact O-N 3.02Å; F463-H465 VanDerWaalsContact O-N 3.15Å; F463-L466 HydrophobicContact CD1-CD1 4.28Å; F463-L466 PolarHBondContact O-N 2.96Å; F463-L494 HydrophobicContact CD1-CD2 4.22Å; F463-L494 HydrophobicContact CE1-CD1 4.36Å; F463-L494 HydrophobicContact CE1-CD2 3.92Å; F463-F533 HydrophobicContact CE1-CD2 4.21Å; F463-F533 HydrophobicContact CZ-CB 4.47Å; F463-Y540 AromaticContact CE1-CD1 3.98Å; F463-Y540 HydrophobicContact CE1-CD1 3.98Å; F463-Y540 HydrophobicContact CE1-CE1 4.1Å; F463-Y540 HydrophobicContact CE1-CG 4.34Å; F463-Y540 HydrophobicContact CE2-CE1 4.07Å; F463-Y540 HydrophobicContact CE2-CE2 4.02Å; F463-Y540 AromaticContact CE2-CZ 3.76Å; F463-Y540 AromaticContact CZ-CD1 3.59Å; F463-Y540 HydrophobicContact CZ-CD1 3.59Å; F463-Y540 AromaticContact CZ-CD2 3.81Å; F463-Y540 HydrophobicContact CZ-CD2 3.81Å; F463-Y540 AromaticContact CZ-CE1 3.48Å; F463-Y540 HydrophobicContact CZ-CE1 3.48Å; F463-Y540 VanDerWaalsContact CZ-CE1 3.48Å; F463-Y540 AromaticContact CZ-CE2 3.71Å; F463-Y540 HydrophobicContact CZ-CE2 3.71Å; F463-Y540 AromaticContact CZ-CG 3.75Å; F463-Y540 HydrophobicContact CZ-CG 3.75Å; F463-Y540 AromaticContact CZ-CZ 3.54Å
464	D	88.9	Confident	87.1	Confident	89 Å²	89	58 Å²	58	48%	0.476	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28.4	177.1	-76.5	12.1	0	0	0	111.5	R461 K486	R461-D464 HydrophobicContact CB-CB 4.39Å; R461-D464 WeakPolarHBondContact CD-OD2 3.38Å; R461-D464 IonicContact NH1-OD2 2.68Å; R461-D464 PolarHBondContact O-N 3.5Å; D464-K486 WeakPolarHBondContact O-CD 3.35Å; D464-K486 PolarHBondContact O-NZ 2.92Å
465	H	86.9	Confident	86.5	Confident	83 Å²	83	60.3 Å²	60.3	38%	0.384	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-87.9	-4.7	177.5	-57.3	-79.8	0	0	0	114.6	F457 F463 K486	F457-H465 HydrophobicContact CD1-CB 3.9Å; F457-H465 AromaticContact CD1-CD2 3.81Å; F457-H465 AromaticContact CD1-CG 3.83Å; F457-H465 HydrophobicContact CE1-CB 3.83Å; F457-H465 HydrophobicContact CG-CB 4.41Å; F457-H465 HydrophobicContact CZ-CB 4.25Å; F463-H465 PolarHBondContact O-N 3.02Å; F463-H465 VanDerWaalsContact O-N 3.15Å; H465-K486 PolarHBondContact O-N 3.22Å
466	L	92.5	Very high	85.8	Confident	12 Å²	12	59.8 Å²	59.8	6%	0.063	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.8	-172.1	-65.1	173.5	0	0	0	112.3	F457 F463 V483 K484 V485 K486 L542	F457-L466 HydrophobicContact CE2-CD2 4.13Å; F457-L466 HydrophobicContact CE2-CG 4.36Å; F457-L466 HydrophobicContact CZ-CD2 4.43Å; F463-L466 HydrophobicContact CD1-CD1 4.28Å; F463-L466 PolarHBondContact O-N 2.96Å; L466-V483 HydrophobicContact CD1-CG2 4.24Å; L466-V483 HydrophobicContact CD2-CG2 4.23Å; L466-K484 CarbonylContact C-O 3.58Å; L466-K484 WeakPolarHBondContact CA-O 3.29Å; L466-V485 HydrophobicContact CD2-CG2 4.13Å; L466-K486 WeakPolarHBondContact O-CE 3.34Å; L466-K486 PolarHBondContact O-NZ 3.23Å; L466-K486 VanDerWaalsContact O-NZ 3.1Å; L466-L542 HydrophobicContact CD1-CD1 4.48Å
467	E	94.1	Very high	85.3	Confident	102 Å²	102	57.8 Å²	57.8	48%	0.477	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.3	173.5	179.6	177.4	-154.6	0	0	109.1	I469 V483 K484 K486	E467-I469 HydrophobicContact CG-CD1 4.12Å; E467-V483 CarbonylContact O-C 3.56Å; E467-V483 WeakPolarHBondContact O-CA 3.36Å; E467-K484 PolarHBondContact N-O 2.88Å; E467-K484 PolarHBondContact O-N 3.42Å; E467-K486 HydrophobicContact CB-CG 4.34Å
468	V	94.1	Very high	85.3	Confident	85 Å²	85	57.9 Å²	57.9	52%	0.515	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.6	177.5	179.9	0	0	0	0	109.3	E481 V483	V468-E481 HydrophobicContact CG1-CB 4.3Å; V468-E481 WeakPolarHBondContact CG1-OE2 3.47Å; V468-V483 HydrophobicContact CG2-CG1 4.24Å
469	I	94.8	Very high	85.7	Confident	46 Å²	46	56.3 Å²	56.3	24%	0.236	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-48.3	-176.9	-56.1	-59.8	0	0	0	111.3	E467 L482 K484 T749 Y751	E467-I469 HydrophobicContact CG-CD1 4.12Å; I469-L482 HydrophobicContact CB-CB 4.36Å; I469-L482 HydrophobicContact CB-CD2 4.23Å; I469-L482 HydrophobicContact CB-CG 4.11Å; I469-L482 WeakPolarHBondContact CB-O 3.5Å; I469-L482 HydrophobicContact CG2-CD2 4.03Å; I469-L482 HydrophobicContact CG2-CG 4.47Å; I469-L482 PolarHBondContact N-O 3.2Å; I469-K484 HydrophobicContact CD1-CB 3.83Å; I469-K484 HydrophobicContact CD1-CD 4.31Å; I469-K484 HydrophobicContact CG1-CB 3.81Å; I469-T749 HydrophobicContact CD1-CG2 4.27Å; I469-T749 HydrophobicContact CG1-CG2 4.27Å; I469-T749 HydrophobicContact CG2-CG2 4.35Å; I469-Y751 HydrophobicContact CG2-CD1 4.4Å; I469-Y751 HydrophobicContact CG2-CE1 4.35Å
470	A	93.8	Very high	86.6	Confident	13 Å²	13	53.6 Å²	53.6	11%	0.107	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	155.4	-176.5	0	0	0	0	0	112.1	E481 L482 Y751	A470-E481 CarbonylContact O-C 3.59Å; A470-E481 WeakPolarHBondContact O-CA 3.42Å; A470-L482 PolarHBondContact N-O 2.78Å; A470-L482 PolarHBondContact O-N 2.83Å; A470-Y751 HydrophobicContact CB-CD1 3.63Å; A470-Y751 HydrophobicContact CB-CD2 3.77Å; A470-Y751 HydrophobicContact CB-CE1 3.66Å; A470-Y751 HydrophobicContact CB-CE2 3.79Å; A470-Y751 HydrophobicContact CB-CG 3.69Å
471	T	92.9	Very high	87.5	Confident	19 Å²	19	49.9 Å²	49.9	12%	0.117	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	119.4	164.8	-48.7	0	0	0	0	109.6	V474 R479 Y757	T471-V474 HydrophobicContact CG2-CG2 4.12Å; T471-R479 HydrophobicContact CG2-CG 4.15Å; T471-R479 PolarHBondContact OG1-NH1 2.82Å; T471-Y757 HydrophobicContact CG2-CD2 4.11Å; T471-Y757 HydrophobicContact CG2-CG 4.19Å
472	L	91.3	Very high	88.1	Confident	10 Å²	10	42.2 Å²	42.2	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-30.5	177.2	-64.4	177.1	0	0	0	112.2	V480 L482 A493 F754 Y757	L472-V480 HydrophobicContact CB-CG1 4.32Å; L472-V480 HydrophobicContact CD1-CG1 4.35Å; L472-V480 PolarHBondContact N-O 3.26Å; L472-L482 HydrophobicContact CD1-CB 3.96Å; L472-L482 HydrophobicContact CD1-CD1 4.47Å; L472-L482 HydrophobicContact CD2-CB 3.96Å; L472-L482 HydrophobicContact CD2-CD2 4.48Å; L472-L482 HydrophobicContact CG-CB 3.83Å; L472-A493 HydrophobicContact CD1-CB 4.19Å; L472-F754 HydrophobicContact CB-CD1 4.1Å; L472-F754 HydrophobicContact CB-CE1 4.21Å; L472-F754 HydrophobicContact CD2-CD1 4.01Å; L472-F754 HydrophobicContact CD2-CD2 3.7Å; L472-F754 HydrophobicContact CD2-CE1 4.15Å; L472-F754 HydrophobicContact CD2-CE2 3.85Å; L472-F754 HydrophobicContact CD2-CG 3.79Å; L472-F754 HydrophobicContact CD2-CZ 4.06Å; L472-F754 WeakPolarHBondContact O-CD1 3.05Å; L472-Y757 WeakPolarHBondContact O-CE2 3.35Å
473	G	87.8	Confident	88.9	Confident	9 Å²	9	41.9 Å²	41.9	9%	0.093	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	158.4	-178.5	0	0	0	0	0	113.9	V480	G473-V480 PolarHBondContact N-O 2.84Å; G473-V480 PolarHBondContact O-N 2.78Å
474	V	84.2	Confident	89.2	Confident	64 Å²	64	40.7 Å²	40.7	39%	0.388	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142	171	-176.7	0	0	0	0	108	R137 T471 Y757	R137-V474 PolarHBondContact NH1-O 2.72Å; T471-V474 HydrophobicContact CG2-CG2 4.12Å; V474-Y757 HydrophobicContact CB-CD1 4.34Å; V474-Y757 HydrophobicContact CG2-CD1 3.81Å; V474-Y757 HydrophobicContact CG2-CE1 4.43Å; V474-Y757 HydrophobicContact CG2-CG 4.03Å
475	G	75	Confident	89.4	Confident	48 Å²	48	36.8 Å²	36.8	50%	0.495	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	175.4	179.4	0	0	0	0	0	111.3	F477 G478	G475-F477 VanDerWaalsContact C-N 3.27Å; G475-F477 PolarHBondContact O-N 2.81Å; G475-F477 VanDerWaalsContact O-N 3.17Å; G475-G478 PolarHBondContact N-O 2.86Å; G475-G478 PolarHBondContact O-N 2.95Å
476	G	69.8	Low	89.5	Confident	64 Å²	64	38.5 Å²	38.5	66%	0.66	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-39.6	-172.2	0	0	0	0	0	114.3	H501	G476-H501 PolarHBondContact O-NE2 3.17Å
477	F	73.9	Confident	89.3	Confident	73 Å²	73	42.1 Å²	42.1	32%	0.32	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.4	-178.1	-63	-75.2	0	0	0	114.9	G475 I497 K498 H501 Q507	G475-F477 VanDerWaalsContact C-N 3.27Å; G475-F477 PolarHBondContact O-N 2.81Å; G475-F477 VanDerWaalsContact O-N 3.17Å; F477-I497 HydrophobicContact CB-CG2 4.3Å; F477-I497 WeakPolarHBondContact O-CA 3.21Å; F477-K498 PolarHBondContact O-N 3.4Å; F477-H501 AromaticContact CD1-CD2 3.66Å; F477-H501 AromaticContact CE1-CD2 3.99Å; F477-Q507 HydrophobicContact CE1-CB 4.11Å; F477-Q507 HydrophobicContact CE1-CG 3.73Å; F477-Q507 HydrophobicContact CZ-CG 3.92Å
478	G	84.6	Confident	89	Confident	14 Å²	14	41.3 Å²	41.3	14%	0.144	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.5	-133.9	-176.6	0	0	0	0	0	114.7	G475 M496	G475-G478 PolarHBondContact N-O 2.86Å; G475-G478 PolarHBondContact O-N 2.95Å; G478-M496 WeakPolarHBondContact CA-O 3.37Å
479	R	90.9	Very high	88.6	Confident	18 Å²	18	42.1 Å²	42.1	7%	0.068	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.7	-158.6	164	174.5	-80.7	-122.3	-10.7	111.9	T471 E481 K495 M496 P758	T471-R479 HydrophobicContact CG2-CG 4.15Å; T471-R479 PolarHBondContact OG1-NH1 2.82Å; R479-E481 WeakPolarHBondContact CD-OE1 3.21Å; R479-E481 HydrophobicContact CG-CG 3.7Å; R479-E481 IonicContact CZ-OE1 2.73Å; R479-E481 IonicContact NE-OE1 3.69Å; R479-E481 IonicContact NH1-OE1 3.61Å; R479-E481 PolarHBondContact NH1-OE1 2.79Å; R479-K495 CarbonylContact O-C 3.59Å; R479-K495 WeakPolarHBondContact O-CA 3.37Å; R479-M496 HydrophobicContact CB-CB 4.47Å; R479-M496 HydrophobicContact CG-SD 4.12Å; R479-M496 PolarHBondContact N-O 3.11Å; R479-M496 PolarHBondContact O-N 2.91Å; R479-P758 PolarHBondContact NH2-O 3.46Å
480	V	94.1	Very high	88.4	Confident	40 Å²	40	42.9 Å²	42.9	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.3	166.9	-173.8	0	0	0	0	109.2	L472 G473 A493 L494 K495	L472-V480 HydrophobicContact CB-CG1 4.32Å; L472-V480 HydrophobicContact CD1-CG1 4.35Å; L472-V480 PolarHBondContact N-O 3.26Å; G473-V480 PolarHBondContact N-O 2.84Å; G473-V480 PolarHBondContact O-N 2.78Å; V480-A493 HydrophobicContact CG1-CB 3.95Å; V480-L494 WeakPolarHBondContact CA-O 3.5Å; V480-K495 HydrophobicContact CG2-CB 4.31Å; V480-K495 HydrophobicContact CG2-CG 4.18Å
481	E	95.3	Very high	88.5	Confident	22 Å²	22	43 Å²	43	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.8	176.8	-54.4	-156.4	129.9	0	0	111.8	V468 A470 R479 V483 A493 L494 M496	V468-E481 HydrophobicContact CG1-CB 4.3Å; V468-E481 WeakPolarHBondContact CG1-OE2 3.47Å; A470-E481 CarbonylContact O-C 3.59Å; A470-E481 WeakPolarHBondContact O-CA 3.42Å; R479-E481 WeakPolarHBondContact CD-OE1 3.21Å; R479-E481 HydrophobicContact CG-CG 3.7Å; R479-E481 IonicContact CZ-OE1 2.73Å; R479-E481 IonicContact NE-OE1 3.69Å; R479-E481 IonicContact NH1-OE1 3.61Å; R479-E481 PolarHBondContact NH1-OE1 2.79Å; E481-V483 HydrophobicContact CB-CG1 4.34Å; E481-A493 CarbonylContact O-C 3.45Å; E481-A493 WeakPolarHBondContact O-CA 3.39Å; E481-L494 PolarHBondContact N-O 2.6Å; E481-L494 PolarHBondContact O-N 2.85Å; E481-M496 HydrophobicContact CG-SD 3.98Å
482	L	96.4	Very high	88.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	117.6	164.9	-177.5	59.7	0	0	0	107.7	I469 A470 L472 T491 A545 L547 Y751	I469-L482 HydrophobicContact CB-CB 4.36Å; I469-L482 HydrophobicContact CB-CD2 4.23Å; I469-L482 HydrophobicContact CB-CG 4.11Å; I469-L482 WeakPolarHBondContact CB-O 3.5Å; I469-L482 HydrophobicContact CG2-CD2 4.03Å; I469-L482 HydrophobicContact CG2-CG 4.47Å; I469-L482 PolarHBondContact N-O 3.2Å; A470-L482 PolarHBondContact N-O 2.78Å; A470-L482 PolarHBondContact O-N 2.83Å; L472-L482 HydrophobicContact CD1-CB 3.96Å; L472-L482 HydrophobicContact CD1-CD1 4.47Å; L472-L482 HydrophobicContact CD2-CB 3.96Å; L472-L482 HydrophobicContact CD2-CD2 4.48Å; L472-L482 HydrophobicContact CG-CB 3.83Å; L482-T491 HydrophobicContact CD1-CG2 4.4Å; L482-A545 HydrophobicContact CD1-CB 4.12Å; L482-L547 HydrophobicContact CD1-CD2 3.97Å; L482-L547 HydrophobicContact CD2-CD2 4.2Å; L482-Y751 HydrophobicContact CD2-CD1 4.44Å
483	V	96.3	Very high	88.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143	178.1	-60.4	0	0	0	0	110.7	L466 E467 V468 E481 T491 F492 L494 L542	L466-V483 HydrophobicContact CD1-CG2 4.24Å; L466-V483 HydrophobicContact CD2-CG2 4.23Å; E467-V483 CarbonylContact O-C 3.56Å; E467-V483 WeakPolarHBondContact O-CA 3.36Å; V468-V483 HydrophobicContact CG2-CG1 4.24Å; E481-V483 HydrophobicContact CB-CG1 4.34Å; V483-T491 CarbonylContact O-C 3.57Å; V483-T491 WeakPolarHBondContact O-CA 3.35Å; V483-F492 HydrophobicContact CG2-CB 3.98Å; V483-F492 PolarHBondContact N-O 2.88Å; V483-F492 PolarHBondContact O-N 2.89Å; V483-L494 HydrophobicContact CG1-CB 3.97Å; V483-L494 HydrophobicContact CG1-CD2 4.1Å; V483-L494 HydrophobicContact CG2-CB 4.1Å; V483-L542 HydrophobicContact CG2-CD1 4.02Å
484	K	95.4	Very high	89.3	Confident	42 Å²	42	42 Å²	42	18%	0.183	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.5	178.4	-177.3	166.2	175.9	163.7	0	110.7	L466 E467 I469 E488 D489 M490 T491 T749	L466-K484 CarbonylContact C-O 3.58Å; L466-K484 WeakPolarHBondContact CA-O 3.29Å; E467-K484 PolarHBondContact N-O 2.88Å; E467-K484 PolarHBondContact O-N 3.42Å; I469-K484 HydrophobicContact CD1-CB 3.83Å; I469-K484 HydrophobicContact CD1-CD 4.31Å; I469-K484 HydrophobicContact CG1-CB 3.81Å; K484-E488 WeakPolarHBondContact CE-O 3.09Å; K484-D489 WeakPolarHBondContact CE-OD1 3.45Å; K484-D489 IonicContact NZ-OD1 2.68Å; K484-D489 PolarHBondContact NZ-OD1 2.93Å; K484-M490 WeakPolarHBondContact CA-O 3.41Å; K484-T491 HydrophobicContact CB-CG2 4.03Å; K484-T491 HydrophobicContact CG-CG2 4.18Å; K484-T749 HydrophobicContact CD-CG2 3.79Å
485	V	92.7	Very high	89.9	Confident	8 Å²	8	40.3 Å²	40.3	5%	0.048	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.9	172.1	179.7	0	0	0	0	109.3	M453 F457 L466 G487 E488 M490 F492	M453-V485 HydrophobicContact SD-CG2 4.39Å; F457-V485 HydrophobicContact CZ-CG2 4.28Å; L466-V485 HydrophobicContact CD2-CG2 4.13Å; V485-G487 PolarHBondContact O-N 2.89Å; V485-E488 HydrophobicContact CB-CB 4.23Å; V485-E488 HydrophobicContact CG1-CB 4.25Å; V485-E488 HydrophobicContact CG1-CG 4.27Å; V485-E488 PolarHBondContact O-N 2.99Å; V485-E488 VanDerWaalsContact O-N 3.13Å; V485-M490 HydrophobicContact CG2-CB 4.37Å; V485-M490 PolarHBondContact N-O 2.93Å; V485-F492 HydrophobicContact CG2-CD2 4.21Å; V485-F492 HydrophobicContact CG2-CE2 3.71Å
486	K	90.3	Very high	90.8	Very high	118 Å²	118	39.3 Å²	39.3	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	119.5	-177.9	-72	175.2	-176.6	154.8	0	110.9	D464 H465 L466 E467	D464-K486 WeakPolarHBondContact O-CD 3.35Å; D464-K486 PolarHBondContact O-NZ 2.92Å; H465-K486 PolarHBondContact O-N 3.22Å; L466-K486 WeakPolarHBondContact O-CE 3.34Å; L466-K486 PolarHBondContact O-NZ 3.23Å; L466-K486 VanDerWaalsContact O-NZ 3.1Å; E467-K486 HydrophobicContact CB-CG 4.34Å
487	G	88.1	Confident	92	Very high	88 Å²	88	36.3 Å²	36.3	91%	0.907	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.4	-6.9	-179.6	0	0	0	0	0	115.3	V485	V485-G487 PolarHBondContact O-N 2.89Å
488	E	87.3	Confident	93	Very high	86 Å²	86	34.6 Å²	34.6	40%	0.402	20%	0.195	S	C	.	.	S	Bend	trans	-122.1	152.2	178	-62.7	-174	-157.4	0	0	111.3	M453 K484 V485 M490	M453-E488 WeakPolarHBondContact CE-OE2 3.32Å; K484-E488 WeakPolarHBondContact CE-O 3.09Å; V485-E488 HydrophobicContact CB-CB 4.23Å; V485-E488 HydrophobicContact CG1-CB 4.25Å; V485-E488 HydrophobicContact CG1-CG 4.27Å; V485-E488 PolarHBondContact O-N 2.99Å; V485-E488 VanDerWaalsContact O-N 3.13Å; E488-M490 HydrophobicContact CB-CB 4.26Å; E488-M490 PolarHBondContact O-N 3.45Å
489	D	87	Confident	93.5	Very high	101 Å²	101	34.1 Å²	34.1	54%	0.54	19%	0.189	S	C	.	.	S	Bend	trans	-85.9	47	174.3	-151.4	35.3	0	0	0	112.3	K484 P748	K484-D489 WeakPolarHBondContact CE-OD1 3.45Å; K484-D489 IonicContact NZ-OD1 2.68Å; K484-D489 PolarHBondContact NZ-OD1 2.93Å; D489-P748 HydrophobicContact CB-CG 4.37Å; D489-P748 WeakPolarHBondContact O-CG 3.35Å; D489-P748 WeakPolarHBondContact OD1-CG 3.06Å; D489-P748 WeakPolarHBondContact OD2-CD 3.5Å; D489-P748 WeakPolarHBondContact OD2-CG 3.02Å
490	M	90.1	Very high	93.5	Very high	62 Å²	62	36.7 Å²	36.7	31%	0.305	20%	0.201	S	C	.	.			trans	-120.3	132.4	-173.7	-171.8	51.5	55.5	0	0	111.8	L450 M453 K484 V485 E488 F492	L450-M490 HydrophobicContact CD1-SD 4.19Å; L450-M490 HydrophobicContact CD2-CE 3.89Å; L450-M490 HydrophobicContact CD2-CG 3.47Å; L450-M490 VanDerWaalsContact CD2-CG 3.47Å; L450-M490 HydrophobicContact CD2-SD 3.46Å; L450-M490 WeakPolarHBondContact CD2-SD 3.35Å; L450-M490 HydrophobicContact CG-SD 4.47Å; M453-M490 HydrophobicContact SD-CG 4.44Å; K484-M490 WeakPolarHBondContact CA-O 3.41Å; V485-M490 HydrophobicContact CG2-CB 4.37Å; V485-M490 PolarHBondContact N-O 2.93Å; E488-M490 HydrophobicContact CB-CB 4.26Å; E488-M490 PolarHBondContact O-N 3.45Å; M490-F492 HydrophobicContact CG-CE2 4Å; M490-F492 HydrophobicContact CG-CZ 4.19Å
491	T	94.9	Very high	93.3	Very high	15 Å²	15	38.3 Å²	38.3	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	144.9	-171.6	56.8	0	0	0	0	114.2	L482 V483 K484 P748 T749	L482-T491 HydrophobicContact CD1-CG2 4.4Å; V483-T491 CarbonylContact O-C 3.57Å; V483-T491 WeakPolarHBondContact O-CA 3.35Å; K484-T491 HydrophobicContact CB-CG2 4.03Å; K484-T491 HydrophobicContact CG-CG2 4.18Å; T491-P748 HydrophobicContact CG2-CB 4.1Å; T491-P748 WeakPolarHBondContact CG2-O 3.39Å; T491-P748 PolarHBondContact OG1-O 2.83Å; T491-T749 HydrophobicContact CG2-CG2 4.18Å
492	F	96.7	Very high	93	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	161.5	-179.7	-60.7	-86.7	0	0	0	111.2	L450 V454 V483 V485 M490 Y530 L542 L543	L450-F492 HydrophobicContact CB-CZ 4.44Å; L450-F492 HydrophobicContact CD2-CZ 4.01Å; V454-F492 HydrophobicContact CG1-CE1 4.25Å; V454-F492 HydrophobicContact CG1-CE2 3.86Å; V454-F492 HydrophobicContact CG1-CZ 3.57Å; V483-F492 HydrophobicContact CG2-CB 3.98Å; V483-F492 PolarHBondContact N-O 2.88Å; V483-F492 PolarHBondContact O-N 2.89Å; V485-F492 HydrophobicContact CG2-CD2 4.21Å; V485-F492 HydrophobicContact CG2-CE2 3.71Å; M490-F492 HydrophobicContact CG-CE2 4Å; M490-F492 HydrophobicContact CG-CZ 4.19Å; F492-Y530 AromaticContact CD1-CD2 3.65Å; F492-Y530 HydrophobicContact CD1-CD2 3.65Å; F492-Y530 AromaticContact CD1-CE2 3.77Å; F492-Y530 HydrophobicContact CD1-CE2 3.77Å; F492-Y530 HydrophobicContact CD1-CG 4.32Å; F492-Y530 HydrophobicContact CE1-CD1 4.19Å; F492-Y530 AromaticContact CE1-CD2 3.6Å; F492-Y530 HydrophobicContact CE1-CD2 3.6Å; F492-Y530 HydrophobicContact CE1-CE1 4.26Å; F492-Y530 AromaticContact CE1-CE2 3.68Å; F492-Y530 HydrophobicContact CE1-CE2 3.68Å; F492-Y530 AromaticContact CE1-CG 3.87Å; F492-Y530 HydrophobicContact CE1-CG 3.87Å; F492-L542 HydrophobicContact CB-CD1 3.53Å; F492-L542 HydrophobicContact CB-CG 3.93Å; F492-L542 HydrophobicContact CD1-CD2 4.38Å; F492-L542 HydrophobicContact CD1-CG 4.13Å; F492-L542 HydrophobicContact CD2-CD1 4.47Å; F492-L542 HydrophobicContact CD2-CD2 4.48Å; F492-L542 HydrophobicContact CG-CD1 4Å; F492-L542 HydrophobicContact CG-CD2 4.27Å; F492-L542 HydrophobicContact CG-CG 3.98Å; F492-L543 WeakPolarHBondContact CA-O 3.48Å
493	A	97.1	Very high	92.7	Very high	9 Å²	9	39.3 Å²	39.3	7%	0.074	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.2	169.1	0	0	0	0	0	109.7	L472 V480 E481 L543	L472-A493 HydrophobicContact CD1-CB 4.19Å; V480-A493 HydrophobicContact CG1-CB 3.95Å; E481-A493 CarbonylContact O-C 3.45Å; E481-A493 WeakPolarHBondContact O-CA 3.39Å; A493-L543 HydrophobicContact CB-CB 4.29Å; A493-L543 PolarHBondContact N-O 2.84Å; A493-L543 WeakPolarHBondContact O-CB 3.16Å; A493-L543 PolarHBondContact O-N 2.84Å
494	L	96.5	Very high	92.1	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	102.8	179.2	-175.8	64	0	0	0	110	F463 V480 E481 V483 M496 Y540 L542	F463-L494 HydrophobicContact CD1-CD2 4.22Å; F463-L494 HydrophobicContact CE1-CD1 4.36Å; F463-L494 HydrophobicContact CE1-CD2 3.92Å; V480-L494 WeakPolarHBondContact CA-O 3.5Å; E481-L494 PolarHBondContact N-O 2.6Å; E481-L494 PolarHBondContact O-N 2.85Å; V483-L494 HydrophobicContact CG1-CB 3.97Å; V483-L494 HydrophobicContact CG1-CD2 4.1Å; V483-L494 HydrophobicContact CG2-CB 4.1Å; L494-M496 HydrophobicContact CD2-CG 4.46Å; L494-M496 HydrophobicContact CG-CG 4.24Å; L494-M496 PolarHBondContact O-N 3.04Å; L494-Y540 HydrophobicContact CD1-CD1 4.06Å; L494-Y540 HydrophobicContact CD2-CD1 4.23Å; L494-Y540 HydrophobicContact CG-CD1 4.2Å; L494-L542 HydrophobicContact CD1-CD1 4.08Å
495	K	95.8	Very high	91.4	Very high	28 Å²	28	44.3 Å²	44.3	12%	0.122	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.2	172.3	-169.9	-176.9	-168.6	-174.3	0	108.4	R479 V480 I497 E514 Y540 M541 L543 D607	R479-K495 CarbonylContact O-C 3.59Å; R479-K495 WeakPolarHBondContact O-CA 3.37Å; V480-K495 HydrophobicContact CG2-CB 4.31Å; V480-K495 HydrophobicContact CG2-CG 4.18Å; K495-I497 HydrophobicContact CD-CD1 4.12Å; K495-I497 HydrophobicContact CG-CD1 4.22Å; K495-I497 HydrophobicContact CG-CG1 4.19Å; K495-E514 IonicContact NZ-OE1 2.62Å; K495-E514 PolarHBondContact NZ-OE1 3.33Å; K495-E514 IonicContact NZ-OE2 3.9Å; K495-E514 PolarHBondContact NZ-OE2 3.22Å; K495-Y540 CarbonylContact O-C 3.49Å; K495-Y540 VanDerWaalsContact O-CA 3.32Å; K495-Y540 WeakPolarHBondContact O-CA 3.29Å; K495-M541 HydrophobicContact CB-CB 4.22Å; K495-M541 HydrophobicContact CD-SD 4.35Å; K495-M541 PolarHBondContact N-O 3.4Å; K495-M541 PolarHBondContact O-N 2.86Å; K495-L543 HydrophobicContact CB-CD1 4.01Å; K495-L543 HydrophobicContact CD-CD1 4.45Å; K495-D607 IonicContact NZ-OD1 3.76Å; K495-D607 PolarHBondContact NZ-OD1 3.21Å
496	M	94.5	Very high	90.9	Very high	27 Å²	27	51.5 Å²	51.5	13%	0.133	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.3	177.9	-53	166.9	73.5	0	0	109.3	G478 R479 E481 L494 Y538 Y540	G478-M496 WeakPolarHBondContact CA-O 3.37Å; R479-M496 HydrophobicContact CB-CB 4.47Å; R479-M496 HydrophobicContact CG-SD 4.12Å; R479-M496 PolarHBondContact N-O 3.11Å; R479-M496 PolarHBondContact O-N 2.91Å; E481-M496 HydrophobicContact CG-SD 3.98Å; L494-M496 HydrophobicContact CD2-CG 4.46Å; L494-M496 HydrophobicContact CG-CG 4.24Å; L494-M496 PolarHBondContact O-N 3.04Å; M496-Y538 HydrophobicContact CB-CD1 4.2Å; M496-Y538 HydrophobicContact CE-CE1 4.34Å; M496-Y540 HydrophobicContact CB-CD1 4.35Å; M496-Y540 HydrophobicContact CB-CE1 4.35Å; M496-Y540 HydrophobicContact CE-CE1 4.05Å; M496-Y540 HydrophobicContact CG-CD1 3.89Å; M496-Y540 HydrophobicContact CG-CE1 3.87Å
497	I	94.5	Very high	90.7	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.1	-172.6	-65	164.7	0	0	0	109.7	F477 K495 K499 V502 I511 Y538 V539 M541	F477-I497 HydrophobicContact CB-CG2 4.3Å; F477-I497 WeakPolarHBondContact O-CA 3.21Å; K495-I497 HydrophobicContact CD-CD1 4.12Å; K495-I497 HydrophobicContact CG-CD1 4.22Å; K495-I497 HydrophobicContact CG-CG1 4.19Å; I497-K499 PolarHBondContact O-N 2.81Å; I497-V502 HydrophobicContact CG2-CG2 3.45Å; I497-V502 VanDerWaalsContact CG2-CG2 3.45Å; I497-I511 HydrophobicContact CD1-CD1 4.26Å; I497-I511 HydrophobicContact CD1-CG2 4.44Å; I497-I511 HydrophobicContact CG2-CD1 4.48Å; I497-Y538 WeakPolarHBondContact O-CA 3.5Å; I497-V539 HydrophobicContact CB-CG2 3.83Å; I497-V539 HydrophobicContact CD1-CG2 4.36Å; I497-V539 HydrophobicContact CG2-CG2 4.05Å; I497-V539 PolarHBondContact N-O 3.37Å; I497-V539 PolarHBondContact O-N 2.9Å; I497-M541 HydrophobicContact CD1-CE 4.06Å
498	K	94.3	Very high	90.8	Very high	37 Å²	37	44.9 Å²	44.9	16%	0.161	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.2	-174	-60.8	-168.7	-177.1	-168.7	0	110.3	F477 K500 H501 V502 Y538 D760 D762 P764	F477-K498 PolarHBondContact O-N 3.4Å; K498-K500 PolarHBondContact O-N 3.4Å; K498-H501 HydrophobicContact CB-CB 4.33Å; K498-H501 WeakPolarHBondContact O-CB 3.45Å; K498-H501 PolarHBondContact O-N 3.02Å; K498-V502 PolarHBondContact O-N 3.01Å; K498-Y538 HydrophobicContact CD-CE1 4.37Å; K498-Y538 HydrophobicContact CG-CD1 4.05Å; K498-Y538 HydrophobicContact CG-CE1 3.64Å; K498-D760 WeakPolarHBondContact CE-OD2 3.5Å; K498-D760 VanDerWaalsContact NZ-CG 3.31Å; K498-D760 IonicContact NZ-OD1 2.68Å; K498-D760 PolarHBondContact NZ-OD1 2.64Å; K498-D760 VanDerWaalsContact NZ-OD1 3.08Å; K498-D760 IonicContact NZ-OD2 3.69Å; K498-D760 PolarHBondContact NZ-OD2 3.24Å; K498-D762 PolarHBondContact NZ-O 3.34Å; K498-P764 HydrophobicContact CB-CB 4.3Å; K498-P764 HydrophobicContact CB-CG 4.14Å; K498-P764 HydrophobicContact CD-CB 4.29Å; K498-P764 HydrophobicContact CD-CG 4.14Å; K498-P764 HydrophobicContact CG-CG 4.08Å
499	K	94.7	Very high	90.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-54.1	-47.7	-170.2	-71.5	175.8	71	-179.3	0	113.3	I497 H501 V502 V503 D535 K537 V539 E767 W771 D772	I497-K499 PolarHBondContact O-N 2.81Å; K499-H501 PolarHBondContact O-N 2.86Å; K499-V502 WeakPolarHBondContact O-CB 3.44Å; K499-V502 PolarHBondContact O-N 3.38Å; K499-V503 PolarHBondContact O-N 2.97Å; K499-V503 VanDerWaalsContact O-N 3.15Å; K499-D535 WeakPolarHBondContact CD-O 3.29Å; K499-D535 PolarHBondContact NZ-O 3.43Å; K499-K537 WeakPolarHBondContact CB-O 3.09Å; K499-K537 PolarHBondContact N-O 2.91Å; K499-V539 HydrophobicContact CD-CG1 4.29Å; K499-V539 HydrophobicContact CG-CG1 4.09Å; K499-E767 HydrophobicContact CB-CB 3.75Å; K499-E767 HydrophobicContact CB-CG 4.17Å; K499-E767 WeakPolarHBondContact CE-O 3.45Å; K499-E767 WeakPolarHBondContact CE-OE2 3.4Å; K499-E767 PolarHBondContact NZ-O 2.92Å; K499-E767 IonicContact NZ-OE2 3.95Å; K499-W771 HydrophobicContact CG-CZ2 4.25Å; K499-D772 WeakPolarHBondContact CE-OD1 3.46Å; K499-D772 WeakPolarHBondContact CE-OD2 3.35Å; K499-D772 IonicContact NZ-OD1 2.67Å; K499-D772 PolarHBondContact NZ-OD1 3.07Å; K499-D772 IonicContact NZ-OD2 2.69Å; K499-D772 PolarHBondContact NZ-OD2 3.09Å
500	K	91.9	Very high	90.8	Very high	72 Å²	72	39.8 Å²	39.8	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-53.5	-40.5	177.8	-174.4	65.8	167.9	68	0	112.5	K498 V503 D504 P765	K498-K500 PolarHBondContact O-N 3.4Å; K500-V503 PolarHBondContact O-N 2.9Å; K500-D504 IonicContact NZ-OD1 2.9Å; K500-D504 PolarHBondContact NZ-OD1 3.13Å; K500-D504 IonicContact NZ-OD2 2.79Å; K500-D504 PolarHBondContact NZ-OD2 3.47Å; K500-D504 WeakPolarHBondContact O-CB 3.36Å; K500-D504 PolarHBondContact O-N 2.91Å; K500-P765 HydrophobicContact CB-CG 4.12Å; K500-P765 HydrophobicContact CD-CG 4.28Å; K500-P765 HydrophobicContact CG-CG 3.77Å
501	H	89.1	Confident	90.9	Very high	74 Å²	74	37.2 Å²	37.2	34%	0.343	18%	0.176	S	C	.	.	H	α-helix	trans	-72.6	-26.7	179.3	-172.8	87.7	0	0	0	112.9	G476 F477 K498 K499 N505	G476-H501 PolarHBondContact O-NE2 3.17Å; F477-H501 AromaticContact CD1-CD2 3.66Å; F477-H501 AromaticContact CE1-CD2 3.99Å; K498-H501 HydrophobicContact CB-CB 4.33Å; K498-H501 WeakPolarHBondContact O-CB 3.45Å; K498-H501 PolarHBondContact O-N 3.02Å; K499-H501 PolarHBondContact O-N 2.86Å; H501-N505 PolarHBondContact CE1-ND2 3.12Å; H501-N505 PolarHBondContact NE2-ND2 3.41Å; H501-N505 PolarHBondContact O-N 3.46Å; H501-N505 PolarHBondContact O-ND2 2.99Å
502	V	89.3	Confident	90.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.3	-48.7	171.8	-178.5	0	0	0	0	110.1	I497 K498 K499 N505 R506 Q507 E508 I511 W771	I497-V502 HydrophobicContact CG2-CG2 3.45Å; I497-V502 VanDerWaalsContact CG2-CG2 3.45Å; K498-V502 PolarHBondContact O-N 3.01Å; K499-V502 WeakPolarHBondContact O-CB 3.44Å; K499-V502 PolarHBondContact O-N 3.38Å; V502-N505 CarbonylContact O-C 3.54Å; V502-N505 PolarHBondContact O-N 3.22Å; V502-R506 PolarHBondContact O-N 3.3Å; V502-Q507 HydrophobicContact CG1-CB 4.03Å; V502-Q507 PolarHBondContact O-N 3.34Å; V502-E508 HydrophobicContact CG1-CG 4.15Å; V502-I511 HydrophobicContact CG1-CB 4.5Å; V502-I511 HydrophobicContact CG1-CG1 3.81Å; V502-I511 HydrophobicContact CG2-CG1 4.13Å; V502-W771 HydrophobicContact CB-CH2 4.31Å; V502-W771 HydrophobicContact CB-CZ2 4.08Å; V502-W771 HydrophobicContact CG1-CH2 3.82Å; V502-W771 HydrophobicContact CG1-CZ2 3.97Å; V502-W771 HydrophobicContact CG1-CZ3 4.35Å; V502-W771 HydrophobicContact CG2-CH2 4.38Å; V502-W771 HydrophobicContact CG2-CZ2 4.36Å
503	V	89.4	Confident	90.5	Very high	43 Å²	43	38.5 Å²	38.5	26%	0.261	18%	0.182	S	C	.	.	H	α-helix	trans	-66.1	-45.7	-179.6	178.1	0	0	0	0	111.5	K499 K500 N505 R506 E508 E767	K499-V503 PolarHBondContact O-N 2.97Å; K499-V503 VanDerWaalsContact O-N 3.15Å; K500-V503 PolarHBondContact O-N 2.9Å; V503-N505 PolarHBondContact O-N 3.49Å; V503-N505 VanDerWaalsContact O-N 3.1Å; V503-R506 PolarHBondContact O-N 3.38Å; V503-E508 HydrophobicContact CG2-CG 4.45Å; V503-E767 HydrophobicContact CG2-CG 3.96Å
504	D	84.6	Confident	90.4	Very high	97 Å²	97	38.1 Å²	38.1	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-60.7	-23.6	179.1	-71.6	-16.9	0	0	0	113.2	K500	K500-D504 IonicContact NZ-OD1 2.9Å; K500-D504 PolarHBondContact NZ-OD1 3.13Å; K500-D504 IonicContact NZ-OD2 2.79Å; K500-D504 PolarHBondContact NZ-OD2 3.47Å; K500-D504 WeakPolarHBondContact O-CB 3.36Å; K500-D504 PolarHBondContact O-N 2.91Å
505	N	79.8	Confident	90.3	Very high	51 Å²	51	40.1 Å²	40.1	27%	0.273	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	3.9	176.8	-68.6	-82.6	0	0	0	113.8	H501 V502 V503 Q507	H501-N505 PolarHBondContact CE1-ND2 3.12Å; H501-N505 PolarHBondContact NE2-ND2 3.41Å; H501-N505 PolarHBondContact O-N 3.46Å; H501-N505 PolarHBondContact O-ND2 2.99Å; V502-N505 CarbonylContact O-C 3.54Å; V502-N505 PolarHBondContact O-N 3.22Å; V503-N505 PolarHBondContact O-N 3.49Å; V503-N505 VanDerWaalsContact O-N 3.1Å; N505-Q507 HydrophobicContact CB-CG 3.82Å; N505-Q507 WeakPolarHBondContact O-CG 3.22Å; N505-Q507 PolarHBondContact O-N 3.46Å; N505-Q507 PolarHBondContact O-NE2 2.83Å
506	R	83.8	Confident	90.3	Very high	158 Å²	158	45.2 Å²	45.2	60%	0.596	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	46.8	-178.1	-59.2	171.5	173.9	-173.5	-2.9	113.9	E147 P148 V502 V503 E508	E147-R506 HydrophobicContact CG-CB 4.29Å; E147-R506 WeakPolarHBondContact OE2-CD 3.32Å; E147-R506 IonicContact OE2-CZ 3.85Å; E147-R506 IonicContact OE2-NE 3.58Å; E147-R506 IonicContact OE2-NH1 2.71Å; E147-R506 PolarHBondContact OE2-NH1 2.98Å; P148-R506 WeakPolarHBondContact CD-O 3.42Å; V502-R506 PolarHBondContact O-N 3.3Å; V503-R506 PolarHBondContact O-N 3.38Å; R506-E508 WeakPolarHBondContact CA-OE2 3.43Å
507	Q	84.8	Confident	90.3	Very high	15 Å²	15	44.3 Å²	44.3	7%	0.07	20%	0.2	C	C	.	.			trans	-105	9	-175	-58.8	-59.7	-60.1	0	0	114.2	F477 V502 N505 E509 H510 I511	F477-Q507 HydrophobicContact CE1-CB 4.11Å; F477-Q507 HydrophobicContact CE1-CG 3.73Å; F477-Q507 HydrophobicContact CZ-CG 3.92Å; V502-Q507 HydrophobicContact CG1-CB 4.03Å; V502-Q507 PolarHBondContact O-N 3.34Å; N505-Q507 HydrophobicContact CB-CG 3.82Å; N505-Q507 WeakPolarHBondContact O-CG 3.22Å; N505-Q507 PolarHBondContact O-N 3.46Å; N505-Q507 PolarHBondContact O-NE2 2.83Å; Q507-E509 VanDerWaalsContact C-N 3.35Å; Q507-E509 PolarHBondContact O-N 3.36Å; Q507-H510 WeakPolarHBondContact O-CB 3.36Å; Q507-H510 PolarHBondContact O-N 3.26Å; Q507-H510 PolarHBondContact OE1-ND1 2.89Å; Q507-I511 WeakPolarHBondContact O-CG1 3.39Å; Q507-I511 PolarHBondContact O-N 3.24Å
508	E	90.1	Very high	90.4	Very high	52 Å²	52	44.2 Å²	44.2	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-54.8	-46	-176	-58.2	90.6	148.1	0	0	112	V502 V503 R506 H510 I511 H512 W771	V502-E508 HydrophobicContact CG1-CG 4.15Å; V503-E508 HydrophobicContact CG2-CG 4.45Å; R506-E508 WeakPolarHBondContact CA-OE2 3.43Å; E508-H510 VanDerWaalsContact C-N 3.3Å; E508-H510 PolarHBondContact O-N 2.9Å; E508-I511 PolarHBondContact O-N 2.94Å; E508-H512 WeakPolarHBondContact O-CB 3.21Å; E508-H512 PolarHBondContact O-CD2 3.39Å; E508-H512 PolarHBondContact O-N 3Å; E508-W771 HydrophobicContact CB-CD2 4.09Å; E508-W771 HydrophobicContact CB-CE3 3.66Å; E508-W771 HydrophobicContact CB-CZ3 4.2Å; E508-W771 HydrophobicContact CG-CB 4.3Å; E508-W771 HydrophobicContact CG-CD2 3.69Å; E508-W771 HydrophobicContact CG-CE3 3.81Å; E508-W771 HydrophobicContact CG-CG 3.9Å; E508-W771 HydrophobicContact CG-CZ3 4.45Å
509	E	87.2	Confident	90.4	Very high	74 Å²	74	44.4 Å²	44.4	35%	0.346	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-34.5	178.2	-165.8	-171.1	131.7	0	0	112	P148 S150 Q507 S513 K612	P148-E509 HydrophobicContact CB-CB 4.05Å; P148-E509 HydrophobicContact CB-CG 4.4Å; P148-E509 HydrophobicContact CG-CB 3.85Å; S150-E509 VanDerWaalsContact CB-OE2 3.23Å; S150-E509 WeakPolarHBondContact CB-OE2 3.45Å; Q507-E509 VanDerWaalsContact C-N 3.35Å; Q507-E509 PolarHBondContact O-N 3.36Å; E509-S513 VanDerWaalsContact O-CB 3.28Å; E509-S513 WeakPolarHBondContact O-CB 3.38Å; E509-S513 PolarHBondContact O-N 2.98Å; E509-K612 IonicContact OE1-NZ 3.86Å
510	H	87.1	Confident	90.3	Very high	7 Å²	7	47.8 Å²	47.8	3%	0.032	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-43	177.2	-71.5	145.8	0	0	0	111.5	Q507 E508 H512 S513 E514 G609	Q507-H510 WeakPolarHBondContact O-CB 3.36Å; Q507-H510 PolarHBondContact O-N 3.26Å; Q507-H510 PolarHBondContact OE1-ND1 2.89Å; E508-H510 VanDerWaalsContact C-N 3.3Å; E508-H510 PolarHBondContact O-N 2.9Å; H510-H512 VanDerWaalsContact C-N 3.34Å; H510-H512 PolarHBondContact O-N 3.35Å; H510-S513 WeakPolarHBondContact O-CB 3.5Å; H510-S513 PolarHBondContact O-N 3.29Å; H510-E514 PolarHBondContact O-N 3.24Å; H510-G609 WeakPolarHBondContact CB-O 3.31Å
511	I	92	Very high	90.4	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-65.9	-36.4	176.2	-59.9	-54.3	0	0	0	111.4	I497 V502 Q507 E508 R515 V539 M541 W771 F775	I497-I511 HydrophobicContact CD1-CD1 4.26Å; I497-I511 HydrophobicContact CD1-CG2 4.44Å; I497-I511 HydrophobicContact CG2-CD1 4.48Å; V502-I511 HydrophobicContact CG1-CB 4.5Å; V502-I511 HydrophobicContact CG1-CG1 3.81Å; V502-I511 HydrophobicContact CG2-CG1 4.13Å; Q507-I511 WeakPolarHBondContact O-CG1 3.39Å; Q507-I511 PolarHBondContact O-N 3.24Å; E508-I511 PolarHBondContact O-N 2.94Å; I511-R515 WeakPolarHBondContact O-CB 3.41Å; I511-R515 PolarHBondContact O-N 3.5Å; I511-R515 VanDerWaalsContact O-N 3.15Å; I511-V539 HydrophobicContact CG2-CG2 4.07Å; I511-M541 HydrophobicContact CG2-CE 4.21Å; I511-W771 HydrophobicContact CB-CH2 4.19Å; I511-W771 HydrophobicContact CB-CZ3 4.11Å; I511-W771 HydrophobicContact CG2-CH2 3.81Å; I511-W771 HydrophobicContact CG2-CZ3 3.96Å; I511-F775 HydrophobicContact CG2-CE1 4.27Å; I511-F775 HydrophobicContact CG2-CE2 4.47Å; I511-F775 HydrophobicContact CG2-CZ 3.61Å
512	H	92.6	Very high	90.5	Very high	30 Å²	30	45.4 Å²	45.4	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-39.3	169	-85	-59.8	0	0	0	113.9	E508 H510 R516 W771 D774 F775	E508-H512 WeakPolarHBondContact O-CB 3.21Å; E508-H512 PolarHBondContact O-CD2 3.39Å; E508-H512 PolarHBondContact O-N 3Å; H510-H512 VanDerWaalsContact C-N 3.34Å; H510-H512 PolarHBondContact O-N 3.35Å; H512-R516 WeakPolarHBondContact O-CB 3.36Å; H512-R516 PolarHBondContact O-N 3.27Å; H512-W771 AromaticContact CD2-CE3 3.92Å; H512-W771 PolarHBondContact CE1-O 3.5Å; H512-W771 VanDerWaalsContact CE1-O 3.31Å; H512-W771 AromaticContact NE2-CE3 3.6Å; H512-W771 PolarHBondContact NE2-O 3.38Å; H512-D774 IonicContact CE1-OD1 3.94Å; H512-D774 PolarHBondContact CE1-OD1 3.29Å; H512-D774 IonicContact CE1-OD2 2.89Å; H512-D774 IonicContact ND1-OD1 2.72Å; H512-D774 IonicContact ND1-OD2 3.82Å; H512-F775 AromaticContact CE1-CE2 3.77Å; H512-F775 AromaticContact ND1-CE2 3.82Å
513	S	90.8	Very high	90.7	Very high	14 Å²	14	46.3 Å²	46.3	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-49.1	177.6	-170.2	0	0	0	0	110.8	E509 H510 R515 R516 I517 A611	E509-S513 VanDerWaalsContact O-CB 3.28Å; E509-S513 WeakPolarHBondContact O-CB 3.38Å; E509-S513 PolarHBondContact O-N 2.98Å; H510-S513 WeakPolarHBondContact O-CB 3.5Å; H510-S513 PolarHBondContact O-N 3.29Å; S513-R515 PolarHBondContact O-N 3Å; S513-R516 PolarHBondContact O-N 3.11Å; S513-I517 WeakPolarHBondContact O-CB 3.25Å; S513-I517 WeakPolarHBondContact O-CD1 3.47Å; S513-I517 VanDerWaalsContact O-CG1 3.25Å; S513-I517 WeakPolarHBondContact O-CG1 2.96Å; S513-I517 PolarHBondContact O-N 3.11Å; S513-I517 WeakPolarHBondContact OG-CD1 3.22Å; S513-A611 PolarHBondContact OG-O 2.97Å
514	E	94.6	Very high	91	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-53.1	-53.8	174.2	170.6	163.1	-134	0	0	111	K495 H510 R516 I517 L518 M541 F608	K495-E514 IonicContact NZ-OE1 2.62Å; K495-E514 PolarHBondContact NZ-OE1 3.33Å; K495-E514 IonicContact NZ-OE2 3.9Å; K495-E514 PolarHBondContact NZ-OE2 3.22Å; H510-E514 PolarHBondContact O-N 3.24Å; E514-R516 PolarHBondContact O-N 3.08Å; E514-I517 PolarHBondContact O-N 3.2Å; E514-L518 HydrophobicContact CG-CD1 3.69Å; E514-L518 HydrophobicContact CG-CG 4.41Å; E514-L518 WeakPolarHBondContact O-CB 3.3Å; E514-L518 WeakPolarHBondContact O-CG 3.42Å; E514-L518 PolarHBondContact O-N 3.3Å; E514-M541 HydrophobicContact CB-CE 4.37Å; E514-M541 HydrophobicContact CG-CE 3.89Å; E514-M541 HydrophobicContact CG-SD 3.94Å; E514-F608 HydrophobicContact CB-CB 4.27Å; E514-F608 HydrophobicContact CG-CB 3.89Å; E514-F608 PolarHBondContact OE1-N 2.86Å
515	R	95.3	Very high	91.6	Very high	49 Å²	49	41.4 Å²	41.4	19%	0.185	19%	0.194	C	C	.	.	H	α-helix	trans	-54.2	-50.3	179.9	-169.6	-179.2	88.7	97.7	-0.3	112.1	I511 S513 A519 T532 M541 D774 F775	I511-R515 WeakPolarHBondContact O-CB 3.41Å; I511-R515 PolarHBondContact O-N 3.5Å; I511-R515 VanDerWaalsContact O-N 3.15Å; S513-R515 PolarHBondContact O-N 3Å; R515-A519 WeakPolarHBondContact O-CB 3.48Å; R515-A519 PolarHBondContact O-N 2.82Å; R515-T532 HydrophobicContact CG-CG2 3.88Å; R515-T532 PolarHBondContact NH1-OG1 2.71Å; R515-M541 HydrophobicContact CB-CE 4.23Å; R515-D774 IonicContact CZ-OD1 3.44Å; R515-D774 IonicContact CZ-OD2 2.84Å; R515-D774 IonicContact NE-OD1 3.69Å; R515-D774 PolarHBondContact NE-OD1 3.15Å; R515-D774 IonicContact NE-OD2 2.82Å; R515-D774 PolarHBondContact NH1-O 3.04Å; R515-D774 PolarHBondContact NH2-O 3.45Å; R515-D774 IonicContact NH2-OD1 2.7Å; R515-D774 PolarHBondContact NH2-OD1 2.73Å; R515-D774 IonicContact NH2-OD2 3.8Å; R515-D774 PolarHBondContact NH2-OD2 3.05Å; R515-F775 HydrophobicContact CB-CE1 4.38Å; R515-F775 HydrophobicContact CB-CZ 4.07Å; R515-F775 VanDerWaalsContact CD-CZ 3.45Å; R515-F775 HydrophobicContact CG-CE1 4.22Å; R515-F775 HydrophobicContact CG-CZ 4.24Å
516	R	95.1	Very high	92.5	Very high	135 Å²	135	39.1 Å²	39.1	51%	0.509	18%	0.182	S	C	.	.	H	α-helix	trans	-66	-43.7	-176.8	-169.3	-178.5	-59.2	130.5	6.2	111.9	H512 S513 E514 A519 E520	H512-R516 WeakPolarHBondContact O-CB 3.36Å; H512-R516 PolarHBondContact O-N 3.27Å; S513-R516 PolarHBondContact O-N 3.11Å; E514-R516 PolarHBondContact O-N 3.08Å; R516-A519 PolarHBondContact O-N 2.93Å; R516-E520 PolarHBondContact O-N 3.27Å; R516-E520 VanDerWaalsContact O-N 3.13Å
517	I	95.9	Very high	93.1	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.046	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-47.9	179.7	-70.2	165.8	0	0	0	110.4	S513 E514 A519 E520 A521 V585 F608 A611	S513-I517 WeakPolarHBondContact O-CB 3.25Å; S513-I517 WeakPolarHBondContact O-CD1 3.47Å; S513-I517 VanDerWaalsContact O-CG1 3.25Å; S513-I517 WeakPolarHBondContact O-CG1 2.96Å; S513-I517 PolarHBondContact O-N 3.11Å; S513-I517 WeakPolarHBondContact OG-CD1 3.22Å; E514-I517 PolarHBondContact O-N 3.2Å; I517-A519 PolarHBondContact O-N 3.06Å; I517-E520 PolarHBondContact O-N 3.09Å; I517-A521 WeakPolarHBondContact O-CB 3.35Å; I517-A521 PolarHBondContact O-N 3.11Å; I517-V585 HydrophobicContact CD1-CG1 3.95Å; I517-V585 HydrophobicContact CD1-CG2 4.44Å; I517-V585 HydrophobicContact CG1-CG1 4.39Å; I517-V585 HydrophobicContact CG1-CG2 4.18Å; I517-V585 HydrophobicContact CG2-CG1 3.93Å; I517-V585 HydrophobicContact CG2-CG2 4.29Å; I517-F608 HydrophobicContact CG2-CD1 3.64Å; I517-F608 HydrophobicContact CG2-CE1 4.06Å; I517-A611 HydrophobicContact CD1-CB 3.75Å; I517-A611 WeakPolarHBondContact CD1-O 3.29Å
518	L	96.2	Very high	93.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-35.9	178.3	-69.9	175.4	0	0	0	112.5	E514 E520 A521 V526 V527 L529 L543 F608	E514-L518 HydrophobicContact CG-CD1 3.69Å; E514-L518 HydrophobicContact CG-CG 4.41Å; E514-L518 WeakPolarHBondContact O-CB 3.3Å; E514-L518 WeakPolarHBondContact O-CG 3.42Å; E514-L518 PolarHBondContact O-N 3.3Å; L518-E520 VanDerWaalsContact C-N 3.3Å; L518-E520 PolarHBondContact O-N 3.38Å; L518-A521 PolarHBondContact O-N 3.4Å; L518-V526 HydrophobicContact CD2-CG1 4.32Å; L518-V527 HydrophobicContact CD2-CG1 3.92Å; L518-L529 HydrophobicContact CB-CB 3.73Å; L518-L529 HydrophobicContact CB-CD2 3.89Å; L518-L529 HydrophobicContact CB-CG 4.45Å; L518-L543 HydrophobicContact CD1-CD2 4.11Å; L518-F608 HydrophobicContact CD1-CB 4.37Å; L518-F608 HydrophobicContact CD2-CB 4.34Å; L518-F608 HydrophobicContact CD2-CD1 4.43Å; L518-F608 HydrophobicContact CD2-CD2 3.58Å; L518-F608 HydrophobicContact CD2-CE2 3.92Å; L518-F608 HydrophobicContact CD2-CG 3.86Å; L518-F608 HydrophobicContact CD2-CZ 4.5Å; L518-F608 HydrophobicContact CG-CB 4.14Å; L518-F608 HydrophobicContact CG-CD2 4.3Å; L518-F608 HydrophobicContact CG-CG 4.19Å
519	A	94.3	Very high	93.9	Very high	41 Å²	41	31.1 Å²	31.1	34%	0.339	15%	0.151	S	C	.	.	H	α-helix	trans	-63.5	-35.3	174.9	0	0	0	0	0	112.5	R515 R516 I517 R522 L529	R515-A519 WeakPolarHBondContact O-CB 3.48Å; R515-A519 PolarHBondContact O-N 2.82Å; R516-A519 PolarHBondContact O-N 2.93Å; I517-A519 PolarHBondContact O-N 3.06Å; A519-R522 VanDerWaalsContact O-CZ 3.26Å; A519-R522 PolarHBondContact O-NH1 3.29Å; A519-R522 PolarHBondContact O-NH2 2.85Å; A519-L529 HydrophobicContact CB-CD2 4.26Å
520	E	93.2	Very high	94.3	Very high	75 Å²	75	28.2 Å²	28.2	35%	0.35	14%	0.137	S	C	.	.	H	α-helix	trans	-80.1	-23.9	173.6	-73	-173.5	-131.4	0	0	114.1	R516 I517 L518 R522 K613	R516-E520 PolarHBondContact O-N 3.27Å; R516-E520 VanDerWaalsContact O-N 3.13Å; I517-E520 PolarHBondContact O-N 3.09Å; L518-E520 VanDerWaalsContact C-N 3.3Å; L518-E520 PolarHBondContact O-N 3.38Å; E520-R522 PolarHBondContact O-N 3.2Å; E520-K613 IonicContact OE1-NZ 2.73Å; E520-K613 PolarHBondContact OE1-NZ 2.81Å; E520-K613 IonicContact OE2-NZ 2.92Å; E520-K613 PolarHBondContact OE2-NZ 2.82Å
521	A	93.3	Very high	94.6	Very high	7 Å²	7	30.2 Å²	30.2	6%	0.058	14%	0.144	C	C	.	.			trans	-69.8	127.4	-168.8	0	0	0	0	0	113.7	I517 L518 V526	I517-A521 WeakPolarHBondContact O-CB 3.35Å; I517-A521 PolarHBondContact O-N 3.11Å; L518-A521 PolarHBondContact O-N 3.4Å; A521-V526 HydrophobicContact CB-CG1 4.01Å
522	R	90.8	Very high	94.7	Very high	88 Å²	88	30.5 Å²	30.5	33%	0.332	15%	0.147	S	C	.	.			trans	-138.7	74.1	-179.3	-58.2	-62.5	179	-90.2	-12.9	110.4	L443 A519 E520 Y579	L443-R522 VanDerWaalsContact CD2-CD 3.44Å; L443-R522 HydrophobicContact CD2-CG 4.17Å; A519-R522 VanDerWaalsContact O-CZ 3.26Å; A519-R522 PolarHBondContact O-NH1 3.29Å; A519-R522 PolarHBondContact O-NH2 2.85Å; E520-R522 PolarHBondContact O-N 3.2Å; R522-Y579 PolarHBondContact N-OH 3.25Å; R522-Y579 WeakPolarHBondContact O-CE2 3.36Å
523	S	94	Very high	94.8	Very high	20 Å²	20	29.5 Å²	29.5	14%	0.14	14%	0.142	C	C	.	.			trans	-135.7	151.2	175.4	179.9	0	0	0	0	109.5	F525	S523-F525 PolarHBondContact O-N 2.88Å; S523-F525 PolarHBondContact OG-N 3.24Å
524	A	94.9	Very high	95	Very high	30 Å²	30	33.2 Å²	33.2	25%	0.248	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-29.4	171.8	0	0	0	0	0	112.4	K604	A524-K604 WeakPolarHBondContact O-CG 3.36Å; A524-K604 PolarHBondContact O-NZ 3.49Å
525	F	97.7	Very high	95	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	14.1	-172.9	-50.7	-86.4	0	0	0	113.7	S523 C572 E575 A576 Y602 K604 L605 L732	S523-F525 PolarHBondContact O-N 2.88Å; S523-F525 PolarHBondContact OG-N 3.24Å; F525-C572 HydrophobicContact CD1-CB 3.84Å; F525-C572 HydrophobicContact CE1-CB 4.19Å; F525-E575 HydrophobicContact CD1-CB 4.44Å; F525-E575 HydrophobicContact CD2-CB 3.45Å; F525-E575 VanDerWaalsContact CD2-CB 3.45Å; F525-E575 HydrophobicContact CD2-CG 4.3Å; F525-E575 HydrophobicContact CE1-CB 4.41Å; F525-E575 HydrophobicContact CE2-CB 3.44Å; F525-E575 VanDerWaalsContact CE2-CB 3.44Å; F525-E575 HydrophobicContact CE2-CG 3.78Å; F525-E575 HydrophobicContact CG-CB 3.98Å; F525-E575 HydrophobicContact CZ-CB 3.95Å; F525-E575 HydrophobicContact CZ-CG 3.92Å; F525-A576 HydrophobicContact CB-CB 3.82Å; F525-Y602 AromaticContact CE1-CD1 3.82Å; F525-Y602 HydrophobicContact CE1-CD1 3.82Å; F525-Y602 HydrophobicContact CE1-CE1 4.13Å; F525-K604 WeakPolarHBondContact O-CA 3.42Å; F525-L605 PolarHBondContact O-N 2.77Å; F525-L732 HydrophobicContact CE1-CD1 4.48Å; F525-L732 HydrophobicContact CE1-CD2 4.47Å; F525-L732 HydrophobicContact CE1-CG 4.16Å; F525-L732 HydrophobicContact CZ-CD2 4.5Å; F525-L732 HydrophobicContact CZ-CG 4.11Å
526	V	97.8	Very high	94.9	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-128.8	139.8	174.1	174.5	0	0	0	0	107.6	L518 A521 K528 A576 L580 F608	L518-V526 HydrophobicContact CD2-CG1 4.32Å; A521-V526 HydrophobicContact CB-CG1 4.01Å; V526-K528 PolarHBondContact O-N 3.43Å; V526-A576 HydrophobicContact CG2-CB 4.34Å; V526-L580 HydrophobicContact CG2-CG 4.49Å; V526-F608 HydrophobicContact CB-CZ 4.49Å; V526-F608 HydrophobicContact CG1-CE1 4.38Å; V526-F608 HydrophobicContact CG1-CE2 3.82Å; V526-F608 HydrophobicContact CG1-CZ 3.51Å; V526-F608 HydrophobicContact CG2-CZ 4.24Å
527	V	97	Very high	94.9	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.036	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-61.3	132.4	176.6	68.8	0	0	0	0	111.2	L518 L543 E544 L605 V606	L518-V527 HydrophobicContact CD2-CG1 3.92Å; V527-L543 HydrophobicContact CG2-CB 4.17Å; V527-E544 HydrophobicContact CG2-CB 3.96Å; V527-L605 WeakPolarHBondContact CG1-O 3.43Å; V527-L605 PolarHBondContact N-O 2.72Å; V527-V606 HydrophobicContact CB-CG1 3.86Å; V527-V606 HydrophobicContact CG1-CG1 4.07Å; V527-V606 HydrophobicContact CG2-CG1 4.23Å
528	K	95.9	Very high	94.8	Very high	43 Å²	43	34.4 Å²	34.4	19%	0.187	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-79.9	136.4	177.8	-56.4	160.5	-173.1	152.5	0	110.9	F447 V526 Y530 L543 E544	F447-K528 HydrophobicContact CD2-CB 4.13Å; F447-K528 HydrophobicContact CD2-CD 3.67Å; F447-K528 HydrophobicContact CD2-CG 4.21Å; F447-K528 HydrophobicContact CE2-CB 3.88Å; F447-K528 HydrophobicContact CE2-CD 4.26Å; F447-K528 HydrophobicContact CE2-CG 4.32Å; F447-K528 HydrophobicContact CG-CD 4.3Å; V526-K528 PolarHBondContact O-N 3.43Å; K528-Y530 HydrophobicContact CB-CE2 4.31Å; K528-L543 CarbonylContact O-C 3.57Å; K528-L543 WeakPolarHBondContact O-CA 3.4Å; K528-E544 HydrophobicContact CB-CB 4.09Å; K528-E544 HydrophobicContact CD-CG 4.49Å; K528-E544 WeakPolarHBondContact CD-OE1 3.37Å; K528-E544 WeakPolarHBondContact CE-OE1 3.07Å; K528-E544 WeakPolarHBondContact CG-OE2 3.12Å; K528-E544 PolarHBondContact N-OE2 3.24Å; K528-E544 VanDerWaalsContact N-OE2 3.13Å; K528-E544 IonicContact NZ-OE1 2.64Å; K528-E544 PolarHBondContact NZ-OE1 3.44Å; K528-E544 PolarHBondContact O-N 2.81Å
529	L	96.3	Very high	94.8	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.4	164.2	172.6	66.3	0	0	0	109.9	L518 A519 R531 T532 M541 L543	L518-L529 HydrophobicContact CB-CB 3.73Å; L518-L529 HydrophobicContact CB-CD2 3.89Å; L518-L529 HydrophobicContact CB-CG 4.45Å; A519-L529 HydrophobicContact CB-CD2 4.26Å; L529-R531 WeakPolarHBondContact CD1-O 3.12Å; L529-T532 HydrophobicContact CD1-CG2 4.25Å; L529-T532 HydrophobicContact CD2-CG2 4.33Å; L529-M541 HydrophobicContact CD1-CB 3.95Å; L529-L543 HydrophobicContact CB-CD2 3.98Å; L529-L543 HydrophobicContact CD1-CD2 3.83Å
530	Y	94.5	Very high	94.9	Very high	14 Å²	14	33.1 Å²	33.1	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-54.8	178.4	-63.8	-86.5	0	0	0	111.5	F447 L450 K451 F492 K528 L542 E544	F447-Y530 AromaticContact CD2-CD1 3.87Å; F447-Y530 HydrophobicContact CD2-CD1 3.87Å; F447-Y530 AromaticContact CD2-CE1 3.34Å; F447-Y530 HydrophobicContact CD2-CE1 3.34Å; F447-Y530 AromaticContact CD2-CZ 3.97Å; F447-Y530 AromaticContact CE2-CD1 3.75Å; F447-Y530 HydrophobicContact CE2-CD1 3.75Å; F447-Y530 AromaticContact CE2-CE1 3.67Å; F447-Y530 HydrophobicContact CE2-CE1 3.67Å; F447-Y530 HydrophobicContact CE2-CG 4.45Å; F447-Y530 HydrophobicContact CG-CE1 4.45Å; L450-Y530 HydrophobicContact CB-CD1 4.01Å; L450-Y530 HydrophobicContact CB-CE1 3.56Å; L450-Y530 HydrophobicContact CD1-CE1 4.06Å; L450-Y530 HydrophobicContact CG-CE1 4.48Å; K451-Y530 HydrophobicContact CB-CD1 4.35Å; K451-Y530 VanDerWaalsContact CE-O 3.28Å; K451-Y530 WeakPolarHBondContact CE-O 3.4Å; F492-Y530 AromaticContact CD1-CD2 3.65Å; F492-Y530 HydrophobicContact CD1-CD2 3.65Å; F492-Y530 AromaticContact CD1-CE2 3.77Å; F492-Y530 HydrophobicContact CD1-CE2 3.77Å; F492-Y530 HydrophobicContact CD1-CG 4.32Å; F492-Y530 HydrophobicContact CE1-CD1 4.19Å; F492-Y530 AromaticContact CE1-CD2 3.6Å; F492-Y530 HydrophobicContact CE1-CD2 3.6Å; F492-Y530 HydrophobicContact CE1-CE1 4.26Å; F492-Y530 AromaticContact CE1-CE2 3.68Å; F492-Y530 HydrophobicContact CE1-CE2 3.68Å; F492-Y530 AromaticContact CE1-CG 3.87Å; F492-Y530 HydrophobicContact CE1-CG 3.87Å; K528-Y530 HydrophobicContact CB-CE2 4.31Å; Y530-L542 PolarHBondContact N-O 2.91Å; Y530-E544 HydrophobicContact CE2-CB 4.05Å
531	R	93.6	Very high	95	Very high	48 Å²	48	29.5 Å²	29.5	18%	0.181	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	156.7	-175.5	-176	163.9	179.4	-173.9	-2.7	111.4	V454 S455 F457 S459 L529 F533 L542	V454-R531 HydrophobicContact CG2-CB 4.03Å; V454-R531 VanDerWaalsContact O-CD 3.25Å; V454-R531 WeakPolarHBondContact O-CD 2.98Å; V454-R531 PolarHBondContact O-NH1 3.35Å; S455-R531 PolarHBondContact O-NH1 2.78Å; F457-R531 VanDerWaalsContact O-CZ 3.3Å; F457-R531 PolarHBondContact O-NH1 2.94Å; F457-R531 PolarHBondContact O-NH2 3.3Å; S459-R531 PolarHBondContact OG-NH2 3Å; L529-R531 WeakPolarHBondContact CD1-O 3.12Å; R531-F533 HydrophobicContact CB-CZ 4.29Å; R531-F533 HydrophobicContact CG-CD1 4.33Å; R531-F533 HydrophobicContact CG-CE1 3.76Å; R531-F533 HydrophobicContact CG-CZ 3.9Å; R531-L542 WeakPolarHBondContact O-CB 3.49Å; R531-L542 PolarHBondContact O-N 2.92Å
532	T	95.6	Very high	95.2	Very high	14 Å²	14	29.2 Å²	29.2	9%	0.086	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	159.2	168.9	41.6	0	0	0	0	111.1	R515 L529 Y540 M541 F775	R515-T532 HydrophobicContact CG-CG2 3.88Å; R515-T532 PolarHBondContact NH1-OG1 2.71Å; L529-T532 HydrophobicContact CD1-CG2 4.25Å; L529-T532 HydrophobicContact CD2-CG2 4.33Å; T532-Y540 VanDerWaalsContact CA-O 3.26Å; T532-Y540 WeakPolarHBondContact CA-O 3.15Å; T532-Y540 WeakPolarHBondContact CB-O 3.35Å; T532-Y540 WeakPolarHBondContact CG2-O 3.39Å; T532-M541 HydrophobicContact CG2-CB 4.48Å; T532-M541 HydrophobicContact CG2-CG 4.05Å; T532-F775 VanDerWaalsContact C-OXT 3.27Å; T532-F775 WeakPolarHBondContact CB-OXT 3.42Å; T532-F775 HydrophobicContact CG2-CD1 3.97Å; T532-F775 HydrophobicContact CG2-CE1 4.32Å; T532-F775 PolarHBondContact OG1-OXT 3.35Å
533	F	95	Very high	95.5	Very high	9 Å²	9	25.8 Å²	25.8	4%	0.039	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	170.5	172.7	-41	-82.3	0	0	0	109.3	F457 P462 F463 R531 Y540 L542	F457-F533 HydrophobicContact CD2-CZ 4.31Å; P462-F533 HydrophobicContact CB-CD1 3.34Å; P462-F533 HydrophobicContact CB-CD2 4.37Å; P462-F533 HydrophobicContact CB-CE1 3.34Å; P462-F533 HydrophobicContact CB-CE2 4.37Å; P462-F533 HydrophobicContact CB-CG 3.89Å; P462-F533 HydrophobicContact CB-CZ 3.89Å; P462-F533 HydrophobicContact CG-CB 4.1Å; P462-F533 HydrophobicContact CG-CD1 3.71Å; P462-F533 HydrophobicContact CG-CE1 4.23Å; P462-F533 HydrophobicContact CG-CG 3.88Å; F463-F533 HydrophobicContact CE1-CD2 4.21Å; F463-F533 HydrophobicContact CZ-CB 4.47Å; R531-F533 HydrophobicContact CB-CZ 4.29Å; R531-F533 HydrophobicContact CG-CD1 4.33Å; R531-F533 HydrophobicContact CG-CE1 3.76Å; R531-F533 HydrophobicContact CG-CZ 3.9Å; F533-Y540 HydrophobicContact CB-CD2 4.24Å; F533-Y540 HydrophobicContact CB-CG 4.45Å; F533-Y540 PolarHBondContact N-O 2.85Å; F533-Y540 VanDerWaalsContact N-O 3.08Å; F533-Y540 PolarHBondContact O-N 2.6Å; F533-L542 HydrophobicContact CE2-CB 4.1Å; F533-L542 HydrophobicContact CE2-CD2 4.28Å; F533-L542 HydrophobicContact CZ-CD2 4.36Å
534	R	94.4	Very high	95.6	Very high	91 Å²	91	26 Å²	26	34%	0.343	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	156.3	176	68.3	-162.3	-165	84.1	5.2	111.3	Y538 V539 D772 M773 F775	R534-Y538 WeakPolarHBondContact CA-O 3.12Å; R534-V539 HydrophobicContact CB-CG1 4.13Å; R534-D772 WeakPolarHBondContact CD-O 3.4Å; R534-D772 VanDerWaalsContact CD-OD2 3.3Å; R534-D772 WeakPolarHBondContact CD-OD2 3.32Å; R534-D772 IonicContact CZ-OD2 3.08Å; R534-D772 IonicContact NE-OD2 3.63Å; R534-D772 IonicContact NH1-OD1 2.7Å; R534-D772 IonicContact NH1-OD2 2.75Å; R534-D772 PolarHBondContact NH1-OD2 2.65Å; R534-M773 PolarHBondContact NH2-SD 2.97Å; R534-F775 HydrophobicContact CB-CB 4.11Å; R534-F775 WeakPolarHBondContact CD-O 3.33Å; R534-F775 HydrophobicContact CG-CB 4.48Å
535	D	93.3	Very high	95.6	Very high	62 Å²	62	25.6 Å²	25.6	33%	0.332	12%	0.121	S	C	.	.			trans	-136.9	-162.7	164.3	75.4	0.4	0	0	0	110.4	K499 K537 Y538	K499-D535 WeakPolarHBondContact CD-O 3.29Å; K499-D535 PolarHBondContact NZ-O 3.43Å; D535-K537 PolarHBondContact O-N 2.84Å; D535-K537 WeakPolarHBondContact OD1-CA 3.5Å; D535-K537 PolarHBondContact OD1-N 2.64Å; D535-Y538 PolarHBondContact N-O 2.83Å; D535-Y538 PolarHBondContact OD1-N 2.73Å
536	N	94.9	Very high	95.5	Very high	81 Å²	81	25.4 Å²	25.4	43%	0.433	12%	0.12	S	C	.	.	S	Bend	trans	-66.9	-18.5	177.8	-68.2	13.3	0	0	0	113.6	D766 E767 L768	N536-D766 HydrophobicContact CB-CB 4.17Å; N536-D766 WeakPolarHBondContact CB-OD2 3.35Å; N536-D766 PolarHBondContact ND2-OD2 2.9Å; N536-D766 CarbonylContact O-C 3.57Å; N536-D766 WeakPolarHBondContact O-CA 3.18Å; N536-E767 PolarHBondContact O-N 3.42Å; N536-L768 HydrophobicContact CB-CD2 3.89Å
537	K	93.8	Very high	95.4	Very high	50 Å²	50	25.9 Å²	25.9	22%	0.217	12%	0.123	C	C	.	.	S	Bend	trans	-120.5	-31.7	-165.5	-71.9	-174.5	-175.4	-55.1	0	113.4	K499 D535 P764 D766	K499-K537 WeakPolarHBondContact CB-O 3.09Å; K499-K537 PolarHBondContact N-O 2.91Å; D535-K537 PolarHBondContact O-N 2.84Å; D535-K537 WeakPolarHBondContact OD1-CA 3.5Å; D535-K537 PolarHBondContact OD1-N 2.64Å; K537-P764 HydrophobicContact CB-CG 4.07Å; K537-P764 WeakPolarHBondContact CD-O 3.07Å; K537-P764 PolarHBondContact NZ-O 3Å; K537-D766 WeakPolarHBondContact CE-OD1 3.41Å; K537-D766 IonicContact NZ-OD1 2.63Å; K537-D766 PolarHBondContact NZ-OD1 3.38Å
538	Y	94.8	Very high	95.3	Very high	26 Å²	26	25.8 Å²	25.8	10%	0.102	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150.8	-172.5	-59.2	-97.1	0	0	0	112.2	M496 I497 K498 R534 D535 P764	M496-Y538 HydrophobicContact CB-CD1 4.2Å; M496-Y538 HydrophobicContact CE-CE1 4.34Å; I497-Y538 WeakPolarHBondContact O-CA 3.5Å; K498-Y538 HydrophobicContact CD-CE1 4.37Å; K498-Y538 HydrophobicContact CG-CD1 4.05Å; K498-Y538 HydrophobicContact CG-CE1 3.64Å; R534-Y538 WeakPolarHBondContact CA-O 3.12Å; D535-Y538 PolarHBondContact N-O 2.83Å; D535-Y538 PolarHBondContact OD1-N 2.73Å; Y538-P764 HydrophobicContact CE1-CG 4.39Å; Y538-P764 HydrophobicContact CE2-CG 4.12Å; Y538-P764 VanDerWaalsContact OH-CD 3.25Å; Y538-P764 WeakPolarHBondContact OH-CD 3.41Å
539	V	95.9	Very high	95.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	149.3	154.2	-62.6	0	0	0	0	109.6	I497 K499 I511 R534 W771 D772 F775	I497-V539 HydrophobicContact CB-CG2 3.83Å; I497-V539 HydrophobicContact CD1-CG2 4.36Å; I497-V539 HydrophobicContact CG2-CG2 4.05Å; I497-V539 PolarHBondContact N-O 3.37Å; I497-V539 PolarHBondContact O-N 2.9Å; K499-V539 HydrophobicContact CD-CG1 4.29Å; K499-V539 HydrophobicContact CG-CG1 4.09Å; I511-V539 HydrophobicContact CG2-CG2 4.07Å; R534-V539 HydrophobicContact CB-CG1 4.13Å; V539-W771 HydrophobicContact CG1-CH2 4.26Å; V539-W771 HydrophobicContact CG1-CZ2 4.3Å; V539-W771 HydrophobicContact CG2-CH2 4.13Å; V539-D772 HydrophobicContact CG1-CB 3.63Å; V539-F775 HydrophobicContact CB-CD1 3.71Å; V539-F775 HydrophobicContact CB-CE1 3.86Å; V539-F775 HydrophobicContact CB-CG 4.23Å; V539-F775 HydrophobicContact CG1-CD1 4.11Å; V539-F775 HydrophobicContact CG1-CD2 4.43Å; V539-F775 HydrophobicContact CG1-CE1 4.43Å; V539-F775 HydrophobicContact CG1-CG 4.13Å; V539-F775 HydrophobicContact CG2-CD1 4.29Å; V539-F775 HydrophobicContact CG2-CE1 3.91Å; V539-F775 HydrophobicContact CG2-CZ 4.3Å
540	Y	95.8	Very high	95.1	Very high	14 Å²	14	24.2 Å²	24.2	6%	0.055	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.7	-169.6	-59.5	-97.7	0	0	0	111.4	F463 L494 K495 M496 T532 F533	F463-Y540 AromaticContact CE1-CD1 3.98Å; F463-Y540 HydrophobicContact CE1-CD1 3.98Å; F463-Y540 HydrophobicContact CE1-CE1 4.1Å; F463-Y540 HydrophobicContact CE1-CG 4.34Å; F463-Y540 HydrophobicContact CE2-CE1 4.07Å; F463-Y540 HydrophobicContact CE2-CE2 4.02Å; F463-Y540 AromaticContact CE2-CZ 3.76Å; F463-Y540 AromaticContact CZ-CD1 3.59Å; F463-Y540 HydrophobicContact CZ-CD1 3.59Å; F463-Y540 AromaticContact CZ-CD2 3.81Å; F463-Y540 HydrophobicContact CZ-CD2 3.81Å; F463-Y540 AromaticContact CZ-CE1 3.48Å; F463-Y540 HydrophobicContact CZ-CE1 3.48Å; F463-Y540 VanDerWaalsContact CZ-CE1 3.48Å; F463-Y540 AromaticContact CZ-CE2 3.71Å; F463-Y540 HydrophobicContact CZ-CE2 3.71Å; F463-Y540 AromaticContact CZ-CG 3.75Å; F463-Y540 HydrophobicContact CZ-CG 3.75Å; F463-Y540 AromaticContact CZ-CZ 3.54Å; L494-Y540 HydrophobicContact CD1-CD1 4.06Å; L494-Y540 HydrophobicContact CD2-CD1 4.23Å; L494-Y540 HydrophobicContact CG-CD1 4.2Å; K495-Y540 CarbonylContact O-C 3.49Å; K495-Y540 VanDerWaalsContact O-CA 3.32Å; K495-Y540 WeakPolarHBondContact O-CA 3.29Å; M496-Y540 HydrophobicContact CB-CD1 4.35Å; M496-Y540 HydrophobicContact CB-CE1 4.35Å; M496-Y540 HydrophobicContact CE-CE1 4.05Å; M496-Y540 HydrophobicContact CG-CD1 3.89Å; M496-Y540 HydrophobicContact CG-CE1 3.87Å; T532-Y540 VanDerWaalsContact CA-O 3.26Å; T532-Y540 WeakPolarHBondContact CA-O 3.15Å; T532-Y540 WeakPolarHBondContact CB-O 3.35Å; T532-Y540 WeakPolarHBondContact CG2-O 3.39Å; F533-Y540 HydrophobicContact CB-CD2 4.24Å; F533-Y540 HydrophobicContact CB-CG 4.45Å; F533-Y540 PolarHBondContact N-O 2.85Å; F533-Y540 VanDerWaalsContact N-O 3.08Å; F533-Y540 PolarHBondContact O-N 2.6Å
541	M	96.7	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.3	171.3	-55	-177.1	-175.1	0	0	109.9	K495 I497 I511 E514 R515 L529 T532 L543 F775	K495-M541 HydrophobicContact CB-CB 4.22Å; K495-M541 HydrophobicContact CD-SD 4.35Å; K495-M541 PolarHBondContact N-O 3.4Å; K495-M541 PolarHBondContact O-N 2.86Å; I497-M541 HydrophobicContact CD1-CE 4.06Å; I511-M541 HydrophobicContact CG2-CE 4.21Å; E514-M541 HydrophobicContact CB-CE 4.37Å; E514-M541 HydrophobicContact CG-CE 3.89Å; E514-M541 HydrophobicContact CG-SD 3.94Å; R515-M541 HydrophobicContact CB-CE 4.23Å; L529-M541 HydrophobicContact CD1-CB 3.95Å; T532-M541 HydrophobicContact CG2-CB 4.48Å; T532-M541 HydrophobicContact CG2-CG 4.05Å; M541-L543 HydrophobicContact CB-CD2 4.35Å; M541-L543 HydrophobicContact CB-CG 4.25Å; M541-F775 HydrophobicContact CE-CE1 3.93Å; M541-F775 HydrophobicContact CE-CZ 4.29Å
542	L	96.8	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	105.9	178.3	-167.3	71.7	0	0	0	109.9	V454 L466 V483 F492 L494 Y530 R531 F533	V454-L542 HydrophobicContact CB-CD2 4.04Å; V454-L542 HydrophobicContact CG1-CD2 3.81Å; V454-L542 HydrophobicContact CG2-CD2 4.26Å; L466-L542 HydrophobicContact CD1-CD1 4.48Å; V483-L542 HydrophobicContact CG2-CD1 4.02Å; F492-L542 HydrophobicContact CB-CD1 3.53Å; F492-L542 HydrophobicContact CB-CG 3.93Å; F492-L542 HydrophobicContact CD1-CD2 4.38Å; F492-L542 HydrophobicContact CD1-CG 4.13Å; F492-L542 HydrophobicContact CD2-CD1 4.47Å; F492-L542 HydrophobicContact CD2-CD2 4.48Å; F492-L542 HydrophobicContact CG-CD1 4Å; F492-L542 HydrophobicContact CG-CD2 4.27Å; F492-L542 HydrophobicContact CG-CG 3.98Å; L494-L542 HydrophobicContact CD1-CD1 4.08Å; Y530-L542 PolarHBondContact N-O 2.91Å; R531-L542 WeakPolarHBondContact O-CB 3.49Å; R531-L542 PolarHBondContact O-N 2.92Å; F533-L542 HydrophobicContact CE2-CB 4.1Å; F533-L542 HydrophobicContact CE2-CD2 4.28Å; F533-L542 HydrophobicContact CZ-CD2 4.36Å
543	L	96.7	Very high	95.1	Very high	16 Å²	16	22 Å²	22	8%	0.084	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	164.3	-167.6	-57.4	167.5	0	0	0	112.6	F492 A493 K495 L518 V527 K528 L529 M541 A545	F492-L543 WeakPolarHBondContact CA-O 3.48Å; A493-L543 HydrophobicContact CB-CB 4.29Å; A493-L543 PolarHBondContact N-O 2.84Å; A493-L543 WeakPolarHBondContact O-CB 3.16Å; A493-L543 PolarHBondContact O-N 2.84Å; K495-L543 HydrophobicContact CB-CD1 4.01Å; K495-L543 HydrophobicContact CD-CD1 4.45Å; L518-L543 HydrophobicContact CD1-CD2 4.11Å; V527-L543 HydrophobicContact CG2-CB 4.17Å; K528-L543 CarbonylContact O-C 3.57Å; K528-L543 WeakPolarHBondContact O-CA 3.4Å; L529-L543 HydrophobicContact CB-CD2 3.98Å; L529-L543 HydrophobicContact CD1-CD2 3.83Å; M541-L543 HydrophobicContact CB-CD2 4.35Å; M541-L543 HydrophobicContact CB-CG 4.25Å; L543-A545 PolarHBondContact O-N 2.81Å
544	E	95.6	Very high	95.1	Very high	25 Å²	25	22.1 Å²	22.1	12%	0.117	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	121.1	172	-178.1	177.9	-141.9	0	0	112.2	V527 K528 Y530 C546 K604	V527-E544 HydrophobicContact CG2-CB 3.96Å; K528-E544 HydrophobicContact CB-CB 4.09Å; K528-E544 HydrophobicContact CD-CG 4.49Å; K528-E544 WeakPolarHBondContact CD-OE1 3.37Å; K528-E544 WeakPolarHBondContact CE-OE1 3.07Å; K528-E544 WeakPolarHBondContact CG-OE2 3.12Å; K528-E544 PolarHBondContact N-OE2 3.24Å; K528-E544 VanDerWaalsContact N-OE2 3.13Å; K528-E544 IonicContact NZ-OE1 2.64Å; K528-E544 PolarHBondContact NZ-OE1 3.44Å; K528-E544 PolarHBondContact O-N 2.81Å; Y530-E544 HydrophobicContact CE2-CB 4.05Å; E544-C546 PolarHBondContact O-N 2.85Å; E544-C546 PolarHBondContact O-SG 3.43Å; E544-C546 VanDerWaalsContact O-SG 3.32Å; E544-K604 IonicContact OE1-NZ 2.86Å; E544-K604 PolarHBondContact OE1-NZ 3.03Å; E544-K604 WeakPolarHBondContact OE2-CE 3.29Å; E544-K604 IonicContact OE2-NZ 3.53Å; E544-K604 PolarHBondContact OE2-NZ 3.46Å
545	A	95.5	Very high	95.1	Very high	22 Å²	22	18 Å²	18	18%	0.182	9%	0.093	C	C	.	.			trans	-71.3	111.8	178.4	0	0	0	0	0	111.2	L482 L543 L547	L482-A545 HydrophobicContact CD1-CB 4.12Å; L543-A545 PolarHBondContact O-N 2.81Å; A545-L547 HydrophobicContact CB-CD2 4.26Å; A545-L547 HydrophobicContact CB-CG 4.33Å
546	C	96.1	Very high	95.1	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.02	9%	0.092	C	C	.	.			trans	-102.5	81.9	-177.7	-58.8	0	0	0	0	110	E544 G548 M596 L597 K604	E544-C546 PolarHBondContact O-N 2.85Å; E544-C546 PolarHBondContact O-SG 3.43Å; E544-C546 VanDerWaalsContact O-SG 3.32Å; C546-G548 PolarHBondContact O-N 2.95Å; C546-M596 HydrophobicContact CB-CB 3.82Å; C546-M596 HydrophobicContact CB-CE 4.01Å; C546-M596 WeakPolarHBondContact O-CE 3.39Å; C546-L597 CarbonylContact C-O 3.58Å; C546-K604 WeakPolarHBondContact SG-CD 3.49Å
547	L	95.6	Very high	94.9	Very high	12 Å²	12	19.9 Å²	19.9	6%	0.063	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.7	-162.1	-61.4	174.1	0	0	0	116.2	L482 A545 G549 L597 L745 P748 F754	L482-L547 HydrophobicContact CD1-CD2 3.97Å; L482-L547 HydrophobicContact CD2-CD2 4.2Å; A545-L547 HydrophobicContact CB-CD2 4.26Å; A545-L547 HydrophobicContact CB-CG 4.33Å; L547-G549 PolarHBondContact O-N 2.85Å; L547-L597 PolarHBondContact N-O 3.25Å; L547-L745 HydrophobicContact CB-CD1 3.9Å; L547-L745 HydrophobicContact CB-CD2 4.24Å; L547-P748 WeakPolarHBondContact CD1-O 3.48Å; L547-F754 HydrophobicContact CD2-CE2 4.45Å
548	G	95.3	Very high	95	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.031	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.3	177.1	0	0	0	0	0	114.3	C546 L597 R743	C546-G548 PolarHBondContact O-N 2.95Å; G548-L597 WeakPolarHBondContact CA-O 3.47Å; G548-L597 PolarHBondContact N-O 3.07Å; G548-R743 WeakPolarHBondContact O-CD 3.42Å; G548-R743 PolarHBondContact O-NH1 3Å
549	G	94.1	Very high	95	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.5	179.6	176.9	0	0	0	0	0	114.7	L547 L597	L547-G549 PolarHBondContact O-N 2.85Å; G549-L597 PolarHBondContact O-N 3.13Å
550	E	94.2	Very high	95	Very high	19 Å²	19	26.1 Å²	26.1	9%	0.089	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.2	179.1	-55.7	165.7	162	0	0	111.7	R137 W552 S553 L554 M596	R137-E550 IonicContact CZ-OE1 3.73Å; R137-E550 IonicContact NE-OE1 2.67Å; R137-E550 IonicContact NH2-OE1 3.27Å; R137-E550 PolarHBondContact NH2-OE1 3.22Å; E550-W552 HydrophobicContact CB-CB 4.42Å; E550-W552 PolarHBondContact O-N 3.18Å; E550-S553 PolarHBondContact O-N 3.31Å; E550-S553 PolarHBondContact OE2-OG 2.84Å; E550-L554 PolarHBondContact O-N 2.9Å; E550-M596 HydrophobicContact CG-SD 3.98Å
551	I	97.3	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-33.9	168.3	-65.4	-68	0	0	0	111	L554 L555 F561 P592 L595 L597 I603 L656 L741	I551-L554 PolarHBondContact O-N 2.83Å; I551-L555 WeakPolarHBondContact O-CB 3.31Å; I551-L555 PolarHBondContact O-N 3Å; I551-F561 HydrophobicContact CG2-CE2 4.08Å; I551-F561 HydrophobicContact CG2-CZ 4.25Å; I551-P592 HydrophobicContact CG2-CB 4.24Å; I551-L595 HydrophobicContact CB-CB 3.89Å; I551-L595 HydrophobicContact CG1-CB 3.64Å; I551-L595 WeakPolarHBondContact CG1-O 3.32Å; I551-L595 PolarHBondContact N-O 3.39Å; I551-L597 HydrophobicContact CD1-CD1 4.03Å; I551-L597 HydrophobicContact CD1-CD2 3.84Å; I551-L597 HydrophobicContact CD1-CG 3.82Å; I551-I603 HydrophobicContact CD1-CD1 3.7Å; I551-I603 HydrophobicContact CD1-CG1 3.91Å; I551-I603 HydrophobicContact CG1-CD1 3.84Å; I551-I603 HydrophobicContact CG1-CG1 4.11Å; I551-L656 HydrophobicContact CG2-CD2 3.97Å; I551-L741 HydrophobicContact CD1-CD1 3.97Å
552	W	94.3	Very high	95.1	Very high	17 Å²	17	29.4 Å²	29.4	6%	0.064	16%	0.156	C	C	.	.	H	α-helix	trans	-55.3	-52.8	174.6	-179.4	80.6	0	0	0	112.6	R136 R137 A140 E550 L554 L555 R556 P592 E593	R136-W552 VanDerWaalsContact O-CH2 3.28Å; R136-W552 WeakPolarHBondContact O-CH2 3.1Å; R137-W552 HydrophobicContact CG-CZ3 4.14Å; A140-W552 HydrophobicContact CB-CD2 4.27Å; A140-W552 HydrophobicContact CB-CE3 4.39Å; A140-W552 HydrophobicContact CB-CH2 3.92Å; A140-W552 HydrophobicContact CB-CZ2 3.76Å; A140-W552 HydrophobicContact CB-CZ3 4.22Å; A140-W552 VanDerWaalsContact N-CZ2 3.29Å; E550-W552 HydrophobicContact CB-CB 4.42Å; E550-W552 PolarHBondContact O-N 3.18Å; W552-L554 VanDerWaalsContact C-N 3.3Å; W552-L554 PolarHBondContact O-N 2.95Å; W552-L555 PolarHBondContact O-N 3.2Å; W552-R556 VanDerWaalsContact CZ3-NH1 3.3Å; W552-R556 WeakPolarHBondContact O-CB 3.26Å; W552-R556 PolarHBondContact O-N 2.91Å; W552-P592 HydrophobicContact CB-CB 3.81Å; W552-P592 PolarHBondContact N-O 3.48Å; W552-E593 HydrophobicContact CB-CB 4.35Å; W552-E593 HydrophobicContact CB-CG 3.83Å; W552-E593 HydrophobicContact CD2-CG 4.26Å; W552-E593 HydrophobicContact CG-CG 3.65Å; W552-E593 PolarHBondContact NE1-OE1 2.96Å
553	S	91.5	Very high	95.1	Very high	12 Å²	12	31.5 Å²	31.5	8%	0.084	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-40.1	178.1	-78.1	0	0	0	0	111.5	E550 D557	E550-S553 PolarHBondContact O-N 3.31Å; E550-S553 PolarHBondContact OE2-OG 2.84Å; S553-D557 WeakPolarHBondContact O-CB 3.43Å; S553-D557 PolarHBondContact O-N 2.87Å
554	L	94.3	Very high	95.1	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-69.3	-35.5	176.5	-171.2	66.1	0	0	0	113.3	E550 I551 W552 R558 F561 L597 L741	E550-L554 PolarHBondContact O-N 2.9Å; I551-L554 PolarHBondContact O-N 2.83Å; W552-L554 VanDerWaalsContact C-N 3.3Å; W552-L554 PolarHBondContact O-N 2.95Å; L554-R558 HydrophobicContact CD1-CG 4.48Å; L554-R558 WeakPolarHBondContact O-CB 3.49Å; L554-R558 WeakPolarHBondContact O-CG 3.33Å; L554-R558 PolarHBondContact O-N 3.41Å; L554-F561 HydrophobicContact CB-CZ 4.31Å; L554-F561 HydrophobicContact CD2-CE1 4.47Å; L554-F561 HydrophobicContact CD2-CZ 4.05Å; L554-F561 HydrophobicContact CG-CE1 4.13Å; L554-F561 HydrophobicContact CG-CZ 4.05Å; L554-L597 HydrophobicContact CD2-CD1 4.26Å; L554-L741 HydrophobicContact CD2-CD2 3.6Å
555	L	95.7	Very high	95.2	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-69.1	-46.1	176.7	-175.4	67.9	0	0	0	110.9	I551 W552 D557 R558 G559 F561 P592 E655 L656	I551-L555 WeakPolarHBondContact O-CB 3.31Å; I551-L555 PolarHBondContact O-N 3Å; W552-L555 PolarHBondContact O-N 3.2Å; L555-D557 VanDerWaalsContact C-N 3.34Å; L555-D557 PolarHBondContact O-N 3.49Å; L555-R558 PolarHBondContact O-N 3.3Å; L555-G559 CarbonylContact O-C 3.56Å; L555-G559 VanDerWaalsContact O-C 3.31Å; L555-G559 VanDerWaalsContact O-CA 3.31Å; L555-G559 WeakPolarHBondContact O-CA 3.32Å; L555-G559 PolarHBondContact O-N 3.41Å; L555-F561 HydrophobicContact CB-CE1 4.14Å; L555-F561 HydrophobicContact CB-CZ 4.14Å; L555-F561 HydrophobicContact CD1-CD1 3.76Å; L555-F561 HydrophobicContact CD1-CD2 4.38Å; L555-F561 HydrophobicContact CD1-CE1 3.86Å; L555-F561 HydrophobicContact CD1-CE2 4.47Å; L555-F561 HydrophobicContact CD1-CG 4.02Å; L555-F561 HydrophobicContact CD1-CZ 4.21Å; L555-P592 HydrophobicContact CD2-CG 4.17Å; L555-E655 HydrophobicContact CD2-CG 3.87Å; L555-L656 HydrophobicContact CD1-CD2 4.35Å; L555-L656 HydrophobicContact CD2-CD2 4.36Å
556	R	92.8	Very high	95.4	Very high	79 Å²	79	32.8 Å²	32.8	30%	0.298	18%	0.176	S	C	.	.	H	α-helix	trans	-53.1	-50.5	172	-179.8	-163.4	68.8	-152.2	-15.4	110.9	R136 W552 R558 G559 D755	R136-R556 PolarHBondContact O-NH1 2.83Å; W552-R556 VanDerWaalsContact CZ3-NH1 3.3Å; W552-R556 WeakPolarHBondContact O-CB 3.26Å; W552-R556 PolarHBondContact O-N 2.91Å; R556-R558 PolarHBondContact O-N 3.11Å; R556-G559 PolarHBondContact O-N 3.27Å; R556-D755 IonicContact NH1-OD2 2.72Å
557	D	91.1	Very high	95.5	Very high	104 Å²	104	34.6 Å²	34.6	56%	0.556	18%	0.183	S	C	*	.	H	α-helix	trans	-73.7	-26.8	-174	-65	-3.6	0	0	0	113.1	S553 L555	S553-D557 WeakPolarHBondContact O-CB 3.43Å; S553-D557 PolarHBondContact O-N 2.87Å; L555-D557 VanDerWaalsContact C-N 3.34Å; L555-D557 PolarHBondContact O-N 3.49Å
558	R	94.4	Very high	95.6	Very high	128 Å²	128	34.2 Å²	34.2	48%	0.483	18%	0.181	S	C	.	.	H	α-helix	trans	-90.3	-8.6	171.6	-66.5	-175	-177.4	-176	1.8	113.5	L554 L555 R556 S560 F561	L554-R558 HydrophobicContact CD1-CG 4.48Å; L554-R558 WeakPolarHBondContact O-CB 3.49Å; L554-R558 WeakPolarHBondContact O-CG 3.33Å; L554-R558 PolarHBondContact O-N 3.41Å; L555-R558 PolarHBondContact O-N 3.3Å; R556-R558 PolarHBondContact O-N 3.11Å; R558-S560 PolarHBondContact O-N 3.4Å; R558-F561 HydrophobicContact CB-CD1 4.35Å; R558-F561 HydrophobicContact CB-CE1 4.32Å; R558-F561 HydrophobicContact CG-CE1 4.49Å
559	G	94.9	Very high	95.8	Very high	41 Å²	41	34.1 Å²	34.1	42%	0.423	18%	0.179	S	C	.	.	S	Bend	trans	69.6	-48.3	-168.6	0	0	0	0	0	114.1	L555 R556 G659	L555-G559 CarbonylContact O-C 3.56Å; L555-G559 VanDerWaalsContact O-C 3.31Å; L555-G559 VanDerWaalsContact O-CA 3.31Å; L555-G559 WeakPolarHBondContact O-CA 3.32Å; L555-G559 PolarHBondContact O-N 3.41Å; R556-G559 PolarHBondContact O-N 3.27Å; G559-G659 WeakPolarHBondContact O-CA 3.21Å
560	S	96.5	Very high	96	Very high	37 Å²	37	34.1 Å²	34.1	26%	0.259	18%	0.179	S	C	.	.	S	Bend	trans	-161.9	159.4	173.8	56.5	0	0	0	0	111.2	R558 K687	R558-S560 PolarHBondContact O-N 3.4Å; S560-K687 VanDerWaalsContact CB-NZ 3.34Å; S560-K687 PolarHBondContact OG-NZ 2.8Å
561	F	98.1	Very high	96.2	Very high	5 Å²	5	33.2 Å²	33.2	2%	0.022	18%	0.175	C	C	.	.			trans	-92.2	168.4	177.9	-64.6	-7.8	0	0	0	112.6	I551 L554 L555 R558 T565 L656 K687 L741	I551-F561 HydrophobicContact CG2-CE2 4.08Å; I551-F561 HydrophobicContact CG2-CZ 4.25Å; L554-F561 HydrophobicContact CB-CZ 4.31Å; L554-F561 HydrophobicContact CD2-CE1 4.47Å; L554-F561 HydrophobicContact CD2-CZ 4.05Å; L554-F561 HydrophobicContact CG-CE1 4.13Å; L554-F561 HydrophobicContact CG-CZ 4.05Å; L555-F561 HydrophobicContact CB-CE1 4.14Å; L555-F561 HydrophobicContact CB-CZ 4.14Å; L555-F561 HydrophobicContact CD1-CD1 3.76Å; L555-F561 HydrophobicContact CD1-CD2 4.38Å; L555-F561 HydrophobicContact CD1-CE1 3.86Å; L555-F561 HydrophobicContact CD1-CE2 4.47Å; L555-F561 HydrophobicContact CD1-CG 4.02Å; L555-F561 HydrophobicContact CD1-CZ 4.21Å; R558-F561 HydrophobicContact CB-CD1 4.35Å; R558-F561 HydrophobicContact CB-CE1 4.32Å; R558-F561 HydrophobicContact CG-CE1 4.49Å; F561-T565 HydrophobicContact CB-CG2 4.3Å; F561-T565 HydrophobicContact CD2-CG2 3.63Å; F561-T565 HydrophobicContact CE2-CG2 4.08Å; F561-T565 HydrophobicContact CG-CG2 3.97Å; F561-L656 WeakPolarHBondContact CB-O 3.2Å; F561-L656 HydrophobicContact CD2-CB 4.5Å; F561-L656 HydrophobicContact CD2-CD2 3.77Å; F561-L656 HydrophobicContact CE2-CD2 3.72Å; F561-L656 PolarHBondContact N-O 2.96Å; F561-K687 PolarHBondContact O-NZ 2.99Å; F561-L741 HydrophobicContact CE2-CD2 4.33Å; F561-L741 HydrophobicContact CZ-CD2 4.48Å
562	D	97	Very high	96.3	Very high	78 Å²	78	33.2 Å²	33.2	42%	0.417	18%	0.176	S	C	.	.			trans	-90.6	167.2	168.2	68.8	-28.4	0	0	0	111.4	P564 T565 A566	D562-P564 WeakPolarHBondContact OD2-CD 3.3Å; D562-T565 PolarHBondContact O-N 2.97Å; D562-T565 WeakPolarHBondContact OD1-CB 3.36Å; D562-T565 PolarHBondContact OD1-N 3.41Å; D562-T565 PolarHBondContact OD1-OG1 2.97Å; D562-A566 WeakPolarHBondContact O-CB 3.31Å; D562-A566 PolarHBondContact O-N 3.41Å
563	E	96.3	Very high	96.5	Very high	44 Å²	44	32.4 Å²	32.4	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-42	-178.6	-77.5	-161.7	-138.7	0	0	114.2	K567 L657 T689 P692 W723	E563-K567 WeakPolarHBondContact O-CB 3.37Å; E563-K567 PolarHBondContact O-N 3.3Å; E563-L657 HydrophobicContact CG-CD2 3.97Å; E563-T689 WeakPolarHBondContact OE1-CB 3.47Å; E563-T689 WeakPolarHBondContact OE1-CG2 3.36Å; E563-T689 PolarHBondContact OE1-OG1 2.87Å; E563-P692 HydrophobicContact CG-CG 4.48Å; E563-W723 PolarHBondContact OE2-NE1 2.81Å
564	P	97	Very high	96.9	Very high	84 Å²	84	31.9 Å²	31.9	55%	0.545	17%	0.168	S	C	.	.	H	α-helix	trans	-55.5	-50	172.7	-28.3	34.8	0	0	0	114	D562 K567 F568	D562-P564 WeakPolarHBondContact OD2-CD 3.3Å; P564-K567 PolarHBondContact O-N 2.9Å; P564-F568 PolarHBondContact O-N 2.93Å
565	T	98.4	Very high	97.1	Very high	7 Å²	7	32 Å²	32	4%	0.043	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-45	179.8	-55.2	0	0	0	0	111.2	F561 D562 K567 F568 C569 P740 L741	F561-T565 HydrophobicContact CB-CG2 4.3Å; F561-T565 HydrophobicContact CD2-CG2 3.63Å; F561-T565 HydrophobicContact CE2-CG2 4.08Å; F561-T565 HydrophobicContact CG-CG2 3.97Å; D562-T565 PolarHBondContact O-N 2.97Å; D562-T565 WeakPolarHBondContact OD1-CB 3.36Å; D562-T565 PolarHBondContact OD1-N 3.41Å; D562-T565 PolarHBondContact OD1-OG1 2.97Å; T565-K567 VanDerWaalsContact C-N 3.26Å; T565-K567 PolarHBondContact O-N 3.37Å; T565-F568 PolarHBondContact O-N 3.1Å; T565-C569 PolarHBondContact O-N 3.27Å; T565-C569 PolarHBondContact O-SG 2.84Å; T565-P740 HydrophobicContact CG2-CG 4.32Å; T565-L741 HydrophobicContact CG2-CD2 3.42Å; T565-L741 VanDerWaalsContact CG2-CD2 3.42Å; T565-L741 HydrophobicContact CG2-CG 4.02Å
566	A	98.5	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-36.4	176.5	0	0	0	0	0	112.1	D562 C569 V570 L653 L656 L657 W723	D562-A566 WeakPolarHBondContact O-CB 3.31Å; D562-A566 PolarHBondContact O-N 3.41Å; A566-C569 WeakPolarHBondContact O-CB 3.35Å; A566-C569 PolarHBondContact O-N 3.33Å; A566-V570 WeakPolarHBondContact O-CG2 3.4Å; A566-V570 PolarHBondContact O-N 3.12Å; A566-L653 HydrophobicContact CB-CD1 4.35Å; A566-L656 HydrophobicContact CB-CB 4.15Å; A566-L657 HydrophobicContact CB-CD2 3.75Å; A566-L657 HydrophobicContact CB-CG 4.22Å; A566-W723 HydrophobicContact CB-CH2 4.44Å; A566-W723 HydrophobicContact CB-CZ2 4.46Å
567	K	98.3	Very high	97.4	Very high	41 Å²	41	28 Å²	28	18%	0.178	15%	0.153	C	C	.	.	H	α-helix	trans	-69.2	-39.5	177.4	-167.7	179.1	-55.6	-175	0	113	E563 P564 T565 C569 G571 W723 F724 F727	E563-K567 WeakPolarHBondContact O-CB 3.37Å; E563-K567 PolarHBondContact O-N 3.3Å; P564-K567 PolarHBondContact O-N 2.9Å; T565-K567 VanDerWaalsContact C-N 3.26Å; T565-K567 PolarHBondContact O-N 3.37Å; K567-C569 VanDerWaalsContact C-N 3.34Å; K567-G571 PolarHBondContact O-N 3.41Å; K567-W723 HydrophobicContact CB-CH2 3.65Å; K567-W723 HydrophobicContact CB-CZ2 3.78Å; K567-W723 HydrophobicContact CB-CZ3 4.12Å; K567-W723 WeakPolarHBondContact CE-O 3.48Å; K567-W723 HydrophobicContact CG-CE3 4.26Å; K567-W723 HydrophobicContact CG-CH2 4.07Å; K567-W723 HydrophobicContact CG-CZ2 4.3Å; K567-W723 HydrophobicContact CG-CZ3 4.03Å; K567-W723 PolarHBondContact NZ-O 3.41Å; K567-F724 HydrophobicContact CD-CD1 4.07Å; K567-F724 HydrophobicContact CG-CD1 3.61Å; K567-F724 HydrophobicContact CG-CE1 3.56Å; K567-F727 HydrophobicContact CD-CB 4.3Å; K567-F727 HydrophobicContact CD-CD2 3.83Å; K567-F727 HydrophobicContact CD-CG 4.32Å; K567-F727 HydrophobicContact CG-CD2 3.82Å; K567-F727 HydrophobicContact CG-CE2 4.12Å; K567-F727 HydrophobicContact CG-CG 4.39Å
568	F	98.8	Very high	97.7	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-62	-42.4	169.8	-175.8	-88	0	0	0	111.4	P564 T565 G571 C572 G601 Y602 L732 L737 S739 P740 L741	P564-F568 PolarHBondContact O-N 2.93Å; T565-F568 PolarHBondContact O-N 3.1Å; F568-G571 PolarHBondContact O-N 3.49Å; F568-C572 PolarHBondContact O-N 2.88Å; F568-C572 PolarHBondContact O-SG 3.15Å; F568-G601 WeakPolarHBondContact CE1-O 3.27Å; F568-Y602 HydrophobicContact CE2-CE1 4.34Å; F568-Y602 HydrophobicContact CE2-CE2 4.45Å; F568-Y602 HydrophobicContact CZ-CD1 4.07Å; F568-Y602 HydrophobicContact CZ-CD2 4.09Å; F568-Y602 HydrophobicContact CZ-CE1 4Å; F568-Y602 HydrophobicContact CZ-CE2 4.02Å; F568-Y602 HydrophobicContact CZ-CG 4.11Å; F568-Y602 AromaticContact CZ-CZ 3.97Å; F568-L732 HydrophobicContact CD2-CD1 3.94Å; F568-L732 HydrophobicContact CE2-CD1 3.59Å; F568-L732 HydrophobicContact CZ-CD1 4.08Å; F568-L737 HydrophobicContact CD2-CD2 4Å; F568-L737 HydrophobicContact CE2-CD2 4.18Å; F568-L737 HydrophobicContact CE2-CG 4.42Å; F568-S739 WeakPolarHBondContact CE1-OG 3.42Å; F568-S739 WeakPolarHBondContact CZ-OG 3.33Å; F568-P740 HydrophobicContact CB-CG 3.82Å; F568-P740 HydrophobicContact CD1-CG 4.36Å; F568-P740 HydrophobicContact CG-CG 4Å; F568-L741 HydrophobicContact CD1-CD1 3.81Å; F568-L741 HydrophobicContact CD1-CG 4.49Å; F568-L741 HydrophobicContact CE1-CD1 4.15Å
569	C	98.8	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.4	-56.2	178.1	-62.7	0	0	0	0	112.2	T565 A566 K567 G571 C572 V573 I603 L656	T565-C569 PolarHBondContact O-N 3.27Å; T565-C569 PolarHBondContact O-SG 2.84Å; A566-C569 WeakPolarHBondContact O-CB 3.35Å; A566-C569 PolarHBondContact O-N 3.33Å; K567-C569 VanDerWaalsContact C-N 3.34Å; C569-G571 PolarHBondContact O-N 3.4Å; C569-C572 PolarHBondContact O-N 3.33Å; C569-V573 PolarHBondContact O-N 2.85Å; C569-I603 HydrophobicContact CB-CD1 3.83Å; C569-L656 HydrophobicContact CB-CD1 3.58Å
570	V	98.8	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-32.6	180	177.2	0	0	0	0	110.7	A566 V573 T574 L649 L653 L656 W723 F724	A566-V570 WeakPolarHBondContact O-CG2 3.4Å; A566-V570 PolarHBondContact O-N 3.12Å; V570-V573 PolarHBondContact O-N 3.49Å; V570-T574 WeakPolarHBondContact O-CB 3.42Å; V570-T574 PolarHBondContact O-N 3.17Å; V570-T574 PolarHBondContact O-OG1 3.49Å; V570-L649 HydrophobicContact CG1-CD1 3.9Å; V570-L649 HydrophobicContact CG1-CD2 4.18Å; V570-L649 HydrophobicContact CG1-CG 3.99Å; V570-L653 HydrophobicContact CG2-CB 4.09Å; V570-L653 HydrophobicContact CG2-CD1 4.1Å; V570-L656 HydrophobicContact CG2-CD1 4.17Å; V570-W723 HydrophobicContact CB-CH2 4.43Å; V570-W723 HydrophobicContact CB-CZ3 4.13Å; V570-W723 HydrophobicContact CG1-CZ3 4.26Å; V570-W723 HydrophobicContact CG2-CH2 4.42Å; V570-W723 HydrophobicContact CG2-CZ3 4.45Å; V570-F724 HydrophobicContact CB-CZ 4.34Å; V570-F724 HydrophobicContact CG1-CZ 3.88Å
571	G	98.6	Very high	97.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.1	-52.1	171.2	0	0	0	0	0	112.7	K567 F568 C569 V573 T574 E575 L732	K567-G571 PolarHBondContact O-N 3.41Å; F568-G571 PolarHBondContact O-N 3.49Å; C569-G571 PolarHBondContact O-N 3.4Å; G571-V573 VanDerWaalsContact C-N 3.34Å; G571-V573 PolarHBondContact O-N 3.37Å; G571-T574 WeakPolarHBondContact O-CB 3.44Å; G571-T574 PolarHBondContact O-N 3.44Å; G571-T574 VanDerWaalsContact O-N 3.14Å; G571-E575 PolarHBondContact O-N 3.13Å; G571-L732 VanDerWaalsContact C-CD2 3.43Å
572	C	98.8	Very high	97.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-44.3	178	-65	0	0	0	0	112.3	F525 F568 C569 T574 E575 A576 I603	F525-C572 HydrophobicContact CD1-CB 3.84Å; F525-C572 HydrophobicContact CE1-CB 4.19Å; F568-C572 PolarHBondContact O-N 2.88Å; F568-C572 PolarHBondContact O-SG 3.15Å; C569-C572 PolarHBondContact O-N 3.33Å; C572-T574 VanDerWaalsContact C-N 3.32Å; C572-T574 PolarHBondContact O-N 3.27Å; C572-E575 PolarHBondContact O-N 3.18Å; C572-A576 PolarHBondContact O-N 3.42Å; C572-A576 VanDerWaalsContact O-N 3.07Å; C572-I603 HydrophobicContact CB-CB 3.74Å; C572-I603 HydrophobicContact CB-CG1 4.5Å; C572-I603 HydrophobicContact CB-CG2 4.45Å
573	V	98.8	Very high	97.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.9	-34.6	178.2	179.8	0	0	0	0	111.4	C569 V570 G571 A576 F577 L590 L595 L605 L649 L652	C569-V573 PolarHBondContact O-N 2.85Å; V570-V573 PolarHBondContact O-N 3.49Å; G571-V573 VanDerWaalsContact C-N 3.34Å; G571-V573 PolarHBondContact O-N 3.37Å; V573-A576 PolarHBondContact O-N 2.92Å; V573-F577 HydrophobicContact CG1-CD1 4.41Å; V573-F577 HydrophobicContact CG1-CD2 4.04Å; V573-F577 HydrophobicContact CG1-CE1 4.13Å; V573-F577 HydrophobicContact CG1-CE2 3.72Å; V573-F577 HydrophobicContact CG1-CG 4.39Å; V573-F577 HydrophobicContact CG1-CZ 3.8Å; V573-F577 WeakPolarHBondContact O-CG 3.37Å; V573-F577 PolarHBondContact O-N 2.77Å; V573-L590 HydrophobicContact CG1-CD1 3.69Å; V573-L590 HydrophobicContact CG1-CD2 3.84Å; V573-L590 HydrophobicContact CG1-CG 4.44Å; V573-L590 HydrophobicContact CG2-CD1 4.24Å; V573-L595 HydrophobicContact CG2-CD1 4.05Å; V573-L595 HydrophobicContact CG2-CD2 3.73Å; V573-L605 HydrophobicContact CG2-CD2 4.38Å; V573-L649 HydrophobicContact CB-CD1 3.94Å; V573-L649 HydrophobicContact CG1-CD1 3.54Å; V573-L652 HydrophobicContact CG2-CD2 4.06Å
574	T	98.6	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-43.7	175.6	-56	0	0	0	0	111.4	V570 G571 C572 A576 F577 E578 I715 I718 K719 W729	V570-T574 WeakPolarHBondContact O-CB 3.42Å; V570-T574 PolarHBondContact O-N 3.17Å; V570-T574 PolarHBondContact O-OG1 3.49Å; G571-T574 WeakPolarHBondContact O-CB 3.44Å; G571-T574 PolarHBondContact O-N 3.44Å; G571-T574 VanDerWaalsContact O-N 3.14Å; C572-T574 VanDerWaalsContact C-N 3.32Å; C572-T574 PolarHBondContact O-N 3.27Å; T574-A576 VanDerWaalsContact C-N 3.33Å; T574-A576 PolarHBondContact O-N 2.85Å; T574-F577 PolarHBondContact O-N 3.07Å; T574-E578 PolarHBondContact O-N 3.05Å; T574-I715 HydrophobicContact CG2-CD1 3.72Å; T574-I715 HydrophobicContact CG2-CG1 3.65Å; T574-I715 WeakPolarHBondContact O-CD1 3.25Å; T574-I718 HydrophobicContact CG2-CG2 4.31Å; T574-K719 HydrophobicContact CG2-CG 3.96Å; T574-W729 HydrophobicContact CG2-CH2 3.84Å; T574-W729 HydrophobicContact CG2-CZ3 4.06Å
575	E	98.1	Very high	97	Very high	13 Å²	13	22.6 Å²	22.6	6%	0.061	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-37.5	173.2	-66.2	-66.5	147.2	0	0	112.1	F525 G571 C572 Y579 K719 L732	F525-E575 HydrophobicContact CD1-CB 4.44Å; F525-E575 HydrophobicContact CD2-CB 3.45Å; F525-E575 VanDerWaalsContact CD2-CB 3.45Å; F525-E575 HydrophobicContact CD2-CG 4.3Å; F525-E575 HydrophobicContact CE1-CB 4.41Å; F525-E575 HydrophobicContact CE2-CB 3.44Å; F525-E575 VanDerWaalsContact CE2-CB 3.44Å; F525-E575 HydrophobicContact CE2-CG 3.78Å; F525-E575 HydrophobicContact CG-CB 3.98Å; F525-E575 HydrophobicContact CZ-CB 3.95Å; F525-E575 HydrophobicContact CZ-CG 3.92Å; G571-E575 PolarHBondContact O-N 3.13Å; C572-E575 PolarHBondContact O-N 3.18Å; E575-Y579 PolarHBondContact O-N 3.16Å; E575-K719 VanDerWaalsContact CD-NZ 3.32Å; E575-K719 WeakPolarHBondContact OE1-CE 3.36Å; E575-K719 IonicContact OE1-NZ 3.46Å; E575-K719 PolarHBondContact OE1-NZ 3.18Å; E575-K719 IonicContact OE2-NZ 2.75Å; E575-K719 PolarHBondContact OE2-NZ 3.05Å; E575-L732 HydrophobicContact CG-CD2 3.85Å
576	A	98.4	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-43.9	175.6	0	0	0	0	0	112.3	F525 V526 C572 V573 T574 Y579 L580 L605	F525-A576 HydrophobicContact CB-CB 3.82Å; V526-A576 HydrophobicContact CG2-CB 4.34Å; C572-A576 PolarHBondContact O-N 3.42Å; C572-A576 VanDerWaalsContact O-N 3.07Å; V573-A576 PolarHBondContact O-N 2.92Å; T574-A576 VanDerWaalsContact C-N 3.33Å; T574-A576 PolarHBondContact O-N 2.85Å; A576-Y579 WeakPolarHBondContact O-CB 3.5Å; A576-Y579 PolarHBondContact O-N 2.72Å; A576-L580 WeakPolarHBondContact O-CG 3.39Å; A576-L580 PolarHBondContact O-N 3.43Å; A576-L605 HydrophobicContact CB-CD1 3.56Å; A576-L605 HydrophobicContact CB-CG 3.71Å
577	F	98.4	Very high	96.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.6	-40	176.8	-72.7	-11.1	0	0	0	112.9	V573 T574 Y579 L580 H581 Y587 L590 L605 D645 L649 I715	V573-F577 HydrophobicContact CG1-CD1 4.41Å; V573-F577 HydrophobicContact CG1-CD2 4.04Å; V573-F577 HydrophobicContact CG1-CE1 4.13Å; V573-F577 HydrophobicContact CG1-CE2 3.72Å; V573-F577 HydrophobicContact CG1-CG 4.39Å; V573-F577 HydrophobicContact CG1-CZ 3.8Å; V573-F577 WeakPolarHBondContact O-CG 3.37Å; V573-F577 PolarHBondContact O-N 2.77Å; T574-F577 PolarHBondContact O-N 3.07Å; F577-Y579 PolarHBondContact O-N 2.8Å; F577-L580 PolarHBondContact O-N 3.25Å; F577-H581 VanDerWaalsContact O-CB 3.3Å; F577-H581 WeakPolarHBondContact O-CB 3.48Å; F577-H581 VanDerWaalsContact O-CG 3.25Å; F577-H581 PolarHBondContact O-N 3.01Å; F577-Y587 AromaticContact CE1-CD1 3.94Å; F577-Y587 HydrophobicContact CE1-CD1 3.94Å; F577-Y587 HydrophobicContact CE1-CG 4.11Å; F577-Y587 HydrophobicContact CZ-CD1 4.41Å; F577-L590 HydrophobicContact CE2-CD2 3.84Å; F577-L590 HydrophobicContact CZ-CB 4.04Å; F577-L590 HydrophobicContact CZ-CD1 4.26Å; F577-L590 HydrophobicContact CZ-CD2 3.65Å; F577-L590 HydrophobicContact CZ-CG 4.19Å; F577-L605 HydrophobicContact CD1-CD1 4.19Å; F577-L605 HydrophobicContact CE1-CD1 4.05Å; F577-D645 HydrophobicContact CD2-CB 4.15Å; F577-D645 HydrophobicContact CE1-CB 4.16Å; F577-D645 HydrophobicContact CE2-CB 3.74Å; F577-D645 VanDerWaalsContact CE2-O 3.27Å; F577-D645 WeakPolarHBondContact CE2-O 3.21Å; F577-D645 HydrophobicContact CZ-CB 3.72Å; F577-L649 HydrophobicContact CE2-CB 4.31Å; F577-L649 HydrophobicContact CE2-CD1 4.22Å; F577-I715 HydrophobicContact CB-CD1 3.78Å
578	E	95.7	Very high	96.8	Very high	65 Å²	65	21.1 Å²	21.1	30%	0.304	9%	0.093	S	C	.	.	H	α-helix	trans	-56.3	-42.9	173.1	-175	177.3	159.7	0	0	110.9	T574 R582 I715 K719	T574-E578 PolarHBondContact O-N 3.05Å; E578-R582 WeakPolarHBondContact O-CB 3.44Å; E578-R582 PolarHBondContact O-N 3.07Å; E578-I715 HydrophobicContact CB-CD1 4.05Å; E578-I715 HydrophobicContact CB-CG2 3.91Å; E578-I715 HydrophobicContact CG-CG2 3.86Å; E578-K719 VanDerWaalsContact OE2-CE 3.23Å; E578-K719 WeakPolarHBondContact OE2-CE 2.94Å; E578-K719 IonicContact OE2-NZ 3.93Å; E578-K719 PolarHBondContact OE2-NZ 3.05Å
579	Y	96.7	Very high	96.7	Very high	22 Å²	22	21.4 Å²	21.4	9%	0.086	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-50.9	176.4	-178.7	-87.5	0	0	0	112.6	R522 E575 A576 F577 K583	R522-Y579 PolarHBondContact N-OH 3.25Å; R522-Y579 WeakPolarHBondContact O-CE2 3.36Å; E575-Y579 PolarHBondContact O-N 3.16Å; A576-Y579 WeakPolarHBondContact O-CB 3.5Å; A576-Y579 PolarHBondContact O-N 2.72Å; F577-Y579 PolarHBondContact O-N 2.8Å; Y579-K583 HydrophobicContact CD1-CG 4.48Å; Y579-K583 HydrophobicContact CE1-CG 3.9Å; Y579-K583 WeakPolarHBondContact O-CG 3.41Å; Y579-K583 PolarHBondContact O-N 3.41Å; Y579-K583 WeakPolarHBondContact OH-CE 3.45Å
580	L	96.6	Very high	96.7	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-69.2	-45.7	-174.1	-69.5	174.8	0	0	0	112.4	V526 A576 F577 R582 K583 G584 V585 Y587 L605 F608	V526-L580 HydrophobicContact CG2-CG 4.49Å; A576-L580 WeakPolarHBondContact O-CG 3.39Å; A576-L580 PolarHBondContact O-N 3.43Å; F577-L580 PolarHBondContact O-N 3.25Å; L580-R582 VanDerWaalsContact C-N 3.34Å; L580-R582 PolarHBondContact O-N 3.32Å; L580-K583 CarbonylContact O-C 3.5Å; L580-K583 WeakPolarHBondContact O-CA 3.2Å; L580-K583 WeakPolarHBondContact O-CB 2.96Å; L580-K583 PolarHBondContact O-N 3.02Å; L580-G584 PolarHBondContact O-N 3.45Å; L580-V585 CarbonylContact C-O 3.56Å; L580-V585 HydrophobicContact CB-CB 4.28Å; L580-V585 HydrophobicContact CB-CG1 4.5Å; L580-V585 HydrophobicContact CD2-CB 4.33Å; L580-V585 HydrophobicContact CD2-CG1 4.13Å; L580-V585 PolarHBondContact O-N 3.22Å; L580-Y587 HydrophobicContact CD1-CD2 4.2Å; L580-L605 HydrophobicContact CD1-CD1 3.81Å; L580-F608 HydrophobicContact CD1-CE1 3.79Å; L580-F608 HydrophobicContact CD1-CZ 4.04Å; L580-F608 HydrophobicContact CD2-CE1 3.83Å; L580-F608 HydrophobicContact CD2-CZ 4.41Å; L580-F608 HydrophobicContact CG-CE1 4.5Å
581	H	94.4	Very high	96.6	Very high	28 Å²	28	21.9 Å²	21.9	13%	0.13	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-40.1	179.4	-63.9	177.9	0	0	0	111.1	F577 K583 G584 V585 F642 D645 F646	F577-H581 VanDerWaalsContact O-CB 3.3Å; F577-H581 WeakPolarHBondContact O-CB 3.48Å; F577-H581 VanDerWaalsContact O-CG 3.25Å; F577-H581 PolarHBondContact O-N 3.01Å; H581-K583 PolarHBondContact O-N 2.68Å; H581-G584 PolarHBondContact O-N 2.92Å; H581-V585 PolarHBondContact CD2-O 2.86Å; H581-F642 HydrophobicContact CB-CD1 4.23Å; H581-F642 HydrophobicContact CB-CG 4.36Å; H581-F642 AromaticContact CD2-CD1 3.61Å; H581-F642 AromaticContact CG-CD1 3.95Å; H581-D645 IonicContact CD2-OD2 2.93Å; H581-D645 IonicContact CE1-OD2 2.92Å; H581-D645 IonicContact NE2-OD2 3.65Å; H581-D645 PolarHBondContact NE2-OD2 2.92Å; H581-F646 AromaticContact CE1-CE1 3.63Å; H581-F646 AromaticContact CE1-CE2 3.99Å; H581-F646 AromaticContact CE1-CZ 3.42Å; H581-F646 VanDerWaalsContact CE1-CZ 3.42Å; H581-F646 WeakPolarHBondContact CE1-CZ 3.44Å; H581-F646 AromaticContact ND1-CE1 3.74Å; H581-F646 AromaticContact ND1-CE2 3.97Å; H581-F646 AromaticContact ND1-CZ 3.22Å; H581-F646 WeakPolarHBondContact ND1-CZ 3.39Å
582	R	92.2	Very high	96.5	Very high	174 Å²	174	21.9 Å²	21.9	66%	0.657	10%	0.097	S	C	*	.	H	α-helix	trans	-65	-18	172.2	-170.5	179.4	64	158.3	-0.3	113.5	E578 L580	E578-R582 WeakPolarHBondContact O-CB 3.44Å; E578-R582 PolarHBondContact O-N 3.07Å; L580-R582 VanDerWaalsContact C-N 3.34Å; L580-R582 PolarHBondContact O-N 3.32Å
583	K	92.4	Very high	96.3	Very high	95 Å²	95	22.9 Å²	22.9	41%	0.413	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.2	170.8	-73.2	-66.8	-167.8	171.3	0	113.7	Y579 L580 H581 V585	Y579-K583 HydrophobicContact CD1-CG 4.48Å; Y579-K583 HydrophobicContact CE1-CG 3.9Å; Y579-K583 WeakPolarHBondContact O-CG 3.41Å; Y579-K583 PolarHBondContact O-N 3.41Å; Y579-K583 WeakPolarHBondContact OH-CE 3.45Å; L580-K583 CarbonylContact O-C 3.5Å; L580-K583 WeakPolarHBondContact O-CA 3.2Å; L580-K583 WeakPolarHBondContact O-CB 2.96Å; L580-K583 PolarHBondContact O-N 3.02Å; H581-K583 PolarHBondContact O-N 2.68Å; K583-V585 VanDerWaalsContact C-N 3.35Å; K583-V585 HydrophobicContact CB-CG2 4.38Å
584	G	92.2	Very high	96.2	Very high	16 Å²	16	23.5 Å²	23.5	17%	0.165	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	20	-177.2	0	0	0	0	0	113.9	L580 H581 K613 I614	L580-G584 PolarHBondContact O-N 3.45Å; H581-G584 PolarHBondContact O-N 2.92Å; G584-K613 CarbonylContact O-C 3.48Å; G584-K613 VanDerWaalsContact O-CA 3.31Å; G584-K613 WeakPolarHBondContact O-CA 3.34Å; G584-I614 PolarHBondContact O-N 2.84Å
585	V	96.1	Very high	96.2	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.03	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.7	-176.2	175.5	0	0	0	0	110.6	I517 L580 H581 K583 A611 K612 K613	I517-V585 HydrophobicContact CD1-CG1 3.95Å; I517-V585 HydrophobicContact CD1-CG2 4.44Å; I517-V585 HydrophobicContact CG1-CG1 4.39Å; I517-V585 HydrophobicContact CG1-CG2 4.18Å; I517-V585 HydrophobicContact CG2-CG1 3.93Å; I517-V585 HydrophobicContact CG2-CG2 4.29Å; L580-V585 CarbonylContact C-O 3.56Å; L580-V585 HydrophobicContact CB-CB 4.28Å; L580-V585 HydrophobicContact CB-CG1 4.5Å; L580-V585 HydrophobicContact CD2-CB 4.33Å; L580-V585 HydrophobicContact CD2-CG1 4.13Å; L580-V585 PolarHBondContact O-N 3.22Å; H581-V585 PolarHBondContact CD2-O 2.86Å; K583-V585 VanDerWaalsContact C-N 3.35Å; K583-V585 HydrophobicContact CB-CG2 4.38Å; V585-A611 HydrophobicContact CG1-CB 4.24Å; V585-K612 WeakPolarHBondContact CA-O 3.45Å; V585-K613 HydrophobicContact CG2-CB 4.31Å; V585-K613 HydrophobicContact CG2-CG 4.02Å
586	L	95.6	Very high	96.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	149.9	161.9	-51.7	82.5	0	0	0	109.3	R588 A611 K612 I614 N641 F642 V644 D645	L586-R588 HydrophobicContact CB-CG 3.69Å; L586-R588 HydrophobicContact CD2-CG 4.15Å; L586-A611 VanDerWaalsContact O-CA 3.22Å; L586-A611 WeakPolarHBondContact O-CA 3.37Å; L586-A611 WeakPolarHBondContact O-CB 3.13Å; L586-K612 VanDerWaalsContact CD1-O 3.29Å; L586-K612 WeakPolarHBondContact CD1-O 3.15Å; L586-K612 PolarHBondContact N-O 2.83Å; L586-K612 PolarHBondContact O-N 3.35Å; L586-K612 VanDerWaalsContact O-N 3.09Å; L586-I614 HydrophobicContact CD1-CB 4.16Å; L586-I614 HydrophobicContact CD1-CD1 3.72Å; L586-I614 HydrophobicContact CD1-CG1 3.59Å; L586-I614 HydrophobicContact CD1-CG2 3.58Å; L586-N641 VanDerWaalsContact CD2-C 3.42Å; L586-N641 VanDerWaalsContact CD2-O 3.31Å; L586-N641 WeakPolarHBondContact CD2-O 3.43Å; L586-F642 HydrophobicContact CD1-CD1 4.37Å; L586-F642 HydrophobicContact CD1-CE1 4.13Å; L586-F642 HydrophobicContact CG-CD1 3.88Å; L586-F642 HydrophobicContact CG-CE1 4.15Å; L586-V644 HydrophobicContact CD2-CG2 4.19Å; L586-D645 WeakPolarHBondContact CA-OD2 3.38Å
587	Y	97.6	Very high	96.1	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.012	11%	0.108	C	C	.	.			trans	-94.8	-48.1	177.5	-172.7	-117.5	0	0	0	113.3	F577 L580 D589 L590 N594 L605 V606 F608 F610 D645	F577-Y587 AromaticContact CE1-CD1 3.94Å; F577-Y587 HydrophobicContact CE1-CD1 3.94Å; F577-Y587 HydrophobicContact CE1-CG 4.11Å; F577-Y587 HydrophobicContact CZ-CD1 4.41Å; L580-Y587 HydrophobicContact CD1-CD2 4.2Å; Y587-D589 WeakPolarHBondContact CE1-O 3.46Å; Y587-D589 PolarHBondContact O-N 2.94Å; Y587-D589 VanDerWaalsContact O-N 3.07Å; Y587-L590 HydrophobicContact CD1-CB 4.07Å; Y587-L590 HydrophobicContact CE1-CB 4.2Å; Y587-L590 HydrophobicContact CE1-CD1 4.39Å; Y587-N594 PolarHBondContact OH-O 2.94Å; Y587-L605 HydrophobicContact CD1-CD1 4.33Å; Y587-L605 HydrophobicContact CD2-CD1 4.04Å; Y587-L605 HydrophobicContact CE1-CD1 4.21Å; Y587-L605 HydrophobicContact CE1-CD2 4.22Å; Y587-L605 HydrophobicContact CE2-CB 3.97Å; Y587-L605 HydrophobicContact CE2-CD1 3.94Å; Y587-L605 HydrophobicContact CE2-CG 4.45Å; Y587-L605 HydrophobicContact CG-CD1 4.21Å; Y587-V606 PolarHBondContact OH-N 3.02Å; Y587-V606 PolarHBondContact OH-O 3.06Å; Y587-F608 HydrophobicContact CD2-CD1 4.16Å; Y587-F608 AromaticContact CD2-CE1 3.79Å; Y587-F608 HydrophobicContact CD2-CE1 3.79Å; Y587-F608 HydrophobicContact CD2-CE2 4.39Å; Y587-F608 AromaticContact CD2-CZ 3.92Å; Y587-F608 HydrophobicContact CD2-CZ 3.92Å; Y587-F608 HydrophobicContact CE2-CD1 4.24Å; Y587-F608 HydrophobicContact CE2-CD2 4.01Å; Y587-F608 AromaticContact CE2-CE1 3.93Å; Y587-F608 HydrophobicContact CE2-CE1 3.93Å; Y587-F608 AromaticContact CE2-CE2 3.69Å; Y587-F608 HydrophobicContact CE2-CE2 3.69Å; Y587-F608 HydrophobicContact CE2-CG 4.28Å; Y587-F608 AromaticContact CE2-CZ 3.64Å; Y587-F608 HydrophobicContact CE2-CZ 3.64Å; Y587-F610 CarbonylContact O-C 3.06Å; Y587-D645 PolarHBondContact N-OD1 2.74Å; Y587-D645 PolarHBondContact N-OD2 2.73Å
588	R	96.9	Very high	96	Very high	14 Å²	14	24.8 Å²	24.8	5%	0.053	11%	0.111	C	C	.	.			trans	64	-3.8	171.5	-50.2	-167.8	-67.4	158.2	10.3	118.7	L586 F610 T622 C624 G625 H640 V644 D645	L586-R588 HydrophobicContact CB-CG 3.69Å; L586-R588 HydrophobicContact CD2-CG 4.15Å; R588-F610 HydrophobicContact CB-CB 4.36Å; R588-F610 VanDerWaalsContact CZ-O 3.24Å; R588-F610 PolarHBondContact NE-O 3.05Å; R588-F610 PolarHBondContact NH2-O 3.34Å; R588-T622 PolarHBondContact NH1-O 2.86Å; R588-T622 VanDerWaalsContact NH1-O 3.07Å; R588-C624 PolarHBondContact NE-SG 3.01Å; R588-C624 PolarHBondContact NH1-SG 3.41Å; R588-G625 WeakPolarHBondContact O-CA 3.32Å; R588-H640 WeakPolarHBondContact CD-NE2 2.91Å; R588-H640 PolarHBondContact NH1-NE2 3.37Å; R588-V644 HydrophobicContact CG-CG2 4.17Å; R588-D645 PolarHBondContact N-OD1 2.93Å
589	D	96.4	Very high	95.8	Very high	10 Å²	10	24.9 Å²	24.9	5%	0.053	12%	0.119	C	C	.	.			trans	-134.6	55.8	169.2	-152.3	40.2	0	0	0	112.5	Y587 K591 N594 F610 T626	Y587-D589 WeakPolarHBondContact CE1-O 3.46Å; Y587-D589 PolarHBondContact O-N 2.94Å; Y587-D589 VanDerWaalsContact O-N 3.07Å; D589-K591 PolarHBondContact O-N 3.17Å; D589-K591 IonicContact OD1-NZ 3.3Å; D589-K591 WeakPolarHBondContact OD2-CE 3.45Å; D589-K591 IonicContact OD2-NZ 2.64Å; D589-K591 PolarHBondContact OD2-NZ 3.5Å; D589-N594 PolarHBondContact O-ND2 2.92Å; D589-N594 PolarHBondContact OD2-ND2 3.21Å; D589-F610 HydrophobicContact CB-CB 4.4Å; D589-F610 HydrophobicContact CB-CD2 3.76Å; D589-F610 HydrophobicContact CB-CE2 4.44Å; D589-F610 HydrophobicContact CB-CG 4.45Å; D589-T626 WeakPolarHBondContact OD1-CB 3.32Å; D589-T626 PolarHBondContact OD1-N 3.29Å; D589-T626 PolarHBondContact OD1-OG1 3.4Å
590	L	98.5	Very high	95.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.133	C	C	.	.			trans	-75.3	123.5	169.8	-179.8	68.9	0	0	0	110.5	V573 F577 Y587 L595 L605 Y629 A648 L649 L652	V573-L590 HydrophobicContact CG1-CD1 3.69Å; V573-L590 HydrophobicContact CG1-CD2 3.84Å; V573-L590 HydrophobicContact CG1-CG 4.44Å; V573-L590 HydrophobicContact CG2-CD1 4.24Å; F577-L590 HydrophobicContact CE2-CD2 3.84Å; F577-L590 HydrophobicContact CZ-CB 4.04Å; F577-L590 HydrophobicContact CZ-CD1 4.26Å; F577-L590 HydrophobicContact CZ-CD2 3.65Å; F577-L590 HydrophobicContact CZ-CG 4.19Å; Y587-L590 HydrophobicContact CD1-CB 4.07Å; Y587-L590 HydrophobicContact CE1-CB 4.2Å; Y587-L590 HydrophobicContact CE1-CD1 4.39Å; L590-L595 HydrophobicContact CD1-CD2 3.81Å; L590-L595 HydrophobicContact CD1-CG 4.42Å; L590-L605 HydrophobicContact CD1-CD2 4.26Å; L590-Y629 WeakPolarHBondContact O-CD1 3.46Å; L590-Y629 WeakPolarHBondContact O-CE1 3.39Å; L590-Y629 VanDerWaalsContact O-CG 3.26Å; L590-A648 HydrophobicContact CB-CB 3.96Å; L590-A648 HydrophobicContact CD2-CB 4.26Å; L590-L649 HydrophobicContact CD2-CB 4.31Å; L590-L649 HydrophobicContact CD2-CD1 4.01Å; L590-L652 HydrophobicContact CD1-CD2 4.12Å; L590-L652 HydrophobicContact CD2-CB 4.15Å; L590-L652 HydrophobicContact CD2-CD2 3.93Å; L590-L652 HydrophobicContact CG-CD2 4.2Å
591	K	97	Very high	95.7	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	13%	0.133	C	C	.	.	S	Bend	trans	-165.7	159.4	173.9	59.3	-179.1	165.5	-162	0	109.4	K141 D589 E593 N594 T626 Y629	K141-K591 PolarHBondContact O-NZ 2.83Å; D589-K591 PolarHBondContact O-N 3.17Å; D589-K591 IonicContact OD1-NZ 3.3Å; D589-K591 WeakPolarHBondContact OD2-CE 3.45Å; D589-K591 IonicContact OD2-NZ 2.64Å; D589-K591 PolarHBondContact OD2-NZ 3.5Å; K591-E593 WeakPolarHBondContact CB-OE2 3.3Å; K591-E593 HydrophobicContact CD-CB 3.96Å; K591-E593 HydrophobicContact CD-CG 4.32Å; K591-E593 WeakPolarHBondContact CD-OE2 3.1Å; K591-E593 HydrophobicContact CG-CB 4.02Å; K591-E593 WeakPolarHBondContact CG-OE2 3.45Å; K591-E593 PolarHBondContact O-N 3.28Å; K591-N594 VanDerWaalsContact CE-ND2 3.32Å; K591-N594 WeakPolarHBondContact CE-ND2 3.41Å; K591-N594 WeakPolarHBondContact CE-OD1 3.14Å; K591-N594 HydrophobicContact CG-CB 4.18Å; K591-N594 PolarHBondContact O-N 3.25Å; K591-T626 HydrophobicContact CD-CG2 4.12Å; K591-T626 WeakPolarHBondContact CD-OG1 3.25Å; K591-T626 WeakPolarHBondContact CE-OG1 3.44Å; K591-T626 PolarHBondContact NZ-OG1 2.97Å; K591-Y629 HydrophobicContact CB-CD2 4.2Å; K591-Y629 HydrophobicContact CB-CE1 4.49Å; K591-Y629 HydrophobicContact CB-CE2 3.94Å
592	P	97.4	Very high	95.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-51.4	-28.6	177.9	-30.6	37	0	0	0	115.5	I551 W552 L555 N594 L595 Y629 L652	I551-P592 HydrophobicContact CG2-CB 4.24Å; W552-P592 HydrophobicContact CB-CB 3.81Å; W552-P592 PolarHBondContact N-O 3.48Å; L555-P592 HydrophobicContact CD2-CG 4.17Å; P592-N594 VanDerWaalsContact C-N 3.33Å; P592-L595 PolarHBondContact O-N 2.86Å; P592-Y629 WeakPolarHBondContact CD-OH 3.38Å; P592-L652 HydrophobicContact CG-CD1 3.86Å
593	E	94.3	Very high	96.2	Very high	22 Å²	22	18.2 Å²	18.2	10%	0.103	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-68.5	-32.7	179.6	-63	83.3	156.9	0	0	111.8	A140 K141 W552 K591 L595	A140-E593 HydrophobicContact CB-CG 4.37Å; K141-E593 WeakPolarHBondContact CB-OE1 3.34Å; K141-E593 WeakPolarHBondContact CG-OE1 3.41Å; K141-E593 PolarHBondContact N-OE1 3.23Å; K141-E593 IonicContact NZ-OE1 2.7Å; W552-E593 HydrophobicContact CB-CB 4.35Å; W552-E593 HydrophobicContact CB-CG 3.83Å; W552-E593 HydrophobicContact CD2-CG 4.26Å; W552-E593 HydrophobicContact CG-CG 3.65Å; W552-E593 PolarHBondContact NE1-OE1 2.96Å; K591-E593 WeakPolarHBondContact CB-OE2 3.3Å; K591-E593 HydrophobicContact CD-CB 3.96Å; K591-E593 HydrophobicContact CD-CG 4.32Å; K591-E593 WeakPolarHBondContact CD-OE2 3.1Å; K591-E593 HydrophobicContact CG-CB 4.02Å; K591-E593 WeakPolarHBondContact CG-OE2 3.45Å; K591-E593 PolarHBondContact O-N 3.28Å; E593-L595 VanDerWaalsContact C-N 3.31Å
594	N	96.6	Very high	96.5	Very high	13 Å²	13	13.9 Å²	13.9	7%	0.07	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-96.4	18.1	-178.6	-63.9	4.2	0	0	0	112.2	Y587 D589 K591 P592 V606	Y587-N594 PolarHBondContact OH-O 2.94Å; D589-N594 PolarHBondContact O-ND2 2.92Å; D589-N594 PolarHBondContact OD2-ND2 3.21Å; K591-N594 VanDerWaalsContact CE-ND2 3.32Å; K591-N594 WeakPolarHBondContact CE-ND2 3.41Å; K591-N594 WeakPolarHBondContact CE-OD1 3.14Å; K591-N594 HydrophobicContact CG-CB 4.18Å; K591-N594 PolarHBondContact O-N 3.25Å; P592-N594 VanDerWaalsContact C-N 3.33Å; N594-V606 WeakPolarHBondContact O-CG2 3.22Å; N594-V606 PolarHBondContact O-N 3.27Å; N594-V606 VanDerWaalsContact O-N 3.17Å
595	L	98.4	Very high	96.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.2	175.6	-60.3	-176.4	0	0	0	109	I551 V573 L590 P592 E593 I603 L605 L652	I551-L595 HydrophobicContact CB-CB 3.89Å; I551-L595 HydrophobicContact CG1-CB 3.64Å; I551-L595 WeakPolarHBondContact CG1-O 3.32Å; I551-L595 PolarHBondContact N-O 3.39Å; V573-L595 HydrophobicContact CG2-CD1 4.05Å; V573-L595 HydrophobicContact CG2-CD2 3.73Å; L590-L595 HydrophobicContact CD1-CD2 3.81Å; L590-L595 HydrophobicContact CD1-CG 4.42Å; P592-L595 PolarHBondContact O-N 2.86Å; E593-L595 VanDerWaalsContact C-N 3.31Å; L595-I603 HydrophobicContact CB-CG2 3.86Å; L595-I603 HydrophobicContact CD2-CG2 3.85Å; L595-I603 HydrophobicContact CG-CG2 4.28Å; L595-L605 HydrophobicContact CD2-CD2 3.32Å; L595-L652 HydrophobicContact CD1-CD1 4.05Å; L595-L652 HydrophobicContact CD1-CD2 3.84Å
596	M	97.2	Very high	96.8	Very high	27 Å²	27	14.1 Å²	14.1	13%	0.133	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.2	-177.3	-72.7	-91.2	-74.2	0	0	111.2	C546 E550 I603 K604 V606 F754	C546-M596 HydrophobicContact CB-CB 3.82Å; C546-M596 HydrophobicContact CB-CE 4.01Å; C546-M596 WeakPolarHBondContact O-CE 3.39Å; E550-M596 HydrophobicContact CG-SD 3.98Å; M596-I603 CarbonylContact O-C 3.31Å; M596-I603 WeakPolarHBondContact O-CA 3.16Å; M596-K604 PolarHBondContact N-O 3.4Å; M596-K604 PolarHBondContact O-N 3.3Å; M596-V606 HydrophobicContact CB-CG1 3.96Å; M596-V606 HydrophobicContact CB-CG2 4.3Å; M596-V606 HydrophobicContact CG-CB 4.32Å; M596-V606 HydrophobicContact CG-CG1 3.86Å; M596-V606 HydrophobicContact CG-CG2 3.52Å; M596-F754 HydrophobicContact CE-CE1 3.74Å; M596-F754 HydrophobicContact CE-CZ 3.77Å; M596-F754 HydrophobicContact SD-CE1 4.19Å
597	L	97.9	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.3	177.2	-69.3	169.4	0	0	0	111.3	C546 L547 G548 G549 I551 L554 G601 Y602 I603 L741	C546-L597 CarbonylContact C-O 3.58Å; L547-L597 PolarHBondContact N-O 3.25Å; G548-L597 WeakPolarHBondContact CA-O 3.47Å; G548-L597 PolarHBondContact N-O 3.07Å; G549-L597 PolarHBondContact O-N 3.13Å; I551-L597 HydrophobicContact CD1-CD1 4.03Å; I551-L597 HydrophobicContact CD1-CD2 3.84Å; I551-L597 HydrophobicContact CD1-CG 3.82Å; L554-L597 HydrophobicContact CD2-CD1 4.26Å; L597-G601 WeakPolarHBondContact CD2-O 3.41Å; L597-Y602 WeakPolarHBondContact CA-O 3.22Å; L597-I603 HydrophobicContact CD2-CG1 3.84Å; L597-L741 HydrophobicContact CD1-CB 4.16Å; L597-L741 HydrophobicContact CD2-CB 3.71Å; L597-L741 HydrophobicContact CD2-CD1 3.91Å; L597-L741 HydrophobicContact CD2-CG 4.41Å
598	D	95.3	Very high	96.5	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.07	9%	0.094	C	C	.	.			trans	-79.4	178.3	162.7	66.1	43.5	0	0	0	112.3	E600 G601 Y602 K604 R735	D598-E600 PolarHBondContact O-N 3.16Å; D598-E600 PolarHBondContact OD1-N 3.4Å; D598-E600 VanDerWaalsContact OD1-N 3.09Å; D598-G601 WeakPolarHBondContact O-CA 3.41Å; D598-G601 PolarHBondContact O-N 2.95Å; D598-Y602 PolarHBondContact N-O 3.12Å; D598-Y602 PolarHBondContact OD1-N 2.89Å; D598-Y602 WeakPolarHBondContact OD2-CB 3.38Å; D598-K604 HydrophobicContact CB-CD 4.2Å; D598-K604 VanDerWaalsContact OD2-CE 3.22Å; D598-K604 WeakPolarHBondContact OD2-CE 3.42Å; D598-R735 VanDerWaalsContact CG-NH2 3.25Å; D598-R735 IonicContact OD1-CZ 2.82Å; D598-R735 IonicContact OD1-NH2 3.87Å; D598-R735 PolarHBondContact OD1-NH2 2.99Å; D598-R735 IonicContact OD2-CZ 3.44Å; D598-R735 VanDerWaalsContact OD2-CZ 3.27Å; D598-R735 IonicContact OD2-NH1 3.4Å; D598-R735 PolarHBondContact OD2-NH1 3.49Å; D598-R735 IonicContact OD2-NH2 3.13Å; D598-R735 PolarHBondContact OD2-NH2 3.1Å
599	S	92.7	Very high	96.2	Very high	68 Å²	68	17.4 Å²	17.4	48%	0.476	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.4	-176.3	48.2	0	0	0	0	114.5	G601	S599-G601 VanDerWaalsContact C-N 3.31Å
600	E	94.4	Very high	95.9	Very high	79 Å²	79	18.2 Å²	18.2	37%	0.369	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.9	175.1	-64.7	-56.8	114.2	0	0	112.6	D598 Y602 S739 R742	D598-E600 PolarHBondContact O-N 3.16Å; D598-E600 PolarHBondContact OD1-N 3.4Å; D598-E600 VanDerWaalsContact OD1-N 3.09Å; E600-Y602 VanDerWaalsContact C-N 3.29Å; E600-Y602 HydrophobicContact CB-CD2 4.25Å; E600-Y602 PolarHBondContact O-N 3.27Å; E600-S739 WeakPolarHBondContact O-CB 2.91Å; E600-R742 IonicContact OE1-CZ 2.8Å; E600-R742 IonicContact OE1-NE 2.73Å; E600-R742 PolarHBondContact OE1-NE 2.86Å; E600-R742 IonicContact OE1-NH2 3.06Å; E600-R742 PolarHBondContact OE1-NH2 3.38Å; E600-R742 IonicContact OE2-CZ 3.88Å; E600-R742 IonicContact OE2-NE 3Å; E600-R742 PolarHBondContact OE2-NE 2.76Å; E600-R742 VanDerWaalsContact OE2-NE 3.1Å; E600-R742 IonicContact OE2-NH2 2.74Å; E600-R742 PolarHBondContact OE2-NH2 2.81Å
601	G	96.6	Very high	95.8	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	10%	0.101	C	C	.	.	S	Bend	trans	71.3	22	-177.9	0	0	0	0	0	113.5	F568 L597 D598 S599 S739	F568-G601 WeakPolarHBondContact CE1-O 3.27Å; L597-G601 WeakPolarHBondContact CD2-O 3.41Å; D598-G601 WeakPolarHBondContact O-CA 3.41Å; D598-G601 PolarHBondContact O-N 2.95Å; S599-G601 VanDerWaalsContact C-N 3.31Å; G601-S739 WeakPolarHBondContact O-CB 3.49Å; G601-S739 PolarHBondContact O-OG 3.43Å
602	Y	98.4	Very high	95.6	Very high	6 Å²	6	19.2 Å²	19.2	2%	0.024	11%	0.105	C	C	.	.			trans	-87	142	172.2	-89.9	-105.3	0	0	0	110.6	F525 F568 L597 D598 E600 L732 R735 L737	F525-Y602 AromaticContact CE1-CD1 3.82Å; F525-Y602 HydrophobicContact CE1-CD1 3.82Å; F525-Y602 HydrophobicContact CE1-CE1 4.13Å; F568-Y602 HydrophobicContact CE2-CE1 4.34Å; F568-Y602 HydrophobicContact CE2-CE2 4.45Å; F568-Y602 HydrophobicContact CZ-CD1 4.07Å; F568-Y602 HydrophobicContact CZ-CD2 4.09Å; F568-Y602 HydrophobicContact CZ-CE1 4Å; F568-Y602 HydrophobicContact CZ-CE2 4.02Å; F568-Y602 HydrophobicContact CZ-CG 4.11Å; F568-Y602 AromaticContact CZ-CZ 3.97Å; L597-Y602 WeakPolarHBondContact CA-O 3.22Å; D598-Y602 PolarHBondContact N-O 3.12Å; D598-Y602 PolarHBondContact OD1-N 2.89Å; D598-Y602 WeakPolarHBondContact OD2-CB 3.38Å; E600-Y602 VanDerWaalsContact C-N 3.29Å; E600-Y602 HydrophobicContact CB-CD2 4.25Å; E600-Y602 PolarHBondContact O-N 3.27Å; Y602-L732 HydrophobicContact CD1-CD1 4.5Å; Y602-L732 HydrophobicContact CE1-CD1 3.74Å; Y602-L732 HydrophobicContact CE1-CG 4.38Å; Y602-L732 WeakPolarHBondContact CE1-O 3.48Å; Y602-R735 VanDerWaalsContact CB-NH1 3.32Å; Y602-R735 HydrophobicContact CD1-CG 4.16Å; Y602-R735 HydrophobicContact CE1-CB 4.32Å; Y602-R735 HydrophobicContact CE1-CG 3.91Å; Y602-R735 HydrophobicContact CE2-CB 4.44Å; Y602-R735 VanDerWaalsContact OH-CA 3.31Å; Y602-R735 WeakPolarHBondContact OH-CA 3.41Å; Y602-L737 PolarHBondContact OH-N 2.68Å; Y602-L737 PolarHBondContact OH-O 2.62Å
603	I	98.6	Very high	95.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.5	-179.7	-63.9	177	0	0	0	110.9	I551 C569 C572 L595 M596 L597 L741	I551-I603 HydrophobicContact CD1-CD1 3.7Å; I551-I603 HydrophobicContact CD1-CG1 3.91Å; I551-I603 HydrophobicContact CG1-CD1 3.84Å; I551-I603 HydrophobicContact CG1-CG1 4.11Å; C569-I603 HydrophobicContact CB-CD1 3.83Å; C572-I603 HydrophobicContact CB-CB 3.74Å; C572-I603 HydrophobicContact CB-CG1 4.5Å; C572-I603 HydrophobicContact CB-CG2 4.45Å; L595-I603 HydrophobicContact CB-CG2 3.86Å; L595-I603 HydrophobicContact CD2-CG2 3.85Å; L595-I603 HydrophobicContact CG-CG2 4.28Å; M596-I603 CarbonylContact O-C 3.31Å; M596-I603 WeakPolarHBondContact O-CA 3.16Å; L597-I603 HydrophobicContact CD2-CG1 3.84Å; I603-L741 HydrophobicContact CD1-CD1 4.08Å; I603-L741 HydrophobicContact CG1-CD1 4.23Å
604	K	98.4	Very high	95.1	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.017	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.1	166.8	-70.6	159.5	177.4	-70	0	110.3	A524 F525 E544 C546 M596 D598	A524-K604 WeakPolarHBondContact O-CG 3.36Å; A524-K604 PolarHBondContact O-NZ 3.49Å; F525-K604 WeakPolarHBondContact O-CA 3.42Å; E544-K604 IonicContact OE1-NZ 2.86Å; E544-K604 PolarHBondContact OE1-NZ 3.03Å; E544-K604 WeakPolarHBondContact OE2-CE 3.29Å; E544-K604 IonicContact OE2-NZ 3.53Å; E544-K604 PolarHBondContact OE2-NZ 3.46Å; C546-K604 WeakPolarHBondContact SG-CD 3.49Å; M596-K604 PolarHBondContact N-O 3.4Å; M596-K604 PolarHBondContact O-N 3.3Å; D598-K604 HydrophobicContact CB-CD 4.2Å; D598-K604 VanDerWaalsContact OD2-CE 3.22Å; D598-K604 WeakPolarHBondContact OD2-CE 3.42Å
605	L	98.4	Very high	94.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	135.1	164.1	-60.7	-169.8	0	0	0	109.9	F525 V527 V573 A576 F577 L580 Y587 L590 L595 F608	F525-L605 PolarHBondContact O-N 2.77Å; V527-L605 WeakPolarHBondContact CG1-O 3.43Å; V527-L605 PolarHBondContact N-O 2.72Å; V573-L605 HydrophobicContact CG2-CD2 4.38Å; A576-L605 HydrophobicContact CB-CD1 3.56Å; A576-L605 HydrophobicContact CB-CG 3.71Å; F577-L605 HydrophobicContact CD1-CD1 4.19Å; F577-L605 HydrophobicContact CE1-CD1 4.05Å; L580-L605 HydrophobicContact CD1-CD1 3.81Å; Y587-L605 HydrophobicContact CD1-CD1 4.33Å; Y587-L605 HydrophobicContact CD2-CD1 4.04Å; Y587-L605 HydrophobicContact CE1-CD1 4.21Å; Y587-L605 HydrophobicContact CE1-CD2 4.22Å; Y587-L605 HydrophobicContact CE2-CB 3.97Å; Y587-L605 HydrophobicContact CE2-CD1 3.94Å; Y587-L605 HydrophobicContact CE2-CG 4.45Å; Y587-L605 HydrophobicContact CG-CD1 4.21Å; L590-L605 HydrophobicContact CD1-CD2 4.26Å; L595-L605 HydrophobicContact CD2-CD2 3.32Å; L605-F608 HydrophobicContact CB-CE2 3.98Å; L605-F608 HydrophobicContact CB-CZ 4.01Å
606	V	95.9	Very high	93.1	Very high	25 Å²	25	36.2 Å²	36.2	15%	0.152	19%	0.185	C	C	.	.			trans	-132.7	159.8	176.7	-68.3	0	0	0	0	111.1	V527 Y587 N594 M596	V527-V606 HydrophobicContact CB-CG1 3.86Å; V527-V606 HydrophobicContact CG1-CG1 4.07Å; V527-V606 HydrophobicContact CG2-CG1 4.23Å; Y587-V606 PolarHBondContact OH-N 3.02Å; Y587-V606 PolarHBondContact OH-O 3.06Å; N594-V606 WeakPolarHBondContact O-CG2 3.22Å; N594-V606 PolarHBondContact O-N 3.27Å; N594-V606 VanDerWaalsContact O-N 3.17Å; M596-V606 HydrophobicContact CB-CG1 3.96Å; M596-V606 HydrophobicContact CB-CG2 4.3Å; M596-V606 HydrophobicContact CG-CB 4.32Å; M596-V606 HydrophobicContact CG-CG1 3.86Å; M596-V606 HydrophobicContact CG-CG2 3.52Å
607	D	91.7	Very high	91.8	Very high	74 Å²	74	36 Å²	36	40%	0.396	19%	0.19	S	C	.	.			trans	61.8	94.6	-176.6	-158.5	14.3	0	0	0	113.6	K495	K495-D607 IonicContact NZ-OD1 3.76Å; K495-D607 PolarHBondContact NZ-OD1 3.21Å
608	F	94.8	Very high	91	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.			trans	-101.1	17	-175.4	-84	-110.2	0	0	0	112.2	E514 I517 L518 V526 L580 Y587 L605 F610 A611	E514-F608 HydrophobicContact CB-CB 4.27Å; E514-F608 HydrophobicContact CG-CB 3.89Å; E514-F608 PolarHBondContact OE1-N 2.86Å; I517-F608 HydrophobicContact CG2-CD1 3.64Å; I517-F608 HydrophobicContact CG2-CE1 4.06Å; L518-F608 HydrophobicContact CD1-CB 4.37Å; L518-F608 HydrophobicContact CD2-CB 4.34Å; L518-F608 HydrophobicContact CD2-CD1 4.43Å; L518-F608 HydrophobicContact CD2-CD2 3.58Å; L518-F608 HydrophobicContact CD2-CE2 3.92Å; L518-F608 HydrophobicContact CD2-CG 3.86Å; L518-F608 HydrophobicContact CD2-CZ 4.5Å; L518-F608 HydrophobicContact CG-CB 4.14Å; L518-F608 HydrophobicContact CG-CD2 4.3Å; L518-F608 HydrophobicContact CG-CG 4.19Å; V526-F608 HydrophobicContact CB-CZ 4.49Å; V526-F608 HydrophobicContact CG1-CE1 4.38Å; V526-F608 HydrophobicContact CG1-CE2 3.82Å; V526-F608 HydrophobicContact CG1-CZ 3.51Å; V526-F608 HydrophobicContact CG2-CZ 4.24Å; L580-F608 HydrophobicContact CD1-CE1 3.79Å; L580-F608 HydrophobicContact CD1-CZ 4.04Å; L580-F608 HydrophobicContact CD2-CE1 3.83Å; L580-F608 HydrophobicContact CD2-CZ 4.41Å; L580-F608 HydrophobicContact CG-CE1 4.5Å; Y587-F608 HydrophobicContact CD2-CD1 4.16Å; Y587-F608 AromaticContact CD2-CE1 3.79Å; Y587-F608 HydrophobicContact CD2-CE1 3.79Å; Y587-F608 HydrophobicContact CD2-CE2 4.39Å; Y587-F608 AromaticContact CD2-CZ 3.92Å; Y587-F608 HydrophobicContact CD2-CZ 3.92Å; Y587-F608 HydrophobicContact CE2-CD1 4.24Å; Y587-F608 HydrophobicContact CE2-CD2 4.01Å; Y587-F608 AromaticContact CE2-CE1 3.93Å; Y587-F608 HydrophobicContact CE2-CE1 3.93Å; Y587-F608 AromaticContact CE2-CE2 3.69Å; Y587-F608 HydrophobicContact CE2-CE2 3.69Å; Y587-F608 HydrophobicContact CE2-CG 4.28Å; Y587-F608 AromaticContact CE2-CZ 3.64Å; Y587-F608 HydrophobicContact CE2-CZ 3.64Å; L605-F608 HydrophobicContact CB-CE2 3.98Å; L605-F608 HydrophobicContact CB-CZ 4.01Å; F608-F610 PolarHBondContact O-N 3.34Å; F608-A611 HydrophobicContact CB-CB 3.98Å; F608-A611 HydrophobicContact CD1-CB 3.54Å; F608-A611 HydrophobicContact CE1-CB 4.44Å; F608-A611 HydrophobicContact CG-CB 4.16Å; F608-A611 VanDerWaalsContact O-CB 3.28Å; F608-A611 WeakPolarHBondContact O-CB 3.29Å; F608-A611 PolarHBondContact O-N 3.38Å
609	G	90.3	Very high	90.6	Very high	12 Å²	12	41.9 Å²	41.9	12%	0.124	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-31.1	-178.7	0	0	0	0	0	114.7	H510	H510-G609 WeakPolarHBondContact CB-O 3.31Å
610	F	91.9	Very high	90.4	Very high	26 Å²	26	38.9 Å²	38.9	11%	0.114	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-2.8	174.3	-62.1	-7.7	0	0	0	113.6	V144 Y587 R588 D589 F608 C624	V144-F610 WeakPolarHBondContact O-CE2 3.23Å; V144-F610 WeakPolarHBondContact O-CZ 3.38Å; Y587-F610 CarbonylContact O-C 3.06Å; R588-F610 HydrophobicContact CB-CB 4.36Å; R588-F610 VanDerWaalsContact CZ-O 3.24Å; R588-F610 PolarHBondContact NE-O 3.05Å; R588-F610 PolarHBondContact NH2-O 3.34Å; D589-F610 HydrophobicContact CB-CB 4.4Å; D589-F610 HydrophobicContact CB-CD2 3.76Å; D589-F610 HydrophobicContact CB-CE2 4.44Å; D589-F610 HydrophobicContact CB-CG 4.45Å; F608-F610 PolarHBondContact O-N 3.34Å; F610-C624 HydrophobicContact CB-CB 4.5Å; F610-C624 HydrophobicContact CD1-CB 4.49Å; F610-C624 HydrophobicContact CD2-CB 3.94Å; F610-C624 HydrophobicContact CE2-CB 4.34Å; F610-C624 HydrophobicContact CG-CB 4.07Å
611	A	95.1	Very high	90.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	18%	0.183	C	C	.	.			trans	-69.5	137.2	179.6	0	0	0	0	0	110.9	S513 I517 V585 L586 F608	S513-A611 PolarHBondContact OG-O 2.97Å; I517-A611 HydrophobicContact CD1-CB 3.75Å; I517-A611 WeakPolarHBondContact CD1-O 3.29Å; V585-A611 HydrophobicContact CG1-CB 4.24Å; L586-A611 VanDerWaalsContact O-CA 3.22Å; L586-A611 WeakPolarHBondContact O-CA 3.37Å; L586-A611 WeakPolarHBondContact O-CB 3.13Å; F608-A611 HydrophobicContact CB-CB 3.98Å; F608-A611 HydrophobicContact CD1-CB 3.54Å; F608-A611 HydrophobicContact CE1-CB 4.44Å; F608-A611 HydrophobicContact CG-CB 4.16Å; F608-A611 VanDerWaalsContact O-CB 3.28Å; F608-A611 WeakPolarHBondContact O-CB 3.29Å; F608-A611 PolarHBondContact O-N 3.38Å
612	K	93.4	Very high	89.6	Confident	30 Å²	30	36.5 Å²	36.5	13%	0.13	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.3	-176.1	-169.3	163.6	-175.6	161.7	0	111	E509 V585 L586	E509-K612 IonicContact OE1-NZ 3.86Å; V585-K612 WeakPolarHBondContact CA-O 3.45Å; L586-K612 VanDerWaalsContact CD1-O 3.29Å; L586-K612 WeakPolarHBondContact CD1-O 3.15Å; L586-K612 PolarHBondContact N-O 2.83Å; L586-K612 PolarHBondContact O-N 3.35Å; L586-K612 VanDerWaalsContact O-N 3.09Å
613	K	92.3	Very high	89.2	Confident	94 Å²	94	36.4 Å²	36.4	41%	0.409	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.5	176.1	-156.4	174.4	-166.1	178.7	0	109.6	E520 G584 V585	E520-K613 IonicContact OE1-NZ 2.73Å; E520-K613 PolarHBondContact OE1-NZ 2.81Å; E520-K613 IonicContact OE2-NZ 2.92Å; E520-K613 PolarHBondContact OE2-NZ 2.82Å; G584-K613 CarbonylContact O-C 3.48Å; G584-K613 VanDerWaalsContact O-CA 3.31Å; G584-K613 WeakPolarHBondContact O-CA 3.34Å; V585-K613 HydrophobicContact CG2-CB 4.31Å; V585-K613 HydrophobicContact CG2-CG 4.02Å
614	I	88.7	Confident	88.8	Confident	19 Å²	19	36.4 Å²	36.4	10%	0.097	18%	0.182	C	C	.	.			trans	-118.4	161.8	175	63.8	165.7	0	0	0	110.5	G584 L586 Q618 N641 F642	G584-I614 PolarHBondContact O-N 2.84Å; L586-I614 HydrophobicContact CD1-CB 4.16Å; L586-I614 HydrophobicContact CD1-CD1 3.72Å; L586-I614 HydrophobicContact CD1-CG1 3.59Å; L586-I614 HydrophobicContact CD1-CG2 3.58Å; I614-Q618 WeakPolarHBondContact CD1-O 3.35Å; I614-N641 HydrophobicContact CD1-CB 4.17Å; I614-F642 HydrophobicContact CD1-CD2 4.49Å; I614-F642 HydrophobicContact CD1-CE1 4.02Å; I614-F642 HydrophobicContact CD1-CE2 3.88Å; I614-F642 HydrophobicContact CD1-CZ 3.6Å; I614-F642 HydrophobicContact CG1-CE1 3.86Å; I614-F642 HydrophobicContact CG1-CE2 4.22Å; I614-F642 HydrophobicContact CG1-CZ 3.48Å; I614-F642 VanDerWaalsContact CG1-CZ 3.48Å
615	R	79.6	Confident	88.5	Confident	188 Å²	188	36.3 Å²	36.3	71%	0.709	18%	0.182	S	C	*	.			trans	-85.1	161.6	169	-53.2	175.9	-179.3	175.5	-0.4	109.8	Q618	R615-Q618 HydrophobicContact CB-CG 4.04Å; R615-Q618 VanDerWaalsContact CB-OE1 3.29Å; R615-Q618 VanDerWaalsContact CG-OE1 3.3Å; R615-Q618 WeakPolarHBondContact O-CB 3.32Å; R615-Q618 PolarHBondContact O-N 2.76Å
616	S	72.7	Confident	88.2	Confident	92 Å²	92	36.2 Å²	36.2	64%	0.643	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	143.8	172.3	-152.2	0	0	0	0	110.8	D307 Q618	D307-S616 WeakPolarHBondContact CB-OG 3.18Å; S616-Q618 PolarHBondContact O-N 3.23Å; S616-Q618 VanDerWaalsContact O-N 3.14Å
617	G	70.8	Confident	88	Confident	23 Å²	23	35.4 Å²	35.4	24%	0.237	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-1.2	-176.3	0	0	0	0	0	116.2	R292	R292-G617 PolarHBondContact NH2-O 3Å
618	Q	80.3	Confident	88.1	Confident	95 Å²	95	33.7 Å²	33.7	44%	0.444	17%	0.167	S	C	.	.			trans	-93.1	160.5	176.2	-67.7	-167.4	-41.1	0	0	112.8	I614 R615 S616	I614-Q618 WeakPolarHBondContact CD1-O 3.35Å; R615-Q618 HydrophobicContact CB-CG 4.04Å; R615-Q618 VanDerWaalsContact CB-OE1 3.29Å; R615-Q618 VanDerWaalsContact CG-OE1 3.3Å; R615-Q618 WeakPolarHBondContact O-CB 3.32Å; R615-Q618 PolarHBondContact O-N 2.76Å; S616-Q618 PolarHBondContact O-N 3.23Å; S616-Q618 VanDerWaalsContact O-N 3.14Å
619	K	86.9	Confident	88.3	Confident	40 Å²	40	34.2 Å²	34.2	17%	0.174	17%	0.169	C	C	.	.			trans	-122	169.8	171.6	-65.2	-175.8	178.7	-166.3	0	110.5	D314 W621 H640	D314-K619 VanDerWaalsContact OD1-CE 3.28Å; D314-K619 WeakPolarHBondContact OD1-CE 3.34Å; D314-K619 IonicContact OD1-NZ 3.77Å; D314-K619 PolarHBondContact OD1-NZ 2.56Å; D314-K619 WeakPolarHBondContact OD2-CE 3.04Å; D314-K619 IonicContact OD2-NZ 3.69Å; D314-K619 PolarHBondContact OD2-NZ 3.16Å; K619-W621 HydrophobicContact CB-CH2 3.79Å; K619-W621 HydrophobicContact CB-CZ2 4.15Å; K619-W621 HydrophobicContact CB-CZ3 4.08Å; K619-W621 WeakPolarHBondContact O-CZ3 3.21Å; K619-H640 CarbonylContact C-O 3.43Å; K619-H640 VanDerWaalsContact CA-O 3.27Å; K619-H640 WeakPolarHBondContact CA-O 3.43Å
620	T	88.7	Confident	88.5	Confident	6 Å²	6	33.8 Å²	33.8	4%	0.037	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-130.8	155.9	168.1	-168.9	0	0	0	0	110.9	G639 H640	T620-G639 CarbonylContact O-C 3.46Å; T620-G639 WeakPolarHBondContact O-CA 3.28Å; T620-H640 PolarHBondContact N-O 3.26Å; T620-H640 PolarHBondContact O-CE1 3.39Å; T620-H640 PolarHBondContact O-N 3.15Å; T620-H640 PolarHBondContact O-ND1 3.4Å
621	W	88.1	Confident	88.8	Confident	29 Å²	29	32.6 Å²	32.6	11%	0.11	16%	0.159	C	C	.	.			trans	-121.8	-1.3	-173.1	-70.9	-99.4	0	0	0	114	R281 A284 E285 K619 F623 N637	R281-W621 HydrophobicContact CB-CD2 4.32Å; R281-W621 HydrophobicContact CB-CG 4.13Å; R281-W621 HydrophobicContact CG-CD2 4.04Å; R281-W621 HydrophobicContact CG-CE3 4.25Å; R281-W621 HydrophobicContact CG-CG 4.34Å; A284-W621 HydrophobicContact CB-CZ2 4.39Å; E285-W621 HydrophobicContact CG-CH2 3.48Å; E285-W621 VanDerWaalsContact CG-CH2 3.48Å; E285-W621 HydrophobicContact CG-CZ2 3.65Å; E285-W621 HydrophobicContact CG-CZ3 4.22Å; E285-W621 WeakPolarHBondContact OE1-CZ3 3.1Å; K619-W621 HydrophobicContact CB-CH2 3.79Å; K619-W621 HydrophobicContact CB-CZ2 4.15Å; K619-W621 HydrophobicContact CB-CZ3 4.08Å; K619-W621 WeakPolarHBondContact O-CZ3 3.21Å; W621-F623 PolarHBondContact O-N 2.87Å; W621-N637 PolarHBondContact O-OD1 3.24Å
622	T	86.4	Confident	88.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.			trans	-67.7	105.8	173.3	-67.3	0	0	0	0	109.2	A146 E147 T149 R588 C624 H640	A146-T622 HydrophobicContact CB-CG2 4.33Å; E147-T622 PolarHBondContact O-OG1 3Å; T149-T622 PolarHBondContact N-OG1 3.3Å; T149-T622 PolarHBondContact OG1-OG1 3.41Å; R588-T622 PolarHBondContact NH1-O 2.86Å; R588-T622 VanDerWaalsContact NH1-O 3.07Å; T622-C624 PolarHBondContact O-N 2.98Å; T622-H640 PolarHBondContact O-CE1 2.78Å
623	F	89.2	Confident	88.8	Confident	5 Å²	5	31.9 Å²	31.9	2%	0.022	16%	0.157	C	C	.	.			trans	-57	120.6	170.4	-173.1	-67.1	0	0	0	109	V144 S145 A146 L251 Y252 W621 V630 I634 I635 Y672	V144-F623 HydrophobicContact CG2-CE1 4.02Å; S145-F623 CarbonylContact C-O 3.58Å; S145-F623 WeakPolarHBondContact CA-O 3.45Å; A146-F623 HydrophobicContact CB-CB 4.34Å; A146-F623 PolarHBondContact N-O 2.92Å; L251-F623 HydrophobicContact CB-CD2 3.93Å; L251-F623 HydrophobicContact CB-CE2 3.91Å; L251-F623 HydrophobicContact CB-CG 4.42Å; L251-F623 HydrophobicContact CB-CZ 4.41Å; L251-F623 HydrophobicContact CD1-CE2 4.03Å; L251-F623 HydrophobicContact CD1-CZ 4.48Å; L251-F623 HydrophobicContact CG-CE2 4.42Å; L251-F623 WeakPolarHBondContact O-CB 3.31Å; Y252-F623 AromaticContact CD1-CD1 3.57Å; Y252-F623 HydrophobicContact CD1-CD1 3.57Å; Y252-F623 AromaticContact CD1-CE1 3.25Å; Y252-F623 HydrophobicContact CD1-CE1 3.25Å; Y252-F623 HydrophobicContact CD1-CE2 4.43Å; Y252-F623 HydrophobicContact CD1-CG 4.33Å; Y252-F623 AromaticContact CD1-CZ 3.74Å; Y252-F623 HydrophobicContact CD1-CZ 3.74Å; Y252-F623 HydrophobicContact CE1-CD1 4.5Å; Y252-F623 AromaticContact CE1-CE1 3.76Å; Y252-F623 HydrophobicContact CE1-CE1 3.76Å; Y252-F623 HydrophobicContact CE1-CZ 4.01Å; Y252-F623 AromaticContact CG-CD1 3.94Å; Y252-F623 HydrophobicContact CG-CD1 3.94Å; Y252-F623 AromaticContact CG-CE1 3.99Å; Y252-F623 HydrophobicContact CG-CE1 3.99Å; W621-F623 PolarHBondContact O-N 2.87Å; F623-V630 HydrophobicContact CZ-CG1 4.37Å; F623-I634 HydrophobicContact CB-CG2 4.33Å; F623-I634 HydrophobicContact CD2-CG2 3.91Å; F623-I634 HydrophobicContact CE2-CG2 4.38Å; F623-I634 HydrophobicContact CG-CG2 4Å; F623-I635 HydrophobicContact CE2-CG1 4.41Å; F623-Y672 HydrophobicContact CZ-CE1 4.28Å; F623-Y672 HydrophobicContact CZ-CE2 4.26Å; F623-Y672 AromaticContact CZ-CZ 3.82Å
624	C	90.3	Very high	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	171.2	172.9	69.7	0	0	0	0	111.5	V144 S145 R588 F610 T622	V144-C624 CarbonylContact O-C 3.5Å; V144-C624 WeakPolarHBondContact O-CA 3.37Å; S145-C624 WeakPolarHBondContact OG-CB 3.31Å; R588-C624 PolarHBondContact NE-SG 3.01Å; R588-C624 PolarHBondContact NH1-SG 3.41Å; F610-C624 HydrophobicContact CB-CB 4.5Å; F610-C624 HydrophobicContact CD1-CB 4.49Å; F610-C624 HydrophobicContact CD2-CB 3.94Å; F610-C624 HydrophobicContact CE2-CB 4.34Å; F610-C624 HydrophobicContact CG-CB 4.07Å; T622-C624 PolarHBondContact O-N 2.98Å
625	G	92	Very high	88.9	Confident	2 Å²	2	26.8 Å²	26.8	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114	173.7	179.8	0	0	0	0	0	112.2	V144 R588	V144-G625 VanDerWaalsContact CG2-O 3.25Å; V144-G625 WeakPolarHBondContact CG2-O 3.5Å; V144-G625 PolarHBondContact N-O 3.16Å; V144-G625 PolarHBondContact O-N 3.49Å; R588-G625 WeakPolarHBondContact O-CA 3.32Å
626	T	92.2	Very high	89.2	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.			trans	-82.6	127.1	179	-63.3	0	0	0	0	110.5	K141 G143 D589 K591 E628 Y629 V630	K141-T626 HydrophobicContact CB-CG2 3.4Å; K141-T626 HydrophobicContact CD-CG2 4.11Å; K141-T626 HydrophobicContact CG-CG2 4.38Å; G143-T626 WeakPolarHBondContact CA-OG1 3.37Å; D589-T626 WeakPolarHBondContact OD1-CB 3.32Å; D589-T626 PolarHBondContact OD1-N 3.29Å; D589-T626 PolarHBondContact OD1-OG1 3.4Å; K591-T626 HydrophobicContact CD-CG2 4.12Å; K591-T626 WeakPolarHBondContact CD-OG1 3.25Å; K591-T626 WeakPolarHBondContact CE-OG1 3.44Å; K591-T626 PolarHBondContact NZ-OG1 2.97Å; T626-E628 VanDerWaalsContact C-N 3.32Å; T626-E628 PolarHBondContact O-N 2.93Å; T626-Y629 HydrophobicContact CG2-CD2 4.27Å; T626-Y629 WeakPolarHBondContact O-CA 3.49Å; T626-Y629 WeakPolarHBondContact O-CB 3.49Å; T626-Y629 PolarHBondContact O-N 3.2Å; T626-V630 WeakPolarHBondContact O-CG2 3.49Å; T626-V630 PolarHBondContact O-N 2.96Å
627	P	91.6	Very high	89.7	Confident	7 Å²	7	15.3 Å²	15.3	5%	0.045	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-39.5	-162	-32.9	36.9	0	0	0	117.3	V144 Y629 Q668 Y672 I675	V144-P627 HydrophobicContact CG2-CG 4.42Å; P627-Y629 VanDerWaalsContact C-N 3.27Å; P627-Y629 PolarHBondContact O-N 3.12Å; P627-Q668 HydrophobicContact CG-CG 4.43Å; P627-Y672 HydrophobicContact CB-CE1 3.92Å; P627-I675 VanDerWaalsContact O-CD1 3.32Å; P627-I675 WeakPolarHBondContact O-CD1 3.38Å
628	E	95	Very high	90.3	Very high	39 Å²	39	19.6 Å²	19.6	18%	0.182	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-18.1	-179.4	-56.6	82.4	175.4	0	0	113.2	T626 P661 T671	T626-E628 VanDerWaalsContact C-N 3.32Å; T626-E628 PolarHBondContact O-N 2.93Å; E628-P661 HydrophobicContact CB-CB 3.86Å; E628-P661 HydrophobicContact CB-CG 3.78Å; E628-P661 HydrophobicContact CG-CB 4.46Å; E628-P661 HydrophobicContact CG-CG 3.84Å; E628-T671 HydrophobicContact CG-CG2 4.15Å
629	Y	97.8	Very high	90.6	Very high	10 Å²	10	15.1 Å²	15.1	4%	0.039	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-11.3	179.5	-75.2	-95.4	0	0	0	113.6	K141 L590 K591 P592 T626 P627 A648 I651 L652 E655	K141-Y629 HydrophobicContact CD-CE2 4.42Å; L590-Y629 WeakPolarHBondContact O-CD1 3.46Å; L590-Y629 WeakPolarHBondContact O-CE1 3.39Å; L590-Y629 VanDerWaalsContact O-CG 3.26Å; K591-Y629 HydrophobicContact CB-CD2 4.2Å; K591-Y629 HydrophobicContact CB-CE1 4.49Å; K591-Y629 HydrophobicContact CB-CE2 3.94Å; P592-Y629 WeakPolarHBondContact CD-OH 3.38Å; T626-Y629 HydrophobicContact CG2-CD2 4.27Å; T626-Y629 WeakPolarHBondContact O-CA 3.49Å; T626-Y629 WeakPolarHBondContact O-CB 3.49Å; T626-Y629 PolarHBondContact O-N 3.2Å; P627-Y629 VanDerWaalsContact C-N 3.27Å; P627-Y629 PolarHBondContact O-N 3.12Å; Y629-A648 HydrophobicContact CD1-CB 4.14Å; Y629-I651 HydrophobicContact CD1-CB 3.6Å; Y629-I651 HydrophobicContact CD1-CG1 4.44Å; Y629-I651 HydrophobicContact CD1-CG2 3.38Å; Y629-I651 HydrophobicContact CD2-CG2 4.02Å; Y629-I651 HydrophobicContact CE1-CB 3.69Å; Y629-I651 HydrophobicContact CE1-CG2 3.35Å; Y629-I651 HydrophobicContact CE2-CG2 3.97Å; Y629-I651 HydrophobicContact CG-CB 4.31Å; Y629-I651 HydrophobicContact CG-CG2 3.73Å; Y629-L652 HydrophobicContact CE1-CB 4.14Å; Y629-E655 PolarHBondContact OH-OE2 3.36Å
630	V	96.4	Very high	90.8	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.018	6%	0.063	C	C	.	.			trans	-65	133.7	-179.2	-178.6	0	0	0	0	110.7	F623 T626 I634 I635 W647	F623-V630 HydrophobicContact CZ-CG1 4.37Å; T626-V630 WeakPolarHBondContact O-CG2 3.49Å; T626-V630 PolarHBondContact O-N 2.96Å; V630-I634 HydrophobicContact CG1-CB 3.6Å; V630-I634 HydrophobicContact CG1-CD1 4.02Å; V630-I634 HydrophobicContact CG1-CG1 4.34Å; V630-I634 HydrophobicContact CG1-CG2 3.72Å; V630-I635 HydrophobicContact CB-CG1 4.49Å; V630-I635 HydrophobicContact CG1-CD1 4.31Å; V630-I635 HydrophobicContact CG1-CG1 3.73Å; V630-W647 PolarHBondContact O-NE1 2.93Å
631	A	96.9	Very high	91	Very high	1 Å²	1	14 Å²	14	1%	0.008	7%	0.067	C	C	.	.			trans	-79.9	151.4	179.4	0	0	0	0	0	112.9	E633 I634 I635 V644 W647	A631-E633 VanDerWaalsContact C-N 3.27Å; A631-E633 VanDerWaalsContact CB-OE2 3.25Å; A631-E633 WeakPolarHBondContact CB-OE2 3.36Å; A631-E633 PolarHBondContact O-N 3.06Å; A631-E633 VanDerWaalsContact O-N 3.13Å; A631-I634 HydrophobicContact CB-CD1 4.33Å; A631-I634 HydrophobicContact CB-CG1 4.39Å; A631-I634 WeakPolarHBondContact O-CB 3.44Å; A631-I634 PolarHBondContact O-N 3.29Å; A631-I635 PolarHBondContact O-N 2.95Å; A631-V644 HydrophobicContact CB-CB 4.11Å; A631-V644 HydrophobicContact CB-CG1 3.91Å; A631-W647 HydrophobicContact CB-CB 3.94Å; A631-W647 HydrophobicContact CB-CD2 4.18Å; A631-W647 HydrophobicContact CB-CG 3.68Å
632	P	95	Very high	91.2	Very high	7 Å²	7	14.5 Å²	14.5	5%	0.045	7%	0.07	C	C	.	.	H	α-helix	trans	-52.8	-36.4	-176.3	-28.6	34.6	0	0	0	115.3	I635 L636 W647 I675 L676	P632-I635 PolarHBondContact O-N 2.64Å; P632-L636 WeakPolarHBondContact O-CB 3.31Å; P632-L636 WeakPolarHBondContact O-CG 3.17Å; P632-L636 PolarHBondContact O-N 3.28Å; P632-W647 HydrophobicContact CG-CE3 4.15Å; P632-W647 HydrophobicContact CG-CH2 3.57Å; P632-W647 HydrophobicContact CG-CZ2 4.05Å; P632-W647 HydrophobicContact CG-CZ3 3.61Å; P632-I675 HydrophobicContact CB-CG2 4.44Å; P632-I675 HydrophobicContact CG-CG2 3.82Å; P632-L676 HydrophobicContact CB-CD2 4.21Å
633	E	93.2	Very high	91.6	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.047	7%	0.07	C	C	.	.	H	α-helix	trans	-73.6	-25.5	-179.3	71	-86.2	-147.9	0	0	113.7	A631 N637 K638 H640 S643 V644 P704 R707	A631-E633 VanDerWaalsContact C-N 3.27Å; A631-E633 VanDerWaalsContact CB-OE2 3.25Å; A631-E633 WeakPolarHBondContact CB-OE2 3.36Å; A631-E633 PolarHBondContact O-N 3.06Å; A631-E633 VanDerWaalsContact O-N 3.13Å; E633-N637 WeakPolarHBondContact O-CA 3.43Å; E633-N637 PolarHBondContact O-N 3Å; E633-N637 VanDerWaalsContact O-N 3.08Å; E633-K638 HydrophobicContact CB-CB 4.4Å; E633-K638 PolarHBondContact O-N 3.26Å; E633-H640 HydrophobicContact CG-CB 4.01Å; E633-S643 PolarHBondContact OE1-OG 2.95Å; E633-V644 HydrophobicContact CG-CG1 4.4Å; E633-V644 VanDerWaalsContact OE1-CG1 3.32Å; E633-V644 WeakPolarHBondContact OE1-CG1 3.28Å; E633-P704 HydrophobicContact CB-CG 4.09Å; E633-P704 HydrophobicContact CG-CG 3.93Å; E633-R707 IonicContact OE1-CZ 3.65Å; E633-R707 IonicContact OE1-NH1 2.76Å; E633-R707 PolarHBondContact OE1-NH1 2.88Å; E633-R707 IonicContact OE1-NH2 3.17Å; E633-R707 PolarHBondContact OE1-NH2 2.73Å; E633-R707 IonicContact OE2-CZ 2.77Å; E633-R707 IonicContact OE2-NH1 3.84Å; E633-R707 PolarHBondContact OE2-NH1 2.93Å; E633-R707 IonicContact OE2-NH2 3.38Å; E633-R707 PolarHBondContact OE2-NH2 3.25Å
634	I	93.1	Very high	92	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.031	7%	0.07	C	C	.	.	H	α-helix	trans	-70	-45.5	170.5	-54.9	177	0	0	0	108.5	F623 V630 A631 N637 H640 V644	F623-I634 HydrophobicContact CB-CG2 4.33Å; F623-I634 HydrophobicContact CD2-CG2 3.91Å; F623-I634 HydrophobicContact CE2-CG2 4.38Å; F623-I634 HydrophobicContact CG-CG2 4Å; V630-I634 HydrophobicContact CG1-CB 3.6Å; V630-I634 HydrophobicContact CG1-CD1 4.02Å; V630-I634 HydrophobicContact CG1-CG1 4.34Å; V630-I634 HydrophobicContact CG1-CG2 3.72Å; A631-I634 HydrophobicContact CB-CD1 4.33Å; A631-I634 HydrophobicContact CB-CG1 4.39Å; A631-I634 WeakPolarHBondContact O-CB 3.44Å; A631-I634 PolarHBondContact O-N 3.29Å; I634-N637 PolarHBondContact O-N 3.43Å; I634-N637 VanDerWaalsContact O-N 3.08Å; I634-H640 HydrophobicContact CG1-CB 4.13Å; I634-V644 HydrophobicContact CD1-CB 4.06Å; I634-V644 HydrophobicContact CD1-CG1 3.79Å; I634-V644 HydrophobicContact CG1-CG1 3.87Å
635	I	89.9	Confident	92.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.7	-48.2	178.2	-60.6	166.8	0	0	0	110.5	Y182 F623 V630 A631 P632 N637 Y672 I675 L676	Y182-I635 HydrophobicContact CD2-CG2 4.23Å; Y182-I635 HydrophobicContact CE2-CG2 3.92Å; Y182-I635 WeakPolarHBondContact CE2-O 3.25Å; Y182-I635 VanDerWaalsContact CZ-O 3.29Å; Y182-I635 PolarHBondContact OH-O 3.08Å; F623-I635 HydrophobicContact CE2-CG1 4.41Å; V630-I635 HydrophobicContact CB-CG1 4.49Å; V630-I635 HydrophobicContact CG1-CD1 4.31Å; V630-I635 HydrophobicContact CG1-CG1 3.73Å; A631-I635 PolarHBondContact O-N 2.95Å; P632-I635 PolarHBondContact O-N 2.64Å; I635-N637 PolarHBondContact O-N 3.07Å; I635-Y672 HydrophobicContact CD1-CD1 3.58Å; I635-Y672 HydrophobicContact CD1-CE1 4.41Å; I635-Y672 HydrophobicContact CD1-CG 4.04Å; I635-Y672 HydrophobicContact CG1-CD1 4Å; I635-Y672 HydrophobicContact CG1-CE1 4.49Å; I635-Y672 HydrophobicContact CG1-CG 4.35Å; I635-Y672 HydrophobicContact CG2-CG 4.4Å; I635-I675 HydrophobicContact CD1-CB 3.92Å; I635-I675 HydrophobicContact CD1-CD1 4.05Å; I635-I675 HydrophobicContact CD1-CG2 3.51Å; I635-L676 HydrophobicContact CB-CD2 4.34Å; I635-L676 HydrophobicContact CG2-CD1 3.85Å; I635-L676 HydrophobicContact CG2-CD2 4.19Å; I635-L676 HydrophobicContact CG2-CG 4.17Å
636	L	85.9	Confident	92.7	Very high	29 Å²	29	14.7 Å²	14.7	15%	0.152	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	2.3	176.4	-63	174.5	0	0	0	113.9	Y182 R185 P632 K638 L676	Y182-L636 HydrophobicContact CE2-CD2 4.3Å; R185-L636 HydrophobicContact CB-CD2 3.83Å; P632-L636 WeakPolarHBondContact O-CB 3.31Å; P632-L636 WeakPolarHBondContact O-CG 3.17Å; P632-L636 PolarHBondContact O-N 3.28Å; L636-K638 HydrophobicContact CB-CD 4.5Å; L636-K638 HydrophobicContact CB-CG 4Å; L636-K638 PolarHBondContact O-N 3.33Å; L636-K638 VanDerWaalsContact O-N 3.09Å; L636-L676 HydrophobicContact CD1-CD2 4Å; L636-L676 HydrophobicContact CD2-CD1 4.34Å; L636-L676 HydrophobicContact CD2-CD2 3.92Å; L636-L676 HydrophobicContact CG-CD2 3.69Å
637	N	83.8	Confident	93	Very high	9 Å²	9	14.7 Å²	14.7	5%	0.048	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	35.6	-178.6	-157.9	7.6	0	0	0	114.6	M280 W621 E633 I634 I635 G639	M280-N637 HydrophobicContact CB-CB 4.06Å; M280-N637 WeakPolarHBondContact CB-ND2 3.38Å; M280-N637 HydrophobicContact CG-CB 4.13Å; W621-N637 PolarHBondContact O-OD1 3.24Å; E633-N637 WeakPolarHBondContact O-CA 3.43Å; E633-N637 PolarHBondContact O-N 3Å; E633-N637 VanDerWaalsContact O-N 3.08Å; I634-N637 PolarHBondContact O-N 3.43Å; I634-N637 VanDerWaalsContact O-N 3.08Å; I635-N637 PolarHBondContact O-N 3.07Å; N637-G639 PolarHBondContact O-N 2.92Å
638	K	83.5	Confident	93.4	Very high	113 Å²	113	14.7 Å²	14.7	49%	0.491	7%	0.071	S	C	.	.	S	Bend	trans	-77.5	4.5	180	-68.9	-165.9	171.5	-163.9	0	113.7	E633 L636	E633-K638 HydrophobicContact CB-CB 4.4Å; E633-K638 PolarHBondContact O-N 3.26Å; L636-K638 HydrophobicContact CB-CD 4.5Å; L636-K638 HydrophobicContact CB-CG 4Å; L636-K638 PolarHBondContact O-N 3.33Å; L636-K638 VanDerWaalsContact O-N 3.09Å
639	G	86.9	Confident	93.5	Very high	2 Å²	2	12.8 Å²	12.8	2%	0.021	6%	0.062	C	C	.	.			trans	75.1	142.7	-167.7	0	0	0	0	0	111.8	T620 N637	T620-G639 CarbonylContact O-C 3.46Å; T620-G639 WeakPolarHBondContact O-CA 3.28Å; N637-G639 PolarHBondContact O-N 2.92Å
640	H	91.7	Very high	93.6	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-130.9	154.2	-175.9	54.7	-82.2	0	0	0	114.1	R588 K619 T620 T622 E633 I634 V644	R588-H640 WeakPolarHBondContact CD-NE2 2.91Å; R588-H640 PolarHBondContact NH1-NE2 3.37Å; K619-H640 CarbonylContact C-O 3.43Å; K619-H640 VanDerWaalsContact CA-O 3.27Å; K619-H640 WeakPolarHBondContact CA-O 3.43Å; T620-H640 PolarHBondContact N-O 3.26Å; T620-H640 PolarHBondContact O-CE1 3.39Å; T620-H640 PolarHBondContact O-N 3.15Å; T620-H640 PolarHBondContact O-ND1 3.4Å; T622-H640 PolarHBondContact O-CE1 2.78Å; E633-H640 HydrophobicContact CG-CB 4.01Å; I634-H640 HydrophobicContact CG1-CB 4.13Å; H640-V644 HydrophobicContact CB-CG1 3.55Å
641	N	91.6	Very high	93.7	Very high	21 Å²	21	12.2 Å²	12.2	11%	0.112	6%	0.059	C	C	.	.			trans	-129.8	-163.7	175	66.1	43.3	0	0	0	109.5	L586 I614 S643 V644	L586-N641 VanDerWaalsContact CD2-C 3.42Å; L586-N641 VanDerWaalsContact CD2-O 3.31Å; L586-N641 WeakPolarHBondContact CD2-O 3.43Å; I614-N641 HydrophobicContact CD1-CB 4.17Å; N641-S643 PolarHBondContact O-N 3.18Å; N641-S643 WeakPolarHBondContact OD1-CB 3.08Å; N641-S643 PolarHBondContact OD1-N 3.42Å; N641-S643 PolarHBondContact OD1-OG 3.38Å; N641-V644 WeakPolarHBondContact O-CG2 3.22Å; N641-V644 PolarHBondContact O-N 2.88Å
642	F	93	Very high	93.8	Very high	39 Å²	39	12.1 Å²	12.1	17%	0.171	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-20.8	-177.4	-49.6	-65.2	0	0	0	115.3	H581 L586 I614 V644 D645	H581-F642 HydrophobicContact CB-CD1 4.23Å; H581-F642 HydrophobicContact CB-CG 4.36Å; H581-F642 AromaticContact CD2-CD1 3.61Å; H581-F642 AromaticContact CG-CD1 3.95Å; L586-F642 HydrophobicContact CD1-CD1 4.37Å; L586-F642 HydrophobicContact CD1-CE1 4.13Å; L586-F642 HydrophobicContact CG-CD1 3.88Å; L586-F642 HydrophobicContact CG-CE1 4.15Å; I614-F642 HydrophobicContact CD1-CD2 4.49Å; I614-F642 HydrophobicContact CD1-CE1 4.02Å; I614-F642 HydrophobicContact CD1-CE2 3.88Å; I614-F642 HydrophobicContact CD1-CZ 3.6Å; I614-F642 HydrophobicContact CG1-CE1 3.86Å; I614-F642 HydrophobicContact CG1-CE2 4.22Å; I614-F642 HydrophobicContact CG1-CZ 3.48Å; I614-F642 VanDerWaalsContact CG1-CZ 3.48Å; F642-V644 PolarHBondContact O-N 2.9Å; F642-V644 VanDerWaalsContact O-N 3.08Å; F642-D645 PolarHBondContact O-N 2.98Å; F642-D645 VanDerWaalsContact O-N 3.11Å
643	S	94.9	Very high	94	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	6%	0.057	C	C	.	.	H	α-helix	trans	-55	-21.7	176.7	61	0	0	0	0	115.6	E633 N641 W647 P704 R707	E633-S643 PolarHBondContact OE1-OG 2.95Å; N641-S643 PolarHBondContact O-N 3.18Å; N641-S643 WeakPolarHBondContact OD1-CB 3.08Å; N641-S643 PolarHBondContact OD1-N 3.42Å; N641-S643 PolarHBondContact OD1-OG 3.38Å; S643-W647 PolarHBondContact O-N 2.93Å; S643-P704 WeakPolarHBondContact OG-CB 3.15Å; S643-R707 WeakPolarHBondContact O-CD 3.45Å; S643-R707 PolarHBondContact O-NH1 2.89Å
644	V	97.7	Very high	94.2	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.024	6%	0.056	C	C	.	.	H	α-helix	trans	-73.4	-32	178.4	-57.2	0	0	0	0	112.4	L586 R588 A631 E633 I634 H640 N641 F642 F646 W647 A648	L586-V644 HydrophobicContact CD2-CG2 4.19Å; R588-V644 HydrophobicContact CG-CG2 4.17Å; A631-V644 HydrophobicContact CB-CB 4.11Å; A631-V644 HydrophobicContact CB-CG1 3.91Å; E633-V644 HydrophobicContact CG-CG1 4.4Å; E633-V644 VanDerWaalsContact OE1-CG1 3.32Å; E633-V644 WeakPolarHBondContact OE1-CG1 3.28Å; I634-V644 HydrophobicContact CD1-CB 4.06Å; I634-V644 HydrophobicContact CD1-CG1 3.79Å; I634-V644 HydrophobicContact CG1-CG1 3.87Å; H640-V644 HydrophobicContact CB-CG1 3.55Å; N641-V644 WeakPolarHBondContact O-CG2 3.22Å; N641-V644 PolarHBondContact O-N 2.88Å; F642-V644 PolarHBondContact O-N 2.9Å; F642-V644 VanDerWaalsContact O-N 3.08Å; V644-F646 VanDerWaalsContact C-N 3.32Å; V644-W647 WeakPolarHBondContact O-CB 3.42Å; V644-W647 PolarHBondContact O-N 3Å; V644-A648 PolarHBondContact O-N 2.8Å
645	D	98.4	Very high	94.5	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-69.9	-35.1	178.8	-67.3	-29.8	0	0	0	109.9	F577 H581 L586 Y587 R588 F642 A648 L649	F577-D645 HydrophobicContact CD2-CB 4.15Å; F577-D645 HydrophobicContact CE1-CB 4.16Å; F577-D645 HydrophobicContact CE2-CB 3.74Å; F577-D645 VanDerWaalsContact CE2-O 3.27Å; F577-D645 WeakPolarHBondContact CE2-O 3.21Å; F577-D645 HydrophobicContact CZ-CB 3.72Å; H581-D645 IonicContact CD2-OD2 2.93Å; H581-D645 IonicContact CE1-OD2 2.92Å; H581-D645 IonicContact NE2-OD2 3.65Å; H581-D645 PolarHBondContact NE2-OD2 2.92Å; L586-D645 WeakPolarHBondContact CA-OD2 3.38Å; Y587-D645 PolarHBondContact N-OD1 2.74Å; Y587-D645 PolarHBondContact N-OD2 2.73Å; R588-D645 PolarHBondContact N-OD1 2.93Å; F642-D645 PolarHBondContact O-N 2.98Å; F642-D645 VanDerWaalsContact O-N 3.11Å; D645-A648 PolarHBondContact O-N 2.7Å; D645-L649 PolarHBondContact O-N 2.84Å
646	F	98.5	Very high	94.9	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.022	6%	0.056	C	C	.	.	H	α-helix	trans	-69.7	-37.5	173.1	-55.3	-47	0	0	0	113.2	H581 V644 L649 G650 L699 G709 N710 I715 I718	H581-F646 AromaticContact CE1-CE1 3.63Å; H581-F646 AromaticContact CE1-CE2 3.99Å; H581-F646 AromaticContact CE1-CZ 3.42Å; H581-F646 VanDerWaalsContact CE1-CZ 3.42Å; H581-F646 WeakPolarHBondContact CE1-CZ 3.44Å; H581-F646 AromaticContact ND1-CE1 3.74Å; H581-F646 AromaticContact ND1-CE2 3.97Å; H581-F646 AromaticContact ND1-CZ 3.22Å; H581-F646 WeakPolarHBondContact ND1-CZ 3.39Å; V644-F646 VanDerWaalsContact C-N 3.32Å; F646-L649 WeakPolarHBondContact O-CB 3.13Å; F646-L649 PolarHBondContact O-N 2.85Å; F646-G650 PolarHBondContact O-N 3.24Å; F646-L699 HydrophobicContact CB-CD2 4.15Å; F646-G709 WeakPolarHBondContact CE2-O 3.09Å; F646-G709 WeakPolarHBondContact CZ-O 3.42Å; F646-N710 HydrophobicContact CD2-CB 4.31Å; F646-N710 HydrophobicContact CE2-CB 4.44Å; F646-I715 HydrophobicContact CE1-CB 4.31Å; F646-I715 HydrophobicContact CE1-CD1 3.89Å; F646-I715 HydrophobicContact CE1-CG1 4.01Å; F646-I715 HydrophobicContact CZ-CB 4.35Å; F646-I718 HydrophobicContact CD1-CD1 3.54Å; F646-I718 HydrophobicContact CE1-CD1 3.94Å; F646-I718 HydrophobicContact CG-CD1 4.19Å
647	W	98.7	Very high	95.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-57.2	-52.5	169.5	170.7	-82.9	0	0	0	110.2	V630 A631 P632 S643 V644 L649 G650 I651 F663 I675 C700	V630-W647 PolarHBondContact O-NE1 2.93Å; A631-W647 HydrophobicContact CB-CB 3.94Å; A631-W647 HydrophobicContact CB-CD2 4.18Å; A631-W647 HydrophobicContact CB-CG 3.68Å; P632-W647 HydrophobicContact CG-CE3 4.15Å; P632-W647 HydrophobicContact CG-CH2 3.57Å; P632-W647 HydrophobicContact CG-CZ2 4.05Å; P632-W647 HydrophobicContact CG-CZ3 3.61Å; S643-W647 PolarHBondContact O-N 2.93Å; V644-W647 WeakPolarHBondContact O-CB 3.42Å; V644-W647 PolarHBondContact O-N 3Å; W647-L649 PolarHBondContact O-N 3.42Å; W647-G650 WeakPolarHBondContact O-CA 3.43Å; W647-G650 PolarHBondContact O-N 2.93Å; W647-I651 HydrophobicContact CZ2-CD1 4.25Å; W647-I651 WeakPolarHBondContact O-CG1 3.37Å; W647-I651 PolarHBondContact O-N 2.94Å; W647-I651 VanDerWaalsContact O-N 3.13Å; W647-F663 AromaticContact CH2-CE2 3.91Å; W647-F663 HydrophobicContact CH2-CE2 3.91Å; W647-F663 HydrophobicContact CH2-CZ 4.28Å; W647-F663 HydrophobicContact CZ2-CD2 4.16Å; W647-F663 AromaticContact CZ2-CE2 3.51Å; W647-F663 HydrophobicContact CZ2-CE2 3.51Å; W647-F663 HydrophobicContact CZ2-CZ 4.31Å; W647-I675 HydrophobicContact CH2-CG2 4.29Å; W647-I675 HydrophobicContact CZ2-CG2 3.77Å; W647-C700 HydrophobicContact CD2-CB 4.43Å; W647-C700 HydrophobicContact CE3-CB 3.95Å; W647-C700 HydrophobicContact CH2-CB 4.26Å; W647-C700 HydrophobicContact CZ3-CB 3.87Å; W647-C700 VanDerWaalsContact CZ3-O 3.22Å; W647-C700 WeakPolarHBondContact CZ3-O 3.25Å
648	A	98.7	Very high	96.1	Very high	6 Å²	6	12 Å²	12	5%	0.05	6%	0.059	C	C	.	.	H	α-helix	trans	-60.8	-28.9	178.8	0	0	0	0	0	113	L590 Y629 V644 D645 G650 I651 L652	L590-A648 HydrophobicContact CB-CB 3.96Å; L590-A648 HydrophobicContact CD2-CB 4.26Å; Y629-A648 HydrophobicContact CD1-CB 4.14Å; V644-A648 PolarHBondContact O-N 2.8Å; D645-A648 PolarHBondContact O-N 2.7Å; A648-G650 VanDerWaalsContact C-N 3.35Å; A648-I651 PolarHBondContact O-N 3.09Å; A648-L652 WeakPolarHBondContact O-CB 3.37Å; A648-L652 PolarHBondContact O-N 3.17Å
649	L	98.8	Very high	96.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.6	-36.1	172.9	-165.1	67.4	0	0	0	112.4	V570 V573 F577 L590 D645 F646 W647 L652 L653 L699 I718	V570-L649 HydrophobicContact CG1-CD1 3.9Å; V570-L649 HydrophobicContact CG1-CD2 4.18Å; V570-L649 HydrophobicContact CG1-CG 3.99Å; V573-L649 HydrophobicContact CB-CD1 3.94Å; V573-L649 HydrophobicContact CG1-CD1 3.54Å; F577-L649 HydrophobicContact CE2-CB 4.31Å; F577-L649 HydrophobicContact CE2-CD1 4.22Å; L590-L649 HydrophobicContact CD2-CB 4.31Å; L590-L649 HydrophobicContact CD2-CD1 4.01Å; D645-L649 PolarHBondContact O-N 2.84Å; F646-L649 WeakPolarHBondContact O-CB 3.13Å; F646-L649 PolarHBondContact O-N 2.85Å; W647-L649 PolarHBondContact O-N 3.42Å; L649-L652 HydrophobicContact CD1-CD2 4.46Å; L649-L652 PolarHBondContact O-N 3.18Å; L649-L653 WeakPolarHBondContact O-CB 3.48Å; L649-L653 PolarHBondContact O-N 3.39Å; L649-L699 HydrophobicContact CB-CD1 4.37Å; L649-L699 HydrophobicContact CD2-CD1 4.41Å; L649-L699 HydrophobicContact CD2-CD2 4.38Å; L649-L699 HydrophobicContact CG-CD1 4.34Å; L649-I718 HydrophobicContact CD2-CD1 4.14Å; L649-I718 HydrophobicContact CD2-CG2 4.39Å
650	G	98.8	Very high	97	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-69.3	-41.1	173.6	0	0	0	0	0	112.4	F646 W647 A648 L653 F654	F646-G650 PolarHBondContact O-N 3.24Å; W647-G650 WeakPolarHBondContact O-CA 3.43Å; W647-G650 PolarHBondContact O-N 2.93Å; A648-G650 VanDerWaalsContact C-N 3.35Å; G650-L653 PolarHBondContact O-N 3.48Å; G650-F654 PolarHBondContact O-N 3.07Å
651	I	98.7	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-59.7	-45.9	171.4	-53.6	-56.2	0	0	0	110.5	Y629 W647 A648 F654 E655 P661 P662 F663	Y629-I651 HydrophobicContact CD1-CB 3.6Å; Y629-I651 HydrophobicContact CD1-CG1 4.44Å; Y629-I651 HydrophobicContact CD1-CG2 3.38Å; Y629-I651 HydrophobicContact CD2-CG2 4.02Å; Y629-I651 HydrophobicContact CE1-CB 3.69Å; Y629-I651 HydrophobicContact CE1-CG2 3.35Å; Y629-I651 HydrophobicContact CE2-CG2 3.97Å; Y629-I651 HydrophobicContact CG-CB 4.31Å; Y629-I651 HydrophobicContact CG-CG2 3.73Å; W647-I651 HydrophobicContact CZ2-CD1 4.25Å; W647-I651 WeakPolarHBondContact O-CG1 3.37Å; W647-I651 PolarHBondContact O-N 2.94Å; W647-I651 VanDerWaalsContact O-N 3.13Å; A648-I651 PolarHBondContact O-N 3.09Å; I651-F654 PolarHBondContact O-N 3.35Å; I651-E655 PolarHBondContact O-N 3.21Å; I651-P661 HydrophobicContact CG2-CB 4.17Å; I651-P662 HydrophobicContact CD1-CG 3.61Å; I651-P662 HydrophobicContact CG2-CG 4.48Å; I651-F663 HydrophobicContact CD1-CD2 3.8Å; I651-F663 HydrophobicContact CD1-CE2 3.72Å
652	L	98.8	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-47.3	176.9	179.2	67.9	0	0	0	111.8	V573 L590 P592 L595 Y629 A648 L649 F654 E655 L656	V573-L652 HydrophobicContact CG2-CD2 4.06Å; L590-L652 HydrophobicContact CD1-CD2 4.12Å; L590-L652 HydrophobicContact CD2-CB 4.15Å; L590-L652 HydrophobicContact CD2-CD2 3.93Å; L590-L652 HydrophobicContact CG-CD2 4.2Å; P592-L652 HydrophobicContact CG-CD1 3.86Å; L595-L652 HydrophobicContact CD1-CD1 4.05Å; L595-L652 HydrophobicContact CD1-CD2 3.84Å; Y629-L652 HydrophobicContact CE1-CB 4.14Å; A648-L652 WeakPolarHBondContact O-CB 3.37Å; A648-L652 PolarHBondContact O-N 3.17Å; L649-L652 HydrophobicContact CD1-CD2 4.46Å; L649-L652 PolarHBondContact O-N 3.18Å; L652-F654 VanDerWaalsContact C-N 3.32Å; L652-F654 PolarHBondContact O-N 3.39Å; L652-E655 PolarHBondContact O-N 3.43Å; L652-L656 HydrophobicContact CD1-CD1 4.06Å; L652-L656 HydrophobicContact CD1-CD2 4.31Å; L652-L656 HydrophobicContact CD1-CG 3.94Å; L652-L656 HydrophobicContact CD2-CD1 4.32Å; L652-L656 HydrophobicContact CG-CD1 3.8Å; L652-L656 HydrophobicContact CG-CG 4.12Å; L652-L656 WeakPolarHBondContact O-CB 3.45Å; L652-L656 VanDerWaalsContact O-CG 3.25Å; L652-L656 WeakPolarHBondContact O-CG 3.44Å; L652-L656 PolarHBondContact O-N 3.28Å
653	L	98.8	Very high	97.5	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-40.6	179.1	177	52.6	0	0	0	111.8	A566 V570 L649 G650 L657 P692 L695 I696 W723	A566-L653 HydrophobicContact CB-CD1 4.35Å; V570-L653 HydrophobicContact CG2-CB 4.09Å; V570-L653 HydrophobicContact CG2-CD1 4.1Å; L649-L653 WeakPolarHBondContact O-CB 3.48Å; L649-L653 PolarHBondContact O-N 3.39Å; G650-L653 PolarHBondContact O-N 3.48Å; L653-L657 HydrophobicContact CD1-CD1 3.77Å; L653-L657 HydrophobicContact CD1-CG 4.12Å; L653-L657 HydrophobicContact CG-CD1 4.31Å; L653-L657 WeakPolarHBondContact O-CG 3.25Å; L653-L657 PolarHBondContact O-N 3.4Å; L653-P692 HydrophobicContact CD2-CB 4.38Å; L653-L695 HydrophobicContact CD2-CB 4.2Å; L653-L695 HydrophobicContact CD2-CD2 3.63Å; L653-L695 HydrophobicContact CD2-CG 3.9Å; L653-I696 HydrophobicContact CB-CG1 4.07Å; L653-I696 HydrophobicContact CD2-CD1 4.44Å; L653-I696 HydrophobicContact CD2-CG1 3.84Å; L653-I696 HydrophobicContact CG-CD1 4.03Å; L653-I696 HydrophobicContact CG-CG1 3.79Å; L653-W723 HydrophobicContact CD1-CH2 3.28Å; L653-W723 HydrophobicContact CD1-CZ2 3.64Å; L653-W723 HydrophobicContact CD1-CZ3 3.94Å; L653-W723 HydrophobicContact CD2-CE3 4.28Å; L653-W723 HydrophobicContact CD2-CH2 4.15Å; L653-W723 HydrophobicContact CD2-CZ3 3.99Å; L653-W723 HydrophobicContact CG-CH2 4.38Å
654	F	98.6	Very high	97.2	Very high	8 Å²	8	13.4 Å²	13.4	4%	0.035	9%	0.092	C	C	.	.	H	α-helix	trans	-62.8	-47.5	173.9	-173.1	-77	0	0	0	111.6	G650 I651 L652 L657 T658 S660 P662 M682 F684 P685 I688 I696	G650-F654 PolarHBondContact O-N 3.07Å; I651-F654 PolarHBondContact O-N 3.35Å; L652-F654 VanDerWaalsContact C-N 3.32Å; L652-F654 PolarHBondContact O-N 3.39Å; F654-L657 PolarHBondContact O-N 3.48Å; F654-T658 HydrophobicContact CD1-CG2 4.21Å; F654-T658 WeakPolarHBondContact CD1-OG1 3.32Å; F654-T658 HydrophobicContact CE1-CG2 3.78Å; F654-T658 WeakPolarHBondContact CE1-OG1 3.43Å; F654-T658 HydrophobicContact CE2-CG2 4.47Å; F654-T658 HydrophobicContact CZ-CG2 3.91Å; F654-T658 PolarHBondContact O-N 3.26Å; F654-T658 VanDerWaalsContact O-N 3.09Å; F654-T658 PolarHBondContact O-OG1 3.06Å; F654-S660 WeakPolarHBondContact CD1-O 3.25Å; F654-S660 WeakPolarHBondContact CE1-O 3.45Å; F654-P662 HydrophobicContact CB-CB 4.41Å; F654-P662 HydrophobicContact CB-CG 4.12Å; F654-P662 HydrophobicContact CD1-CB 3.71Å; F654-P662 HydrophobicContact CD1-CG 4.07Å; F654-P662 HydrophobicContact CD2-CB 3.94Å; F654-P662 HydrophobicContact CE1-CB 3.94Å; F654-P662 HydrophobicContact CE2-CB 4.14Å; F654-P662 HydrophobicContact CG-CB 3.74Å; F654-P662 HydrophobicContact CG-CG 3.98Å; F654-P662 HydrophobicContact CZ-CB 4.16Å; F654-M682 HydrophobicContact CE1-CE 4.1Å; F654-M682 HydrophobicContact CE2-CE 3.67Å; F654-M682 HydrophobicContact CE2-SD 4.13Å; F654-M682 HydrophobicContact CZ-CE 3.32Å; F654-M682 HydrophobicContact CZ-SD 4.33Å; F654-F684 HydrophobicContact CD2-CD1 4.34Å; F654-F684 AromaticContact CD2-CE1 3.92Å; F654-F684 HydrophobicContact CD2-CE1 3.92Å; F654-F684 HydrophobicContact CD2-CZ 4.16Å; F654-F684 HydrophobicContact CE2-CD1 4.18Å; F654-F684 HydrophobicContact CE2-CE1 4.16Å; F654-F684 HydrophobicContact CE2-CG 4.41Å; F654-F684 HydrophobicContact CE2-CZ 4.36Å; F654-P685 HydrophobicContact CZ-CG 4.12Å; F654-I688 HydrophobicContact CD2-CD1 3.43Å; F654-I688 VanDerWaalsContact CD2-CD1 3.43Å; F654-I688 HydrophobicContact CE2-CD1 3.4Å; F654-I688 VanDerWaalsContact CE2-CD1 3.4Å; F654-I688 HydrophobicContact CG-CD1 4.18Å; F654-I688 HydrophobicContact CZ-CD1 4.13Å; F654-I696 HydrophobicContact CB-CD1 3.98Å; F654-I696 HydrophobicContact CB-CG2 4.38Å; F654-I696 HydrophobicContact CD2-CD1 4.22Å
655	E	98.2	Very high	96.7	Very high	7 Å²	7	14.5 Å²	14.5	3%	0.033	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-42.7	-178.5	179.9	163.4	157.3	0	0	112.2	K141 L555 Y629 I651 L652 L657 T658 G659 S660 P661	K141-E655 WeakPolarHBondContact CE-OE2 3.23Å; K141-E655 IonicContact NZ-OE1 3.57Å; K141-E655 PolarHBondContact NZ-OE1 2.99Å; K141-E655 IonicContact NZ-OE2 3.95Å; K141-E655 PolarHBondContact NZ-OE2 3.38Å; L555-E655 HydrophobicContact CD2-CG 3.87Å; Y629-E655 PolarHBondContact OH-OE2 3.36Å; I651-E655 PolarHBondContact O-N 3.21Å; L652-E655 PolarHBondContact O-N 3.43Å; E655-L657 PolarHBondContact O-N 3.05Å; E655-T658 PolarHBondContact O-N 3.05Å; E655-G659 WeakPolarHBondContact O-CA 3.41Å; E655-G659 PolarHBondContact O-N 3.14Å; E655-S660 WeakPolarHBondContact CA-O 3.36Å; E655-P661 VanDerWaalsContact OE2-CD 3.25Å; E655-P661 WeakPolarHBondContact OE2-CD 3.32Å
656	L	98.6	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-37.2	175.4	-69.4	172.9	0	0	0	112.1	I551 L555 F561 A566 C569 V570 L652	I551-L656 HydrophobicContact CG2-CD2 3.97Å; L555-L656 HydrophobicContact CD1-CD2 4.35Å; L555-L656 HydrophobicContact CD2-CD2 4.36Å; F561-L656 WeakPolarHBondContact CB-O 3.2Å; F561-L656 HydrophobicContact CD2-CB 4.5Å; F561-L656 HydrophobicContact CD2-CD2 3.77Å; F561-L656 HydrophobicContact CE2-CD2 3.72Å; F561-L656 PolarHBondContact N-O 2.96Å; A566-L656 HydrophobicContact CB-CB 4.15Å; C569-L656 HydrophobicContact CB-CD1 3.58Å; V570-L656 HydrophobicContact CG2-CD1 4.17Å; L652-L656 HydrophobicContact CD1-CD1 4.06Å; L652-L656 HydrophobicContact CD1-CD2 4.31Å; L652-L656 HydrophobicContact CD1-CG 3.94Å; L652-L656 HydrophobicContact CD2-CD1 4.32Å; L652-L656 HydrophobicContact CG-CD1 3.8Å; L652-L656 HydrophobicContact CG-CG 4.12Å; L652-L656 WeakPolarHBondContact O-CB 3.45Å; L652-L656 VanDerWaalsContact O-CG 3.25Å; L652-L656 WeakPolarHBondContact O-CG 3.44Å; L652-L656 PolarHBondContact O-N 3.28Å
657	L	98.4	Very high	95.2	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-80.8	-19.9	-179.5	-69.5	175.6	0	0	0	114.1	E563 A566 L653 F654 E655 K687 I688 P692	E563-L657 HydrophobicContact CG-CD2 3.97Å; A566-L657 HydrophobicContact CB-CD2 3.75Å; A566-L657 HydrophobicContact CB-CG 4.22Å; L653-L657 HydrophobicContact CD1-CD1 3.77Å; L653-L657 HydrophobicContact CD1-CG 4.12Å; L653-L657 HydrophobicContact CG-CD1 4.31Å; L653-L657 WeakPolarHBondContact O-CG 3.25Å; L653-L657 PolarHBondContact O-N 3.4Å; F654-L657 PolarHBondContact O-N 3.48Å; E655-L657 PolarHBondContact O-N 3.05Å; L657-K687 WeakPolarHBondContact O-CD 3.22Å; L657-K687 WeakPolarHBondContact O-CE 3.43Å; L657-K687 PolarHBondContact O-NZ 2.92Å; L657-I688 HydrophobicContact CB-CG1 4.28Å; L657-I688 HydrophobicContact CD1-CG1 4.44Å; L657-I688 HydrophobicContact CD1-CG2 4.31Å; L657-P692 HydrophobicContact CD1-CB 3.6Å; L657-P692 HydrophobicContact CD1-CG 3.98Å
658	T	96.9	Very high	94.5	Very high	38 Å²	38	25.7 Å²	25.7	23%	0.233	17%	0.17	C	C	.	.	H	α-helix	trans	-123.2	-20.3	-171.4	59.6	0	0	0	0	115.2	F654 E655 S660 P685 I688	F654-T658 HydrophobicContact CD1-CG2 4.21Å; F654-T658 WeakPolarHBondContact CD1-OG1 3.32Å; F654-T658 HydrophobicContact CE1-CG2 3.78Å; F654-T658 WeakPolarHBondContact CE1-OG1 3.43Å; F654-T658 HydrophobicContact CE2-CG2 4.47Å; F654-T658 HydrophobicContact CZ-CG2 3.91Å; F654-T658 PolarHBondContact O-N 3.26Å; F654-T658 VanDerWaalsContact O-N 3.09Å; F654-T658 PolarHBondContact O-OG1 3.06Å; E655-T658 PolarHBondContact O-N 3.05Å; T658-S660 PolarHBondContact OG1-N 2.87Å; T658-S660 PolarHBondContact OG1-O 2.66Å; T658-P685 HydrophobicContact CG2-CG 4.16Å; T658-I688 HydrophobicContact CG2-CD1 3.76Å; T658-I688 HydrophobicContact CG2-CG1 4Å
659	G	95.6	Very high	93.7	Very high	24 Å²	24	26.8 Å²	26.8	25%	0.247	17%	0.174	C	C	.	.	S	Bend	trans	87.3	4.4	-173.5	0	0	0	0	0	114.8	G559 E655	G559-G659 WeakPolarHBondContact O-CA 3.21Å; E655-G659 WeakPolarHBondContact O-CA 3.41Å; E655-G659 PolarHBondContact O-N 3.14Å
660	S	94.1	Very high	93.1	Very high	72 Å²	72	30.4 Å²	30.4	50%	0.503	19%	0.192	S	C	.	.	S	Bend	trans	-156.1	153	178.6	-71.6	0	0	0	0	112	F654 E655 T658	F654-S660 WeakPolarHBondContact CD1-O 3.25Å; F654-S660 WeakPolarHBondContact CE1-O 3.45Å; E655-S660 WeakPolarHBondContact CA-O 3.36Å; T658-S660 PolarHBondContact OG1-N 2.87Å; T658-S660 PolarHBondContact OG1-O 2.66Å
661	P	95.8	Very high	92.8	Very high	19 Å²	19	30.7 Å²	30.7	12%	0.123	19%	0.194	C	C	.	.			trans	-70.1	154.3	178.7	28.8	-32.7	0	0	0	111.6	E628 I651 E655 F663	E628-P661 HydrophobicContact CB-CB 3.86Å; E628-P661 HydrophobicContact CB-CG 3.78Å; E628-P661 HydrophobicContact CG-CB 4.46Å; E628-P661 HydrophobicContact CG-CG 3.84Å; I651-P661 HydrophobicContact CG2-CB 4.17Å; E655-P661 VanDerWaalsContact OE2-CD 3.25Å; E655-P661 WeakPolarHBondContact OE2-CD 3.32Å; P661-F663 VanDerWaalsContact C-N 3.27Å; P661-F663 PolarHBondContact O-N 3.45Å
662	P	95.8	Very high	92.4	Very high	13 Å²	13	30.9 Å²	30.9	8%	0.084	19%	0.194	C	C	.	.	S	Bend	trans	-68.9	-23.6	-177.4	26.3	-32.1	0	0	0	113.8	I651 F654 I679 M682	I651-P662 HydrophobicContact CD1-CG 3.61Å; I651-P662 HydrophobicContact CG2-CG 4.48Å; F654-P662 HydrophobicContact CB-CB 4.41Å; F654-P662 HydrophobicContact CB-CG 4.12Å; F654-P662 HydrophobicContact CD1-CB 3.71Å; F654-P662 HydrophobicContact CD1-CG 4.07Å; F654-P662 HydrophobicContact CD2-CB 3.94Å; F654-P662 HydrophobicContact CE1-CB 3.94Å; F654-P662 HydrophobicContact CE2-CB 4.14Å; F654-P662 HydrophobicContact CG-CB 3.74Å; F654-P662 HydrophobicContact CG-CG 3.98Å; F654-P662 HydrophobicContact CZ-CB 4.16Å; P662-I679 HydrophobicContact CB-CD1 4.09Å; P662-I679 HydrophobicContact CG-CD1 4.49Å; P662-M682 HydrophobicContact CB-CE 3.83Å; P662-M682 HydrophobicContact CB-SD 3.43Å; P662-M682 WeakPolarHBondContact CB-SD 3.49Å; P662-M682 WeakPolarHBondContact O-CE 3.3Å
663	F	95.1	Very high	91.9	Very high	7 Å²	7	31.9 Å²	31.9	3%	0.031	20%	0.201	C	C	.	.			trans	-118.2	112.3	178.7	-50.6	-62.9	0	0	0	109.5	W647 I651 P661 F674 I675 I679	W647-F663 AromaticContact CH2-CE2 3.91Å; W647-F663 HydrophobicContact CH2-CE2 3.91Å; W647-F663 HydrophobicContact CH2-CZ 4.28Å; W647-F663 HydrophobicContact CZ2-CD2 4.16Å; W647-F663 AromaticContact CZ2-CE2 3.51Å; W647-F663 HydrophobicContact CZ2-CE2 3.51Å; W647-F663 HydrophobicContact CZ2-CZ 4.31Å; I651-F663 HydrophobicContact CD1-CD2 3.8Å; I651-F663 HydrophobicContact CD1-CE2 3.72Å; P661-F663 VanDerWaalsContact C-N 3.27Å; P661-F663 PolarHBondContact O-N 3.45Å; F663-F674 HydrophobicContact CB-CB 4.23Å; F663-F674 HydrophobicContact CD1-CB 4.01Å; F663-I675 HydrophobicContact CB-CD1 4.43Å; F663-I675 HydrophobicContact CB-CG1 3.69Å; F663-I675 HydrophobicContact CD2-CG1 3.59Å; F663-I675 HydrophobicContact CE2-CG1 4.39Å; F663-I675 HydrophobicContact CG-CG1 3.72Å; F663-I679 HydrophobicContact CE1-CD1 4.35Å; F663-I679 HydrophobicContact CE2-CD1 4.36Å; F663-I679 HydrophobicContact CZ-CB 4.07Å; F663-I679 HydrophobicContact CZ-CD1 3.76Å
664	S	89.2	Confident	91.6	Very high	73 Å²	73	35 Å²	35	51%	0.51	21%	0.214	S	C	.	.			trans	-150.2	143.6	174.8	-176	0	0	0	0	109.6	F674	S664-F674 WeakPolarHBondContact O-CD2 3.45Å; S664-F674 VanDerWaalsContact O-CE2 3.3Å; S664-F674 WeakPolarHBondContact O-CE2 3.39Å
665	G	86.3	Confident	91.4	Very high	26 Å²	26	34.6 Å²	34.6	27%	0.268	21%	0.213	S	C	.	.			trans	-139.8	-177.3	179.7	0	0	0	0	0	111.9	D667 T671	G665-D667 PolarHBondContact O-N 3.43Å; G665-T671 PolarHBondContact N-OG1 3.47Å; G665-T671 VanDerWaalsContact N-OG1 3.11Å
666	S	82.9	Confident	91.1	Very high	104 Å²	104	34.9 Å²	34.9	73%	0.727	21%	0.214	S	C	*	.	S	Bend	trans	-62.5	-22.4	175.7	47.5	0	0	0	0	113.8	M670	S666-M670 PolarHBondContact N-SD 2.89Å; S666-M670 VanDerWaalsContact N-SD 3.43Å; S666-M670 PolarHBondContact OG-SD 3.39Å
667	D	82	Confident	90.7	Very high	78 Å²	78	39.6 Å²	39.6	42%	0.417	24%	0.235	S	C	.	.	S	Bend	trans	-156.9	170.2	-174.9	61.4	81.6	0	0	0	110.1	G665 M669 M670 T671	G665-D667 PolarHBondContact O-N 3.43Å; D667-M669 VanDerWaalsContact C-N 3.34Å; D667-M669 PolarHBondContact O-N 3Å; D667-M669 WeakPolarHBondContact OD1-CA 3.41Å; D667-M669 WeakPolarHBondContact OD1-CB 3.43Å; D667-M669 PolarHBondContact OD1-N 3.2Å; D667-M670 PolarHBondContact O-N 3.21Å; D667-M670 PolarHBondContact OD1-N 2.86Å; D667-T671 PolarHBondContact O-N 3.21Å; D667-T671 PolarHBondContact O-OG1 3.27Å
668	Q	84.1	Confident	90.4	Very high	59 Å²	59	39.4 Å²	39.4	28%	0.276	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-33.9	-176.1	-66.2	164	-33.9	0	0	113.2	L248 Y252 P627 T671 Y672	L248-Q668 HydrophobicContact CD1-CB 4.5Å; L248-Q668 HydrophobicContact CD2-CB 4.31Å; Y252-Q668 PolarHBondContact OH-NE2 2.83Å; Y252-Q668 PolarHBondContact OH-OE1 3.35Å; P627-Q668 HydrophobicContact CG-CG 4.43Å; Q668-T671 PolarHBondContact O-N 2.89Å; Q668-Y672 HydrophobicContact CB-CE2 4.17Å; Q668-Y672 WeakPolarHBondContact O-CB 3.37Å; Q668-Y672 WeakPolarHBondContact O-CD2 3.5Å; Q668-Y672 PolarHBondContact O-N 3.26Å
669	M	83.3	Confident	90.2	Very high	30 Å²	30	37.6 Å²	37.6	15%	0.148	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-39.4	176.7	-75.3	-63.5	-66.8	0	0	110.7	E247 L248 D667 Y672 T673	E247-M669 HydrophobicContact CG-CE 3.56Å; E247-M669 HydrophobicContact CG-SD 3.91Å; L248-M669 HydrophobicContact CD1-CG 4.05Å; L248-M669 HydrophobicContact CD2-CG 3.79Å; L248-M669 HydrophobicContact CD2-SD 3.52Å; L248-M669 VanDerWaalsContact CD2-SD 3.52Å; L248-M669 HydrophobicContact CG-CG 3.76Å; L248-M669 HydrophobicContact CG-SD 3.84Å; D667-M669 VanDerWaalsContact C-N 3.34Å; D667-M669 PolarHBondContact O-N 3Å; D667-M669 WeakPolarHBondContact OD1-CA 3.41Å; D667-M669 WeakPolarHBondContact OD1-CB 3.43Å; D667-M669 PolarHBondContact OD1-N 3.2Å; M669-Y672 PolarHBondContact O-N 3.14Å; M669-Y672 HydrophobicContact SD-CD2 4.3Å; M669-T673 WeakPolarHBondContact O-CB 3.2Å; M669-T673 PolarHBondContact O-N 3.48Å; M669-T673 PolarHBondContact O-OG1 2.68Å
670	M	86.3	Confident	89.9	Confident	76 Å²	76	39.9 Å²	39.9	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-43.2	173.4	-168.2	174.5	-173.3	0	0	111.9	S666 D667 T673 F674	S666-M670 PolarHBondContact N-SD 2.89Å; S666-M670 VanDerWaalsContact N-SD 3.43Å; S666-M670 PolarHBondContact OG-SD 3.39Å; D667-M670 PolarHBondContact O-N 3.21Å; D667-M670 PolarHBondContact OD1-N 2.86Å; M670-T673 PolarHBondContact O-N 2.76Å; M670-F674 HydrophobicContact CE-CE2 3.76Å; M670-F674 HydrophobicContact CE-CZ 3.61Å; M670-F674 HydrophobicContact CG-CD2 4.18Å; M670-F674 HydrophobicContact CG-CE2 3.66Å; M670-F674 HydrophobicContact CG-CZ 4.24Å; M670-F674 WeakPolarHBondContact O-CD2 3.46Å; M670-F674 PolarHBondContact O-N 3.34Å; M670-F674 HydrophobicContact SD-CE2 4.28Å
671	T	91.2	Very high	89.7	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-49.6	172.2	-65.5	0	0	0	0	111.7	E628 G665 D667 Q668 T673 F674 I675	E628-T671 HydrophobicContact CG-CG2 4.15Å; G665-T671 PolarHBondContact N-OG1 3.47Å; G665-T671 VanDerWaalsContact N-OG1 3.11Å; D667-T671 PolarHBondContact O-N 3.21Å; D667-T671 PolarHBondContact O-OG1 3.27Å; Q668-T671 PolarHBondContact O-N 2.89Å; T671-T673 VanDerWaalsContact C-N 3.33Å; T671-T673 PolarHBondContact O-N 3.06Å; T671-F674 PolarHBondContact O-N 3.3Å; T671-F674 VanDerWaalsContact O-N 3.12Å; T671-I675 HydrophobicContact CG2-CD1 3.99Å; T671-I675 PolarHBondContact O-N 3.13Å
672	Y	90.6	Very high	89.3	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-38.4	175.7	-60.8	-29.8	0	0	0	112.2	L248 L251 Y252 F623 P627 I635 Q668 M669 F674 I675 L676	L248-Y672 HydrophobicContact CD2-CD2 4.11Å; L248-Y672 HydrophobicContact CD2-CE2 3.65Å; L251-Y672 HydrophobicContact CD1-CD2 4.41Å; L251-Y672 HydrophobicContact CD1-CE2 4.27Å; Y252-Y672 HydrophobicContact CE1-CE2 4.24Å; Y252-Y672 WeakPolarHBondContact CE1-OH 3.36Å; F623-Y672 HydrophobicContact CZ-CE1 4.28Å; F623-Y672 HydrophobicContact CZ-CE2 4.26Å; F623-Y672 AromaticContact CZ-CZ 3.82Å; P627-Y672 HydrophobicContact CB-CE1 3.92Å; I635-Y672 HydrophobicContact CD1-CD1 3.58Å; I635-Y672 HydrophobicContact CD1-CE1 4.41Å; I635-Y672 HydrophobicContact CD1-CG 4.04Å; I635-Y672 HydrophobicContact CG1-CD1 4Å; I635-Y672 HydrophobicContact CG1-CE1 4.49Å; I635-Y672 HydrophobicContact CG1-CG 4.35Å; I635-Y672 HydrophobicContact CG2-CG 4.4Å; Q668-Y672 HydrophobicContact CB-CE2 4.17Å; Q668-Y672 WeakPolarHBondContact O-CB 3.37Å; Q668-Y672 WeakPolarHBondContact O-CD2 3.5Å; Q668-Y672 PolarHBondContact O-N 3.26Å; M669-Y672 PolarHBondContact O-N 3.14Å; M669-Y672 HydrophobicContact SD-CD2 4.3Å; Y672-F674 VanDerWaalsContact C-N 3.28Å; Y672-F674 PolarHBondContact O-N 2.68Å; Y672-I675 HydrophobicContact CD1-CD1 4.27Å; Y672-I675 PolarHBondContact O-N 2.93Å; Y672-L676 WeakPolarHBondContact O-CB 3.44Å; Y672-L676 VanDerWaalsContact O-CG 3.22Å; Y672-L676 WeakPolarHBondContact O-CG 3.34Å; Y672-L676 PolarHBondContact O-N 3.08Å
673	T	88.4	Confident	89	Confident	21 Å²	21	52.3 Å²	52.3	13%	0.129	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-32.5	174.4	-65.7	0	0	0	0	112.4	M669 M670 T671 K677	M669-T673 WeakPolarHBondContact O-CB 3.2Å; M669-T673 PolarHBondContact O-N 3.48Å; M669-T673 PolarHBondContact O-OG1 2.68Å; M670-T673 PolarHBondContact O-N 2.76Å; T671-T673 VanDerWaalsContact C-N 3.33Å; T671-T673 PolarHBondContact O-N 3.06Å; T673-K677 WeakPolarHBondContact O-CG 3.3Å; T673-K677 PolarHBondContact O-N 2.94Å
674	F	92.2	Very high	88.9	Confident	65 Å²	65	53.4 Å²	53.4	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-72.9	-45.3	171.9	-69.7	-52.9	0	0	0	112.5	F663 S664 M670 T671 Y672 L676 K677 G678	F663-F674 HydrophobicContact CB-CB 4.23Å; F663-F674 HydrophobicContact CD1-CB 4.01Å; S664-F674 WeakPolarHBondContact O-CD2 3.45Å; S664-F674 VanDerWaalsContact O-CE2 3.3Å; S664-F674 WeakPolarHBondContact O-CE2 3.39Å; M670-F674 HydrophobicContact CE-CE2 3.76Å; M670-F674 HydrophobicContact CE-CZ 3.61Å; M670-F674 HydrophobicContact CG-CD2 4.18Å; M670-F674 HydrophobicContact CG-CE2 3.66Å; M670-F674 HydrophobicContact CG-CZ 4.24Å; M670-F674 WeakPolarHBondContact O-CD2 3.46Å; M670-F674 PolarHBondContact O-N 3.34Å; M670-F674 HydrophobicContact SD-CE2 4.28Å; T671-F674 PolarHBondContact O-N 3.3Å; T671-F674 VanDerWaalsContact O-N 3.12Å; Y672-F674 VanDerWaalsContact C-N 3.28Å; Y672-F674 PolarHBondContact O-N 2.68Å; F674-L676 VanDerWaalsContact C-N 3.26Å; F674-L676 PolarHBondContact O-N 3.48Å; F674-K677 HydrophobicContact CD1-CD 4.18Å; F674-K677 WeakPolarHBondContact O-CB 3.29Å; F674-K677 PolarHBondContact O-N 2.93Å; F674-G678 PolarHBondContact O-N 3.48Å; F674-G678 VanDerWaalsContact O-N 3.16Å
675	I	94.6	Very high	89.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55	-43.1	174	-69.8	161.5	0	0	0	111	P627 P632 I635 W647 F663 T671 Y672 K677 G678	P627-I675 VanDerWaalsContact O-CD1 3.32Å; P627-I675 WeakPolarHBondContact O-CD1 3.38Å; P632-I675 HydrophobicContact CB-CG2 4.44Å; P632-I675 HydrophobicContact CG-CG2 3.82Å; I635-I675 HydrophobicContact CD1-CB 3.92Å; I635-I675 HydrophobicContact CD1-CD1 4.05Å; I635-I675 HydrophobicContact CD1-CG2 3.51Å; W647-I675 HydrophobicContact CH2-CG2 4.29Å; W647-I675 HydrophobicContact CZ2-CG2 3.77Å; F663-I675 HydrophobicContact CB-CD1 4.43Å; F663-I675 HydrophobicContact CB-CG1 3.69Å; F663-I675 HydrophobicContact CD2-CG1 3.59Å; F663-I675 HydrophobicContact CE2-CG1 4.39Å; F663-I675 HydrophobicContact CG-CG1 3.72Å; T671-I675 HydrophobicContact CG2-CD1 3.99Å; T671-I675 PolarHBondContact O-N 3.13Å; Y672-I675 HydrophobicContact CD1-CD1 4.27Å; Y672-I675 PolarHBondContact O-N 2.93Å; I675-K677 VanDerWaalsContact C-N 3.3Å; I675-K677 PolarHBondContact O-N 3.39Å; I675-G678 PolarHBondContact O-N 2.97Å; I675-G678 VanDerWaalsContact O-N 3.11Å
676	L	91.1	Very high	89.3	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.068	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.2	177.8	-65.3	175.8	0	0	0	114.8	Y182 P632 I635 L636 Y672 F674	Y182-L676 HydrophobicContact CD2-CD1 4.37Å; P632-L676 HydrophobicContact CB-CD2 4.21Å; I635-L676 HydrophobicContact CB-CD2 4.34Å; I635-L676 HydrophobicContact CG2-CD1 3.85Å; I635-L676 HydrophobicContact CG2-CD2 4.19Å; I635-L676 HydrophobicContact CG2-CG 4.17Å; L636-L676 HydrophobicContact CD1-CD2 4Å; L636-L676 HydrophobicContact CD2-CD1 4.34Å; L636-L676 HydrophobicContact CD2-CD2 3.92Å; L636-L676 HydrophobicContact CG-CD2 3.69Å; Y672-L676 WeakPolarHBondContact O-CB 3.44Å; Y672-L676 VanDerWaalsContact O-CG 3.22Å; Y672-L676 WeakPolarHBondContact O-CG 3.34Å; Y672-L676 PolarHBondContact O-N 3.08Å; F674-L676 VanDerWaalsContact C-N 3.26Å; F674-L676 PolarHBondContact O-N 3.48Å
677	K	91	Very high	89.8	Confident	99 Å²	99	61.7 Å²	61.7	43%	0.43	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-31.6	165.3	-74.2	167	-178.9	175.3	0	111.3	T673 F674 I675	T673-K677 WeakPolarHBondContact O-CG 3.3Å; T673-K677 PolarHBondContact O-N 2.94Å; F674-K677 HydrophobicContact CD1-CD 4.18Å; F674-K677 WeakPolarHBondContact O-CB 3.29Å; F674-K677 PolarHBondContact O-N 2.93Å; I675-K677 VanDerWaalsContact C-N 3.3Å; I675-K677 PolarHBondContact O-N 3.39Å
678	G	92.1	Very high	90.5	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.01	28%	0.277	C	S	.	.			trans	87	160.9	174.7	0	0	0	0	0	114.8	F674 I675 E680 K681	F674-G678 PolarHBondContact O-N 3.48Å; F674-G678 VanDerWaalsContact O-N 3.16Å; I675-G678 PolarHBondContact O-N 2.97Å; I675-G678 VanDerWaalsContact O-N 3.11Å; G678-E680 PolarHBondContact O-N 2.93Å; G678-E680 VanDerWaalsContact O-N 3.12Å; G678-K681 PolarHBondContact O-N 3.19Å; G678-K681 VanDerWaalsContact O-N 3.07Å
679	I	93.6	Very high	91	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62	-22	-174.4	-160	64.7	0	0	0	113.5	P662 F663 K681 M682 F684 I696 R697 C700	P662-I679 HydrophobicContact CB-CD1 4.09Å; P662-I679 HydrophobicContact CG-CD1 4.49Å; F663-I679 HydrophobicContact CE1-CD1 4.35Å; F663-I679 HydrophobicContact CE2-CD1 4.36Å; F663-I679 HydrophobicContact CZ-CB 4.07Å; F663-I679 HydrophobicContact CZ-CD1 3.76Å; I679-K681 PolarHBondContact O-N 2.87Å; I679-M682 HydrophobicContact CD1-SD 3.9Å; I679-M682 WeakPolarHBondContact O-CB 3.4Å; I679-M682 PolarHBondContact O-N 3.49Å; I679-F684 HydrophobicContact CD1-CE2 3.79Å; I679-F684 HydrophobicContact CD1-CZ 3.78Å; I679-F684 HydrophobicContact CG1-CE2 3.82Å; I679-F684 HydrophobicContact CG1-CZ 3.76Å; I679-I696 HydrophobicContact CD1-CG2 4.3Å; I679-I696 HydrophobicContact CG1-CG2 4.32Å; I679-R697 HydrophobicContact CG1-CG 4.49Å; I679-R697 HydrophobicContact CG2-CG 4.45Å; I679-R697 PolarHBondContact O-NH1 2.65Å; I679-C700 HydrophobicContact CB-CB 3.97Å; I679-C700 HydrophobicContact CG1-CB 4.21Å; I679-C700 HydrophobicContact CG2-CB 3.96Å; I679-C700 VanDerWaalsContact CG2-O 3.29Å; I679-C700 WeakPolarHBondContact CG2-O 3.27Å
680	E	89.1	Confident	91.6	Very high	73 Å²	73	67.9 Å²	67.9	34%	0.341	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-69.7	-15.8	177.2	-66	147	172.6	0	0	113.5	G678 R701 R702	G678-E680 PolarHBondContact O-N 2.93Å; G678-E680 VanDerWaalsContact O-N 3.12Å; E680-R701 IonicContact OE1-CZ 2.67Å; E680-R701 IonicContact OE1-NH1 3.81Å; E680-R701 PolarHBondContact OE1-NH1 2.83Å; E680-R702 IonicContact OE2-CZ 2.72Å; E680-R702 VanDerWaalsContact OE2-CZ 3.31Å; E680-R702 IonicContact OE2-NE 2.89Å; E680-R702 PolarHBondContact OE2-NE 3.21Å; E680-R702 VanDerWaalsContact OE2-NE 3.11Å; E680-R702 IonicContact OE2-NH2 2.62Å; E680-R702 PolarHBondContact OE2-NH2 2.75Å
681	K	88.3	Confident	92.1	Very high	169 Å²	169	71.3 Å²	71.3	74%	0.735	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-104.2	21.4	174.8	-61.4	-58	-176.7	-173.1	0	112.7	G678 I679	G678-K681 PolarHBondContact O-N 3.19Å; G678-K681 VanDerWaalsContact O-N 3.07Å; I679-K681 PolarHBondContact O-N 2.87Å
682	M	89.1	Confident	92.4	Very high	41 Å²	41	71 Å²	71	20%	0.202	32%	0.323	C	S	.	.			trans	-119	129.6	179.7	-172.7	-171.2	-177.6	0	0	111.8	F654 P662 I679 F684 R697	F654-M682 HydrophobicContact CE1-CE 4.1Å; F654-M682 HydrophobicContact CE2-CE 3.67Å; F654-M682 HydrophobicContact CE2-SD 4.13Å; F654-M682 HydrophobicContact CZ-CE 3.32Å; F654-M682 HydrophobicContact CZ-SD 4.33Å; P662-M682 HydrophobicContact CB-CE 3.83Å; P662-M682 HydrophobicContact CB-SD 3.43Å; P662-M682 WeakPolarHBondContact CB-SD 3.49Å; P662-M682 WeakPolarHBondContact O-CE 3.3Å; I679-M682 HydrophobicContact CD1-SD 3.9Å; I679-M682 WeakPolarHBondContact O-CB 3.4Å; I679-M682 PolarHBondContact O-N 3.49Å; M682-F684 HydrophobicContact CB-CE2 4.5Å; M682-F684 HydrophobicContact SD-CE2 4.25Å; M682-R697 PolarHBondContact O-NH2 2.94Å
683	D	88.8	Confident	92.8	Very high	155 Å²	155	73.2 Å²	73.2	83%	0.829	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-76.4	129.1	167.3	-62.7	-54.6	0	0	0	110.6
684	F	93.8	Very high	93.3	Very high	30 Å²	30	74.7 Å²	74.7	13%	0.132	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-89.4	133.3	-178.2	-87.7	-129.2	0	0	0	110.8	F654 I679 M682 K686 I688 E693 I696 R697	F654-F684 HydrophobicContact CD2-CD1 4.34Å; F654-F684 AromaticContact CD2-CE1 3.92Å; F654-F684 HydrophobicContact CD2-CE1 3.92Å; F654-F684 HydrophobicContact CD2-CZ 4.16Å; F654-F684 HydrophobicContact CE2-CD1 4.18Å; F654-F684 HydrophobicContact CE2-CE1 4.16Å; F654-F684 HydrophobicContact CE2-CG 4.41Å; F654-F684 HydrophobicContact CE2-CZ 4.36Å; I679-F684 HydrophobicContact CD1-CE2 3.79Å; I679-F684 HydrophobicContact CD1-CZ 3.78Å; I679-F684 HydrophobicContact CG1-CE2 3.82Å; I679-F684 HydrophobicContact CG1-CZ 3.76Å; M682-F684 HydrophobicContact CB-CE2 4.5Å; M682-F684 HydrophobicContact SD-CE2 4.25Å; F684-K686 PolarHBondContact O-N 3.41Å; F684-I688 HydrophobicContact CD1-CB 4.29Å; F684-I688 HydrophobicContact CD1-CD1 3.75Å; F684-I688 HydrophobicContact CD1-CG2 4.03Å; F684-I688 HydrophobicContact CE1-CD1 4.19Å; F684-E693 HydrophobicContact CD1-CB 3.92Å; F684-E693 HydrophobicContact CD1-CG 3.63Å; F684-E693 HydrophobicContact CE1-CB 4.18Å; F684-E693 HydrophobicContact CE1-CG 3.86Å; F684-E693 HydrophobicContact CG-CG 4.1Å; F684-E693 HydrophobicContact CZ-CG 4.5Å; F684-I696 HydrophobicContact CE1-CB 4.03Å; F684-I696 HydrophobicContact CE1-CD1 3.88Å; F684-I696 HydrophobicContact CE1-CG2 3.95Å; F684-I696 HydrophobicContact CZ-CB 4.21Å; F684-I696 HydrophobicContact CZ-CG2 3.74Å; F684-R697 HydrophobicContact CZ-CG 4.23Å
685	P	93	Very high	93.6	Very high	57 Å²	57	71.6 Å²	71.6	37%	0.37	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59.5	136.9	174.5	-24.2	34.2	0	0	0	111.4	F654 T658 K687 I688	F654-P685 HydrophobicContact CZ-CG 4.12Å; T658-P685 HydrophobicContact CG2-CG 4.16Å; P685-K687 PolarHBondContact O-N 2.88Å; P685-I688 PolarHBondContact O-N 2.63Å
686	K	90.9	Very high	93.8	Very high	219 Å²	219	71.6 Å²	71.6	95%	0.952	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-10.8	-177	-62	-173.2	-178.8	-178.2	0	115.7	F684	F684-K686 PolarHBondContact O-N 3.41Å
687	K	92.3	Very high	94.1	Very high	101 Å²	101	74.2 Å²	74.2	44%	0.439	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-30.9	172.4	-172.3	-177	172.8	-146.4	0	112.3	S560 F561 L657 P685 T689	S560-K687 VanDerWaalsContact CB-NZ 3.34Å; S560-K687 PolarHBondContact OG-NZ 2.8Å; F561-K687 PolarHBondContact O-NZ 2.99Å; L657-K687 WeakPolarHBondContact O-CD 3.22Å; L657-K687 WeakPolarHBondContact O-CE 3.43Å; L657-K687 PolarHBondContact O-NZ 2.92Å; P685-K687 PolarHBondContact O-N 2.88Å; K687-T689 PolarHBondContact O-N 2.79Å
688	I	96.1	Very high	94.4	Very high	9 Å²	9	73.1 Å²	73.1	5%	0.046	33%	0.331	C	S	.	.	S	Bend	trans	-77.9	119.3	175.2	-54.7	-179.2	0	0	0	107.7	F654 L657 T658 F684 P685 P692 E693 I696	F654-I688 HydrophobicContact CD2-CD1 3.43Å; F654-I688 VanDerWaalsContact CD2-CD1 3.43Å; F654-I688 HydrophobicContact CE2-CD1 3.4Å; F654-I688 VanDerWaalsContact CE2-CD1 3.4Å; F654-I688 HydrophobicContact CG-CD1 4.18Å; F654-I688 HydrophobicContact CZ-CD1 4.13Å; L657-I688 HydrophobicContact CB-CG1 4.28Å; L657-I688 HydrophobicContact CD1-CG1 4.44Å; L657-I688 HydrophobicContact CD1-CG2 4.31Å; T658-I688 HydrophobicContact CG2-CD1 3.76Å; T658-I688 HydrophobicContact CG2-CG1 4Å; F684-I688 HydrophobicContact CD1-CB 4.29Å; F684-I688 HydrophobicContact CD1-CD1 3.75Å; F684-I688 HydrophobicContact CD1-CG2 4.03Å; F684-I688 HydrophobicContact CE1-CD1 4.19Å; P685-I688 PolarHBondContact O-N 2.63Å; I688-P692 HydrophobicContact CG2-CB 4.07Å; I688-P692 HydrophobicContact CG2-CG 3.8Å; I688-E693 HydrophobicContact CG2-CB 4.04Å; I688-I696 HydrophobicContact CD1-CD1 4.25Å; I688-I696 HydrophobicContact CG2-CD1 4.26Å
689	T	95.1	Very high	94.7	Very high	65 Å²	65	73 Å²	73	40%	0.399	33%	0.33	S	S	.	.			trans	-81.2	168.2	176.8	77.4	0	0	0	0	111.5	E563 K687 R691 P692 E693	E563-T689 WeakPolarHBondContact OE1-CB 3.47Å; E563-T689 WeakPolarHBondContact OE1-CG2 3.36Å; E563-T689 PolarHBondContact OE1-OG1 2.87Å; K687-T689 PolarHBondContact O-N 2.79Å; T689-R691 PolarHBondContact O-N 2.63Å; T689-P692 WeakPolarHBondContact O-CD 3.3Å; T689-P692 VanDerWaalsContact O-CG 3.31Å; T689-P692 WeakPolarHBondContact O-CG 3.45Å; T689-P692 VanDerWaalsContact OG1-CD 3.25Å; T689-P692 WeakPolarHBondContact OG1-CD 3.37Å; T689-E693 WeakPolarHBondContact O-CB 3.37Å; T689-E693 PolarHBondContact O-N 3.01Å
690	R	96.6	Very high	94.9	Very high	222 Å²	222	73 Å²	73	84%	0.838	33%	0.33	S	S	*	.	H	α-helix	trans	-55.9	-26.8	-175.1	-66.8	-176.5	178.2	179.4	-1	114.7	D694	R690-D694 VanDerWaalsContact O-CB 3.29Å; R690-D694 WeakPolarHBondContact O-CB 3.47Å; R690-D694 PolarHBondContact O-N 3.05Å; R690-D694 VanDerWaalsContact O-N 3.12Å
691	R	97.2	Very high	95.2	Very high	148 Å²	148	73.9 Å²	73.9	56%	0.558	33%	0.33	S	S	*	.	H	α-helix	trans	-78.5	-50.8	-177.4	-69.3	-178.8	-177.1	164	1.9	113.7	T689 E693 L695 W723	T689-R691 PolarHBondContact O-N 2.63Å; R691-E693 VanDerWaalsContact C-N 3.33Å; R691-L695 PolarHBondContact O-N 3.49Å; R691-W723 HydrophobicContact CB-CB 4.2Å; R691-W723 HydrophobicContact CB-CG 4.43Å
692	P	97.5	Very high	95.4	Very high	0 Å²	0	71 Å²	71	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66	-33	169.7	23.8	-31.6	0	0	0	112.3	E563 L653 L657 I688 T689 L695 I696	E563-P692 HydrophobicContact CG-CG 4.48Å; L653-P692 HydrophobicContact CD2-CB 4.38Å; L657-P692 HydrophobicContact CD1-CB 3.6Å; L657-P692 HydrophobicContact CD1-CG 3.98Å; I688-P692 HydrophobicContact CG2-CB 4.07Å; I688-P692 HydrophobicContact CG2-CG 3.8Å; T689-P692 WeakPolarHBondContact O-CD 3.3Å; T689-P692 VanDerWaalsContact O-CG 3.31Å; T689-P692 WeakPolarHBondContact O-CG 3.45Å; T689-P692 VanDerWaalsContact OG1-CD 3.25Å; T689-P692 WeakPolarHBondContact OG1-CD 3.37Å; P692-L695 PolarHBondContact O-N 2.84Å; P692-I696 WeakPolarHBondContact O-CD1 3.28Å; P692-I696 WeakPolarHBondContact O-CG1 3.47Å; P692-I696 PolarHBondContact O-N 3.2Å
693	E	98.1	Very high	95.4	Very high	49 Å²	49	70.9 Å²	70.9	23%	0.229	32%	0.315	C	S	.	.	H	α-helix	trans	-58.6	-51.4	173.3	176.2	175.1	-170.9	0	0	111.9	F684 I688 T689 R691 L695 I696 R697	F684-E693 HydrophobicContact CD1-CB 3.92Å; F684-E693 HydrophobicContact CD1-CG 3.63Å; F684-E693 HydrophobicContact CE1-CB 4.18Å; F684-E693 HydrophobicContact CE1-CG 3.86Å; F684-E693 HydrophobicContact CG-CG 4.1Å; F684-E693 HydrophobicContact CZ-CG 4.5Å; I688-E693 HydrophobicContact CG2-CB 4.04Å; T689-E693 WeakPolarHBondContact O-CB 3.37Å; T689-E693 PolarHBondContact O-N 3.01Å; R691-E693 VanDerWaalsContact C-N 3.33Å; E693-L695 VanDerWaalsContact C-N 3.26Å; E693-L695 PolarHBondContact O-N 3.03Å; E693-I696 PolarHBondContact O-N 2.91Å; E693-R697 HydrophobicContact CG-CG 4.36Å; E693-R697 WeakPolarHBondContact O-CG 3.45Å; E693-R697 PolarHBondContact O-N 2.72Å; E693-R697 IonicContact OE1-CZ 2.86Å; E693-R697 IonicContact OE1-NE 3.93Å; E693-R697 PolarHBondContact OE1-NE 3.47Å; E693-R697 IonicContact OE1-NH2 2.99Å; E693-R697 PolarHBondContact OE1-NH2 3.45Å
694	D	98.1	Very high	95.5	Very high	53 Å²	53	64.6 Å²	64.6	28%	0.283	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-40.2	176.7	-176.5	44.1	0	0	0	111.9	R690 K698 H721	R690-D694 VanDerWaalsContact O-CB 3.29Å; R690-D694 WeakPolarHBondContact O-CB 3.47Å; R690-D694 PolarHBondContact O-N 3.05Å; R690-D694 VanDerWaalsContact O-N 3.12Å; D694-K698 WeakPolarHBondContact O-CB 3.49Å; D694-K698 WeakPolarHBondContact O-CD 3.22Å; D694-K698 VanDerWaalsContact O-CG 3.3Å; D694-K698 WeakPolarHBondContact O-CG 3.5Å; D694-K698 PolarHBondContact O-N 3.12Å; D694-K698 VanDerWaalsContact O-N 3.08Å; D694-K698 WeakPolarHBondContact OD1-CE 3.45Å; D694-K698 IonicContact OD1-NZ 3.1Å; D694-K698 PolarHBondContact OD1-NZ 3.25Å; D694-K698 IonicContact OD2-NZ 3.15Å; D694-K698 PolarHBondContact OD2-NZ 3.23Å; D694-H721 IonicContact OD2-CE1 3.84Å; D694-H721 PolarHBondContact OD2-CE1 3.34Å; D694-H721 IonicContact OD2-NE2 3.94Å; D694-H721 PolarHBondContact OD2-NE2 2.89Å
695	L	98.6	Very high	95.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-47.9	175.5	-176.5	52	0	0	0	112.3	L653 R691 P692 E693 R697 K698 L699 L708 H721 W723 F724	L653-L695 HydrophobicContact CD2-CB 4.2Å; L653-L695 HydrophobicContact CD2-CD2 3.63Å; L653-L695 HydrophobicContact CD2-CG 3.9Å; R691-L695 PolarHBondContact O-N 3.49Å; P692-L695 PolarHBondContact O-N 2.84Å; E693-L695 VanDerWaalsContact C-N 3.26Å; E693-L695 PolarHBondContact O-N 3.03Å; L695-R697 VanDerWaalsContact C-N 3.33Å; L695-R697 PolarHBondContact O-N 3.4Å; L695-K698 PolarHBondContact O-N 2.84Å; L695-L699 HydrophobicContact CD1-CD1 3.8Å; L695-L699 HydrophobicContact CD1-CG 3.94Å; L695-L699 HydrophobicContact CG-CD1 3.79Å; L695-L699 HydrophobicContact CG-CG 4.37Å; L695-L699 WeakPolarHBondContact O-CB 3.4Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.41Å; L695-L699 PolarHBondContact O-N 3.39Å; L695-L708 HydrophobicContact CD1-CD2 3.52Å; L695-H721 HydrophobicContact CD1-CB 4.17Å; L695-W723 HydrophobicContact CD2-CB 4.24Å; L695-W723 HydrophobicContact CD2-CD2 4.09Å; L695-W723 HydrophobicContact CD2-CE3 3.39Å; L695-W723 HydrophobicContact CD2-CG 4.47Å; L695-W723 HydrophobicContact CD2-CZ3 4.03Å; L695-F724 HydrophobicContact CD2-CD2 4.45Å; L695-F724 HydrophobicContact CD2-CE2 3.95Å
696	I	98.7	Very high	94.9	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-43.6	178.8	-65.3	158.2	0	0	0	110.1	L653 F654 I679 F684 I688 P692 E693 K698 L699 C700	L653-I696 HydrophobicContact CB-CG1 4.07Å; L653-I696 HydrophobicContact CD2-CD1 4.44Å; L653-I696 HydrophobicContact CD2-CG1 3.84Å; L653-I696 HydrophobicContact CG-CD1 4.03Å; L653-I696 HydrophobicContact CG-CG1 3.79Å; F654-I696 HydrophobicContact CB-CD1 3.98Å; F654-I696 HydrophobicContact CB-CG2 4.38Å; F654-I696 HydrophobicContact CD2-CD1 4.22Å; I679-I696 HydrophobicContact CD1-CG2 4.3Å; I679-I696 HydrophobicContact CG1-CG2 4.32Å; F684-I696 HydrophobicContact CE1-CB 4.03Å; F684-I696 HydrophobicContact CE1-CD1 3.88Å; F684-I696 HydrophobicContact CE1-CG2 3.95Å; F684-I696 HydrophobicContact CZ-CB 4.21Å; F684-I696 HydrophobicContact CZ-CG2 3.74Å; I688-I696 HydrophobicContact CD1-CD1 4.25Å; I688-I696 HydrophobicContact CG2-CD1 4.26Å; P692-I696 WeakPolarHBondContact O-CD1 3.28Å; P692-I696 WeakPolarHBondContact O-CG1 3.47Å; P692-I696 PolarHBondContact O-N 3.2Å; E693-I696 PolarHBondContact O-N 2.91Å; I696-K698 VanDerWaalsContact C-N 3.33Å; I696-K698 PolarHBondContact O-N 3.46Å; I696-L699 PolarHBondContact O-N 2.78Å; I696-C700 VanDerWaalsContact O-CB 3.29Å; I696-C700 WeakPolarHBondContact O-CB 3.09Å; I696-C700 PolarHBondContact O-N 3.26Å
697	R	98.1	Very high	95.1	Very high	67 Å²	67	53.7 Å²	53.7	25%	0.253	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-36	178.5	-69.4	-175.9	-175.5	-69.6	1.5	112.5	I679 M682 F684 E693 L695 R701	I679-R697 HydrophobicContact CG1-CG 4.49Å; I679-R697 HydrophobicContact CG2-CG 4.45Å; I679-R697 PolarHBondContact O-NH1 2.65Å; M682-R697 PolarHBondContact O-NH2 2.94Å; F684-R697 HydrophobicContact CZ-CG 4.23Å; E693-R697 HydrophobicContact CG-CG 4.36Å; E693-R697 WeakPolarHBondContact O-CG 3.45Å; E693-R697 PolarHBondContact O-N 2.72Å; E693-R697 IonicContact OE1-CZ 2.86Å; E693-R697 IonicContact OE1-NE 3.93Å; E693-R697 PolarHBondContact OE1-NE 3.47Å; E693-R697 IonicContact OE1-NH2 2.99Å; E693-R697 PolarHBondContact OE1-NH2 3.45Å; L695-R697 VanDerWaalsContact C-N 3.33Å; L695-R697 PolarHBondContact O-N 3.4Å; R697-R701 PolarHBondContact O-N 3.28Å
698	K	97.7	Very high	95.2	Very high	76 Å²	76	49.7 Å²	49.7	33%	0.33	21%	0.214	S	C	.	.	H	α-helix	trans	-78.2	-29	177.2	-75	168.8	171.6	154.4	0	114.3	D694 L695 I696 L708	D694-K698 WeakPolarHBondContact O-CB 3.49Å; D694-K698 WeakPolarHBondContact O-CD 3.22Å; D694-K698 VanDerWaalsContact O-CG 3.3Å; D694-K698 WeakPolarHBondContact O-CG 3.5Å; D694-K698 PolarHBondContact O-N 3.12Å; D694-K698 VanDerWaalsContact O-N 3.08Å; D694-K698 WeakPolarHBondContact OD1-CE 3.45Å; D694-K698 IonicContact OD1-NZ 3.1Å; D694-K698 PolarHBondContact OD1-NZ 3.25Å; D694-K698 IonicContact OD2-NZ 3.15Å; D694-K698 PolarHBondContact OD2-NZ 3.23Å; L695-K698 PolarHBondContact O-N 2.84Å; I696-K698 VanDerWaalsContact C-N 3.33Å; I696-K698 PolarHBondContact O-N 3.46Å; K698-L708 HydrophobicContact CB-CB 4.07Å; K698-L708 HydrophobicContact CB-CD2 4.4Å; K698-L708 PolarHBondContact O-N 2.92Å
699	L	98.5	Very high	95.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.8	-41.2	170.9	-72.6	170.7	0	0	0	111.3	F646 L649 L695 I696 R701 R707 L708 I718	F646-L699 HydrophobicContact CB-CD2 4.15Å; L649-L699 HydrophobicContact CB-CD1 4.37Å; L649-L699 HydrophobicContact CD2-CD1 4.41Å; L649-L699 HydrophobicContact CD2-CD2 4.38Å; L649-L699 HydrophobicContact CG-CD1 4.34Å; L695-L699 HydrophobicContact CD1-CD1 3.8Å; L695-L699 HydrophobicContact CD1-CG 3.94Å; L695-L699 HydrophobicContact CG-CD1 3.79Å; L695-L699 HydrophobicContact CG-CG 4.37Å; L695-L699 WeakPolarHBondContact O-CB 3.4Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.41Å; L695-L699 PolarHBondContact O-N 3.39Å; I696-L699 PolarHBondContact O-N 2.78Å; L699-R701 VanDerWaalsContact C-N 3.34Å; L699-R701 PolarHBondContact O-N 3.28Å; L699-R707 WeakPolarHBondContact O-CD 3.31Å; L699-R707 WeakPolarHBondContact O-CG 3.33Å; L699-L708 HydrophobicContact CD2-CB 4.36Å; L699-I718 HydrophobicContact CD2-CD1 3.6Å; L699-I718 HydrophobicContact CD2-CG1 3.98Å
700	C	98.1	Very high	94.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-93.8	35.1	-178.6	-60.1	0	0	0	0	113.7	W647 I679 I696	W647-C700 HydrophobicContact CD2-CB 4.43Å; W647-C700 HydrophobicContact CE3-CB 3.95Å; W647-C700 HydrophobicContact CH2-CB 4.26Å; W647-C700 HydrophobicContact CZ3-CB 3.87Å; W647-C700 VanDerWaalsContact CZ3-O 3.22Å; W647-C700 WeakPolarHBondContact CZ3-O 3.25Å; I679-C700 HydrophobicContact CB-CB 3.97Å; I679-C700 HydrophobicContact CG1-CB 4.21Å; I679-C700 HydrophobicContact CG2-CB 3.96Å; I679-C700 VanDerWaalsContact CG2-O 3.29Å; I679-C700 WeakPolarHBondContact CG2-O 3.27Å; I696-C700 VanDerWaalsContact O-CB 3.29Å; I696-C700 WeakPolarHBondContact O-CB 3.09Å; I696-C700 PolarHBondContact O-N 3.26Å
701	R	95.6	Very high	94.4	Very high	90 Å²	90	37.2 Å²	37.2	34%	0.34	16%	0.163	S	C	.	.			trans	-62.6	142	166.4	-77.1	-64.8	-157.2	-176	11	110.1	E680 R697 L699 E706 R707	E680-R701 IonicContact OE1-CZ 2.67Å; E680-R701 IonicContact OE1-NH1 3.81Å; E680-R701 PolarHBondContact OE1-NH1 2.83Å; R697-R701 PolarHBondContact O-N 3.28Å; L699-R701 VanDerWaalsContact C-N 3.34Å; L699-R701 PolarHBondContact O-N 3.28Å; R701-E706 HydrophobicContact CB-CB 4Å; R701-E706 HydrophobicContact CG-CB 4.03Å; R701-E706 IonicContact NE-OE2 3Å; R701-R707 HydrophobicContact CB-CG 3.93Å; R701-R707 PolarHBondContact O-NE 3.39Å; R701-R707 PolarHBondContact O-NH2 3.06Å
702	R	91.3	Very high	93.6	Very high	110 Å²	110	33.8 Å²	33.8	42%	0.415	15%	0.152	S	C	.	.	S	Bend	trans	-70.3	-49	-176.7	-76.9	-176.6	-84.4	159.6	3.1	111.3	E680 R707	E680-R702 IonicContact OE2-CZ 2.72Å; E680-R702 VanDerWaalsContact OE2-CZ 3.31Å; E680-R702 IonicContact OE2-NE 2.89Å; E680-R702 PolarHBondContact OE2-NE 3.21Å; E680-R702 VanDerWaalsContact OE2-NE 3.11Å; E680-R702 IonicContact OE2-NH2 2.62Å; E680-R702 PolarHBondContact OE2-NH2 2.75Å; R702-R707 PolarHBondContact O-NH2 3.26Å; R702-R707 VanDerWaalsContact O-NH2 3.09Å
703	N	88.6	Confident	92.8	Very high	38 Å²	38	37.3 Å²	37.3	20%	0.203	17%	0.171	C	C	.	.	S	Bend	trans	-62	128.3	167.2	-176.9	-8.7	0	0	0	109.9	A705 E706	N703-A705 VanDerWaalsContact C-N 3.3Å; N703-A705 PolarHBondContact O-N 2.84Å; N703-A705 PolarHBondContact OD1-N 3.09Å; N703-E706 HydrophobicContact CB-CB 4.27Å; N703-E706 VanDerWaalsContact CB-CD 3.47Å; N703-E706 HydrophobicContact CB-CG 3.99Å; N703-E706 WeakPolarHBondContact CB-OE1 3.22Å; N703-E706 PolarHBondContact ND2-OE1 3.44Å
704	P	91.7	Very high	92.3	Very high	23 Å²	23	36 Å²	36	15%	0.149	17%	0.17	C	C	.	.	S	Bend	trans	-68.9	-23.9	178.6	-17.4	31.5	0	0	0	114.4	E633 S643 N710	E633-P704 HydrophobicContact CB-CG 4.09Å; E633-P704 HydrophobicContact CG-CG 3.93Å; S643-P704 WeakPolarHBondContact OG-CB 3.15Å; P704-N710 PolarHBondContact O-ND2 2.83Å
705	A	86.1	Confident	92.1	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-34.3	-177.7	0	0	0	0	0	113.1	C315 N703 R707 L711	C315-A705 WeakPolarHBondContact SG-CB 3.36Å; N703-A705 VanDerWaalsContact C-N 3.3Å; N703-A705 PolarHBondContact O-N 2.84Å; N703-A705 PolarHBondContact OD1-N 3.09Å; A705-R707 PolarHBondContact O-N 3.29Å; A705-L711 VanDerWaalsContact O-CD2 3.29Å; A705-L711 WeakPolarHBondContact O-CD2 3.37Å
706	E	88.8	Confident	91.8	Very high	74 Å²	74	37.2 Å²	37.2	35%	0.346	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.7	173.5	-69.6	163.7	-135.4	0	0	114.3	R701 N703 L708	R701-E706 HydrophobicContact CB-CB 4Å; R701-E706 HydrophobicContact CG-CB 4.03Å; R701-E706 IonicContact NE-OE2 3Å; N703-E706 HydrophobicContact CB-CB 4.27Å; N703-E706 VanDerWaalsContact CB-CD 3.47Å; N703-E706 HydrophobicContact CB-CG 3.99Å; N703-E706 WeakPolarHBondContact CB-OE1 3.22Å; N703-E706 PolarHBondContact ND2-OE1 3.44Å; E706-L708 PolarHBondContact O-N 3.32Å
707	R	94.8	Very high	91.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-71.5	131	-174.1	-69.3	-178.3	-166.7	147.1	15.7	111.6	E633 S643 L699 R701 R702 A705 G709 N710 L711	E633-R707 IonicContact OE1-CZ 3.65Å; E633-R707 IonicContact OE1-NH1 2.76Å; E633-R707 PolarHBondContact OE1-NH1 2.88Å; E633-R707 IonicContact OE1-NH2 3.17Å; E633-R707 PolarHBondContact OE1-NH2 2.73Å; E633-R707 IonicContact OE2-CZ 2.77Å; E633-R707 IonicContact OE2-NH1 3.84Å; E633-R707 PolarHBondContact OE2-NH1 2.93Å; E633-R707 IonicContact OE2-NH2 3.38Å; E633-R707 PolarHBondContact OE2-NH2 3.25Å; S643-R707 WeakPolarHBondContact O-CD 3.45Å; S643-R707 PolarHBondContact O-NH1 2.89Å; L699-R707 WeakPolarHBondContact O-CD 3.31Å; L699-R707 WeakPolarHBondContact O-CG 3.33Å; R701-R707 HydrophobicContact CB-CG 3.93Å; R701-R707 PolarHBondContact O-NE 3.39Å; R701-R707 PolarHBondContact O-NH2 3.06Å; R702-R707 PolarHBondContact O-NH2 3.26Å; R702-R707 VanDerWaalsContact O-NH2 3.09Å; A705-R707 PolarHBondContact O-N 3.29Å; R707-G709 PolarHBondContact O-N 3.33Å; R707-N710 HydrophobicContact CB-CB 4.48Å; R707-N710 PolarHBondContact O-N 3.31Å; R707-L711 WeakPolarHBondContact O-CD2 3.4Å; R707-L711 PolarHBondContact O-N 2.97Å
708	L	95	Very high	91.4	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.089	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	130.7	167.2	-158.2	73.4	0	0	0	109.2	L695 K698 L699 E706 L711 D717 I718 H721	L695-L708 HydrophobicContact CD1-CD2 3.52Å; K698-L708 HydrophobicContact CB-CB 4.07Å; K698-L708 HydrophobicContact CB-CD2 4.4Å; K698-L708 PolarHBondContact O-N 2.92Å; L699-L708 HydrophobicContact CD2-CB 4.36Å; E706-L708 PolarHBondContact O-N 3.32Å; L708-L711 HydrophobicContact CD1-CD1 4.11Å; L708-D717 HydrophobicContact CD1-CB 3.7Å; L708-D717 HydrophobicContact CG-CB 4.25Å; L708-I718 HydrophobicContact CB-CG1 4.29Å; L708-I718 HydrophobicContact CD2-CG1 4.02Å; L708-I718 HydrophobicContact CG-CG1 3.87Å; L708-H721 HydrophobicContact CD2-CB 4.29Å
709	G	92.1	Very high	91.3	Very high	4 Å²	4	33.2 Å²	33.2	4%	0.041	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-28.6	-170.1	0	0	0	0	0	114.6	F646 R707 G714 I715	F646-G709 WeakPolarHBondContact CE2-O 3.09Å; F646-G709 WeakPolarHBondContact CZ-O 3.42Å; R707-G709 PolarHBondContact O-N 3.33Å; G709-G714 WeakPolarHBondContact CA-O 3.5Å; G709-G714 CarbonylContact O-C 3.59Å; G709-G714 WeakPolarHBondContact O-CA 3.32Å; G709-I715 PolarHBondContact O-N 2.9Å
710	N	90.8	Very high	91	Very high	16 Å²	16	40 Å²	40	9%	0.086	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.3	173.5	-163.1	27.5	0	0	0	113.4	K311 F646 P704 R707	K311-N710 PolarHBondContact NZ-O 3.32Å; F646-N710 HydrophobicContact CD2-CB 4.31Å; F646-N710 HydrophobicContact CE2-CB 4.44Å; P704-N710 PolarHBondContact O-ND2 2.83Å; R707-N710 HydrophobicContact CB-CB 4.48Å; R707-N710 PolarHBondContact O-N 3.31Å
711	L	87.8	Confident	91	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	20%	0.197	C	C	.	.	S	Bend	trans	-67.3	-175.7	175.5	-47.1	-170.3	0	0	0	112.3	K311 H403 A705 R707 L708 N713 G714	K311-L711 PolarHBondContact NZ-O 3.13Å; H403-L711 HydrophobicContact CB-CD1 4.34Å; H403-L711 HydrophobicContact CB-CD2 4.19Å; H403-L711 CarbonylContact O-C 3.03Å; H403-L711 WeakPolarHBondContact O-CA 3.33Å; H403-L711 WeakPolarHBondContact O-CB 3.48Å; A705-L711 VanDerWaalsContact O-CD2 3.29Å; A705-L711 WeakPolarHBondContact O-CD2 3.37Å; R707-L711 WeakPolarHBondContact O-CD2 3.4Å; R707-L711 PolarHBondContact O-N 2.97Å; L708-L711 HydrophobicContact CD1-CD1 4.11Å; L711-N713 PolarHBondContact O-N 3.01Å; L711-G714 WeakPolarHBondContact O-CA 3.47Å; L711-G714 PolarHBondContact O-N 2.82Å
712	K	80.4	Confident	91	Very high	76 Å²	76	45.1 Å²	45.1	33%	0.33	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34	-173.1	63.8	171.4	165.9	-159.3	0	115.2	D402 H403 E410 G714	D402-K712 WeakPolarHBondContact O-CD 3.46Å; D402-K712 WeakPolarHBondContact O-CE 3.32Å; D402-K712 PolarHBondContact O-NZ 3.05Å; H403-K712 WeakPolarHBondContact O-CB 3.44Å; H403-K712 PolarHBondContact O-N 3.5Å; E410-K712 IonicContact OE2-NZ 3.22Å; K712-G714 VanDerWaalsContact C-N 3.27Å
713	N	80.8	Confident	91.3	Very high	75 Å²	75	40 Å²	40	40%	0.401	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.9	174	-39.6	-68.2	0	0	0	112.1	L711 T716 D717	L711-N713 PolarHBondContact O-N 3.01Å; N713-T716 WeakPolarHBondContact O-CB 3.31Å; N713-T716 PolarHBondContact O-N 3.4Å; N713-T716 PolarHBondContact O-OG1 2.89Å; N713-D717 WeakPolarHBondContact CB-OD1 3.43Å; N713-D717 VanDerWaalsContact CB-OD2 3.29Å; N713-D717 WeakPolarHBondContact CB-OD2 3.34Å; N713-D717 PolarHBondContact N-OD2 3.06Å; N713-D717 PolarHBondContact ND2-OD1 3.32Å; N713-D717 PolarHBondContact ND2-OD2 3.29Å
714	G	87.3	Confident	91.7	Very high	20 Å²	20	38.4 Å²	38.4	21%	0.206	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-138.5	-178.2	0	0	0	0	0	112.7	G709 L711 K712 T716 D717	G709-G714 WeakPolarHBondContact CA-O 3.5Å; G709-G714 CarbonylContact O-C 3.59Å; G709-G714 WeakPolarHBondContact O-CA 3.32Å; L711-G714 WeakPolarHBondContact O-CA 3.47Å; L711-G714 PolarHBondContact O-N 2.82Å; K712-G714 VanDerWaalsContact C-N 3.27Å; G714-T716 PolarHBondContact O-N 3.28Å; G714-D717 PolarHBondContact O-N 3.42Å
715	I	92.9	Very high	91.7	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.097	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-17.2	179.5	-160.1	164.4	0	0	0	114.1	T574 F577 E578 F646 G709 D717 I718 K719	T574-I715 HydrophobicContact CG2-CD1 3.72Å; T574-I715 HydrophobicContact CG2-CG1 3.65Å; T574-I715 WeakPolarHBondContact O-CD1 3.25Å; F577-I715 HydrophobicContact CB-CD1 3.78Å; E578-I715 HydrophobicContact CB-CD1 4.05Å; E578-I715 HydrophobicContact CB-CG2 3.91Å; E578-I715 HydrophobicContact CG-CG2 3.86Å; F646-I715 HydrophobicContact CE1-CB 4.31Å; F646-I715 HydrophobicContact CE1-CD1 3.89Å; F646-I715 HydrophobicContact CE1-CG1 4.01Å; F646-I715 HydrophobicContact CZ-CB 4.35Å; G709-I715 PolarHBondContact O-N 2.9Å; I715-D717 PolarHBondContact O-N 2.98Å; I715-I718 HydrophobicContact CG1-CD1 4.26Å; I715-I718 WeakPolarHBondContact O-CB 3.34Å; I715-I718 PolarHBondContact O-N 2.82Å; I715-I718 VanDerWaalsContact O-N 3.13Å; I715-K719 PolarHBondContact O-N 2.9Å
716	T	92.3	Very high	91.7	Very high	61 Å²	61	46.2 Å²	46.2	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-33.1	172.9	-40.8	0	0	0	0	112.2	N713 G714 I718 K719 K720	N713-T716 WeakPolarHBondContact O-CB 3.31Å; N713-T716 PolarHBondContact O-N 3.4Å; N713-T716 PolarHBondContact O-OG1 2.89Å; G714-T716 PolarHBondContact O-N 3.28Å; T716-I718 VanDerWaalsContact C-N 3.3Å; T716-I718 PolarHBondContact O-N 2.75Å; T716-K719 PolarHBondContact O-N 3.5Å; T716-K720 HydrophobicContact CG2-CD 4.07Å; T716-K720 HydrophobicContact CG2-CG 4.4Å; T716-K720 WeakPolarHBondContact O-CB 3.36Å; T716-K720 WeakPolarHBondContact O-CG 3.18Å; T716-K720 PolarHBondContact O-N 2.91Å
717	D	92.3	Very high	92	Very high	26 Å²	26	44.3 Å²	44.3	14%	0.139	24%	0.237	C	C	.	.	H	α-helix	trans	-71.9	-26.3	-179.9	-65.5	-41.5	0	0	0	112.3	L708 N713 G714 I715 H721	L708-D717 HydrophobicContact CD1-CB 3.7Å; L708-D717 HydrophobicContact CG-CB 4.25Å; N713-D717 WeakPolarHBondContact CB-OD1 3.43Å; N713-D717 VanDerWaalsContact CB-OD2 3.29Å; N713-D717 WeakPolarHBondContact CB-OD2 3.34Å; N713-D717 PolarHBondContact N-OD2 3.06Å; N713-D717 PolarHBondContact ND2-OD1 3.32Å; N713-D717 PolarHBondContact ND2-OD2 3.29Å; G714-D717 PolarHBondContact O-N 3.42Å; I715-D717 PolarHBondContact O-N 2.98Å; D717-H721 PolarHBondContact O-N 3.12Å
718	I	97.4	Very high	91.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.8	-48.4	167.7	-61.4	172.6	0	0	0	109.5	T574 F646 L649 L699 L708 I715 T716 K720 H721 F724	T574-I718 HydrophobicContact CG2-CG2 4.31Å; F646-I718 HydrophobicContact CD1-CD1 3.54Å; F646-I718 HydrophobicContact CE1-CD1 3.94Å; F646-I718 HydrophobicContact CG-CD1 4.19Å; L649-I718 HydrophobicContact CD2-CD1 4.14Å; L649-I718 HydrophobicContact CD2-CG2 4.39Å; L699-I718 HydrophobicContact CD2-CD1 3.6Å; L699-I718 HydrophobicContact CD2-CG1 3.98Å; L708-I718 HydrophobicContact CB-CG1 4.29Å; L708-I718 HydrophobicContact CD2-CG1 4.02Å; L708-I718 HydrophobicContact CG-CG1 3.87Å; I715-I718 HydrophobicContact CG1-CD1 4.26Å; I715-I718 WeakPolarHBondContact O-CB 3.34Å; I715-I718 PolarHBondContact O-N 2.82Å; I715-I718 VanDerWaalsContact O-N 3.13Å; T716-I718 VanDerWaalsContact C-N 3.3Å; T716-I718 PolarHBondContact O-N 2.75Å; I718-K720 VanDerWaalsContact C-N 3.27Å; I718-K720 PolarHBondContact O-N 3.49Å; I718-H721 WeakPolarHBondContact O-CB 3.39Å; I718-H721 PolarHBondContact O-N 3.3Å; I718-F724 HydrophobicContact CG2-CE2 4.08Å; I718-F724 VanDerWaalsContact O-CD2 3.3Å; I718-F724 WeakPolarHBondContact O-CD2 3.46Å
719	K	95.1	Very high	91.8	Very high	33 Å²	33	49 Å²	49	14%	0.143	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-33	-179.6	-63.9	-163.6	-179.3	-177.9	0	113.7	T574 E575 E578 I715 T716 W729	T574-K719 HydrophobicContact CG2-CG 3.96Å; E575-K719 VanDerWaalsContact CD-NZ 3.32Å; E575-K719 WeakPolarHBondContact OE1-CE 3.36Å; E575-K719 IonicContact OE1-NZ 3.46Å; E575-K719 PolarHBondContact OE1-NZ 3.18Å; E575-K719 IonicContact OE2-NZ 2.75Å; E575-K719 PolarHBondContact OE2-NZ 3.05Å; E578-K719 VanDerWaalsContact OE2-CE 3.23Å; E578-K719 WeakPolarHBondContact OE2-CE 2.94Å; E578-K719 IonicContact OE2-NZ 3.93Å; E578-K719 PolarHBondContact OE2-NZ 3.05Å; I715-K719 PolarHBondContact O-N 2.9Å; T716-K719 PolarHBondContact O-N 3.5Å; K719-W729 HydrophobicContact CB-CD2 4.28Å; K719-W729 HydrophobicContact CB-CZ2 3.86Å; K719-W729 HydrophobicContact CD-CD2 3.87Å; K719-W729 HydrophobicContact CD-CE3 3.88Å; K719-W729 HydrophobicContact CD-CG 4.37Å; K719-W729 HydrophobicContact CD-CH2 4.45Å; K719-W729 HydrophobicContact CD-CZ2 4.43Å; K719-W729 HydrophobicContact CD-CZ3 4.17Å; K719-W729 HydrophobicContact CG-CD2 4.04Å; K719-W729 HydrophobicContact CG-CE3 4.17Å; K719-W729 HydrophobicContact CG-CH2 3.86Å; K719-W729 HydrophobicContact CG-CZ2 3.7Å; K719-W729 HydrophobicContact CG-CZ3 4.09Å; K719-W729 PolarHBondContact O-NE1 2.86Å
720	K	92.9	Very high	91.7	Very high	141 Å²	141	54.6 Å²	54.6	61%	0.613	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-4	176.5	-71.5	174	176.7	173	0	114.1	T716 I718	T716-K720 HydrophobicContact CG2-CD 4.07Å; T716-K720 HydrophobicContact CG2-CG 4.4Å; T716-K720 WeakPolarHBondContact O-CB 3.36Å; T716-K720 WeakPolarHBondContact O-CG 3.18Å; T716-K720 PolarHBondContact O-N 2.91Å; I718-K720 VanDerWaalsContact C-N 3.27Å; I718-K720 PolarHBondContact O-N 3.49Å
721	H	97.5	Very high	91.8	Very high	14 Å²	14	54 Å²	54	7%	0.065	28%	0.282	C	S	.	.	S	Bend	trans	-62.8	143.9	-176.2	-168.2	-97.3	0	0	0	112.1	D694 L695 L708 D717 I718 W723 F724	D694-H721 IonicContact OD2-CE1 3.84Å; D694-H721 PolarHBondContact OD2-CE1 3.34Å; D694-H721 IonicContact OD2-NE2 3.94Å; D694-H721 PolarHBondContact OD2-NE2 2.89Å; L695-H721 HydrophobicContact CD1-CB 4.17Å; L708-H721 HydrophobicContact CD2-CB 4.29Å; D717-H721 PolarHBondContact O-N 3.12Å; I718-H721 WeakPolarHBondContact O-CB 3.39Å; I718-H721 PolarHBondContact O-N 3.3Å; H721-W723 PolarHBondContact ND1-N 3.46Å; H721-W723 PolarHBondContact O-N 3.05Å; H721-F724 HydrophobicContact CB-CD2 4.46Å; H721-F724 PolarHBondContact O-N 3.07Å
722	R	95.1	Very high	92.1	Very high	184 Å²	184	53.3 Å²	53.3	69%	0.694	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.1	-175.5	-70.6	-178.2	176.2	179.1	-1	115	N725	R722-N725 WeakPolarHBondContact CA-OD1 3.38Å
723	W	97.8	Very high	92.6	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.008	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-35.5	171.8	-172.4	57.7	0	0	0	112.9	E563 A566 K567 V570 L653 R691 L695 H721 N725	E563-W723 PolarHBondContact OE2-NE1 2.81Å; A566-W723 HydrophobicContact CB-CH2 4.44Å; A566-W723 HydrophobicContact CB-CZ2 4.46Å; K567-W723 HydrophobicContact CB-CH2 3.65Å; K567-W723 HydrophobicContact CB-CZ2 3.78Å; K567-W723 HydrophobicContact CB-CZ3 4.12Å; K567-W723 WeakPolarHBondContact CE-O 3.48Å; K567-W723 HydrophobicContact CG-CE3 4.26Å; K567-W723 HydrophobicContact CG-CH2 4.07Å; K567-W723 HydrophobicContact CG-CZ2 4.3Å; K567-W723 HydrophobicContact CG-CZ3 4.03Å; K567-W723 PolarHBondContact NZ-O 3.41Å; V570-W723 HydrophobicContact CB-CH2 4.43Å; V570-W723 HydrophobicContact CB-CZ3 4.13Å; V570-W723 HydrophobicContact CG1-CZ3 4.26Å; V570-W723 HydrophobicContact CG2-CH2 4.42Å; V570-W723 HydrophobicContact CG2-CZ3 4.45Å; L653-W723 HydrophobicContact CD1-CH2 3.28Å; L653-W723 HydrophobicContact CD1-CZ2 3.64Å; L653-W723 HydrophobicContact CD1-CZ3 3.94Å; L653-W723 HydrophobicContact CD2-CE3 4.28Å; L653-W723 HydrophobicContact CD2-CH2 4.15Å; L653-W723 HydrophobicContact CD2-CZ3 3.99Å; L653-W723 HydrophobicContact CG-CH2 4.38Å; R691-W723 HydrophobicContact CB-CB 4.2Å; R691-W723 HydrophobicContact CB-CG 4.43Å; L695-W723 HydrophobicContact CD2-CB 4.24Å; L695-W723 HydrophobicContact CD2-CD2 4.09Å; L695-W723 HydrophobicContact CD2-CE3 3.39Å; L695-W723 HydrophobicContact CD2-CG 4.47Å; L695-W723 HydrophobicContact CD2-CZ3 4.03Å; H721-W723 PolarHBondContact ND1-N 3.46Å; H721-W723 PolarHBondContact O-N 3.05Å; W723-N725 VanDerWaalsContact C-N 3.3Å; W723-N725 PolarHBondContact O-N 3.06Å
724	F	96.6	Very high	93.1	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.026	29%	0.286	C	S	.	.	S	Bend	trans	-84.9	7.4	177.4	-71.9	-74.8	0	0	0	114.1	K567 V570 L695 I718 H721 G726 F727 W729	K567-F724 HydrophobicContact CD-CD1 4.07Å; K567-F724 HydrophobicContact CG-CD1 3.61Å; K567-F724 HydrophobicContact CG-CE1 3.56Å; V570-F724 HydrophobicContact CB-CZ 4.34Å; V570-F724 HydrophobicContact CG1-CZ 3.88Å; L695-F724 HydrophobicContact CD2-CD2 4.45Å; L695-F724 HydrophobicContact CD2-CE2 3.95Å; I718-F724 HydrophobicContact CG2-CE2 4.08Å; I718-F724 VanDerWaalsContact O-CD2 3.3Å; I718-F724 WeakPolarHBondContact O-CD2 3.46Å; H721-F724 HydrophobicContact CB-CD2 4.46Å; H721-F724 PolarHBondContact O-N 3.07Å; F724-G726 PolarHBondContact O-N 3.22Å; F724-F727 HydrophobicContact CB-CB 4.25Å; F724-F727 HydrophobicContact CD1-CB 4.05Å; F724-F727 AromaticContact CD1-CD1 3.92Å; F724-F727 HydrophobicContact CD1-CD1 3.92Å; F724-F727 HydrophobicContact CD1-CE1 4.5Å; F724-F727 AromaticContact CD1-CG 3.92Å; F724-F727 HydrophobicContact CD1-CG 3.92Å; F724-F727 HydrophobicContact CE1-CD1 4.4Å; F724-F727 WeakPolarHBondContact O-CB 3.46Å; F724-F727 PolarHBondContact O-N 2.8Å; F724-W729 HydrophobicContact CB-CZ2 4.19Å; F724-W729 HydrophobicContact CD1-CH2 4.08Å; F724-W729 AromaticContact CD1-CZ2 3.38Å; F724-W729 HydrophobicContact CD1-CZ2 3.38Å; F724-W729 AromaticContact CD2-CZ2 3.86Å; F724-W729 HydrophobicContact CD2-CZ2 3.86Å; F724-W729 AromaticContact CE1-CH2 3.72Å; F724-W729 HydrophobicContact CE1-CH2 3.72Å; F724-W729 AromaticContact CE1-CZ2 3.51Å; F724-W729 HydrophobicContact CE1-CZ2 3.51Å; F724-W729 HydrophobicContact CE2-CH2 4.31Å; F724-W729 AromaticContact CE2-CZ2 3.97Å; F724-W729 HydrophobicContact CE2-CZ2 3.97Å; F724-W729 AromaticContact CG-CZ2 3.56Å; F724-W729 HydrophobicContact CG-CZ2 3.56Å; F724-W729 AromaticContact CZ-CH2 3.84Å; F724-W729 HydrophobicContact CZ-CH2 3.84Å; F724-W729 AromaticContact CZ-CZ2 3.8Å; F724-W729 HydrophobicContact CZ-CZ2 3.8Å
725	N	91.1	Very high	93.4	Very high	102 Å²	102	55.9 Å²	55.9	55%	0.545	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	124.8	171.9	-80.2	22.4	0	0	0	110.9	R722 W723 F727	R722-N725 WeakPolarHBondContact CA-OD1 3.38Å; W723-N725 VanDerWaalsContact C-N 3.3Å; W723-N725 PolarHBondContact O-N 3.06Å; N725-F727 VanDerWaalsContact C-N 3.32Å
726	G	86.6	Confident	93.5	Very high	87 Å²	87	59.9 Å²	59.9	90%	0.897	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	2.3	-177.4	0	0	0	0	0	115.5	F724	F724-G726 PolarHBondContact O-N 3.22Å
727	F	94.7	Very high	93.6	Very high	33 Å²	33	58.7 Å²	58.7	15%	0.145	31%	0.308	C	S	.	.			trans	-80.9	126.6	177.6	-172	-101	0	0	0	111.4	K567 F724 N725 W729 L732 L737	K567-F727 HydrophobicContact CD-CB 4.3Å; K567-F727 HydrophobicContact CD-CD2 3.83Å; K567-F727 HydrophobicContact CD-CG 4.32Å; K567-F727 HydrophobicContact CG-CD2 3.82Å; K567-F727 HydrophobicContact CG-CE2 4.12Å; K567-F727 HydrophobicContact CG-CG 4.39Å; F724-F727 HydrophobicContact CB-CB 4.25Å; F724-F727 HydrophobicContact CD1-CB 4.05Å; F724-F727 AromaticContact CD1-CD1 3.92Å; F724-F727 HydrophobicContact CD1-CD1 3.92Å; F724-F727 HydrophobicContact CD1-CE1 4.5Å; F724-F727 AromaticContact CD1-CG 3.92Å; F724-F727 HydrophobicContact CD1-CG 3.92Å; F724-F727 HydrophobicContact CE1-CD1 4.4Å; F724-F727 WeakPolarHBondContact O-CB 3.46Å; F724-F727 PolarHBondContact O-N 2.8Å; N725-F727 VanDerWaalsContact C-N 3.32Å; F727-W729 AromaticContact CD1-CD2 3.7Å; F727-W729 HydrophobicContact CD1-CD2 3.7Å; F727-W729 AromaticContact CD1-CE2 3.66Å; F727-W729 HydrophobicContact CD1-CE3 4.17Å; F727-W729 AromaticContact CD1-CG 3.98Å; F727-W729 HydrophobicContact CD1-CG 3.98Å; F727-W729 HydrophobicContact CD1-CZ2 4.09Å; F727-W729 AromaticContact CD1-NE1 3.92Å; F727-W729 AromaticContact CE1-CD2 3.9Å; F727-W729 HydrophobicContact CE1-CD2 3.9Å; F727-W729 AromaticContact CE1-CE3 3.88Å; F727-W729 HydrophobicContact CE1-CE3 3.88Å; F727-W729 HydrophobicContact CE1-CG 4.46Å; F727-W729 HydrophobicContact CE1-CH2 4.33Å; F727-W729 HydrophobicContact CE1-CZ2 4.35Å; F727-W729 HydrophobicContact CE1-CZ3 4.1Å; F727-W729 PolarHBondContact O-N 2.73Å; F727-L732 HydrophobicContact CE1-CB 4.35Å; F727-L732 HydrophobicContact CE1-CD2 3.94Å; F727-L732 HydrophobicContact CZ-CB 4.47Å; F727-L732 HydrophobicContact CZ-CD1 4.34Å; F727-L732 HydrophobicContact CZ-CD2 4.06Å; F727-L737 HydrophobicContact CE2-CD2 3.96Å; F727-L737 HydrophobicContact CZ-CD2 3.94Å
728	N	93.1	Very high	93.7	Very high	86 Å²	86	62.7 Å²	62.7	46%	0.46	34%	0.335	S	S	.	.			trans	-83	81.6	-176.8	-173.9	4.1	0	0	0	111.7	E730 G731 L732 L737	N728-E730 PolarHBondContact O-N 2.89Å; N728-G731 PolarHBondContact O-N 3.42Å; N728-G731 PolarHBondContact OD1-N 3.3Å; N728-L732 PolarHBondContact O-N 3.26Å; N728-L737 HydrophobicContact CB-CD1 4.41Å
729	W	93.2	Very high	93.7	Very high	31 Å²	31	63.8 Å²	63.8	12%	0.117	34%	0.343	C	S	.	.	H	α-helix	trans	-57.9	-44.7	178	-73.2	107	0	0	0	113.5	T574 K719 F724 F727 G731 L732 K733	T574-W729 HydrophobicContact CG2-CH2 3.84Å; T574-W729 HydrophobicContact CG2-CZ3 4.06Å; K719-W729 HydrophobicContact CB-CD2 4.28Å; K719-W729 HydrophobicContact CB-CZ2 3.86Å; K719-W729 HydrophobicContact CD-CD2 3.87Å; K719-W729 HydrophobicContact CD-CE3 3.88Å; K719-W729 HydrophobicContact CD-CG 4.37Å; K719-W729 HydrophobicContact CD-CH2 4.45Å; K719-W729 HydrophobicContact CD-CZ2 4.43Å; K719-W729 HydrophobicContact CD-CZ3 4.17Å; K719-W729 HydrophobicContact CG-CD2 4.04Å; K719-W729 HydrophobicContact CG-CE3 4.17Å; K719-W729 HydrophobicContact CG-CH2 3.86Å; K719-W729 HydrophobicContact CG-CZ2 3.7Å; K719-W729 HydrophobicContact CG-CZ3 4.09Å; K719-W729 PolarHBondContact O-NE1 2.86Å; F724-W729 HydrophobicContact CB-CZ2 4.19Å; F724-W729 HydrophobicContact CD1-CH2 4.08Å; F724-W729 AromaticContact CD1-CZ2 3.38Å; F724-W729 HydrophobicContact CD1-CZ2 3.38Å; F724-W729 AromaticContact CD2-CZ2 3.86Å; F724-W729 HydrophobicContact CD2-CZ2 3.86Å; F724-W729 AromaticContact CE1-CH2 3.72Å; F724-W729 HydrophobicContact CE1-CH2 3.72Å; F724-W729 AromaticContact CE1-CZ2 3.51Å; F724-W729 HydrophobicContact CE1-CZ2 3.51Å; F724-W729 HydrophobicContact CE2-CH2 4.31Å; F724-W729 AromaticContact CE2-CZ2 3.97Å; F724-W729 HydrophobicContact CE2-CZ2 3.97Å; F724-W729 AromaticContact CG-CZ2 3.56Å; F724-W729 HydrophobicContact CG-CZ2 3.56Å; F724-W729 AromaticContact CZ-CH2 3.84Å; F724-W729 HydrophobicContact CZ-CH2 3.84Å; F724-W729 AromaticContact CZ-CZ2 3.8Å; F724-W729 HydrophobicContact CZ-CZ2 3.8Å; F727-W729 AromaticContact CD1-CD2 3.7Å; F727-W729 HydrophobicContact CD1-CD2 3.7Å; F727-W729 AromaticContact CD1-CE2 3.66Å; F727-W729 HydrophobicContact CD1-CE3 4.17Å; F727-W729 AromaticContact CD1-CG 3.98Å; F727-W729 HydrophobicContact CD1-CG 3.98Å; F727-W729 HydrophobicContact CD1-CZ2 4.09Å; F727-W729 AromaticContact CD1-NE1 3.92Å; F727-W729 AromaticContact CE1-CD2 3.9Å; F727-W729 HydrophobicContact CE1-CD2 3.9Å; F727-W729 AromaticContact CE1-CE3 3.88Å; F727-W729 HydrophobicContact CE1-CE3 3.88Å; F727-W729 HydrophobicContact CE1-CG 4.46Å; F727-W729 HydrophobicContact CE1-CH2 4.33Å; F727-W729 HydrophobicContact CE1-CZ2 4.35Å; F727-W729 HydrophobicContact CE1-CZ3 4.1Å; F727-W729 PolarHBondContact O-N 2.73Å; W729-G731 PolarHBondContact O-N 2.85Å; W729-L732 HydrophobicContact CE3-CD2 4.26Å; W729-L732 HydrophobicContact CZ3-CD2 4.28Å; W729-L732 WeakPolarHBondContact O-CB 3.17Å; W729-L732 PolarHBondContact O-N 3.48Å; W729-K733 VanDerWaalsContact O-CB 3.29Å; W729-K733 WeakPolarHBondContact O-CB 3.29Å; W729-K733 PolarHBondContact O-N 2.96Å
730	E	90.8	Very high	93.7	Very high	120 Å²	120	64.8 Å²	64.8	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-68.5	-35.4	178.7	-65.3	-56.5	142.4	0	0	111.6	N728 K733 A734	N728-E730 PolarHBondContact O-N 2.89Å; E730-K733 PolarHBondContact O-N 2.61Å; E730-K733 IonicContact OE1-NZ 3.65Å; E730-K733 PolarHBondContact OE1-NZ 2.93Å; E730-K733 VanDerWaalsContact OE1-NZ 3.14Å; E730-K733 IonicContact OE2-NZ 3.2Å; E730-K733 PolarHBondContact OE2-NZ 3.39Å; E730-A734 WeakPolarHBondContact O-CB 3.36Å; E730-A734 PolarHBondContact O-N 3.37Å
731	G	91.4	Very high	93.9	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-36.4	171.8	0	0	0	0	0	113.6	N728 W729 R735 T736 L737	N728-G731 PolarHBondContact O-N 3.42Å; N728-G731 PolarHBondContact OD1-N 3.3Å; W729-G731 PolarHBondContact O-N 2.85Å; G731-R735 CarbonylContact O-C 3.58Å; G731-R735 PolarHBondContact O-N 2.78Å; G731-R735 VanDerWaalsContact O-N 3.13Å; G731-T736 WeakPolarHBondContact CA-OG1 3.44Å; G731-T736 PolarHBondContact O-N 3Å; G731-T736 PolarHBondContact O-OG1 3.26Å; G731-L737 PolarHBondContact O-N 2.95Å
732	L	95.2	Very high	93.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61	-51.8	171.6	-177.9	76.9	0	0	0	110.3	F525 F568 G571 E575 Y602 F727 N728 W729 A734 R735 L737	F525-L732 HydrophobicContact CE1-CD1 4.48Å; F525-L732 HydrophobicContact CE1-CD2 4.47Å; F525-L732 HydrophobicContact CE1-CG 4.16Å; F525-L732 HydrophobicContact CZ-CD2 4.5Å; F525-L732 HydrophobicContact CZ-CG 4.11Å; F568-L732 HydrophobicContact CD2-CD1 3.94Å; F568-L732 HydrophobicContact CE2-CD1 3.59Å; F568-L732 HydrophobicContact CZ-CD1 4.08Å; G571-L732 VanDerWaalsContact C-CD2 3.43Å; E575-L732 HydrophobicContact CG-CD2 3.85Å; Y602-L732 HydrophobicContact CD1-CD1 4.5Å; Y602-L732 HydrophobicContact CE1-CD1 3.74Å; Y602-L732 HydrophobicContact CE1-CG 4.38Å; Y602-L732 WeakPolarHBondContact CE1-O 3.48Å; F727-L732 HydrophobicContact CE1-CB 4.35Å; F727-L732 HydrophobicContact CE1-CD2 3.94Å; F727-L732 HydrophobicContact CZ-CB 4.47Å; F727-L732 HydrophobicContact CZ-CD1 4.34Å; F727-L732 HydrophobicContact CZ-CD2 4.06Å; N728-L732 PolarHBondContact O-N 3.26Å; W729-L732 HydrophobicContact CE3-CD2 4.26Å; W729-L732 HydrophobicContact CZ3-CD2 4.28Å; W729-L732 WeakPolarHBondContact O-CB 3.17Å; W729-L732 PolarHBondContact O-N 3.48Å; L732-A734 PolarHBondContact O-N 3.12Å; L732-R735 WeakPolarHBondContact O-CA 3.47Å; L732-R735 PolarHBondContact O-N 2.88Å; L732-L737 HydrophobicContact CB-CD2 4.03Å; L732-L737 HydrophobicContact CD1-CD2 4.01Å
733	K	90.6	Very high	93.7	Very high	76 Å²	76	59.3 Å²	59.3	33%	0.33	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-33.8	-176.9	-179.1	177.1	162.4	-155.2	0	113.8	W729 E730 R735	W729-K733 VanDerWaalsContact O-CB 3.29Å; W729-K733 WeakPolarHBondContact O-CB 3.29Å; W729-K733 PolarHBondContact O-N 2.96Å; E730-K733 PolarHBondContact O-N 2.61Å; E730-K733 IonicContact OE1-NZ 3.65Å; E730-K733 PolarHBondContact OE1-NZ 2.93Å; E730-K733 VanDerWaalsContact OE1-NZ 3.14Å; E730-K733 IonicContact OE2-NZ 3.2Å; E730-K733 PolarHBondContact OE2-NZ 3.39Å; K733-R735 VanDerWaalsContact C-N 3.27Å
734	A	90.2	Very high	93.5	Very high	67 Å²	67	67.6 Å²	67.6	55%	0.554	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-1.6	170.9	0	0	0	0	0	113.7	E730 L732 T736	E730-A734 WeakPolarHBondContact O-CB 3.36Å; E730-A734 PolarHBondContact O-N 3.37Å; L732-A734 PolarHBondContact O-N 3.12Å; A734-T736 HydrophobicContact CB-CG2 4.32Å; A734-T736 PolarHBondContact O-N 3.22Å
735	R	94.6	Very high	93.3	Very high	82 Å²	82	69.7 Å²	69.7	31%	0.309	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	26.5	-175.3	-61.6	-177.7	61.3	114	-2.8	115.6	D598 Y602 G731 L732 K733	D598-R735 VanDerWaalsContact CG-NH2 3.25Å; D598-R735 IonicContact OD1-CZ 2.82Å; D598-R735 IonicContact OD1-NH2 3.87Å; D598-R735 PolarHBondContact OD1-NH2 2.99Å; D598-R735 IonicContact OD2-CZ 3.44Å; D598-R735 VanDerWaalsContact OD2-CZ 3.27Å; D598-R735 IonicContact OD2-NH1 3.4Å; D598-R735 PolarHBondContact OD2-NH1 3.49Å; D598-R735 IonicContact OD2-NH2 3.13Å; D598-R735 PolarHBondContact OD2-NH2 3.1Å; Y602-R735 VanDerWaalsContact CB-NH1 3.32Å; Y602-R735 HydrophobicContact CD1-CG 4.16Å; Y602-R735 HydrophobicContact CE1-CB 4.32Å; Y602-R735 HydrophobicContact CE1-CG 3.91Å; Y602-R735 HydrophobicContact CE2-CB 4.44Å; Y602-R735 VanDerWaalsContact OH-CA 3.31Å; Y602-R735 WeakPolarHBondContact OH-CA 3.41Å; G731-R735 CarbonylContact O-C 3.58Å; G731-R735 PolarHBondContact O-N 2.78Å; G731-R735 VanDerWaalsContact O-N 3.13Å; L732-R735 WeakPolarHBondContact O-CA 3.47Å; L732-R735 PolarHBondContact O-N 2.88Å; K733-R735 VanDerWaalsContact C-N 3.27Å
736	T	95.3	Very high	93.4	Very high	103 Å²	103	70.1 Å²	70.1	63%	0.632	39%	0.389	S	S	*	.			trans	-98.3	-7.8	176.8	59.3	0	0	0	0	113.9	G731 A734	G731-T736 WeakPolarHBondContact CA-OG1 3.44Å; G731-T736 PolarHBondContact O-N 3Å; G731-T736 PolarHBondContact O-OG1 3.26Å; A734-T736 HydrophobicContact CB-CG2 4.32Å; A734-T736 PolarHBondContact O-N 3.22Å
737	L	93.8	Very high	93.7	Very high	37 Å²	37	67.2 Å²	67.2	19%	0.194	36%	0.358	C	S	.	.	S	Bend	trans	-75.8	124.1	172.9	-179.1	66	0	0	0	110.3	F568 Y602 F727 N728 G731 L732 S739	F568-L737 HydrophobicContact CD2-CD2 4Å; F568-L737 HydrophobicContact CE2-CD2 4.18Å; F568-L737 HydrophobicContact CE2-CG 4.42Å; Y602-L737 PolarHBondContact OH-N 2.68Å; Y602-L737 PolarHBondContact OH-O 2.62Å; F727-L737 HydrophobicContact CE2-CD2 3.96Å; F727-L737 HydrophobicContact CZ-CD2 3.94Å; N728-L737 HydrophobicContact CB-CD1 4.41Å; G731-L737 PolarHBondContact O-N 2.95Å; L732-L737 HydrophobicContact CB-CD2 4.03Å; L732-L737 HydrophobicContact CD1-CD2 4.01Å; L737-S739 PolarHBondContact O-N 2.59Å
738	P	94.8	Very high	93.5	Very high	110 Å²	110	67.3 Å²	67.3	71%	0.714	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-60.4	130.7	177.1	-25.6	35.8	0	0	0	112.2
739	S	97	Very high	93.5	Very high	22 Å²	22	65.6 Å²	65.6	15%	0.154	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-81.6	128.3	177.8	178.5	0	0	0	0	112.1	F568 E600 G601 L737 L741	F568-S739 WeakPolarHBondContact CE1-OG 3.42Å; F568-S739 WeakPolarHBondContact CZ-OG 3.33Å; E600-S739 WeakPolarHBondContact O-CB 2.91Å; G601-S739 WeakPolarHBondContact O-CB 3.49Å; G601-S739 PolarHBondContact O-OG 3.43Å; L737-S739 PolarHBondContact O-N 2.59Å; S739-L741 PolarHBondContact O-N 3.2Å; S739-L741 WeakPolarHBondContact OG-CB 3.48Å; S739-L741 PolarHBondContact OG-N 2.77Å
740	P	96.5	Very high	93.6	Very high	54 Å²	54	65 Å²	65	35%	0.351	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	3	168.8	33	-34.2	0	0	0	113.2	T565 F568	T565-P740 HydrophobicContact CG2-CG 4.32Å; F568-P740 HydrophobicContact CB-CG 3.82Å; F568-P740 HydrophobicContact CD1-CG 4.36Å; F568-P740 HydrophobicContact CG-CG 4Å
741	L	96.5	Very high	93.7	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	1.4	-177.3	-58.6	167.1	0	0	0	112.7	I551 L554 F561 T565 F568 L597 I603 S739 R743	I551-L741 HydrophobicContact CD1-CD1 3.97Å; L554-L741 HydrophobicContact CD2-CD2 3.6Å; F561-L741 HydrophobicContact CE2-CD2 4.33Å; F561-L741 HydrophobicContact CZ-CD2 4.48Å; T565-L741 HydrophobicContact CG2-CD2 3.42Å; T565-L741 VanDerWaalsContact CG2-CD2 3.42Å; T565-L741 HydrophobicContact CG2-CG 4.02Å; F568-L741 HydrophobicContact CD1-CD1 3.81Å; F568-L741 HydrophobicContact CD1-CG 4.49Å; F568-L741 HydrophobicContact CE1-CD1 4.15Å; L597-L741 HydrophobicContact CD1-CB 4.16Å; L597-L741 HydrophobicContact CD2-CB 3.71Å; L597-L741 HydrophobicContact CD2-CD1 3.91Å; L597-L741 HydrophobicContact CD2-CG 4.41Å; I603-L741 HydrophobicContact CD1-CD1 4.08Å; I603-L741 HydrophobicContact CG1-CD1 4.23Å; S739-L741 PolarHBondContact O-N 3.2Å; S739-L741 WeakPolarHBondContact OG-CB 3.48Å; S739-L741 PolarHBondContact OG-N 2.77Å; L741-R743 WeakPolarHBondContact O-CG 3.35Å
742	R	95.1	Very high	93.8	Very high	156 Å²	156	66.5 Å²	66.5	59%	0.589	37%	0.366	S	S	*	.			trans	-61.3	140	176.3	-164.7	175.6	-170.2	-150.4	10.1	110	E600	E600-R742 IonicContact OE1-CZ 2.8Å; E600-R742 IonicContact OE1-NE 2.73Å; E600-R742 PolarHBondContact OE1-NE 2.86Å; E600-R742 IonicContact OE1-NH2 3.06Å; E600-R742 PolarHBondContact OE1-NH2 3.38Å; E600-R742 IonicContact OE2-CZ 3.88Å; E600-R742 IonicContact OE2-NE 3Å; E600-R742 PolarHBondContact OE2-NE 2.76Å; E600-R742 VanDerWaalsContact OE2-NE 3.1Å; E600-R742 IonicContact OE2-NH2 2.74Å; E600-R742 PolarHBondContact OE2-NH2 2.81Å
743	R	92.3	Very high	93.7	Very high	68 Å²	68	69.3 Å²	69.3	26%	0.257	38%	0.377	S	S	.	.			trans	-131	148.7	-179.9	-47.9	177.7	79.2	161.6	6.4	107.9	G548 L741 Y753	G548-R743 WeakPolarHBondContact O-CD 3.42Å; G548-R743 PolarHBondContact O-NH1 3Å; L741-R743 WeakPolarHBondContact O-CG 3.35Å; R743-Y753 HydrophobicContact CB-CD2 4.31Å; R743-Y753 HydrophobicContact CB-CE2 3.49Å; R743-Y753 VanDerWaalsContact CB-CE2 3.49Å; R743-Y753 HydrophobicContact CG-CE2 4.27Å; R743-Y753 VanDerWaalsContact CZ-CG 3.43Å
744	E	93.8	Very high	93.6	Very high	175 Å²	175	66.4 Å²	66.4	82%	0.818	36%	0.364	S	S	*	.			trans	-71.1	138.2	173.4	-65.7	174.8	177.5	0	0	109.6	Y753	E744-Y753 VanDerWaalsContact O-CE2 3.27Å; E744-Y753 WeakPolarHBondContact O-CE2 3.21Å; E744-Y753 PolarHBondContact O-OH 3.34Å
745	L	93	Very high	93.4	Very high	50 Å²	50	63.8 Å²	63.8	26%	0.262	34%	0.341	S	S	.	.			trans	-129.2	135.3	175.7	-71.1	168.2	0	0	0	107.7	L547 G747 D750 Y753	L547-L745 HydrophobicContact CB-CD1 3.9Å; L547-L745 HydrophobicContact CB-CD2 4.24Å; L745-G747 VanDerWaalsContact C-N 3.32Å; L745-D750 HydrophobicContact CB-CB 4.43Å; L745-D750 HydrophobicContact CD2-CB 4.03Å; L745-Y753 HydrophobicContact CD2-CD2 3.74Å; L745-Y753 HydrophobicContact CD2-CE2 3.57Å; L745-Y753 HydrophobicContact CG-CE2 4.28Å
746	S	93.3	Very high	92.9	Very high	112 Å²	112	66.3 Å²	66.3	78%	0.783	35%	0.354	S	S	*	.	S	Bend	trans	-79	-12.1	-178.5	57.7	0	0	0	0	114.3	D750	S746-D750 WeakPolarHBondContact CB-OD2 3.15Å; S746-D750 PolarHBondContact N-OD2 2.73Å; S746-D750 VanDerWaalsContact OG-CG 3.3Å; S746-D750 PolarHBondContact OG-OD2 2.93Å
747	G	91.8	Very high	92.4	Very high	25 Å²	25	63.8 Å²	63.8	26%	0.258	33%	0.333	S	S	.	.	S	Bend	trans	167.1	-178.9	176.4	0	0	0	0	0	112.3	L745 T749 D750	L745-G747 VanDerWaalsContact C-N 3.32Å; G747-T749 PolarHBondContact O-N 3.35Å; G747-D750 VanDerWaalsContact O-CB 3.25Å; G747-D750 WeakPolarHBondContact O-CB 3.42Å; G747-D750 PolarHBondContact O-N 3.44Å; G747-D750 VanDerWaalsContact O-N 3.08Å
748	P	91.1	Very high	91.9	Very high	35 Å²	35	65.9 Å²	65.9	23%	0.227	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.1	178	29.4	-34.3	0	0	0	113.2	D489 T491 L547	D489-P748 HydrophobicContact CB-CG 4.37Å; D489-P748 WeakPolarHBondContact O-CG 3.35Å; D489-P748 WeakPolarHBondContact OD1-CG 3.06Å; D489-P748 WeakPolarHBondContact OD2-CD 3.5Å; D489-P748 WeakPolarHBondContact OD2-CG 3.02Å; T491-P748 HydrophobicContact CG2-CB 4.1Å; T491-P748 WeakPolarHBondContact CG2-O 3.39Å; T491-P748 PolarHBondContact OG1-O 2.83Å; L547-P748 WeakPolarHBondContact CD1-O 3.48Å
749	T	94.1	Very high	91	Very high	51 Å²	51	65.4 Å²	65.4	31%	0.313	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.5	171	55.5	0	0	0	0	113.7	I469 K484 T491 G747 Y751	I469-T749 HydrophobicContact CD1-CG2 4.27Å; I469-T749 HydrophobicContact CG1-CG2 4.27Å; I469-T749 HydrophobicContact CG2-CG2 4.35Å; K484-T749 HydrophobicContact CD-CG2 3.79Å; T491-T749 HydrophobicContact CG2-CG2 4.18Å; G747-T749 PolarHBondContact O-N 3.35Å; T749-Y751 WeakPolarHBondContact O-CD1 3.18Å; T749-Y751 PolarHBondContact O-N 2.74Å
750	D	94.6	Very high	89.9	Confident	19 Å²	19	67 Å²	67	10%	0.102	35%	0.352	C	S	.	.			trans	-79.7	109.6	-179.4	-166	-24.3	0	0	0	111.8	L745 S746 G747 S752	L745-D750 HydrophobicContact CB-CB 4.43Å; L745-D750 HydrophobicContact CD2-CB 4.03Å; S746-D750 WeakPolarHBondContact CB-OD2 3.15Å; S746-D750 PolarHBondContact N-OD2 2.73Å; S746-D750 VanDerWaalsContact OG-CG 3.3Å; S746-D750 PolarHBondContact OG-OD2 2.93Å; G747-D750 VanDerWaalsContact O-CB 3.25Å; G747-D750 WeakPolarHBondContact O-CB 3.42Å; G747-D750 PolarHBondContact O-N 3.44Å; G747-D750 VanDerWaalsContact O-N 3.08Å; D750-S752 WeakPolarHBondContact OD1-CB 3.37Å; D750-S752 PolarHBondContact OD1-N 2.89Å; D750-S752 PolarHBondContact OD1-OG 3.46Å
751	Y	93	Very high	88.8	Confident	79 Å²	79	73 Å²	73	31%	0.31	38%	0.376	S	S	.	.			trans	-111.9	22.2	174.1	65.1	-84.8	0	0	0	112.6	I469 A470 L482 T749 Y753 F754	I469-Y751 HydrophobicContact CG2-CD1 4.4Å; I469-Y751 HydrophobicContact CG2-CE1 4.35Å; A470-Y751 HydrophobicContact CB-CD1 3.63Å; A470-Y751 HydrophobicContact CB-CD2 3.77Å; A470-Y751 HydrophobicContact CB-CE1 3.66Å; A470-Y751 HydrophobicContact CB-CE2 3.79Å; A470-Y751 HydrophobicContact CB-CG 3.69Å; L482-Y751 HydrophobicContact CD2-CD1 4.44Å; T749-Y751 WeakPolarHBondContact O-CD1 3.18Å; T749-Y751 PolarHBondContact O-N 2.74Å; Y751-Y753 PolarHBondContact O-N 2.62Å; Y751-Y753 VanDerWaalsContact O-N 3.07Å; Y751-F754 PolarHBondContact O-N 3.03Å
752	S	92.9	Very high	88	Confident	74 Å²	74	78.9 Å²	78.9	52%	0.517	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.9	-177.1	59.3	0	0	0	0	114.7	D750	D750-S752 WeakPolarHBondContact OD1-CB 3.37Å; D750-S752 PolarHBondContact OD1-N 2.89Å; D750-S752 PolarHBondContact OD1-OG 3.46Å
753	Y	92.4	Very high	87.4	Confident	59 Å²	59	75.4 Å²	75.4	23%	0.231	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	7.9	176.8	-55.3	-43.7	0	0	0	115	R743 E744 L745 Y751	R743-Y753 HydrophobicContact CB-CD2 4.31Å; R743-Y753 HydrophobicContact CB-CE2 3.49Å; R743-Y753 VanDerWaalsContact CB-CE2 3.49Å; R743-Y753 HydrophobicContact CG-CE2 4.27Å; R743-Y753 VanDerWaalsContact CZ-CG 3.43Å; E744-Y753 VanDerWaalsContact O-CE2 3.27Å; E744-Y753 WeakPolarHBondContact O-CE2 3.21Å; E744-Y753 PolarHBondContact O-OH 3.34Å; L745-Y753 HydrophobicContact CD2-CD2 3.74Å; L745-Y753 HydrophobicContact CD2-CE2 3.57Å; L745-Y753 HydrophobicContact CG-CE2 4.28Å; Y751-Y753 PolarHBondContact O-N 2.62Å; Y751-Y753 VanDerWaalsContact O-N 3.07Å
754	F	90.3	Very high	87.2	Confident	15 Å²	15	72.9 Å²	72.9	7%	0.066	40%	0.4	C	S	.	.	S	Bend	trans	-107.2	148.2	174.1	-65.8	-90.9	0	0	0	111.5	L472 L547 M596 Y751	L472-F754 HydrophobicContact CB-CD1 4.1Å; L472-F754 HydrophobicContact CB-CE1 4.21Å; L472-F754 HydrophobicContact CD2-CD1 4.01Å; L472-F754 HydrophobicContact CD2-CD2 3.7Å; L472-F754 HydrophobicContact CD2-CE1 4.15Å; L472-F754 HydrophobicContact CD2-CE2 3.85Å; L472-F754 HydrophobicContact CD2-CG 3.79Å; L472-F754 HydrophobicContact CD2-CZ 4.06Å; L472-F754 WeakPolarHBondContact O-CD1 3.05Å; L547-F754 HydrophobicContact CD2-CE2 4.45Å; M596-F754 HydrophobicContact CE-CE1 3.74Å; M596-F754 HydrophobicContact CE-CZ 3.77Å; M596-F754 HydrophobicContact SD-CE1 4.19Å; Y751-F754 PolarHBondContact O-N 3.03Å
755	D	85.4	Confident	87.1	Confident	12 Å²	12	68.3 Å²	68.3	6%	0.064	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-69.1	149.5	167.5	-82.5	-33.5	0	0	0	110.9	R136 R556 Y757	R136-D755 WeakPolarHBondContact CB-OD2 3.24Å; R136-D755 WeakPolarHBondContact CD-OD1 3.25Å; R136-D755 IonicContact CZ-OD1 3.48Å; R136-D755 IonicContact NE-OD1 2.68Å; R136-D755 IonicContact NH1-OD1 3.14Å; R136-D755 PolarHBondContact NH1-OD1 2.91Å; R556-D755 IonicContact NH1-OD2 2.72Å; D755-Y757 HydrophobicContact CB-CE2 4.36Å; D755-Y757 WeakPolarHBondContact O-CD2 3.13Å; D755-Y757 WeakPolarHBondContact O-CE2 3.42Å
756	K	84.8	Confident	87.2	Confident	136 Å²	136	69.4 Å²	69.4	59%	0.591	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-91.3	118.8	-173.8	-61.4	-168.6	177.9	-166.2	0	110.7	T133	T133-K756 WeakPolarHBondContact CG2-O 3.26Å
757	Y	84.2	Confident	87.3	Confident	50 Å²	50	64.9 Å²	64.9	20%	0.196	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-101.4	150	175.6	-53.9	-87.5	0	0	0	110.6	R137 T471 L472 V474 D755	R137-Y757 WeakPolarHBondContact CD-OH 3.31Å; R137-Y757 VanDerWaalsContact CZ-OH 3.23Å; R137-Y757 PolarHBondContact NE-OH 3.18Å; T471-Y757 HydrophobicContact CG2-CD2 4.11Å; T471-Y757 HydrophobicContact CG2-CG 4.19Å; L472-Y757 WeakPolarHBondContact O-CE2 3.35Å; V474-Y757 HydrophobicContact CB-CD1 4.34Å; V474-Y757 HydrophobicContact CG2-CD1 3.81Å; V474-Y757 HydrophobicContact CG2-CE1 4.43Å; V474-Y757 HydrophobicContact CG2-CG 4.03Å; D755-Y757 HydrophobicContact CB-CE2 4.36Å; D755-Y757 WeakPolarHBondContact O-CD2 3.13Å; D755-Y757 WeakPolarHBondContact O-CE2 3.42Å
758	P	82.8	Confident	87.4	Confident	80 Å²	80	69.5 Å²	69.5	52%	0.519	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-68.8	168.2	166.8	32	-35.6	0	0	0	111.1	R479	R479-P758 PolarHBondContact NH2-O 3.46Å
759	P	75.8	Confident	87.5	Confident	100 Å²	100	72 Å²	72	65%	0.649	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-52.9	159.1	162.4	-24	35.6	0	0	0	112.5
760	D	74.4	Confident	87.4	Confident	55 Å²	55	70.9 Å²	70.9	29%	0.294	39%	0.393	S	S	.	.			trans	-94.3	112.8	170.7	-175.3	9.5	0	0	0	108	K498 D762	K498-D760 WeakPolarHBondContact CE-OD2 3.5Å; K498-D760 VanDerWaalsContact NZ-CG 3.31Å; K498-D760 IonicContact NZ-OD1 2.68Å; K498-D760 PolarHBondContact NZ-OD1 2.64Å; K498-D760 VanDerWaalsContact NZ-OD1 3.08Å; K498-D760 IonicContact NZ-OD2 3.69Å; K498-D760 PolarHBondContact NZ-OD2 3.24Å; D760-D762 PolarHBondContact OD1-N 2.84Å; D760-D762 VanDerWaalsContact OD1-N 3.12Å
761	E	73.4	Confident	87.3	Confident	180 Å²	180	71.7 Å²	71.7	84%	0.841	40%	0.395	S	S	*	.			trans	-91.3	-12.2	178	-63.3	-179.9	-174.7	0	0	111.5	S763	E761-S763 PolarHBondContact O-N 3.37Å
762	D	78.8	Confident	87.4	Confident	126 Å²	126	68 Å²	68	67%	0.674	38%	0.38	S	S	*	.			trans	-89.4	86.4	-174.6	-73.6	-35.3	0	0	0	112.4	K498 D760 P764	K498-D762 PolarHBondContact NZ-O 3.34Å; D760-D762 PolarHBondContact OD1-N 2.84Å; D760-D762 VanDerWaalsContact OD1-N 3.12Å; D762-P764 WeakPolarHBondContact O-CD 3.19Å
763	S	82.8	Confident	87.3	Confident	83 Å²	83	70.6 Å²	70.6	58%	0.58	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-70.4	121.6	169.8	-161.7	0	0	0	0	111.1	E761	E761-S763 PolarHBondContact O-N 3.37Å
764	P	88.6	Confident	87.1	Confident	15 Å²	15	71.3 Å²	71.3	10%	0.097	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-72.1	160.5	178.1	32	-35.7	0	0	0	111.6	K498 K537 Y538 D762	K498-P764 HydrophobicContact CB-CB 4.3Å; K498-P764 HydrophobicContact CB-CG 4.14Å; K498-P764 HydrophobicContact CD-CB 4.29Å; K498-P764 HydrophobicContact CD-CG 4.14Å; K498-P764 HydrophobicContact CG-CG 4.08Å; K537-P764 HydrophobicContact CB-CG 4.07Å; K537-P764 WeakPolarHBondContact CD-O 3.07Å; K537-P764 PolarHBondContact NZ-O 3Å; Y538-P764 HydrophobicContact CE1-CG 4.39Å; Y538-P764 HydrophobicContact CE2-CG 4.12Å; Y538-P764 VanDerWaalsContact OH-CD 3.25Å; Y538-P764 WeakPolarHBondContact OH-CD 3.41Å; D762-P764 WeakPolarHBondContact O-CD 3.19Å
765	P	92.1	Very high	87.1	Confident	79 Å²	79	72.1 Å²	72.1	51%	0.513	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-65.9	159.4	170	32	-37.3	0	0	0	111	K500	K500-P765 HydrophobicContact CB-CG 4.12Å; K500-P765 HydrophobicContact CD-CG 4.28Å; K500-P765 HydrophobicContact CG-CG 3.77Å
766	D	95.1	Very high	87.1	Confident	73 Å²	73	75.1 Å²	75.1	39%	0.39	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-65	145.5	175.9	-71.5	33.6	0	0	0	111.1	N536 K537 L768	N536-D766 HydrophobicContact CB-CB 4.17Å; N536-D766 WeakPolarHBondContact CB-OD2 3.35Å; N536-D766 PolarHBondContact ND2-OD2 2.9Å; N536-D766 CarbonylContact O-C 3.57Å; N536-D766 WeakPolarHBondContact O-CA 3.18Å; K537-D766 WeakPolarHBondContact CE-OD1 3.41Å; K537-D766 IonicContact NZ-OD1 2.63Å; K537-D766 PolarHBondContact NZ-OD1 3.38Å; D766-L768 HydrophobicContact CB-CG 4.39Å
767	E	95.5	Very high	87.3	Confident	17 Å²	17	71.9 Å²	71.9	8%	0.079	40%	0.404	C	S	.	.			trans	-137	113.9	179.2	-164.6	-66.3	107.3	0	0	107.5	K499 V503 N536 S769 W771	K499-E767 HydrophobicContact CB-CB 3.75Å; K499-E767 HydrophobicContact CB-CG 4.17Å; K499-E767 WeakPolarHBondContact CE-O 3.45Å; K499-E767 WeakPolarHBondContact CE-OE2 3.4Å; K499-E767 PolarHBondContact NZ-O 2.92Å; K499-E767 IonicContact NZ-OE2 3.95Å; V503-E767 HydrophobicContact CG2-CG 3.96Å; N536-E767 PolarHBondContact O-N 3.42Å; E767-S769 WeakPolarHBondContact OE1-CB 3.39Å; E767-S769 PolarHBondContact OE1-N 3.47Å; E767-S769 PolarHBondContact OE1-OG 2.84Å; E767-W771 PolarHBondContact OE2-NE1 3.18Å
768	L	94	Very high	87.4	Confident	121 Å²	121	73.1 Å²	73.1	63%	0.634	42%	0.416	S	S	*	.			trans	-125.7	15.1	-162.3	-56.7	178.3	0	0	0	113.5	N536 D766 G770	N536-L768 HydrophobicContact CB-CD2 3.89Å; D766-L768 HydrophobicContact CB-CG 4.39Å; L768-G770 PolarHBondContact O-N 3.31Å
769	S	91.8	Very high	87.7	Confident	87 Å²	87	72.7 Å²	72.7	61%	0.608	41%	0.41	S	S	*	.	S	Bend	trans	-68.4	-15.3	-179.2	61.5	0	0	0	0	114.2	E767	E767-S769 WeakPolarHBondContact OE1-CB 3.39Å; E767-S769 PolarHBondContact OE1-N 3.47Å; E767-S769 PolarHBondContact OE1-OG 2.84Å
770	G	92.3	Very high	88.5	Confident	28 Å²	28	71 Å²	71	29%	0.289	40%	0.395	S	S	.	.			trans	80.5	14	173.7	0	0	0	0	0	115.1	L768 D772 M773	L768-G770 PolarHBondContact O-N 3.31Å; G770-D772 PolarHBondContact O-N 2.95Å; G770-D772 VanDerWaalsContact O-N 3.16Å; G770-M773 WeakPolarHBondContact O-CB 3.43Å; G770-M773 WeakPolarHBondContact O-CG 3.27Å; G770-M773 PolarHBondContact O-N 3.42Å
771	W	93.7	Very high	89.4	Confident	37 Å²	37	72.1 Å²	72.1	14%	0.14	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.9	171.1	73.4	-85.5	0	0	0	112.6	K499 V502 E508 I511 H512 V539 E767 F775	K499-W771 HydrophobicContact CG-CZ2 4.25Å; V502-W771 HydrophobicContact CB-CH2 4.31Å; V502-W771 HydrophobicContact CB-CZ2 4.08Å; V502-W771 HydrophobicContact CG1-CH2 3.82Å; V502-W771 HydrophobicContact CG1-CZ2 3.97Å; V502-W771 HydrophobicContact CG1-CZ3 4.35Å; V502-W771 HydrophobicContact CG2-CH2 4.38Å; V502-W771 HydrophobicContact CG2-CZ2 4.36Å; E508-W771 HydrophobicContact CB-CD2 4.09Å; E508-W771 HydrophobicContact CB-CE3 3.66Å; E508-W771 HydrophobicContact CB-CZ3 4.2Å; E508-W771 HydrophobicContact CG-CB 4.3Å; E508-W771 HydrophobicContact CG-CD2 3.69Å; E508-W771 HydrophobicContact CG-CE3 3.81Å; E508-W771 HydrophobicContact CG-CG 3.9Å; E508-W771 HydrophobicContact CG-CZ3 4.45Å; I511-W771 HydrophobicContact CB-CH2 4.19Å; I511-W771 HydrophobicContact CB-CZ3 4.11Å; I511-W771 HydrophobicContact CG2-CH2 3.81Å; I511-W771 HydrophobicContact CG2-CZ3 3.96Å; H512-W771 AromaticContact CD2-CE3 3.92Å; H512-W771 PolarHBondContact CE1-O 3.5Å; H512-W771 VanDerWaalsContact CE1-O 3.31Å; H512-W771 AromaticContact NE2-CE3 3.6Å; H512-W771 PolarHBondContact NE2-O 3.38Å; V539-W771 HydrophobicContact CG1-CH2 4.26Å; V539-W771 HydrophobicContact CG1-CZ2 4.3Å; V539-W771 HydrophobicContact CG2-CH2 4.13Å; E767-W771 PolarHBondContact OE2-NE1 3.18Å; W771-F775 HydrophobicContact CZ3-CE2 4.3Å
772	D	93.6	Very high	90.6	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	4.9	-177.1	64.7	-58.9	0	0	0	114.6	K499 R534 V539 G770 D774 F775	K499-D772 WeakPolarHBondContact CE-OD1 3.46Å; K499-D772 WeakPolarHBondContact CE-OD2 3.35Å; K499-D772 IonicContact NZ-OD1 2.67Å; K499-D772 PolarHBondContact NZ-OD1 3.07Å; K499-D772 IonicContact NZ-OD2 2.69Å; K499-D772 PolarHBondContact NZ-OD2 3.09Å; R534-D772 WeakPolarHBondContact CD-O 3.4Å; R534-D772 VanDerWaalsContact CD-OD2 3.3Å; R534-D772 WeakPolarHBondContact CD-OD2 3.32Å; R534-D772 IonicContact CZ-OD2 3.08Å; R534-D772 IonicContact NE-OD2 3.63Å; R534-D772 IonicContact NH1-OD1 2.7Å; R534-D772 IonicContact NH1-OD2 2.75Å; R534-D772 PolarHBondContact NH1-OD2 2.65Å; V539-D772 HydrophobicContact CG1-CB 3.63Å; G770-D772 PolarHBondContact O-N 2.95Å; G770-D772 VanDerWaalsContact O-N 3.16Å; D772-D774 PolarHBondContact O-N 3.46Å; D772-F775 HydrophobicContact CB-CD2 4.44Å; D772-F775 WeakPolarHBondContact O-CB 3.48Å; D772-F775 PolarHBondContact O-N 3.15Å
773	M	91.3	Very high	91.5	Very high	128 Å²	128	59.6 Å²	59.6	63%	0.631	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.5	-170	-83.3	-67.5	-56.8	0	0	116.8	R534 G770	R534-M773 PolarHBondContact NH2-SD 2.97Å; G770-M773 WeakPolarHBondContact O-CB 3.43Å; G770-M773 WeakPolarHBondContact O-CG 3.27Å; G770-M773 PolarHBondContact O-N 3.42Å
774	D	88.1	Confident	92.2	Very high	75 Å²	75	57.7 Å²	57.7	40%	0.401	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	2	-179	77.8	-8.6	0	0	0	114.9	H512 R515 D772	H512-D774 IonicContact CE1-OD1 3.94Å; H512-D774 PolarHBondContact CE1-OD1 3.29Å; H512-D774 IonicContact CE1-OD2 2.89Å; H512-D774 IonicContact ND1-OD1 2.72Å; H512-D774 IonicContact ND1-OD2 3.82Å; R515-D774 IonicContact CZ-OD1 3.44Å; R515-D774 IonicContact CZ-OD2 2.84Å; R515-D774 IonicContact NE-OD1 3.69Å; R515-D774 PolarHBondContact NE-OD1 3.15Å; R515-D774 IonicContact NE-OD2 2.82Å; R515-D774 PolarHBondContact NH1-O 3.04Å; R515-D774 PolarHBondContact NH2-O 3.45Å; R515-D774 IonicContact NH2-OD1 2.7Å; R515-D774 PolarHBondContact NH2-OD1 2.73Å; R515-D774 IonicContact NH2-OD2 3.8Å; R515-D774 PolarHBondContact NH2-OD2 3.05Å; D772-D774 PolarHBondContact O-N 3.46Å
775	F	90.2	Very high	92.5	Very high	31 Å²	31	61.5 Å²	61.5	14%	0.136	35%	0.348	C	S	.	.			trans	-77.2	0	177.6	-87	-107.1	0	0	0	113.7	I511 H512 R515 T532 R534 V539 M541 W771 D772	I511-F775 HydrophobicContact CG2-CE1 4.27Å; I511-F775 HydrophobicContact CG2-CE2 4.47Å; I511-F775 HydrophobicContact CG2-CZ 3.61Å; H512-F775 AromaticContact CE1-CE2 3.77Å; H512-F775 AromaticContact ND1-CE2 3.82Å; R515-F775 HydrophobicContact CB-CE1 4.38Å; R515-F775 HydrophobicContact CB-CZ 4.07Å; R515-F775 VanDerWaalsContact CD-CZ 3.45Å; R515-F775 HydrophobicContact CG-CE1 4.22Å; R515-F775 HydrophobicContact CG-CZ 4.24Å; T532-F775 VanDerWaalsContact C-OXT 3.27Å; T532-F775 WeakPolarHBondContact CB-OXT 3.42Å; T532-F775 HydrophobicContact CG2-CD1 3.97Å; T532-F775 HydrophobicContact CG2-CE1 4.32Å; T532-F775 PolarHBondContact OG1-OXT 3.35Å; R534-F775 HydrophobicContact CB-CB 4.11Å; R534-F775 WeakPolarHBondContact CD-O 3.33Å; R534-F775 HydrophobicContact CG-CB 4.48Å; V539-F775 HydrophobicContact CB-CD1 3.71Å; V539-F775 HydrophobicContact CB-CE1 3.86Å; V539-F775 HydrophobicContact CB-CG 4.23Å; V539-F775 HydrophobicContact CG1-CD1 4.11Å; V539-F775 HydrophobicContact CG1-CD2 4.43Å; V539-F775 HydrophobicContact CG1-CE1 4.43Å; V539-F775 HydrophobicContact CG1-CG 4.13Å; V539-F775 HydrophobicContact CG2-CD1 4.29Å; V539-F775 HydrophobicContact CG2-CE1 3.91Å; V539-F775 HydrophobicContact CG2-CZ 4.3Å; M541-F775 HydrophobicContact CE-CE1 3.93Å; M541-F775 HydrophobicContact CE-CZ 4.29Å; W771-F775 HydrophobicContact CZ3-CE2 4.3Å; D772-F775 HydrophobicContact CB-CD2 4.44Å; D772-F775 WeakPolarHBondContact O-CB 3.48Å; D772-F775 PolarHBondContact O-N 3.15Å

Retrieved 775 of 775 residues in 343.4 ms (Link to these results)

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