A0A087XDD2_POEFO Loading...

Endoplasmin

AlphaFold DB , UniProt , Accession A0A087XDD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 797 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	45.3	Very low	44.7	Very low	236 Å²	236	157.3 Å²	157.3	100%	1.163	78%	0.78	S	S	*	*				0	145	0	-115.8	176.7	-86.8	0	0	109.6	R3	M1-R3 PolarHBondContact O-N 3.17Å
2	K	46	Very low	44.2	Very low	204 Å²	204	151 Å²	151	89%	0.887	77%	0.772	S	S	*	*			trans	27.8	72.3	164.8	-62.6	-173.5	178.1	-177.8	0	118.8
3	R	46.3	Very low	43.5	Very low	232 Å²	232	150.7 Å²	150.7	88%	0.875	77%	0.772	S	S	*	*	S	Bend	trans	-167.7	-19.6	144.3	-113.4	172.9	-175.2	-175.1	0.8	115.4	M1 W5	M1-R3 PolarHBondContact O-N 3.17Å; R3-W5 PolarHBondContact O-N 2.82Å
4	V	46.8	Very low	42.9	Very low	134 Å²	134	151.6 Å²	151.6	81%	0.812	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-11.3	178	-175	0	0	0	0	113.5
5	W	44.8	Very low	42.8	Very low	223 Å²	223	145.8 Å²	145.8	85%	0.845	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	4.8	-168	-108.8	50.9	0	0	0	116.6	R3	R3-W5 PolarHBondContact O-N 2.82Å
6	V	49.5	Very low	42.3	Very low	106 Å²	106	149.8 Å²	149.8	64%	0.642	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-31.9	-176.6	-177.2	0	0	0	0	112.8
7	V	47.2	Very low	41.6	Very low	111 Å²	111	147 Å²	147	67%	0.673	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-38.8	-177.9	-175.9	0	0	0	0	111.9	L9 L10	V7-L9 PolarHBondContact O-N 3.37Å; V7-L10 PolarHBondContact O-N 3.3Å
8	G	42.5	Very low	41	Very low	60 Å²	60	144.2 Å²	144.2	62%	0.619	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-17.4	-179.6	0	0	0	0	0	115
9	L	43	Very low	40.5	Very low	119 Å²	119	144.3 Å²	144.3	62%	0.623	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-14.6	-178.1	-133.6	153.3	0	0	0	112.7	V7	V7-L9 PolarHBondContact O-N 3.37Å
10	L	40.9	Very low	40	Very low	125 Å²	125	148.8 Å²	148.8	65%	0.654	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-19.9	178.5	-106.1	148.2	0	0	0	113.7	V7	V7-L10 PolarHBondContact O-N 3.3Å
11	F	39	Very low	39.5	Very low	180 Å²	180	146.1 Å²	146.1	79%	0.789	79%	0.787	S	S	*	*	S	Bend	trans	-92.5	-11.3	178.1	-106.6	-87.5	0	0	0	114.5	L13	F11-L13 VanDerWaalsContact C-N 3.3Å; F11-L13 PolarHBondContact O-N 3.16Å
12	A	38.6	Very low	38.8	Very low	82 Å²	82	143 Å²	143	68%	0.678	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	3.8	179.6	0	0	0	0	0	114.2
13	L	35.9	Very low	38	Very low	147 Å²	147	141.6 Å²	141.6	77%	0.77	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	7.4	-170.6	-106.4	166.8	0	0	0	114.6	F11	F11-L13 VanDerWaalsContact C-N 3.3Å; F11-L13 PolarHBondContact O-N 3.16Å
14	L	35	Very low	37.2	Very low	163 Å²	163	139.3 Å²	139.3	85%	0.853	77%	0.771	S	S	*	*	S	Bend	trans	-120.7	15.6	178.2	-84.5	166.7	0	0	0	113.6
15	A	40.8	Very low	36.5	Very low	65 Å²	65	138.5 Å²	138.5	54%	0.537	77%	0.766	S	S	.	*	S	Bend	trans	-126.7	130.5	168.2	0	0	0	0	0	109.2
16	F	35.6	Very low	35.8	Very low	210 Å²	210	134.8 Å²	134.8	92%	0.921	76%	0.762	S	S	*	*	S	Bend	trans	63.8	83.3	177.3	-57.1	-85.6	0	0	0	117.9
17	A	30.5	Very low	35	Very low	102 Å²	102	135.4 Å²	135.4	84%	0.843	77%	0.766	S	S	*	*			trans	-175.2	103.5	134.5	0	0	0	0	0	113.2
18	A	30.3	Very low	34.2	Very low	97 Å²	97	138 Å²	138	80%	0.802	78%	0.776	S	S	*	*			trans	-156.1	80.6	158.7	0	0	0	0	0	106.7
19	V	31	Very low	33.6	Very low	145 Å²	145	138.4 Å²	138.4	88%	0.879	78%	0.78	S	S	*	*				68.3	110.6	99.8	175.1	0	0	0	0	111.9
20	R	31.1	Very low	33	Very low	235 Å²	235	141.8 Å²	141.8	89%	0.887	80%	0.795	S	S	*	*			trans	-137.9	126.4	172.7	-162.2	-175.1	-164	-169	3.3	106
21	A	29	Very low	33	Very low	93 Å²	93	141.8 Å²	141.8	77%	0.769	80%	0.8	S	S	*	*			trans	-146.5	145.2	173	0	0	0	0	0	107.3
22	E	31.1	Very low	32.6	Very low	170 Å²	170	142.4 Å²	142.4	79%	0.794	81%	0.805	S	S	*	*			trans	-108.6	144.3	-176.7	-66.7	147.6	149.3	0	0	108.4
23	D	29.5	Very low	32.6	Very low	175 Å²	175	145.6 Å²	145.6	94%	0.936	81%	0.811	S	S	*	*			trans	-134.6	122.8	166.5	-90	-48.7	0	0	0	108.2
24	E	29.7	Very low	32.4	Very low	184 Å²	184	146 Å²	146	86%	0.86	81%	0.814	S	S	*	*			trans	-147	125.7	175.9	-154.2	177	-121.9	0	0	103.4
25	V	32.1	Very low	32.7	Very low	116 Å²	116	146 Å²	146	70%	0.703	81%	0.814	S	S	*	*				-172.5	127.7	80.7	164.7	0	0	0	0	104.5
26	D	29.9	Very low	32.4	Very low	146 Å²	146	146.1 Å²	146.1	78%	0.781	82%	0.821	S	S	*	*				56.8	142.5	93.3	-128.8	2.4	0	0	0	113.7
27	V	31.4	Very low	32.6	Very low	119 Å²	119	145.7 Å²	145.7	72%	0.721	82%	0.819	S	S	*	*			cis	-154.7	144.8	21.8	-179.2	0	0	0	0	109.1
28	D	30.5	Very low	32.7	Very low	166 Å²	166	147 Å²	147	89%	0.888	82%	0.822	S	S	*	*			trans	-175.6	158.2	131.8	-145.3	-18	0	0	0	112.3
29	G	30	Very low	33.4	Very low	67 Å²	67	153.4 Å²	153.4	69%	0.691	83%	0.825	S	S	*	*			trans	112.7	84.4	163.6	0	0	0	0	0	117.7
30	M	30.8	Very low	33.8	Very low	190 Å²	190	151.1 Å²	151.1	94%	0.936	81%	0.808	S	S	*	*			trans	-31	154.6	171.7	-70	-74	-169.6	0	0	119.9
31	V	40.3	Very low	34.2	Very low	126 Å²	126	143.9 Å²	143.9	76%	0.764	81%	0.806	S	S	*	*			trans	-82.8	144	168.3	179	0	0	0	0	111.7
32	E	30.6	Very low	34.9	Very low	193 Å²	193	144.2 Å²	144.2	90%	0.902	80%	0.803	S	S	*	*			trans	-142.1	140.9	152.8	-120.6	176	-168.9	0	0	110.2
33	D	38.7	Very low	35.3	Very low	149 Å²	149	144 Å²	144	80%	0.797	80%	0.795	S	S	*	*			trans	-88.3	143.6	177.8	-70.8	-76.3	0	0	0	111.8
34	D	31.8	Very low	36.2	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	78%	0.779	S	S	*	*			trans	-154.5	149.7	137.8	-158.1	6	0	0	0	112.8
35	L	42.4	Very low	37.3	Very low	165 Å²	165	137.1 Å²	137.1	86%	0.864	77%	0.768	S	S	*	*			trans	-99.2	109.9	175.7	-69.6	94.2	0	0	0	110.8
36	G	34.7	Very low	38.1	Very low	66 Å²	66	136.8 Å²	136.8	68%	0.68	76%	0.762	S	S	*	*			trans	-153	81.8	-173.8	0	0	0	0	0	117.7
37	K	39.9	Very low	39.1	Very low	202 Å²	202	136.2 Å²	136.2	88%	0.878	76%	0.755	S	S	*	*			trans	43.6	81.5	150	-60.7	171.1	-177.8	167.4	0	116.7	R39	K37-R39 PolarHBondContact O-N 2.79Å
38	S	31.4	Very low	40.1	Very low	129 Å²	129	134.1 Å²	134.1	90%	0.902	74%	0.742	S	S	*	*			trans	-66.9	104.1	151.3	-174.7	0	0	0	0	108.6
39	R	45.1	Very low	41.3	Very low	232 Å²	232	129.8 Å²	129.8	88%	0.875	72%	0.722	S	S	*	*			trans	-137.6	48.3	175	-152.1	-164.6	84.2	159.2	7.6	111.2	K37	K37-R39 PolarHBondContact O-N 2.79Å
40	D	39	Very low	42.5	Very low	97 Å²	97	132.3 Å²	132.3	52%	0.519	72%	0.715	S	S	.	*			trans	-124.4	78.9	175.3	-150.8	-13.9	0	0	0	111.1	R43	D40-R43 WeakPolarHBondContact OD1-CD 3.4Å; D40-R43 VanDerWaalsContact OD1-CG 3.29Å; D40-R43 WeakPolarHBondContact OD1-CG 3.06Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 IonicContact OD2-CZ 2.68Å; D40-R43 IonicContact OD2-NE 2.91Å; D40-R43 IonicContact OD2-NH1 3.79Å; D40-R43 PolarHBondContact OD2-NH1 3.09Å
41	G	40.2	Very low	43.8	Very low	82 Å²	82	132 Å²	132	85%	0.845	70%	0.703	S	S	*	*			trans	-122.7	38.9	178.4	0	0	0	0	0	111.7
42	S	43.1	Very low	44.4	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	69%	0.693	S	S	*	*			trans	-157.4	47.5	-176	-173.2	0	0	0	0	112.5
43	R	40.9	Very low	45.6	Very low	165 Å²	165	125.9 Å²	125.9	62%	0.623	67%	0.667	S	S	*	*			trans	-133.2	-0.8	178.9	-68.9	174.8	90.9	164.9	6.7	115	D40 D45	D40-R43 WeakPolarHBondContact OD1-CD 3.4Å; D40-R43 VanDerWaalsContact OD1-CG 3.29Å; D40-R43 WeakPolarHBondContact OD1-CG 3.06Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 IonicContact OD2-CZ 2.68Å; D40-R43 IonicContact OD2-NE 2.91Å; D40-R43 IonicContact OD2-NH1 3.79Å; D40-R43 PolarHBondContact OD2-NH1 3.09Å; R43-D45 VanDerWaalsContact C-N 3.33Å
44	T	48.6	Very low	46.4	Very low	98 Å²	98	126.1 Å²	126.1	60%	0.601	66%	0.663	S	S	*	*	H	α-helix	trans	-65.7	-37	173.8	44.6	0	0	0	0	112.2	V48	T44-V48 WeakPolarHBondContact O-CB 3.43Å; T44-V48 VanDerWaalsContact O-CG2 3.24Å; T44-V48 WeakPolarHBondContact O-CG2 3.29Å; T44-V48 PolarHBondContact O-N 3.36Å
45	D	52.3	Low	47.6	Very low	116 Å²	116	122.4 Å²	122.4	62%	0.62	65%	0.654	S	S	*	*	H	α-helix	trans	-75	-40.3	-169.5	-65.2	13.9	0	0	0	111.6	R43 E47 V48 V49	R43-D45 VanDerWaalsContact C-N 3.33Å; D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 3.27Å; D45-V48 PolarHBondContact O-N 3.31Å; D45-V49 WeakPolarHBondContact O-CB 3.46Å; D45-V49 VanDerWaalsContact O-CG2 3.27Å; D45-V49 WeakPolarHBondContact O-CG2 3.44Å; D45-V49 PolarHBondContact O-N 3.01Å
46	D	49.4	Very low	48.2	Very low	110 Å²	110	118.7 Å²	118.7	59%	0.588	63%	0.634	S	S	*	*	H	α-helix	trans	-62.8	-37.1	176.8	-76.7	-30.5	0	0	0	112.5	Q50	D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.27Å; D46-Q50 WeakPolarHBondContact O-CG 3.28Å; D46-Q50 PolarHBondContact O-N 3.26Å; D46-Q50 VanDerWaalsContact O-N 3.11Å; D46-Q50 PolarHBondContact O-NE2 2.98Å
47	E	49.6	Very low	49.2	Very low	133 Å²	133	123.7 Å²	123.7	62%	0.621	64%	0.64	S	S	*	*	H	α-helix	trans	-77.4	-32.9	176.5	-68.7	-166.9	172.6	0	0	112.7	D45 R51	D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 3.27Å; E47-R51 WeakPolarHBondContact O-CG 3.49Å; E47-R51 PolarHBondContact O-N 2.73Å
48	V	53.8	Low	50	Low	75 Å²	75	119 Å²	119	46%	0.455	62%	0.624	S	S	.	*	H	α-helix	trans	-68.3	-45.7	173	167	0	0	0	0	110.6	T44 D45 Q50 R51 E52	T44-V48 WeakPolarHBondContact O-CB 3.43Å; T44-V48 VanDerWaalsContact O-CG2 3.24Å; T44-V48 WeakPolarHBondContact O-CG2 3.29Å; T44-V48 PolarHBondContact O-N 3.36Å; D45-V48 PolarHBondContact O-N 3.31Å; V48-Q50 VanDerWaalsContact C-N 3.33Å; V48-Q50 PolarHBondContact O-N 3.42Å; V48-R51 PolarHBondContact O-N 2.93Å; V48-R51 VanDerWaalsContact O-N 3.14Å; V48-E52 PolarHBondContact O-N 3.22Å
49	V	55	Low	51	Low	76 Å²	76	121 Å²	121	46%	0.461	62%	0.624	S	S	.	*	H	α-helix	trans	-57.9	-45.9	174.4	168.4	0	0	0	0	110.5	D45 R51 E52 E53	D45-V49 WeakPolarHBondContact O-CB 3.46Å; D45-V49 VanDerWaalsContact O-CG2 3.27Å; D45-V49 WeakPolarHBondContact O-CG2 3.44Å; D45-V49 PolarHBondContact O-N 3.01Å; V49-R51 VanDerWaalsContact C-N 3.33Å; V49-R51 PolarHBondContact O-N 3.5Å; V49-E52 CarbonylContact O-C 3.59Å; V49-E52 PolarHBondContact O-N 3.05Å; V49-E52 VanDerWaalsContact O-N 3.13Å; V49-E53 HydrophobicContact CG1-CG 4.25Å; V49-E53 WeakPolarHBondContact O-CG 3.29Å; V49-E53 PolarHBondContact O-N 2.71Å
50	Q	54.6	Low	51.9	Low	119 Å²	119	113.6 Å²	113.6	56%	0.556	62%	0.62	S	S	*	*	H	α-helix	trans	-60.2	-39.8	176.1	-78	169.4	63.4	0	0	112.8	D46 V48 E53 E54	D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 VanDerWaalsContact O-CG 3.27Å; D46-Q50 WeakPolarHBondContact O-CG 3.28Å; D46-Q50 PolarHBondContact O-N 3.26Å; D46-Q50 VanDerWaalsContact O-N 3.11Å; D46-Q50 PolarHBondContact O-NE2 2.98Å; V48-Q50 VanDerWaalsContact C-N 3.33Å; V48-Q50 PolarHBondContact O-N 3.42Å; Q50-E53 WeakPolarHBondContact O-CB 3.44Å; Q50-E53 PolarHBondContact O-N 3.31Å; Q50-E54 PolarHBondContact O-N 2.72Å; Q50-E54 VanDerWaalsContact O-N 3.09Å
51	R	57.4	Low	53.3	Low	183 Å²	183	112.1 Å²	112.1	69%	0.691	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-35.1	173.5	-78.1	178.5	169.6	167.3	1.9	113.2	E47 V48 V49 E54 A55	E47-R51 WeakPolarHBondContact O-CG 3.49Å; E47-R51 PolarHBondContact O-N 2.73Å; V48-R51 PolarHBondContact O-N 2.93Å; V48-R51 VanDerWaalsContact O-N 3.14Å; V49-R51 VanDerWaalsContact C-N 3.33Å; V49-R51 PolarHBondContact O-N 3.5Å; R51-E54 PolarHBondContact O-N 3.12Å; R51-A55 WeakPolarHBondContact O-CB 3.31Å; R51-A55 PolarHBondContact O-N 2.9Å
52	E	54.8	Low	54.9	Low	118 Å²	118	112 Å²	112	55%	0.551	59%	0.592	S	S	*	*	H	α-helix	trans	-72.9	-27.4	171.8	-68.4	-169.1	154.8	0	0	112.7	V48 V49 I56	V48-E52 PolarHBondContact O-N 3.22Å; V49-E52 CarbonylContact O-C 3.59Å; V49-E52 PolarHBondContact O-N 3.05Å; V49-E52 VanDerWaalsContact O-N 3.13Å; E52-I56 WeakPolarHBondContact O-CD1 3.38Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.04Å
53	E	54.2	Low	56	Low	73 Å²	73	110.8 Å²	110.8	34%	0.341	59%	0.588	S	S	.	*	H	α-helix	trans	-65	-42.1	170.1	-56.9	-131.6	109.1	0	0	111.4	V49 Q50 R70	V49-E53 HydrophobicContact CG1-CG 4.25Å; V49-E53 WeakPolarHBondContact O-CG 3.29Å; V49-E53 PolarHBondContact O-N 2.71Å; Q50-E53 WeakPolarHBondContact O-CB 3.44Å; Q50-E53 PolarHBondContact O-N 3.31Å; E53-R70 VanDerWaalsContact CG-NH1 3.34Å; E53-R70 VanDerWaalsContact OE1-CD 3.25Å; E53-R70 WeakPolarHBondContact OE1-CD 3.46Å; E53-R70 IonicContact OE1-CZ 2.61Å; E53-R70 IonicContact OE1-NE 3.87Å; E53-R70 IonicContact OE1-NH1 2.72Å; E53-R70 PolarHBondContact OE1-NH1 3.14Å
54	E	55.3	Low	57.3	Low	154 Å²	154	106.8 Å²	106.8	72%	0.72	59%	0.585	S	S	*	*	H	α-helix	trans	-77.5	-32.3	178.7	-67.7	-169.2	146.5	0	0	114	Q50 R51	Q50-E54 PolarHBondContact O-N 2.72Å; Q50-E54 VanDerWaalsContact O-N 3.09Å; R51-E54 PolarHBondContact O-N 3.12Å
55	A	56.9	Low	58.3	Low	77 Å²	77	106.1 Å²	106.1	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-75.7	-24.7	-175.2	0	0	0	0	0	114.3	R51 Q57	R51-A55 WeakPolarHBondContact O-CB 3.31Å; R51-A55 PolarHBondContact O-N 2.9Å; A55-Q57 VanDerWaalsContact C-N 3.32Å; A55-Q57 PolarHBondContact O-N 2.98Å
56	I	55.8	Low	59.1	Low	87 Å²	87	101.2 Å²	101.2	45%	0.446	55%	0.549	S	S	.	.			trans	-84.4	75.3	-177.2	-58.4	168.2	0	0	0	109.9	E52 L58 I66	E52-I56 WeakPolarHBondContact O-CD1 3.38Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.04Å; I56-L58 PolarHBondContact O-N 3.24Å; I56-I66 WeakPolarHBondContact O-CD1 3.23Å
57	Q	55.1	Low	60.2	Low	170 Å²	170	101.5 Å²	101.5	79%	0.794	55%	0.545	S	S	*	.			trans	-73.3	90	165.1	-68.6	-170	9.9	0	0	109.9	A55 D59	A55-Q57 VanDerWaalsContact C-N 3.32Å; A55-Q57 PolarHBondContact O-N 2.98Å; Q57-D59 PolarHBondContact O-N 3.43Å
58	L	56.5	Low	61.5	Low	104 Å²	104	100 Å²	100	55%	0.545	54%	0.538	S	S	.	.			trans	-62.4	125.1	162.7	-96.7	157.2	0	0	0	108.9	I56 G60 L61	I56-L58 PolarHBondContact O-N 3.24Å; L58-G60 PolarHBondContact O-N 2.83Å; L58-L61 HydrophobicContact CB-CD1 4.31Å; L58-L61 PolarHBondContact O-N 3.35Å
59	D	53.6	Low	62.5	Low	171 Å²	171	101 Å²	101	91%	0.914	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	120.4	-166.3	-165.3	9.5	0	0	0	112.3	Q57	Q57-D59 PolarHBondContact O-N 3.43Å
60	G	63.3	Low	63.3	Low	77 Å²	77	101.4 Å²	101.4	79%	0.794	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-2.7	-178.3	0	0	0	0	0	117.7	L58	L58-G60 PolarHBondContact O-N 2.83Å
61	L	68.7	Low	64.4	Low	66 Å²	66	102.4 Å²	102.4	35%	0.346	54%	0.538	S	S	.	.			trans	-105.5	142.3	178	-70.3	170.9	0	0	0	112.8	L58 Q65 I66	L58-L61 HydrophobicContact CB-CD1 4.31Å; L58-L61 PolarHBondContact O-N 3.35Å; L61-Q65 HydrophobicContact CD2-CB 4.24Å; L61-I66 HydrophobicContact CB-CD1 4.17Å; L61-I66 HydrophobicContact CB-CG1 3.89Å
62	N	73.5	Confident	65.6	Low	79 Å²	79	100.8 Å²	100.8	42%	0.422	54%	0.536	S	S	.	.			trans	-90.6	162.8	174.5	81.8	16.1	0	0	0	112.6	S64 Q65 I66	N62-S64 VanDerWaalsContact C-N 3.3Å; N62-S64 PolarHBondContact O-N 2.97Å; N62-S64 PolarHBondContact OD1-N 3.05Å; N62-S64 PolarHBondContact OD1-OG 2.72Å; N62-Q65 PolarHBondContact O-N 2.94Å; N62-Q65 VanDerWaalsContact O-N 3.13Å; N62-Q65 WeakPolarHBondContact OD1-CB 3.44Å; N62-Q65 VanDerWaalsContact OD1-CG 3.26Å; N62-Q65 WeakPolarHBondContact OD1-CG 3.02Å; N62-Q65 PolarHBondContact OD1-N 3.1Å; N62-Q65 PolarHBondContact OD1-OE1 3.43Å; N62-I66 WeakPolarHBondContact O-CG1 3.42Å; N62-I66 PolarHBondContact O-N 3Å
63	A	65.8	Low	66.8	Low	75 Å²	75	98.4 Å²	98.4	62%	0.62	53%	0.532	S	S	*	.	H	α-helix	trans	-58.8	-35.4	-174.9	0	0	0	0	0	114.1	I66 K67	A63-I66 PolarHBondContact O-N 2.89Å; A63-K67 WeakPolarHBondContact O-CB 3.32Å; A63-K67 PolarHBondContact O-N 2.77Å
64	S	68.6	Low	68.3	Low	81 Å²	81	102.5 Å²	102.5	57%	0.566	55%	0.552	S	S	*	*	H	α-helix	trans	-72.3	-35.8	177.1	46.7	0	0	0	0	112.7	N62 K67 E68	N62-S64 VanDerWaalsContact C-N 3.3Å; N62-S64 PolarHBondContact O-N 2.97Å; N62-S64 PolarHBondContact OD1-N 3.05Å; N62-S64 PolarHBondContact OD1-OG 2.72Å; S64-K67 PolarHBondContact O-N 2.67Å; S64-E68 WeakPolarHBondContact O-CB 3.5Å; S64-E68 PolarHBondContact O-N 2.79Å
65	Q	70.3	Confident	69.6	Low	84 Å²	84	104.7 Å²	104.7	39%	0.393	56%	0.559	S	S	.	*	H	α-helix	trans	-66.8	-39.5	171.8	-70.3	166.6	-37	0	0	111.7	L61 N62 E68 L69	L61-Q65 HydrophobicContact CD2-CB 4.24Å; N62-Q65 PolarHBondContact O-N 2.94Å; N62-Q65 VanDerWaalsContact O-N 3.13Å; N62-Q65 WeakPolarHBondContact OD1-CB 3.44Å; N62-Q65 VanDerWaalsContact OD1-CG 3.26Å; N62-Q65 WeakPolarHBondContact OD1-CG 3.02Å; N62-Q65 PolarHBondContact OD1-N 3.1Å; N62-Q65 PolarHBondContact OD1-OE1 3.43Å; Q65-E68 PolarHBondContact O-N 2.84Å; Q65-L69 WeakPolarHBondContact O-CB 3.28Å; Q65-L69 VanDerWaalsContact O-CD1 3.29Å; Q65-L69 WeakPolarHBondContact O-CD1 3.49Å; Q65-L69 PolarHBondContact O-N 3.06Å
66	I	69.3	Low	71	Confident	14 Å²	14	108.2 Å²	108.2	7%	0.072	56%	0.562	C	S	.	*	H	α-helix	trans	-63.8	-43	175.5	-67.6	167.1	0	0	0	110.3	I56 L61 N62 A63 L69 R70	I56-I66 WeakPolarHBondContact O-CD1 3.23Å; L61-I66 HydrophobicContact CB-CD1 4.17Å; L61-I66 HydrophobicContact CB-CG1 3.89Å; N62-I66 WeakPolarHBondContact O-CG1 3.42Å; N62-I66 PolarHBondContact O-N 3Å; A63-I66 PolarHBondContact O-N 2.89Å; I66-L69 WeakPolarHBondContact O-CB 3.48Å; I66-L69 PolarHBondContact O-N 3.14Å; I66-R70 WeakPolarHBondContact O-CG 3.48Å; I66-R70 PolarHBondContact O-N 2.94Å
67	K	72.1	Confident	72.5	Confident	115 Å²	115	108.2 Å²	108.2	50%	0.5	58%	0.575	S	S	.	*	H	α-helix	trans	-62.9	-46.1	174.4	-177.7	163.4	-179.4	160.4	0	112.3	A63 S64 L69 R70 E71	A63-K67 WeakPolarHBondContact O-CB 3.32Å; A63-K67 PolarHBondContact O-N 2.77Å; S64-K67 PolarHBondContact O-N 2.67Å; K67-L69 VanDerWaalsContact C-N 3.27Å; K67-L69 PolarHBondContact O-N 3.05Å; K67-R70 PolarHBondContact O-N 3.29Å; K67-R70 VanDerWaalsContact O-N 3.11Å; K67-E71 WeakPolarHBondContact CE-OE1 2.93Å; K67-E71 HydrophobicContact CG-CG 4.47Å; K67-E71 WeakPolarHBondContact O-CG 3.44Å; K67-E71 PolarHBondContact O-N 3.26Å
68	E	76.4	Confident	74	Confident	103 Å²	103	110.6 Å²	110.6	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-64.7	-30.6	176.9	-168.1	178.8	-174.5	0	0	112.3	S64 Q65 K72	S64-E68 WeakPolarHBondContact O-CB 3.5Å; S64-E68 PolarHBondContact O-N 2.79Å; Q65-E68 PolarHBondContact O-N 2.84Å; E68-K72 VanDerWaalsContact CD-NZ 3.32Å; E68-K72 HydrophobicContact CG-CD 4.26Å; E68-K72 WeakPolarHBondContact O-CB 3.46Å; E68-K72 WeakPolarHBondContact O-CD 3.49Å; E68-K72 VanDerWaalsContact O-CG 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.47Å; E68-K72 PolarHBondContact O-N 3.18Å; E68-K72 WeakPolarHBondContact OE1-CE 3.17Å; E68-K72 IonicContact OE1-NZ 3.18Å; E68-K72 PolarHBondContact OE1-NZ 2.92Å
69	L	74.5	Confident	75.3	Confident	96 Å²	96	114.9 Å²	114.9	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-66	-49.3	167.5	-104.2	86.7	0	0	0	111.7	Q65 I66 K67 E71 K72 S73	Q65-L69 WeakPolarHBondContact O-CB 3.28Å; Q65-L69 VanDerWaalsContact O-CD1 3.29Å; Q65-L69 WeakPolarHBondContact O-CD1 3.49Å; Q65-L69 PolarHBondContact O-N 3.06Å; I66-L69 WeakPolarHBondContact O-CB 3.48Å; I66-L69 PolarHBondContact O-N 3.14Å; K67-L69 VanDerWaalsContact C-N 3.27Å; K67-L69 PolarHBondContact O-N 3.05Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 3.46Å; L69-K72 CarbonylContact O-C 3.55Å; L69-K72 PolarHBondContact O-N 3.1Å; L69-K72 VanDerWaalsContact O-N 3.12Å; L69-S73 WeakPolarHBondContact O-CB 3.23Å; L69-S73 PolarHBondContact O-N 3.37Å; L69-S73 PolarHBondContact O-OG 3.35Å
70	R	72.3	Confident	76.7	Confident	84 Å²	84	109.9 Å²	109.9	32%	0.317	58%	0.583	S	S	.	*	H	α-helix	trans	-60.7	-40.3	-179.2	-72.7	179.9	-170.3	-146.6	2.8	111.8	E53 I66 K67 K72 S73	E53-R70 VanDerWaalsContact CG-NH1 3.34Å; E53-R70 VanDerWaalsContact OE1-CD 3.25Å; E53-R70 WeakPolarHBondContact OE1-CD 3.46Å; E53-R70 IonicContact OE1-CZ 2.61Å; E53-R70 IonicContact OE1-NE 3.87Å; E53-R70 IonicContact OE1-NH1 2.72Å; E53-R70 PolarHBondContact OE1-NH1 3.14Å; I66-R70 WeakPolarHBondContact O-CG 3.48Å; I66-R70 PolarHBondContact O-N 2.94Å; K67-R70 PolarHBondContact O-N 3.29Å; K67-R70 VanDerWaalsContact O-N 3.11Å; R70-K72 VanDerWaalsContact C-N 3.3Å; R70-K72 PolarHBondContact O-N 2.98Å; R70-S73 PolarHBondContact O-N 2.9Å
71	E	78.6	Confident	77.8	Confident	140 Å²	140	111.8 Å²	111.8	65%	0.654	57%	0.571	S	S	*	*	H	α-helix	trans	-68.8	-25.5	176.3	-71.9	176.6	-172.1	0	0	113.2	K67 L69	K67-E71 WeakPolarHBondContact CE-OE1 2.93Å; K67-E71 HydrophobicContact CG-CG 4.47Å; K67-E71 WeakPolarHBondContact O-CG 3.44Å; K67-E71 PolarHBondContact O-N 3.26Å; L69-E71 VanDerWaalsContact C-N 3.33Å; L69-E71 PolarHBondContact O-N 3.46Å
72	K	82	Confident	78.5	Confident	149 Å²	149	112.4 Å²	112.4	65%	0.648	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	3.7	175	-65.2	174.3	-169.9	173	0	113.9	E68 L69 R70	E68-K72 VanDerWaalsContact CD-NZ 3.32Å; E68-K72 HydrophobicContact CG-CD 4.26Å; E68-K72 WeakPolarHBondContact O-CB 3.46Å; E68-K72 WeakPolarHBondContact O-CD 3.49Å; E68-K72 VanDerWaalsContact O-CG 3.27Å; E68-K72 WeakPolarHBondContact O-CG 3.47Å; E68-K72 PolarHBondContact O-N 3.18Å; E68-K72 WeakPolarHBondContact OE1-CE 3.17Å; E68-K72 IonicContact OE1-NZ 3.18Å; E68-K72 PolarHBondContact OE1-NZ 2.92Å; L69-K72 CarbonylContact O-C 3.55Å; L69-K72 PolarHBondContact O-N 3.1Å; L69-K72 VanDerWaalsContact O-N 3.12Å; R70-K72 VanDerWaalsContact C-N 3.3Å; R70-K72 PolarHBondContact O-N 2.98Å
73	S	79.5	Confident	78.9	Confident	67 Å²	67	112.7 Å²	112.7	47%	0.469	58%	0.579	S	S	.	*			trans	-85.5	124.6	-177.7	-67.9	0	0	0	0	111.2	L69 R70 K75	L69-S73 WeakPolarHBondContact O-CB 3.23Å; L69-S73 PolarHBondContact O-N 3.37Å; L69-S73 PolarHBondContact O-OG 3.35Å; R70-S73 PolarHBondContact O-N 2.9Å; S73-K75 PolarHBondContact O-N 3.13Å
74	E	85.5	Confident	79.7	Confident	159 Å²	159	117.5 Å²	117.5	74%	0.743	58%	0.581	S	S	*	*			trans	-69.3	123.1	173.4	-67.4	-171.3	-165.7	0	0	110.9	H76	E74-H76 PolarHBondContact O-N 2.94Å; E74-H76 IonicContact OE2-CE1 3.3Å; E74-H76 PolarHBondContact OE2-CE1 2.82Å
75	K	83.6	Confident	80.5	Confident	201 Å²	201	116.9 Å²	116.9	87%	0.874	57%	0.57	S	S	*	*			trans	-91.3	98.8	178.3	-66.7	-175.4	-180	-177.8	0	109.9	S73	S73-K75 PolarHBondContact O-N 3.13Å
76	H	86.8	Confident	81.1	Confident	151 Å²	151	113.8 Å²	113.8	70%	0.699	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-86.5	133.2	171.9	-50.7	-63.6	0	0	0	110.8	E74	E74-H76 PolarHBondContact O-N 2.94Å; E74-H76 IonicContact OE2-CE1 3.3Å; E74-H76 PolarHBondContact OE2-CE1 2.82Å
77	A	87.3	Confident	81.8	Confident	87 Å²	87	118.9 Å²	118.9	72%	0.719	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-76.7	147.5	168.6	0	0	0	0	0	110.5	Q79	A77-Q79 PolarHBondContact O-N 2.94Å
78	F	86.7	Confident	82.4	Confident	219 Å²	219	118.4 Å²	118.4	96%	0.961	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-62	124.9	174	-71.4	-78.8	0	0	0	110.7
79	Q	83.3	Confident	82.8	Confident	194 Å²	194	114.2 Å²	114.2	91%	0.907	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-100.5	147.6	173	-64	-176.6	-6	0	0	109.9	A77	A77-Q79 PolarHBondContact O-N 2.94Å
80	A	82.9	Confident	83.2	Confident	67 Å²	67	110.5 Å²	110.5	55%	0.554	54%	0.541	S	S	*	.			trans	-136.2	132.9	-178.1	0	0	0	0	0	111.8	V82 M85	A80-V82 PolarHBondContact O-N 2.73Å; A80-V82 VanDerWaalsContact O-N 3.17Å; A80-M85 HydrophobicContact CB-CE 3.53Å; A80-M85 HydrophobicContact CB-SD 3.73Å
81	E	85.9	Confident	83.6	Confident	116 Å²	116	112 Å²	112	54%	0.542	56%	0.555	S	S	.	*			trans	-79.9	95.5	-179.4	-172.7	-169.9	172	0	0	110.3	N83 R84 M85	E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 2.72Å; E81-R84 HydrophobicContact CB-CB 4.06Å; E81-R84 VanDerWaalsContact CD-CB 3.48Å; E81-R84 HydrophobicContact CG-CB 3.85Å; E81-R84 PolarHBondContact O-N 2.7Å; E81-R84 WeakPolarHBondContact OE2-CB 3.44Å; E81-R84 WeakPolarHBondContact OE2-CD 3.48Å; E81-R84 IonicContact OE2-NH1 2.69Å; E81-M85 PolarHBondContact O-N 2.95Å
82	V	83.8	Confident	83.9	Confident	80 Å²	80	109.6 Å²	109.6	49%	0.485	55%	0.554	S	S	.	*	H	α-helix	trans	-50.9	-48.1	-174.7	-178.1	0	0	0	0	112.4	A80 R84 M85 M86 I166	A80-V82 PolarHBondContact O-N 2.73Å; A80-V82 VanDerWaalsContact O-N 3.17Å; V82-R84 PolarHBondContact O-N 3.33Å; V82-M85 HydrophobicContact CG2-CE 4.37Å; V82-M85 PolarHBondContact O-N 3.45Å; V82-M86 WeakPolarHBondContact O-CB 3.49Å; V82-M86 PolarHBondContact O-N 3.4Å; V82-I166 HydrophobicContact CG1-CD1 3.84Å
83	N	81.5	Confident	83.9	Confident	85 Å²	85	104.6 Å²	104.6	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-59.8	-30.5	-179.8	-63.7	-4.9	0	0	0	113.1	E81 K87	E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 2.72Å; N83-K87 WeakPolarHBondContact O-CG 3.39Å; N83-K87 PolarHBondContact O-N 2.73Å
84	R	83.4	Confident	84.1	Confident	176 Å²	176	102.4 Å²	102.4	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-86.7	-35	178.9	-172	172.2	-179.3	175.5	0.2	112	E81 V82 K87 L88	E81-R84 HydrophobicContact CB-CB 4.06Å; E81-R84 VanDerWaalsContact CD-CB 3.48Å; E81-R84 HydrophobicContact CG-CB 3.85Å; E81-R84 PolarHBondContact O-N 2.7Å; E81-R84 WeakPolarHBondContact OE2-CB 3.44Å; E81-R84 WeakPolarHBondContact OE2-CD 3.48Å; E81-R84 IonicContact OE2-NH1 2.69Å; V82-R84 PolarHBondContact O-N 3.33Å; R84-K87 PolarHBondContact O-N 3.02Å; R84-L88 PolarHBondContact O-N 2.69Å; R84-L88 VanDerWaalsContact O-N 3.09Å
85	M	84.1	Confident	84	Confident	68 Å²	68	103.8 Å²	103.8	34%	0.335	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-45.3	169.8	-69	-165.5	-65.8	0	0	111.5	A80 E81 V82 K87 L88 I89 I166	A80-M85 HydrophobicContact CB-CE 3.53Å; A80-M85 HydrophobicContact CB-SD 3.73Å; E81-M85 PolarHBondContact O-N 2.95Å; V82-M85 HydrophobicContact CG2-CE 4.37Å; V82-M85 PolarHBondContact O-N 3.45Å; M85-K87 VanDerWaalsContact C-N 3.34Å; M85-K87 PolarHBondContact O-N 2.96Å; M85-L88 WeakPolarHBondContact O-CB 3.23Å; M85-L88 PolarHBondContact O-N 3.27Å; M85-I89 WeakPolarHBondContact O-CG1 3.4Å; M85-I89 PolarHBondContact O-N 3.26Å; M85-I166 HydrophobicContact CB-CD1 4.11Å; M85-I166 HydrophobicContact CE-CD1 4.42Å
86	M	83.1	Confident	84.1	Confident	18 Å²	18	97.7 Å²	97.7	9%	0.089	50%	0.496	C	S	.	.	H	α-helix	trans	-57.6	-46.6	177.3	-169	65.5	79.9	0	0	111.4	V82 L88 I89 I90 I166 Y200	V82-M86 WeakPolarHBondContact O-CB 3.49Å; V82-M86 PolarHBondContact O-N 3.4Å; M86-L88 VanDerWaalsContact C-N 3.28Å; M86-L88 PolarHBondContact O-N 3.16Å; M86-I89 PolarHBondContact O-N 2.89Å; M86-I90 HydrophobicContact CG-CD1 3.87Å; M86-I90 WeakPolarHBondContact O-CG1 3.28Å; M86-I90 PolarHBondContact O-N 2.82Å; M86-I90 HydrophobicContact SD-CD1 4.35Å; M86-I166 HydrophobicContact CB-CD1 4.4Å; M86-I166 HydrophobicContact CE-CD1 4.02Å; M86-I166 HydrophobicContact CE-CG1 4.27Å; M86-Y200 HydrophobicContact CE-CD1 3.61Å; M86-Y200 HydrophobicContact CE-CE1 3.71Å; M86-Y200 HydrophobicContact CE-CG 4.13Å; M86-Y200 HydrophobicContact SD-CD1 3.78Å; M86-Y200 HydrophobicContact SD-CD2 4.49Å; M86-Y200 HydrophobicContact SD-CE1 4.46Å; M86-Y200 HydrophobicContact SD-CG 3.79Å
87	K	84.1	Confident	84.1	Confident	122 Å²	122	94.5 Å²	94.5	53%	0.53	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-29.7	176.2	-73.2	175	-177.7	-179.9	0	113.5	N83 R84 M85 N91	N83-K87 WeakPolarHBondContact O-CG 3.39Å; N83-K87 PolarHBondContact O-N 2.73Å; R84-K87 PolarHBondContact O-N 3.02Å; M85-K87 VanDerWaalsContact C-N 3.34Å; M85-K87 PolarHBondContact O-N 2.96Å; K87-N91 VanDerWaalsContact O-CB 3.3Å; K87-N91 WeakPolarHBondContact O-CB 3.32Å; K87-N91 PolarHBondContact O-N 3.1Å; K87-N91 PolarHBondContact O-ND2 2.85Å
88	L	85.4	Confident	84.2	Confident	104 Å²	104	92.2 Å²	92.2	55%	0.545	46%	0.455	S	S	.	.	H	α-helix	trans	-74.9	-43.6	175.2	-159.8	164.4	0	0	0	111.1	R84 M85 M86 I90 S92 L93	R84-L88 PolarHBondContact O-N 2.69Å; R84-L88 VanDerWaalsContact O-N 3.09Å; M85-L88 WeakPolarHBondContact O-CB 3.23Å; M85-L88 PolarHBondContact O-N 3.27Å; M86-L88 VanDerWaalsContact C-N 3.28Å; M86-L88 PolarHBondContact O-N 3.16Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 2.6Å; L88-S92 WeakPolarHBondContact O-CA 3.42Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-L93 PolarHBondContact O-N 2.94Å; L88-L93 VanDerWaalsContact O-N 3.14Å
89	I	83.9	Confident	84.3	Confident	15 Å²	15	81.8 Å²	81.8	8%	0.077	41%	0.409	C	S	.	.	H	α-helix	trans	-58.1	-44.4	174.4	-68.6	165.9	0	0	0	110.7	M85 M86 L93 Y94 I166 V197	M85-I89 WeakPolarHBondContact O-CG1 3.4Å; M85-I89 PolarHBondContact O-N 3.26Å; M86-I89 PolarHBondContact O-N 2.89Å; I89-L93 HydrophobicContact CB-CD2 4.46Å; I89-L93 HydrophobicContact CG1-CD2 4.36Å; I89-L93 HydrophobicContact CG2-CD2 4.09Å; I89-L93 WeakPolarHBondContact O-CB 3.11Å; I89-Y94 HydrophobicContact CG2-CE2 4.33Å; I89-Y94 WeakPolarHBondContact O-CD2 3.44Å; I89-I166 HydrophobicContact CD1-CD1 4.35Å; I89-I166 HydrophobicContact CD1-CG2 3.6Å; I89-V197 HydrophobicContact CD1-CG1 4.11Å
90	I	83.3	Confident	84.7	Confident	19 Å²	19	72.6 Å²	72.6	10%	0.097	37%	0.366	C	S	.	.	H	α-helix	trans	-73.4	-50.8	179.6	-62.3	164.5	0	0	0	111.5	M86 L88 F203 L204	M86-I90 HydrophobicContact CG-CD1 3.87Å; M86-I90 WeakPolarHBondContact O-CG1 3.28Å; M86-I90 PolarHBondContact O-N 2.82Å; M86-I90 HydrophobicContact SD-CD1 4.35Å; L88-I90 VanDerWaalsContact C-N 3.32Å; L88-I90 PolarHBondContact O-N 2.6Å; I90-F203 HydrophobicContact CD1-CB 3.55Å; I90-F203 HydrophobicContact CD1-CG 4.31Å; I90-F203 HydrophobicContact CG1-CB 3.93Å; I90-L204 HydrophobicContact CG2-CD2 4.39Å; I90-L204 WeakPolarHBondContact O-CD2 3.33Å
91	N	81.7	Confident	85.1	Confident	115 Å²	115	69.6 Å²	69.6	62%	0.615	34%	0.34	S	S	*	.	H	α-helix	trans	-98.8	-1.7	-166.1	-56.5	-74.8	0	0	0	115.3	K87	K87-N91 VanDerWaalsContact O-CB 3.3Å; K87-N91 WeakPolarHBondContact O-CB 3.32Å; K87-N91 PolarHBondContact O-N 3.1Å; K87-N91 PolarHBondContact O-ND2 2.85Å
92	S	83.3	Confident	85.3	Confident	89 Å²	89	64.1 Å²	64.1	62%	0.622	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	-13.1	-171.1	-55.4	0	0	0	0	116	L88	L88-S92 WeakPolarHBondContact O-CA 3.42Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.43Å
93	L	82.7	Confident	85.7	Confident	45 Å²	45	60.5 Å²	60.5	24%	0.236	29%	0.293	C	S	.	.	S	Bend	trans	-80.5	-28.1	179.1	-174.5	60.2	0	0	0	113.4	L88 I89 V197 V450 S451	L88-L93 PolarHBondContact O-N 2.94Å; L88-L93 VanDerWaalsContact O-N 3.14Å; I89-L93 HydrophobicContact CB-CD2 4.46Å; I89-L93 HydrophobicContact CG1-CD2 4.36Å; I89-L93 HydrophobicContact CG2-CD2 4.09Å; I89-L93 WeakPolarHBondContact O-CB 3.11Å; L93-V197 HydrophobicContact CD2-CG2 4.31Å; L93-V450 HydrophobicContact CD1-CB 3.97Å; L93-V450 HydrophobicContact CD1-CG1 3.87Å; L93-V450 HydrophobicContact CD2-CG1 4.11Å; L93-V450 HydrophobicContact CG-CG1 4.5Å; L93-S451 WeakPolarHBondContact O-CB 3.42Å
94	Y	84.2	Confident	86.2	Confident	21 Å²	21	56.5 Å²	56.5	8%	0.082	27%	0.271	C	S	.	.			trans	-125.7	138.6	-166.6	-59.9	-63.8	0	0	0	110.7	I89 I99 L204	I89-Y94 HydrophobicContact CG2-CE2 4.33Å; I89-Y94 WeakPolarHBondContact O-CD2 3.44Å; Y94-I99 HydrophobicContact CD1-CD1 3.03Å; Y94-I99 HydrophobicContact CD1-CG1 4.49Å; Y94-I99 HydrophobicContact CD2-CD1 4.12Å; Y94-I99 HydrophobicContact CE1-CD1 3.52Å; Y94-I99 HydrophobicContact CG-CD1 3.36Å; Y94-L204 HydrophobicContact CD2-CD1 4.11Å; Y94-L204 HydrophobicContact CG-CD1 4.49Å
95	K	82.8	Confident	86.6	Confident	187 Å²	187	48.1 Å²	48.1	81%	0.813	24%	0.24	S	C	*	.	S	Bend	trans	-89.5	-44.9	178.7	-69.8	-177.6	177.9	179.7	0	112.6
96	N	85.7	Confident	86.9	Confident	74 Å²	74	44.9 Å²	44.9	40%	0.396	22%	0.224	S	C	.	.			trans	-103.6	127.1	-175.2	-51.4	-67.5	0	0	0	109.2	E98 I99 E453	N96-E98 VanDerWaalsContact C-N 3.25Å; N96-E98 HydrophobicContact CB-CG 3.95Å; N96-E98 PolarHBondContact O-N 2.85Å; N96-I99 HydrophobicContact CB-CG2 4.5Å; N96-I99 WeakPolarHBondContact O-CG1 3.49Å; N96-E453 PolarHBondContact ND2-OE1 3.5Å
97	K	87.8	Confident	87.3	Confident	84 Å²	84	46.2 Å²	46.2	37%	0.365	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-66.4	-28.7	180	-66.8	-176.6	-178.2	179	0	112.8	I99 F100 V205 E256	K97-I99 PolarHBondContact O-N 3.27Å; K97-I99 VanDerWaalsContact O-N 3.08Å; K97-F100 WeakPolarHBondContact O-CD1 3.47Å; K97-F100 PolarHBondContact O-N 3.4Å; K97-V205 HydrophobicContact CB-CG1 4.33Å; K97-E256 IonicContact NZ-OE1 2.65Å; K97-E256 PolarHBondContact NZ-OE1 2.82Å; K97-E256 IonicContact NZ-OE2 3.71Å; K97-E256 PolarHBondContact NZ-OE2 2.77Å
98	E	88.9	Confident	87.7	Confident	39 Å²	39	40.5 Å²	40.5	18%	0.182	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.7	-22.4	-174.3	67.9	-178.9	142.7	0	0	115.7	N96 F100 F260 L269 K272 Y273	N96-E98 VanDerWaalsContact C-N 3.25Å; N96-E98 HydrophobicContact CB-CG 3.95Å; N96-E98 PolarHBondContact O-N 2.85Å; E98-F100 PolarHBondContact O-N 2.89Å; E98-F100 VanDerWaalsContact O-N 3.12Å; E98-F260 HydrophobicContact CB-CE1 4.21Å; E98-L269 HydrophobicContact CB-CD1 4.49Å; E98-L269 HydrophobicContact CB-CD2 3.71Å; E98-L269 HydrophobicContact CG-CD2 4.34Å; E98-L269 WeakPolarHBondContact OE2-CD2 3.41Å; E98-K272 IonicContact OE1-NZ 3.64Å; E98-K272 PolarHBondContact OE1-NZ 3.46Å; E98-K272 IonicContact OE2-NZ 3.4Å; E98-K272 PolarHBondContact OE2-NZ 3.19Å; E98-Y273 HydrophobicContact CG-CE2 3.9Å; E98-Y273 PolarHBondContact OE1-OH 3.23Å; E98-Y273 VanDerWaalsContact OE1-OH 3.12Å; E98-Y273 WeakPolarHBondContact OE2-CE2 3.48Å
99	I	88.3	Confident	87.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-65.3	-14.9	-176.3	67.5	178	0	0	0	113.9	Y94 N96 K97 L101 R102 E103 L204	Y94-I99 HydrophobicContact CD1-CD1 3.03Å; Y94-I99 HydrophobicContact CD1-CG1 4.49Å; Y94-I99 HydrophobicContact CD2-CD1 4.12Å; Y94-I99 HydrophobicContact CE1-CD1 3.52Å; Y94-I99 HydrophobicContact CG-CD1 3.36Å; N96-I99 HydrophobicContact CB-CG2 4.5Å; N96-I99 WeakPolarHBondContact O-CG1 3.49Å; K97-I99 PolarHBondContact O-N 3.27Å; K97-I99 VanDerWaalsContact O-N 3.08Å; I99-L101 PolarHBondContact O-N 3.09Å; I99-R102 WeakPolarHBondContact O-CA 3.41Å; I99-R102 VanDerWaalsContact O-CB 3.31Å; I99-R102 WeakPolarHBondContact O-CB 3.48Å; I99-R102 PolarHBondContact O-N 2.9Å; I99-E103 PolarHBondContact O-N 3.1Å; I99-L204 HydrophobicContact CD1-CD1 4.33Å; I99-L204 HydrophobicContact CG1-CD1 4.09Å
100	F	91.1	Very high	88.2	Confident	1 Å²	1	35 Å²	35	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-54.3	-40.2	-178.5	80.7	-83.5	0	0	0	110.6	K97 E98 E103 L104 L145 S201 V205 L249 F260	K97-F100 WeakPolarHBondContact O-CD1 3.47Å; K97-F100 PolarHBondContact O-N 3.4Å; E98-F100 PolarHBondContact O-N 2.89Å; E98-F100 VanDerWaalsContact O-N 3.12Å; F100-E103 PolarHBondContact O-N 3.38Å; F100-L104 HydrophobicContact CD2-CD1 4.08Å; F100-L104 WeakPolarHBondContact O-CB 3.36Å; F100-L104 VanDerWaalsContact O-CG 3.24Å; F100-L104 WeakPolarHBondContact O-CG 3.21Å; F100-L104 PolarHBondContact O-N 2.82Å; F100-L145 HydrophobicContact CE2-CD2 3.85Å; F100-L145 HydrophobicContact CZ-CD2 3.89Å; F100-S201 WeakPolarHBondContact CB-O 3.5Å; F100-V205 HydrophobicContact CB-CG2 4.29Å; F100-V205 HydrophobicContact CD1-CB 4.34Å; F100-V205 HydrophobicContact CD1-CG1 3.65Å; F100-V205 HydrophobicContact CD1-CG2 3.72Å; F100-V205 HydrophobicContact CD2-CG2 3.63Å; F100-V205 HydrophobicContact CE1-CB 4.47Å; F100-V205 HydrophobicContact CE1-CG1 3.91Å; F100-V205 HydrophobicContact CE1-CG2 3.93Å; F100-V205 HydrophobicContact CE2-CG2 3.87Å; F100-V205 HydrophobicContact CG-CG1 4.24Å; F100-V205 HydrophobicContact CG-CG2 3.57Å; F100-V205 HydrophobicContact CZ-CG2 4.01Å; F100-L249 HydrophobicContact CD2-CD1 3.6Å; F100-L249 HydrophobicContact CE2-CD1 3.48Å; F100-L249 VanDerWaalsContact CE2-CD1 3.48Å; F100-F260 HydrophobicContact CE1-CB 4.32Å; F100-F260 AromaticContact CE1-CD1 3.69Å; F100-F260 HydrophobicContact CE1-CD1 3.69Å; F100-F260 HydrophobicContact CE1-CD2 4.3Å; F100-F260 HydrophobicContact CE1-CE1 4.03Å; F100-F260 AromaticContact CE1-CG 3.84Å; F100-F260 HydrophobicContact CE1-CG 3.84Å; F100-F260 HydrophobicContact CE1-CZ 4.48Å; F100-F260 HydrophobicContact CZ-CB 4.17Å; F100-F260 HydrophobicContact CZ-CD1 4.26Å; F100-F260 HydrophobicContact CZ-CG 4.2Å
101	L	91.2	Very high	88.6	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-36	179.4	-167.3	61.8	0	0	0	111.5	I99 I105 I136 I147 I266 L269 V270	I99-L101 PolarHBondContact O-N 3.09Å; L101-I105 HydrophobicContact CD1-CD1 4.04Å; L101-I105 HydrophobicContact CD1-CG1 4.27Å; L101-I105 HydrophobicContact CD2-CD1 4.47Å; L101-I105 HydrophobicContact CG-CD1 3.77Å; L101-I105 HydrophobicContact CG-CG1 4.39Å; L101-I105 WeakPolarHBondContact O-CB 3.49Å; L101-I105 WeakPolarHBondContact O-CG1 3.29Å; L101-I105 PolarHBondContact O-N 3.28Å; L101-I136 HydrophobicContact CD1-CD1 4.39Å; L101-I147 HydrophobicContact CD1-CD1 3.69Å; L101-I147 HydrophobicContact CD1-CG1 4.19Å; L101-I266 HydrophobicContact CD2-CG2 4.43Å; L101-L269 HydrophobicContact CD2-CB 3.87Å; L101-L269 HydrophobicContact CD2-CD1 4.38Å; L101-V270 HydrophobicContact CD2-CG2 3.97Å
102	R	91.5	Very high	89	Confident	1 Å²	1	29.2 Å²	29.2	0%	0.004	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-50.2	172.7	-179.3	-167.4	72.6	-167.1	-6	111.3	I99 S106 Y273 V420 S451 R452	I99-R102 WeakPolarHBondContact O-CA 3.41Å; I99-R102 VanDerWaalsContact O-CB 3.31Å; I99-R102 WeakPolarHBondContact O-CB 3.48Å; I99-R102 PolarHBondContact O-N 2.9Å; R102-S106 VanDerWaalsContact O-CB 3.29Å; R102-S106 WeakPolarHBondContact O-CB 3.46Å; R102-S106 PolarHBondContact O-N 3.01Å; R102-S106 PolarHBondContact O-OG 3.24Å; R102-Y273 HydrophobicContact CB-CD1 4.27Å; R102-Y273 HydrophobicContact CB-CG 4.01Å; R102-Y273 HydrophobicContact CG-CD1 4.17Å; R102-Y273 HydrophobicContact CG-CG 4.25Å; R102-V420 HydrophobicContact CG-CG1 3.77Å; R102-S451 PolarHBondContact NH2-O 3.04Å; R102-R452 PolarHBondContact NH1-O 2.94Å
103	E	90.8	Very high	89.3	Confident	4 Å²	4	25 Å²	25	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-65.5	-40.8	-179.5	-61.2	-54.6	118.9	0	0	111.3	I99 F100 S106 N107 G198 R452	I99-E103 PolarHBondContact O-N 3.1Å; F100-E103 PolarHBondContact O-N 3.38Å; E103-S106 PolarHBondContact O-N 3.22Å; E103-N107 PolarHBondContact O-N 2.6Å; E103-N107 PolarHBondContact O-ND2 3.5Å; E103-N107 VanDerWaalsContact O-ND2 3.14Å; E103-G198 WeakPolarHBondContact CB-O 3.5Å; E103-R452 WeakPolarHBondContact OE1-CD 3.13Å; E103-R452 IonicContact OE1-NE 2.76Å; E103-R452 IonicContact OE2-CZ 2.89Å; E103-R452 IonicContact OE2-NE 2.09Å; E103-R452 PolarHBondContact OE2-NE 3.11Å; E103-R452 VanDerWaalsContact OE2-NE 3.08Å
104	L	92.6	Very high	89.5	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-67.9	-43.1	179.6	-66.8	177.4	0	0	0	112.7	F100 S106 N107 A108 I147 F199 A202 I247 L249	F100-L104 HydrophobicContact CD2-CD1 4.08Å; F100-L104 WeakPolarHBondContact O-CB 3.36Å; F100-L104 VanDerWaalsContact O-CG 3.24Å; F100-L104 WeakPolarHBondContact O-CG 3.21Å; F100-L104 PolarHBondContact O-N 2.82Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.01Å; L104-N107 PolarHBondContact O-N 3.11Å; L104-A108 PolarHBondContact O-N 2.94Å; L104-I147 HydrophobicContact CB-CD1 4.05Å; L104-I147 HydrophobicContact CD1-CD1 3.57Å; L104-I147 HydrophobicContact CG-CD1 4.47Å; L104-F199 HydrophobicContact CD2-CD2 4.16Å; L104-A202 HydrophobicContact CD1-CB 4.34Å; L104-I247 HydrophobicContact CD1-CG2 4.4Å; L104-I247 HydrophobicContact CD2-CD1 3.84Å; L104-I247 HydrophobicContact CD2-CG2 4.4Å; L104-L249 HydrophobicContact CD1-CD1 3.89Å; L104-L249 HydrophobicContact CD1-CD2 4.2Å; L104-L249 HydrophobicContact CD1-CG 4.43Å
105	I	92.7	Very high	89.7	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-34	173.8	-62.1	170.7	0	0	0	110.8	L101 A108 S109 I134 I136 V270 I277 I281	L101-I105 HydrophobicContact CD1-CD1 4.04Å; L101-I105 HydrophobicContact CD1-CG1 4.27Å; L101-I105 HydrophobicContact CD2-CD1 4.47Å; L101-I105 HydrophobicContact CG-CD1 3.77Å; L101-I105 HydrophobicContact CG-CG1 4.39Å; L101-I105 WeakPolarHBondContact O-CB 3.49Å; L101-I105 WeakPolarHBondContact O-CG1 3.29Å; L101-I105 PolarHBondContact O-N 3.28Å; I105-A108 PolarHBondContact O-N 3.01Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-I134 HydrophobicContact CG2-CD1 3.81Å; I105-I136 HydrophobicContact CD1-CD1 3.78Å; I105-I136 HydrophobicContact CG1-CD1 4.3Å; I105-V270 HydrophobicContact CD1-CG2 3.97Å; I105-I277 HydrophobicContact CG2-CD1 3.59Å; I105-I281 HydrophobicContact CG2-CD1 3.74Å; I105-I281 HydrophobicContact CG2-CG1 4.38Å
106	S	90.3	Very high	89.9	Confident	1 Å²	1	17.5 Å²	17.5	1%	0.007	8%	0.084	C	C	.	.	H	α-helix	trans	-64.2	-41.9	173.8	-58.4	0	0	0	0	112	R102 E103 L104 A108 S109 D110	R102-S106 VanDerWaalsContact O-CB 3.29Å; R102-S106 WeakPolarHBondContact O-CB 3.46Å; R102-S106 PolarHBondContact O-N 3.01Å; R102-S106 PolarHBondContact O-OG 3.24Å; E103-S106 PolarHBondContact O-N 3.22Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.01Å; S106-A108 VanDerWaalsContact C-N 3.34Å; S106-S109 PolarHBondContact O-N 3Å; S106-D110 PolarHBondContact O-N 3.24Å
107	N	91.5	Very high	89.8	Confident	45 Å²	45	14.8 Å²	14.8	24%	0.241	7%	0.069	C	C	.	.	H	α-helix	trans	-65.3	-37	175.3	-65	-30.9	0	0	0	111.9	E103 L104 D110 A111	E103-N107 PolarHBondContact O-N 2.6Å; E103-N107 PolarHBondContact O-ND2 3.5Å; E103-N107 VanDerWaalsContact O-ND2 3.14Å; L104-N107 PolarHBondContact O-N 3.11Å; N107-D110 WeakPolarHBondContact O-CB 3.27Å; N107-D110 PolarHBondContact O-N 3.18Å; N107-A111 PolarHBondContact O-N 2.95Å
108	A	92	Very high	89.6	Confident	2 Å²	2	13.5 Å²	13.5	2%	0.017	7%	0.067	C	C	.	.	H	α-helix	trans	-65.8	-41.2	173.3	0	0	0	0	0	112.1	L104 I105 S106 A111 L112 I134 D149	L104-A108 PolarHBondContact O-N 2.94Å; I105-A108 PolarHBondContact O-N 3.01Å; S106-A108 VanDerWaalsContact C-N 3.34Å; A108-A111 PolarHBondContact O-N 3.46Å; A108-A111 VanDerWaalsContact O-N 3.17Å; A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 3Å; A108-I134 HydrophobicContact CB-CD1 3.71Å; A108-I134 HydrophobicContact CB-CG1 4.03Å; A108-I134 HydrophobicContact CB-CG2 4.36Å; A108-D149 HydrophobicContact CB-CB 3.68Å
109	S	90.8	Very high	89.4	Confident	4 Å²	4	13 Å²	13	3%	0.028	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-47.3	172	-164.9	0	0	0	0	111.3	I105 S106 A111 L112 D113	I105-S109 PolarHBondContact O-N 2.89Å; S106-S109 PolarHBondContact O-N 3Å; S109-A111 PolarHBondContact O-N 2.88Å; S109-L112 PolarHBondContact O-N 3.28Å; S109-L112 VanDerWaalsContact O-N 3.15Å; S109-D113 WeakPolarHBondContact O-CB 3.47Å; S109-D113 PolarHBondContact O-N 2.98Å
110	D	89.9	Confident	89.2	Confident	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-55.6	-34.4	173.9	-90	8.7	0	0	0	112.6	S106 N107 K114 T171 L191 I192 G193	S106-D110 PolarHBondContact O-N 3.24Å; N107-D110 WeakPolarHBondContact O-CB 3.27Å; N107-D110 PolarHBondContact O-N 3.18Å; D110-K114 VanDerWaalsContact O-CD 3.25Å; D110-K114 WeakPolarHBondContact O-CD 3.29Å; D110-K114 WeakPolarHBondContact O-CE 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.42Å; D110-K114 PolarHBondContact O-N 3.38Å; D110-T171 WeakPolarHBondContact OD2-CB 3.49Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.38Å; D110-T171 PolarHBondContact OD2-OG1 3.08Å; D110-L191 HydrophobicContact CB-CD2 4.46Å; D110-I192 PolarHBondContact OD1-N 3.27Å; D110-G193 PolarHBondContact OD1-N 3.05Å; D110-G193 WeakPolarHBondContact OD2-CA 3.3Å; D110-G193 PolarHBondContact OD2-N 2.57Å
111	A	90.9	Very high	88.7	Confident	11 Å²	11	23.7 Å²	23.7	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-76.7	-37	178.7	0	0	0	0	0	112.7	N107 A108 S109 I115 G151 I152	N107-A111 PolarHBondContact O-N 2.95Å; A108-A111 PolarHBondContact O-N 3.46Å; A108-A111 VanDerWaalsContact O-N 3.17Å; S109-A111 PolarHBondContact O-N 2.88Å; A111-I115 PolarHBondContact O-N 2.82Å; A111-G151 WeakPolarHBondContact O-CA 3.43Å; A111-I152 HydrophobicContact CB-CG2 4.38Å; A111-I152 PolarHBondContact O-N 2.93Å
112	L	91	Very high	88.2	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.9	-38.4	173.4	-70.2	166.3	0	0	0	111.7	A108 S109 I115 R116 L132 I134 F279	A108-L112 WeakPolarHBondContact O-CG 3.47Å; A108-L112 PolarHBondContact O-N 3Å; S109-L112 PolarHBondContact O-N 3.28Å; S109-L112 VanDerWaalsContact O-N 3.15Å; L112-I115 VanDerWaalsContact O-CG2 3.25Å; L112-I115 WeakPolarHBondContact O-CG2 3.39Å; L112-I115 PolarHBondContact O-N 3.02Å; L112-R116 VanDerWaalsContact O-CB 3.32Å; L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 PolarHBondContact O-N 3.37Å; L112-L132 HydrophobicContact CD2-CB 3.96Å; L112-L132 HydrophobicContact CD2-CD2 3.84Å; L112-I134 HydrophobicContact CD1-CD1 4Å; L112-I134 HydrophobicContact CD1-CG1 3.49Å; L112-I134 VanDerWaalsContact CD1-CG1 3.49Å; L112-F279 HydrophobicContact CB-CD1 4.03Å; L112-F279 HydrophobicContact CB-CD2 3.73Å; L112-F279 HydrophobicContact CB-CE1 3.91Å; L112-F279 HydrophobicContact CB-CE2 3.6Å; L112-F279 HydrophobicContact CB-CG 3.95Å; L112-F279 HydrophobicContact CB-CZ 3.69Å; L112-F279 HydrophobicContact CD1-CB 3.77Å; L112-F279 HydrophobicContact CD1-CD1 4.25Å; L112-F279 HydrophobicContact CD1-CD2 3.95Å; L112-F279 HydrophobicContact CD1-CG 3.72Å; L112-F279 HydrophobicContact CG-CG 4.42Å
113	D	88.3	Confident	87.5	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.011	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-42.9	174.5	-83.1	-49	0	0	0	112.2	S109 I115 R116 L117 L191 F279	S109-D113 WeakPolarHBondContact O-CB 3.47Å; S109-D113 PolarHBondContact O-N 2.98Å; D113-I115 PolarHBondContact O-N 3.48Å; D113-R116 PolarHBondContact O-N 3.07Å; D113-R116 IonicContact OD1-CZ 2.69Å; D113-R116 IonicContact OD1-NE 2.72Å; D113-R116 PolarHBondContact OD1-NE 2.69Å; D113-R116 IonicContact OD1-NH1 2.78Å; D113-R116 IonicContact OD1-NH2 3.21Å; D113-R116 PolarHBondContact OD1-NH2 3.13Å; D113-L117 VanDerWaalsContact O-CB 3.29Å; D113-L117 WeakPolarHBondContact O-CB 3.12Å; D113-L117 WeakPolarHBondContact O-CD1 3.44Å; D113-L117 WeakPolarHBondContact O-CG 3.48Å; D113-L117 PolarHBondContact O-N 3.46Å; D113-L191 HydrophobicContact CB-CD2 3.74Å; D113-F279 HydrophobicContact CB-CE2 4.49Å; D113-F279 WeakPolarHBondContact OD1-CE2 3.4Å; D113-F279 WeakPolarHBondContact OD1-CZ 3.27Å
114	K	87.4	Confident	87.1	Confident	28 Å²	28	39.5 Å²	39.5	12%	0.122	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-46.6	175.5	-74.4	161	-164.4	157.6	0	112.5	D110 L117 L118 I152 T171 F174	D110-K114 VanDerWaalsContact O-CD 3.25Å; D110-K114 WeakPolarHBondContact O-CD 3.29Å; D110-K114 WeakPolarHBondContact O-CE 3.31Å; D110-K114 WeakPolarHBondContact O-CG 3.42Å; D110-K114 PolarHBondContact O-N 3.38Å; K114-L117 PolarHBondContact O-N 2.8Å; K114-L118 WeakPolarHBondContact O-CB 3.39Å; K114-L118 VanDerWaalsContact O-CG 3.32Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.77Å; K114-I152 HydrophobicContact CB-CB 4.27Å; K114-I152 HydrophobicContact CB-CD1 4.28Å; K114-I152 HydrophobicContact CB-CG2 3.94Å; K114-I152 HydrophobicContact CD-CG2 4.12Å; K114-T171 WeakPolarHBondContact CE-OG1 3.43Å; K114-T171 PolarHBondContact NZ-OG1 2.72Å; K114-F174 HydrophobicContact CB-CE2 4.43Å; K114-F174 HydrophobicContact CB-CZ 4.37Å; K114-F174 HydrophobicContact CG-CD1 4Å; K114-F174 HydrophobicContact CG-CD2 4.16Å; K114-F174 HydrophobicContact CG-CE1 4.05Å; K114-F174 HydrophobicContact CG-CE2 4.2Å; K114-F174 HydrophobicContact CG-CG 4.06Å; K114-F174 HydrophobicContact CG-CZ 4.15Å
115	I	88.5	Confident	86.4	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.015	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-37.8	179.7	-168.6	66.8	0	0	0	111.8	A111 L112 D113 L117 L118 S119 A125 L126 L132 I152	A111-I115 PolarHBondContact O-N 2.82Å; L112-I115 VanDerWaalsContact O-CG2 3.25Å; L112-I115 WeakPolarHBondContact O-CG2 3.39Å; L112-I115 PolarHBondContact O-N 3.02Å; D113-I115 PolarHBondContact O-N 3.48Å; I115-L117 PolarHBondContact O-N 2.95Å; I115-L118 PolarHBondContact O-N 3.41Å; I115-S119 WeakPolarHBondContact O-CB 3.36Å; I115-S119 PolarHBondContact O-N 3.06Å; I115-S119 PolarHBondContact O-OG 3.12Å; I115-A125 HydrophobicContact CD1-CB 3.92Å; I115-L126 HydrophobicContact CG1-CD2 4.17Å; I115-L132 HydrophobicContact CG2-CD2 3.62Å; I115-I152 HydrophobicContact CB-CB 4.12Å
116	R	86.6	Confident	85.9	Confident	63 Å²	63	41.9 Å²	41.9	24%	0.238	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-46.2	172.5	-176.4	-171.7	62.5	151.9	1.9	111.4	L112 D113 S119 L120 L132 E190	L112-R116 VanDerWaalsContact O-CB 3.32Å; L112-R116 WeakPolarHBondContact O-CB 3.33Å; L112-R116 PolarHBondContact O-N 3.37Å; D113-R116 PolarHBondContact O-N 3.07Å; D113-R116 IonicContact OD1-CZ 2.69Å; D113-R116 IonicContact OD1-NE 2.72Å; D113-R116 PolarHBondContact OD1-NE 2.69Å; D113-R116 IonicContact OD1-NH1 2.78Å; D113-R116 IonicContact OD1-NH2 3.21Å; D113-R116 PolarHBondContact OD1-NH2 3.13Å; R116-S119 PolarHBondContact O-N 3.37Å; R116-S119 PolarHBondContact O-OG 3.32Å; R116-L120 PolarHBondContact O-N 3.46Å; R116-L132 HydrophobicContact CB-CD1 4.1Å; R116-L132 HydrophobicContact CG-CD1 4.44Å; R116-E190 IonicContact CZ-OE2 2.77Å; R116-E190 IonicContact NH1-OE2 3.22Å; R116-E190 PolarHBondContact NH1-OE2 3.1Å; R116-E190 IonicContact NH2-OE2 2.78Å; R116-E190 PolarHBondContact NH2-OE2 3.13Å
117	L	83.8	Confident	85.2	Confident	17 Å²	17	45.8 Å²	45.8	9%	0.089	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-38	178.7	-71.8	168.1	0	0	0	112	D113 K114 I115 L120 F174 M178	D113-L117 VanDerWaalsContact O-CB 3.29Å; D113-L117 WeakPolarHBondContact O-CB 3.12Å; D113-L117 WeakPolarHBondContact O-CD1 3.44Å; D113-L117 WeakPolarHBondContact O-CG 3.48Å; D113-L117 PolarHBondContact O-N 3.46Å; K114-L117 PolarHBondContact O-N 2.8Å; I115-L117 PolarHBondContact O-N 2.95Å; L117-L120 HydrophobicContact CD2-CD1 4.44Å; L117-L120 PolarHBondContact O-N 3.07Å; L117-F174 HydrophobicContact CB-CZ 4.41Å; L117-F174 HydrophobicContact CD1-CE1 4.11Å; L117-M178 HydrophobicContact CB-CE 3.89Å; L117-M178 HydrophobicContact CB-SD 4.37Å; L117-M178 HydrophobicContact CD1-SD 4.01Å; L117-M178 HydrophobicContact CD2-CE 4.1Å; L117-M178 HydrophobicContact CD2-SD 4.41Å; L117-M178 HydrophobicContact CG-CE 4.38Å; L117-M178 HydrophobicContact CG-SD 4.5Å
118	L	84.1	Confident	84.4	Confident	58 Å²	58	46.3 Å²	46.3	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-66.5	-37.2	172.1	-73.1	170.6	0	0	0	112.5	K114 I115 L120 T121 D122 I152 F174	K114-L118 WeakPolarHBondContact O-CB 3.39Å; K114-L118 VanDerWaalsContact O-CG 3.32Å; K114-L118 WeakPolarHBondContact O-CG 3.44Å; K114-L118 PolarHBondContact O-N 2.77Å; I115-L118 PolarHBondContact O-N 3.41Å; L118-L120 PolarHBondContact O-N 3.44Å; L118-T121 CarbonylContact O-C 3.56Å; L118-T121 WeakPolarHBondContact O-CA 3.39Å; L118-T121 PolarHBondContact O-N 3.03Å; L118-T121 PolarHBondContact O-OG1 2.88Å; L118-D122 PolarHBondContact O-N 3.49Å; L118-I152 HydrophobicContact CD1-CD1 3.45Å; L118-I152 VanDerWaalsContact CD1-CD1 3.45Å; L118-I152 HydrophobicContact CD1-CG1 4.26Å; L118-F174 HydrophobicContact CD2-CE2 4.49Å; L118-F174 HydrophobicContact CG-CE2 4.41Å
119	S	85.1	Confident	83.8	Confident	28 Å²	28	48.3 Å²	48.3	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-16.2	177.8	69	0	0	0	0	114.6	I115 R116 T121 D122	I115-S119 WeakPolarHBondContact O-CB 3.36Å; I115-S119 PolarHBondContact O-N 3.06Å; I115-S119 PolarHBondContact O-OG 3.12Å; R116-S119 PolarHBondContact O-N 3.37Å; R116-S119 PolarHBondContact O-OG 3.32Å; S119-T121 PolarHBondContact O-N 3.18Å; S119-D122 WeakPolarHBondContact CA-O 3.36Å
120	L	83.1	Confident	83.4	Confident	117 Å²	117	56.1 Å²	56.1	61%	0.613	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.1	168.7	-61.6	174.3	0	0	0	112.9	R116 L117 L118	R116-L120 PolarHBondContact O-N 3.46Å; L117-L120 HydrophobicContact CD2-CD1 4.44Å; L117-L120 PolarHBondContact O-N 3.07Å; L118-L120 PolarHBondContact O-N 3.44Å
121	T	81.5	Confident	83.3	Confident	108 Å²	108	60.8 Å²	60.8	66%	0.663	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	-21.9	-179.9	57.5	0	0	0	0	113.9	L118 S119	L118-T121 CarbonylContact O-C 3.56Å; L118-T121 WeakPolarHBondContact O-CA 3.39Å; L118-T121 PolarHBondContact O-N 3.03Å; L118-T121 PolarHBondContact O-OG1 2.88Å; S119-T121 PolarHBondContact O-N 3.18Å
122	D	80.4	Confident	83.3	Confident	78 Å²	78	62 Å²	62	42%	0.417	34%	0.342	S	S	.	.			trans	-144.1	105.5	179.6	178.3	2.2	0	0	0	110.1	L118 S119 S124 A125	L118-D122 PolarHBondContact O-N 3.49Å; S119-D122 WeakPolarHBondContact CA-O 3.36Å; D122-S124 VanDerWaalsContact CG-OG 3.28Å; D122-S124 PolarHBondContact O-N 2.7Å; D122-S124 VanDerWaalsContact OD1-CB 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.32Å; D122-S124 PolarHBondContact OD1-N 2.8Å; D122-S124 PolarHBondContact OD1-OG 2.88Å; D122-S124 PolarHBondContact OD2-OG 3.33Å; D122-A125 WeakPolarHBondContact O-CB 3.1Å; D122-A125 PolarHBondContact O-N 3.13Å
123	E	76.7	Confident	83.4	Confident	187 Å²	187	62.5 Å²	62.5	87%	0.874	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-60.8	-24.2	179.2	-62.3	-178.3	155.8	0	0	112.7	A125	E123-A125 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 2.74Å
124	S	81.3	Confident	83.7	Confident	76 Å²	76	62.4 Å²	62.4	53%	0.531	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-75.8	-16.7	-179.4	77.6	0	0	0	0	113.6	D122 L126 A127	D122-S124 VanDerWaalsContact CG-OG 3.28Å; D122-S124 PolarHBondContact O-N 2.7Å; D122-S124 VanDerWaalsContact OD1-CB 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.32Å; D122-S124 PolarHBondContact OD1-N 2.8Å; D122-S124 PolarHBondContact OD1-OG 2.88Å; D122-S124 PolarHBondContact OD2-OG 3.33Å; S124-L126 PolarHBondContact O-N 3.4Å; S124-A127 VanDerWaalsContact O-CB 3.3Å; S124-A127 WeakPolarHBondContact O-CB 3.45Å; S124-A127 PolarHBondContact O-N 2.83Å; S124-A127 VanDerWaalsContact O-N 3.08Å
125	A	78.5	Confident	84.1	Confident	7 Å²	7	63.2 Å²	63.2	6%	0.058	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.2	-30.8	-175.6	0	0	0	0	0	113.6	I115 D122 E123 N216 R243	I115-A125 HydrophobicContact CD1-CB 3.92Å; D122-A125 WeakPolarHBondContact O-CB 3.1Å; D122-A125 PolarHBondContact O-N 3.13Å; E123-A125 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 2.74Å; A125-N216 PolarHBondContact O-ND2 2.83Å; A125-R243 PolarHBondContact O-NH1 2.62Å
126	L	82.3	Confident	84.3	Confident	43 Å²	43	63.1 Å²	63.1	23%	0.225	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-85.8	-13.6	179.3	-71	173.3	0	0	0	114.2	I115 S124 A128 N129 L132 R243	I115-L126 HydrophobicContact CG1-CD2 4.17Å; S124-L126 PolarHBondContact O-N 3.4Å; L126-A128 PolarHBondContact O-N 3.35Å; L126-N129 CarbonylContact O-C 3.54Å; L126-N129 PolarHBondContact O-N 3.13Å; L126-L132 HydrophobicContact CD2-CD2 4.12Å; L126-R243 PolarHBondContact O-NH1 3.07Å
127	A	75.5	Confident	84.6	Confident	84 Å²	84	64.1 Å²	64.1	69%	0.694	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.2	-166.7	0	0	0	0	0	115.8	S124	S124-A127 VanDerWaalsContact O-CB 3.3Å; S124-A127 WeakPolarHBondContact O-CB 3.45Å; S124-A127 PolarHBondContact O-N 2.83Å; S124-A127 VanDerWaalsContact O-N 3.08Å
128	A	74.4	Confident	84.9	Confident	55 Å²	55	64 Å²	64	46%	0.455	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-28.3	173.9	0	0	0	0	0	113.7	L126 R243	L126-A128 PolarHBondContact O-N 3.35Å; A128-R243 HydrophobicContact CB-CB 4.18Å
129	N	78.9	Confident	85.1	Confident	45 Å²	45	62.7 Å²	62.7	24%	0.241	35%	0.347	C	S	.	.			trans	-167.8	118.4	177	-172.1	-7.9	0	0	0	110.3	L126 E131 T150 R243	L126-N129 CarbonylContact O-C 3.54Å; L126-N129 PolarHBondContact O-N 3.13Å; N129-E131 WeakPolarHBondContact OD1-CB 3.44Å; N129-E131 PolarHBondContact OD1-N 3.41Å; N129-T150 WeakPolarHBondContact ND2-CG2 3.39Å; N129-R243 VanDerWaalsContact O-CZ 3.25Å; N129-R243 PolarHBondContact O-NH1 3.12Å; N129-R243 PolarHBondContact O-NH2 3.21Å
130	E	83.3	Confident	85	Confident	168 Å²	168	66.1 Å²	66.1	79%	0.785	36%	0.359	S	S	*	.			trans	-79.6	-19.3	178.8	-64.2	-179	-176.1	0	0	113.3	L132	E130-L132 PolarHBondContact O-N 3.04Å
131	E	87.4	Confident	85.1	Confident	99 Å²	99	68.7 Å²	68.7	46%	0.463	37%	0.368	S	S	.	.			trans	-70.8	130.9	177.5	-67.6	-170.2	-179.6	0	0	111.5	N129 T133 K135 T150	N129-E131 WeakPolarHBondContact OD1-CB 3.44Å; N129-E131 PolarHBondContact OD1-N 3.41Å; E131-T133 HydrophobicContact CB-CG2 4.24Å; E131-K135 IonicContact OE2-NZ 2.63Å; E131-K135 PolarHBondContact OE2-NZ 3.38Å; E131-T150 VanDerWaalsContact O-CB 3.27Å; E131-T150 WeakPolarHBondContact O-CB 3.18Å; E131-T150 PolarHBondContact O-OG1 3.35Å
132	L	91.2	Very high	85.3	Confident	36 Å²	36	68.1 Å²	68.1	19%	0.188	36%	0.356	C	S	.	.			trans	-112	89.4	170.2	-64.4	-177.3	0	0	0	109.4	L112 I115 R116 L126 E130 T150 F279	L112-L132 HydrophobicContact CD2-CB 3.96Å; L112-L132 HydrophobicContact CD2-CD2 3.84Å; I115-L132 HydrophobicContact CG2-CD2 3.62Å; R116-L132 HydrophobicContact CB-CD1 4.1Å; R116-L132 HydrophobicContact CG-CD1 4.44Å; L126-L132 HydrophobicContact CD2-CD2 4.12Å; E130-L132 PolarHBondContact O-N 3.04Å; L132-T150 WeakPolarHBondContact CA-OG1 3.11Å; L132-F279 HydrophobicContact CB-CD1 3.92Å; L132-F279 HydrophobicContact CB-CE1 4.13Å; L132-F279 HydrophobicContact CD1-CE1 4.1Å
133	T	93.3	Very high	85.6	Confident	10 Å²	10	67.5 Å²	67.5	6%	0.061	35%	0.353	C	S	.	.			trans	-140.9	158.9	-169.7	64.7	0	0	0	0	112.8	E131 K135 T150 P280 Y282	E131-T133 HydrophobicContact CB-CG2 4.24Å; T133-K135 VanDerWaalsContact OG1-CE 3.29Å; T133-K135 WeakPolarHBondContact OG1-CE 3.35Å; T133-T150 PolarHBondContact N-OG1 2.91Å; T133-T150 PolarHBondContact O-N 3.02Å; T133-T150 PolarHBondContact O-OG1 3.3Å; T133-P280 HydrophobicContact CG2-CB 4.37Å; T133-Y282 HydrophobicContact CG2-CE2 3.82Å
134	I	94.7	Very high	86.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.7	171.3	-53.6	177.2	0	0	0	107.5	I105 A108 L112 I136 I147 T148 P280 I281 Y282	I105-I134 HydrophobicContact CG2-CD1 3.81Å; A108-I134 HydrophobicContact CB-CD1 3.71Å; A108-I134 HydrophobicContact CB-CG1 4.03Å; A108-I134 HydrophobicContact CB-CG2 4.36Å; L112-I134 HydrophobicContact CD1-CD1 4Å; L112-I134 HydrophobicContact CD1-CG1 3.49Å; L112-I134 VanDerWaalsContact CD1-CG1 3.49Å; I134-I136 HydrophobicContact CG2-CG1 4.5Å; I134-I147 HydrophobicContact CG2-CG2 4.48Å; I134-T148 CarbonylContact C-O 3.59Å; I134-T148 WeakPolarHBondContact CA-O 3.38Å; I134-P280 PolarHBondContact N-O 3.42Å; I134-I281 HydrophobicContact CB-CG1 4.28Å; I134-I281 HydrophobicContact CD1-CG1 4.3Å; I134-I281 CarbonylContact O-C 3.59Å; I134-I281 WeakPolarHBondContact O-CA 3.43Å; I134-Y282 PolarHBondContact O-N 3.49Å
135	K	94.8	Very high	86.7	Confident	46 Å²	46	56.9 Å²	56.9	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.5	-173.2	-74.4	169.4	-179.3	167	0	109.8	E131 T133 T148 Y282 W337	E131-K135 IonicContact OE2-NZ 2.63Å; E131-K135 PolarHBondContact OE2-NZ 3.38Å; T133-K135 VanDerWaalsContact OG1-CE 3.29Å; T133-K135 WeakPolarHBondContact OG1-CE 3.35Å; K135-T148 PolarHBondContact N-O 2.89Å; K135-T148 PolarHBondContact O-N 3.48Å; K135-Y282 HydrophobicContact CG-CD2 4.11Å; K135-W337 HydrophobicContact CB-CE3 4.26Å; K135-W337 HydrophobicContact CB-CH2 3.8Å; K135-W337 HydrophobicContact CB-CZ2 4.41Å; K135-W337 HydrophobicContact CB-CZ3 3.71Å; K135-W337 HydrophobicContact CG-CE3 4.28Å; K135-W337 HydrophobicContact CG-CH2 4.43Å; K135-W337 HydrophobicContact CG-CZ3 4.23Å
136	I	94.1	Very high	87.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.6	-173.5	-55.4	169.2	0	0	0	109.9	L101 I105 I134 L145 H146 I147 I266 V270 I281 Y282 V283 W284 W337	L101-I136 HydrophobicContact CD1-CD1 4.39Å; I105-I136 HydrophobicContact CD1-CD1 3.78Å; I105-I136 HydrophobicContact CG1-CD1 4.3Å; I134-I136 HydrophobicContact CG2-CG1 4.5Å; I136-L145 HydrophobicContact CG2-CD1 3.91Å; I136-H146 CarbonylContact C-O 3.53Å; I136-H146 WeakPolarHBondContact CA-O 3.27Å; I136-I147 HydrophobicContact CG1-CG1 4.46Å; I136-I147 HydrophobicContact CG2-CG1 4.37Å; I136-I266 HydrophobicContact CG2-CG2 3.97Å; I136-V270 HydrophobicContact CD1-CG2 3.84Å; I136-I281 HydrophobicContact CD1-CG2 3.78Å; I136-Y282 PolarHBondContact N-O 3.2Å; I136-V283 HydrophobicContact CB-CG2 4.22Å; I136-V283 HydrophobicContact CD1-CG2 4.39Å; I136-V283 WeakPolarHBondContact O-CA 3.44Å; I136-W284 PolarHBondContact O-N 2.93Å; I136-W337 WeakPolarHBondContact O-CZ3 3.46Å
137	K	93	Very high	87.9	Confident	84 Å²	84	56.4 Å²	56.4	37%	0.365	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.2	-178.8	178.7	171.2	179.1	174.3	0	111.9	H146 W284 W337	K137-H146 HydrophobicContact CB-CB 4.48Å; K137-H146 PolarHBondContact N-O 3.46Å; K137-H146 PolarHBondContact O-N 2.78Å; K137-W284 HydrophobicContact CB-CB 3.99Å; K137-W284 HydrophobicContact CD-CB 4.43Å; K137-W284 HydrophobicContact CD-CG 4.15Å; K137-W284 HydrophobicContact CG-CB 3.96Å; K137-W284 HydrophobicContact CG-CG 4.07Å; K137-W337 HydrophobicContact CB-CH2 4.22Å
138	S	89.8	Confident	88.8	Confident	16 Å²	16	54.4 Å²	54.4	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.9	168.9	-175.7	0	0	0	0	110.5	L261	S138-L261 WeakPolarHBondContact OG-CA 3.4Å; S138-L261 PolarHBondContact OG-O 2.96Å
139	D	87.8	Confident	89.8	Confident	29 Å²	29	52.2 Å²	52.2	16%	0.155	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	89.8	169.8	-172	-39.6	0	0	0	108.2	E141 K142 N143 M144	D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 PolarHBondContact O-N 2.89Å; D139-E141 PolarHBondContact OD1-N 2.93Å; D139-K142 PolarHBondContact O-N 3.33Å; D139-K142 WeakPolarHBondContact OD1-CB 3.4Å; D139-K142 WeakPolarHBondContact OD1-CG 3.27Å; D139-K142 PolarHBondContact OD1-N 2.84Å; D139-K142 VanDerWaalsContact OD1-N 3.07Å; D139-K142 IonicContact OD1-NZ 2.85Å; D139-K142 PolarHBondContact OD1-NZ 3.36Å; D139-K142 WeakPolarHBondContact OD2-CD 3.28Å; D139-K142 WeakPolarHBondContact OD2-CE 3.43Å; D139-K142 IonicContact OD2-NZ 3Å; D139-K142 PolarHBondContact OD2-NZ 2.66Å; D139-N143 PolarHBondContact O-N 3.25Å; D139-M144 HydrophobicContact CB-CB 4.42Å; D139-M144 PolarHBondContact N-O 3.48Å; D139-M144 PolarHBondContact O-N 3.16Å
140	K	83.9	Confident	90.5	Very high	101 Å²	101	50.6 Å²	50.6	44%	0.439	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-63.1	-35.3	-179.2	-65.1	-168.6	-178.3	-171.7	0	112.7	K142 N143 L261 E262	K140-K142 PolarHBondContact O-N 3.12Å; K140-N143 PolarHBondContact O-N 2.64Å; K140-N143 PolarHBondContact O-OD1 3.19Å; K140-L261 WeakPolarHBondContact CE-O 3.26Å; K140-L261 HydrophobicContact CG-CB 4.27Å; K140-E262 WeakPolarHBondContact CE-OE1 3.28Å; K140-E262 IonicContact NZ-OE1 2.65Å; K140-E262 PolarHBondContact NZ-OE1 2.89Å; K140-E262 IonicContact NZ-OE2 3.6Å; K140-E262 PolarHBondContact NZ-OE2 3.46Å
141	E	84.5	Confident	90.9	Very high	171 Å²	171	42.6 Å²	42.6	80%	0.799	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-62.1	-31.5	-179	-58	177.5	158.4	0	0	112.3	D139	D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 PolarHBondContact O-N 2.89Å; D139-E141 PolarHBondContact OD1-N 2.93Å
142	K	85	Confident	91.1	Very high	96 Å²	96	39.1 Å²	39.1	42%	0.417	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-109.3	0.6	-175.7	-61.3	166.7	-149.4	70.1	0	112.7	D139 K140 M144	D139-K142 PolarHBondContact O-N 3.33Å; D139-K142 WeakPolarHBondContact OD1-CB 3.4Å; D139-K142 WeakPolarHBondContact OD1-CG 3.27Å; D139-K142 PolarHBondContact OD1-N 2.84Å; D139-K142 VanDerWaalsContact OD1-N 3.07Å; D139-K142 IonicContact OD1-NZ 2.85Å; D139-K142 PolarHBondContact OD1-NZ 3.36Å; D139-K142 WeakPolarHBondContact OD2-CD 3.28Å; D139-K142 WeakPolarHBondContact OD2-CE 3.43Å; D139-K142 IonicContact OD2-NZ 3Å; D139-K142 PolarHBondContact OD2-NZ 2.66Å; K140-K142 PolarHBondContact O-N 3.12Å; K142-M144 VanDerWaalsContact C-N 3.32Å; K142-M144 HydrophobicContact CB-CE 3.79Å; K142-M144 HydrophobicContact CB-CG 4.19Å; K142-M144 HydrophobicContact CD-CE 3.94Å; K142-M144 HydrophobicContact CG-CE 4.46Å; K142-M144 PolarHBondContact O-N 3.31Å
143	N	87	Confident	91.1	Very high	64 Å²	64	37.7 Å²	37.7	34%	0.342	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	51.7	-171.8	-65.6	-47.3	0	0	0	112.2	D139 K140 L251 V252 L261	D139-N143 PolarHBondContact O-N 3.25Å; K140-N143 PolarHBondContact O-N 2.64Å; K140-N143 PolarHBondContact O-OD1 3.19Å; N143-L251 PolarHBondContact O-N 3.11Å; N143-V252 HydrophobicContact CB-CG2 3.8Å; N143-L261 HydrophobicContact CB-CD1 4.14Å; N143-L261 VanDerWaalsContact OD1-CD1 3.28Å; N143-L261 WeakPolarHBondContact OD1-CD1 2.94Å
144	M	89	Confident	91	Very high	40 Å²	40	38.9 Å²	38.9	20%	0.197	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.1	178.2	-63.6	-166.2	-61.9	0	0	112.1	D139 K142 T248 L249 L261	D139-M144 HydrophobicContact CB-CB 4.42Å; D139-M144 PolarHBondContact N-O 3.48Å; D139-M144 PolarHBondContact O-N 3.16Å; K142-M144 VanDerWaalsContact C-N 3.32Å; K142-M144 HydrophobicContact CB-CE 3.79Å; K142-M144 HydrophobicContact CB-CG 4.19Å; K142-M144 HydrophobicContact CD-CE 3.94Å; K142-M144 HydrophobicContact CG-CE 4.46Å; K142-M144 PolarHBondContact O-N 3.31Å; M144-T248 HydrophobicContact CB-CG2 4.26Å; M144-T248 HydrophobicContact CG-CG2 4.3Å; M144-T248 HydrophobicContact SD-CG2 3.68Å; M144-L249 VanDerWaalsContact CA-O 3.25Å; M144-L249 WeakPolarHBondContact CA-O 3.35Å; M144-L261 WeakPolarHBondContact O-CD2 3.4Å
145	L	91.3	Very high	90.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.2	168.9	177.8	59.3	0	0	0	108.7	F100 I136 L249 L251 L261 I266	F100-L145 HydrophobicContact CE2-CD2 3.85Å; F100-L145 HydrophobicContact CZ-CD2 3.89Å; I136-L145 HydrophobicContact CG2-CD1 3.91Å; L145-L249 HydrophobicContact CB-CB 4.35Å; L145-L249 HydrophobicContact CD2-CD1 4.44Å; L145-L249 PolarHBondContact N-O 3.28Å; L145-L249 PolarHBondContact O-N 3.24Å; L145-L251 HydrophobicContact CB-CD1 4.19Å; L145-L261 HydrophobicContact CB-CD2 4.45Å; L145-I266 HydrophobicContact CD1-CD1 3.82Å
146	H	93.1	Very high	90.7	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.167	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.2	-179.7	-54	-81.1	0	0	0	110.2	I136 K137 T248	I136-H146 CarbonylContact C-O 3.53Å; I136-H146 WeakPolarHBondContact CA-O 3.27Å; K137-H146 HydrophobicContact CB-CB 4.48Å; K137-H146 PolarHBondContact N-O 3.46Å; K137-H146 PolarHBondContact O-N 2.78Å; H146-T248 VanDerWaalsContact CE1-CG2 3.45Å; H146-T248 WeakPolarHBondContact CE1-CG2 2.94Å; H146-T248 WeakPolarHBondContact ND1-CG2 3.11Å; H146-T248 PolarHBondContact ND1-OG1 2.94Å
147	I	94.6	Very high	90.5	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.3	174.3	-61.9	155	0	0	0	106.3	L101 L104 I134 I136 I247 L249	L101-I147 HydrophobicContact CD1-CD1 3.69Å; L101-I147 HydrophobicContact CD1-CG1 4.19Å; L104-I147 HydrophobicContact CB-CD1 4.05Å; L104-I147 HydrophobicContact CD1-CD1 3.57Å; L104-I147 HydrophobicContact CG-CD1 4.47Å; I134-I147 HydrophobicContact CG2-CG2 4.48Å; I136-I147 HydrophobicContact CG1-CG1 4.46Å; I136-I147 HydrophobicContact CG2-CG1 4.37Å; I147-I247 PolarHBondContact N-O 3.3Å; I147-I247 PolarHBondContact O-N 3.47Å; I147-L249 HydrophobicContact CD1-CD1 4.35Å
148	T	94.7	Very high	90.4	Very high	42 Å²	42	46.9 Å²	46.9	26%	0.258	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.6	-176.6	-58.8	0	0	0	0	110.1	I134 K135 T245 T246	I134-T148 CarbonylContact C-O 3.59Å; I134-T148 WeakPolarHBondContact CA-O 3.38Å; K135-T148 PolarHBondContact N-O 2.89Å; K135-T148 PolarHBondContact O-N 3.48Å; T148-T245 CarbonylContact C-O 3.57Å; T148-T245 WeakPolarHBondContact CA-O 3.43Å; T148-T246 WeakPolarHBondContact CG2-OG1 3.26Å; T148-T246 PolarHBondContact OG1-OG1 3.4Å; T148-T246 VanDerWaalsContact OG1-OG1 3.13Å
149	D	95.3	Very high	90.3	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.9	170	75.8	75.3	0	0	0	111	A108 G151 G244 T245	A108-D149 HydrophobicContact CB-CB 3.68Å; D149-G151 VanDerWaalsContact C-N 3.32Å; D149-G151 WeakPolarHBondContact OD1-CA 3.48Å; D149-G151 PolarHBondContact OD1-N 2.98Å; D149-G244 WeakPolarHBondContact O-CA 3.43Å; D149-T245 PolarHBondContact N-O 2.86Å; D149-T245 PolarHBondContact O-N 3.15Å; D149-T245 PolarHBondContact OD1-N 2.87Å; D149-T245 WeakPolarHBondContact OD2-CB 3.38Å
150	T	93.4	Very high	90.4	Very high	12 Å²	12	47.9 Å²	47.9	7%	0.074	24%	0.239	C	C	.	.			trans	-98.6	29.4	172.9	59.9	0	0	0	0	112.1	N129 E131 L132 T133 R243	N129-T150 WeakPolarHBondContact ND2-CG2 3.39Å; E131-T150 VanDerWaalsContact O-CB 3.27Å; E131-T150 WeakPolarHBondContact O-CB 3.18Å; E131-T150 PolarHBondContact O-OG1 3.35Å; L132-T150 WeakPolarHBondContact CA-OG1 3.11Å; T133-T150 PolarHBondContact N-OG1 2.91Å; T133-T150 PolarHBondContact O-N 3.02Å; T133-T150 PolarHBondContact O-OG1 3.3Å; T150-R243 PolarHBondContact O-NE 3.09Å; T150-R243 PolarHBondContact O-NH2 2.84Å
151	G	91.3	Very high	90.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-71.7	-157.9	-177	0	0	0	0	0	113.9	A111 D149 G153 R243	A111-G151 WeakPolarHBondContact O-CA 3.43Å; D149-G151 VanDerWaalsContact C-N 3.32Å; D149-G151 WeakPolarHBondContact OD1-CA 3.48Å; D149-G151 PolarHBondContact OD1-N 2.98Å; G151-G153 VanDerWaalsContact C-N 3.3Å; G151-G153 PolarHBondContact O-N 3.33Å; G151-R243 WeakPolarHBondContact O-CD 3.44Å; G151-R243 VanDerWaalsContact O-CG 3.3Å; G151-R243 WeakPolarHBondContact O-CG 3.48Å; G151-R243 PolarHBondContact O-NE 2.9Å
152	I	90.6	Very high	90.7	Very high	26 Å²	26	41.8 Å²	41.8	13%	0.133	21%	0.208	C	C	.	.			trans	-65.2	-28.6	179.3	-170.8	177.9	0	0	0	113.9	A111 K114 I115 L118 H215	A111-I152 HydrophobicContact CB-CG2 4.38Å; A111-I152 PolarHBondContact O-N 2.93Å; K114-I152 HydrophobicContact CB-CB 4.27Å; K114-I152 HydrophobicContact CB-CD1 4.28Å; K114-I152 HydrophobicContact CB-CG2 3.94Å; K114-I152 HydrophobicContact CD-CG2 4.12Å; I115-I152 HydrophobicContact CB-CB 4.12Å; L118-I152 HydrophobicContact CD1-CD1 3.45Å; L118-I152 VanDerWaalsContact CD1-CD1 3.45Å; L118-I152 HydrophobicContact CD1-CG1 4.26Å; I152-H215 PolarHBondContact O-CD2 2.9Å; I152-H215 VanDerWaalsContact O-CD2 3.25Å
153	G	91	Very high	90.7	Very high	6 Å²	6	38.2 Å²	38.2	6%	0.062	19%	0.193	C	C	.	.			trans	75.1	-171.5	-170.3	0	0	0	0	0	113.1	G151 S213	G151-G153 VanDerWaalsContact C-N 3.3Å; G151-G153 PolarHBondContact O-N 3.33Å; G153-S213 WeakPolarHBondContact CA-OG 3.44Å
154	M	92.2	Very high	90.4	Very high	35 Å²	35	36.4 Å²	36.4	17%	0.172	19%	0.19	C	C	.	.			trans	-137.4	139.7	178	-71.5	173.1	-76.8	0	0	110.9	E158 L159 L163 V211 S213 T245	M154-E158 HydrophobicContact CB-CB 4.12Å; M154-E158 HydrophobicContact CG-CB 4.42Å; M154-L159 HydrophobicContact CB-CD2 3.99Å; M154-L159 HydrophobicContact CB-CG 4.02Å; M154-L159 HydrophobicContact CE-CD2 3.74Å; M154-L159 HydrophobicContact SD-CD2 4.03Å; M154-L163 HydrophobicContact CE-CD1 4.18Å; M154-L163 HydrophobicContact SD-CD1 4.39Å; M154-L163 HydrophobicContact SD-CD2 4.33Å; M154-L163 HydrophobicContact SD-CG 4.24Å; M154-V211 HydrophobicContact CE-CG1 4.19Å; M154-S213 PolarHBondContact N-OG 2.74Å; M154-T245 HydrophobicContact CE-CG2 4.14Å
155	T	92.9	Very high	90	Very high	29 Å²	29	37.6 Å²	37.6	18%	0.178	20%	0.2	C	C	.	.			trans	-72.9	165.8	168.4	59.4	0	0	0	0	112.1	D157 E158 L159 H215 D218	T155-D157 VanDerWaalsContact C-N 3.29Å; T155-D157 PolarHBondContact O-N 2.9Å; T155-E158 WeakPolarHBondContact CB-OE2 3.44Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.44Å; T155-E158 PolarHBondContact N-OE2 3.34Å; T155-E158 PolarHBondContact O-N 3.05Å; T155-E158 WeakPolarHBondContact OG1-CB 3.33Å; T155-E158 VanDerWaalsContact OG1-CD 3.32Å; T155-E158 VanDerWaalsContact OG1-CG 3.24Å; T155-E158 WeakPolarHBondContact OG1-CG 3.39Å; T155-E158 PolarHBondContact OG1-N 3.49Å; T155-E158 PolarHBondContact OG1-OE2 2.96Å; T155-L159 PolarHBondContact O-N 2.89Å; T155-H215 HydrophobicContact CG2-CB 3.97Å; T155-H215 WeakPolarHBondContact CG2-ND1 3.4Å; T155-D218 WeakPolarHBondContact CA-OD2 3.12Å; T155-D218 VanDerWaalsContact CB-OD2 3.25Å; T155-D218 WeakPolarHBondContact CB-OD2 3.22Å; T155-D218 HydrophobicContact CG2-CB 3.93Å
156	K	91.1	Very high	89.6	Confident	75 Å²	75	39 Å²	39	33%	0.326	21%	0.207	S	C	.	.	H	α-helix	trans	-52.5	-45.9	175.7	-161.1	176.4	-167.5	168.9	0	112.5	L159 V160 D218 H221 V232 E234	K156-L159 PolarHBondContact O-N 2.82Å; K156-V160 WeakPolarHBondContact O-CG2 3.19Å; K156-V160 PolarHBondContact O-N 3.12Å; K156-D218 PolarHBondContact N-OD2 3.11Å; K156-H221 VanDerWaalsContact CD-CE1 3.44Å; K156-H221 WeakPolarHBondContact CD-CE1 3.39Å; K156-V232 HydrophobicContact CG-CG1 4.3Å; K156-E234 IonicContact NZ-OE1 2.61Å; K156-E234 PolarHBondContact NZ-OE1 3.45Å
157	D	90.1	Very high	88.9	Confident	128 Å²	128	40.8 Å²	40.8	68%	0.684	23%	0.228	S	C	*	.	H	α-helix	trans	-68.2	-34.5	178.1	-79.9	-8.1	0	0	0	111.8	T155 R161	T155-D157 VanDerWaalsContact C-N 3.29Å; T155-D157 PolarHBondContact O-N 2.9Å; D157-R161 WeakPolarHBondContact O-CB 3.45Å; D157-R161 PolarHBondContact O-N 3.14Å
158	E	89	Confident	88.3	Confident	65 Å²	65	43.2 Å²	43.2	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-73.1	-35.4	175.8	-73.8	170.5	126	0	0	113.2	M154 T155 V160 R161 N162	M154-E158 HydrophobicContact CB-CB 4.12Å; M154-E158 HydrophobicContact CG-CB 4.42Å; T155-E158 WeakPolarHBondContact CB-OE2 3.44Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.44Å; T155-E158 PolarHBondContact N-OE2 3.34Å; T155-E158 PolarHBondContact O-N 3.05Å; T155-E158 WeakPolarHBondContact OG1-CB 3.33Å; T155-E158 VanDerWaalsContact OG1-CD 3.32Å; T155-E158 VanDerWaalsContact OG1-CG 3.24Å; T155-E158 WeakPolarHBondContact OG1-CG 3.39Å; T155-E158 PolarHBondContact OG1-N 3.49Å; T155-E158 PolarHBondContact OG1-OE2 2.96Å; E158-V160 VanDerWaalsContact C-N 3.33Å; E158-V160 PolarHBondContact O-N 2.79Å; E158-R161 PolarHBondContact O-N 3.09Å; E158-N162 WeakPolarHBondContact O-CA 3.41Å; E158-N162 WeakPolarHBondContact O-CB 3.49Å; E158-N162 PolarHBondContact O-N 3.03Å
159	L	88.8	Confident	87.6	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-59.4	-46.3	171.6	-71.8	170	0	0	0	110.5	M154 T155 K156 L163 G164 V211 H221 W223 V232	M154-L159 HydrophobicContact CB-CD2 3.99Å; M154-L159 HydrophobicContact CB-CG 4.02Å; M154-L159 HydrophobicContact CE-CD2 3.74Å; M154-L159 HydrophobicContact SD-CD2 4.03Å; T155-L159 PolarHBondContact O-N 2.89Å; K156-L159 PolarHBondContact O-N 2.82Å; L159-L163 HydrophobicContact CD2-CD1 3.71Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 PolarHBondContact O-N 2.91Å; L159-G164 PolarHBondContact O-N 2.86Å; L159-V211 HydrophobicContact CD2-CG1 4.39Å; L159-H221 HydrophobicContact CD1-CB 3.62Å; L159-W223 HydrophobicContact CD2-CB 4.29Å; L159-V232 HydrophobicContact CD1-CG1 4.49Å
160	V	89.4	Confident	86.7	Confident	67 Å²	67	42.7 Å²	42.7	41%	0.406	24%	0.241	S	C	.	.	I	π-helix	trans	-67.8	-47.7	176.5	177.7	0	0	0	0	111.6	K156 E158 G164 F230 V232	K156-V160 WeakPolarHBondContact O-CG2 3.19Å; K156-V160 PolarHBondContact O-N 3.12Å; E158-V160 VanDerWaalsContact C-N 3.33Å; E158-V160 PolarHBondContact O-N 2.79Å; V160-G164 VanDerWaalsContact O-CA 3.25Å; V160-G164 WeakPolarHBondContact O-CA 3.19Å; V160-G164 PolarHBondContact O-N 2.9Å; V160-F230 HydrophobicContact CG1-CE2 4.48Å; V160-F230 HydrophobicContact CG1-CZ 4.42Å; V160-F230 HydrophobicContact CG2-CE2 4.41Å; V160-V232 HydrophobicContact CG2-CG2 4.02Å
161	R	88.1	Confident	86.1	Confident	119 Å²	119	42.7 Å²	42.7	45%	0.449	24%	0.241	S	C	.	.	I	π-helix	trans	-71.4	-44.6	-174.3	177.3	-176.1	168.1	117.8	-5.4	112.9	D157 E158 T165 K168 E173	D157-R161 WeakPolarHBondContact O-CB 3.45Å; D157-R161 PolarHBondContact O-N 3.14Å; E158-R161 PolarHBondContact O-N 3.09Å; R161-T165 WeakPolarHBondContact O-CB 3.31Å; R161-T165 PolarHBondContact O-OG1 2.7Å; R161-K168 HydrophobicContact CG-CD 4.25Å; R161-E173 IonicContact CZ-OE1 3.98Å; R161-E173 IonicContact CZ-OE2 3.17Å; R161-E173 IonicContact NE-OE1 3.86Å; R161-E173 IonicContact NE-OE2 2.82Å; R161-E173 IonicContact NH2-OE1 2.67Å; R161-E173 PolarHBondContact NH2-OE1 3.48Å; R161-E173 IonicContact NH2-OE2 3.83Å; R161-E173 PolarHBondContact NH2-OE2 3.29Å
162	N	87.4	Confident	85.5	Confident	25 Å²	25	44.5 Å²	44.5	13%	0.134	25%	0.253	C	S	.	.	I	π-helix	trans	-96.3	-38.5	-168.6	-57.5	-28.1	0	0	0	112.7	E158	E158-N162 WeakPolarHBondContact O-CA 3.41Å; E158-N162 WeakPolarHBondContact O-CB 3.49Å; E158-N162 PolarHBondContact O-N 3.03Å
163	L	84.9	Confident	85.1	Confident	20 Å²	20	46 Å²	46	11%	0.105	26%	0.26	C	S	.	.	I	π-helix	trans	-85.4	-28.9	174.2	-53.6	-177.8	0	0	0	112.2	M154 L159 F199 Y200 V211 W223	M154-L163 HydrophobicContact CE-CD1 4.18Å; M154-L163 HydrophobicContact SD-CD1 4.39Å; M154-L163 HydrophobicContact SD-CD2 4.33Å; M154-L163 HydrophobicContact SD-CG 4.24Å; L159-L163 HydrophobicContact CD2-CD1 3.71Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 PolarHBondContact O-N 2.91Å; L163-F199 HydrophobicContact CB-CE1 4.26Å; L163-F199 HydrophobicContact CD1-CE1 4.45Å; L163-F199 HydrophobicContact CD1-CZ 4.25Å; L163-F199 HydrophobicContact CD2-CD1 3.97Å; L163-F199 HydrophobicContact CD2-CD2 4.33Å; L163-F199 HydrophobicContact CD2-CE1 4.1Å; L163-F199 HydrophobicContact CD2-CE2 4.45Å; L163-F199 HydrophobicContact CD2-CG 4.09Å; L163-F199 HydrophobicContact CD2-CZ 4.34Å; L163-Y200 WeakPolarHBondContact O-CE1 3.44Å; L163-Y200 PolarHBondContact O-OH 3.03Å; L163-V211 HydrophobicContact CD1-CB 4.37Å; L163-V211 HydrophobicContact CD1-CG1 4.17Å; L163-V211 HydrophobicContact CD1-CG2 4.31Å; L163-W223 HydrophobicContact CB-CZ2 4.07Å; L163-W223 HydrophobicContact CD1-CD2 4.19Å; L163-W223 HydrophobicContact CD1-CG 4.34Å
164	G	80.1	Confident	84.5	Confident	27 Å²	27	47.5 Å²	47.5	28%	0.278	27%	0.265	S	S	.	.	S	Bend	trans	-79.8	-10.3	178.3	0	0	0	0	0	115.7	L159 V160	L159-G164 PolarHBondContact O-N 2.86Å; V160-G164 VanDerWaalsContact O-CA 3.25Å; V160-G164 WeakPolarHBondContact O-CA 3.19Å; V160-G164 PolarHBondContact O-N 2.9Å
165	T	81.4	Confident	83.7	Confident	64 Å²	64	48 Å²	48	39%	0.393	27%	0.268	S	S	.	.	S	Bend	trans	-115.8	110.6	-177.3	-49.3	0	0	0	0	111.8	R161 K168 Y200	R161-T165 WeakPolarHBondContact O-CB 3.31Å; R161-T165 PolarHBondContact O-OG1 2.7Å; T165-K168 HydrophobicContact CG2-CB 3.94Å; T165-K168 HydrophobicContact CG2-CD 4.16Å; T165-K168 WeakPolarHBondContact O-CB 3.43Å; T165-K168 PolarHBondContact O-N 2.92Å; T165-Y200 PolarHBondContact O-OH 2.96Å
166	I	81.8	Confident	83	Confident	31 Å²	31	51 Å²	51	16%	0.159	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	140.1	174.8	-61.2	-179.9	0	0	0	110.6	V82 M85 M86 I89 K168 V197 Y200	V82-I166 HydrophobicContact CG1-CD1 3.84Å; M85-I166 HydrophobicContact CB-CD1 4.11Å; M85-I166 HydrophobicContact CE-CD1 4.42Å; M86-I166 HydrophobicContact CB-CD1 4.4Å; M86-I166 HydrophobicContact CE-CD1 4.02Å; M86-I166 HydrophobicContact CE-CG1 4.27Å; I89-I166 HydrophobicContact CD1-CD1 4.35Å; I89-I166 HydrophobicContact CD1-CG2 3.6Å; I166-K168 VanDerWaalsContact C-N 3.26Å; I166-K168 PolarHBondContact O-N 3.46Å; I166-V197 HydrophobicContact CG2-CG1 4.35Å; I166-Y200 HydrophobicContact CB-CE2 4.37Å; I166-Y200 HydrophobicContact CG1-CE2 3.96Å
167	A	79.9	Confident	82.5	Confident	72 Å²	72	53.3 Å²	53.3	60%	0.595	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	22.3	-179	0	0	0	0	0	114.8	G196	A167-G196 WeakPolarHBondContact CA-O 3.48Å; A167-G196 PolarHBondContact N-O 3.5Å
168	K	80.3	Confident	81.5	Confident	55 Å²	55	48.4 Å²	48.4	24%	0.239	27%	0.266	C	S	.	.			trans	-105.6	127.6	172.2	-171.3	157.3	-178.6	124.1	0	111.1	R161 T165 I166 E173 G196	R161-K168 HydrophobicContact CG-CD 4.25Å; T165-K168 HydrophobicContact CG2-CB 3.94Å; T165-K168 HydrophobicContact CG2-CD 4.16Å; T165-K168 WeakPolarHBondContact O-CB 3.43Å; T165-K168 PolarHBondContact O-N 2.92Å; I166-K168 VanDerWaalsContact C-N 3.26Å; I166-K168 PolarHBondContact O-N 3.46Å; K168-E173 WeakPolarHBondContact CE-OE1 3.29Å; K168-E173 IonicContact NZ-OE1 3.5Å; K168-E173 PolarHBondContact NZ-OE1 3.09Å; K168-G196 WeakPolarHBondContact O-CA 3.5Å
169	S	79.7	Confident	80.6	Confident	17 Å²	17	49.1 Å²	49.1	12%	0.119	28%	0.275	C	S	.	.			trans	-118.5	114.2	176.3	178.6	0	0	0	0	111.3	T171 S172 E173 G193 Q194	S169-T171 PolarHBondContact O-N 3.44Å; S169-T171 WeakPolarHBondContact OG-CB 3.05Å; S169-T171 PolarHBondContact OG-N 3.05Å; S169-S172 WeakPolarHBondContact CB-OG 3.21Å; S169-S172 PolarHBondContact O-N 3.32Å; S169-S172 PolarHBondContact OG-N 3.41Å; S169-S172 VanDerWaalsContact OG-N 3.15Å; S169-S172 PolarHBondContact OG-OG 2.92Å; S169-E173 PolarHBondContact O-N 3.44Å; S169-E173 VanDerWaalsContact O-N 3.09Å; S169-G193 PolarHBondContact OG-O 2.89Å; S169-Q194 WeakPolarHBondContact CB-O 3.17Å
170	G	76.9	Confident	79.7	Confident	24 Å²	24	56.8 Å²	56.8	25%	0.247	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-22.8	168.7	0	0	0	0	0	113	F174	G170-F174 VanDerWaalsContact O-CB 3.32Å; G170-F174 WeakPolarHBondContact O-CB 3.13Å; G170-F174 PolarHBondContact O-N 2.66Å
171	T	80.4	Confident	78.6	Confident	11 Å²	11	61.5 Å²	61.5	7%	0.067	33%	0.33	C	S	.	.	H	α-helix	trans	-68.2	-41.9	170.3	-58.8	0	0	0	0	111.1	D110 K114 S169 F174 L175 L191 G193	D110-T171 WeakPolarHBondContact OD2-CB 3.49Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.38Å; D110-T171 PolarHBondContact OD2-OG1 3.08Å; K114-T171 WeakPolarHBondContact CE-OG1 3.43Å; K114-T171 PolarHBondContact NZ-OG1 2.72Å; S169-T171 PolarHBondContact O-N 3.44Å; S169-T171 WeakPolarHBondContact OG-CB 3.05Å; S169-T171 PolarHBondContact OG-N 3.05Å; T171-F174 PolarHBondContact O-N 2.79Å; T171-L175 WeakPolarHBondContact O-CB 3.31Å; T171-L175 PolarHBondContact O-N 2.73Å; T171-L191 HydrophobicContact CG2-CB 3.78Å; T171-L191 HydrophobicContact CG2-CD1 4.01Å; T171-L191 HydrophobicContact CG2-CD2 4.08Å; T171-L191 HydrophobicContact CG2-CG 4.17Å; T171-G193 VanDerWaalsContact CB-O 3.3Å; T171-G193 WeakPolarHBondContact CB-O 3.23Å
172	S	79.1	Confident	77.3	Confident	38 Å²	38	58.2 Å²	58.2	27%	0.266	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-41.1	176.3	-53.8	0	0	0	0	111.9	S169 F174 L175 N176 G193 Q194	S169-S172 WeakPolarHBondContact CB-OG 3.21Å; S169-S172 PolarHBondContact O-N 3.32Å; S169-S172 PolarHBondContact OG-N 3.41Å; S169-S172 VanDerWaalsContact OG-N 3.15Å; S169-S172 PolarHBondContact OG-OG 2.92Å; S172-F174 VanDerWaalsContact C-N 3.29Å; S172-F174 PolarHBondContact O-N 2.99Å; S172-L175 PolarHBondContact O-N 2.77Å; S172-N176 PolarHBondContact O-N 2.83Å; S172-N176 VanDerWaalsContact O-N 3.12Å; S172-N176 PolarHBondContact O-OD1 2.99Å; S172-G193 PolarHBondContact OG-O 3.2Å; S172-Q194 PolarHBondContact OG-O 2.74Å; S172-Q194 VanDerWaalsContact OG-O 3.13Å
173	E	82.4	Confident	75.2	Confident	58 Å²	58	62.5 Å²	62.5	27%	0.271	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-34	172.8	-71.5	-167.8	-173.3	0	0	112.4	R161 K168 S169 K177	R161-E173 IonicContact CZ-OE1 3.98Å; R161-E173 IonicContact CZ-OE2 3.17Å; R161-E173 IonicContact NE-OE1 3.86Å; R161-E173 IonicContact NE-OE2 2.82Å; R161-E173 IonicContact NH2-OE1 2.67Å; R161-E173 PolarHBondContact NH2-OE1 3.48Å; R161-E173 IonicContact NH2-OE2 3.83Å; R161-E173 PolarHBondContact NH2-OE2 3.29Å; K168-E173 WeakPolarHBondContact CE-OE1 3.29Å; K168-E173 IonicContact NZ-OE1 3.5Å; K168-E173 PolarHBondContact NZ-OE1 3.09Å; S169-E173 PolarHBondContact O-N 3.44Å; S169-E173 VanDerWaalsContact O-N 3.09Å; E173-K177 WeakPolarHBondContact O-CD 3.36Å; E173-K177 VanDerWaalsContact O-CG 3.31Å; E173-K177 WeakPolarHBondContact O-CG 3.32Å; E173-K177 PolarHBondContact O-N 2.77Å
174	F	79.3	Confident	73.2	Confident	37 Å²	37	71.5 Å²	71.5	16%	0.162	39%	0.394	C	S	.	.	H	α-helix	trans	-71.6	-45.3	175.1	-176.6	-88.4	0	0	0	112.4	K114 L117 L118 G170 T171 S172 N176 K177 M178 L191	K114-F174 HydrophobicContact CB-CE2 4.43Å; K114-F174 HydrophobicContact CB-CZ 4.37Å; K114-F174 HydrophobicContact CG-CD1 4Å; K114-F174 HydrophobicContact CG-CD2 4.16Å; K114-F174 HydrophobicContact CG-CE1 4.05Å; K114-F174 HydrophobicContact CG-CE2 4.2Å; K114-F174 HydrophobicContact CG-CG 4.06Å; K114-F174 HydrophobicContact CG-CZ 4.15Å; L117-F174 HydrophobicContact CB-CZ 4.41Å; L117-F174 HydrophobicContact CD1-CE1 4.11Å; L118-F174 HydrophobicContact CD2-CE2 4.49Å; L118-F174 HydrophobicContact CG-CE2 4.41Å; G170-F174 VanDerWaalsContact O-CB 3.32Å; G170-F174 WeakPolarHBondContact O-CB 3.13Å; G170-F174 PolarHBondContact O-N 2.66Å; T171-F174 PolarHBondContact O-N 2.79Å; S172-F174 VanDerWaalsContact C-N 3.29Å; S172-F174 PolarHBondContact O-N 2.99Å; F174-N176 VanDerWaalsContact C-N 3.35Å; F174-N176 PolarHBondContact O-N 3.04Å; F174-K177 PolarHBondContact O-N 3.37Å; F174-M178 HydrophobicContact CE1-SD 3.85Å; F174-M178 HydrophobicContact CZ-SD 4.31Å; F174-M178 WeakPolarHBondContact O-CB 3.15Å; F174-M178 PolarHBondContact O-N 2.86Å; F174-L191 HydrophobicContact CD1-CD1 4.09Å
175	L	74.9	Confident	71.7	Confident	45 Å²	45	73.8 Å²	73.8	24%	0.236	42%	0.418	C	S	.	.	H	α-helix	trans	-61.2	-42.5	-179.4	-172.2	155.2	0	0	0	111.6	T171 S172 M178 T179 L191	T171-L175 WeakPolarHBondContact O-CB 3.31Å; T171-L175 PolarHBondContact O-N 2.73Å; S172-L175 PolarHBondContact O-N 2.77Å; L175-M178 PolarHBondContact O-N 2.69Å; L175-T179 WeakPolarHBondContact O-CB 3.33Å; L175-T179 PolarHBondContact O-N 2.74Å; L175-T179 PolarHBondContact O-OG1 2.92Å; L175-L191 HydrophobicContact CB-CD1 4.35Å; L175-L191 HydrophobicContact CD1-CD1 4.44Å
176	N	78.5	Confident	70.2	Confident	94 Å²	94	75.9 Å²	75.9	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-59.6	-52.9	175.2	-70.7	7.3	0	0	0	111.2	S172 F174 M178 T179 E180	S172-N176 PolarHBondContact O-N 2.83Å; S172-N176 VanDerWaalsContact O-N 3.12Å; S172-N176 PolarHBondContact O-OD1 2.99Å; F174-N176 VanDerWaalsContact C-N 3.35Å; F174-N176 PolarHBondContact O-N 3.04Å; N176-M178 VanDerWaalsContact C-N 3.28Å; N176-M178 PolarHBondContact O-N 3.34Å; N176-T179 PolarHBondContact O-N 2.78Å; N176-T179 VanDerWaalsContact O-N 3.15Å; N176-E180 WeakPolarHBondContact O-CG 3.37Å; N176-E180 PolarHBondContact O-N 2.78Å
177	K	79.5	Confident	68.9	Low	123 Å²	123	78.7 Å²	78.7	54%	0.535	45%	0.445	S	S	.	.	H	α-helix	trans	-55.7	-42.1	176.5	-72.1	170.6	-179	175.8	0	112.2	E173 F174 E180 M181	E173-K177 WeakPolarHBondContact O-CD 3.36Å; E173-K177 VanDerWaalsContact O-CG 3.31Å; E173-K177 WeakPolarHBondContact O-CG 3.32Å; E173-K177 PolarHBondContact O-N 2.77Å; F174-K177 PolarHBondContact O-N 3.37Å; K177-E180 PolarHBondContact O-N 3.12Å; K177-M181 WeakPolarHBondContact O-CB 3.4Å; K177-M181 VanDerWaalsContact O-CG 3.22Å; K177-M181 WeakPolarHBondContact O-CG 3.39Å; K177-M181 PolarHBondContact O-N 2.85Å; K177-M181 VanDerWaalsContact O-N 3.1Å
178	M	70.3	Confident	67.7	Low	24 Å²	24	76.7 Å²	76.7	12%	0.118	43%	0.426	C	S	.	.	H	α-helix	trans	-69.3	-36.6	-178.7	-156.5	172.8	-154.4	0	0	111.9	L117 F174 L175 N176 M181 Q182 T188	L117-M178 HydrophobicContact CB-CE 3.89Å; L117-M178 HydrophobicContact CB-SD 4.37Å; L117-M178 HydrophobicContact CD1-SD 4.01Å; L117-M178 HydrophobicContact CD2-CE 4.1Å; L117-M178 HydrophobicContact CD2-SD 4.41Å; L117-M178 HydrophobicContact CG-CE 4.38Å; L117-M178 HydrophobicContact CG-SD 4.5Å; F174-M178 HydrophobicContact CE1-SD 3.85Å; F174-M178 HydrophobicContact CZ-SD 4.31Å; F174-M178 WeakPolarHBondContact O-CB 3.15Å; F174-M178 PolarHBondContact O-N 2.86Å; L175-M178 PolarHBondContact O-N 2.69Å; N176-M178 VanDerWaalsContact C-N 3.28Å; N176-M178 PolarHBondContact O-N 3.34Å; M178-M181 PolarHBondContact O-N 3.46Å; M178-Q182 HydrophobicContact CG-CG 4.46Å; M178-Q182 WeakPolarHBondContact O-CB 3.26Å; M178-Q182 VanDerWaalsContact O-CG 3.31Å; M178-Q182 WeakPolarHBondContact O-CG 3.24Å; M178-Q182 PolarHBondContact O-N 3.02Å; M178-Q182 PolarHBondContact O-OE1 3.12Å; M178-T188 HydrophobicContact CB-CG2 4.49Å; M178-T188 HydrophobicContact CG-CG2 4.13Å; M178-T188 HydrophobicContact SD-CG2 3.84Å
179	T	69.6	Low	66.6	Low	81 Å²	81	76.8 Å²	76.8	50%	0.497	43%	0.433	S	S	.	.	H	α-helix	trans	-68.5	-35.8	174.5	-55.2	0	0	0	0	111.7	L175 N176 M181	L175-T179 WeakPolarHBondContact O-CB 3.33Å; L175-T179 PolarHBondContact O-N 2.74Å; L175-T179 PolarHBondContact O-OG1 2.92Å; N176-T179 PolarHBondContact O-N 2.78Å; N176-T179 VanDerWaalsContact O-N 3.15Å; T179-M181 VanDerWaalsContact C-N 3.25Å; T179-M181 PolarHBondContact O-N 3.18Å
180	E	70.3	Confident	65.9	Low	160 Å²	160	77.9 Å²	77.9	75%	0.748	44%	0.437	S	S	*	.	H	α-helix	trans	-67.2	-23.5	172.1	-72	168	-164.1	0	0	113.2	N176 K177	N176-E180 WeakPolarHBondContact O-CG 3.37Å; N176-E180 PolarHBondContact O-N 2.78Å; K177-E180 PolarHBondContact O-N 3.12Å
181	M	65.4	Low	65.9	Low	166 Å²	166	77 Å²	77	82%	0.818	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-4.1	-176.5	-70.6	177.9	72.1	0	0	114.6	K177 M178 T179	K177-M181 WeakPolarHBondContact O-CB 3.4Å; K177-M181 VanDerWaalsContact O-CG 3.22Å; K177-M181 WeakPolarHBondContact O-CG 3.39Å; K177-M181 PolarHBondContact O-N 2.85Å; K177-M181 VanDerWaalsContact O-N 3.1Å; M178-M181 PolarHBondContact O-N 3.46Å; T179-M181 VanDerWaalsContact C-N 3.25Å; T179-M181 PolarHBondContact O-N 3.18Å
182	Q	60.5	Low	65.7	Low	51 Å²	51	77 Å²	77	24%	0.238	43%	0.425	C	S	.	.			trans	-119	136.8	-170.8	-77.1	174.5	-27.2	0	0	114	M178	M178-Q182 HydrophobicContact CG-CG 4.46Å; M178-Q182 WeakPolarHBondContact O-CB 3.26Å; M178-Q182 VanDerWaalsContact O-CG 3.31Å; M178-Q182 WeakPolarHBondContact O-CG 3.24Å; M178-Q182 PolarHBondContact O-N 3.02Å; M178-Q182 PolarHBondContact O-OE1 3.12Å
183	S	45.3	Very low	65.4	Low	115 Å²	115	75.4 Å²	75.4	80%	0.804	42%	0.416	S	S	*	.			trans	-86.6	161.8	155.7	47.2	0	0	0	0	110.8	G185	S183-G185 PolarHBondContact O-N 3.05Å
184	E	41.9	Very low	64.9	Low	208 Å²	208	77.7 Å²	77.7	97%	0.972	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	117.3	-171.5	-58.2	177.3	139.4	0	0	113.3
185	G	47.5	Very low	64.9	Low	76 Å²	76	78.7 Å²	78.7	78%	0.784	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	159.8	-23.5	169.1	0	0	0	0	0	118.3	S183	S183-G185 PolarHBondContact O-N 3.05Å
186	Q	51.8	Low	65.1	Low	108 Å²	108	77.4 Å²	77.4	51%	0.505	43%	0.429	S	S	.	.			trans	-100.7	136.2	-177	-74.1	-174.3	-31.3	0	0	113	T188	Q186-T188 PolarHBondContact O-N 2.98Å; Q186-T188 VanDerWaalsContact O-N 3.1Å
187	S	53	Low	65.4	Low	90 Å²	90	73.6 Å²	73.6	63%	0.629	41%	0.409	S	S	*	.			trans	-83.1	82.9	-171.6	-54.3	0	0	0	0	113.4	S189	S187-S189 PolarHBondContact O-N 2.84Å
188	T	54.4	Low	65.7	Low	29 Å²	29	68.2 Å²	68.2	18%	0.178	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-71.7	-1.8	171.8	53.7	0	0	0	0	114.2	M178 Q186 E190	M178-T188 HydrophobicContact CB-CG2 4.49Å; M178-T188 HydrophobicContact CG-CG2 4.13Å; M178-T188 HydrophobicContact SD-CG2 3.84Å; Q186-T188 PolarHBondContact O-N 2.98Å; Q186-T188 VanDerWaalsContact O-N 3.1Å; T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 3.24Å
189	S	58	Low	66.6	Low	58 Å²	58	68 Å²	68	41%	0.406	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-65.8	-18.5	-170.2	-45.3	0	0	0	0	115.9	S187 L191	S187-S189 PolarHBondContact O-N 2.84Å; S189-L191 VanDerWaalsContact C-N 3.35Å; S189-L191 PolarHBondContact O-N 3.37Å
190	E	64.9	Low	67.5	Low	40 Å²	40	64.5 Å²	64.5	19%	0.187	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-76.9	-16.2	-170.2	-54.3	-163.2	129.3	0	0	113.9	R116 T188 R419	R116-E190 IonicContact CZ-OE2 2.77Å; R116-E190 IonicContact NH1-OE2 3.22Å; R116-E190 PolarHBondContact NH1-OE2 3.1Å; R116-E190 IonicContact NH2-OE2 2.78Å; R116-E190 PolarHBondContact NH2-OE2 3.13Å; T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 3.24Å; E190-R419 IonicContact OE1-CZ 3.76Å; E190-R419 IonicContact OE1-NH1 2.99Å; E190-R419 PolarHBondContact OE1-NH1 3.49Å; E190-R419 IonicContact OE1-NH2 3.2Å; E190-R419 PolarHBondContact OE1-NH2 3.26Å
191	L	76.4	Confident	68.4	Low	5 Å²	5	56.9 Å²	56.9	3%	0.026	33%	0.329	C	S	.	.			trans	-70.5	135	-177.9	-66.7	173.4	0	0	0	113.4	D110 D113 T171 F174 L175 S189 R418	D110-L191 HydrophobicContact CB-CD2 4.46Å; D113-L191 HydrophobicContact CB-CD2 3.74Å; T171-L191 HydrophobicContact CG2-CB 3.78Å; T171-L191 HydrophobicContact CG2-CD1 4.01Å; T171-L191 HydrophobicContact CG2-CD2 4.08Å; T171-L191 HydrophobicContact CG2-CG 4.17Å; F174-L191 HydrophobicContact CD1-CD1 4.09Å; L175-L191 HydrophobicContact CB-CD1 4.35Å; L175-L191 HydrophobicContact CD1-CD1 4.44Å; S189-L191 VanDerWaalsContact C-N 3.35Å; S189-L191 PolarHBondContact O-N 3.37Å; L191-R418 VanDerWaalsContact O-CD 3.26Å; L191-R418 WeakPolarHBondContact O-CD 3.36Å; L191-R418 PolarHBondContact O-NH1 2.95Å
192	I	76.1	Confident	69.6	Low	10 Å²	10	49 Å²	49	5%	0.051	29%	0.29	C	S	.	.			trans	-106	-30.2	-169	-61	156.2	0	0	0	112.6	D110 Q194 R418 V420 R452	D110-I192 PolarHBondContact OD1-N 3.27Å; I192-Q194 PolarHBondContact O-N 3.48Å; I192-R418 HydrophobicContact CG1-CB 4.3Å; I192-V420 HydrophobicContact CD1-CG2 3.67Å; I192-V420 HydrophobicContact CG1-CG2 4.17Å; I192-V420 HydrophobicContact CG2-CG2 4.17Å; I192-R452 PolarHBondContact O-NH1 2.76Å; I192-R452 PolarHBondContact O-NH2 3.22Å
193	G	73.8	Confident	71	Confident	6 Å²	6	46.8 Å²	46.8	6%	0.062	28%	0.279	C	S	.	.			trans	-81.1	87.5	-169	0	0	0	0	0	116.8	D110 S169 T171 S172	D110-G193 PolarHBondContact OD1-N 3.05Å; D110-G193 WeakPolarHBondContact OD2-CA 3.3Å; D110-G193 PolarHBondContact OD2-N 2.57Å; S169-G193 PolarHBondContact OG-O 2.89Å; T171-G193 VanDerWaalsContact CB-O 3.3Å; T171-G193 WeakPolarHBondContact CB-O 3.23Å; S172-G193 PolarHBondContact OG-O 3.2Å
194	Q	72.4	Confident	73	Confident	105 Å²	105	42 Å²	42	49%	0.491	25%	0.245	S	C	.	.			trans	-92.4	-47.9	176.7	-68.9	-177.7	-14.2	0	0	114.9	S169 S172 I192	S169-Q194 WeakPolarHBondContact CB-O 3.17Å; S172-Q194 PolarHBondContact OG-O 2.74Å; S172-Q194 VanDerWaalsContact OG-O 3.13Å; I192-Q194 PolarHBondContact O-N 3.48Å
195	F	77.6	Confident	75.2	Confident	58 Å²	58	32.2 Å²	32.2	25%	0.254	20%	0.199	S	C	.	.	S	Bend	trans	-80.8	-17.4	-161.6	-59.9	-69.6	0	0	0	117.2	V197	F195-V197 VanDerWaalsContact C-N 3.33Å; F195-V197 HydrophobicContact CB-CG2 4.03Å; F195-V197 PolarHBondContact O-N 2.58Å
196	G	80.6	Confident	77.1	Confident	19 Å²	19	28.6 Å²	28.6	20%	0.196	16%	0.162	C	C	.	.	S	Bend	trans	65.4	28.2	-178.3	0	0	0	0	0	115.6	A167 K168	A167-G196 WeakPolarHBondContact CA-O 3.48Å; A167-G196 PolarHBondContact N-O 3.5Å; K168-G196 WeakPolarHBondContact O-CA 3.5Å
197	V	84.6	Confident	78.8	Confident	14 Å²	14	25.4 Å²	25.4	9%	0.085	15%	0.148	C	C	.	.			trans	-128.1	-17.1	176.8	-61.5	0	0	0	0	114.8	I89 L93 I166 F195 F199 Y200 V450	I89-V197 HydrophobicContact CD1-CG1 4.11Å; L93-V197 HydrophobicContact CD2-CG2 4.31Å; I166-V197 HydrophobicContact CG2-CG1 4.35Å; F195-V197 VanDerWaalsContact C-N 3.33Å; F195-V197 HydrophobicContact CB-CG2 4.03Å; F195-V197 PolarHBondContact O-N 2.58Å; V197-F199 VanDerWaalsContact C-N 3.29Å; V197-F199 PolarHBondContact O-N 3.44Å; V197-Y200 HydrophobicContact CB-CD2 4.48Å; V197-Y200 WeakPolarHBondContact O-CD2 3.38Å; V197-Y200 PolarHBondContact O-N 3.18Å; V197-Y200 VanDerWaalsContact O-N 3.08Å; V197-V450 HydrophobicContact CG2-CG1 4.13Å
198	G	85.3	Confident	80.6	Confident	10 Å²	10	24.1 Å²	24.1	10%	0.103	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.6	-171.5	0	0	0	0	0	114.7	E103 Y200 S201	E103-G198 WeakPolarHBondContact CB-O 3.5Å; G198-Y200 VanDerWaalsContact C-N 3.29Å; G198-Y200 PolarHBondContact O-N 2.75Å; G198-S201 VanDerWaalsContact O-CB 3.3Å; G198-S201 WeakPolarHBondContact O-CB 3.4Å; G198-S201 PolarHBondContact O-N 3.08Å; G198-S201 VanDerWaalsContact O-N 3.17Å; G198-S201 PolarHBondContact O-OG 3.49Å
199	F	89.4	Confident	82.4	Confident	18 Å²	18	22.7 Å²	22.7	8%	0.079	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-57.1	-39.6	174.6	171.8	-109.3	0	0	0	112.8	L104 L163 V197 S201 A202 V209 V211 W223 I247	L104-F199 HydrophobicContact CD2-CD2 4.16Å; L163-F199 HydrophobicContact CB-CE1 4.26Å; L163-F199 HydrophobicContact CD1-CE1 4.45Å; L163-F199 HydrophobicContact CD1-CZ 4.25Å; L163-F199 HydrophobicContact CD2-CD1 3.97Å; L163-F199 HydrophobicContact CD2-CD2 4.33Å; L163-F199 HydrophobicContact CD2-CE1 4.1Å; L163-F199 HydrophobicContact CD2-CE2 4.45Å; L163-F199 HydrophobicContact CD2-CG 4.09Å; L163-F199 HydrophobicContact CD2-CZ 4.34Å; V197-F199 VanDerWaalsContact C-N 3.29Å; V197-F199 PolarHBondContact O-N 3.44Å; F199-S201 PolarHBondContact O-N 3.09Å; F199-S201 VanDerWaalsContact O-N 3.17Å; F199-A202 WeakPolarHBondContact O-CB 3.32Å; F199-A202 PolarHBondContact O-N 3.2Å; F199-A202 VanDerWaalsContact O-N 3.07Å; F199-V209 HydrophobicContact CE2-CG1 4.08Å; F199-V209 HydrophobicContact CZ-CG1 3.88Å; F199-V211 HydrophobicContact CE2-CG2 3.76Å; F199-V211 HydrophobicContact CZ-CG2 3.72Å; F199-W223 AromaticContact CE1-CH2 3.64Å; F199-W223 HydrophobicContact CE1-CH2 3.64Å; F199-W223 HydrophobicContact CE1-CZ2 4.29Å; F199-W223 AromaticContact CE1-CZ3 4Å; F199-W223 HydrophobicContact CE1-CZ3 4Å; F199-W223 HydrophobicContact CZ-CE3 4.42Å; F199-W223 AromaticContact CZ-CH2 3.88Å; F199-W223 HydrophobicContact CZ-CH2 3.88Å; F199-W223 AromaticContact CZ-CZ3 3.72Å; F199-W223 HydrophobicContact CZ-CZ3 3.72Å; F199-I247 HydrophobicContact CE2-CD1 4.44Å
200	Y	89.2	Confident	84.1	Confident	8 Å²	8	21.6 Å²	21.6	3%	0.031	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-70.3	-12.2	-177.8	-50.8	-61.3	0	0	0	113.5	M86 L163 T165 I166 V197 G198 A202 F203	M86-Y200 HydrophobicContact CE-CD1 3.61Å; M86-Y200 HydrophobicContact CE-CE1 3.71Å; M86-Y200 HydrophobicContact CE-CG 4.13Å; M86-Y200 HydrophobicContact SD-CD1 3.78Å; M86-Y200 HydrophobicContact SD-CD2 4.49Å; M86-Y200 HydrophobicContact SD-CE1 4.46Å; M86-Y200 HydrophobicContact SD-CG 3.79Å; L163-Y200 WeakPolarHBondContact O-CE1 3.44Å; L163-Y200 PolarHBondContact O-OH 3.03Å; T165-Y200 PolarHBondContact O-OH 2.96Å; I166-Y200 HydrophobicContact CB-CE2 4.37Å; I166-Y200 HydrophobicContact CG1-CE2 3.96Å; V197-Y200 HydrophobicContact CB-CD2 4.48Å; V197-Y200 WeakPolarHBondContact O-CD2 3.38Å; V197-Y200 PolarHBondContact O-N 3.18Å; V197-Y200 VanDerWaalsContact O-N 3.08Å; G198-Y200 VanDerWaalsContact C-N 3.29Å; G198-Y200 PolarHBondContact O-N 2.75Å; Y200-A202 PolarHBondContact O-N 3.07Å; Y200-F203 HydrophobicContact CD1-CE2 4.45Å; Y200-F203 PolarHBondContact O-N 3.19Å; Y200-F203 VanDerWaalsContact O-N 3.08Å
201	S	88.9	Confident	85.5	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61.8	-19.5	169	72.9	0	0	0	0	112.7	F100 G198 F199 F203 L204	F100-S201 WeakPolarHBondContact CB-O 3.5Å; G198-S201 VanDerWaalsContact O-CB 3.3Å; G198-S201 WeakPolarHBondContact O-CB 3.4Å; G198-S201 PolarHBondContact O-N 3.08Å; G198-S201 VanDerWaalsContact O-N 3.17Å; G198-S201 PolarHBondContact O-OG 3.49Å; F199-S201 PolarHBondContact O-N 3.09Å; F199-S201 VanDerWaalsContact O-N 3.17Å; S201-F203 PolarHBondContact O-N 2.84Å; S201-L204 WeakPolarHBondContact O-CB 3.5Å; S201-L204 WeakPolarHBondContact O-CD1 3.17Å; S201-L204 WeakPolarHBondContact O-CG 3.36Å; S201-L204 PolarHBondContact O-N 3.46Å
202	A	90.1	Very high	86.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-53.7	-36.2	169.3	0	0	0	0	0	112.8	L104 F199 Y200 L204 V205 A206 V209 L249	L104-A202 HydrophobicContact CD1-CB 4.34Å; F199-A202 WeakPolarHBondContact O-CB 3.32Å; F199-A202 PolarHBondContact O-N 3.2Å; F199-A202 VanDerWaalsContact O-N 3.07Å; Y200-A202 PolarHBondContact O-N 3.07Å; A202-L204 PolarHBondContact O-N 2.62Å; A202-V205 PolarHBondContact O-N 3.48Å; A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 3.25Å; A202-V209 HydrophobicContact CB-CG2 3.82Å; A202-L249 HydrophobicContact CB-CD2 3.75Å
203	F	89.6	Confident	87.2	Confident	6 Å²	6	20 Å²	20	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-75.6	1.5	177.5	-64.7	-73.4	0	0	0	114.1	I90 Y200 S201 V209 K254	I90-F203 HydrophobicContact CD1-CB 3.55Å; I90-F203 HydrophobicContact CD1-CG 4.31Å; I90-F203 HydrophobicContact CG1-CB 3.93Å; Y200-F203 HydrophobicContact CD1-CE2 4.45Å; Y200-F203 PolarHBondContact O-N 3.19Å; Y200-F203 VanDerWaalsContact O-N 3.08Å; S201-F203 PolarHBondContact O-N 2.84Å; F203-V209 HydrophobicContact CD1-CG2 3.87Å; F203-V209 HydrophobicContact CD2-CG2 4.45Å; F203-V209 HydrophobicContact CE1-CB 4.04Å; F203-V209 HydrophobicContact CE1-CG2 3.57Å; F203-V209 HydrophobicContact CE2-CG2 4.17Å; F203-V209 HydrophobicContact CG-CG2 4.31Å; F203-V209 HydrophobicContact CZ-CB 3.89Å; F203-V209 HydrophobicContact CZ-CG2 3.72Å; F203-K254 PolarHBondContact O-NZ 3.03Å
204	L	87.5	Confident	88.2	Confident	15 Å²	15	20.6 Å²	20.6	8%	0.079	11%	0.106	C	C	.	.	H	α-helix	trans	-62.7	-54	162.8	-66.9	166	0	0	0	109.4	I90 Y94 I99 S201 A202 K254	I90-L204 HydrophobicContact CG2-CD2 4.39Å; I90-L204 WeakPolarHBondContact O-CD2 3.33Å; Y94-L204 HydrophobicContact CD2-CD1 4.11Å; Y94-L204 HydrophobicContact CG-CD1 4.49Å; I99-L204 HydrophobicContact CD1-CD1 4.33Å; I99-L204 HydrophobicContact CG1-CD1 4.09Å; S201-L204 WeakPolarHBondContact O-CB 3.5Å; S201-L204 WeakPolarHBondContact O-CD1 3.17Å; S201-L204 WeakPolarHBondContact O-CG 3.36Å; S201-L204 PolarHBondContact O-N 3.46Å; A202-L204 PolarHBondContact O-N 2.62Å; L204-K254 PolarHBondContact O-NZ 3.46Å
205	V	87.8	Confident	89	Confident	1 Å²	1	16.8 Å²	16.8	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-100.3	-27.3	-172.3	-60.3	0	0	0	0	113.9	K97 F100 A202 L249 L251 K254 A257 F260	K97-V205 HydrophobicContact CB-CG1 4.33Å; F100-V205 HydrophobicContact CB-CG2 4.29Å; F100-V205 HydrophobicContact CD1-CB 4.34Å; F100-V205 HydrophobicContact CD1-CG1 3.65Å; F100-V205 HydrophobicContact CD1-CG2 3.72Å; F100-V205 HydrophobicContact CD2-CG2 3.63Å; F100-V205 HydrophobicContact CE1-CB 4.47Å; F100-V205 HydrophobicContact CE1-CG1 3.91Å; F100-V205 HydrophobicContact CE1-CG2 3.93Å; F100-V205 HydrophobicContact CE2-CG2 3.87Å; F100-V205 HydrophobicContact CG-CG1 4.24Å; F100-V205 HydrophobicContact CG-CG2 3.57Å; F100-V205 HydrophobicContact CZ-CG2 4.01Å; A202-V205 PolarHBondContact O-N 3.48Å; V205-L249 HydrophobicContact CG2-CD1 4.3Å; V205-L251 HydrophobicContact CB-CD2 4.13Å; V205-L251 HydrophobicContact CG2-CD2 4.34Å; V205-K254 VanDerWaalsContact O-CD 3.27Å; V205-K254 WeakPolarHBondContact O-CD 3.47Å; V205-A257 HydrophobicContact CB-CB 4.09Å; V205-F260 HydrophobicContact CB-CD2 4.21Å; V205-F260 HydrophobicContact CB-CE2 4.48Å; V205-F260 HydrophobicContact CG1-CD2 3.65Å; V205-F260 HydrophobicContact CG1-CE2 3.5Å; V205-F260 HydrophobicContact CG1-CZ 4.25Å
206	A	88.5	Confident	89.5	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.09	C	C	.	.			trans	-96.5	152.1	178	0	0	0	0	0	112.1	A202 V209 L249 R250 K254	A202-A206 WeakPolarHBondContact O-CB 3.4Å; A202-A206 PolarHBondContact O-N 3.25Å; A206-V209 HydrophobicContact CB-CG2 4.04Å; A206-L249 HydrophobicContact CB-CB 4.04Å; A206-L249 HydrophobicContact CB-CD2 4.2Å; A206-R250 WeakPolarHBondContact CA-O 3.28Å; A206-K254 PolarHBondContact O-NZ 2.76Å
207	D	86.8	Confident	89.8	Confident	40 Å²	40	22.5 Å²	22.5	21%	0.214	12%	0.117	C	C	.	.	S	Bend	trans	-92.7	-32.3	168.7	-54.4	-64.8	0	0	0	111.5	R250 V252 L253 K254	D207-R250 PolarHBondContact N-O 3.1Å; D207-V252 PolarHBondContact OD2-N 2.91Å; D207-L253 HydrophobicContact CB-CD1 4.49Å; D207-L253 WeakPolarHBondContact OD2-CA 3.43Å; D207-L253 WeakPolarHBondContact OD2-CB 3.4Å; D207-L253 PolarHBondContact OD2-N 2.89Å; D207-K254 WeakPolarHBondContact OD1-CD 3.22Å; D207-K254 WeakPolarHBondContact OD1-CE 3.23Å; D207-K254 WeakPolarHBondContact OD1-CG 3.45Å
208	K	90.1	Very high	90	Very high	63 Å²	63	23.9 Å²	23.9	27%	0.274	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.6	-179.6	172.6	165.5	-71.9	-166.2	0	109.1	I210 E224 S225 R250	K208-I210 HydrophobicContact CG-CG1 4.28Å; K208-E224 HydrophobicContact CD-CG 3.93Å; K208-E224 WeakPolarHBondContact CD-OE1 3.44Å; K208-E224 VanDerWaalsContact CE-OE1 3.28Å; K208-E224 WeakPolarHBondContact CE-OE1 3.45Å; K208-E224 HydrophobicContact CG-CG 4.22Å; K208-E224 IonicContact NZ-OE1 3.44Å; K208-E224 PolarHBondContact NZ-OE1 2.86Å; K208-S225 WeakPolarHBondContact CA-O 3.23Å; K208-R250 HydrophobicContact CB-CB 4.35Å; K208-R250 PolarHBondContact O-N 2.81Å
209	V	93	Very high	90.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.8	177.5	179.8	0	0	0	0	107.8	F199 A202 F203 A206 V211 W223 S225 I247 L249	F199-V209 HydrophobicContact CE2-CG1 4.08Å; F199-V209 HydrophobicContact CZ-CG1 3.88Å; A202-V209 HydrophobicContact CB-CG2 3.82Å; F203-V209 HydrophobicContact CD1-CG2 3.87Å; F203-V209 HydrophobicContact CD2-CG2 4.45Å; F203-V209 HydrophobicContact CE1-CB 4.04Å; F203-V209 HydrophobicContact CE1-CG2 3.57Å; F203-V209 HydrophobicContact CE2-CG2 4.17Å; F203-V209 HydrophobicContact CG-CG2 4.31Å; F203-V209 HydrophobicContact CZ-CB 3.89Å; F203-V209 HydrophobicContact CZ-CG2 3.72Å; A206-V209 HydrophobicContact CB-CG2 4.04Å; V209-V211 HydrophobicContact CG1-CG2 3.98Å; V209-W223 HydrophobicContact CB-CZ3 4.39Å; V209-W223 HydrophobicContact CG1-CZ3 4.33Å; V209-S225 PolarHBondContact N-O 3.25Å; V209-S225 PolarHBondContact O-N 3.01Å; V209-I247 HydrophobicContact CG1-CG2 4.22Å; V209-L249 HydrophobicContact CG1-CD2 4.21Å; V209-L249 HydrophobicContact CG2-CD2 3.96Å
210	I	93.8	Very high	90.4	Very high	35 Å²	35	26.6 Å²	26.6	18%	0.179	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.1	175.4	-56.6	168.5	0	0	0	106.9	K208 I222 W223 E224 T248	K208-I210 HydrophobicContact CG-CG1 4.28Å; I210-I222 HydrophobicContact CG2-CG2 3.67Å; I210-W223 CarbonylContact C-O 3.42Å; I210-W223 WeakPolarHBondContact CA-O 3.37Å; I210-E224 HydrophobicContact CG1-CB 4.44Å; I210-E224 HydrophobicContact CG1-CG 4.07Å; I210-T248 PolarHBondContact N-O 3.13Å; I210-T248 PolarHBondContact O-N 3.19Å
211	V	95	Very high	90.6	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	105.4	-180	-177.4	0	0	0	0	107.9	M154 L159 L163 F199 V209 W223 T245 I247	M154-V211 HydrophobicContact CE-CG1 4.19Å; L159-V211 HydrophobicContact CD2-CG1 4.39Å; L163-V211 HydrophobicContact CD1-CB 4.37Å; L163-V211 HydrophobicContact CD1-CG1 4.17Å; L163-V211 HydrophobicContact CD1-CG2 4.31Å; F199-V211 HydrophobicContact CE2-CG2 3.76Å; F199-V211 HydrophobicContact CZ-CG2 3.72Å; V209-V211 HydrophobicContact CG1-CG2 3.98Å; V211-W223 HydrophobicContact CB-CB 4.29Å; V211-W223 HydrophobicContact CB-CE3 4.2Å; V211-W223 HydrophobicContact CG2-CE3 3.87Å; V211-W223 HydrophobicContact CG2-CZ3 4.26Å; V211-W223 PolarHBondContact N-O 3.03Å; V211-W223 PolarHBondContact O-N 3.22Å; V211-T245 HydrophobicContact CG1-CG2 3.41Å; V211-T245 VanDerWaalsContact CG1-CG2 3.41Å; V211-I247 HydrophobicContact CG1-CG1 4.31Å; V211-I247 HydrophobicContact CG2-CG1 4.3Å; V211-I247 HydrophobicContact CG2-CG2 4.47Å
212	T	94.3	Very high	90.8	Very high	19 Å²	19	28 Å²	28	12%	0.117	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	124	170.1	-56	0	0	0	0	108	Q220 H221 I222 D235 L241 T245 T246	T212-Q220 HydrophobicContact CG2-CG 3.73Å; T212-H221 CarbonylContact C-O 3.59Å; T212-H221 WeakPolarHBondContact CA-O 3.29Å; T212-I222 HydrophobicContact CG2-CG1 4.3Å; T212-D235 WeakPolarHBondContact CG2-OD2 3.4Å; T212-L241 HydrophobicContact CG2-CD1 3.84Å; T212-T245 CarbonylContact O-C 3.52Å; T212-T245 WeakPolarHBondContact O-CA 3.42Å; T212-T245 WeakPolarHBondContact O-CG2 3.45Å; T212-T246 PolarHBondContact N-O 2.72Å; T212-T246 PolarHBondContact O-N 2.96Å
213	S	94.3	Very high	91	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.2	-178.8	-158.6	0	0	0	0	112	G153 M154 Q220 H221 G244 T245	G153-S213 WeakPolarHBondContact CA-OG 3.44Å; M154-S213 PolarHBondContact N-OG 2.74Å; S213-Q220 WeakPolarHBondContact O-CA 3.45Å; S213-H221 PolarHBondContact N-O 3Å; S213-H221 PolarHBondContact O-N 3.09Å; S213-G244 WeakPolarHBondContact CA-O 3.47Å; S213-G244 PolarHBondContact OG-O 3.06Å; S213-T245 PolarHBondContact OG-OG1 2.89Å
214	K	92.9	Very high	91.2	Very high	19 Å²	19	31 Å²	31	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	109.6	178.3	176.6	71.1	178.2	87.5	0	108.9	D218 Q220 D239 L241 G242 G244	K214-D218 PolarHBondContact NZ-O 3.18Å; K214-Q220 HydrophobicContact CB-CG 4.34Å; K214-Q220 HydrophobicContact CD-CB 4.06Å; K214-D239 WeakPolarHBondContact CE-OD1 3.28Å; K214-D239 WeakPolarHBondContact CE-OD2 3.42Å; K214-D239 WeakPolarHBondContact CG-OD1 3.49Å; K214-D239 IonicContact NZ-OD2 2.65Å; K214-L241 HydrophobicContact CB-CB 4.13Å; K214-G242 VanDerWaalsContact CG-O 3.29Å; K214-G242 WeakPolarHBondContact CG-O 3.36Å; K214-G244 PolarHBondContact N-O 3.08Å; K214-G244 PolarHBondContact O-N 3.39Å
215	H	90.9	Very high	91.4	Very high	26 Å²	26	30.7 Å²	30.7	12%	0.12	16%	0.16	C	C	.	.			trans	-90.6	153.1	169.2	-175.8	-102.6	0	0	0	110.2	I152 T155 N217 D218	I152-H215 PolarHBondContact O-CD2 2.9Å; I152-H215 VanDerWaalsContact O-CD2 3.25Å; T155-H215 HydrophobicContact CG2-CB 3.97Å; T155-H215 WeakPolarHBondContact CG2-ND1 3.4Å; H215-N217 VanDerWaalsContact C-N 3.26Å; H215-N217 PolarHBondContact ND1-N 2.89Å; H215-N217 VanDerWaalsContact ND1-N 3.18Å; H215-N217 PolarHBondContact O-N 3.42Å; H215-D218 HydrophobicContact CB-CB 4.42Å; H215-D218 PolarHBondContact O-N 2.97Å; H215-D218 VanDerWaalsContact O-O 3.11Å
216	N	87.3	Confident	91.4	Very high	53 Å²	53	33.2 Å²	33.2	28%	0.283	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-41.2	179.5	-76.4	1.1	0	0	0	112.3	A125 D218 R243	A125-N216 PolarHBondContact O-ND2 2.83Å; N216-D218 PolarHBondContact O-N 3.44Å; N216-R243 WeakPolarHBondContact OD1-CD 3.48Å; N216-R243 VanDerWaalsContact OD1-CG 3.24Å; N216-R243 WeakPolarHBondContact OD1-CG 3.43Å
217	N	86.9	Confident	91.2	Very high	143 Å²	143	34.6 Å²	34.6	77%	0.765	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	12	-171.3	-55.2	-8.6	0	0	0	114.5	H215	H215-N217 VanDerWaalsContact C-N 3.26Å; H215-N217 PolarHBondContact ND1-N 2.89Å; H215-N217 VanDerWaalsContact ND1-N 3.18Å; H215-N217 PolarHBondContact O-N 3.42Å
218	D	89.1	Confident	91.2	Very high	44 Å²	44	37 Å²	37	24%	0.235	20%	0.196	C	C	.	.	S	Bend	trans	-147	168.8	-174.4	-161.7	-4.7	0	0	0	111.1	T155 K156 K214 H215 N216 H221	T155-D218 WeakPolarHBondContact CA-OD2 3.12Å; T155-D218 VanDerWaalsContact CB-OD2 3.25Å; T155-D218 WeakPolarHBondContact CB-OD2 3.22Å; T155-D218 HydrophobicContact CG2-CB 3.93Å; K156-D218 PolarHBondContact N-OD2 3.11Å; K214-D218 PolarHBondContact NZ-O 3.18Å; H215-D218 HydrophobicContact CB-CB 4.42Å; H215-D218 PolarHBondContact O-N 2.97Å; H215-D218 VanDerWaalsContact O-O 3.11Å; N216-D218 PolarHBondContact O-N 3.44Å; D218-H221 IonicContact OD1-CD2 2.7Å; D218-H221 IonicContact OD1-NE2 2.77Å; D218-H221 PolarHBondContact OD1-NE2 2.89Å; D218-H221 IonicContact OD2-CD2 2.68Å; D218-H221 IonicContact OD2-NE2 3.34Å; D218-H221 PolarHBondContact OD2-NE2 3.47Å
219	T	90	Very high	91.1	Very high	76 Å²	76	40.7 Å²	40.7	47%	0.466	21%	0.214	S	C	.	.			trans	-75	168.8	174.3	51.1	0	0	0	0	112.1	H221	T219-H221 PolarHBondContact N-NE2 2.84Å; T219-H221 PolarHBondContact O-CD2 2.95Å; T219-H221 PolarHBondContact O-NE2 2.94Å; T219-H221 PolarHBondContact OG1-CE1 2.84Å; T219-H221 PolarHBondContact OG1-NE2 3.4Å
220	Q	92.1	Very high	91	Very high	9 Å²	9	44.6 Å²	44.6	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.7	172.8	-167	168	-67.8	0	0	109.5	T212 S213 K214 D235 E238	T212-Q220 HydrophobicContact CG2-CG 3.73Å; S213-Q220 WeakPolarHBondContact O-CA 3.45Å; K214-Q220 HydrophobicContact CB-CG 4.34Å; K214-Q220 HydrophobicContact CD-CB 4.06Å; Q220-D235 HydrophobicContact CB-CB 4.02Å; Q220-D235 HydrophobicContact CG-CB 3.87Å; Q220-D235 PolarHBondContact NE2-OD2 3.26Å; Q220-D235 PolarHBondContact O-N 2.93Å; Q220-E238 WeakPolarHBondContact CB-O 3.47Å; Q220-E238 PolarHBondContact NE2-O 3.02Å; Q220-E238 PolarHBondContact OE1-O 2.96Å
221	H	93.3	Very high	91	Very high	4 Å²	4	46 Å²	46	2%	0.019	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.8	-179.9	-64	-75.3	0	0	0	111.1	K156 L159 T212 S213 D218 T219 V232 I233 E234	K156-H221 VanDerWaalsContact CD-CE1 3.44Å; K156-H221 WeakPolarHBondContact CD-CE1 3.39Å; L159-H221 HydrophobicContact CD1-CB 3.62Å; T212-H221 CarbonylContact C-O 3.59Å; T212-H221 WeakPolarHBondContact CA-O 3.29Å; S213-H221 PolarHBondContact N-O 3Å; S213-H221 PolarHBondContact O-N 3.09Å; D218-H221 IonicContact OD1-CD2 2.7Å; D218-H221 IonicContact OD1-NE2 2.77Å; D218-H221 PolarHBondContact OD1-NE2 2.89Å; D218-H221 IonicContact OD2-CD2 2.68Å; D218-H221 IonicContact OD2-NE2 3.34Å; D218-H221 PolarHBondContact OD2-NE2 3.47Å; T219-H221 PolarHBondContact N-NE2 2.84Å; T219-H221 PolarHBondContact O-CD2 2.95Å; T219-H221 PolarHBondContact O-NE2 2.94Å; T219-H221 PolarHBondContact OG1-CE1 2.84Å; T219-H221 PolarHBondContact OG1-NE2 3.4Å; H221-V232 HydrophobicContact CB-CG1 4.46Å; H221-I233 CarbonylContact C-O 3.53Å; H221-I233 WeakPolarHBondContact CA-O 3.49Å; H221-E234 VanDerWaalsContact CE1-CD 3.42Å; H221-E234 WeakPolarHBondContact CE1-CG 3.29Å; H221-E234 IonicContact CE1-OE1 3.69Å; H221-E234 PolarHBondContact CE1-OE1 3.43Å
222	I	93.6	Very high	90.9	Very high	33 Å²	33	48 Å²	48	17%	0.169	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.9	170.2	-52	176.3	0	0	0	108.4	I210 T212 V232 I233 D235	I210-I222 HydrophobicContact CG2-CG2 3.67Å; T212-I222 HydrophobicContact CG2-CG1 4.3Å; I222-V232 WeakPolarHBondContact O-CA 3.21Å; I222-I233 HydrophobicContact CB-CG2 3.97Å; I222-I233 PolarHBondContact N-O 3.48Å; I222-I233 PolarHBondContact O-N 2.87Å; I222-D235 HydrophobicContact CD1-CB 4.16Å; I222-D235 HydrophobicContact CG1-CB 3.91Å
223	W	94.8	Very high	90.8	Very high	4 Å²	4	52 Å²	52	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.5	167.4	179.6	107.6	0	0	0	108.6	L159 L163 F199 V209 I210 V211 F230 S231 V232	L159-W223 HydrophobicContact CD2-CB 4.29Å; L163-W223 HydrophobicContact CB-CZ2 4.07Å; L163-W223 HydrophobicContact CD1-CD2 4.19Å; L163-W223 HydrophobicContact CD1-CG 4.34Å; F199-W223 AromaticContact CE1-CH2 3.64Å; F199-W223 HydrophobicContact CE1-CH2 3.64Å; F199-W223 HydrophobicContact CE1-CZ2 4.29Å; F199-W223 AromaticContact CE1-CZ3 4Å; F199-W223 HydrophobicContact CE1-CZ3 4Å; F199-W223 HydrophobicContact CZ-CE3 4.42Å; F199-W223 AromaticContact CZ-CH2 3.88Å; F199-W223 HydrophobicContact CZ-CH2 3.88Å; F199-W223 AromaticContact CZ-CZ3 3.72Å; F199-W223 HydrophobicContact CZ-CZ3 3.72Å; V209-W223 HydrophobicContact CB-CZ3 4.39Å; V209-W223 HydrophobicContact CG1-CZ3 4.33Å; I210-W223 CarbonylContact C-O 3.42Å; I210-W223 WeakPolarHBondContact CA-O 3.37Å; V211-W223 HydrophobicContact CB-CB 4.29Å; V211-W223 HydrophobicContact CB-CE3 4.2Å; V211-W223 HydrophobicContact CG2-CE3 3.87Å; V211-W223 HydrophobicContact CG2-CZ3 4.26Å; V211-W223 PolarHBondContact N-O 3.03Å; V211-W223 PolarHBondContact O-N 3.22Å; W223-F230 AromaticContact CD1-CD2 3.83Å; W223-F230 HydrophobicContact CD2-CB 4.4Å; W223-F230 AromaticContact CE2-CG 3.88Å; W223-F230 HydrophobicContact CH2-CB 4.44Å; W223-F230 HydrophobicContact CZ2-CB 3.68Å; W223-F230 HydrophobicContact CZ2-CD1 4.38Å; W223-F230 HydrophobicContact CZ2-CG 4.02Å; W223-F230 AromaticContact NE1-CD2 3.27Å; W223-F230 VanDerWaalsContact NE1-CD2 3.27Å; W223-F230 AromaticContact NE1-CE2 3.88Å; W223-F230 AromaticContact NE1-CG 3.52Å; W223-S231 WeakPolarHBondContact CA-O 3.18Å; W223-V232 HydrophobicContact CG-CG2 4.38Å
224	E	93.6	Very high	90.7	Very high	65 Å²	65	57 Å²	57	30%	0.304	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.7	179.8	176.4	178	140.3	0	0	110.9	K208 I210 F230 S231	K208-E224 HydrophobicContact CD-CG 3.93Å; K208-E224 WeakPolarHBondContact CD-OE1 3.44Å; K208-E224 VanDerWaalsContact CE-OE1 3.28Å; K208-E224 WeakPolarHBondContact CE-OE1 3.45Å; K208-E224 HydrophobicContact CG-CG 4.22Å; K208-E224 IonicContact NZ-OE1 3.44Å; K208-E224 PolarHBondContact NZ-OE1 2.86Å; I210-E224 HydrophobicContact CG1-CB 4.44Å; I210-E224 HydrophobicContact CG1-CG 4.07Å; E224-F230 CarbonylContact O-C 3.54Å; E224-F230 VanDerWaalsContact O-CA 3.22Å; E224-F230 WeakPolarHBondContact O-CA 3.3Å; E224-S231 PolarHBondContact N-O 2.63Å; E224-S231 PolarHBondContact O-N 2.9Å; E224-S231 PolarHBondContact O-OG 2.88Å
225	S	92.3	Very high	90.5	Very high	8 Å²	8	56.6 Å²	56.6	6%	0.056	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	150	-178.3	-177.5	0	0	0	0	114.7	K208 V209 S227 Q229	K208-S225 WeakPolarHBondContact CA-O 3.23Å; V209-S225 PolarHBondContact N-O 3.25Å; V209-S225 PolarHBondContact O-N 3.01Å; S225-S227 PolarHBondContact OG-N 3.47Å; S225-S227 VanDerWaalsContact OG-N 3.17Å; S225-Q229 WeakPolarHBondContact CA-O 3.49Å; S225-Q229 VanDerWaalsContact CB-O 3.29Å; S225-Q229 WeakPolarHBondContact CB-O 3.47Å; S225-Q229 PolarHBondContact OG-O 3.24Å
226	D	87.1	Confident	90.3	Very high	55 Å²	55	61 Å²	61	29%	0.294	33%	0.329	S	S	.	.			trans	-108.4	17.9	174.6	69.2	-7.9	0	0	0	113	N228 Q229	D226-N228 PolarHBondContact O-N 2.93Å; D226-N228 VanDerWaalsContact O-N 3.17Å; D226-N228 WeakPolarHBondContact OD1-CA 3.44Å; D226-N228 WeakPolarHBondContact OD1-CB 3.37Å; D226-N228 PolarHBondContact OD1-N 3Å; D226-Q229 PolarHBondContact N-O 3.21Å; D226-Q229 PolarHBondContact OD1-N 2.83Å
227	S	85.3	Confident	90.1	Very high	30 Å²	30	67.4 Å²	67.4	21%	0.21	35%	0.349	C	S	.	.	S	Bend	trans	67.5	-13.9	-169.2	77.3	0	0	0	0	117.2	S225	S225-S227 PolarHBondContact OG-N 3.47Å; S225-S227 VanDerWaalsContact OG-N 3.17Å
228	N	85.1	Confident	89.7	Confident	90 Å²	90	68.2 Å²	68.2	48%	0.481	35%	0.349	S	S	.	.	S	Bend	trans	-91.8	-39.2	173.7	-59.3	-57.1	0	0	0	111.8	D226	D226-N228 PolarHBondContact O-N 2.93Å; D226-N228 VanDerWaalsContact O-N 3.17Å; D226-N228 WeakPolarHBondContact OD1-CA 3.44Å; D226-N228 WeakPolarHBondContact OD1-CB 3.37Å; D226-N228 PolarHBondContact OD1-N 3Å
229	Q	87.7	Confident	89.3	Confident	141 Å²	141	70.4 Å²	70.4	66%	0.659	36%	0.36	S	S	*	.			trans	-145.7	169.7	-180	60.8	-176.7	-10.8	0	0	110.7	S225 D226	S225-Q229 WeakPolarHBondContact CA-O 3.49Å; S225-Q229 VanDerWaalsContact CB-O 3.29Å; S225-Q229 WeakPolarHBondContact CB-O 3.47Å; S225-Q229 PolarHBondContact OG-O 3.24Å; D226-Q229 PolarHBondContact N-O 3.21Å; D226-Q229 PolarHBondContact OD1-N 2.83Å
230	F	92.6	Very high	89	Confident	82 Å²	82	71 Å²	71	36%	0.36	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.7	173.9	65.2	-92.5	0	0	0	111.6	V160 W223 E224 V232	V160-F230 HydrophobicContact CG1-CE2 4.48Å; V160-F230 HydrophobicContact CG1-CZ 4.42Å; V160-F230 HydrophobicContact CG2-CE2 4.41Å; W223-F230 AromaticContact CD1-CD2 3.83Å; W223-F230 HydrophobicContact CD2-CB 4.4Å; W223-F230 AromaticContact CE2-CG 3.88Å; W223-F230 HydrophobicContact CH2-CB 4.44Å; W223-F230 HydrophobicContact CZ2-CB 3.68Å; W223-F230 HydrophobicContact CZ2-CD1 4.38Å; W223-F230 HydrophobicContact CZ2-CG 4.02Å; W223-F230 AromaticContact NE1-CD2 3.27Å; W223-F230 VanDerWaalsContact NE1-CD2 3.27Å; W223-F230 AromaticContact NE1-CE2 3.88Å; W223-F230 AromaticContact NE1-CG 3.52Å; E224-F230 CarbonylContact O-C 3.54Å; E224-F230 VanDerWaalsContact O-CA 3.22Å; E224-F230 WeakPolarHBondContact O-CA 3.3Å; F230-V232 HydrophobicContact CD2-CG2 4.06Å; F230-V232 HydrophobicContact CE2-CG2 4.25Å
231	S	92.9	Very high	88.5	Confident	64 Å²	64	72.7 Å²	72.7	45%	0.448	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.4	172.8	59.7	0	0	0	0	109.8	W223 E224	W223-S231 WeakPolarHBondContact CA-O 3.18Å; E224-S231 PolarHBondContact N-O 2.63Å; E224-S231 PolarHBondContact O-N 2.9Å; E224-S231 PolarHBondContact O-OG 2.88Å
232	V	92.8	Very high	88.1	Confident	42 Å²	42	73.4 Å²	73.4	26%	0.255	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.6	175.7	-172	0	0	0	0	108.6	K156 L159 V160 H221 I222 W223 F230	K156-V232 HydrophobicContact CG-CG1 4.3Å; L159-V232 HydrophobicContact CD1-CG1 4.49Å; V160-V232 HydrophobicContact CG2-CG2 4.02Å; H221-V232 HydrophobicContact CB-CG1 4.46Å; I222-V232 WeakPolarHBondContact O-CA 3.21Å; W223-V232 HydrophobicContact CG-CG2 4.38Å; F230-V232 HydrophobicContact CD2-CG2 4.06Å; F230-V232 HydrophobicContact CE2-CG2 4.25Å
233	I	92.9	Very high	87.9	Confident	104 Å²	104	72 Å²	72	53%	0.533	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.7	-179.2	-165.4	167.8	0	0	0	110	H221 I222	H221-I233 CarbonylContact C-O 3.53Å; H221-I233 WeakPolarHBondContact CA-O 3.49Å; I222-I233 HydrophobicContact CB-CG2 3.97Å; I222-I233 PolarHBondContact N-O 3.48Å; I222-I233 PolarHBondContact O-N 2.87Å
234	E	90.9	Very high	87.8	Confident	104 Å²	104	71.8 Å²	71.8	49%	0.486	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	138.5	169.2	-76.9	137.4	-138.2	0	0	109.8	K156 H221 P236	K156-E234 IonicContact NZ-OE1 2.61Å; K156-E234 PolarHBondContact NZ-OE1 3.45Å; H221-E234 VanDerWaalsContact CE1-CD 3.42Å; H221-E234 WeakPolarHBondContact CE1-CG 3.29Å; H221-E234 IonicContact CE1-OE1 3.69Å; H221-E234 PolarHBondContact CE1-OE1 3.43Å; E234-P236 WeakPolarHBondContact O-CD 3.27Å
235	D	89.7	Confident	87.8	Confident	12 Å²	12	69 Å²	69	6%	0.064	36%	0.361	C	S	.	.			trans	-72.8	121.4	-176.4	-163.7	-36.3	0	0	0	110.9	T212 Q220 I222 R237 E238	T212-D235 WeakPolarHBondContact CG2-OD2 3.4Å; Q220-D235 HydrophobicContact CB-CB 4.02Å; Q220-D235 HydrophobicContact CG-CB 3.87Å; Q220-D235 PolarHBondContact NE2-OD2 3.26Å; Q220-D235 PolarHBondContact O-N 2.93Å; I222-D235 HydrophobicContact CD1-CB 4.16Å; I222-D235 HydrophobicContact CG1-CB 3.91Å; D235-R237 PolarHBondContact O-N 3.17Å; D235-R237 VanDerWaalsContact OD1-CB 3.31Å; D235-R237 WeakPolarHBondContact OD1-CB 3.37Å; D235-R237 WeakPolarHBondContact OD1-CG 3.32Å; D235-R237 PolarHBondContact OD1-N 3.38Å; D235-E238 PolarHBondContact O-N 3.31Å; D235-E238 VanDerWaalsContact O-N 3.17Å
236	P	87.4	Confident	87.9	Confident	118 Å²	118	69.5 Å²	69.5	77%	0.766	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-4.5	177.2	-21.9	34.5	0	0	0	115.1	E234	E234-P236 WeakPolarHBondContact O-CD 3.27Å
237	R	82	Confident	88.3	Confident	188 Å²	188	67.6 Å²	67.6	71%	0.709	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	5.9	179.3	-54.6	170.9	-177.4	165.6	3.1	113.5	D235 T240	D235-R237 PolarHBondContact O-N 3.17Å; D235-R237 VanDerWaalsContact OD1-CB 3.31Å; D235-R237 WeakPolarHBondContact OD1-CB 3.37Å; D235-R237 WeakPolarHBondContact OD1-CG 3.32Å; D235-R237 PolarHBondContact OD1-N 3.38Å; R237-T240 VanDerWaalsContact CB-OG1 3.29Å; R237-T240 WeakPolarHBondContact CB-OG1 2.98Å; R237-T240 PolarHBondContact O-OG1 3.31Å
238	E	78.6	Confident	88.6	Confident	160 Å²	160	66.9 Å²	66.9	75%	0.748	35%	0.348	S	S	*	.			trans	52.7	-139.6	-175.7	-57.3	-174.3	172.2	0	0	111.6	Q220 D235 T240	Q220-E238 WeakPolarHBondContact CB-O 3.47Å; Q220-E238 PolarHBondContact NE2-O 3.02Å; Q220-E238 PolarHBondContact OE1-O 2.96Å; D235-E238 PolarHBondContact O-N 3.31Å; D235-E238 VanDerWaalsContact O-N 3.17Å; E238-T240 PolarHBondContact O-N 3.47Å
239	D	80.1	Confident	88.7	Confident	90 Å²	90	62.6 Å²	62.6	48%	0.481	33%	0.325	S	S	.	.	S	Bend	trans	-83.9	78.6	-174	-158.8	-3.3	0	0	0	112.2	K214 G242	K214-D239 WeakPolarHBondContact CE-OD1 3.28Å; K214-D239 WeakPolarHBondContact CE-OD2 3.42Å; K214-D239 WeakPolarHBondContact CG-OD1 3.49Å; K214-D239 IonicContact NZ-OD2 2.65Å; D239-G242 WeakPolarHBondContact OD1-CA 3.41Å; D239-G242 PolarHBondContact OD1-N 3.46Å
240	T	84.1	Confident	88.6	Confident	87 Å²	87	61.3 Å²	61.3	53%	0.534	31%	0.314	S	S	.	.	S	Bend	trans	-83.7	-24	176.3	-51.1	0	0	0	0	112.4	R237 E238	R237-T240 VanDerWaalsContact CB-OG1 3.29Å; R237-T240 WeakPolarHBondContact CB-OG1 2.98Å; R237-T240 PolarHBondContact O-OG1 3.31Å; E238-T240 PolarHBondContact O-N 3.47Å
241	L	81.7	Confident	87.8	Confident	45 Å²	45	57.7 Å²	57.7	24%	0.236	30%	0.298	C	S	.	.	S	Bend	trans	-98	-24.8	-174.9	-62.7	-178.5	0	0	0	114	T212 K214 R243 T246	T212-L241 HydrophobicContact CG2-CD1 3.84Å; K214-L241 HydrophobicContact CB-CB 4.13Å; L241-R243 PolarHBondContact O-N 3.34Å; L241-T246 WeakPolarHBondContact CD2-OG1 3.36Å
242	G	85.2	Confident	86.2	Confident	20 Å²	20	57.4 Å²	57.4	21%	0.206	29%	0.293	C	S	.	.	S	Bend	trans	72.3	-60.3	-171.5	0	0	0	0	0	112.5	K214 D239	K214-G242 VanDerWaalsContact CG-O 3.29Å; K214-G242 WeakPolarHBondContact CG-O 3.36Å; D239-G242 WeakPolarHBondContact OD1-CA 3.41Å; D239-G242 PolarHBondContact OD1-N 3.46Å
243	R	89.8	Confident	84.5	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.008	32%	0.317	C	S	.	.	S	Bend	trans	-160.1	140.4	173.8	-166.4	-166.4	63	-119.3	-10	111.4	A125 L126 A128 N129 T150 G151 N216 L241	A125-R243 PolarHBondContact O-NH1 2.62Å; L126-R243 PolarHBondContact O-NH1 3.07Å; A128-R243 HydrophobicContact CB-CB 4.18Å; N129-R243 VanDerWaalsContact O-CZ 3.25Å; N129-R243 PolarHBondContact O-NH1 3.12Å; N129-R243 PolarHBondContact O-NH2 3.21Å; T150-R243 PolarHBondContact O-NE 3.09Å; T150-R243 PolarHBondContact O-NH2 2.84Å; G151-R243 WeakPolarHBondContact O-CD 3.44Å; G151-R243 VanDerWaalsContact O-CG 3.3Å; G151-R243 WeakPolarHBondContact O-CG 3.48Å; G151-R243 PolarHBondContact O-NE 2.9Å; N216-R243 WeakPolarHBondContact OD1-CD 3.48Å; N216-R243 VanDerWaalsContact OD1-CG 3.24Å; N216-R243 WeakPolarHBondContact OD1-CG 3.43Å; L241-R243 PolarHBondContact O-N 3.34Å
244	G	91.9	Very high	83.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.4	-152.1	173.2	0	0	0	0	0	112.8	D149 S213 K214	D149-G244 WeakPolarHBondContact O-CA 3.43Å; S213-G244 WeakPolarHBondContact CA-O 3.47Å; S213-G244 PolarHBondContact OG-O 3.06Å; K214-G244 PolarHBondContact N-O 3.08Å; K214-G244 PolarHBondContact O-N 3.39Å
245	T	94.3	Very high	82.1	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.037	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.9	-176.9	-48	0	0	0	0	112	T148 D149 M154 V211 T212 S213 I247	T148-T245 CarbonylContact C-O 3.57Å; T148-T245 WeakPolarHBondContact CA-O 3.43Å; D149-T245 PolarHBondContact N-O 2.86Å; D149-T245 PolarHBondContact O-N 3.15Å; D149-T245 PolarHBondContact OD1-N 2.87Å; D149-T245 WeakPolarHBondContact OD2-CB 3.38Å; M154-T245 HydrophobicContact CE-CG2 4.14Å; V211-T245 HydrophobicContact CG1-CG2 3.41Å; V211-T245 VanDerWaalsContact CG1-CG2 3.41Å; T212-T245 CarbonylContact O-C 3.52Å; T212-T245 WeakPolarHBondContact O-CA 3.42Å; T212-T245 WeakPolarHBondContact O-CG2 3.45Å; S213-T245 PolarHBondContact OG-OG1 2.89Å; T245-I247 HydrophobicContact CG2-CG1 4.1Å
246	T	94.7	Very high	81.3	Confident	19 Å²	19	67.6 Å²	67.6	12%	0.117	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.3	165.3	-64.8	0	0	0	0	109.7	T148 T212 L241	T148-T246 WeakPolarHBondContact CG2-OG1 3.26Å; T148-T246 PolarHBondContact OG1-OG1 3.4Å; T148-T246 VanDerWaalsContact OG1-OG1 3.13Å; T212-T246 PolarHBondContact N-O 2.72Å; T212-T246 PolarHBondContact O-N 2.96Å; L241-T246 WeakPolarHBondContact CD2-OG1 3.36Å
247	I	93.9	Very high	80.8	Confident	15 Å²	15	62 Å²	62	8%	0.077	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	115.5	172.5	-57.5	-179.7	0	0	0	107.7	L104 I147 F199 V209 V211 T245 L249	L104-I247 HydrophobicContact CD1-CG2 4.4Å; L104-I247 HydrophobicContact CD2-CD1 3.84Å; L104-I247 HydrophobicContact CD2-CG2 4.4Å; I147-I247 PolarHBondContact N-O 3.3Å; I147-I247 PolarHBondContact O-N 3.47Å; F199-I247 HydrophobicContact CE2-CD1 4.44Å; V209-I247 HydrophobicContact CG1-CG2 4.22Å; V211-I247 HydrophobicContact CG1-CG1 4.31Å; V211-I247 HydrophobicContact CG2-CG1 4.3Å; V211-I247 HydrophobicContact CG2-CG2 4.47Å; T245-I247 HydrophobicContact CG2-CG1 4.1Å; I247-L249 HydrophobicContact CG2-CD2 4Å
248	T	92.3	Very high	80.7	Confident	14 Å²	14	55.6 Å²	55.6	9%	0.086	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.4	176.5	-61.9	0	0	0	0	109.4	M144 H146 I210	M144-T248 HydrophobicContact CB-CG2 4.26Å; M144-T248 HydrophobicContact CG-CG2 4.3Å; M144-T248 HydrophobicContact SD-CG2 3.68Å; H146-T248 VanDerWaalsContact CE1-CG2 3.45Å; H146-T248 WeakPolarHBondContact CE1-CG2 2.94Å; H146-T248 WeakPolarHBondContact ND1-CG2 3.11Å; H146-T248 PolarHBondContact ND1-OG1 2.94Å; I210-T248 PolarHBondContact N-O 3.13Å; I210-T248 PolarHBondContact O-N 3.19Å
249	L	87.6	Confident	81	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.8	174.7	-56.1	-176.2	0	0	0	108.9	F100 L104 M144 L145 I147 A202 V205 A206 V209 I247 L251	F100-L249 HydrophobicContact CD2-CD1 3.6Å; F100-L249 HydrophobicContact CE2-CD1 3.48Å; F100-L249 VanDerWaalsContact CE2-CD1 3.48Å; L104-L249 HydrophobicContact CD1-CD1 3.89Å; L104-L249 HydrophobicContact CD1-CD2 4.2Å; L104-L249 HydrophobicContact CD1-CG 4.43Å; M144-L249 VanDerWaalsContact CA-O 3.25Å; M144-L249 WeakPolarHBondContact CA-O 3.35Å; L145-L249 HydrophobicContact CB-CB 4.35Å; L145-L249 HydrophobicContact CD2-CD1 4.44Å; L145-L249 PolarHBondContact N-O 3.28Å; L145-L249 PolarHBondContact O-N 3.24Å; I147-L249 HydrophobicContact CD1-CD1 4.35Å; A202-L249 HydrophobicContact CB-CD2 3.75Å; V205-L249 HydrophobicContact CG2-CD1 4.3Å; A206-L249 HydrophobicContact CB-CB 4.04Å; A206-L249 HydrophobicContact CB-CD2 4.2Å; V209-L249 HydrophobicContact CG1-CD2 4.21Å; V209-L249 HydrophobicContact CG2-CD2 3.96Å; I247-L249 HydrophobicContact CG2-CD2 4Å; L249-L251 HydrophobicContact CB-CD1 4.27Å; L249-L251 WeakPolarHBondContact O-CD1 3.41Å
250	R	84.6	Confident	81.3	Confident	115 Å²	115	50 Å²	50	43%	0.434	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.5	174	-177.4	177.2	174.7	166	1.3	109.7	A206 D207 K208 V252	A206-R250 WeakPolarHBondContact CA-O 3.28Å; D207-R250 PolarHBondContact N-O 3.1Å; K208-R250 HydrophobicContact CB-CB 4.35Å; K208-R250 PolarHBondContact O-N 2.81Å; R250-V252 HydrophobicContact CG-CB 4.1Å; R250-V252 HydrophobicContact CG-CG2 3.65Å
251	L	76	Confident	81.3	Confident	6 Å²	6	46.1 Å²	46.1	3%	0.031	24%	0.237	C	C	.	.			trans	-107.5	20.3	-170.6	-53.2	94.1	0	0	0	112.7	N143 L145 V205 L249 L253 K254 A257 L261	N143-L251 PolarHBondContact O-N 3.11Å; L145-L251 HydrophobicContact CB-CD1 4.19Å; V205-L251 HydrophobicContact CB-CD2 4.13Å; V205-L251 HydrophobicContact CG2-CD2 4.34Å; L249-L251 HydrophobicContact CB-CD1 4.27Å; L249-L251 WeakPolarHBondContact O-CD1 3.41Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.26Å; L251-K254 PolarHBondContact O-N 3.37Å; L251-A257 HydrophobicContact CD2-CB 3.82Å; L251-L261 HydrophobicContact CD1-CD2 4.11Å
252	V	60.3	Low	81.7	Confident	57 Å²	57	48 Å²	48	35%	0.345	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.9	-163.5	165.5	0	0	0	0	115.1	N143 D207 R250	N143-V252 HydrophobicContact CB-CG2 3.8Å; D207-V252 PolarHBondContact OD2-N 2.91Å; R250-V252 HydrophobicContact CG-CB 4.1Å; R250-V252 HydrophobicContact CG-CG2 3.65Å
253	L	57.6	Low	81.8	Confident	144 Å²	144	48.4 Å²	48.4	75%	0.754	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	2.6	179	-50.5	174.1	0	0	0	112.8	D207 L251	D207-L253 HydrophobicContact CB-CD1 4.49Å; D207-L253 WeakPolarHBondContact OD2-CA 3.43Å; D207-L253 WeakPolarHBondContact OD2-CB 3.4Å; D207-L253 PolarHBondContact OD2-N 2.89Å; L251-L253 VanDerWaalsContact C-N 3.31Å; L251-L253 PolarHBondContact O-N 3.26Å
254	K	68.3	Low	81.7	Confident	40 Å²	40	55.5 Å²	55.5	17%	0.174	28%	0.275	C	S	.	.			trans	-116.7	79.2	179.8	-76.2	168.3	178.8	-174.5	0	110.4	F203 L204 V205 A206 D207 L251 E256 A257	F203-K254 PolarHBondContact O-NZ 3.03Å; L204-K254 PolarHBondContact O-NZ 3.46Å; V205-K254 VanDerWaalsContact O-CD 3.27Å; V205-K254 WeakPolarHBondContact O-CD 3.47Å; A206-K254 PolarHBondContact O-NZ 2.76Å; D207-K254 WeakPolarHBondContact OD1-CD 3.22Å; D207-K254 WeakPolarHBondContact OD1-CE 3.23Å; D207-K254 WeakPolarHBondContact OD1-CG 3.45Å; L251-K254 PolarHBondContact O-N 3.37Å; K254-E256 HydrophobicContact CB-CG 4.41Å; K254-E256 PolarHBondContact O-N 2.85Å; K254-A257 HydrophobicContact CB-CB 3.94Å; K254-A257 WeakPolarHBondContact O-CA 3.2Å; K254-A257 WeakPolarHBondContact O-CB 3.35Å; K254-A257 PolarHBondContact O-N 2.68Å
255	E	64.9	Low	81.7	Confident	175 Å²	175	57.5 Å²	57.5	82%	0.818	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-54.7	-35.2	174.9	-62	-179.7	163.4	0	0	111.7	A257 S258	E255-A257 PolarHBondContact O-N 3Å; E255-A257 VanDerWaalsContact O-N 3.08Å; E255-S258 WeakPolarHBondContact O-CB 3.38Å; E255-S258 PolarHBondContact O-N 2.78Å; E255-S258 VanDerWaalsContact O-N 3.11Å; E255-S258 PolarHBondContact O-OG 2.79Å
256	E	71.3	Confident	81.4	Confident	117 Å²	117	57.3 Å²	57.3	55%	0.547	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.6	-4.7	172.3	58.4	151.3	-160.4	0	0	115.7	K97 K254	K97-E256 IonicContact NZ-OE1 2.65Å; K97-E256 PolarHBondContact NZ-OE1 2.82Å; K97-E256 IonicContact NZ-OE2 3.71Å; K97-E256 PolarHBondContact NZ-OE2 2.77Å; K254-E256 HydrophobicContact CB-CG 4.41Å; K254-E256 PolarHBondContact O-N 2.85Å
257	A	77.8	Confident	81.2	Confident	2 Å²	2	58.4 Å²	58.4	2%	0.017	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-112.3	3.2	176.5	0	0	0	0	0	112.9	V205 L251 K254 E255 D259 F260	V205-A257 HydrophobicContact CB-CB 4.09Å; L251-A257 HydrophobicContact CD2-CB 3.82Å; K254-A257 HydrophobicContact CB-CB 3.94Å; K254-A257 WeakPolarHBondContact O-CA 3.2Å; K254-A257 WeakPolarHBondContact O-CB 3.35Å; K254-A257 PolarHBondContact O-N 2.68Å; E255-A257 PolarHBondContact O-N 3Å; E255-A257 VanDerWaalsContact O-N 3.08Å; A257-D259 PolarHBondContact O-N 3.37Å; A257-F260 HydrophobicContact CB-CD2 4.05Å; A257-F260 HydrophobicContact CB-CE2 4.49Å; A257-F260 WeakPolarHBondContact O-CD2 3.49Å; A257-F260 PolarHBondContact O-N 2.64Å; A257-F260 VanDerWaalsContact O-N 3.1Å
258	S	80.3	Confident	81	Confident	53 Å²	53	62.4 Å²	62.4	37%	0.371	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-58.2	-32.8	177.6	-52.7	0	0	0	0	112.4	E255 F260 L261	E255-S258 WeakPolarHBondContact O-CB 3.38Å; E255-S258 PolarHBondContact O-N 2.78Å; E255-S258 VanDerWaalsContact O-N 3.11Å; E255-S258 PolarHBondContact O-OG 2.79Å; S258-F260 PolarHBondContact O-N 3.29Å; S258-F260 VanDerWaalsContact O-N 3.09Å; S258-L261 WeakPolarHBondContact O-CB 3.4Å; S258-L261 PolarHBondContact O-N 2.85Å
259	D	85.1	Confident	80.9	Confident	106 Å²	106	62.4 Å²	62.4	57%	0.567	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-54.2	-29.3	176.3	-62.4	-3.6	0	0	0	112.9	A257 L261 E262 T265	A257-D259 PolarHBondContact O-N 3.37Å; D259-L261 VanDerWaalsContact C-N 3.27Å; D259-L261 PolarHBondContact O-N 3.43Å; D259-E262 WeakPolarHBondContact O-CB 3.43Å; D259-E262 PolarHBondContact O-N 3.16Å; D259-T265 WeakPolarHBondContact O-CB 3.04Å; D259-T265 WeakPolarHBondContact O-CG2 3.23Å; D259-T265 PolarHBondContact O-OG1 2.69Å
260	F	85.1	Confident	81	Confident	25 Å²	25	62.4 Å²	62.4	11%	0.11	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-80	-4.4	178.4	-57.4	-66.2	0	0	0	113.9	E98 F100 V205 A257 S258 T265 I266 L269	E98-F260 HydrophobicContact CB-CE1 4.21Å; F100-F260 HydrophobicContact CE1-CB 4.32Å; F100-F260 AromaticContact CE1-CD1 3.69Å; F100-F260 HydrophobicContact CE1-CD1 3.69Å; F100-F260 HydrophobicContact CE1-CD2 4.3Å; F100-F260 HydrophobicContact CE1-CE1 4.03Å; F100-F260 AromaticContact CE1-CG 3.84Å; F100-F260 HydrophobicContact CE1-CG 3.84Å; F100-F260 HydrophobicContact CE1-CZ 4.48Å; F100-F260 HydrophobicContact CZ-CB 4.17Å; F100-F260 HydrophobicContact CZ-CD1 4.26Å; F100-F260 HydrophobicContact CZ-CG 4.2Å; V205-F260 HydrophobicContact CB-CD2 4.21Å; V205-F260 HydrophobicContact CB-CE2 4.48Å; V205-F260 HydrophobicContact CG1-CD2 3.65Å; V205-F260 HydrophobicContact CG1-CE2 3.5Å; V205-F260 HydrophobicContact CG1-CZ 4.25Å; A257-F260 HydrophobicContact CB-CD2 4.05Å; A257-F260 HydrophobicContact CB-CE2 4.49Å; A257-F260 WeakPolarHBondContact O-CD2 3.49Å; A257-F260 PolarHBondContact O-N 2.64Å; A257-F260 VanDerWaalsContact O-N 3.1Å; S258-F260 PolarHBondContact O-N 3.29Å; S258-F260 VanDerWaalsContact O-N 3.09Å; F260-T265 HydrophobicContact CD1-CG2 3.98Å; F260-T265 HydrophobicContact CE1-CG2 4.42Å; F260-I266 WeakPolarHBondContact O-CD1 3.4Å; F260-I266 WeakPolarHBondContact O-CG1 3.4Å; F260-L269 HydrophobicContact CD1-CD1 3.69Å; F260-L269 HydrophobicContact CE1-CD1 3.8Å
261	L	85.7	Confident	81.1	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-87.7	-12.7	167.1	-63.5	167.9	0	0	0	112.1	S138 K140 N143 M144 L145 L251 S258 D259	S138-L261 WeakPolarHBondContact OG-CA 3.4Å; S138-L261 PolarHBondContact OG-O 2.96Å; K140-L261 WeakPolarHBondContact CE-O 3.26Å; K140-L261 HydrophobicContact CG-CB 4.27Å; N143-L261 HydrophobicContact CB-CD1 4.14Å; N143-L261 VanDerWaalsContact OD1-CD1 3.28Å; N143-L261 WeakPolarHBondContact OD1-CD1 2.94Å; M144-L261 WeakPolarHBondContact O-CD2 3.4Å; L145-L261 HydrophobicContact CB-CD2 4.45Å; L251-L261 HydrophobicContact CD1-CD2 4.11Å; S258-L261 WeakPolarHBondContact O-CB 3.4Å; S258-L261 PolarHBondContact O-N 2.85Å; D259-L261 VanDerWaalsContact C-N 3.27Å; D259-L261 PolarHBondContact O-N 3.43Å
262	E	88.9	Confident	81.6	Confident	86 Å²	86	65 Å²	65	40%	0.402	32%	0.324	S	S	.	.	S	Bend	trans	-75.3	134	176.9	-70.5	-56.1	146	0	0	112.5	K140 D259 E264 T265 I266	K140-E262 WeakPolarHBondContact CE-OE1 3.28Å; K140-E262 IonicContact NZ-OE1 2.65Å; K140-E262 PolarHBondContact NZ-OE1 2.89Å; K140-E262 IonicContact NZ-OE2 3.6Å; K140-E262 PolarHBondContact NZ-OE2 3.46Å; D259-E262 WeakPolarHBondContact O-CB 3.43Å; D259-E262 PolarHBondContact O-N 3.16Å; E262-E264 VanDerWaalsContact C-N 3.34Å; E262-E264 PolarHBondContact O-N 2.89Å; E262-T265 WeakPolarHBondContact O-CB 3.28Å; E262-T265 PolarHBondContact O-N 3.19Å; E262-I266 WeakPolarHBondContact O-CG1 3.27Å; E262-I266 PolarHBondContact O-N 2.95Å
263	L	87	Confident	82.9	Confident	27 Å²	27	63 Å²	63	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-39.6	-174.9	-64.6	179.1	0	0	0	111.8	I266 K267 W284 W335	L263-I266 PolarHBondContact O-N 3.48Å; L263-K267 WeakPolarHBondContact O-CB 3.4Å; L263-K267 WeakPolarHBondContact O-CG 3.49Å; L263-K267 PolarHBondContact O-N 2.85Å; L263-W284 WeakPolarHBondContact CD2-O 3.21Å; L263-W335 HydrophobicContact CD1-CH2 4.12Å; L263-W335 HydrophobicContact CD1-CZ3 3.96Å
264	E	89.3	Confident	84.2	Confident	152 Å²	152	56.2 Å²	56.2	71%	0.71	28%	0.275	S	S	*	.	H	α-helix	trans	-65.7	-39.8	177.2	-62.4	-160.6	157.9	0	0	112.1	E262 K267 N268	E262-E264 VanDerWaalsContact C-N 3.34Å; E262-E264 PolarHBondContact O-N 2.89Å; E264-K267 PolarHBondContact O-N 2.7Å; E264-N268 VanDerWaalsContact O-CB 3.29Å; E264-N268 WeakPolarHBondContact O-CB 3.39Å; E264-N268 VanDerWaalsContact O-CG 3.26Å; E264-N268 PolarHBondContact O-N 2.72Å; E264-N268 PolarHBondContact O-ND2 3.23Å
265	T	89.9	Confident	84.9	Confident	42 Å²	42	55.7 Å²	55.7	26%	0.258	27%	0.273	S	S	.	.	H	α-helix	trans	-59.8	-52.5	174.5	-52	0	0	0	0	110.5	D259 F260 E262 K267 N268 L269	D259-T265 WeakPolarHBondContact O-CB 3.04Å; D259-T265 WeakPolarHBondContact O-CG2 3.23Å; D259-T265 PolarHBondContact O-OG1 2.69Å; F260-T265 HydrophobicContact CD1-CG2 3.98Å; F260-T265 HydrophobicContact CE1-CG2 4.42Å; E262-T265 WeakPolarHBondContact O-CB 3.28Å; E262-T265 PolarHBondContact O-N 3.19Å; T265-K267 VanDerWaalsContact C-N 3.34Å; T265-K267 PolarHBondContact O-N 3.34Å; T265-N268 PolarHBondContact O-N 3.45Å; T265-L269 HydrophobicContact CG2-CD1 3.98Å; T265-L269 HydrophobicContact CG2-CG 4.4Å; T265-L269 WeakPolarHBondContact O-CB 3.22Å; T265-L269 VanDerWaalsContact O-CG 3.25Å; T265-L269 WeakPolarHBondContact O-CG 3.49Å; T265-L269 PolarHBondContact O-N 3.3Å
266	I	89.4	Confident	85.8	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-48.3	177.7	-63.1	166.1	0	0	0	110.3	L101 I136 L145 F260 E262 L263 N268 L269 V270 V283	L101-I266 HydrophobicContact CD2-CG2 4.43Å; I136-I266 HydrophobicContact CG2-CG2 3.97Å; L145-I266 HydrophobicContact CD1-CD1 3.82Å; F260-I266 WeakPolarHBondContact O-CD1 3.4Å; F260-I266 WeakPolarHBondContact O-CG1 3.4Å; E262-I266 WeakPolarHBondContact O-CG1 3.27Å; E262-I266 PolarHBondContact O-N 2.95Å; L263-I266 PolarHBondContact O-N 3.48Å; I266-N268 PolarHBondContact O-N 3.14Å; I266-L269 PolarHBondContact O-N 3.03Å; I266-V270 HydrophobicContact CG2-CG2 4.46Å; I266-V270 WeakPolarHBondContact O-CG2 3.31Å; I266-V270 PolarHBondContact O-N 2.83Å; I266-V283 HydrophobicContact CG2-CG1 4.27Å; I266-V283 HydrophobicContact CG2-CG2 3.89Å
267	K	89.9	Confident	86.5	Confident	43 Å²	43	42.3 Å²	42.3	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-58.9	-44.2	179.4	-76.1	179.4	178.8	-159	0	112.5	L263 E264 T265 K271 V283 E338 M340	L263-K267 WeakPolarHBondContact O-CB 3.4Å; L263-K267 WeakPolarHBondContact O-CG 3.49Å; L263-K267 PolarHBondContact O-N 2.85Å; E264-K267 PolarHBondContact O-N 2.7Å; T265-K267 VanDerWaalsContact C-N 3.34Å; T265-K267 PolarHBondContact O-N 3.34Å; K267-K271 WeakPolarHBondContact O-CB 3.42Å; K267-K271 WeakPolarHBondContact O-CG 3.3Å; K267-K271 PolarHBondContact O-N 2.95Å; K267-K271 VanDerWaalsContact O-N 3.08Å; K267-V283 HydrophobicContact CG-CG1 4.41Å; K267-E338 VanDerWaalsContact CE-OE1 3.26Å; K267-E338 WeakPolarHBondContact CE-OE1 3.44Å; K267-E338 WeakPolarHBondContact CE-OE2 3.3Å; K267-E338 IonicContact NZ-OE1 2.89Å; K267-E338 PolarHBondContact NZ-OE1 2.91Å; K267-E338 IonicContact NZ-OE2 2.69Å; K267-E338 PolarHBondContact NZ-OE2 3.35Å; K267-M340 HydrophobicContact CB-CE 3.75Å; K267-M340 HydrophobicContact CB-SD 4.49Å; K267-M340 HydrophobicContact CG-CE 3.84Å; K267-M340 HydrophobicContact CG-SD 3.91Å; K267-M340 VanDerWaalsContact O-CE 3.28Å; K267-M340 WeakPolarHBondContact O-CE 3.36Å
268	N	89.8	Confident	86.8	Confident	99 Å²	99	45.7 Å²	45.7	53%	0.529	23%	0.228	S	C	.	.	H	α-helix	trans	-68	-38.3	178.7	-75.8	-39.6	0	0	0	112.1	E264 T265 I266 K271 K272	E264-N268 VanDerWaalsContact O-CB 3.29Å; E264-N268 WeakPolarHBondContact O-CB 3.39Å; E264-N268 VanDerWaalsContact O-CG 3.26Å; E264-N268 PolarHBondContact O-N 2.72Å; E264-N268 PolarHBondContact O-ND2 3.23Å; T265-N268 PolarHBondContact O-N 3.45Å; I266-N268 PolarHBondContact O-N 3.14Å; N268-K271 PolarHBondContact O-N 3.42Å; N268-K272 VanDerWaalsContact O-CB 3.24Å; N268-K272 WeakPolarHBondContact O-CB 3.29Å; N268-K272 PolarHBondContact O-N 2.85Å
269	L	90.1	Very high	87.2	Confident	14 Å²	14	43.7 Å²	43.7	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-67.5	-43.9	177.4	-69.3	177	0	0	0	112.8	E98 L101 F260 T265 I266 K271 K272 Y273	E98-L269 HydrophobicContact CB-CD1 4.49Å; E98-L269 HydrophobicContact CB-CD2 3.71Å; E98-L269 HydrophobicContact CG-CD2 4.34Å; E98-L269 WeakPolarHBondContact OE2-CD2 3.41Å; L101-L269 HydrophobicContact CD2-CB 3.87Å; L101-L269 HydrophobicContact CD2-CD1 4.38Å; F260-L269 HydrophobicContact CD1-CD1 3.69Å; F260-L269 HydrophobicContact CE1-CD1 3.8Å; T265-L269 HydrophobicContact CG2-CD1 3.98Å; T265-L269 HydrophobicContact CG2-CG 4.4Å; T265-L269 WeakPolarHBondContact O-CB 3.22Å; T265-L269 VanDerWaalsContact O-CG 3.25Å; T265-L269 WeakPolarHBondContact O-CG 3.49Å; T265-L269 PolarHBondContact O-N 3.3Å; I266-L269 PolarHBondContact O-N 3.03Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 3.36Å; L269-K272 PolarHBondContact O-N 3.01Å; L269-Y273 HydrophobicContact CD2-CE2 4.26Å; L269-Y273 PolarHBondContact O-N 3.36Å
270	V	89.7	Confident	87.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-44.4	174.5	178.4	0	0	0	0	110.3	L101 I105 I136 I266 K272 S274 Q275 I281 M340	L101-V270 HydrophobicContact CD2-CG2 3.97Å; I105-V270 HydrophobicContact CD1-CG2 3.97Å; I136-V270 HydrophobicContact CD1-CG2 3.84Å; I266-V270 HydrophobicContact CG2-CG2 4.46Å; I266-V270 WeakPolarHBondContact O-CG2 3.31Å; I266-V270 PolarHBondContact O-N 2.83Å; V270-K272 VanDerWaalsContact C-N 3.28Å; V270-K272 PolarHBondContact O-N 2.93Å; V270-S274 CarbonylContact O-C 3.56Å; V270-S274 WeakPolarHBondContact O-CA 3.27Å; V270-S274 PolarHBondContact O-N 2.98Å; V270-Q275 PolarHBondContact O-N 3.29Å; V270-I281 HydrophobicContact CG1-CB 4.4Å; V270-I281 HydrophobicContact CG1-CD1 4.14Å; V270-I281 HydrophobicContact CG1-CG2 3.86Å; V270-M340 HydrophobicContact CB-CB 4.41Å; V270-M340 HydrophobicContact CB-CE 4.31Å; V270-M340 HydrophobicContact CG1-CB 3.57Å; V270-M340 HydrophobicContact CG1-CG 4.12Å
271	K	87.3	Confident	87.9	Confident	88 Å²	88	39.7 Å²	39.7	38%	0.383	20%	0.195	S	C	.	.	H	α-helix	trans	-67.7	-21.5	175.9	-75.4	173.5	173.2	170.8	0	114.1	K267 N268 L269 M340	K267-K271 WeakPolarHBondContact O-CB 3.42Å; K267-K271 WeakPolarHBondContact O-CG 3.3Å; K267-K271 PolarHBondContact O-N 2.95Å; K267-K271 VanDerWaalsContact O-N 3.08Å; N268-K271 PolarHBondContact O-N 3.42Å; L269-K271 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 3.36Å; K271-M340 HydrophobicContact CD-CE 3.86Å; K271-M340 HydrophobicContact CG-CE 3.77Å
272	K	86.4	Confident	88.3	Confident	87 Å²	87	42.4 Å²	42.4	38%	0.378	21%	0.206	S	C	.	.	H	α-helix	trans	-83.1	-43.7	175.8	179.6	175.9	171.5	-173.2	0	112.6	E98 N268 L269 V270 F421	E98-K272 IonicContact OE1-NZ 3.64Å; E98-K272 PolarHBondContact OE1-NZ 3.46Å; E98-K272 IonicContact OE2-NZ 3.4Å; E98-K272 PolarHBondContact OE2-NZ 3.19Å; N268-K272 VanDerWaalsContact O-CB 3.24Å; N268-K272 WeakPolarHBondContact O-CB 3.29Å; N268-K272 PolarHBondContact O-N 2.85Å; L269-K272 PolarHBondContact O-N 3.01Å; V270-K272 VanDerWaalsContact C-N 3.28Å; V270-K272 PolarHBondContact O-N 2.93Å; K272-F421 HydrophobicContact CG-CD1 4.5Å; K272-F421 WeakPolarHBondContact O-CB 3.29Å
273	Y	86.3	Confident	88.4	Confident	16 Å²	16	38.4 Å²	38.4	6%	0.063	19%	0.187	C	C	.	.	H	α-helix	trans	-108.4	-29.8	-168.8	-72.1	-70.1	0	0	0	116	E98 R102 L269 F421	E98-Y273 HydrophobicContact CG-CE2 3.9Å; E98-Y273 PolarHBondContact OE1-OH 3.23Å; E98-Y273 VanDerWaalsContact OE1-OH 3.12Å; E98-Y273 WeakPolarHBondContact OE2-CE2 3.48Å; R102-Y273 HydrophobicContact CB-CD1 4.27Å; R102-Y273 HydrophobicContact CB-CG 4.01Å; R102-Y273 HydrophobicContact CG-CD1 4.17Å; R102-Y273 HydrophobicContact CG-CG 4.25Å; L269-Y273 HydrophobicContact CD2-CE2 4.26Å; L269-Y273 PolarHBondContact O-N 3.36Å; Y273-F421 HydrophobicContact CD1-CB 4.33Å; Y273-F421 AromaticContact CD1-CD1 3.82Å; Y273-F421 HydrophobicContact CD1-CD1 3.82Å; Y273-F421 AromaticContact CE1-CD1 3.84Å; Y273-F421 HydrophobicContact CE1-CD1 3.84Å; Y273-F421 HydrophobicContact CE1-CE1 4.41Å; Y273-F421 PolarHBondContact O-N 3.08Å
274	S	85.1	Confident	88.6	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	7.9	-163.5	-63.4	0	0	0	0	113.7	V270 F276 I277	V270-S274 CarbonylContact O-C 3.56Å; V270-S274 WeakPolarHBondContact O-CA 3.27Å; V270-S274 PolarHBondContact O-N 2.98Å; S274-F276 PolarHBondContact O-N 3.2Å; S274-I277 PolarHBondContact O-N 3.09Å
275	Q	82.9	Confident	88.5	Confident	29 Å²	29	32.9 Å²	32.9	14%	0.136	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-23.7	-176.5	-170.4	173.9	39.4	0	0	114.9	V270 N341 I343	V270-Q275 PolarHBondContact O-N 3.29Å; Q275-N341 WeakPolarHBondContact O-CB 3.38Å; Q275-I343 HydrophobicContact CG-CD1 4.23Å; Q275-I343 VanDerWaalsContact NE2-CD1 3.26Å
276	F	85	Confident	88.1	Confident	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	14.6	-173.4	-59.7	-62	0	0	0	114.2	S274 I343 P345 W347 F362 F366 F416 R419	S274-F276 PolarHBondContact O-N 3.2Å; F276-I343 HydrophobicContact CE1-CB 3.99Å; F276-I343 HydrophobicContact CE1-CG2 3.79Å; F276-P345 HydrophobicContact CB-CG 4.02Å; F276-P345 HydrophobicContact CD1-CG 4.24Å; F276-W347 HydrophobicContact CB-CH2 4.03Å; F276-W347 HydrophobicContact CB-CZ2 4.24Å; F276-W347 AromaticContact CD1-CH2 3.59Å; F276-W347 HydrophobicContact CD1-CH2 3.59Å; F276-W347 HydrophobicContact CD1-CZ3 4.12Å; F276-W347 AromaticContact CD2-CH2 3.68Å; F276-W347 HydrophobicContact CD2-CH2 3.68Å; F276-W347 HydrophobicContact CD2-CZ2 4.44Å; F276-W347 AromaticContact CE1-CH2 3.91Å; F276-W347 HydrophobicContact CE1-CH2 3.91Å; F276-W347 HydrophobicContact CE1-CZ3 4.08Å; F276-W347 AromaticContact CE2-CH2 3.99Å; F276-W347 HydrophobicContact CE2-CH2 3.99Å; F276-W347 AromaticContact CG-CH2 3.47Å; F276-W347 HydrophobicContact CG-CH2 3.47Å; F276-W347 VanDerWaalsContact CG-CH2 3.47Å; F276-W347 HydrophobicContact CG-CZ2 4.16Å; F276-W347 HydrophobicContact CG-CZ3 4.41Å; F276-W347 HydrophobicContact CZ-CH2 4.1Å; F276-W347 HydrophobicContact CZ-CZ3 4.32Å; F276-F362 AromaticContact CE1-CE2 3.84Å; F276-F362 HydrophobicContact CE1-CE2 3.84Å; F276-F362 HydrophobicContact CZ-CE2 4.03Å; F276-F362 HydrophobicContact CZ-CZ 4.29Å; F276-F366 HydrophobicContact CE2-CD2 4.49Å; F276-F366 HydrophobicContact CZ-CD2 4.19Å; F276-F416 HydrophobicContact CD2-CD1 4.27Å; F276-F416 AromaticContact CD2-CE1 3.57Å; F276-F416 HydrophobicContact CD2-CE1 3.57Å; F276-F416 HydrophobicContact CD2-CE2 4.42Å; F276-F416 AromaticContact CD2-CZ 3.67Å; F276-F416 HydrophobicContact CD2-CZ 3.67Å; F276-F416 HydrophobicContact CE2-CE1 4.04Å; F276-F416 HydrophobicContact CE2-CE2 4.33Å; F276-F416 AromaticContact CE2-CZ 3.64Å; F276-F416 HydrophobicContact CE2-CZ 3.64Å; F276-R419 HydrophobicContact CB-CB 4.26Å; F276-R419 WeakPolarHBondContact O-CB 3.37Å; F276-R419 WeakPolarHBondContact O-CD 3.3Å
277	I	85.5	Confident	87.3	Confident	9 Å²	9	39.4 Å²	39.4	5%	0.046	19%	0.19	C	C	.	.			trans	-67.2	142.7	170	-69.4	-179.7	0	0	0	109.3	I105 S274 F279 I281 N341	I105-I277 HydrophobicContact CG2-CD1 3.59Å; S274-I277 PolarHBondContact O-N 3.09Å; I277-F279 VanDerWaalsContact C-N 3.33Å; I277-F279 PolarHBondContact O-N 3.23Å; I277-I281 HydrophobicContact CB-CD1 4.24Å; I277-N341 PolarHBondContact O-ND2 3.1Å
278	N	83.8	Confident	86.3	Confident	73 Å²	73	41.4 Å²	41.4	39%	0.39	21%	0.206	S	C	.	.	S	Bend	trans	-72.6	-22.2	-165	-158.9	35.8	0	0	0	114.3
279	F	88.9	Confident	85.2	Confident	11 Å²	11	40.4 Å²	40.4	5%	0.048	20%	0.199	C	C	.	.	S	Bend	trans	-101.2	143.1	-176.3	-59	-77.6	0	0	0	111.3	L112 D113 L132 I277 I281 N341	L112-F279 HydrophobicContact CB-CD1 4.03Å; L112-F279 HydrophobicContact CB-CD2 3.73Å; L112-F279 HydrophobicContact CB-CE1 3.91Å; L112-F279 HydrophobicContact CB-CE2 3.6Å; L112-F279 HydrophobicContact CB-CG 3.95Å; L112-F279 HydrophobicContact CB-CZ 3.69Å; L112-F279 HydrophobicContact CD1-CB 3.77Å; L112-F279 HydrophobicContact CD1-CD1 4.25Å; L112-F279 HydrophobicContact CD1-CD2 3.95Å; L112-F279 HydrophobicContact CD1-CG 3.72Å; L112-F279 HydrophobicContact CG-CG 4.42Å; D113-F279 HydrophobicContact CB-CE2 4.49Å; D113-F279 WeakPolarHBondContact OD1-CE2 3.4Å; D113-F279 WeakPolarHBondContact OD1-CZ 3.27Å; L132-F279 HydrophobicContact CB-CD1 3.92Å; L132-F279 HydrophobicContact CB-CE1 4.13Å; L132-F279 HydrophobicContact CD1-CE1 4.1Å; I277-F279 VanDerWaalsContact C-N 3.33Å; I277-F279 PolarHBondContact O-N 3.23Å; F279-I281 PolarHBondContact O-N 3.39Å; F279-N341 PolarHBondContact O-ND2 2.69Å
280	P	91.7	Very high	83.9	Confident	47 Å²	47	44.3 Å²	44.3	31%	0.305	22%	0.223	S	C	.	.			trans	-55.4	125	176.4	-27.7	36.4	0	0	0	113	T133 I134 Y282 L339	T133-P280 HydrophobicContact CG2-CB 4.37Å; I134-P280 PolarHBondContact N-O 3.42Å; P280-Y282 HydrophobicContact CB-CD2 4.32Å; P280-Y282 HydrophobicContact CB-CE2 3.51Å; P280-L339 HydrophobicContact CB-CD1 3.87Å
281	I	92.8	Very high	82.7	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.8	173.9	-55.4	168.3	0	0	0	108.1	I105 I134 I136 V270 I277 F279 M340 N341	I105-I281 HydrophobicContact CG2-CD1 3.74Å; I105-I281 HydrophobicContact CG2-CG1 4.38Å; I134-I281 HydrophobicContact CB-CG1 4.28Å; I134-I281 HydrophobicContact CD1-CG1 4.3Å; I134-I281 CarbonylContact O-C 3.59Å; I134-I281 WeakPolarHBondContact O-CA 3.43Å; I136-I281 HydrophobicContact CD1-CG2 3.78Å; V270-I281 HydrophobicContact CG1-CB 4.4Å; V270-I281 HydrophobicContact CG1-CD1 4.14Å; V270-I281 HydrophobicContact CG1-CG2 3.86Å; I277-I281 HydrophobicContact CB-CD1 4.24Å; F279-I281 PolarHBondContact O-N 3.39Å; I281-M340 HydrophobicContact CB-CB 4.39Å; I281-M340 HydrophobicContact CG2-CB 4.42Å; I281-M340 WeakPolarHBondContact O-CB 3.35Å; I281-M340 PolarHBondContact O-N 3.39Å; I281-N341 PolarHBondContact N-OD1 2.74Å
282	Y	93.8	Very high	81.2	Confident	63 Å²	63	47.6 Å²	47.6	25%	0.247	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.4	177.3	-59.4	-85.4	0	0	0	111.6	T133 I134 K135 I136 P280 W337 E338 L339	T133-Y282 HydrophobicContact CG2-CE2 3.82Å; I134-Y282 PolarHBondContact O-N 3.49Å; K135-Y282 HydrophobicContact CG-CD2 4.11Å; I136-Y282 PolarHBondContact N-O 3.2Å; P280-Y282 HydrophobicContact CB-CD2 4.32Å; P280-Y282 HydrophobicContact CB-CE2 3.51Å; Y282-W337 HydrophobicContact CD1-CB 3.95Å; Y282-W337 HydrophobicContact CG-CB 4.18Å; Y282-E338 CarbonylContact C-O 3.46Å; Y282-E338 VanDerWaalsContact CA-O 3.29Å; Y282-E338 WeakPolarHBondContact CA-O 3.48Å; Y282-L339 HydrophobicContact CD1-CB 4.19Å; Y282-L339 HydrophobicContact CD1-CD1 4.34Å; Y282-L339 HydrophobicContact CE1-CB 4.02Å; Y282-L339 HydrophobicContact CE1-CD1 3.98Å
283	V	92.8	Very high	79.9	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.1	170	170.3	0	0	0	0	109	I136 I266 K267 A285 E338 M340	I136-V283 HydrophobicContact CB-CG2 4.22Å; I136-V283 HydrophobicContact CD1-CG2 4.39Å; I136-V283 WeakPolarHBondContact O-CA 3.44Å; I266-V283 HydrophobicContact CG2-CG1 4.27Å; I266-V283 HydrophobicContact CG2-CG2 3.89Å; K267-V283 HydrophobicContact CG-CG1 4.41Å; V283-A285 PolarHBondContact O-N 3.03Å; V283-A285 VanDerWaalsContact O-N 3.13Å; V283-E338 PolarHBondContact N-O 3.34Å; V283-E338 PolarHBondContact O-N 3.28Å; V283-M340 HydrophobicContact CB-CG 4.07Å; V283-M340 HydrophobicContact CB-SD 4.07Å; V283-M340 HydrophobicContact CG2-CG 3.55Å; V283-M340 HydrophobicContact CG2-SD 3.93Å
284	W	91	Very high	78.1	Confident	58 Å²	58	50.3 Å²	50.3	22%	0.22	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	106.7	173.5	-172.4	-107	0	0	0	109.7	I136 K137 L263 W335 W337	I136-W284 PolarHBondContact O-N 2.93Å; K137-W284 HydrophobicContact CB-CB 3.99Å; K137-W284 HydrophobicContact CD-CB 4.43Å; K137-W284 HydrophobicContact CD-CG 4.15Å; K137-W284 HydrophobicContact CG-CB 3.96Å; K137-W284 HydrophobicContact CG-CG 4.07Å; L263-W284 WeakPolarHBondContact CD2-O 3.21Å; W284-W335 AromaticContact CD1-CE3 3.5Å; W284-W335 AromaticContact CD1-CZ3 3.91Å; W284-W335 HydrophobicContact CG-CE3 4.36Å; W284-W335 HydrophobicContact CH2-CB 4.08Å; W284-W335 VanDerWaalsContact CH2-O 3.3Å; W284-W335 WeakPolarHBondContact CH2-O 3.46Å; W284-W335 HydrophobicContact CZ2-CB 3.41Å; W284-W335 VanDerWaalsContact CZ2-CB 3.41Å; W284-W335 HydrophobicContact CZ2-CG 4.42Å; W284-W335 AromaticContact NE1-CD2 3.88Å; W284-W335 AromaticContact NE1-CE3 3.39Å; W284-W337 HydrophobicContact CB-CE3 4.14Å; W284-W337 HydrophobicContact CB-CH2 4.15Å; W284-W337 HydrophobicContact CB-CZ3 3.82Å; W284-W337 AromaticContact CE3-CD1 3.93Å; W284-W337 AromaticContact CE3-CD2 3.68Å; W284-W337 HydrophobicContact CE3-CD2 3.68Å; W284-W337 AromaticContact CE3-CE2 3.5Å; W284-W337 HydrophobicContact CE3-CE3 4.19Å; W284-W337 AromaticContact CE3-CG 3.99Å; W284-W337 HydrophobicContact CE3-CG 3.99Å; W284-W337 HydrophobicContact CE3-CH2 4.41Å; W284-W337 AromaticContact CE3-CZ2 3.91Å; W284-W337 HydrophobicContact CE3-CZ2 3.91Å; W284-W337 AromaticContact CE3-NE1 3.66Å; W284-W337 AromaticContact CZ3-CD1 3.74Å; W284-W337 HydrophobicContact CZ3-CD2 4.28Å; W284-W337 AromaticContact CZ3-CE2 3.9Å; W284-W337 HydrophobicContact CZ3-CG 4.21Å; W284-W337 AromaticContact CZ3-NE1 3.55Å
285	A	85.4	Confident	76.1	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.041	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145.7	-169.5	0	0	0	0	0	112.1	V283 W335 D336 E338	V283-A285 PolarHBondContact O-N 3.03Å; V283-A285 VanDerWaalsContact O-N 3.13Å; A285-W335 WeakPolarHBondContact O-CA 3.29Å; A285-D336 PolarHBondContact N-O 2.89Å; A285-D336 PolarHBondContact O-N 2.88Å; A285-E338 HydrophobicContact CB-CB 4.06Å
286	S	82.1	Confident	74.2	Confident	53 Å²	53	60.6 Å²	60.6	37%	0.371	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.1	171.5	52.9	0	0	0	0	111.1	V334	S286-V334 CarbonylContact C-O 3.58Å; S286-V334 WeakPolarHBondContact CA-O 3.43Å
287	K	72.3	Confident	72.2	Confident	128 Å²	128	68.1 Å²	68.1	56%	0.557	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.8	173.6	-175.1	-171.4	178.8	-163.1	0	109.1	E289 V334	K287-E289 HydrophobicContact CD-CG 4.11Å; K287-E289 WeakPolarHBondContact CE-OE1 3.33Å; K287-E289 HydrophobicContact CG-CG 4.21Å; K287-E289 IonicContact NZ-OE1 3.08Å; K287-E289 PolarHBondContact NZ-OE1 3Å; K287-E289 PolarHBondContact O-N 2.65Å; K287-V334 PolarHBondContact N-O 2.88Å; K287-V334 PolarHBondContact O-N 3.08Å
288	T	70.6	Confident	70.2	Confident	85 Å²	85	75.5 Å²	75.5	52%	0.521	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119.7	173.6	-47.3	0	0	0	0	109.2	E331	T288-E331 HydrophobicContact CG2-CB 3.73Å; T288-E331 HydrophobicContact CG2-CG 3.96Å
289	E	66.6	Low	67.8	Low	79 Å²	79	76.5 Å²	76.5	37%	0.369	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	135.7	172.9	-59.5	-159.8	142.9	0	0	109.9	K287 V291 K332 V334	K287-E289 HydrophobicContact CD-CG 4.11Å; K287-E289 WeakPolarHBondContact CE-OE1 3.33Å; K287-E289 HydrophobicContact CG-CG 4.21Å; K287-E289 IonicContact NZ-OE1 3.08Å; K287-E289 PolarHBondContact NZ-OE1 3Å; K287-E289 PolarHBondContact O-N 2.65Å; E289-V291 PolarHBondContact O-N 2.95Å; E289-K332 PolarHBondContact N-O 2.98Å; E289-K332 PolarHBondContact O-N 3.05Å; E289-V334 HydrophobicContact CB-CG2 4.41Å; E289-V334 HydrophobicContact CG-CG2 4.39Å
290	T	62.2	Low	65.2	Low	96 Å²	96	85.7 Å²	85.7	59%	0.589	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	101	176.8	9	0	0	0	0	109	K329 E331	T290-K329 HydrophobicContact CG2-CB 4.42Å; T290-E331 HydrophobicContact CG2-CG 3.82Å
291	V	64.8	Low	62.5	Low	55 Å²	55	88.1 Å²	88.1	33%	0.333	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.4	176.4	-178	0	0	0	0	108.7	E289 E293 V330 K332	E289-V291 PolarHBondContact O-N 2.95Å; V291-E293 HydrophobicContact CG1-CG 4.18Å; V291-E293 PolarHBondContact O-N 3.3Å; V291-V330 PolarHBondContact N-O 3.13Å; V291-V330 PolarHBondContact O-N 2.7Å; V291-K332 HydrophobicContact CB-CD 4.32Å; V291-K332 HydrophobicContact CB-CG 4.5Å; V291-K332 HydrophobicContact CG2-CB 4.17Å; V291-K332 HydrophobicContact CG2-CD 4.21Å; V291-K332 HydrophobicContact CG2-CG 4.34Å
292	E	55.9	Low	59.6	Low	102 Å²	102	97.4 Å²	97.4	48%	0.477	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	104	171	-84.9	-170.3	-152.5	0	0	109.5	T327 K329	E292-T327 HydrophobicContact CB-CG2 4.04Å; E292-T327 WeakPolarHBondContact OE2-CB 3.28Å; E292-T327 PolarHBondContact OE2-OG1 3.39Å; E292-K329 HydrophobicContact CG-CG 3.69Å; E292-K329 WeakPolarHBondContact OE1-CE 3.5Å; E292-K329 IonicContact OE1-NZ 3.92Å
293	E	57.7	Low	56.8	Low	72 Å²	72	103.3 Å²	103.3	34%	0.336	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.7	135	175.3	-62.6	-163.5	102.1	0	0	110.4	V291 T327 K328 V330 K332	V291-E293 HydrophobicContact CG1-CG 4.18Å; V291-E293 PolarHBondContact O-N 3.3Å; E293-T327 CarbonylContact O-C 3.59Å; E293-T327 VanDerWaalsContact O-CA 3.27Å; E293-T327 WeakPolarHBondContact O-CA 3.39Å; E293-K328 PolarHBondContact N-O 3.13Å; E293-K328 PolarHBondContact O-N 2.72Å; E293-V330 HydrophobicContact CG-CG2 4.48Å; E293-K332 VanDerWaalsContact CD-CE 3.41Å; E293-K332 IonicContact OE1-NZ 3.65Å; E293-K332 PolarHBondContact OE1-NZ 3.24Å; E293-K332 WeakPolarHBondContact OE2-CE 3.4Å; E293-K332 IonicContact OE2-NZ 3.9Å; E293-K332 PolarHBondContact OE2-NZ 2.88Å
294	P	48.9	Very low	53.9	Low	87 Å²	87	108.8 Å²	108.8	57%	0.565	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-65.9	143.4	168.9	30.6	-34	0	0	0	109.8	P325	P294-P325 HydrophobicContact CB-CB 4.3Å; P294-P325 HydrophobicContact CB-CG 4.39Å
295	I	44	Very low	51.1	Low	96 Å²	96	115.4 Å²	115.4	49%	0.492	63%	0.628	S	S	.	*	P	Polyproline II helix	trans	-75.7	134.7	168.3	-61	167.7	0	0	0	108.1	K326 K328	I295-K326 HydrophobicContact CD1-CB 4.34Å; I295-K326 PolarHBondContact N-O 3.41Å; I295-K328 HydrophobicContact CG1-CB 4.42Å
296	D	42.3	Very low	48.5	Very low	150 Å²	150	124.5 Å²	124.5	80%	0.802	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-93.6	129.8	172.3	-142.3	-6.1	0	0	0	108.2	D298	D296-D298 PolarHBondContact O-N 3.25Å
297	D	43.6	Very low	46.1	Very low	159 Å²	159	131.5 Å²	131.5	85%	0.85	69%	0.694	S	S	*	*	S	Bend	trans	-81.8	37.7	-164.3	-81.5	-37.9	0	0	0	114.2
298	D	42.2	Very low	44.1	Very low	165 Å²	165	131.8 Å²	131.8	88%	0.882	71%	0.706	S	S	*	*			trans	-126.6	66.3	179.3	-105	-37	0	0	0	111.9	D296	D296-D298 PolarHBondContact O-N 3.25Å
299	A	33.5	Very low	42.2	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	72%	0.722	S	S	*	*	S	Bend	trans	-142	126.4	163.6	0	0	0	0	0	109.9
300	E	34.4	Very low	40.5	Very low	205 Å²	205	138.8 Å²	138.8	96%	0.958	75%	0.746	S	S	*	*			trans	-62.9	143.6	-175.2	-67.2	178.6	115.9	0	0	112.3
301	A	35.4	Very low	39	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	76%	0.761	S	S	*	*			trans	-84.2	128	-178	0	0	0	0	0	112
302	E	31.6	Very low	37.4	Very low	195 Å²	195	148.4 Å²	148.4	91%	0.911	79%	0.786	S	S	*	*			trans	-117.1	141.4	151.5	-70.6	-165.1	141.7	0	0	109
303	E	34.9	Very low	36.2	Very low	186 Å²	186	148.6 Å²	148.6	87%	0.869	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-89.2	146.1	-163	-56.9	-179.8	133.1	0	0	113.4
304	P	33.2	Very low	35	Very low	118 Å²	118	154.1 Å²	154.1	77%	0.766	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-99.5	125.9	149.9	33.2	-26.1	0	0	0	110.4
305	E	31.5	Very low	34.1	Very low	196 Å²	196	156.8 Å²	156.8	92%	0.916	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-59.3	143.5	176.8	-62.5	177.5	126.7	0	0	111.9
306	K	31.4	Very low	33.5	Very low	197 Å²	197	161 Å²	161	86%	0.857	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-103.7	120.4	170.1	-74.1	-173.9	177	-178.9	0	110.5
307	E	30.4	Very low	32.9	Very low	200 Å²	200	163.1 Å²	163.1	94%	0.935	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-76	158.1	153.4	-73.8	-161.5	132.6	0	0	111
308	T	31.2	Very low	32.5	Very low	134 Å²	134	165.2 Å²	165.2	82%	0.822	87%	0.873	S	S	*	*			trans	-107.7	141.9	-160.5	52.8	0	0	0	0	114
309	S	29.7	Very low	32	Very low	122 Å²	122	166.5 Å²	166.5	85%	0.853	87%	0.873	S	S	*	*			trans	-152.4	127.2	133.8	62.7	0	0	0	0	110.6
310	E	31	Very low	32.4	Very low	189 Å²	189	172 Å²	172	88%	0.883	88%	0.883	S	S	*	*			trans	-96.2	153	169.5	-61.7	173.4	130.8	0	0	109.3
311	D	31.4	Very low	32.2	Very low	166 Å²	166	167 Å²	167	89%	0.888	88%	0.878	S	S	*	*			trans	-158.7	156	142.1	-117.6	-29.3	0	0	0	109.9
312	E	31.7	Very low	32.3	Very low	187 Å²	187	171.3 Å²	171.3	87%	0.874	88%	0.878	S	S	*	*			trans	-88.1	151.1	-155.8	-54	175.3	139	0	0	115.9
313	A	30.9	Very low	32.9	Very low	105 Å²	105	169.3 Å²	169.3	87%	0.868	87%	0.874	S	S	*	*				172.1	135	115.3	0	0	0	0	0	113.2
314	E	31.7	Very low	33.1	Very low	189 Å²	189	170 Å²	170	88%	0.883	87%	0.874	S	S	*	*			trans	-91.2	143.6	175.3	-56.7	170.1	126.8	0	0	112.7
315	V	30.2	Very low	33.6	Very low	143 Å²	143	168.7 Å²	168.7	87%	0.867	87%	0.865	S	S	*	*			trans	-149.1	133.7	132.1	-175.7	0	0	0	0	108
316	E	32.1	Very low	34.2	Very low	183 Å²	183	167.9 Å²	167.9	86%	0.855	86%	0.858	S	S	*	*			trans	-87.4	137.7	173.9	-58.4	176.1	121.4	0	0	112
317	E	28.5	Very low	35.1	Very low	196 Å²	196	161.6 Å²	161.6	92%	0.916	84%	0.837	S	S	*	*			trans	-137.1	144.9	147.6	-74.2	-162.6	144.7	0	0	108.8
318	E	36.7	Very low	36.4	Very low	202 Å²	202	158.6 Å²	158.6	94%	0.944	82%	0.82	S	S	*	*			trans	-84.5	128.4	-169.8	-60	174.7	109.1	0	0	113.1
319	E	31.3	Very low	37.7	Very low	192 Å²	192	159.1 Å²	159.1	90%	0.897	81%	0.812	S	S	*	*			trans	-133.6	146.1	158.1	-79.8	-154.8	142.6	0	0	112.2	A321	E319-A321 PolarHBondContact O-N 3.27Å
320	E	40.9	Very low	39.5	Very low	208 Å²	208	155.4 Å²	155.4	97%	0.972	78%	0.784	S	S	*	*			trans	-75.3	101.3	-176.2	-66.4	-170.9	109.9	0	0	112.8
321	A	31.3	Very low	41.3	Very low	102 Å²	102	153.5 Å²	153.5	84%	0.843	78%	0.775	S	S	*	*			trans	-115.9	90.3	173	0	0	0	0	0	112.2	E319	E319-A321 PolarHBondContact O-N 3.27Å
322	K	37.4	Very low	43.3	Very low	187 Å²	187	149.4 Å²	149.4	81%	0.813	75%	0.749	S	S	*	*			trans	-97.2	134.8	167.9	-82.3	-175	175.2	174.9	0	112.3
323	D	43.8	Very low	45.5	Very low	154 Å²	154	144.3 Å²	144.3	82%	0.824	73%	0.731	S	S	*	*			trans	39.7	88.9	154.6	-54	-38.6	0	0	0	117.3
324	K	38.3	Very low	48	Very low	200 Å²	200	142.3 Å²	142.3	87%	0.87	71%	0.707	S	S	*	*			trans	-117.7	123.1	146.9	-75	-174.2	177.7	178	0	109
325	P	43.9	Very low	50.5	Low	91 Å²	91	139 Å²	139	59%	0.591	69%	0.687	S	S	*	*			trans	-65	149.7	175.1	28.4	-34.4	0	0	0	110.3	P294 T327	P294-P325 HydrophobicContact CB-CB 4.3Å; P294-P325 HydrophobicContact CB-CG 4.39Å; P325-T327 PolarHBondContact O-N 2.94Å
326	K	44.3	Very low	53.4	Low	178 Å²	178	137.3 Å²	137.3	77%	0.774	67%	0.673	S	S	*	*			trans	-69.5	112.5	174.7	-71.3	175.1	-177.8	167.2	0	109.2	I295	I295-K326 HydrophobicContact CD1-CB 4.34Å; I295-K326 PolarHBondContact N-O 3.41Å
327	T	50.2	Low	56.2	Low	65 Å²	65	132.6 Å²	132.6	40%	0.399	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.4	138.8	174.1	48.6	0	0	0	0	111.4	E292 E293 P325	E292-T327 HydrophobicContact CB-CG2 4.04Å; E292-T327 WeakPolarHBondContact OE2-CB 3.28Å; E292-T327 PolarHBondContact OE2-OG1 3.39Å; E293-T327 CarbonylContact O-C 3.59Å; E293-T327 VanDerWaalsContact O-CA 3.27Å; E293-T327 WeakPolarHBondContact O-CA 3.39Å; P325-T327 PolarHBondContact O-N 2.94Å
328	K	57	Low	59.1	Low	137 Å²	137	126.6 Å²	126.6	60%	0.596	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.3	130.3	168	-171.7	175.2	-178.3	178.7	0	108.5	E293 I295 V330	E293-K328 PolarHBondContact N-O 3.13Å; E293-K328 PolarHBondContact O-N 2.72Å; I295-K328 HydrophobicContact CG1-CB 4.42Å; K328-V330 HydrophobicContact CG-CG2 4.37Å; K328-V330 PolarHBondContact O-N 2.97Å
329	K	59.3	Low	61.7	Low	146 Å²	146	120.6 Å²	120.6	64%	0.635	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-73.9	114	171.9	-71.6	179.6	176.8	-178.7	0	108.9	T290 E292	T290-K329 HydrophobicContact CG2-CB 4.42Å; E292-K329 HydrophobicContact CG-CG 3.69Å; E292-K329 WeakPolarHBondContact OE1-CE 3.5Å; E292-K329 IonicContact OE1-NZ 3.92Å
330	V	68.3	Low	64.3	Low	44 Å²	44	111.5 Å²	111.5	27%	0.267	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.3	122.9	177.6	-178.1	0	0	0	0	107.9	V291 E293 K328 K332	V291-V330 PolarHBondContact N-O 3.13Å; V291-V330 PolarHBondContact O-N 2.7Å; E293-V330 HydrophobicContact CG-CG2 4.48Å; K328-V330 HydrophobicContact CG-CG2 4.37Å; K328-V330 PolarHBondContact O-N 2.97Å; V330-K332 HydrophobicContact CG1-CG 4.18Å; V330-K332 PolarHBondContact O-N 3.3Å
331	E	68.8	Low	66.4	Low	149 Å²	149	102.5 Å²	102.5	70%	0.696	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.3	171.7	-76.5	-179.4	-170	0	0	109.5	T288 T290	T288-E331 HydrophobicContact CG2-CB 3.73Å; T288-E331 HydrophobicContact CG2-CG 3.96Å; T290-E331 HydrophobicContact CG2-CG 3.82Å
332	K	72.6	Confident	68.5	Low	79 Å²	79	102 Å²	102	34%	0.343	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129	175.9	-68.2	-166.9	176.8	-174.9	0	110.3	E289 V291 E293 V330 V334	E289-K332 PolarHBondContact N-O 2.98Å; E289-K332 PolarHBondContact O-N 3.05Å; V291-K332 HydrophobicContact CB-CD 4.32Å; V291-K332 HydrophobicContact CB-CG 4.5Å; V291-K332 HydrophobicContact CG2-CB 4.17Å; V291-K332 HydrophobicContact CG2-CD 4.21Å; V291-K332 HydrophobicContact CG2-CG 4.34Å; E293-K332 VanDerWaalsContact CD-CE 3.41Å; E293-K332 IonicContact OE1-NZ 3.65Å; E293-K332 PolarHBondContact OE1-NZ 3.24Å; E293-K332 WeakPolarHBondContact OE2-CE 3.4Å; E293-K332 IonicContact OE2-NZ 3.9Å; E293-K332 PolarHBondContact OE2-NZ 2.88Å; V330-K332 HydrophobicContact CG1-CG 4.18Å; V330-K332 PolarHBondContact O-N 3.3Å; K332-V334 PolarHBondContact O-N 2.9Å
333	T	78.9	Confident	70.4	Confident	81 Å²	81	93.9 Å²	93.9	50%	0.497	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	96.5	175	-50.8	0	0	0	0	109.7
334	V	82.8	Confident	72.2	Confident	62 Å²	62	94.2 Å²	94.2	38%	0.376	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	144.8	170.7	-175.4	0	0	0	0	108.4	S286 K287 E289 K332	S286-V334 CarbonylContact C-O 3.58Å; S286-V334 WeakPolarHBondContact CA-O 3.43Å; K287-V334 PolarHBondContact N-O 2.88Å; K287-V334 PolarHBondContact O-N 3.08Å; E289-V334 HydrophobicContact CB-CG2 4.41Å; E289-V334 HydrophobicContact CG-CG2 4.39Å; K332-V334 PolarHBondContact O-N 2.9Å
335	W	84.1	Confident	74.4	Confident	119 Å²	119	85.9 Å²	85.9	45%	0.451	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129.1	174.2	-71.6	81.8	0	0	0	109.8	L263 W284 A285	L263-W335 HydrophobicContact CD1-CH2 4.12Å; L263-W335 HydrophobicContact CD1-CZ3 3.96Å; W284-W335 AromaticContact CD1-CE3 3.5Å; W284-W335 AromaticContact CD1-CZ3 3.91Å; W284-W335 HydrophobicContact CG-CE3 4.36Å; W284-W335 HydrophobicContact CH2-CB 4.08Å; W284-W335 VanDerWaalsContact CH2-O 3.3Å; W284-W335 WeakPolarHBondContact CH2-O 3.46Å; W284-W335 HydrophobicContact CZ2-CB 3.41Å; W284-W335 VanDerWaalsContact CZ2-CB 3.41Å; W284-W335 HydrophobicContact CZ2-CG 4.42Å; W284-W335 AromaticContact NE1-CD2 3.88Å; W284-W335 AromaticContact NE1-CE3 3.39Å; A285-W335 WeakPolarHBondContact O-CA 3.29Å
336	D	90.1	Very high	76.6	Confident	108 Å²	108	81.9 Å²	81.9	58%	0.578	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.8	175.3	-177.9	-162.5	12.2	0	0	0	111.9	A285 E338	A285-D336 PolarHBondContact N-O 2.89Å; A285-D336 PolarHBondContact O-N 2.88Å; D336-E338 PolarHBondContact O-N 2.84Å
337	W	91.2	Very high	78.7	Confident	84 Å²	84	73.4 Å²	73.4	32%	0.318	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96.3	-179.4	-69.6	107.9	0	0	0	112.2	K135 I136 K137 Y282 W284	K135-W337 HydrophobicContact CB-CE3 4.26Å; K135-W337 HydrophobicContact CB-CH2 3.8Å; K135-W337 HydrophobicContact CB-CZ2 4.41Å; K135-W337 HydrophobicContact CB-CZ3 3.71Å; K135-W337 HydrophobicContact CG-CE3 4.28Å; K135-W337 HydrophobicContact CG-CH2 4.43Å; K135-W337 HydrophobicContact CG-CZ3 4.23Å; I136-W337 WeakPolarHBondContact O-CZ3 3.46Å; K137-W337 HydrophobicContact CB-CH2 4.22Å; Y282-W337 HydrophobicContact CD1-CB 3.95Å; Y282-W337 HydrophobicContact CG-CB 4.18Å; W284-W337 HydrophobicContact CB-CE3 4.14Å; W284-W337 HydrophobicContact CB-CH2 4.15Å; W284-W337 HydrophobicContact CB-CZ3 3.82Å; W284-W337 AromaticContact CE3-CD1 3.93Å; W284-W337 AromaticContact CE3-CD2 3.68Å; W284-W337 HydrophobicContact CE3-CD2 3.68Å; W284-W337 AromaticContact CE3-CE2 3.5Å; W284-W337 HydrophobicContact CE3-CE3 4.19Å; W284-W337 AromaticContact CE3-CG 3.99Å; W284-W337 HydrophobicContact CE3-CG 3.99Å; W284-W337 HydrophobicContact CE3-CH2 4.41Å; W284-W337 AromaticContact CE3-CZ2 3.91Å; W284-W337 HydrophobicContact CE3-CZ2 3.91Å; W284-W337 AromaticContact CE3-NE1 3.66Å; W284-W337 AromaticContact CZ3-CD1 3.74Å; W284-W337 HydrophobicContact CZ3-CD2 4.28Å; W284-W337 AromaticContact CZ3-CE2 3.9Å; W284-W337 HydrophobicContact CZ3-CG 4.21Å; W284-W337 AromaticContact CZ3-NE1 3.55Å
338	E	90.4	Very high	80.4	Confident	71 Å²	71	72.3 Å²	72.3	33%	0.332	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.7	176.5	-175.2	174.6	130.6	0	0	111.3	K267 Y282 V283 A285 D336 M340	K267-E338 VanDerWaalsContact CE-OE1 3.26Å; K267-E338 WeakPolarHBondContact CE-OE1 3.44Å; K267-E338 WeakPolarHBondContact CE-OE2 3.3Å; K267-E338 IonicContact NZ-OE1 2.89Å; K267-E338 PolarHBondContact NZ-OE1 2.91Å; K267-E338 IonicContact NZ-OE2 2.69Å; K267-E338 PolarHBondContact NZ-OE2 3.35Å; Y282-E338 CarbonylContact C-O 3.46Å; Y282-E338 VanDerWaalsContact CA-O 3.29Å; Y282-E338 WeakPolarHBondContact CA-O 3.48Å; V283-E338 PolarHBondContact N-O 3.34Å; V283-E338 PolarHBondContact O-N 3.28Å; A285-E338 HydrophobicContact CB-CB 4.06Å; D336-E338 PolarHBondContact O-N 2.84Å; E338-M340 HydrophobicContact CG-SD 4.48Å
339	L	89.7	Confident	82	Confident	76 Å²	76	69.6 Å²	69.6	40%	0.398	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	128.7	175.3	-179.9	65.9	0	0	0	111	P280 Y282	P280-L339 HydrophobicContact CB-CD1 3.87Å; Y282-L339 HydrophobicContact CD1-CB 4.19Å; Y282-L339 HydrophobicContact CD1-CD1 4.34Å; Y282-L339 HydrophobicContact CE1-CB 4.02Å; Y282-L339 HydrophobicContact CE1-CD1 3.98Å
340	M	87.2	Confident	83.4	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-102.3	-23.2	-171.5	-65.3	-57.1	-52.2	0	0	115.3	K267 V270 K271 I281 V283 E338	K267-M340 HydrophobicContact CB-CE 3.75Å; K267-M340 HydrophobicContact CB-SD 4.49Å; K267-M340 HydrophobicContact CG-CE 3.84Å; K267-M340 HydrophobicContact CG-SD 3.91Å; K267-M340 VanDerWaalsContact O-CE 3.28Å; K267-M340 WeakPolarHBondContact O-CE 3.36Å; V270-M340 HydrophobicContact CB-CB 4.41Å; V270-M340 HydrophobicContact CB-CE 4.31Å; V270-M340 HydrophobicContact CG1-CB 3.57Å; V270-M340 HydrophobicContact CG1-CG 4.12Å; K271-M340 HydrophobicContact CD-CE 3.86Å; K271-M340 HydrophobicContact CG-CE 3.77Å; I281-M340 HydrophobicContact CB-CB 4.39Å; I281-M340 HydrophobicContact CG2-CB 4.42Å; I281-M340 WeakPolarHBondContact O-CB 3.35Å; I281-M340 PolarHBondContact O-N 3.39Å; V283-M340 HydrophobicContact CB-CG 4.07Å; V283-M340 HydrophobicContact CB-SD 4.07Å; V283-M340 HydrophobicContact CG2-CG 3.55Å; V283-M340 HydrophobicContact CG2-SD 3.93Å; E338-M340 HydrophobicContact CG-SD 4.48Å
341	N	83.9	Confident	84.3	Confident	20 Å²	20	66.5 Å²	66.5	11%	0.107	33%	0.332	C	S	.	.			trans	-118.6	67.8	-179.1	58.5	-31.2	0	0	0	110.9	Q275 I277 F279 I281	Q275-N341 WeakPolarHBondContact O-CB 3.38Å; I277-N341 PolarHBondContact O-ND2 3.1Å; F279-N341 PolarHBondContact O-ND2 2.69Å; I281-N341 PolarHBondContact N-OD1 2.74Å
342	D	76.9	Confident	85.3	Confident	92 Å²	92	69.3 Å²	69.3	49%	0.492	34%	0.342	S	S	.	.			trans	-68.5	-32.6	175	61	-41.7	0	0	0	113.3	K344	D342-K344 PolarHBondContact O-N 3.33Å
343	I	76.3	Confident	86.1	Confident	16 Å²	16	71.1 Å²	71.1	8%	0.082	35%	0.352	C	S	.	.	S	Bend	trans	-82.8	116.3	-174.1	-50.9	153.5	0	0	0	111.4	Q275 F276 F362 T365	Q275-I343 HydrophobicContact CG-CD1 4.23Å; Q275-I343 VanDerWaalsContact NE2-CD1 3.26Å; F276-I343 HydrophobicContact CE1-CB 3.99Å; F276-I343 HydrophobicContact CE1-CG2 3.79Å; I343-F362 HydrophobicContact CG2-CD2 3.43Å; I343-F362 VanDerWaalsContact CG2-CD2 3.43Å; I343-F362 HydrophobicContact CG2-CE2 3.7Å; I343-T365 HydrophobicContact CD1-CG2 3.61Å; I343-T365 HydrophobicContact CG1-CG2 3.82Å
344	K	81.3	Confident	86.6	Confident	161 Å²	161	67.8 Å²	67.8	70%	0.7	33%	0.331	S	S	*	.			trans	-73.9	140	176.2	-61.9	-177.9	-178.4	177.8	0	111.7	D342 I346	D342-K344 PolarHBondContact O-N 3.33Å; K344-I346 PolarHBondContact O-N 3.22Å
345	P	85.8	Confident	87	Confident	24 Å²	24	71.3 Å²	71.3	16%	0.156	34%	0.343	C	S	.	.			trans	-67.4	80.5	177.8	-23	35.3	0	0	0	114.2	F276 W347 Q348	F276-P345 HydrophobicContact CB-CG 4.02Å; F276-P345 HydrophobicContact CD1-CG 4.24Å; P345-W347 HydrophobicContact CB-CD2 4.31Å; P345-W347 HydrophobicContact CB-CE3 4.43Å; P345-W347 HydrophobicContact CB-CH2 4.11Å; P345-W347 HydrophobicContact CB-CZ2 3.92Å; P345-W347 HydrophobicContact CB-CZ3 4.33Å; P345-W347 PolarHBondContact O-N 3.32Å; P345-W347 VanDerWaalsContact O-N 3.08Å; P345-Q348 HydrophobicContact CB-CG 4.11Å; P345-Q348 WeakPolarHBondContact O-CB 3.45Å; P345-Q348 PolarHBondContact O-N 2.83Å
346	I	88.8	Confident	87.2	Confident	7 Å²	7	71 Å²	71	4%	0.036	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.5	-174.3	55.3	159.2	0	0	0	114.8	K344 Q348 V354 Y359 F362 I390	K344-I346 PolarHBondContact O-N 3.22Å; I346-Q348 VanDerWaalsContact C-N 3.26Å; I346-Q348 PolarHBondContact O-N 2.91Å; I346-V354 HydrophobicContact CB-CG1 4.28Å; I346-V354 HydrophobicContact CG2-CG1 4.37Å; I346-Y359 HydrophobicContact CD1-CD1 3.66Å; I346-Y359 HydrophobicContact CD1-CE1 4.09Å; I346-Y359 HydrophobicContact CD1-CG 4.37Å; I346-F362 HydrophobicContact CD1-CB 3.55Å; I346-F362 HydrophobicContact CD1-CD1 3.81Å; I346-F362 HydrophobicContact CD1-CD2 4Å; I346-F362 HydrophobicContact CD1-CG 3.48Å; I346-F362 VanDerWaalsContact CD1-CG 3.48Å; I346-F362 HydrophobicContact CG1-CB 4.2Å; I346-F362 HydrophobicContact CG1-CD1 4.29Å; I346-F362 HydrophobicContact CG1-CD2 3.75Å; I346-F362 HydrophobicContact CG1-CE2 4.26Å; I346-F362 HydrophobicContact CG1-CG 3.78Å; I346-I390 HydrophobicContact CD1-CD1 3.56Å; I346-I390 HydrophobicContact CG1-CD1 3.61Å
347	W	89.6	Confident	87.2	Confident	1 Å²	1	71.1 Å²	71.1	0%	0.004	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.5	176.3	63.6	89.2	0	0	0	114.1	F276 P345 F362 H378 K388 I390 V440 D442	F276-W347 HydrophobicContact CB-CH2 4.03Å; F276-W347 HydrophobicContact CB-CZ2 4.24Å; F276-W347 AromaticContact CD1-CH2 3.59Å; F276-W347 HydrophobicContact CD1-CH2 3.59Å; F276-W347 HydrophobicContact CD1-CZ3 4.12Å; F276-W347 AromaticContact CD2-CH2 3.68Å; F276-W347 HydrophobicContact CD2-CH2 3.68Å; F276-W347 HydrophobicContact CD2-CZ2 4.44Å; F276-W347 AromaticContact CE1-CH2 3.91Å; F276-W347 HydrophobicContact CE1-CH2 3.91Å; F276-W347 HydrophobicContact CE1-CZ3 4.08Å; F276-W347 AromaticContact CE2-CH2 3.99Å; F276-W347 HydrophobicContact CE2-CH2 3.99Å; F276-W347 AromaticContact CG-CH2 3.47Å; F276-W347 HydrophobicContact CG-CH2 3.47Å; F276-W347 VanDerWaalsContact CG-CH2 3.47Å; F276-W347 HydrophobicContact CG-CZ2 4.16Å; F276-W347 HydrophobicContact CG-CZ3 4.41Å; F276-W347 HydrophobicContact CZ-CH2 4.1Å; F276-W347 HydrophobicContact CZ-CZ3 4.32Å; P345-W347 HydrophobicContact CB-CD2 4.31Å; P345-W347 HydrophobicContact CB-CE3 4.43Å; P345-W347 HydrophobicContact CB-CH2 4.11Å; P345-W347 HydrophobicContact CB-CZ2 3.92Å; P345-W347 HydrophobicContact CB-CZ3 4.33Å; P345-W347 PolarHBondContact O-N 3.32Å; P345-W347 VanDerWaalsContact O-N 3.08Å; W347-F362 HydrophobicContact CE3-CE2 4.3Å; W347-F362 HydrophobicContact CE3-CZ 4.22Å; W347-F362 AromaticContact CZ3-CE2 3.66Å; W347-F362 HydrophobicContact CZ3-CE2 3.66Å; W347-F362 AromaticContact CZ3-CZ 3.66Å; W347-F362 HydrophobicContact CZ3-CZ 3.66Å; W347-H378 PolarHBondContact O-NE2 3.13Å; W347-K388 WeakPolarHBondContact O-CD 3.41Å; W347-I390 HydrophobicContact CB-CD1 3.67Å; W347-I390 HydrophobicContact CB-CG1 3.89Å; W347-V440 HydrophobicContact CD2-CG2 4.09Å; W347-V440 HydrophobicContact CE3-CG2 3.68Å; W347-V440 HydrophobicContact CZ3-CB 4.48Å; W347-V440 HydrophobicContact CZ3-CG1 4.31Å; W347-V440 HydrophobicContact CZ3-CG2 4.01Å; W347-D442 HydrophobicContact CZ2-CB 4.46Å; W347-D442 PolarHBondContact NE1-OD2 3.34Å
348	Q	86.4	Confident	87.1	Confident	41 Å²	41	70.2 Å²	70.2	19%	0.192	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-28.2	176.7	-70.4	-72	-4.7	0	0	111.7	P345 I346 K388 D442	P345-Q348 HydrophobicContact CB-CG 4.11Å; P345-Q348 WeakPolarHBondContact O-CB 3.45Å; P345-Q348 PolarHBondContact O-N 2.83Å; I346-Q348 VanDerWaalsContact C-N 3.26Å; I346-Q348 PolarHBondContact O-N 2.91Å; Q348-K388 PolarHBondContact O-NZ 3.23Å; Q348-D442 PolarHBondContact NE2-OD2 2.81Å
349	R	88.9	Confident	87.2	Confident	81 Å²	81	67.3 Å²	67.3	31%	0.306	33%	0.333	S	S	.	.	S	Bend	trans	-72.4	150.4	172.2	-79.5	160.4	65.7	-166.4	1.7	111.6	A351 E353 V354 E358 H378	R349-A351 PolarHBondContact O-N 3.49Å; R349-E353 PolarHBondContact NH2-O 2.9Å; R349-V354 HydrophobicContact CB-CG2 3.72Å; R349-E358 IonicContact CZ-OE1 3.85Å; R349-E358 IonicContact CZ-OE2 2.73Å; R349-E358 IonicContact NH1-OE1 2.63Å; R349-E358 PolarHBondContact NH1-OE1 3.46Å; R349-E358 IonicContact NH1-OE2 2.8Å; R349-E358 PolarHBondContact NH1-OE2 3.25Å; R349-E358 IonicContact NH2-OE1 3.74Å; R349-E358 PolarHBondContact NH2-OE1 3Å; R349-E358 IonicContact NH2-OE2 3.72Å; R349-E358 PolarHBondContact NH2-OE2 3.39Å; R349-H378 PolarHBondContact O-CE1 3.42Å
350	P	88.6	Confident	87.3	Confident	70 Å²	70	65.8 Å²	65.8	46%	0.455	32%	0.323	S	S	.	.			trans	-57.9	136	169.5	-24	35.6	0	0	0	111.6	K352 E353	P350-K352 PolarHBondContact O-N 3.15Å; P350-E353 HydrophobicContact CB-CG 4.26Å; P350-E353 WeakPolarHBondContact CD-OE2 3.22Å; P350-E353 HydrophobicContact CG-CG 4.44Å; P350-E353 WeakPolarHBondContact CG-OE1 3.32Å; P350-E353 PolarHBondContact O-N 2.71Å
351	A	88.3	Confident	87.4	Confident	55 Å²	55	68.5 Å²	68.5	46%	0.455	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-6.6	-177.6	0	0	0	0	0	115.6	R349 H378	R349-A351 PolarHBondContact O-N 3.49Å; A351-H378 HydrophobicContact CB-CB 4.1Å; A351-H378 WeakPolarHBondContact CB-ND1 3.27Å
352	K	89	Confident	87.7	Confident	207 Å²	207	67.9 Å²	67.9	90%	0.9	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-13.3	173.7	-63.8	-177.3	-179.5	178.1	0	114	P350	P350-K352 PolarHBondContact O-N 3.15Å
353	E	89.8	Confident	88.4	Confident	118 Å²	118	63.5 Å²	63.5	55%	0.551	32%	0.319	S	S	*	.	S	Bend	trans	-104.9	0	-175.9	-65.8	175	-163.3	0	0	112.3	R349 P350	R349-E353 PolarHBondContact NH2-O 2.9Å; P350-E353 HydrophobicContact CB-CG 4.26Å; P350-E353 WeakPolarHBondContact CD-OE2 3.22Å; P350-E353 HydrophobicContact CG-CG 4.44Å; P350-E353 WeakPolarHBondContact CG-OE1 3.32Å; P350-E353 PolarHBondContact O-N 2.71Å
354	V	89.9	Confident	89.1	Confident	11 Å²	11	65.9 Å²	65.9	7%	0.067	33%	0.328	C	S	.	.	S	Bend	trans	-108.7	121.3	-178.5	-176.1	0	0	0	0	108	I346 R349 E358 Y359	I346-V354 HydrophobicContact CB-CG1 4.28Å; I346-V354 HydrophobicContact CG2-CG1 4.37Å; R349-V354 HydrophobicContact CB-CG2 3.72Å; V354-E358 WeakPolarHBondContact CA-OE2 3.34Å; V354-E358 HydrophobicContact CG1-CB 3.83Å; V354-Y359 HydrophobicContact CB-CE2 3.73Å; V354-Y359 HydrophobicContact CG1-CD1 4.49Å; V354-Y359 HydrophobicContact CG1-CD2 3.83Å; V354-Y359 HydrophobicContact CG1-CE1 4.16Å; V354-Y359 HydrophobicContact CG1-CE2 3.47Å; V354-Y359 VanDerWaalsContact CG1-CE2 3.47Å; V354-Y359 HydrophobicContact CG1-CG 4.34Å; V354-Y359 WeakPolarHBondContact O-CE2 3.43Å
355	E	90.3	Very high	89.2	Confident	135 Å²	135	61.4 Å²	61.4	63%	0.631	32%	0.315	S	S	*	.			trans	-78.4	156.4	-178.2	-68.1	-61.5	160.1	0	0	111.9	D357 E358 Y359	E355-D357 PolarHBondContact O-N 3.13Å; E355-E358 HydrophobicContact CB-CG 4.43Å; E355-E358 PolarHBondContact N-OE2 3.44Å; E355-E358 VanDerWaalsContact N-OE2 3.08Å; E355-E358 WeakPolarHBondContact O-CB 3.42Å; E355-E358 PolarHBondContact O-N 3.07Å; E355-Y359 VanDerWaalsContact O-CD2 3.3Å; E355-Y359 WeakPolarHBondContact O-CD2 3.24Å; E355-Y359 PolarHBondContact O-N 3.49Å
356	E	89.3	Confident	89.3	Confident	114 Å²	114	60.9 Å²	60.9	53%	0.533	31%	0.31	S	S	.	.	H	α-helix	trans	-57.8	-37	-175.8	-161.4	-173.7	107.4	0	0	112.5	E358 Y359 K360	E356-E358 VanDerWaalsContact C-N 3.32Å; E356-E358 PolarHBondContact O-N 3.37Å; E356-Y359 WeakPolarHBondContact O-CB 3.44Å; E356-Y359 PolarHBondContact O-N 2.92Å; E356-K360 PolarHBondContact O-N 3.44Å; E356-K360 VanDerWaalsContact O-N 3.1Å; E356-K360 WeakPolarHBondContact OE1-CE 3.46Å; E356-K360 IonicContact OE1-NZ 3.79Å; E356-K360 PolarHBondContact OE1-NZ 3.02Å
357	D	89.5	Confident	89	Confident	109 Å²	109	61.7 Å²	61.7	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-73.4	-22.6	180	-62.2	-23.5	0	0	0	113	E355 K360 A361	E355-D357 PolarHBondContact O-N 3.13Å; D357-K360 PolarHBondContact O-N 3.22Å; D357-K360 WeakPolarHBondContact OD1-CD 3.48Å; D357-K360 IonicContact OD1-NZ 3.91Å; D357-K360 PolarHBondContact OD1-NZ 2.77Å; D357-A361 WeakPolarHBondContact O-CB 3.41Å; D357-A361 PolarHBondContact O-N 3.1Å
358	E	89.6	Confident	88.8	Confident	66 Å²	66	71.1 Å²	71.1	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-69.9	-37.3	169.1	-64.5	-173	100.4	0	0	111.4	R349 V354 E355 E356 F362	R349-E358 IonicContact CZ-OE1 3.85Å; R349-E358 IonicContact CZ-OE2 2.73Å; R349-E358 IonicContact NH1-OE1 2.63Å; R349-E358 PolarHBondContact NH1-OE1 3.46Å; R349-E358 IonicContact NH1-OE2 2.8Å; R349-E358 PolarHBondContact NH1-OE2 3.25Å; R349-E358 IonicContact NH2-OE1 3.74Å; R349-E358 PolarHBondContact NH2-OE1 3Å; R349-E358 IonicContact NH2-OE2 3.72Å; R349-E358 PolarHBondContact NH2-OE2 3.39Å; V354-E358 WeakPolarHBondContact CA-OE2 3.34Å; V354-E358 HydrophobicContact CG1-CB 3.83Å; E355-E358 HydrophobicContact CB-CG 4.43Å; E355-E358 PolarHBondContact N-OE2 3.44Å; E355-E358 VanDerWaalsContact N-OE2 3.08Å; E355-E358 WeakPolarHBondContact O-CB 3.42Å; E355-E358 PolarHBondContact O-N 3.07Å; E356-E358 VanDerWaalsContact C-N 3.32Å; E356-E358 PolarHBondContact O-N 3.37Å; E358-F362 WeakPolarHBondContact O-CB 3.41Å; E358-F362 PolarHBondContact O-N 3.29Å
359	Y	92.2	Very high	88.7	Confident	10 Å²	10	71.7 Å²	71.7	4%	0.039	36%	0.361	C	S	.	.	H	α-helix	trans	-66.3	-38	172.6	-67.8	-80.8	0	0	0	111.9	I346 V354 E355 E356 Y363 H376 H378 I390 F392	I346-Y359 HydrophobicContact CD1-CD1 3.66Å; I346-Y359 HydrophobicContact CD1-CE1 4.09Å; I346-Y359 HydrophobicContact CD1-CG 4.37Å; V354-Y359 HydrophobicContact CB-CE2 3.73Å; V354-Y359 HydrophobicContact CG1-CD1 4.49Å; V354-Y359 HydrophobicContact CG1-CD2 3.83Å; V354-Y359 HydrophobicContact CG1-CE1 4.16Å; V354-Y359 HydrophobicContact CG1-CE2 3.47Å; V354-Y359 VanDerWaalsContact CG1-CE2 3.47Å; V354-Y359 HydrophobicContact CG1-CG 4.34Å; V354-Y359 WeakPolarHBondContact O-CE2 3.43Å; E355-Y359 VanDerWaalsContact O-CD2 3.3Å; E355-Y359 WeakPolarHBondContact O-CD2 3.24Å; E355-Y359 PolarHBondContact O-N 3.49Å; E356-Y359 WeakPolarHBondContact O-CB 3.44Å; E356-Y359 PolarHBondContact O-N 2.92Å; Y359-Y363 VanDerWaalsContact O-CB 3.3Å; Y359-Y363 WeakPolarHBondContact O-CB 3.32Å; Y359-Y363 PolarHBondContact O-N 3.45Å; Y359-H376 AromaticContact CD1-CD2 3.93Å; Y359-H376 AromaticContact CD2-NE2 3.77Å; Y359-H376 AromaticContact CE2-NE2 3.93Å; Y359-H376 AromaticContact CG-CD2 3.98Å; Y359-H376 AromaticContact CG-NE2 3.96Å; Y359-H378 HydrophobicContact CE1-CB 3.91Å; Y359-H378 AromaticContact CE1-ND1 3.83Å; Y359-H378 AromaticContact CZ-ND1 3.8Å; Y359-H378 PolarHBondContact OH-ND1 2.85Å; Y359-I390 HydrophobicContact CD1-CD1 4.31Å; Y359-I390 HydrophobicContact CD1-CG2 4.22Å; Y359-I390 HydrophobicContact CE1-CD1 3.91Å; Y359-I390 HydrophobicContact CE1-CG2 4.33Å; Y359-F392 HydrophobicContact CD1-CZ 4.49Å
360	K	92.1	Very high	88.6	Confident	44 Å²	44	72.1 Å²	72.1	19%	0.191	38%	0.377	C	S	.	.	H	α-helix	trans	-66.1	-49	175.3	-66.6	168	-170.8	152.6	0	111.8	E356 D357 F362 Y363 K364 D372	E356-K360 PolarHBondContact O-N 3.44Å; E356-K360 VanDerWaalsContact O-N 3.1Å; E356-K360 WeakPolarHBondContact OE1-CE 3.46Å; E356-K360 IonicContact OE1-NZ 3.79Å; E356-K360 PolarHBondContact OE1-NZ 3.02Å; D357-K360 PolarHBondContact O-N 3.22Å; D357-K360 WeakPolarHBondContact OD1-CD 3.48Å; D357-K360 IonicContact OD1-NZ 3.91Å; D357-K360 PolarHBondContact OD1-NZ 2.77Å; K360-F362 PolarHBondContact O-N 3.34Å; K360-Y363 WeakPolarHBondContact O-CB 3.48Å; K360-Y363 PolarHBondContact O-N 3.06Å; K360-K364 WeakPolarHBondContact O-CG 3.46Å; K360-K364 PolarHBondContact O-N 2.94Å; K360-K364 VanDerWaalsContact O-N 3.13Å; K360-D372 WeakPolarHBondContact CD-OD2 3.35Å
361	A	89.4	Confident	88.6	Confident	57 Å²	57	72.5 Å²	72.5	47%	0.471	38%	0.375	S	S	.	.	H	α-helix	trans	-59.4	-47.7	177.1	0	0	0	0	0	111.1	D357 Y363 K364 T365	D357-A361 WeakPolarHBondContact O-CB 3.41Å; D357-A361 PolarHBondContact O-N 3.1Å; A361-Y363 VanDerWaalsContact C-N 3.34Å; A361-Y363 PolarHBondContact O-N 2.71Å; A361-K364 PolarHBondContact O-N 3.34Å; A361-T365 PolarHBondContact O-N 3.09Å; A361-T365 PolarHBondContact O-OG1 2.92Å
362	F	90.7	Very high	88.9	Confident	6 Å²	6	73.2 Å²	73.2	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-56.4	-46.6	174.4	178.1	-89.9	0	0	0	112.1	F276 I343 I346 W347 E358 K360 K364 T365 F366 F392 V440	F276-F362 AromaticContact CE1-CE2 3.84Å; F276-F362 HydrophobicContact CE1-CE2 3.84Å; F276-F362 HydrophobicContact CZ-CE2 4.03Å; F276-F362 HydrophobicContact CZ-CZ 4.29Å; I343-F362 HydrophobicContact CG2-CD2 3.43Å; I343-F362 VanDerWaalsContact CG2-CD2 3.43Å; I343-F362 HydrophobicContact CG2-CE2 3.7Å; I346-F362 HydrophobicContact CD1-CB 3.55Å; I346-F362 HydrophobicContact CD1-CD1 3.81Å; I346-F362 HydrophobicContact CD1-CD2 4Å; I346-F362 HydrophobicContact CD1-CG 3.48Å; I346-F362 VanDerWaalsContact CD1-CG 3.48Å; I346-F362 HydrophobicContact CG1-CB 4.2Å; I346-F362 HydrophobicContact CG1-CD1 4.29Å; I346-F362 HydrophobicContact CG1-CD2 3.75Å; I346-F362 HydrophobicContact CG1-CE2 4.26Å; I346-F362 HydrophobicContact CG1-CG 3.78Å; W347-F362 HydrophobicContact CE3-CE2 4.3Å; W347-F362 HydrophobicContact CE3-CZ 4.22Å; W347-F362 AromaticContact CZ3-CE2 3.66Å; W347-F362 HydrophobicContact CZ3-CE2 3.66Å; W347-F362 AromaticContact CZ3-CZ 3.66Å; W347-F362 HydrophobicContact CZ3-CZ 3.66Å; E358-F362 WeakPolarHBondContact O-CB 3.41Å; E358-F362 PolarHBondContact O-N 3.29Å; K360-F362 PolarHBondContact O-N 3.34Å; F362-K364 PolarHBondContact O-N 2.71Å; F362-T365 PolarHBondContact O-N 3.41Å; F362-F366 HydrophobicContact CD1-CB 4.28Å; F362-F366 HydrophobicContact CE1-CB 3.83Å; F362-F366 HydrophobicContact CE1-CD1 4.45Å; F362-F366 HydrophobicContact CE1-CD2 4.39Å; F362-F366 AromaticContact CE1-CG 3.97Å; F362-F366 HydrophobicContact CE1-CG 3.97Å; F362-F366 HydrophobicContact CZ-CB 3.94Å; F362-F366 AromaticContact CZ-CD2 4Å; F362-F366 HydrophobicContact CZ-CD2 4Å; F362-F366 HydrophobicContact CZ-CG 4.01Å; F362-F366 WeakPolarHBondContact O-CB 3.32Å; F362-F366 PolarHBondContact O-N 3.42Å; F362-F392 AromaticContact CD1-CE2 3.87Å; F362-F392 HydrophobicContact CD1-CE2 3.87Å; F362-F392 AromaticContact CD1-CZ 3.76Å; F362-F392 HydrophobicContact CD1-CZ 3.76Å; F362-F392 AromaticContact CE1-CE2 3.94Å; F362-F392 HydrophobicContact CE1-CE2 3.94Å; F362-F392 HydrophobicContact CE1-CZ 4.31Å; F362-V440 HydrophobicContact CE1-CG1 4.47Å; F362-V440 HydrophobicContact CZ-CG1 4.07Å
363	Y	91.5	Very high	89.1	Confident	1 Å²	1	64.2 Å²	64.2	0%	0.004	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-46.1	-179	176.1	-98.3	0	0	0	112.6	Y359 K360 A361 S367 D369 D371 P373 F392 P394 K438	Y359-Y363 VanDerWaalsContact O-CB 3.3Å; Y359-Y363 WeakPolarHBondContact O-CB 3.32Å; Y359-Y363 PolarHBondContact O-N 3.45Å; K360-Y363 WeakPolarHBondContact O-CB 3.48Å; K360-Y363 PolarHBondContact O-N 3.06Å; A361-Y363 VanDerWaalsContact C-N 3.34Å; A361-Y363 PolarHBondContact O-N 2.71Å; Y363-S367 WeakPolarHBondContact O-CB 3.22Å; Y363-S367 PolarHBondContact O-N 3.27Å; Y363-S367 PolarHBondContact O-OG 3.5Å; Y363-D369 HydrophobicContact CE1-CB 3.95Å; Y363-D371 WeakPolarHBondContact CE1-O 3.43Å; Y363-P373 HydrophobicContact CD1-CB 3.96Å; Y363-P373 HydrophobicContact CD1-CG 4.02Å; Y363-P373 HydrophobicContact CD2-CB 3.87Å; Y363-P373 HydrophobicContact CD2-CG 4.25Å; Y363-P373 HydrophobicContact CE1-CB 4.15Å; Y363-P373 HydrophobicContact CE2-CB 4.04Å; Y363-P373 HydrophobicContact CG-CB 3.81Å; Y363-P373 HydrophobicContact CG-CG 3.77Å; Y363-F392 HydrophobicContact CD2-CB 3.56Å; Y363-F392 AromaticContact CD2-CD1 3.6Å; Y363-F392 HydrophobicContact CD2-CD1 3.6Å; Y363-F392 AromaticContact CD2-CD2 3.96Å; Y363-F392 HydrophobicContact CD2-CD2 3.96Å; Y363-F392 HydrophobicContact CD2-CE1 4.2Å; Y363-F392 AromaticContact CD2-CG 3.45Å; Y363-F392 HydrophobicContact CD2-CG 3.45Å; Y363-F392 VanDerWaalsContact CD2-CG 3.45Å; Y363-F392 HydrophobicContact CE2-CB 3.56Å; Y363-F392 HydrophobicContact CE2-CD1 4.42Å; Y363-F392 HydrophobicContact CE2-CG 4.02Å; Y363-F392 HydrophobicContact CG-CD1 4.16Å; Y363-F392 HydrophobicContact CG-CE1 4.47Å; Y363-F392 HydrophobicContact CG-CG 4.42Å; Y363-P394 WeakPolarHBondContact OH-CA 3.44Å; Y363-P394 VanDerWaalsContact OH-CB 3.29Å; Y363-P394 WeakPolarHBondContact OH-CB 3.34Å; Y363-K438 HydrophobicContact CE2-CB 4.27Å; Y363-K438 HydrophobicContact CE2-CD 3.98Å; Y363-K438 HydrophobicContact CE2-CG 4.43Å; Y363-K438 VanDerWaalsContact OH-CE 3.22Å; Y363-K438 WeakPolarHBondContact OH-CE 3.47Å; Y363-K438 PolarHBondContact OH-NZ 3.36Å; Y363-K438 VanDerWaalsContact OH-NZ 3.07Å
364	K	89.4	Confident	89.3	Confident	66 Å²	66	59.7 Å²	59.7	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-51	-178.7	-66.9	-173.4	-170.6	-160.5	0	111.3	K360 A361 F362 S367 K368 D369 S370 D371 D372	K360-K364 WeakPolarHBondContact O-CG 3.46Å; K360-K364 PolarHBondContact O-N 2.94Å; K360-K364 VanDerWaalsContact O-N 3.13Å; A361-K364 PolarHBondContact O-N 3.34Å; F362-K364 PolarHBondContact O-N 2.71Å; K364-S367 PolarHBondContact O-N 2.89Å; K364-K368 VanDerWaalsContact O-CA 3.3Å; K364-K368 WeakPolarHBondContact O-CA 3.47Å; K364-K368 PolarHBondContact O-N 3.13Å; K364-D369 WeakPolarHBondContact CB-O 3.32Å; K364-D369 WeakPolarHBondContact CG-O 3.3Å; K364-D369 PolarHBondContact O-N 2.79Å; K364-S370 WeakPolarHBondContact CD-O 3.27Å; K364-S370 VanDerWaalsContact CE-O 3.24Å; K364-S370 WeakPolarHBondContact CE-O 3.37Å; K364-S370 PolarHBondContact NZ-O 3.07Å; K364-D371 VanDerWaalsContact CE-C 3.5Å; K364-D371 WeakPolarHBondContact CE-O 3.29Å; K364-D372 WeakPolarHBondContact CE-OD1 3.26Å; K364-D372 IonicContact NZ-OD1 3.94Å; K364-D372 PolarHBondContact NZ-OD1 3.17Å
365	T	85	Confident	89.5	Confident	67 Å²	67	60 Å²	60	41%	0.411	32%	0.318	S	S	.	.	H	α-helix	trans	-70.9	-35.8	-178.2	-32.7	0	0	0	0	112.6	I343 A361 F362	I343-T365 HydrophobicContact CD1-CG2 3.61Å; I343-T365 HydrophobicContact CG1-CG2 3.82Å; A361-T365 PolarHBondContact O-N 3.09Å; A361-T365 PolarHBondContact O-OG1 2.92Å; F362-T365 PolarHBondContact O-N 3.41Å
366	F	86.1	Confident	89.7	Confident	12 Å²	12	56.8 Å²	56.8	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-66.9	-43.9	175.4	175.3	-100.5	0	0	0	112.5	F276 F362 K414 G439 V440	F276-F366 HydrophobicContact CE2-CD2 4.49Å; F276-F366 HydrophobicContact CZ-CD2 4.19Å; F362-F366 HydrophobicContact CD1-CB 4.28Å; F362-F366 HydrophobicContact CE1-CB 3.83Å; F362-F366 HydrophobicContact CE1-CD1 4.45Å; F362-F366 HydrophobicContact CE1-CD2 4.39Å; F362-F366 AromaticContact CE1-CG 3.97Å; F362-F366 HydrophobicContact CE1-CG 3.97Å; F362-F366 HydrophobicContact CZ-CB 3.94Å; F362-F366 AromaticContact CZ-CD2 4Å; F362-F366 HydrophobicContact CZ-CD2 4Å; F362-F366 HydrophobicContact CZ-CG 4.01Å; F362-F366 WeakPolarHBondContact O-CB 3.32Å; F362-F366 PolarHBondContact O-N 3.42Å; F366-K414 HydrophobicContact CE2-CB 4.49Å; F366-K414 HydrophobicContact CE2-CD 3.98Å; F366-K414 HydrophobicContact CZ-CB 4.24Å; F366-K414 HydrophobicContact CZ-CD 3.93Å; F366-K414 HydrophobicContact CZ-CG 4.15Å; F366-G439 VanDerWaalsContact CZ-O 3.27Å; F366-G439 WeakPolarHBondContact CZ-O 3.47Å; F366-V440 HydrophobicContact CD2-CG1 4Å; F366-V440 HydrophobicContact CE1-CG1 4.31Å; F366-V440 HydrophobicContact CE2-CG1 3.4Å; F366-V440 VanDerWaalsContact CE2-CG1 3.4Å; F366-V440 HydrophobicContact CZ-CG1 3.59Å
367	S	84.3	Confident	90	Very high	24 Å²	24	52.2 Å²	52.2	17%	0.168	28%	0.281	C	S	.	.	H	α-helix	trans	-102.6	3.4	-171.3	75.8	0	0	0	0	115.7	Y363 K364 D369 K438	Y363-S367 WeakPolarHBondContact O-CB 3.22Å; Y363-S367 PolarHBondContact O-N 3.27Å; Y363-S367 PolarHBondContact O-OG 3.5Å; K364-S367 PolarHBondContact O-N 2.89Å; S367-D369 PolarHBondContact O-N 3.35Å; S367-K438 PolarHBondContact OG-NZ 2.94Å; S367-K438 VanDerWaalsContact OG-NZ 3.12Å
368	K	84.7	Confident	90.2	Very high	199 Å²	199	48.3 Å²	48.3	87%	0.865	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	38.1	-178.8	-56.6	-179.1	179.9	179.7	0	112.9	K364	K364-K368 VanDerWaalsContact O-CA 3.3Å; K364-K368 WeakPolarHBondContact O-CA 3.47Å; K364-K368 PolarHBondContact O-N 3.13Å
369	D	84.4	Confident	90.4	Very high	53 Å²	53	45.8 Å²	45.8	28%	0.283	25%	0.247	S	C	.	.			trans	-108.7	145.5	-175.1	-145.7	-43.3	0	0	0	110.5	Y363 K364 S367 D371 K438	Y363-D369 HydrophobicContact CE1-CB 3.95Å; K364-D369 WeakPolarHBondContact CB-O 3.32Å; K364-D369 WeakPolarHBondContact CG-O 3.3Å; K364-D369 PolarHBondContact O-N 2.79Å; S367-D369 PolarHBondContact O-N 3.35Å; D369-D371 PolarHBondContact OD1-N 3.48Å; D369-K438 IonicContact OD2-NZ 3.98Å; D369-K438 PolarHBondContact OD2-NZ 2.93Å
370	S	86.3	Confident	90.4	Very high	91 Å²	91	49 Å²	49	64%	0.636	27%	0.268	S	S	*	.	S	Bend	trans	-78.4	-28.3	176.1	49.8	0	0	0	0	112.3	K364	K364-S370 WeakPolarHBondContact CD-O 3.27Å; K364-S370 VanDerWaalsContact CE-O 3.24Å; K364-S370 WeakPolarHBondContact CE-O 3.37Å; K364-S370 PolarHBondContact NZ-O 3.07Å
371	D	89.7	Confident	90.3	Very high	77 Å²	77	47.2 Å²	47.2	41%	0.412	26%	0.262	S	S	.	.	S	Bend	trans	-99	155.7	-162.3	-70	20.7	0	0	0	111.5	Y363 K364 D369	Y363-D371 WeakPolarHBondContact CE1-O 3.43Å; K364-D371 VanDerWaalsContact CE-C 3.5Å; K364-D371 WeakPolarHBondContact CE-O 3.29Å; D369-D371 PolarHBondContact OD1-N 3.48Å
372	D	92.9	Very high	90.1	Very high	70 Å²	70	51.6 Å²	51.6	37%	0.374	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.8	174.7	-72.1	12	0	0	0	110.1	K360 K364 T395	K360-D372 WeakPolarHBondContact CD-OD2 3.35Å; K364-D372 WeakPolarHBondContact CE-OD1 3.26Å; K364-D372 IonicContact NZ-OD1 3.94Å; K364-D372 PolarHBondContact NZ-OD1 3.17Å; D372-T395 WeakPolarHBondContact O-CB 3.39Å; D372-T395 PolarHBondContact O-OG1 3.33Å
373	P	94.3	Very high	89.8	Confident	18 Å²	18	54.2 Å²	54.2	12%	0.117	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.8	138.1	172	29.8	-32.6	0	0	0	110.6	Y363 A375 F392 I393	Y363-P373 HydrophobicContact CD1-CB 3.96Å; Y363-P373 HydrophobicContact CD1-CG 4.02Å; Y363-P373 HydrophobicContact CD2-CB 3.87Å; Y363-P373 HydrophobicContact CD2-CG 4.25Å; Y363-P373 HydrophobicContact CE1-CB 4.15Å; Y363-P373 HydrophobicContact CE2-CB 4.04Å; Y363-P373 HydrophobicContact CG-CB 3.81Å; Y363-P373 HydrophobicContact CG-CG 3.77Å; P373-A375 VanDerWaalsContact C-N 3.28Å; P373-A375 PolarHBondContact O-N 3.39Å; P373-F392 HydrophobicContact CB-CB 4.3Å; P373-F392 HydrophobicContact CB-CD1 3.79Å; P373-F392 HydrophobicContact CG-CD1 3.83Å; P373-F392 HydrophobicContact CG-CE1 4.24Å; P373-I393 CarbonylContact C-O 3.57Å; P373-I393 WeakPolarHBondContact CA-O 3.39Å
374	L	93.3	Very high	89.3	Confident	23 Å²	23	61 Å²	61	12%	0.12	33%	0.333	C	S	.	.	S	Bend	trans	-64.1	-34.2	179	179.2	60.7	0	0	0	112.6	I393 T395 K487 F488	L374-I393 HydrophobicContact CB-CB 4.48Å; L374-I393 HydrophobicContact CB-CG2 4.32Å; L374-I393 HydrophobicContact CD2-CG2 4.3Å; L374-I393 PolarHBondContact N-O 2.63Å; L374-T395 PolarHBondContact N-OG1 2.99Å; L374-K487 HydrophobicContact CD1-CB 4.05Å; L374-K487 HydrophobicContact CD1-CD 3.71Å; L374-K487 HydrophobicContact CD2-CB 4.22Å; L374-F488 HydrophobicContact CD2-CB 3.89Å; L374-F488 HydrophobicContact CD2-CD2 4.19Å
375	A	93.9	Very high	89	Confident	19 Å²	19	58.1 Å²	58.1	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156	173.1	0	0	0	0	0	110.1	P373 F392 I393 M475 I479	P373-A375 VanDerWaalsContact C-N 3.28Å; P373-A375 PolarHBondContact O-N 3.39Å; A375-F392 WeakPolarHBondContact O-CA 3.29Å; A375-I393 HydrophobicContact CB-CB 4.49Å; A375-I393 HydrophobicContact CB-CD1 4.12Å; A375-I393 HydrophobicContact CB-CG1 4.42Å; A375-I393 PolarHBondContact O-N 2.94Å; A375-M475 HydrophobicContact CB-CG 4.1Å; A375-M475 HydrophobicContact CB-SD 4.25Å; A375-I479 HydrophobicContact CB-CG1 4.32Å
376	H	94.9	Very high	89.2	Confident	67 Å²	67	57.6 Å²	57.6	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.8	172	70.7	-91.6	0	0	0	110.9	Y359 L391 F392	Y359-H376 AromaticContact CD1-CD2 3.93Å; Y359-H376 AromaticContact CD2-NE2 3.77Å; Y359-H376 AromaticContact CE2-NE2 3.93Å; Y359-H376 AromaticContact CG-CD2 3.98Å; Y359-H376 AromaticContact CG-NE2 3.96Å; H376-L391 CarbonylContact C-O 3.47Å; H376-L391 VanDerWaalsContact CA-O 3.29Å; H376-L391 WeakPolarHBondContact CA-O 3.24Å; H376-F392 HydrophobicContact CB-CD1 3.52Å; H376-F392 HydrophobicContact CB-CE1 3.66Å; H376-F392 HydrophobicContact CB-CG 4.39Å
377	I	95.1	Very high	89.5	Confident	18 Å²	18	57.3 Å²	57.3	9%	0.092	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	117.6	168.3	-170.1	171.1	0	0	0	110.4	F379 I390 L391 K471 M475	I377-F379 HydrophobicContact CG1-CD1 4.36Å; I377-F379 HydrophobicContact CG2-CD1 4.49Å; I377-I390 WeakPolarHBondContact O-CA 3.45Å; I377-L391 HydrophobicContact CG2-CB 3.97Å; I377-L391 PolarHBondContact N-O 3.37Å; I377-L391 PolarHBondContact O-N 2.92Å; I377-K471 HydrophobicContact CD1-CB 4.37Å; I377-K471 HydrophobicContact CD1-CD 4.16Å; I377-M475 HydrophobicContact CB-CB 4.02Å; I377-M475 HydrophobicContact CB-CG 4.21Å; I377-M475 HydrophobicContact CB-SD 3.88Å; I377-M475 HydrophobicContact CD1-CB 4.24Å; I377-M475 HydrophobicContact CG2-CB 3.89Å; I377-M475 HydrophobicContact CG2-CE 3.89Å; I377-M475 HydrophobicContact CG2-CG 4.23Å; I377-M475 HydrophobicContact CG2-SD 3.58Å; I377-M475 VanDerWaalsContact CG2-SD 3.58Å
378	H	94.8	Very high	89.9	Confident	27 Å²	27	58.7 Å²	58.7	13%	0.125	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	129.5	168.7	-172	176.5	0	0	0	108.8	W347 R349 A351 Y359 I390	W347-H378 PolarHBondContact O-NE2 3.13Å; R349-H378 PolarHBondContact O-CE1 3.42Å; A351-H378 HydrophobicContact CB-CB 4.1Å; A351-H378 WeakPolarHBondContact CB-ND1 3.27Å; Y359-H378 HydrophobicContact CE1-CB 3.91Å; Y359-H378 AromaticContact CE1-ND1 3.83Å; Y359-H378 AromaticContact CZ-ND1 3.8Å; Y359-H378 PolarHBondContact OH-ND1 2.85Å; H378-I390 HydrophobicContact CB-CG1 3.97Å
379	F	93.7	Very high	90.3	Very high	12 Å²	12	49.2 Å²	49.2	5%	0.053	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.8	172.3	67.7	-82.8	0	0	0	113.2	I377 A381 F387 S389 L391 L468 K471	I377-F379 HydrophobicContact CG1-CD1 4.36Å; I377-F379 HydrophobicContact CG2-CD1 4.49Å; F379-A381 HydrophobicContact CD2-CB 4.16Å; F379-A381 HydrophobicContact CE2-CB 3.97Å; F379-F387 AromaticContact CE2-CE2 3.75Å; F379-F387 HydrophobicContact CE2-CE2 3.75Å; F379-F387 HydrophobicContact CE2-CZ 4.23Å; F379-F387 HydrophobicContact CZ-CE2 4.02Å; F379-S389 PolarHBondContact N-O 3.02Å; F379-S389 PolarHBondContact O-N 3.08Å; F379-L391 HydrophobicContact CE1-CD1 4.21Å; F379-L391 HydrophobicContact CE1-CG 4.43Å; F379-L468 HydrophobicContact CZ-CD2 4.16Å; F379-K471 HydrophobicContact CB-CD 4.25Å; F379-K471 HydrophobicContact CD1-CB 3.98Å; F379-K471 HydrophobicContact CD1-CD 4.04Å; F379-K471 HydrophobicContact CD1-CG 3.9Å; F379-K471 HydrophobicContact CD2-CD 4.08Å; F379-K471 HydrophobicContact CD2-CG 3.88Å; F379-K471 HydrophobicContact CE1-CB 3.61Å; F379-K471 HydrophobicContact CE1-CD 4.44Å; F379-K471 HydrophobicContact CE1-CG 3.8Å; F379-K471 HydrophobicContact CE2-CB 4.42Å; F379-K471 HydrophobicContact CE2-CD 4.48Å; F379-K471 HydrophobicContact CE2-CG 3.78Å; F379-K471 HydrophobicContact CG-CD 3.84Å; F379-K471 HydrophobicContact CG-CG 3.94Å; F379-K471 HydrophobicContact CZ-CB 3.85Å; F379-K471 HydrophobicContact CZ-CG 3.73Å
380	T	92.2	Very high	90.8	Very high	77 Å²	77	46.7 Å²	46.7	47%	0.472	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	148.1	161.1	-48.2	0	0	0	0	109.7	E382 K388	T380-E382 HydrophobicContact CG2-CG 4.45Å; T380-K388 HydrophobicContact CG2-CG 4.34Å
381	A	90.3	Very high	91.3	Very high	7 Å²	7	42.3 Å²	42.3	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	107.8	-177.4	0	0	0	0	0	110.4	F379 T386 F387 K467	F379-A381 HydrophobicContact CD2-CB 4.16Å; F379-A381 HydrophobicContact CE2-CB 3.97Å; A381-T386 VanDerWaalsContact O-CA 3.3Å; A381-T386 WeakPolarHBondContact O-CA 3.42Å; A381-F387 HydrophobicContact CB-CD1 3.8Å; A381-F387 HydrophobicContact CB-CD2 3.97Å; A381-F387 HydrophobicContact CB-CE1 3.67Å; A381-F387 HydrophobicContact CB-CE2 3.84Å; A381-F387 HydrophobicContact CB-CG 3.97Å; A381-F387 HydrophobicContact CB-CZ 3.7Å; A381-F387 PolarHBondContact N-O 3.43Å; A381-F387 PolarHBondContact O-N 3.47Å; A381-K467 HydrophobicContact CB-CD 3.62Å; A381-K467 PolarHBondContact O-NZ 3.21Å
382	E	85.4	Confident	91.6	Very high	149 Å²	149	38.7 Å²	38.7	70%	0.696	22%	0.215	S	C	*	.			trans	-101.7	169.2	-176.2	-68.6	153.4	-151.1	0	0	112.9	T380 K467	T380-E382 HydrophobicContact CG2-CG 4.45Å; E382-K467 PolarHBondContact O-NZ 3.03Å
383	G	83	Confident	91.7	Very high	61 Å²	61	35.3 Å²	35.3	63%	0.629	20%	0.197	S	C	*	.	S	Bend	trans	105.6	-144	-177.1	0	0	0	0	0	112.7	V385	G383-V385 PolarHBondContact O-N 3.42Å
384	E	80.9	Confident	91.7	Very high	143 Å²	143	34.5 Å²	34.5	67%	0.668	19%	0.192	S	C	*	.	S	Bend	trans	-51	-26.6	-177.2	-174.7	-175.4	-177.3	0	0	115	V463	E384-V463 WeakPolarHBondContact OE2-CG2 3.36Å
385	V	84.9	Confident	91.6	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	20%	0.198	C	C	.	.	S	Bend	trans	-136.7	123.2	167.1	-172.2	0	0	0	0	108.5	G383 F387 L446 L460 V463 I464 K467	G383-V385 PolarHBondContact O-N 3.42Å; V385-F387 HydrophobicContact CB-CD1 4.46Å; V385-F387 HydrophobicContact CG1-CD1 4.02Å; V385-L446 HydrophobicContact CG1-CD2 3.99Å; V385-L460 HydrophobicContact CG2-CB 3.98Å; V385-L460 HydrophobicContact CG2-CD2 3.9Å; V385-L460 HydrophobicContact CG2-CG 4.4Å; V385-V463 HydrophobicContact CG2-CB 4.32Å; V385-V463 HydrophobicContact CG2-CG1 4.27Å; V385-I464 HydrophobicContact CG1-CD1 4.26Å; V385-I464 HydrophobicContact CG1-CG1 4.1Å; V385-K467 PolarHBondContact O-NZ 2.81Å
386	T	88.6	Confident	91.5	Very high	56 Å²	56	37.5 Å²	37.5	34%	0.344	21%	0.211	S	C	.	.			trans	-85	116.3	171.1	31.9	0	0	0	0	110.2	A381 S443 D445	A381-T386 VanDerWaalsContact O-CA 3.3Å; A381-T386 WeakPolarHBondContact O-CA 3.42Å; T386-S443 WeakPolarHBondContact O-CB 3.43Å; T386-S443 PolarHBondContact O-OG 3.18Å; T386-D445 WeakPolarHBondContact CB-OD2 3.2Å; T386-D445 PolarHBondContact OG1-OD2 3.25Å
387	F	91.8	Very high	91.3	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	154.7	172.9	68.7	-97	0	0	0	113.2	F379 A381 V385 V441 D442 I464 K467 L468	F379-F387 AromaticContact CE2-CE2 3.75Å; F379-F387 HydrophobicContact CE2-CE2 3.75Å; F379-F387 HydrophobicContact CE2-CZ 4.23Å; F379-F387 HydrophobicContact CZ-CE2 4.02Å; A381-F387 HydrophobicContact CB-CD1 3.8Å; A381-F387 HydrophobicContact CB-CD2 3.97Å; A381-F387 HydrophobicContact CB-CE1 3.67Å; A381-F387 HydrophobicContact CB-CE2 3.84Å; A381-F387 HydrophobicContact CB-CG 3.97Å; A381-F387 HydrophobicContact CB-CZ 3.7Å; A381-F387 PolarHBondContact N-O 3.43Å; A381-F387 PolarHBondContact O-N 3.47Å; V385-F387 HydrophobicContact CB-CD1 4.46Å; V385-F387 HydrophobicContact CG1-CD1 4.02Å; F387-V441 HydrophobicContact CB-CG1 4.39Å; F387-V441 HydrophobicContact CD2-CG1 3.76Å; F387-V441 HydrophobicContact CE2-CG1 4.17Å; F387-V441 HydrophobicContact CG-CG1 4.19Å; F387-D442 CarbonylContact C-O 3.53Å; F387-D442 WeakPolarHBondContact CA-O 3.37Å; F387-D442 WeakPolarHBondContact CB-O 3.47Å; F387-I464 HydrophobicContact CD1-CG1 4.08Å; F387-I464 HydrophobicContact CE1-CB 4.15Å; F387-I464 HydrophobicContact CE1-CG1 3.78Å; F387-I464 HydrophobicContact CE1-CG2 4.14Å; F387-I464 HydrophobicContact CZ-CB 4.47Å; F387-I464 HydrophobicContact CZ-CG2 4.04Å; F387-K467 HydrophobicContact CE1-CB 4.31Å; F387-K467 HydrophobicContact CE1-CD 3.78Å; F387-K467 HydrophobicContact CZ-CB 3.9Å; F387-K467 HydrophobicContact CZ-CD 4.11Å; F387-L468 HydrophobicContact CE2-CD2 4.22Å
388	K	93.1	Very high	90.8	Very high	53 Å²	53	36.2 Å²	36.2	23%	0.23	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.7	169.2	-54.5	-175.3	-168.8	176.1	0	108.3	W347 Q348 T380 D442	W347-K388 WeakPolarHBondContact O-CD 3.41Å; Q348-K388 PolarHBondContact O-NZ 3.23Å; T380-K388 HydrophobicContact CG2-CG 4.34Å; K388-D442 PolarHBondContact N-O 3.09Å; K388-D442 PolarHBondContact O-N 3.29Å
389	S	93.9	Very high	90.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	144.4	-180	-178.7	0	0	0	0	112.1	F379 V440	F379-S389 PolarHBondContact N-O 3.02Å; F379-S389 PolarHBondContact O-N 3.08Å; S389-V440 VanDerWaalsContact CA-O 3.28Å; S389-V440 WeakPolarHBondContact CA-O 3.46Å; S389-V440 WeakPolarHBondContact CB-O 3.44Å; S389-V440 PolarHBondContact OG-O 2.88Å
390	I	94.9	Very high	89.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.8	167.3	-53.7	170.6	0	0	0	107.7	I346 W347 Y359 I377 H378 F392 G439 V440	I346-I390 HydrophobicContact CD1-CD1 3.56Å; I346-I390 HydrophobicContact CG1-CD1 3.61Å; W347-I390 HydrophobicContact CB-CD1 3.67Å; W347-I390 HydrophobicContact CB-CG1 3.89Å; Y359-I390 HydrophobicContact CD1-CD1 4.31Å; Y359-I390 HydrophobicContact CD1-CG2 4.22Å; Y359-I390 HydrophobicContact CE1-CD1 3.91Å; Y359-I390 HydrophobicContact CE1-CG2 4.33Å; I377-I390 WeakPolarHBondContact O-CA 3.45Å; H378-I390 HydrophobicContact CB-CG1 3.97Å; I390-F392 HydrophobicContact CB-CE2 4.17Å; I390-F392 HydrophobicContact CG2-CD2 4.12Å; I390-F392 HydrophobicContact CG2-CE1 4.21Å; I390-F392 HydrophobicContact CG2-CE2 3.41Å; I390-F392 VanDerWaalsContact CG2-CE2 3.41Å; I390-F392 HydrophobicContact CG2-CZ 3.47Å; I390-F392 VanDerWaalsContact CG2-CZ 3.47Å; I390-G439 CarbonylContact O-C 3.57Å; I390-G439 VanDerWaalsContact O-CA 3.23Å; I390-G439 WeakPolarHBondContact O-CA 3.27Å; I390-V440 HydrophobicContact CB-CG2 4.19Å; I390-V440 PolarHBondContact N-O 3.42Å; I390-V440 PolarHBondContact O-N 2.9Å
391	L	95.4	Very high	89.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.9	175.8	-56.8	177.1	0	0	0	109.9	H376 I377 F379 I413 I437 L468 T472 M475	H376-L391 CarbonylContact C-O 3.47Å; H376-L391 VanDerWaalsContact CA-O 3.29Å; H376-L391 WeakPolarHBondContact CA-O 3.24Å; I377-L391 HydrophobicContact CG2-CB 3.97Å; I377-L391 PolarHBondContact N-O 3.37Å; I377-L391 PolarHBondContact O-N 2.92Å; F379-L391 HydrophobicContact CE1-CD1 4.21Å; F379-L391 HydrophobicContact CE1-CG 4.43Å; L391-I413 HydrophobicContact CD2-CD1 4.1Å; L391-I437 HydrophobicContact CB-CG2 4.07Å; L391-I437 HydrophobicContact CD2-CG2 4.19Å; L391-L468 HydrophobicContact CD1-CD2 3.94Å; L391-L468 HydrophobicContact CD2-CD2 4.16Å; L391-L468 HydrophobicContact CG-CD2 4.42Å; L391-T472 WeakPolarHBondContact CD1-OG1 3.19Å; L391-M475 HydrophobicContact CB-CE 4.19Å
392	F	95.6	Very high	89.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.2	-175.6	-62.7	-90.7	0	0	0	111	Y359 F362 Y363 P373 A375 H376 I390 K438	Y359-F392 HydrophobicContact CD1-CZ 4.49Å; F362-F392 AromaticContact CD1-CE2 3.87Å; F362-F392 HydrophobicContact CD1-CE2 3.87Å; F362-F392 AromaticContact CD1-CZ 3.76Å; F362-F392 HydrophobicContact CD1-CZ 3.76Å; F362-F392 AromaticContact CE1-CE2 3.94Å; F362-F392 HydrophobicContact CE1-CE2 3.94Å; F362-F392 HydrophobicContact CE1-CZ 4.31Å; Y363-F392 HydrophobicContact CD2-CB 3.56Å; Y363-F392 AromaticContact CD2-CD1 3.6Å; Y363-F392 HydrophobicContact CD2-CD1 3.6Å; Y363-F392 AromaticContact CD2-CD2 3.96Å; Y363-F392 HydrophobicContact CD2-CD2 3.96Å; Y363-F392 HydrophobicContact CD2-CE1 4.2Å; Y363-F392 AromaticContact CD2-CG 3.45Å; Y363-F392 HydrophobicContact CD2-CG 3.45Å; Y363-F392 VanDerWaalsContact CD2-CG 3.45Å; Y363-F392 HydrophobicContact CE2-CB 3.56Å; Y363-F392 HydrophobicContact CE2-CD1 4.42Å; Y363-F392 HydrophobicContact CE2-CG 4.02Å; Y363-F392 HydrophobicContact CG-CD1 4.16Å; Y363-F392 HydrophobicContact CG-CE1 4.47Å; Y363-F392 HydrophobicContact CG-CG 4.42Å; P373-F392 HydrophobicContact CB-CB 4.3Å; P373-F392 HydrophobicContact CB-CD1 3.79Å; P373-F392 HydrophobicContact CG-CD1 3.83Å; P373-F392 HydrophobicContact CG-CE1 4.24Å; A375-F392 WeakPolarHBondContact O-CA 3.29Å; H376-F392 HydrophobicContact CB-CD1 3.52Å; H376-F392 HydrophobicContact CB-CE1 3.66Å; H376-F392 HydrophobicContact CB-CG 4.39Å; I390-F392 HydrophobicContact CB-CE2 4.17Å; I390-F392 HydrophobicContact CG2-CD2 4.12Å; I390-F392 HydrophobicContact CG2-CE1 4.21Å; I390-F392 HydrophobicContact CG2-CE2 3.41Å; I390-F392 VanDerWaalsContact CG2-CE2 3.41Å; I390-F392 HydrophobicContact CG2-CZ 3.47Å; I390-F392 VanDerWaalsContact CG2-CZ 3.47Å; F392-K438 PolarHBondContact N-O 3.48Å; F392-K438 PolarHBondContact O-N 3.32Å; F392-K438 VanDerWaalsContact O-N 3.13Å
393	I	95.2	Very high	89.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.1	168.1	-55.5	-179.3	0	0	0	107.5	P373 L374 A375 F436 I437 M475 I476 I479 F488 F492	P373-I393 CarbonylContact C-O 3.57Å; P373-I393 WeakPolarHBondContact CA-O 3.39Å; L374-I393 HydrophobicContact CB-CB 4.48Å; L374-I393 HydrophobicContact CB-CG2 4.32Å; L374-I393 HydrophobicContact CD2-CG2 4.3Å; L374-I393 PolarHBondContact N-O 2.63Å; A375-I393 HydrophobicContact CB-CB 4.49Å; A375-I393 HydrophobicContact CB-CD1 4.12Å; A375-I393 HydrophobicContact CB-CG1 4.42Å; A375-I393 PolarHBondContact O-N 2.94Å; I393-F436 HydrophobicContact CG2-CD2 4.47Å; I393-F436 HydrophobicContact CG2-CE2 4.18Å; I393-I437 HydrophobicContact CG1-CD1 3.92Å; I393-M475 HydrophobicContact CD1-CE 3.95Å; I393-M475 HydrophobicContact CD1-CG 4.09Å; I393-M475 HydrophobicContact CD1-SD 4.16Å; I393-M475 HydrophobicContact CG1-CE 3.6Å; I393-M475 HydrophobicContact CG1-SD 3.97Å; I393-I476 HydrophobicContact CD1-CG1 3.66Å; I393-I479 HydrophobicContact CD1-CD1 3.98Å; I393-F488 HydrophobicContact CD1-CD2 4.27Å; I393-F488 HydrophobicContact CD1-CE2 3.98Å; I393-F488 HydrophobicContact CG2-CD2 3.99Å; I393-F488 HydrophobicContact CG2-CE2 3.99Å; I393-F492 HydrophobicContact CG2-CD2 4.22Å; I393-F492 HydrophobicContact CG2-CE2 3.89Å
394	P	94.1	Very high	89	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.246	C	C	.	.			trans	-61.8	151.2	171.5	22.3	-28.5	0	0	0	111.8	Y363 S396 F436 F492	Y363-P394 WeakPolarHBondContact OH-CA 3.44Å; Y363-P394 VanDerWaalsContact OH-CB 3.29Å; Y363-P394 WeakPolarHBondContact OH-CB 3.34Å; P394-S396 VanDerWaalsContact C-N 3.35Å; P394-S396 WeakPolarHBondContact CB-O 3.44Å; P394-F436 VanDerWaalsContact CD-O 3.27Å; P394-F436 WeakPolarHBondContact CD-O 3.37Å; P394-F436 WeakPolarHBondContact CG-O 3.49Å; P394-F492 HydrophobicContact CG-CE1 4.42Å; P394-F492 HydrophobicContact CG-CZ 3.85Å; P394-F492 WeakPolarHBondContact O-CE2 3.31Å
395	T	92.6	Very high	89.1	Confident	40 Å²	40	45.1 Å²	45.1	25%	0.245	23%	0.227	C	C	.	.	S	Bend	trans	-71.5	-28	178.4	-74.4	0	0	0	0	113.4	D372 L374	D372-T395 WeakPolarHBondContact O-CB 3.39Å; D372-T395 PolarHBondContact O-OG1 3.33Å; L374-T395 PolarHBondContact N-OG1 2.99Å
396	S	90.9	Very high	88.6	Confident	64 Å²	64	45.8 Å²	45.8	45%	0.448	24%	0.235	S	C	.	.	S	Bend	trans	-130	156.3	172.2	-66.4	0	0	0	0	111.8	P394 E491	P394-S396 VanDerWaalsContact C-N 3.35Å; P394-S396 WeakPolarHBondContact CB-O 3.44Å; S396-E491 VanDerWaalsContact CA-OE2 3.28Å; S396-E491 WeakPolarHBondContact CA-OE2 3.21Å
397	A	90.2	Very high	88.1	Confident	34 Å²	34	47.1 Å²	47.1	28%	0.281	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-64.4	129.5	176.9	0	0	0	0	0	111	R399 L401 E491 F492	A397-R399 PolarHBondContact O-N 3.31Å; A397-L401 HydrophobicContact CB-CD2 4.13Å; A397-E491 HydrophobicContact CB-CB 4.41Å; A397-E491 PolarHBondContact N-OE2 2.97Å; A397-F492 HydrophobicContact CB-CE1 4.03Å
398	P	86	Confident	87.4	Confident	24 Å²	24	50.4 Å²	50.4	16%	0.156	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-55.7	139.9	175.1	-27.5	35.5	0	0	0	112.4	G400 L401 Y412	P398-G400 PolarHBondContact O-N 3.39Å; P398-G400 VanDerWaalsContact O-N 3.15Å; P398-L401 WeakPolarHBondContact O-CB 3.37Å; P398-L401 PolarHBondContact O-N 2.93Å; P398-L401 VanDerWaalsContact O-N 3.09Å; P398-Y412 HydrophobicContact CB-CE2 4.37Å; P398-Y412 VanDerWaalsContact CB-OH 3.29Å; P398-Y412 WeakPolarHBondContact CB-OH 3.35Å; P398-Y412 HydrophobicContact CG-CE2 3.97Å
399	R	84.4	Confident	86.3	Confident	250 Å²	250	54.5 Å²	54.5	94%	0.943	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	122.6	175.5	-68.5	-175.7	-178.5	175.9	1.8	109.3	A397	A397-R399 PolarHBondContact O-N 3.31Å
400	G	83	Confident	85.3	Confident	20 Å²	20	55.1 Å²	55.1	21%	0.206	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	29	-178.5	0	0	0	0	0	115.7	P398 F402 D403 K408	P398-G400 PolarHBondContact O-N 3.39Å; P398-G400 VanDerWaalsContact O-N 3.15Å; G400-F402 PolarHBondContact O-N 3.27Å; G400-D403 WeakPolarHBondContact CA-OD1 3.47Å; G400-D403 WeakPolarHBondContact CA-OD2 3.45Å; G400-D403 PolarHBondContact O-N 3.38Å; G400-K408 PolarHBondContact O-NZ 3.24Å
401	L	84.7	Confident	84.6	Confident	7 Å²	7	59 Å²	59	4%	0.037	30%	0.302	C	S	.	.	S	Bend	trans	-58.9	-28.2	177	-176.2	63.6	0	0	0	114.2	A397 P398 N435 F436 F492	A397-L401 HydrophobicContact CB-CD2 4.13Å; P398-L401 WeakPolarHBondContact O-CB 3.37Å; P398-L401 PolarHBondContact O-N 2.93Å; P398-L401 VanDerWaalsContact O-N 3.09Å; L401-N435 WeakPolarHBondContact CD1-OD1 3.49Å; L401-N435 PolarHBondContact O-ND2 3.12Å; L401-F436 HydrophobicContact CD1-CB 3.86Å; L401-F436 HydrophobicContact CD2-CB 4.03Å; L401-F492 HydrophobicContact CD2-CD1 4.37Å; L401-F492 HydrophobicContact CD2-CE1 4.32Å
402	F	85.5	Confident	84.2	Confident	83 Å²	83	61 Å²	61	36%	0.364	31%	0.31	S	S	.	.	S	Bend	trans	-108.9	-3	179.9	-60.6	-67.8	0	0	0	113.9	G400 E404 Y405 T494 N495 L498	G400-F402 PolarHBondContact O-N 3.27Å; F402-E404 PolarHBondContact O-N 2.81Å; F402-Y405 AromaticContact CD1-CD2 3.97Å; F402-Y405 HydrophobicContact CD1-CD2 3.97Å; F402-Y405 HydrophobicContact CD1-CE2 4.49Å; F402-Y405 WeakPolarHBondContact O-CB 3.21Å; F402-Y405 PolarHBondContact O-N 3.23Å; F402-T494 HydrophobicContact CE1-CG2 4.03Å; F402-T494 HydrophobicContact CE2-CG2 4.3Å; F402-T494 HydrophobicContact CZ-CG2 3.7Å; F402-N495 VanDerWaalsContact CZ-OD1 3.26Å; F402-N495 WeakPolarHBondContact CZ-OD1 3.19Å; F402-L498 HydrophobicContact CD1-CD1 4.44Å; F402-L498 HydrophobicContact CE1-CD1 3.88Å
403	D	84.1	Confident	83.9	Confident	95 Å²	95	61 Å²	61	51%	0.508	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	128.4	172.8	-51.2	-12.6	0	0	0	108.2	G400 Y405 K408	G400-D403 WeakPolarHBondContact CA-OD1 3.47Å; G400-D403 WeakPolarHBondContact CA-OD2 3.45Å; G400-D403 PolarHBondContact O-N 3.38Å; D403-Y405 PolarHBondContact O-N 3.38Å; D403-K408 HydrophobicContact CB-CD 4.42Å; D403-K408 WeakPolarHBondContact O-CD 3.34Å; D403-K408 IonicContact OD2-NZ 2.73Å
404	E	79.1	Confident	83.6	Confident	142 Å²	142	63.3 Å²	63.3	66%	0.664	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	41.8	-177.5	-72.4	-173.9	-155.1	0	0	113	F402 G406 S407 K408	F402-E404 PolarHBondContact O-N 2.81Å; E404-G406 PolarHBondContact O-N 3.05Å; E404-S407 PolarHBondContact O-N 3.46Å; E404-S407 PolarHBondContact O-OG 3.13Å; E404-K408 HydrophobicContact CB-CB 3.98Å; E404-K408 PolarHBondContact O-N 3.04Å
405	Y	82.3	Confident	83.4	Confident	67 Å²	67	63.2 Å²	63.2	26%	0.263	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	108.1	-174.6	176.9	-100.6	0	0	0	112.6	F402 D403 K432 Y433 L498 E502	F402-Y405 AromaticContact CD1-CD2 3.97Å; F402-Y405 HydrophobicContact CD1-CD2 3.97Å; F402-Y405 HydrophobicContact CD1-CE2 4.49Å; F402-Y405 WeakPolarHBondContact O-CB 3.21Å; F402-Y405 PolarHBondContact O-N 3.23Å; D403-Y405 PolarHBondContact O-N 3.38Å; Y405-K432 HydrophobicContact CE1-CB 4.33Å; Y405-K432 HydrophobicContact CE2-CB 4.21Å; Y405-K432 WeakPolarHBondContact OH-CB 3.48Å; Y405-Y433 PolarHBondContact OH-N 2.89Å; Y405-L498 HydrophobicContact CE1-CD1 4.36Å; Y405-L498 HydrophobicContact CE2-CD1 4.08Å; Y405-E502 WeakPolarHBondContact CE1-OE1 3.38Å; Y405-E502 PolarHBondContact OH-OE1 2.85Å
406	G	76.1	Confident	83.3	Confident	20 Å²	20	61.6 Å²	61.6	21%	0.206	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	9.1	177.4	0	0	0	0	0	116.5	E404 K432	E404-G406 PolarHBondContact O-N 3.05Å; G406-K432 VanDerWaalsContact CA-CE 3.4Å; G406-K432 WeakPolarHBondContact O-CE 3.41Å; G406-K432 PolarHBondContact O-NZ 3.36Å
407	S	76.8	Confident	83.1	Confident	84 Å²	84	58.9 Å²	58.9	59%	0.587	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-33.5	157.1	49.9	0	0	0	0	112	E404 K409	E404-S407 PolarHBondContact O-N 3.46Å; E404-S407 PolarHBondContact O-OG 3.13Å; S407-K409 PolarHBondContact O-N 2.84Å
408	K	76.7	Confident	82.9	Confident	75 Å²	75	59.4 Å²	59.4	33%	0.326	29%	0.285	S	S	.	.	S	Bend	trans	-56.9	128.9	171.8	-167.4	169	179.3	175.3	0	111	G400 D403 E404	G400-K408 PolarHBondContact O-NZ 3.24Å; D403-K408 HydrophobicContact CB-CD 4.42Å; D403-K408 WeakPolarHBondContact O-CD 3.34Å; D403-K408 IonicContact OD2-NZ 2.73Å; E404-K408 HydrophobicContact CB-CB 3.98Å; E404-K408 PolarHBondContact O-N 3.04Å
409	K	70	Confident	82.9	Confident	139 Å²	139	59.7 Å²	59.7	60%	0.604	28%	0.283	S	S	*	.			trans	-85.2	126.2	169.8	-64.6	-162.1	-179.3	-162.6	0	109.2	S407 D425	S407-K409 PolarHBondContact O-N 2.84Å; K409-D425 IonicContact NZ-OD2 2.84Å; K409-D425 PolarHBondContact NZ-OD2 2.8Å
410	N	72.8	Confident	83	Confident	13 Å²	13	48 Å²	48	7%	0.07	24%	0.239	C	C	.	.			trans	-104.4	130.1	174.3	-68.7	10.5	0	0	0	109.2	Y412 F426 N435	N410-Y412 VanDerWaalsContact C-N 3.25Å; N410-Y412 HydrophobicContact CB-CD1 4.47Å; N410-Y412 HydrophobicContact CB-CD2 4.11Å; N410-Y412 HydrophobicContact CB-CE2 4.23Å; N410-Y412 HydrophobicContact CB-CG 4.22Å; N410-Y412 PolarHBondContact O-N 3.4Å; N410-F426 WeakPolarHBondContact O-CB 3.28Å; N410-N435 PolarHBondContact ND2-O 2.73Å
411	D	80.3	Confident	83.2	Confident	80 Å²	80	47.5 Å²	47.5	43%	0.428	23%	0.231	S	C	.	.			trans	-86.9	11.5	-176.4	71.5	-47.3	0	0	0	113.7	I413 K414 D424	D411-I413 PolarHBondContact O-N 2.92Å; D411-K414 WeakPolarHBondContact O-CE 3.38Å; D411-K414 IonicContact OD2-NZ 2.66Å; D411-D424 HydrophobicContact CB-CB 4.35Å
412	Y	87.6	Confident	83.4	Confident	44 Å²	44	47.6 Å²	47.6	17%	0.173	23%	0.232	C	C	.	.			trans	-70.7	-24.9	-164	-60.7	-12.8	0	0	0	114.6	P398 N410 N435 I437 K438 G439	P398-Y412 HydrophobicContact CB-CE2 4.37Å; P398-Y412 VanDerWaalsContact CB-OH 3.29Å; P398-Y412 WeakPolarHBondContact CB-OH 3.35Å; P398-Y412 HydrophobicContact CG-CE2 3.97Å; N410-Y412 VanDerWaalsContact C-N 3.25Å; N410-Y412 HydrophobicContact CB-CD1 4.47Å; N410-Y412 HydrophobicContact CB-CD2 4.11Å; N410-Y412 HydrophobicContact CB-CE2 4.23Å; N410-Y412 HydrophobicContact CB-CG 4.22Å; N410-Y412 PolarHBondContact O-N 3.4Å; Y412-N435 WeakPolarHBondContact CD2-O 3.44Å; Y412-N435 VanDerWaalsContact CE2-O 3.24Å; Y412-N435 WeakPolarHBondContact CE2-O 3.35Å; Y412-I437 WeakPolarHBondContact CB-O 3.42Å; Y412-K438 HydrophobicContact CG-CG 4.35Å; Y412-K438 CarbonylContact O-C 3.12Å; Y412-K438 VanDerWaalsContact O-CA 3.27Å; Y412-K438 WeakPolarHBondContact O-CA 3.23Å; Y412-G439 PolarHBondContact O-N 2.85Å
413	I	89.7	Confident	83.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.2	173.7	-63.5	176.9	0	0	0	109.2	L391 D411 F426 M430 I437 G439 V441	L391-I413 HydrophobicContact CD2-CD1 4.1Å; D411-I413 PolarHBondContact O-N 2.92Å; I413-F426 HydrophobicContact CB-CD2 4.13Å; I413-F426 HydrophobicContact CB-CE2 4.3Å; I413-F426 HydrophobicContact CD1-CD2 4.23Å; I413-F426 HydrophobicContact CD1-CE2 3.6Å; I413-F426 HydrophobicContact CD1-CZ 4.42Å; I413-F426 HydrophobicContact CG1-CD2 4.22Å; I413-F426 HydrophobicContact CG1-CE2 3.88Å; I413-M430 HydrophobicContact CD1-CE 4.29Å; I413-M430 HydrophobicContact CD1-CG 3.74Å; I413-I437 HydrophobicContact CD1-CB 4.44Å; I413-I437 HydrophobicContact CD1-CG2 4.04Å; I413-I437 WeakPolarHBondContact CG1-O 3.46Å; I413-G439 WeakPolarHBondContact CA-O 3.38Å; I413-V441 HydrophobicContact CG2-CG2 4Å
414	K	89.3	Confident	83.3	Confident	47 Å²	47	43.9 Å²	43.9	20%	0.204	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.7	-177.1	-65.8	179.2	-176.2	169.8	0	110.2	F366 D411 F416 F421 D424 G439 V441	F366-K414 HydrophobicContact CE2-CB 4.49Å; F366-K414 HydrophobicContact CE2-CD 3.98Å; F366-K414 HydrophobicContact CZ-CB 4.24Å; F366-K414 HydrophobicContact CZ-CD 3.93Å; F366-K414 HydrophobicContact CZ-CG 4.15Å; D411-K414 WeakPolarHBondContact O-CE 3.38Å; D411-K414 IonicContact OD2-NZ 2.66Å; K414-F416 HydrophobicContact CB-CD2 4.4Å; K414-F416 HydrophobicContact CB-CE2 3.55Å; K414-F416 HydrophobicContact CB-CZ 4Å; K414-F416 WeakPolarHBondContact O-CD2 3.47Å; K414-F421 HydrophobicContact CB-CD2 4.1Å; K414-F421 HydrophobicContact CB-CE2 3.83Å; K414-F421 HydrophobicContact CD-CE2 4.24Å; K414-F421 HydrophobicContact CG-CE2 3.9Å; K414-D424 HydrophobicContact CG-CB 4.41Å; K414-G439 PolarHBondContact N-O 3.04Å; K414-G439 VanDerWaalsContact N-O 3.16Å; K414-V441 PolarHBondContact O-N 3.11Å; K414-V441 VanDerWaalsContact O-N 3.1Å
415	L	89.6	Confident	83.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	122.2	175	-178.1	65.4	0	0	0	109.8	I422 T423 M429 V441 L446 L455	L415-I422 PolarHBondContact O-N 2.96Å; L415-T423 HydrophobicContact CB-CG2 4.14Å; L415-T423 WeakPolarHBondContact CB-O 3.49Å; L415-T423 HydrophobicContact CD2-CG2 4.08Å; L415-T423 PolarHBondContact N-O 2.98Å; L415-T423 PolarHBondContact O-N 3.18Å; L415-M429 HydrophobicContact CB-CE 4.21Å; L415-M429 HydrophobicContact CB-SD 3.95Å; L415-M429 HydrophobicContact CD2-SD 4.39Å; L415-V441 HydrophobicContact CD1-CB 3.98Å; L415-V441 HydrophobicContact CD1-CG1 3.82Å; L415-L446 HydrophobicContact CD1-CD1 4.14Å; L415-L455 HydrophobicContact CD2-CD1 4.01Å; L415-L455 HydrophobicContact CD2-CG 4.36Å
416	F	89.6	Confident	82.6	Confident	5 Å²	5	36.8 Å²	36.8	2%	0.022	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.2	171.4	-61.4	-90.8	0	0	0	109.6	F276 K414 R419 V420 F421 V440 V441 D442 S443	F276-F416 HydrophobicContact CD2-CD1 4.27Å; F276-F416 AromaticContact CD2-CE1 3.57Å; F276-F416 HydrophobicContact CD2-CE1 3.57Å; F276-F416 HydrophobicContact CD2-CE2 4.42Å; F276-F416 AromaticContact CD2-CZ 3.67Å; F276-F416 HydrophobicContact CD2-CZ 3.67Å; F276-F416 HydrophobicContact CE2-CE1 4.04Å; F276-F416 HydrophobicContact CE2-CE2 4.33Å; F276-F416 AromaticContact CE2-CZ 3.64Å; F276-F416 HydrophobicContact CE2-CZ 3.64Å; K414-F416 HydrophobicContact CB-CD2 4.4Å; K414-F416 HydrophobicContact CB-CE2 3.55Å; K414-F416 HydrophobicContact CB-CZ 4Å; K414-F416 WeakPolarHBondContact O-CD2 3.47Å; F416-R419 WeakPolarHBondContact CD1-O 3.32Å; F416-V420 VanDerWaalsContact CA-O 3.25Å; F416-V420 WeakPolarHBondContact CA-O 3.35Å; F416-F421 HydrophobicContact CD1-CB 4.04Å; F416-F421 HydrophobicContact CE1-CB 3.69Å; F416-F421 HydrophobicContact CE1-CD2 4.15Å; F416-F421 HydrophobicContact CE1-CG 4.39Å; F416-F421 HydrophobicContact CZ-CB 4.48Å; F416-F421 HydrophobicContact CZ-CD2 4.17Å; F416-V440 HydrophobicContact CD2-CB 4.46Å; F416-V440 HydrophobicContact CD2-CG1 4.5Å; F416-V440 HydrophobicContact CE2-CB 4.37Å; F416-V440 HydrophobicContact CE2-CG1 3.94Å; F416-V441 PolarHBondContact N-O 2.92Å; F416-D442 HydrophobicContact CB-CB 4.12Å; F416-D442 WeakPolarHBondContact CB-OD1 3.46Å; F416-D442 WeakPolarHBondContact O-CA 3.19Å; F416-S443 PolarHBondContact O-N 2.61Å
417	V	88.1	Confident	82.4	Confident	8 Å²	8	39.2 Å²	39.2	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122	165.9	171.2	0	0	0	0	107.4	R419 V420 I422 S443 L446 L448	V417-R419 PolarHBondContact O-N 3.48Å; V417-V420 PolarHBondContact N-O 3.32Å; V417-V420 PolarHBondContact O-N 2.86Å; V417-V420 VanDerWaalsContact O-N 3.1Å; V417-I422 HydrophobicContact CB-CD1 4.19Å; V417-I422 HydrophobicContact CB-CG1 3.88Å; V417-I422 HydrophobicContact CG2-CG1 3.88Å; V417-S443 CarbonylContact C-O 3.52Å; V417-S443 VanDerWaalsContact CA-O 3.23Å; V417-S443 WeakPolarHBondContact CA-O 3.29Å; V417-S443 WeakPolarHBondContact CG1-O 3.43Å; V417-L446 HydrophobicContact CG2-CB 3.78Å; V417-L446 HydrophobicContact CG2-CD1 3.99Å; V417-L446 HydrophobicContact CG2-CG 4.49Å; V417-L448 HydrophobicContact CB-CD1 4.28Å; V417-L448 HydrophobicContact CB-CD2 4.12Å; V417-L448 HydrophobicContact CB-CG 4.43Å; V417-L448 HydrophobicContact CG1-CD1 3.96Å; V417-L448 HydrophobicContact CG1-CD2 4.31Å; V417-L448 HydrophobicContact CG1-CG 4.11Å; V417-L448 HydrophobicContact CG2-CD2 3.9Å
418	R	84.9	Confident	82.1	Confident	45 Å²	45	37.5 Å²	37.5	17%	0.17	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	47	-169.8	-57.5	-179.9	-172	-147.9	-13.2	111.5	L191 I192 V420 D442 S443 D444	L191-R418 VanDerWaalsContact O-CD 3.26Å; L191-R418 WeakPolarHBondContact O-CD 3.36Å; L191-R418 PolarHBondContact O-NH1 2.95Å; I192-R418 HydrophobicContact CG1-CB 4.3Å; R418-V420 PolarHBondContact O-N 3.16Å; R418-D442 PolarHBondContact N-OD1 3.1Å; R418-S443 PolarHBondContact N-O 3.22Å; R418-D444 HydrophobicContact CG-CB 4.29Å; R418-D444 VanDerWaalsContact CZ-O 3.24Å; R418-D444 PolarHBondContact NE-O 3.42Å; R418-D444 PolarHBondContact NH2-O 2.99Å
419	R	86.7	Confident	82.1	Confident	30 Å²	30	34 Å²	34	11%	0.113	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-0.6	-178.8	-50	168.6	-163.4	157.6	9.9	116.5	E190 F276 F416 V417 D442	E190-R419 IonicContact OE1-CZ 3.76Å; E190-R419 IonicContact OE1-NH1 2.99Å; E190-R419 PolarHBondContact OE1-NH1 3.49Å; E190-R419 IonicContact OE1-NH2 3.2Å; E190-R419 PolarHBondContact OE1-NH2 3.26Å; F276-R419 HydrophobicContact CB-CB 4.26Å; F276-R419 WeakPolarHBondContact O-CB 3.37Å; F276-R419 WeakPolarHBondContact O-CD 3.3Å; F416-R419 WeakPolarHBondContact CD1-O 3.32Å; V417-R419 PolarHBondContact O-N 3.48Å; R419-D442 WeakPolarHBondContact CG-OD2 2.81Å; R419-D442 PolarHBondContact N-OD1 3.24Å
420	V	85.5	Confident	83	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.9	173.8	-179.6	0	0	0	0	110.1	R102 I192 F416 V417 R418 I422	R102-V420 HydrophobicContact CG-CG1 3.77Å; I192-V420 HydrophobicContact CD1-CG2 3.67Å; I192-V420 HydrophobicContact CG1-CG2 4.17Å; I192-V420 HydrophobicContact CG2-CG2 4.17Å; F416-V420 VanDerWaalsContact CA-O 3.25Å; F416-V420 WeakPolarHBondContact CA-O 3.35Å; V417-V420 PolarHBondContact N-O 3.32Å; V417-V420 PolarHBondContact O-N 2.86Å; V417-V420 VanDerWaalsContact O-N 3.1Å; R418-V420 PolarHBondContact O-N 3.16Å; V420-I422 PolarHBondContact O-N 2.64Å
421	F	88.9	Confident	83.8	Confident	11 Å²	11	28.2 Å²	28.2	5%	0.048	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.9	178.8	177.7	-113.4	0	0	0	111.7	K272 Y273 K414 F416 T423 D424	K272-F421 HydrophobicContact CG-CD1 4.5Å; K272-F421 WeakPolarHBondContact O-CB 3.29Å; Y273-F421 HydrophobicContact CD1-CB 4.33Å; Y273-F421 AromaticContact CD1-CD1 3.82Å; Y273-F421 HydrophobicContact CD1-CD1 3.82Å; Y273-F421 AromaticContact CE1-CD1 3.84Å; Y273-F421 HydrophobicContact CE1-CD1 3.84Å; Y273-F421 HydrophobicContact CE1-CE1 4.41Å; Y273-F421 PolarHBondContact O-N 3.08Å; K414-F421 HydrophobicContact CB-CD2 4.1Å; K414-F421 HydrophobicContact CB-CE2 3.83Å; K414-F421 HydrophobicContact CD-CE2 4.24Å; K414-F421 HydrophobicContact CG-CE2 3.9Å; F416-F421 HydrophobicContact CD1-CB 4.04Å; F416-F421 HydrophobicContact CE1-CB 3.69Å; F416-F421 HydrophobicContact CE1-CD2 4.15Å; F416-F421 HydrophobicContact CE1-CG 4.39Å; F416-F421 HydrophobicContact CZ-CB 4.48Å; F416-F421 HydrophobicContact CZ-CD2 4.17Å; F421-T423 VanDerWaalsContact CE2-C 3.45Å; F421-T423 WeakPolarHBondContact CE2-O 3.41Å; F421-D424 HydrophobicContact CE2-CB 4.2Å; F421-D424 HydrophobicContact CZ-CB 3.9Å
422	I	87.6	Confident	84.3	Confident	9 Å²	9	28.8 Å²	28.8	5%	0.046	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-55.4	-179.4	-53.6	-57	0	0	0	111	L415 V417 V420 L448 R452	L415-I422 PolarHBondContact O-N 2.96Å; V417-I422 HydrophobicContact CB-CD1 4.19Å; V417-I422 HydrophobicContact CB-CG1 3.88Å; V417-I422 HydrophobicContact CG2-CG1 3.88Å; V420-I422 PolarHBondContact O-N 2.64Å; I422-L448 HydrophobicContact CD1-CD1 3.92Å; I422-L448 HydrophobicContact CD1-CD2 3.64Å; I422-L448 HydrophobicContact CD1-CG 4.46Å; I422-L448 HydrophobicContact CG1-CD2 3.82Å; I422-L448 HydrophobicContact CG2-CD2 3.93Å; I422-R452 HydrophobicContact CD1-CB 4.42Å
423	T	85.3	Confident	84.5	Confident	35 Å²	35	26.7 Å²	26.7	22%	0.215	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	157.1	-175.2	-172.1	0	0	0	0	112.5	L415 F421 D425	L415-T423 HydrophobicContact CB-CG2 4.14Å; L415-T423 WeakPolarHBondContact CB-O 3.49Å; L415-T423 HydrophobicContact CD2-CG2 4.08Å; L415-T423 PolarHBondContact N-O 2.98Å; L415-T423 PolarHBondContact O-N 3.18Å; F421-T423 VanDerWaalsContact CE2-C 3.45Å; F421-T423 WeakPolarHBondContact CE2-O 3.41Å; T423-D425 PolarHBondContact OG1-N 3.15Å
424	D	83.5	Confident	84.7	Confident	64 Å²	64	26.9 Å²	26.9	34%	0.342	13%	0.133	S	C	.	.			trans	-116.8	10.5	175	49.2	15.4	0	0	0	112.4	D411 K414 F421 F426	D411-D424 HydrophobicContact CB-CB 4.35Å; K414-D424 HydrophobicContact CG-CB 4.41Å; F421-D424 HydrophobicContact CE2-CB 4.2Å; F421-D424 HydrophobicContact CZ-CB 3.9Å; D424-F426 VanDerWaalsContact C-N 3.35Å; D424-F426 PolarHBondContact O-N 3.09Å
425	D	77.8	Confident	84.7	Confident	51 Å²	51	25.3 Å²	25.3	27%	0.273	13%	0.127	S	C	.	.			trans	-71.7	88.3	-177	-156.2	-31	0	0	0	112.5	K409 T423 N427	K409-D425 IonicContact NZ-OD2 2.84Å; K409-D425 PolarHBondContact NZ-OD2 2.8Å; T423-D425 PolarHBondContact OG1-N 3.15Å; D425-N427 PolarHBondContact O-N 3.34Å; D425-N427 VanDerWaalsContact O-N 3.16Å; D425-N427 PolarHBondContact OD1-N 3.22Å; D425-N427 PolarHBondContact OD1-ND2 3.17Å
426	F	68.2	Low	84.8	Confident	9 Å²	9	25.4 Å²	25.4	4%	0.039	13%	0.128	C	C	.	.	H	α-helix	trans	-56.1	-29.1	-176.1	-167.6	-86.7	0	0	0	114	N410 I413 D424 D428 M429 M430 L434 N435	N410-F426 WeakPolarHBondContact O-CB 3.28Å; I413-F426 HydrophobicContact CB-CD2 4.13Å; I413-F426 HydrophobicContact CB-CE2 4.3Å; I413-F426 HydrophobicContact CD1-CD2 4.23Å; I413-F426 HydrophobicContact CD1-CE2 3.6Å; I413-F426 HydrophobicContact CD1-CZ 4.42Å; I413-F426 HydrophobicContact CG1-CD2 4.22Å; I413-F426 HydrophobicContact CG1-CE2 3.88Å; D424-F426 VanDerWaalsContact C-N 3.35Å; D424-F426 PolarHBondContact O-N 3.09Å; F426-D428 VanDerWaalsContact C-N 3.31Å; F426-D428 PolarHBondContact O-N 3.15Å; F426-M429 PolarHBondContact O-N 3.28Å; F426-M430 HydrophobicContact CD1-CB 3.92Å; F426-M430 HydrophobicContact CD2-CB 4.36Å; F426-M430 HydrophobicContact CE1-CB 3.35Å; F426-M430 HydrophobicContact CE2-CB 3.86Å; F426-M430 HydrophobicContact CE2-CG 4.32Å; F426-M430 HydrophobicContact CG-CB 4.39Å; F426-M430 HydrophobicContact CZ-CB 3.3Å; F426-M430 HydrophobicContact CZ-CG 4.08Å; F426-M430 PolarHBondContact O-N 2.88Å; F426-L434 WeakPolarHBondContact CZ-O 3.14Å; F426-N435 HydrophobicContact CE1-CB 4.27Å
427	N	71.3	Confident	85	Confident	72 Å²	72	25.2 Å²	25.2	39%	0.385	13%	0.127	S	C	.	.	H	α-helix	trans	-60.1	-35.3	-167	-69.3	-75.2	0	0	0	114.3	D425	D425-N427 PolarHBondContact O-N 3.34Å; D425-N427 VanDerWaalsContact O-N 3.16Å; D425-N427 PolarHBondContact OD1-N 3.22Å; D425-N427 PolarHBondContact OD1-ND2 3.17Å
428	D	71.3	Confident	85.3	Confident	48 Å²	48	25.5 Å²	25.5	26%	0.257	13%	0.127	S	C	.	.	H	α-helix	trans	-91.1	-20.5	177.6	-124.2	-4.5	0	0	0	111.9	F426 H458 L461 R465	F426-D428 VanDerWaalsContact C-N 3.31Å; F426-D428 PolarHBondContact O-N 3.15Å; D428-H458 IonicContact OD2-CE1 3.06Å; D428-H458 IonicContact OD2-ND1 2.96Å; D428-H458 PolarHBondContact OD2-ND1 2.72Å; D428-L461 HydrophobicContact CB-CB 4.48Å; D428-L461 HydrophobicContact CB-CD1 4.05Å; D428-R465 WeakPolarHBondContact O-CD 3.38Å; D428-R465 PolarHBondContact O-NH1 3.35Å; D428-R465 IonicContact OD1-NH1 2.74Å; D428-R465 PolarHBondContact OD1-NH1 3.01Å
429	M	77.3	Confident	85.6	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-88.3	-33.4	-177.5	-69.8	-166.1	-73.9	0	0	114.4	L415 F426 L461 R465	L415-M429 HydrophobicContact CB-CE 4.21Å; L415-M429 HydrophobicContact CB-SD 3.95Å; L415-M429 HydrophobicContact CD2-SD 4.39Å; F426-M429 PolarHBondContact O-N 3.28Å; M429-L461 HydrophobicContact CG-CD2 3.78Å; M429-L461 HydrophobicContact SD-CD2 4.47Å; M429-R465 VanDerWaalsContact O-CA 3.23Å; M429-R465 WeakPolarHBondContact O-CA 3.4Å; M429-R465 WeakPolarHBondContact O-CB 3.27Å; M429-R465 WeakPolarHBondContact O-CG 2.97Å
430	M	87.6	Confident	85.9	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.015	11%	0.114	C	C	.	.	S	Bend	trans	-144.8	151.7	-176.5	-82.9	-72	-96.8	0	0	111.8	I413 F426 L434 I437 L468 V469 T472	I413-M430 HydrophobicContact CD1-CE 4.29Å; I413-M430 HydrophobicContact CD1-CG 3.74Å; F426-M430 HydrophobicContact CD1-CB 3.92Å; F426-M430 HydrophobicContact CD2-CB 4.36Å; F426-M430 HydrophobicContact CE1-CB 3.35Å; F426-M430 HydrophobicContact CE2-CB 3.86Å; F426-M430 HydrophobicContact CE2-CG 4.32Å; F426-M430 HydrophobicContact CG-CB 4.39Å; F426-M430 HydrophobicContact CZ-CB 3.3Å; F426-M430 HydrophobicContact CZ-CG 4.08Å; F426-M430 PolarHBondContact O-N 2.88Å; M430-L434 HydrophobicContact CE-CB 3.77Å; M430-L434 HydrophobicContact CE-CD1 3.65Å; M430-L434 HydrophobicContact CE-CG 4.34Å; M430-L434 HydrophobicContact SD-CD1 4.27Å; M430-I437 HydrophobicContact CE-CB 4.24Å; M430-I437 HydrophobicContact CE-CG1 4.18Å; M430-I437 HydrophobicContact CE-CG2 4.32Å; M430-L468 HydrophobicContact CG-CB 4.49Å; M430-L468 HydrophobicContact CG-CD1 4.2Å; M430-L468 HydrophobicContact SD-CB 3.68Å; M430-L468 HydrophobicContact SD-CD1 4.45Å; M430-V469 HydrophobicContact SD-CG2 3.76Å; M430-T472 HydrophobicContact CE-CG2 4.41Å; M430-T472 WeakPolarHBondContact CE-OG1 3.28Å
431	P	90.3	Very high	86.2	Confident	27 Å²	27	21.8 Å²	21.8	18%	0.175	11%	0.113	C	C	.	.			trans	-78	154.5	179.8	34.3	-36.1	0	0	0	111.6	Y433 L434 V469	P431-Y433 VanDerWaalsContact C-N 3.28Å; P431-Y433 HydrophobicContact CB-CD1 3.64Å; P431-Y433 HydrophobicContact CB-CE1 3.47Å; P431-Y433 VanDerWaalsContact CB-CE1 3.47Å; P431-Y433 HydrophobicContact CG-CD1 3.76Å; P431-Y433 HydrophobicContact CG-CE1 3.3Å; P431-Y433 PolarHBondContact O-N 3.4Å; P431-L434 HydrophobicContact CG-CB 4.26Å; P431-L434 HydrophobicContact CG-CD1 3.83Å; P431-L434 HydrophobicContact CG-CG 4.02Å; P431-L434 PolarHBondContact O-N 2.94Å; P431-V469 VanDerWaalsContact CD-CG2 3.43Å; P431-V469 HydrophobicContact CG-CG2 3.81Å
432	K	90.4	Very high	86.4	Confident	91 Å²	91	21.3 Å²	21.3	40%	0.396	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-54.9	-40.6	-175.4	-65.2	179.4	167.8	-167.3	0	113	Y405 G406 L434 N435	Y405-K432 HydrophobicContact CE1-CB 4.33Å; Y405-K432 HydrophobicContact CE2-CB 4.21Å; Y405-K432 WeakPolarHBondContact OH-CB 3.48Å; G406-K432 VanDerWaalsContact CA-CE 3.4Å; G406-K432 WeakPolarHBondContact O-CE 3.41Å; G406-K432 PolarHBondContact O-NZ 3.36Å; K432-L434 PolarHBondContact O-N 3.41Å; K432-L434 VanDerWaalsContact O-N 3.1Å; K432-N435 WeakPolarHBondContact O-CB 3.36Å; K432-N435 VanDerWaalsContact O-CG 3.26Å; K432-N435 PolarHBondContact O-N 2.71Å; K432-N435 VanDerWaalsContact O-N 3.09Å; K432-N435 PolarHBondContact O-OD1 2.93Å
433	Y	92.5	Very high	86.5	Confident	1 Å²	1	21 Å²	21	0%	0.004	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-63.1	-15.8	177.9	76.2	-91.4	0	0	0	114.9	Y405 P431 F436 N495 G499 D503 L510	Y405-Y433 PolarHBondContact OH-N 2.89Å; P431-Y433 VanDerWaalsContact C-N 3.28Å; P431-Y433 HydrophobicContact CB-CD1 3.64Å; P431-Y433 HydrophobicContact CB-CE1 3.47Å; P431-Y433 VanDerWaalsContact CB-CE1 3.47Å; P431-Y433 HydrophobicContact CG-CD1 3.76Å; P431-Y433 HydrophobicContact CG-CE1 3.3Å; P431-Y433 PolarHBondContact O-N 3.4Å; Y433-F436 WeakPolarHBondContact O-CE1 3.32Å; Y433-N495 VanDerWaalsContact O-CB 3.31Å; Y433-N495 WeakPolarHBondContact O-CB 3.39Å; Y433-N495 PolarHBondContact O-ND2 2.92Å; Y433-G499 VanDerWaalsContact CD2-CA 3.45Å; Y433-D503 HydrophobicContact CD1-CB 4.43Å; Y433-D503 HydrophobicContact CE1-CB 3.57Å; Y433-D503 PolarHBondContact OH-OD2 3.22Å; Y433-L510 HydrophobicContact CE2-CD1 4.1Å; Y433-L510 HydrophobicContact CE2-CD2 3.96Å
434	L	92.9	Very high	86.4	Confident	4 Å²	4	21 Å²	21	2%	0.021	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-103.5	17	175.9	-61.9	177.4	0	0	0	113.4	F426 M430 P431 K432 F436 I437 V469 T472 I476	F426-L434 WeakPolarHBondContact CZ-O 3.14Å; M430-L434 HydrophobicContact CE-CB 3.77Å; M430-L434 HydrophobicContact CE-CD1 3.65Å; M430-L434 HydrophobicContact CE-CG 4.34Å; M430-L434 HydrophobicContact SD-CD1 4.27Å; P431-L434 HydrophobicContact CG-CB 4.26Å; P431-L434 HydrophobicContact CG-CD1 3.83Å; P431-L434 HydrophobicContact CG-CG 4.02Å; P431-L434 PolarHBondContact O-N 2.94Å; K432-L434 PolarHBondContact O-N 3.41Å; K432-L434 VanDerWaalsContact O-N 3.1Å; L434-F436 HydrophobicContact CD2-CE1 3.98Å; L434-F436 HydrophobicContact CD2-CZ 4.09Å; L434-F436 PolarHBondContact O-N 3.39Å; L434-I437 HydrophobicContact CB-CG1 4.2Å; L434-I437 WeakPolarHBondContact O-CG1 3.31Å; L434-I437 PolarHBondContact O-N 2.83Å; L434-V469 HydrophobicContact CD1-CG1 4.3Å; L434-V469 HydrophobicContact CD1-CG2 4.14Å; L434-T472 HydrophobicContact CD1-CG2 4.07Å; L434-T472 HydrophobicContact CD2-CG2 4.17Å; L434-I476 HydrophobicContact CD2-CD1 4.45Å
435	N	90.6	Very high	86.2	Confident	14 Å²	14	23 Å²	23	8%	0.075	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	2	-176.9	72.9	-28	0	0	0	116.6	L401 N410 Y412 F426 K432 N495	L401-N435 WeakPolarHBondContact CD1-OD1 3.49Å; L401-N435 PolarHBondContact O-ND2 3.12Å; N410-N435 PolarHBondContact ND2-O 2.73Å; Y412-N435 WeakPolarHBondContact CD2-O 3.44Å; Y412-N435 VanDerWaalsContact CE2-O 3.24Å; Y412-N435 WeakPolarHBondContact CE2-O 3.35Å; F426-N435 HydrophobicContact CE1-CB 4.27Å; K432-N435 WeakPolarHBondContact O-CB 3.36Å; K432-N435 VanDerWaalsContact O-CG 3.26Å; K432-N435 PolarHBondContact O-N 2.71Å; K432-N435 VanDerWaalsContact O-N 3.09Å; K432-N435 PolarHBondContact O-OD1 2.93Å; N435-N495 PolarHBondContact OD1-ND2 2.89Å; N435-N495 VanDerWaalsContact OD1-ND2 3.11Å
436	F	91.5	Very high	86.4	Confident	2 Å²	2	21 Å²	21	1%	0.009	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-14.4	173.6	63.3	-85	0	0	0	113.8	I393 P394 L401 Y433 L434 K438 I476 F488 F492 N495	I393-F436 HydrophobicContact CG2-CD2 4.47Å; I393-F436 HydrophobicContact CG2-CE2 4.18Å; P394-F436 VanDerWaalsContact CD-O 3.27Å; P394-F436 WeakPolarHBondContact CD-O 3.37Å; P394-F436 WeakPolarHBondContact CG-O 3.49Å; L401-F436 HydrophobicContact CD1-CB 3.86Å; L401-F436 HydrophobicContact CD2-CB 4.03Å; Y433-F436 WeakPolarHBondContact O-CE1 3.32Å; L434-F436 HydrophobicContact CD2-CE1 3.98Å; L434-F436 HydrophobicContact CD2-CZ 4.09Å; L434-F436 PolarHBondContact O-N 3.39Å; F436-K438 PolarHBondContact O-N 3.46Å; F436-I476 HydrophobicContact CZ-CD1 4.41Å; F436-F488 HydrophobicContact CE2-CE2 4.11Å; F436-F488 HydrophobicContact CZ-CE2 4.31Å; F436-F488 HydrophobicContact CZ-CZ 4.28Å; F436-F492 HydrophobicContact CB-CD1 3.89Å; F436-F492 HydrophobicContact CB-CE1 3.6Å; F436-F492 AromaticContact CD1-CD1 3.93Å; F436-F492 HydrophobicContact CD1-CD1 3.93Å; F436-F492 HydrophobicContact CD1-CE1 4.5Å; F436-F492 AromaticContact CD2-CD1 3.55Å; F436-F492 HydrophobicContact CD2-CD1 3.55Å; F436-F492 HydrophobicContact CD2-CD2 4.33Å; F436-F492 AromaticContact CD2-CE1 3.62Å; F436-F492 HydrophobicContact CD2-CE1 3.62Å; F436-F492 HydrophobicContact CD2-CE2 4.39Å; F436-F492 AromaticContact CD2-CG 3.94Å; F436-F492 HydrophobicContact CD2-CG 3.94Å; F436-F492 HydrophobicContact CD2-CZ 4.08Å; F436-F492 HydrophobicContact CE1-CB 4.49Å; F436-F492 HydrophobicContact CE1-CD1 4.35Å; F436-F492 HydrophobicContact CE2-CB 4.41Å; F436-F492 HydrophobicContact CE2-CD1 4.01Å; F436-F492 HydrophobicContact CE2-CD2 4.27Å; F436-F492 HydrophobicContact CE2-CE1 4.43Å; F436-F492 AromaticContact CE2-CG 3.94Å; F436-F492 HydrophobicContact CE2-CG 3.94Å; F436-F492 AromaticContact CG-CD1 3.5Å; F436-F492 HydrophobicContact CG-CD1 3.5Å; F436-F492 AromaticContact CG-CE1 3.66Å; F436-F492 HydrophobicContact CG-CE1 3.66Å; F436-F492 HydrophobicContact CG-CG 4.27Å; F436-F492 HydrophobicContact CZ-CB 4.28Å; F436-F492 HydrophobicContact CZ-CD1 4.39Å; F436-F492 HydrophobicContact CZ-CG 4.27Å; F436-N495 HydrophobicContact CD1-CB 4.05Å; F436-N495 HydrophobicContact CE1-CB 3.73Å
437	I	93.5	Very high	87.1	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.			trans	-70.6	125.1	-178.4	-60.8	-65.9	0	0	0	109.6	L391 I393 Y412 I413 M430 L434 T472 M475	L391-I437 HydrophobicContact CB-CG2 4.07Å; L391-I437 HydrophobicContact CD2-CG2 4.19Å; I393-I437 HydrophobicContact CG1-CD1 3.92Å; Y412-I437 WeakPolarHBondContact CB-O 3.42Å; I413-I437 HydrophobicContact CD1-CB 4.44Å; I413-I437 HydrophobicContact CD1-CG2 4.04Å; I413-I437 WeakPolarHBondContact CG1-O 3.46Å; M430-I437 HydrophobicContact CE-CB 4.24Å; M430-I437 HydrophobicContact CE-CG1 4.18Å; M430-I437 HydrophobicContact CE-CG2 4.32Å; L434-I437 HydrophobicContact CB-CG1 4.2Å; L434-I437 WeakPolarHBondContact O-CG1 3.31Å; L434-I437 PolarHBondContact O-N 2.83Å; I437-T472 HydrophobicContact CD1-CG2 3.61Å; I437-T472 HydrophobicContact CG1-CG2 3.8Å; I437-M475 HydrophobicContact CD1-CE 4.28Å
438	K	93	Very high	87.6	Confident	14 Å²	14	19.9 Å²	19.9	6%	0.061	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.5	172.2	-44.8	-166.2	-164.8	166.1	0	110.2	Y363 S367 D369 F392 Y412 F436	Y363-K438 HydrophobicContact CE2-CB 4.27Å; Y363-K438 HydrophobicContact CE2-CD 3.98Å; Y363-K438 HydrophobicContact CE2-CG 4.43Å; Y363-K438 VanDerWaalsContact OH-CE 3.22Å; Y363-K438 WeakPolarHBondContact OH-CE 3.47Å; Y363-K438 PolarHBondContact OH-NZ 3.36Å; Y363-K438 VanDerWaalsContact OH-NZ 3.07Å; S367-K438 PolarHBondContact OG-NZ 2.94Å; S367-K438 VanDerWaalsContact OG-NZ 3.12Å; D369-K438 IonicContact OD2-NZ 3.98Å; D369-K438 PolarHBondContact OD2-NZ 2.93Å; F392-K438 PolarHBondContact N-O 3.48Å; F392-K438 PolarHBondContact O-N 3.32Å; F392-K438 VanDerWaalsContact O-N 3.13Å; Y412-K438 HydrophobicContact CG-CG 4.35Å; Y412-K438 CarbonylContact O-C 3.12Å; Y412-K438 VanDerWaalsContact O-CA 3.27Å; Y412-K438 WeakPolarHBondContact O-CA 3.23Å; F436-K438 PolarHBondContact O-N 3.46Å
439	G	92.6	Very high	88.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.6	-170.6	173.8	0	0	0	0	0	116.7	F366 I390 Y412 I413 K414	F366-G439 VanDerWaalsContact CZ-O 3.27Å; F366-G439 WeakPolarHBondContact CZ-O 3.47Å; I390-G439 CarbonylContact O-C 3.57Å; I390-G439 VanDerWaalsContact O-CA 3.23Å; I390-G439 WeakPolarHBondContact O-CA 3.27Å; Y412-G439 PolarHBondContact O-N 2.85Å; I413-G439 WeakPolarHBondContact CA-O 3.38Å; K414-G439 PolarHBondContact N-O 3.04Å; K414-G439 VanDerWaalsContact N-O 3.16Å
440	V	92.5	Very high	88.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.9	-177.1	-64.7	0	0	0	0	111.3	W347 F362 F366 S389 I390 F416	W347-V440 HydrophobicContact CD2-CG2 4.09Å; W347-V440 HydrophobicContact CE3-CG2 3.68Å; W347-V440 HydrophobicContact CZ3-CB 4.48Å; W347-V440 HydrophobicContact CZ3-CG1 4.31Å; W347-V440 HydrophobicContact CZ3-CG2 4.01Å; F362-V440 HydrophobicContact CE1-CG1 4.47Å; F362-V440 HydrophobicContact CZ-CG1 4.07Å; F366-V440 HydrophobicContact CD2-CG1 4Å; F366-V440 HydrophobicContact CE1-CG1 4.31Å; F366-V440 HydrophobicContact CE2-CG1 3.4Å; F366-V440 VanDerWaalsContact CE2-CG1 3.4Å; F366-V440 HydrophobicContact CZ-CG1 3.59Å; S389-V440 VanDerWaalsContact CA-O 3.28Å; S389-V440 WeakPolarHBondContact CA-O 3.46Å; S389-V440 WeakPolarHBondContact CB-O 3.44Å; S389-V440 PolarHBondContact OG-O 2.88Å; I390-V440 HydrophobicContact CB-CG2 4.19Å; I390-V440 PolarHBondContact N-O 3.42Å; I390-V440 PolarHBondContact O-N 2.9Å; F416-V440 HydrophobicContact CD2-CB 4.46Å; F416-V440 HydrophobicContact CD2-CG1 4.5Å; F416-V440 HydrophobicContact CE2-CB 4.37Å; F416-V440 HydrophobicContact CE2-CG1 3.94Å
441	V	92.8	Very high	87.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	120.8	171.1	-176.4	0	0	0	0	106.9	F387 I413 K414 L415 F416 I464 L468	F387-V441 HydrophobicContact CB-CG1 4.39Å; F387-V441 HydrophobicContact CD2-CG1 3.76Å; F387-V441 HydrophobicContact CE2-CG1 4.17Å; F387-V441 HydrophobicContact CG-CG1 4.19Å; I413-V441 HydrophobicContact CG2-CG2 4Å; K414-V441 PolarHBondContact O-N 3.11Å; K414-V441 VanDerWaalsContact O-N 3.1Å; L415-V441 HydrophobicContact CD1-CB 3.98Å; L415-V441 HydrophobicContact CD1-CG1 3.82Å; F416-V441 PolarHBondContact N-O 2.92Å; V441-I464 HydrophobicContact CG1-CG2 4.43Å; V441-L468 HydrophobicContact CG2-CD1 4.29Å; V441-L468 HydrophobicContact CG2-CD2 3.86Å
442	D	92	Very high	87.3	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	139	178.9	-170.4	27.4	0	0	0	109.9	W347 Q348 F387 K388 F416 R418 R419	W347-D442 HydrophobicContact CZ2-CB 4.46Å; W347-D442 PolarHBondContact NE1-OD2 3.34Å; Q348-D442 PolarHBondContact NE2-OD2 2.81Å; F387-D442 CarbonylContact C-O 3.53Å; F387-D442 WeakPolarHBondContact CA-O 3.37Å; F387-D442 WeakPolarHBondContact CB-O 3.47Å; K388-D442 PolarHBondContact N-O 3.09Å; K388-D442 PolarHBondContact O-N 3.29Å; F416-D442 HydrophobicContact CB-CB 4.12Å; F416-D442 WeakPolarHBondContact CB-OD1 3.46Å; F416-D442 WeakPolarHBondContact O-CA 3.19Å; R418-D442 PolarHBondContact N-OD1 3.1Å; R419-D442 WeakPolarHBondContact CG-OD2 2.81Å; R419-D442 PolarHBondContact N-OD1 3.24Å
443	S	89.2	Confident	86.9	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.6	-175.5	179.1	0	0	0	0	110.3	T386 F416 V417 R418	T386-S443 WeakPolarHBondContact O-CB 3.43Å; T386-S443 PolarHBondContact O-OG 3.18Å; F416-S443 PolarHBondContact O-N 2.61Å; V417-S443 CarbonylContact C-O 3.52Å; V417-S443 VanDerWaalsContact CA-O 3.23Å; V417-S443 WeakPolarHBondContact CA-O 3.29Å; V417-S443 WeakPolarHBondContact CG1-O 3.43Å; R418-S443 PolarHBondContact N-O 3.22Å
444	D	84.1	Confident	86.2	Confident	36 Å²	36	22.2 Å²	22.2	19%	0.193	12%	0.123	C	C	.	.	S	Bend	trans	-92.3	-14.8	-177.3	-53.5	-61.1	0	0	0	112.4	R418	R418-D444 HydrophobicContact CG-CB 4.29Å; R418-D444 VanDerWaalsContact CZ-O 3.24Å; R418-D444 PolarHBondContact NE-O 3.42Å; R418-D444 PolarHBondContact NH2-O 2.99Å
445	D	78.8	Confident	85.5	Confident	105 Å²	105	22.6 Å²	22.6	56%	0.561	13%	0.125	S	C	*	.	S	Bend	trans	-115.4	3.4	-165.4	-56.8	-47.8	0	0	0	114.6	T386	T386-D445 WeakPolarHBondContact CB-OD2 3.2Å; T386-D445 PolarHBondContact OG1-OD2 3.25Å
446	L	83.3	Confident	84.9	Confident	11 Å²	11	27.4 Å²	27.4	6%	0.058	15%	0.147	C	C	.	.			trans	-74.4	128.5	-174.9	-85.1	177.3	0	0	0	113.1	V385 L415 V417 L448 L455 L460 I464	V385-L446 HydrophobicContact CG1-CD2 3.99Å; L415-L446 HydrophobicContact CD1-CD1 4.14Å; V417-L446 HydrophobicContact CG2-CB 3.78Å; V417-L446 HydrophobicContact CG2-CD1 3.99Å; V417-L446 HydrophobicContact CG2-CG 4.49Å; L446-L448 PolarHBondContact O-N 3.47Å; L446-L455 HydrophobicContact CB-CD2 3.8Å; L446-L455 HydrophobicContact CD1-CD1 4.31Å; L446-L455 HydrophobicContact CD1-CD2 4.11Å; L446-L455 HydrophobicContact CD2-CD1 4.36Å; L446-L455 HydrophobicContact CD2-CD2 4.26Å; L446-L455 HydrophobicContact CG-CD2 4.28Å; L446-L460 HydrophobicContact CD2-CB 4.25Å; L446-L460 HydrophobicContact CD2-CD1 3.87Å; L446-I464 HydrophobicContact CD1-CD1 4.16Å; L446-I464 HydrophobicContact CD2-CD1 4.32Å
447	P	81.8	Confident	84.2	Confident	40 Å²	40	31.8 Å²	31.8	26%	0.26	17%	0.168	S	C	.	.			trans	-73.4	96.8	179.7	28.9	-34.5	0	0	0	111.6	Q456 Q457 L460	P447-Q456 PolarHBondContact O-N 2.99Å; P447-Q457 HydrophobicContact CG-CG 4.4Å; P447-L460 HydrophobicContact CG-CD1 3.73Å
448	L	81.8	Confident	83.3	Confident	16 Å²	16	37.1 Å²	37.1	8%	0.084	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-69.2	145.9	174.4	-65	178.7	0	0	0	112.2	V417 I422 L446 R452 L455 Q456	V417-L448 HydrophobicContact CB-CD1 4.28Å; V417-L448 HydrophobicContact CB-CD2 4.12Å; V417-L448 HydrophobicContact CB-CG 4.43Å; V417-L448 HydrophobicContact CG1-CD1 3.96Å; V417-L448 HydrophobicContact CG1-CD2 4.31Å; V417-L448 HydrophobicContact CG1-CG 4.11Å; V417-L448 HydrophobicContact CG2-CD2 3.9Å; I422-L448 HydrophobicContact CD1-CD1 3.92Å; I422-L448 HydrophobicContact CD1-CD2 3.64Å; I422-L448 HydrophobicContact CD1-CG 4.46Å; I422-L448 HydrophobicContact CG1-CD2 3.82Å; I422-L448 HydrophobicContact CG2-CD2 3.93Å; L446-L448 PolarHBondContact O-N 3.47Å; L448-R452 HydrophobicContact CD1-CB 4.2Å; L448-R452 HydrophobicContact CD1-CG 4.13Å; L448-L455 HydrophobicContact CD2-CD2 4.16Å; L448-Q456 WeakPolarHBondContact O-CG 3.49Å; L448-Q456 PolarHBondContact O-NE2 2.89Å
449	N	82.1	Confident	82.9	Confident	34 Å²	34	44.1 Å²	44.1	18%	0.182	22%	0.223	C	C	.	.			trans	-68.1	167.3	163.7	80	-22.8	0	0	0	110.7	S451 R452 E453 T454 Q456	N449-S451 PolarHBondContact ND2-OG 3.01Å; N449-S451 PolarHBondContact O-N 2.67Å; N449-S451 PolarHBondContact OD1-N 3.07Å; N449-S451 PolarHBondContact OD1-OG 3.08Å; N449-R452 PolarHBondContact O-N 3.19Å; N449-R452 WeakPolarHBondContact OD1-CA 3.48Å; N449-R452 PolarHBondContact OD1-N 2.75Å; N449-E453 PolarHBondContact OD1-N 2.86Å; N449-T454 VanDerWaalsContact CB-O 3.26Å; N449-T454 WeakPolarHBondContact CB-O 3.42Å; N449-T454 PolarHBondContact N-O 3.27Å; N449-T454 PolarHBondContact ND2-OG1 2.84Å; N449-T454 PolarHBondContact OD1-N 2.96Å; N449-T454 VanDerWaalsContact OD1-N 3.15Å; N449-T454 PolarHBondContact OD1-O 3.4Å; N449-Q456 HydrophobicContact CB-CG 4.44Å
450	V	79.4	Confident	82.5	Confident	64 Å²	64	45.1 Å²	45.1	39%	0.388	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.7	-177	-167.8	0	0	0	0	112.4	L93 V197 R452	L93-V450 HydrophobicContact CD1-CB 3.97Å; L93-V450 HydrophobicContact CD1-CG1 3.87Å; L93-V450 HydrophobicContact CD2-CG1 4.11Å; L93-V450 HydrophobicContact CG-CG1 4.5Å; V197-V450 HydrophobicContact CG2-CG1 4.13Å; V450-R452 VanDerWaalsContact C-N 3.3Å
451	S	78.3	Confident	82	Confident	8 Å²	8	46 Å²	46	6%	0.056	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.8	172.4	83.4	0	0	0	0	114.1	L93 R102 N449 E453	L93-S451 WeakPolarHBondContact O-CB 3.42Å; R102-S451 PolarHBondContact NH2-O 3.04Å; N449-S451 PolarHBondContact ND2-OG 3.01Å; N449-S451 PolarHBondContact O-N 2.67Å; N449-S451 PolarHBondContact OD1-N 3.07Å; N449-S451 PolarHBondContact OD1-OG 3.08Å; S451-E453 WeakPolarHBondContact CB-OE2 3.49Å; S451-E453 PolarHBondContact O-N 3.34Å; S451-E453 WeakPolarHBondContact OG-CB 3.27Å; S451-E453 PolarHBondContact OG-N 3.47Å; S451-E453 PolarHBondContact OG-OE2 2.94Å
452	R	80.9	Confident	81.7	Confident	17 Å²	17	51.2 Å²	51.2	6%	0.064	26%	0.256	C	S	.	.	S	Bend	trans	49.3	33.4	-167.7	-46.4	179.8	-172.1	-105.1	13.9	114.2	R102 E103 I192 I422 L448 N449 V450	R102-R452 PolarHBondContact NH1-O 2.94Å; E103-R452 WeakPolarHBondContact OE1-CD 3.13Å; E103-R452 IonicContact OE1-NE 2.76Å; E103-R452 IonicContact OE2-CZ 2.89Å; E103-R452 IonicContact OE2-NE 2.09Å; E103-R452 PolarHBondContact OE2-NE 3.11Å; E103-R452 VanDerWaalsContact OE2-NE 3.08Å; I192-R452 PolarHBondContact O-NH1 2.76Å; I192-R452 PolarHBondContact O-NH2 3.22Å; I422-R452 HydrophobicContact CD1-CB 4.42Å; L448-R452 HydrophobicContact CD1-CB 4.2Å; L448-R452 HydrophobicContact CD1-CG 4.13Å; N449-R452 PolarHBondContact O-N 3.19Å; N449-R452 WeakPolarHBondContact OD1-CA 3.48Å; N449-R452 PolarHBondContact OD1-N 2.75Å; V450-R452 VanDerWaalsContact C-N 3.3Å
453	E	80.4	Confident	81.6	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.117	26%	0.264	C	S	.	.	S	Bend	trans	-111.1	-20.8	176.2	-62.7	167	130.9	0	0	112.3	N96 N449 S451	N96-E453 PolarHBondContact ND2-OE1 3.5Å; N449-E453 PolarHBondContact OD1-N 2.86Å; S451-E453 WeakPolarHBondContact CB-OE2 3.49Å; S451-E453 PolarHBondContact O-N 3.34Å; S451-E453 WeakPolarHBondContact OG-CB 3.27Å; S451-E453 PolarHBondContact OG-N 3.47Å; S451-E453 PolarHBondContact OG-OE2 2.94Å
454	T	79.3	Confident	81.6	Confident	73 Å²	73	52.5 Å²	52.5	45%	0.448	26%	0.264	S	S	.	.	S	Bend	trans	-138	158.3	176.7	75.3	0	0	0	0	111.5	N449	N449-T454 VanDerWaalsContact CB-O 3.26Å; N449-T454 WeakPolarHBondContact CB-O 3.42Å; N449-T454 PolarHBondContact N-O 3.27Å; N449-T454 PolarHBondContact ND2-OG1 2.84Å; N449-T454 PolarHBondContact OD1-N 2.96Å; N449-T454 VanDerWaalsContact OD1-N 3.15Å; N449-T454 PolarHBondContact OD1-O 3.4Å
455	L	78.3	Confident	81.9	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.063	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-77.5	146.8	170.5	-65.1	172.8	0	0	0	110.7	L415 L446 L448 Q457 L461	L415-L455 HydrophobicContact CD2-CD1 4.01Å; L415-L455 HydrophobicContact CD2-CG 4.36Å; L446-L455 HydrophobicContact CB-CD2 3.8Å; L446-L455 HydrophobicContact CD1-CD1 4.31Å; L446-L455 HydrophobicContact CD1-CD2 4.11Å; L446-L455 HydrophobicContact CD2-CD1 4.36Å; L446-L455 HydrophobicContact CD2-CD2 4.26Å; L446-L455 HydrophobicContact CG-CD2 4.28Å; L448-L455 HydrophobicContact CD2-CD2 4.16Å; L455-Q457 VanDerWaalsContact C-N 3.28Å; L455-Q457 PolarHBondContact O-N 3.36Å; L455-L461 HydrophobicContact CD1-CD1 4.35Å; L455-L461 HydrophobicContact CD1-CD2 3.65Å; L455-L461 HydrophobicContact CD1-CG 3.79Å
456	Q	76.5	Confident	82.5	Confident	115 Å²	115	57.2 Å²	57.2	54%	0.537	28%	0.275	S	S	.	.	S	Bend	trans	-69.2	-27.9	173.6	-61.1	-174.7	17.3	0	0	112.5	P447 L448 N449	P447-Q456 PolarHBondContact O-N 2.99Å; L448-Q456 WeakPolarHBondContact O-CG 3.49Å; L448-Q456 PolarHBondContact O-NE2 2.89Å; N449-Q456 HydrophobicContact CB-CG 4.44Å
457	Q	77.3	Confident	83	Confident	95 Å²	95	59 Å²	59	44%	0.444	28%	0.282	S	S	.	.			trans	-123.7	95.1	-169.7	-61.7	-166.1	21.7	0	0	113.1	P447 L455 K459 L460	P447-Q457 HydrophobicContact CG-CG 4.4Å; L455-Q457 VanDerWaalsContact C-N 3.28Å; L455-Q457 PolarHBondContact O-N 3.36Å; Q457-K459 PolarHBondContact O-N 3.39Å; Q457-L460 HydrophobicContact CB-CD1 4.12Å; Q457-L460 HydrophobicContact CB-CG 4.01Å; Q457-L460 PolarHBondContact O-N 2.78Å
458	H	75.8	Confident	83.5	Confident	111 Å²	111	57 Å²	57	51%	0.514	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-10.2	172	-70.8	-94	0	0	0	114.8	D428	D428-H458 IonicContact OD2-CE1 3.06Å; D428-H458 IonicContact OD2-ND1 2.96Å; D428-H458 PolarHBondContact OD2-ND1 2.72Å
459	K	83.6	Confident	84.1	Confident	162 Å²	162	56.6 Å²	56.6	70%	0.704	27%	0.268	S	S	*	.	H	α-helix	trans	-64.6	-42.9	171	-69.5	-177.4	-179.2	176.2	0	111.4	Q457 L461 K462 V463	Q457-K459 PolarHBondContact O-N 3.39Å; K459-L461 PolarHBondContact O-N 2.62Å; K459-K462 WeakPolarHBondContact O-CB 3.44Å; K459-K462 PolarHBondContact O-N 2.99Å; K459-K462 VanDerWaalsContact O-N 3.12Å; K459-V463 PolarHBondContact O-N 2.91Å
460	L	84.1	Confident	84.7	Confident	20 Å²	20	63 Å²	63	11%	0.105	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-38.1	-174.6	-53	-178.7	0	0	0	111.4	V385 L446 P447 Q457 K462 V463 I464	V385-L460 HydrophobicContact CG2-CB 3.98Å; V385-L460 HydrophobicContact CG2-CD2 3.9Å; V385-L460 HydrophobicContact CG2-CG 4.4Å; L446-L460 HydrophobicContact CD2-CB 4.25Å; L446-L460 HydrophobicContact CD2-CD1 3.87Å; P447-L460 HydrophobicContact CG-CD1 3.73Å; Q457-L460 HydrophobicContact CB-CD1 4.12Å; Q457-L460 HydrophobicContact CB-CG 4.01Å; Q457-L460 PolarHBondContact O-N 2.78Å; L460-K462 PolarHBondContact O-N 3.21Å; L460-V463 WeakPolarHBondContact O-CA 3.3Å; L460-V463 WeakPolarHBondContact O-CB 3.44Å; L460-V463 PolarHBondContact O-N 3.4Å; L460-I464 WeakPolarHBondContact O-CG1 3.5Å; L460-I464 PolarHBondContact O-N 3.42Å
461	L	83.4	Confident	85.4	Confident	18 Å²	18	63.3 Å²	63.3	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-54.2	-39	172.3	-71.4	169.5	0	0	0	112.5	D428 M429 L455 K459 V463 I464 R465	D428-L461 HydrophobicContact CB-CB 4.48Å; D428-L461 HydrophobicContact CB-CD1 4.05Å; M429-L461 HydrophobicContact CG-CD2 3.78Å; M429-L461 HydrophobicContact SD-CD2 4.47Å; L455-L461 HydrophobicContact CD1-CD1 4.35Å; L455-L461 HydrophobicContact CD1-CD2 3.65Å; L455-L461 HydrophobicContact CD1-CG 3.79Å; K459-L461 PolarHBondContact O-N 2.62Å; L461-V463 VanDerWaalsContact C-N 3.32Å; L461-V463 PolarHBondContact O-N 2.83Å; L461-I464 PolarHBondContact O-N 3.34Å; L461-R465 WeakPolarHBondContact O-CB 3.21Å; L461-R465 PolarHBondContact O-N 3.03Å
462	K	86.4	Confident	86.2	Confident	111 Å²	111	63 Å²	63	48%	0.483	28%	0.283	S	S	.	.	H	α-helix	trans	-71.9	-25.7	178.4	-62.3	175.7	-174.9	179.6	0	112.7	K459 L460 K466	K459-K462 WeakPolarHBondContact O-CB 3.44Å; K459-K462 PolarHBondContact O-N 2.99Å; K459-K462 VanDerWaalsContact O-N 3.12Å; L460-K462 PolarHBondContact O-N 3.21Å; K462-K466 WeakPolarHBondContact O-CG 3.24Å; K462-K466 PolarHBondContact O-N 2.69Å
463	V	88.8	Confident	86.9	Confident	30 Å²	30	62.2 Å²	62.2	18%	0.182	28%	0.28	C	S	.	.	H	α-helix	trans	-76.9	-46.2	172.8	-178.9	0	0	0	0	110.1	E384 V385 K459 L460 L461 R465 K466 K467	E384-V463 WeakPolarHBondContact OE2-CG2 3.36Å; V385-V463 HydrophobicContact CG2-CB 4.32Å; V385-V463 HydrophobicContact CG2-CG1 4.27Å; K459-V463 PolarHBondContact O-N 2.91Å; L460-V463 WeakPolarHBondContact O-CA 3.3Å; L460-V463 WeakPolarHBondContact O-CB 3.44Å; L460-V463 PolarHBondContact O-N 3.4Å; L461-V463 VanDerWaalsContact C-N 3.32Å; L461-V463 PolarHBondContact O-N 2.83Å; V463-R465 PolarHBondContact O-N 3.49Å; V463-K466 PolarHBondContact O-N 3.02Å; V463-K467 PolarHBondContact O-N 3.01Å; V463-K467 VanDerWaalsContact O-N 3.15Å
464	I	89.8	Confident	87.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-54.5	-53.2	172.7	-66.3	166.5	0	0	0	109.8	V385 F387 V441 L446 L460 L461 K466 K467 L468	V385-I464 HydrophobicContact CG1-CD1 4.26Å; V385-I464 HydrophobicContact CG1-CG1 4.1Å; F387-I464 HydrophobicContact CD1-CG1 4.08Å; F387-I464 HydrophobicContact CE1-CB 4.15Å; F387-I464 HydrophobicContact CE1-CG1 3.78Å; F387-I464 HydrophobicContact CE1-CG2 4.14Å; F387-I464 HydrophobicContact CZ-CB 4.47Å; F387-I464 HydrophobicContact CZ-CG2 4.04Å; V441-I464 HydrophobicContact CG1-CG2 4.43Å; L446-I464 HydrophobicContact CD1-CD1 4.16Å; L446-I464 HydrophobicContact CD2-CD1 4.32Å; L460-I464 WeakPolarHBondContact O-CG1 3.5Å; L460-I464 PolarHBondContact O-N 3.42Å; L461-I464 PolarHBondContact O-N 3.34Å; I464-K466 VanDerWaalsContact C-N 3.35Å; I464-K466 PolarHBondContact O-N 2.81Å; I464-K467 WeakPolarHBondContact O-CA 3.14Å; I464-K467 PolarHBondContact O-N 3.19Å; I464-L468 HydrophobicContact CG2-CD1 3.6Å; I464-L468 HydrophobicContact CG2-CG 3.97Å; I464-L468 WeakPolarHBondContact O-CG 3.47Å; I464-L468 PolarHBondContact O-N 2.67Å
465	R	90.9	Very high	88.3	Confident	76 Å²	76	59.6 Å²	59.6	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-52.7	-46.7	177.3	-177	161	82.3	-143.1	19.4	113.2	D428 M429 L461 V463 K467 L468 V469	D428-R465 WeakPolarHBondContact O-CD 3.38Å; D428-R465 PolarHBondContact O-NH1 3.35Å; D428-R465 IonicContact OD1-NH1 2.74Å; D428-R465 PolarHBondContact OD1-NH1 3.01Å; M429-R465 VanDerWaalsContact O-CA 3.23Å; M429-R465 WeakPolarHBondContact O-CA 3.4Å; M429-R465 WeakPolarHBondContact O-CB 3.27Å; M429-R465 WeakPolarHBondContact O-CG 2.97Å; L461-R465 WeakPolarHBondContact O-CB 3.21Å; L461-R465 PolarHBondContact O-N 3.03Å; V463-R465 PolarHBondContact O-N 3.49Å; R465-K467 VanDerWaalsContact C-N 3.31Å; R465-K467 PolarHBondContact O-N 3.15Å; R465-L468 PolarHBondContact O-N 2.64Å; R465-V469 HydrophobicContact CG-CG2 4.14Å; R465-V469 WeakPolarHBondContact O-CB 3.27Å; R465-V469 VanDerWaalsContact O-CG2 3.27Å; R465-V469 WeakPolarHBondContact O-CG2 3.36Å; R465-V469 PolarHBondContact O-N 2.8Å
466	K	91.1	Very high	89.1	Confident	164 Å²	164	59.2 Å²	59.2	71%	0.713	26%	0.262	S	S	*	.	H	α-helix	trans	-60.4	-39.3	177.3	-78.3	175.8	177.8	-178.5	0	112.4	K462 V463 I464 R470	K462-K466 WeakPolarHBondContact O-CG 3.24Å; K462-K466 PolarHBondContact O-N 2.69Å; V463-K466 PolarHBondContact O-N 3.02Å; I464-K466 VanDerWaalsContact C-N 3.35Å; I464-K466 PolarHBondContact O-N 2.81Å; K466-R470 WeakPolarHBondContact O-CB 3.48Å; K466-R470 PolarHBondContact O-N 3.34Å
467	K	92.4	Very high	89.9	Confident	47 Å²	47	59.7 Å²	59.7	20%	0.204	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-46.7	176.2	-66.3	-172	-173.8	178.2	0	111.5	A381 E382 V385 F387 V463 I464 R465 R470 K471	A381-K467 HydrophobicContact CB-CD 3.62Å; A381-K467 PolarHBondContact O-NZ 3.21Å; E382-K467 PolarHBondContact O-NZ 3.03Å; V385-K467 PolarHBondContact O-NZ 2.81Å; F387-K467 HydrophobicContact CE1-CB 4.31Å; F387-K467 HydrophobicContact CE1-CD 3.78Å; F387-K467 HydrophobicContact CZ-CB 3.9Å; F387-K467 HydrophobicContact CZ-CD 4.11Å; V463-K467 PolarHBondContact O-N 3.01Å; V463-K467 VanDerWaalsContact O-N 3.15Å; I464-K467 WeakPolarHBondContact O-CA 3.14Å; I464-K467 PolarHBondContact O-N 3.19Å; R465-K467 VanDerWaalsContact C-N 3.31Å; R465-K467 PolarHBondContact O-N 3.15Å; K467-R470 PolarHBondContact O-N 3.31Å; K467-K471 WeakPolarHBondContact O-CB 3.16Å; K467-K471 WeakPolarHBondContact O-CG 3.24Å; K467-K471 PolarHBondContact O-N 2.91Å
468	L	93.3	Very high	90.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58	-51.2	177.6	-68.2	173.7	0	0	0	112	F379 F387 L391 M430 V441 I464 R465 R470 K471 T472	F379-L468 HydrophobicContact CZ-CD2 4.16Å; F387-L468 HydrophobicContact CE2-CD2 4.22Å; L391-L468 HydrophobicContact CD1-CD2 3.94Å; L391-L468 HydrophobicContact CD2-CD2 4.16Å; L391-L468 HydrophobicContact CG-CD2 4.42Å; M430-L468 HydrophobicContact CG-CB 4.49Å; M430-L468 HydrophobicContact CG-CD1 4.2Å; M430-L468 HydrophobicContact SD-CB 3.68Å; M430-L468 HydrophobicContact SD-CD1 4.45Å; V441-L468 HydrophobicContact CG2-CD1 4.29Å; V441-L468 HydrophobicContact CG2-CD2 3.86Å; I464-L468 HydrophobicContact CG2-CD1 3.6Å; I464-L468 HydrophobicContact CG2-CG 3.97Å; I464-L468 WeakPolarHBondContact O-CG 3.47Å; I464-L468 PolarHBondContact O-N 2.67Å; R465-L468 PolarHBondContact O-N 2.64Å; L468-R470 PolarHBondContact O-N 2.94Å; L468-K471 PolarHBondContact O-N 2.92Å; L468-T472 WeakPolarHBondContact O-CB 3.36Å; L468-T472 PolarHBondContact O-N 3.2Å; L468-T472 PolarHBondContact O-OG1 3.16Å
469	V	94.4	Very high	91.5	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-60.4	-46.6	178.6	173.4	0	0	0	0	110.8	M430 P431 L434 R465 K471 T472 L473	M430-V469 HydrophobicContact SD-CG2 3.76Å; P431-V469 VanDerWaalsContact CD-CG2 3.43Å; P431-V469 HydrophobicContact CG-CG2 3.81Å; L434-V469 HydrophobicContact CD1-CG1 4.3Å; L434-V469 HydrophobicContact CD1-CG2 4.14Å; R465-V469 HydrophobicContact CG-CG2 4.14Å; R465-V469 WeakPolarHBondContact O-CB 3.27Å; R465-V469 VanDerWaalsContact O-CG2 3.27Å; R465-V469 WeakPolarHBondContact O-CG2 3.36Å; R465-V469 PolarHBondContact O-N 2.8Å; V469-K471 VanDerWaalsContact C-N 3.35Å; V469-K471 PolarHBondContact O-N 3.19Å; V469-T472 PolarHBondContact O-N 3.36Å; V469-L473 HydrophobicContact CG1-CD1 3.99Å; V469-L473 HydrophobicContact CG1-CG 4.43Å; V469-L473 WeakPolarHBondContact O-CG 3.37Å; V469-L473 PolarHBondContact O-N 3.33Å
470	R	93.8	Very high	91.6	Very high	169 Å²	169	53.5 Å²	53.5	64%	0.638	24%	0.243	S	C	*	.	H	α-helix	trans	-58.6	-46	178.5	-178.4	174.5	177	169	0.4	111.8	K466 K467 L468 L473 D474 R509	K466-R470 WeakPolarHBondContact O-CB 3.48Å; K466-R470 PolarHBondContact O-N 3.34Å; K467-R470 PolarHBondContact O-N 3.31Å; L468-R470 PolarHBondContact O-N 2.94Å; R470-L473 PolarHBondContact O-N 3.36Å; R470-D474 PolarHBondContact O-N 3.21Å; R470-R509 PolarHBondContact O-NH1 3.47Å
471	K	95	Very high	91.6	Very high	70 Å²	70	56.7 Å²	56.7	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-69.9	-34.4	179.1	-71.5	-75.3	-171.7	174.5	0	112.9	I377 F379 K467 L468 V469 D474 M475	I377-K471 HydrophobicContact CD1-CB 4.37Å; I377-K471 HydrophobicContact CD1-CD 4.16Å; F379-K471 HydrophobicContact CB-CD 4.25Å; F379-K471 HydrophobicContact CD1-CB 3.98Å; F379-K471 HydrophobicContact CD1-CD 4.04Å; F379-K471 HydrophobicContact CD1-CG 3.9Å; F379-K471 HydrophobicContact CD2-CD 4.08Å; F379-K471 HydrophobicContact CD2-CG 3.88Å; F379-K471 HydrophobicContact CE1-CB 3.61Å; F379-K471 HydrophobicContact CE1-CD 4.44Å; F379-K471 HydrophobicContact CE1-CG 3.8Å; F379-K471 HydrophobicContact CE2-CB 4.42Å; F379-K471 HydrophobicContact CE2-CD 4.48Å; F379-K471 HydrophobicContact CE2-CG 3.78Å; F379-K471 HydrophobicContact CG-CD 3.84Å; F379-K471 HydrophobicContact CG-CG 3.94Å; F379-K471 HydrophobicContact CZ-CB 3.85Å; F379-K471 HydrophobicContact CZ-CG 3.73Å; K467-K471 WeakPolarHBondContact O-CB 3.16Å; K467-K471 WeakPolarHBondContact O-CG 3.24Å; K467-K471 PolarHBondContact O-N 2.91Å; L468-K471 PolarHBondContact O-N 2.92Å; V469-K471 VanDerWaalsContact C-N 3.35Å; V469-K471 PolarHBondContact O-N 3.19Å; K471-D474 WeakPolarHBondContact O-CB 3.48Å; K471-D474 PolarHBondContact O-N 2.95Å; K471-M475 WeakPolarHBondContact O-CB 3.36Å; K471-M475 PolarHBondContact O-N 3.23Å
472	T	95.3	Very high	91.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-45.3	172	-55.9	0	0	0	0	110.7	L391 M430 L434 I437 L468 V469 D474 M475 I476	L391-T472 WeakPolarHBondContact CD1-OG1 3.19Å; M430-T472 HydrophobicContact CE-CG2 4.41Å; M430-T472 WeakPolarHBondContact CE-OG1 3.28Å; L434-T472 HydrophobicContact CD1-CG2 4.07Å; L434-T472 HydrophobicContact CD2-CG2 4.17Å; I437-T472 HydrophobicContact CD1-CG2 3.61Å; I437-T472 HydrophobicContact CG1-CG2 3.8Å; L468-T472 WeakPolarHBondContact O-CB 3.36Å; L468-T472 PolarHBondContact O-N 3.2Å; L468-T472 PolarHBondContact O-OG1 3.16Å; V469-T472 PolarHBondContact O-N 3.36Å; T472-D474 VanDerWaalsContact C-N 3.32Å; T472-D474 PolarHBondContact O-N 2.95Å; T472-M475 HydrophobicContact CG2-CE 4.29Å; T472-M475 WeakPolarHBondContact O-CB 3.37Å; T472-M475 PolarHBondContact O-N 2.75Å; T472-I476 HydrophobicContact CG2-CD1 3.83Å; T472-I476 HydrophobicContact CG2-CG1 4.47Å; T472-I476 VanDerWaalsContact O-CG1 3.3Å; T472-I476 WeakPolarHBondContact O-CG1 3.49Å; T472-I476 PolarHBondContact O-N 3.29Å
473	L	94.9	Very high	91.6	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-72.4	-23.7	176.1	-60.7	175.9	0	0	0	113.1	V469 R470 I476 K477 N506 R509 L510 L513	V469-L473 HydrophobicContact CG1-CD1 3.99Å; V469-L473 HydrophobicContact CG1-CG 4.43Å; V469-L473 WeakPolarHBondContact O-CG 3.37Å; V469-L473 PolarHBondContact O-N 3.33Å; R470-L473 PolarHBondContact O-N 3.36Å; L473-I476 HydrophobicContact CD2-CD1 4.39Å; L473-K477 WeakPolarHBondContact O-CB 3.4Å; L473-K477 PolarHBondContact O-N 2.76Å; L473-N506 HydrophobicContact CD1-CB 3.76Å; L473-R509 HydrophobicContact CB-CG 4.31Å; L473-R509 HydrophobicContact CD1-CG 4.22Å; L473-L510 HydrophobicContact CD1-CG 4.43Å; L473-L510 HydrophobicContact CD2-CD2 3.62Å; L473-L510 HydrophobicContact CD2-CG 4.34Å; L473-L513 HydrophobicContact CD2-CD1 4.1Å
474	D	94.4	Very high	91.8	Very high	39 Å²	39	58.1 Å²	58.1	21%	0.209	27%	0.269	C	S	.	.	H	α-helix	trans	-68	-42.9	167	-67.5	-28.7	0	0	0	111	R470 K471 T472 K478 R509	R470-D474 PolarHBondContact O-N 3.21Å; K471-D474 WeakPolarHBondContact O-CB 3.48Å; K471-D474 PolarHBondContact O-N 2.95Å; T472-D474 VanDerWaalsContact C-N 3.32Å; T472-D474 PolarHBondContact O-N 2.95Å; D474-K478 WeakPolarHBondContact O-CG 3.13Å; D474-K478 PolarHBondContact O-N 2.79Å; D474-R509 IonicContact OD1-CZ 2.74Å; D474-R509 IonicContact OD1-NH1 2.7Å; D474-R509 PolarHBondContact OD1-NH1 3.21Å; D474-R509 IonicContact OD1-NH2 3.69Å; D474-R509 PolarHBondContact OD1-NH2 3.16Å
475	M	94.8	Very high	91.7	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-50.3	176.5	174.2	174.9	53.5	0	0	111.6	A375 I377 L391 I393 I437 K471 T472 K477 K478 I479	A375-M475 HydrophobicContact CB-CG 4.1Å; A375-M475 HydrophobicContact CB-SD 4.25Å; I377-M475 HydrophobicContact CB-CB 4.02Å; I377-M475 HydrophobicContact CB-CG 4.21Å; I377-M475 HydrophobicContact CB-SD 3.88Å; I377-M475 HydrophobicContact CD1-CB 4.24Å; I377-M475 HydrophobicContact CG2-CB 3.89Å; I377-M475 HydrophobicContact CG2-CE 3.89Å; I377-M475 HydrophobicContact CG2-CG 4.23Å; I377-M475 HydrophobicContact CG2-SD 3.58Å; I377-M475 VanDerWaalsContact CG2-SD 3.58Å; L391-M475 HydrophobicContact CB-CE 4.19Å; I393-M475 HydrophobicContact CD1-CE 3.95Å; I393-M475 HydrophobicContact CD1-CG 4.09Å; I393-M475 HydrophobicContact CD1-SD 4.16Å; I393-M475 HydrophobicContact CG1-CE 3.6Å; I393-M475 HydrophobicContact CG1-SD 3.97Å; I437-M475 HydrophobicContact CD1-CE 4.28Å; K471-M475 WeakPolarHBondContact O-CB 3.36Å; K471-M475 PolarHBondContact O-N 3.23Å; T472-M475 HydrophobicContact CG2-CE 4.29Å; T472-M475 WeakPolarHBondContact O-CB 3.37Å; T472-M475 PolarHBondContact O-N 2.75Å; M475-K477 VanDerWaalsContact C-N 3.27Å; M475-K477 PolarHBondContact O-N 3.22Å; M475-K478 WeakPolarHBondContact O-CB 3.16Å; M475-K478 PolarHBondContact O-N 3.1Å; M475-I479 PolarHBondContact O-N 2.89Å
476	I	94.9	Very high	91.5	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-35.9	179.8	-66.1	167.2	0	0	0	111.2	I393 L434 F436 T472 L473 K478 Y484 F488 L513	I393-I476 HydrophobicContact CD1-CG1 3.66Å; L434-I476 HydrophobicContact CD2-CD1 4.45Å; F436-I476 HydrophobicContact CZ-CD1 4.41Å; T472-I476 HydrophobicContact CG2-CD1 3.83Å; T472-I476 HydrophobicContact CG2-CG1 4.47Å; T472-I476 VanDerWaalsContact O-CG1 3.3Å; T472-I476 WeakPolarHBondContact O-CG1 3.49Å; T472-I476 PolarHBondContact O-N 3.29Å; L473-I476 HydrophobicContact CD2-CD1 4.39Å; I476-K478 VanDerWaalsContact C-N 3.3Å; I476-K478 PolarHBondContact O-N 2.72Å; I476-Y484 HydrophobicContact CG2-CE2 3.7Å; I476-F488 HydrophobicContact CD1-CE2 4.36Å; I476-F488 HydrophobicContact CD1-CZ 3.95Å; I476-F488 HydrophobicContact CG1-CE2 4.11Å; I476-F488 HydrophobicContact CG1-CZ 4Å; I476-F488 HydrophobicContact CG2-CD1 4.41Å; I476-F488 HydrophobicContact CG2-CE1 3.75Å; I476-F488 HydrophobicContact CG2-CE2 4.32Å; I476-F488 HydrophobicContact CG2-CZ 3.7Å; I476-L513 HydrophobicContact CB-CD1 4.39Å; I476-L513 HydrophobicContact CG2-CD1 3.79Å; I476-L513 HydrophobicContact CG2-CD2 4.13Å
477	K	93.3	Very high	91.5	Very high	126 Å²	126	59.2 Å²	59.2	55%	0.548	28%	0.279	S	S	.	.	H	α-helix	trans	-72.7	-16	173.8	-179.3	159.6	179.7	157.2	0	114	L473 M475 L513	L473-K477 WeakPolarHBondContact O-CB 3.4Å; L473-K477 PolarHBondContact O-N 2.76Å; M475-K477 VanDerWaalsContact C-N 3.27Å; M475-K477 PolarHBondContact O-N 3.22Å; K477-L513 HydrophobicContact CB-CD2 4.15Å
478	K	93.6	Very high	91.6	Very high	169 Å²	169	57 Å²	57	74%	0.735	27%	0.269	S	S	*	.	H	α-helix	trans	-88.7	-12.3	179.1	-80.6	177	171.3	-165.7	0	114.3	D474 M475 I476	D474-K478 WeakPolarHBondContact O-CG 3.13Å; D474-K478 PolarHBondContact O-N 2.79Å; M475-K478 WeakPolarHBondContact O-CB 3.16Å; M475-K478 PolarHBondContact O-N 3.1Å; I476-K478 VanDerWaalsContact C-N 3.3Å; I476-K478 PolarHBondContact O-N 2.72Å
479	I	92.6	Very high	91.6	Very high	18 Å²	18	57.7 Å²	57.7	9%	0.092	27%	0.272	C	S	.	.	S	Bend	trans	-62.5	134.8	172.9	-52.8	172.9	0	0	0	108	A375 I393 M475 Q483 Y484 F488	A375-I479 HydrophobicContact CB-CG1 4.32Å; I393-I479 HydrophobicContact CD1-CD1 3.98Å; M475-I479 PolarHBondContact O-N 2.89Å; I479-Q483 HydrophobicContact CG2-CB 3.95Å; I479-Y484 HydrophobicContact CB-CD2 4.16Å; I479-Y484 HydrophobicContact CD1-CD2 4.34Å; I479-Y484 HydrophobicContact CG2-CD2 4.44Å; I479-F488 HydrophobicContact CD1-CB 4.13Å; I479-F488 HydrophobicContact CD1-CD2 3.77Å; I479-F488 HydrophobicContact CD1-CE2 4.45Å; I479-F488 HydrophobicContact CD1-CG 3.93Å
480	A	86.1	Confident	91.5	Very high	50 Å²	50	64.3 Å²	64.3	41%	0.413	30%	0.3	S	S	.	.			trans	-64.1	144	177.2	0	0	0	0	0	111.1	D482 Q483 Y484	A480-D482 WeakPolarHBondContact CB-OD1 3.33Å; A480-D482 PolarHBondContact O-N 2.93Å; A480-D482 VanDerWaalsContact O-N 3.14Å; A480-Q483 PolarHBondContact O-N 3.3Å; A480-Q483 VanDerWaalsContact O-N 3.12Å; A480-Y484 VanDerWaalsContact O-CB 3.32Å; A480-Y484 WeakPolarHBondContact O-CB 3.23Å; A480-Y484 PolarHBondContact O-N 2.67Å
481	D	84.5	Confident	91.5	Very high	87 Å²	87	59.3 Å²	59.3	47%	0.465	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-28	-169.7	-86	-63.2	0	0	0	114.4	N485 R515	D481-N485 WeakPolarHBondContact O-CB 3.5Å; D481-N485 PolarHBondContact O-N 2.83Å; D481-N485 PolarHBondContact O-ND2 2.86Å; D481-R515 IonicContact OD1-CZ 3.75Å; D481-R515 IonicContact OD1-NH2 3.68Å; D481-R515 PolarHBondContact OD1-NH2 3.04Å
482	D	83.1	Confident	91.6	Very high	103 Å²	103	56 Å²	56	55%	0.551	27%	0.27	S	S	*	.	H	α-helix	trans	-66.2	-55.9	172.8	63.6	-41.7	0	0	0	111.1	A480 Y484 N485 E486	A480-D482 WeakPolarHBondContact CB-OD1 3.33Å; A480-D482 PolarHBondContact O-N 2.93Å; A480-D482 VanDerWaalsContact O-N 3.14Å; D482-Y484 PolarHBondContact O-N 2.83Å; D482-N485 PolarHBondContact O-N 3.49Å; D482-E486 WeakPolarHBondContact O-CB 3.49Å; D482-E486 PolarHBondContact O-N 2.65Å
483	Q	87.5	Confident	91.5	Very high	83 Å²	83	56 Å²	56	39%	0.388	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-30.8	178.1	-58.4	-171.2	6.6	0	0	111.9	I479 A480 K487 F488	I479-Q483 HydrophobicContact CG2-CB 3.95Å; A480-Q483 PolarHBondContact O-N 3.3Å; A480-Q483 VanDerWaalsContact O-N 3.12Å; Q483-K487 WeakPolarHBondContact O-CA 3.5Å; Q483-K487 WeakPolarHBondContact O-CB 3.26Å; Q483-K487 PolarHBondContact O-N 3.32Å; Q483-F488 PolarHBondContact O-N 2.58Å
484	Y	91.8	Very high	91.5	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.016	28%	0.284	C	S	.	.	I	π-helix	trans	-62.7	-53	174.5	-169.5	-86	0	0	0	110.9	I476 I479 A480 D482 F488 W489 L513 R515	I476-Y484 HydrophobicContact CG2-CE2 3.7Å; I479-Y484 HydrophobicContact CB-CD2 4.16Å; I479-Y484 HydrophobicContact CD1-CD2 4.34Å; I479-Y484 HydrophobicContact CG2-CD2 4.44Å; A480-Y484 VanDerWaalsContact O-CB 3.32Å; A480-Y484 WeakPolarHBondContact O-CB 3.23Å; A480-Y484 PolarHBondContact O-N 2.67Å; D482-Y484 PolarHBondContact O-N 2.83Å; Y484-F488 HydrophobicContact CD2-CB 4.32Å; Y484-F488 AromaticContact CD2-CD1 3.9Å; Y484-F488 HydrophobicContact CD2-CD1 3.9Å; Y484-F488 HydrophobicContact CD2-CG 4.29Å; Y484-F488 HydrophobicContact CE1-CD1 4.28Å; Y484-F488 AromaticContact CE2-CD1 3.3Å; Y484-F488 HydrophobicContact CE2-CD1 3.3Å; Y484-F488 AromaticContact CE2-CE1 3.74Å; Y484-F488 HydrophobicContact CE2-CE1 3.74Å; Y484-F488 HydrophobicContact CE2-CG 4.07Å; Y484-F488 AromaticContact CZ-CD1 3.49Å; Y484-F488 VanDerWaalsContact CZ-CD1 3.49Å; Y484-F488 AromaticContact CZ-CE1 3.82Å; Y484-F488 PolarHBondContact O-N 2.74Å; Y484-F488 WeakPolarHBondContact OH-CE1 3.37Å; Y484-W489 HydrophobicContact CE1-CB 4.37Å; Y484-W489 AromaticContact CE1-CE3 3.87Å; Y484-W489 HydrophobicContact CE1-CE3 3.87Å; Y484-W489 VanDerWaalsContact O-CB 3.28Å; Y484-W489 WeakPolarHBondContact O-CB 3.29Å; Y484-W489 PolarHBondContact O-N 2.98Å; Y484-L513 WeakPolarHBondContact CE1-O 3.4Å; Y484-L513 HydrophobicContact CE2-CD2 4.39Å; Y484-L513 PolarHBondContact OH-O 3.4Å; Y484-R515 HydrophobicContact CD1-CG 3.93Å; Y484-R515 HydrophobicContact CE1-CG 3.64Å
485	N	87.8	Confident	91.6	Very high	26 Å²	26	56.4 Å²	56.4	14%	0.139	27%	0.274	C	S	.	.	I	π-helix	trans	-70.2	-39.9	-178.3	-74.4	-9.6	0	0	0	112.4	D481 D482 R515 L525	D481-N485 WeakPolarHBondContact O-CB 3.5Å; D481-N485 PolarHBondContact O-N 2.83Å; D481-N485 PolarHBondContact O-ND2 2.86Å; D482-N485 PolarHBondContact O-N 3.49Å; N485-R515 WeakPolarHBondContact OD1-CD 3.36Å; N485-R515 WeakPolarHBondContact OD1-CG 3.4Å; N485-R515 PolarHBondContact OD1-NE 3.42Å; N485-R515 VanDerWaalsContact OD1-NE 3.09Å; N485-L525 PolarHBondContact ND2-O 2.89Å
486	E	87.3	Confident	91.6	Very high	133 Å²	133	56.4 Å²	56.4	62%	0.621	28%	0.275	S	S	*	.	I	π-helix	trans	-90.5	-24.6	-172.3	-66.8	-156.8	161.6	0	0	115.4	D482 K490	D482-E486 WeakPolarHBondContact O-CB 3.49Å; D482-E486 PolarHBondContact O-N 2.65Å; E486-K490 VanDerWaalsContact O-CD 3.22Å; E486-K490 WeakPolarHBondContact O-CD 3.47Å; E486-K490 WeakPolarHBondContact O-CE 3.44Å; E486-K490 PolarHBondContact O-NZ 3.28Å
487	K	89.9	Confident	91.6	Very high	104 Å²	104	56.4 Å²	56.4	45%	0.452	27%	0.274	S	S	.	.	I	π-helix	trans	-114.4	-70.7	177.4	-56.3	-176.5	179.3	-177.4	0	110.6	L374 Q483 W489 K490 E491	L374-K487 HydrophobicContact CD1-CB 4.05Å; L374-K487 HydrophobicContact CD1-CD 3.71Å; L374-K487 HydrophobicContact CD2-CB 4.22Å; Q483-K487 WeakPolarHBondContact O-CA 3.5Å; Q483-K487 WeakPolarHBondContact O-CB 3.26Å; Q483-K487 PolarHBondContact O-N 3.32Å; K487-W489 VanDerWaalsContact C-N 3.33Å; K487-W489 PolarHBondContact O-N 3.45Å; K487-K490 PolarHBondContact O-N 3.41Å; K487-K490 VanDerWaalsContact O-N 3.16Å; K487-E491 PolarHBondContact O-N 2.99Å
488	F	94.8	Very high	91.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-54.7	-45.7	-169.7	-179.3	-92.8	0	0	0	113.2	L374 I393 F436 I476 I479 Q483 Y484 K490 E491 F492 V496	L374-F488 HydrophobicContact CD2-CB 3.89Å; L374-F488 HydrophobicContact CD2-CD2 4.19Å; I393-F488 HydrophobicContact CD1-CD2 4.27Å; I393-F488 HydrophobicContact CD1-CE2 3.98Å; I393-F488 HydrophobicContact CG2-CD2 3.99Å; I393-F488 HydrophobicContact CG2-CE2 3.99Å; F436-F488 HydrophobicContact CE2-CE2 4.11Å; F436-F488 HydrophobicContact CZ-CE2 4.31Å; F436-F488 HydrophobicContact CZ-CZ 4.28Å; I476-F488 HydrophobicContact CD1-CE2 4.36Å; I476-F488 HydrophobicContact CD1-CZ 3.95Å; I476-F488 HydrophobicContact CG1-CE2 4.11Å; I476-F488 HydrophobicContact CG1-CZ 4Å; I476-F488 HydrophobicContact CG2-CD1 4.41Å; I476-F488 HydrophobicContact CG2-CE1 3.75Å; I476-F488 HydrophobicContact CG2-CE2 4.32Å; I476-F488 HydrophobicContact CG2-CZ 3.7Å; I479-F488 HydrophobicContact CD1-CB 4.13Å; I479-F488 HydrophobicContact CD1-CD2 3.77Å; I479-F488 HydrophobicContact CD1-CE2 4.45Å; I479-F488 HydrophobicContact CD1-CG 3.93Å; Q483-F488 PolarHBondContact O-N 2.58Å; Y484-F488 HydrophobicContact CD2-CB 4.32Å; Y484-F488 AromaticContact CD2-CD1 3.9Å; Y484-F488 HydrophobicContact CD2-CD1 3.9Å; Y484-F488 HydrophobicContact CD2-CG 4.29Å; Y484-F488 HydrophobicContact CE1-CD1 4.28Å; Y484-F488 AromaticContact CE2-CD1 3.3Å; Y484-F488 HydrophobicContact CE2-CD1 3.3Å; Y484-F488 AromaticContact CE2-CE1 3.74Å; Y484-F488 HydrophobicContact CE2-CE1 3.74Å; Y484-F488 HydrophobicContact CE2-CG 4.07Å; Y484-F488 AromaticContact CZ-CD1 3.49Å; Y484-F488 VanDerWaalsContact CZ-CD1 3.49Å; Y484-F488 AromaticContact CZ-CE1 3.82Å; Y484-F488 PolarHBondContact O-N 2.74Å; Y484-F488 WeakPolarHBondContact OH-CE1 3.37Å; F488-K490 PolarHBondContact O-N 3.22Å; F488-E491 PolarHBondContact O-N 3.08Å; F488-F492 HydrophobicContact CD2-CB 4.46Å; F488-F492 AromaticContact CD2-CD2 3.69Å; F488-F492 HydrophobicContact CD2-CD2 3.69Å; F488-F492 HydrophobicContact CD2-CG 4.49Å; F488-F492 HydrophobicContact CE1-CB 4.18Å; F488-F492 HydrophobicContact CE2-CB 3.94Å; F488-F492 AromaticContact CE2-CD2 3.68Å; F488-F492 HydrophobicContact CE2-CD2 3.68Å; F488-F492 HydrophobicContact CE2-CG 4.11Å; F488-F492 HydrophobicContact CG-CD2 4.4Å; F488-F492 HydrophobicContact CZ-CB 3.78Å; F488-F492 HydrophobicContact CZ-CD2 4.4Å; F488-F492 HydrophobicContact CZ-CG 4.44Å; F488-F492 PolarHBondContact O-N 3Å; F488-V496 HydrophobicContact CE1-CG2 3.83Å; F488-V496 HydrophobicContact CZ-CG2 4.25Å
489	W	94.7	Very high	91.7	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.057	22%	0.221	C	C	.	.	H	α-helix	trans	-71.4	-28.6	-174.7	-172.8	-96.7	0	0	0	113.8	Y484 K487 G493 V496 K497 L513 L514 R515 L525	Y484-W489 HydrophobicContact CE1-CB 4.37Å; Y484-W489 AromaticContact CE1-CE3 3.87Å; Y484-W489 HydrophobicContact CE1-CE3 3.87Å; Y484-W489 VanDerWaalsContact O-CB 3.28Å; Y484-W489 WeakPolarHBondContact O-CB 3.29Å; Y484-W489 PolarHBondContact O-N 2.98Å; K487-W489 VanDerWaalsContact C-N 3.33Å; K487-W489 PolarHBondContact O-N 3.45Å; W489-G493 WeakPolarHBondContact O-CA 3.4Å; W489-G493 PolarHBondContact O-N 2.86Å; W489-V496 HydrophobicContact CH2-CB 4.47Å; W489-V496 HydrophobicContact CZ3-CB 3.89Å; W489-V496 HydrophobicContact CZ3-CG1 4.06Å; W489-V496 HydrophobicContact CZ3-CG2 4.21Å; W489-K497 HydrophobicContact CH2-CG 4.24Å; W489-L513 WeakPolarHBondContact CZ3-O 3.38Å; W489-L514 HydrophobicContact CH2-CB 4.39Å; W489-L514 HydrophobicContact CH2-CD2 3.83Å; W489-L514 HydrophobicContact CZ3-CD2 4.47Å; W489-R515 HydrophobicContact CD2-CB 3.76Å; W489-R515 HydrophobicContact CD2-CG 4.18Å; W489-R515 VanDerWaalsContact CE2-O 3.27Å; W489-R515 HydrophobicContact CE3-CB 4.17Å; W489-R515 HydrophobicContact CE3-CG 4.22Å; W489-R515 HydrophobicContact CG-CB 4.08Å; W489-R515 HydrophobicContact CG-CG 4.45Å; W489-R515 HydrophobicContact CZ2-CB 4.2Å; W489-R515 WeakPolarHBondContact CZ2-O 3.42Å; W489-R515 PolarHBondContact NE1-O 3.21Å; W489-L525 HydrophobicContact CG-CD1 4.19Å
490	K	92.3	Very high	91.9	Very high	145 Å²	145	43 Å²	43	63%	0.63	22%	0.217	S	C	*	.	H	α-helix	trans	-69.9	-40.2	176.8	-63.8	-178.1	-169.9	148.6	0	111.4	E486 K487 F488	E486-K490 VanDerWaalsContact O-CD 3.22Å; E486-K490 WeakPolarHBondContact O-CD 3.47Å; E486-K490 WeakPolarHBondContact O-CE 3.44Å; E486-K490 PolarHBondContact O-NZ 3.28Å; K487-K490 PolarHBondContact O-N 3.41Å; K487-K490 VanDerWaalsContact O-N 3.16Å; F488-K490 PolarHBondContact O-N 3.22Å
491	E	93.9	Very high	92.2	Very high	64 Å²	64	43.2 Å²	43.2	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-82.5	-40.6	-177.6	-56	-61.9	132.3	0	0	112.4	S396 A397 K487 F488	S396-E491 VanDerWaalsContact CA-OE2 3.28Å; S396-E491 WeakPolarHBondContact CA-OE2 3.21Å; A397-E491 HydrophobicContact CB-CB 4.41Å; A397-E491 PolarHBondContact N-OE2 2.97Å; K487-E491 PolarHBondContact O-N 2.99Å; F488-E491 PolarHBondContact O-N 3.08Å
492	F	95.8	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-123.3	9.7	-168.9	-50.2	-65	0	0	0	114.4	I393 P394 A397 L401 F436 F488 T494 N495 V496	I393-F492 HydrophobicContact CG2-CD2 4.22Å; I393-F492 HydrophobicContact CG2-CE2 3.89Å; P394-F492 HydrophobicContact CG-CE1 4.42Å; P394-F492 HydrophobicContact CG-CZ 3.85Å; P394-F492 WeakPolarHBondContact O-CE2 3.31Å; A397-F492 HydrophobicContact CB-CE1 4.03Å; L401-F492 HydrophobicContact CD2-CD1 4.37Å; L401-F492 HydrophobicContact CD2-CE1 4.32Å; F436-F492 HydrophobicContact CB-CD1 3.89Å; F436-F492 HydrophobicContact CB-CE1 3.6Å; F436-F492 AromaticContact CD1-CD1 3.93Å; F436-F492 HydrophobicContact CD1-CD1 3.93Å; F436-F492 HydrophobicContact CD1-CE1 4.5Å; F436-F492 AromaticContact CD2-CD1 3.55Å; F436-F492 HydrophobicContact CD2-CD1 3.55Å; F436-F492 HydrophobicContact CD2-CD2 4.33Å; F436-F492 AromaticContact CD2-CE1 3.62Å; F436-F492 HydrophobicContact CD2-CE1 3.62Å; F436-F492 HydrophobicContact CD2-CE2 4.39Å; F436-F492 AromaticContact CD2-CG 3.94Å; F436-F492 HydrophobicContact CD2-CG 3.94Å; F436-F492 HydrophobicContact CD2-CZ 4.08Å; F436-F492 HydrophobicContact CE1-CB 4.49Å; F436-F492 HydrophobicContact CE1-CD1 4.35Å; F436-F492 HydrophobicContact CE2-CB 4.41Å; F436-F492 HydrophobicContact CE2-CD1 4.01Å; F436-F492 HydrophobicContact CE2-CD2 4.27Å; F436-F492 HydrophobicContact CE2-CE1 4.43Å; F436-F492 AromaticContact CE2-CG 3.94Å; F436-F492 HydrophobicContact CE2-CG 3.94Å; F436-F492 AromaticContact CG-CD1 3.5Å; F436-F492 HydrophobicContact CG-CD1 3.5Å; F436-F492 AromaticContact CG-CE1 3.66Å; F436-F492 HydrophobicContact CG-CE1 3.66Å; F436-F492 HydrophobicContact CG-CG 4.27Å; F436-F492 HydrophobicContact CZ-CB 4.28Å; F436-F492 HydrophobicContact CZ-CD1 4.39Å; F436-F492 HydrophobicContact CZ-CG 4.27Å; F488-F492 HydrophobicContact CD2-CB 4.46Å; F488-F492 AromaticContact CD2-CD2 3.69Å; F488-F492 HydrophobicContact CD2-CD2 3.69Å; F488-F492 HydrophobicContact CD2-CG 4.49Å; F488-F492 HydrophobicContact CE1-CB 4.18Å; F488-F492 HydrophobicContact CE2-CB 3.94Å; F488-F492 AromaticContact CE2-CD2 3.68Å; F488-F492 HydrophobicContact CE2-CD2 3.68Å; F488-F492 HydrophobicContact CE2-CG 4.11Å; F488-F492 HydrophobicContact CG-CD2 4.4Å; F488-F492 HydrophobicContact CZ-CB 3.78Å; F488-F492 HydrophobicContact CZ-CD2 4.4Å; F488-F492 HydrophobicContact CZ-CG 4.44Å; F488-F492 PolarHBondContact O-N 3Å; F492-T494 VanDerWaalsContact C-N 3.31Å; F492-T494 PolarHBondContact O-N 3.27Å; F492-N495 HydrophobicContact CB-CB 4.37Å; F492-N495 WeakPolarHBondContact O-CB 3.48Å; F492-N495 PolarHBondContact O-N 3.31Å; F492-N495 VanDerWaalsContact O-N 3.09Å; F492-V496 PolarHBondContact O-N 3.49Å; F492-V496 VanDerWaalsContact O-N 3.07Å
493	G	94.7	Very high	93.1	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-56.7	-43.3	176.2	0	0	0	0	0	112.5	W489 N495 V496 K497	W489-G493 WeakPolarHBondContact O-CA 3.4Å; W489-G493 PolarHBondContact O-N 2.86Å; G493-N495 VanDerWaalsContact C-N 3.34Å; G493-N495 PolarHBondContact O-N 3.32Å; G493-V496 PolarHBondContact O-N 2.88Å; G493-K497 VanDerWaalsContact O-CG 3.27Å; G493-K497 WeakPolarHBondContact O-CG 3.35Å; G493-K497 PolarHBondContact O-N 2.89Å; G493-K497 VanDerWaalsContact O-N 3.09Å
494	T	94.6	Very high	93.3	Very high	46 Å²	46	41.6 Å²	41.6	28%	0.282	20%	0.197	S	C	.	.	H	α-helix	trans	-56.8	-44.3	173.1	-52.3	0	0	0	0	112.1	F402 F492 V496 K497 L498 V576	F402-T494 HydrophobicContact CE1-CG2 4.03Å; F402-T494 HydrophobicContact CE2-CG2 4.3Å; F402-T494 HydrophobicContact CZ-CG2 3.7Å; F492-T494 VanDerWaalsContact C-N 3.31Å; F492-T494 PolarHBondContact O-N 3.27Å; T494-V496 PolarHBondContact O-N 3.46Å; T494-K497 PolarHBondContact O-N 2.92Å; T494-L498 HydrophobicContact CG2-CD1 4.19Å; T494-L498 WeakPolarHBondContact O-CG 3.2Å; T494-L498 PolarHBondContact O-N 2.85Å; T494-V576 HydrophobicContact CG2-CG1 4.43Å
495	N	94.8	Very high	93.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176.5	-75.2	89.2	0	0	0	112.3	F402 Y433 N435 F436 F492 G493 K497 L498 G499	F402-N495 VanDerWaalsContact CZ-OD1 3.26Å; F402-N495 WeakPolarHBondContact CZ-OD1 3.19Å; Y433-N495 VanDerWaalsContact O-CB 3.31Å; Y433-N495 WeakPolarHBondContact O-CB 3.39Å; Y433-N495 PolarHBondContact O-ND2 2.92Å; N435-N495 PolarHBondContact OD1-ND2 2.89Å; N435-N495 VanDerWaalsContact OD1-ND2 3.11Å; F436-N495 HydrophobicContact CD1-CB 4.05Å; F436-N495 HydrophobicContact CE1-CB 3.73Å; F492-N495 HydrophobicContact CB-CB 4.37Å; F492-N495 WeakPolarHBondContact O-CB 3.48Å; F492-N495 PolarHBondContact O-N 3.31Å; F492-N495 VanDerWaalsContact O-N 3.09Å; G493-N495 VanDerWaalsContact C-N 3.34Å; G493-N495 PolarHBondContact O-N 3.32Å; N495-K497 VanDerWaalsContact C-N 3.32Å; N495-K497 PolarHBondContact O-N 2.59Å; N495-L498 PolarHBondContact O-N 2.91Å; N495-G499 PolarHBondContact O-N 3.49Å
496	V	95.9	Very high	93.6	Very high	6 Å²	6	46.8 Å²	46.8	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-62.6	-40.4	176.9	-178.7	0	0	0	0	111.2	F488 W489 F492 G493 T494 G499 V500 L510 L513 L514	F488-V496 HydrophobicContact CE1-CG2 3.83Å; F488-V496 HydrophobicContact CZ-CG2 4.25Å; W489-V496 HydrophobicContact CH2-CB 4.47Å; W489-V496 HydrophobicContact CZ3-CB 3.89Å; W489-V496 HydrophobicContact CZ3-CG1 4.06Å; W489-V496 HydrophobicContact CZ3-CG2 4.21Å; F492-V496 PolarHBondContact O-N 3.49Å; F492-V496 VanDerWaalsContact O-N 3.07Å; G493-V496 PolarHBondContact O-N 2.88Å; T494-V496 PolarHBondContact O-N 3.46Å; V496-G499 PolarHBondContact O-N 3.28Å; V496-V500 PolarHBondContact O-N 3.18Å; V496-L510 HydrophobicContact CG1-CD2 4.21Å; V496-L513 HydrophobicContact CG1-CB 4.05Å; V496-L514 HydrophobicContact CG1-CD2 4.1Å
497	K	95.5	Very high	93.9	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-66.3	-43.3	178.1	-64.5	167.1	-163.4	-173.4	0	112.3	W489 G493 T494 N495 G499 V500 I501 L514 E574 V576 D577 C580	W489-K497 HydrophobicContact CH2-CG 4.24Å; G493-K497 VanDerWaalsContact O-CG 3.27Å; G493-K497 WeakPolarHBondContact O-CG 3.35Å; G493-K497 PolarHBondContact O-N 2.89Å; G493-K497 VanDerWaalsContact O-N 3.09Å; T494-K497 PolarHBondContact O-N 2.92Å; N495-K497 VanDerWaalsContact C-N 3.32Å; N495-K497 PolarHBondContact O-N 2.59Å; K497-G499 VanDerWaalsContact C-N 3.28Å; K497-G499 PolarHBondContact O-N 3.43Å; K497-V500 WeakPolarHBondContact O-CB 3.43Å; K497-V500 PolarHBondContact O-N 2.9Å; K497-I501 WeakPolarHBondContact O-CG1 3.43Å; K497-I501 PolarHBondContact O-N 3.33Å; K497-L514 HydrophobicContact CG-CD2 4.03Å; K497-E574 IonicContact NZ-OE1 2.66Å; K497-E574 PolarHBondContact NZ-OE1 3.43Å; K497-E574 IonicContact NZ-OE2 3.06Å; K497-E574 PolarHBondContact NZ-OE2 2.75Å; K497-V576 HydrophobicContact CB-CG1 4.21Å; K497-V576 HydrophobicContact CB-CG2 4.09Å; K497-V576 HydrophobicContact CD-CG1 3.67Å; K497-D577 WeakPolarHBondContact CD-OD1 3.46Å; K497-D577 WeakPolarHBondContact CE-OD1 3.31Å; K497-D577 IonicContact NZ-OD1 3.95Å; K497-D577 PolarHBondContact NZ-OD1 2.79Å; K497-C580 HydrophobicContact CB-CB 4.05Å; K497-C580 HydrophobicContact CG-CB 4.4Å
498	L	94.3	Very high	94	Very high	32 Å²	32	42.2 Å²	42.2	17%	0.168	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-40.2	171.6	-70.3	170.3	0	0	0	111.2	F402 Y405 T494 N495 V500 I501 E502 V576	F402-L498 HydrophobicContact CD1-CD1 4.44Å; F402-L498 HydrophobicContact CE1-CD1 3.88Å; Y405-L498 HydrophobicContact CE1-CD1 4.36Å; Y405-L498 HydrophobicContact CE2-CD1 4.08Å; T494-L498 HydrophobicContact CG2-CD1 4.19Å; T494-L498 WeakPolarHBondContact O-CG 3.2Å; T494-L498 PolarHBondContact O-N 2.85Å; N495-L498 PolarHBondContact O-N 2.91Å; L498-V500 VanDerWaalsContact C-N 3.35Å; L498-V500 PolarHBondContact O-N 2.91Å; L498-I501 WeakPolarHBondContact O-CB 3.39Å; L498-I501 PolarHBondContact O-N 3.24Å; L498-I501 VanDerWaalsContact O-N 3.08Å; L498-E502 PolarHBondContact O-N 2.82Å; L498-V576 HydrophobicContact CD2-CG2 4.08Å; L498-V576 HydrophobicContact CG-CG2 4.38Å
499	G	94.8	Very high	94	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-38.9	173.7	0	0	0	0	0	113.8	Y433 N495 V496 K497 I501 D503 L510	Y433-G499 VanDerWaalsContact CD2-CA 3.45Å; N495-G499 PolarHBondContact O-N 3.49Å; V496-G499 PolarHBondContact O-N 3.28Å; K497-G499 VanDerWaalsContact C-N 3.28Å; K497-G499 PolarHBondContact O-N 3.43Å; G499-I501 VanDerWaalsContact C-N 3.27Å; G499-I501 PolarHBondContact O-N 2.71Å; G499-D503 WeakPolarHBondContact O-CA 3.5Å; G499-D503 WeakPolarHBondContact O-CB 3.49Å; G499-D503 PolarHBondContact O-N 3.02Å; G499-L510 WeakPolarHBondContact O-CD1 3.43Å
500	V	95.5	Very high	94	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-38	173.6	170.5	0	0	0	0	111	V496 K497 L498 R507 L510 L514 L584	V496-V500 PolarHBondContact O-N 3.18Å; K497-V500 WeakPolarHBondContact O-CB 3.43Å; K497-V500 PolarHBondContact O-N 2.9Å; L498-V500 VanDerWaalsContact C-N 3.35Å; L498-V500 PolarHBondContact O-N 2.91Å; V500-R507 HydrophobicContact CG1-CG 4.28Å; V500-R507 PolarHBondContact O-NE 3.06Å; V500-R507 PolarHBondContact O-NH2 3.41Å; V500-L510 HydrophobicContact CG2-CB 3.66Å; V500-L514 HydrophobicContact CG2-CD1 4.28Å; V500-L514 HydrophobicContact CG2-CD2 4.13Å; V500-L514 HydrophobicContact CG2-CG 4.38Å; V500-L584 HydrophobicContact CG1-CB 4.34Å
501	I	93.3	Very high	94.1	Very high	54 Å²	54	38.7 Å²	38.7	28%	0.277	20%	0.202	S	C	.	.	H	α-helix	trans	-71.2	-51.9	178.5	-60.1	163.8	0	0	0	110.9	K497 L498 G499 R507 V576 A583	K497-I501 WeakPolarHBondContact O-CG1 3.43Å; K497-I501 PolarHBondContact O-N 3.33Å; L498-I501 WeakPolarHBondContact O-CB 3.39Å; L498-I501 PolarHBondContact O-N 3.24Å; L498-I501 VanDerWaalsContact O-N 3.08Å; G499-I501 VanDerWaalsContact C-N 3.27Å; G499-I501 PolarHBondContact O-N 2.71Å; I501-R507 PolarHBondContact O-NH2 2.95Å; I501-V576 HydrophobicContact CD1-CG2 3.96Å; I501-A583 HydrophobicContact CB-CB 4.48Å; I501-A583 HydrophobicContact CG1-CB 4.14Å
502	E	92.3	Very high	94.1	Very high	74 Å²	74	37.9 Å²	37.9	35%	0.346	20%	0.198	S	C	.	.	H	α-helix	trans	-76.3	-46.4	-174.3	-66.8	177.6	-171.3	0	0	113.9	Y405 L498 H504	Y405-E502 WeakPolarHBondContact CE1-OE1 3.38Å; Y405-E502 PolarHBondContact OH-OE1 2.85Å; L498-E502 PolarHBondContact O-N 2.82Å; E502-H504 PolarHBondContact O-CD2 2.76Å; E502-H504 PolarHBondContact O-N 2.81Å
503	D	93.6	Very high	94.1	Very high	22 Å²	22	38.3 Å²	38.3	12%	0.118	20%	0.2	C	C	.	.			trans	-96.1	79.5	-168	-165.8	-21	0	0	0	112.1	Y433 G499 S505 N506 R507 L510	Y433-D503 HydrophobicContact CD1-CB 4.43Å; Y433-D503 HydrophobicContact CE1-CB 3.57Å; Y433-D503 PolarHBondContact OH-OD2 3.22Å; G499-D503 WeakPolarHBondContact O-CA 3.5Å; G499-D503 WeakPolarHBondContact O-CB 3.49Å; G499-D503 PolarHBondContact O-N 3.02Å; D503-S505 PolarHBondContact O-N 3.5Å; D503-S505 WeakPolarHBondContact OD1-CA 3.25Å; D503-S505 WeakPolarHBondContact OD1-CB 3.44Å; D503-S505 PolarHBondContact OD1-N 2.96Å; D503-S505 PolarHBondContact OD1-OG 3.37Å; D503-N506 PolarHBondContact O-N 2.81Å; D503-N506 PolarHBondContact OD1-N 3.19Å; D503-N506 PolarHBondContact OD1-ND2 2.99Å; D503-N506 PolarHBondContact OD2-ND2 2.79Å; D503-R507 WeakPolarHBondContact O-CB 3.47Å; D503-R507 PolarHBondContact O-N 3.32Å; D503-L510 HydrophobicContact CB-CD1 4.16Å
504	H	91.6	Very high	94.1	Very high	144 Å²	144	38.2 Å²	38.2	67%	0.667	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-26.3	171.6	-64.9	-98.7	0	0	0	113.9	E502 R507	E502-H504 PolarHBondContact O-CD2 2.76Å; E502-H504 PolarHBondContact O-N 2.81Å; H504-R507 PolarHBondContact ND1-NH2 2.87Å
505	S	92.6	Very high	94.1	Very high	104 Å²	104	36.8 Å²	36.8	73%	0.727	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-33.4	-176.2	75.2	0	0	0	0	113.3	D503	D503-S505 PolarHBondContact O-N 3.5Å; D503-S505 WeakPolarHBondContact OD1-CA 3.25Å; D503-S505 WeakPolarHBondContact OD1-CB 3.44Å; D503-S505 PolarHBondContact OD1-N 2.96Å; D503-S505 PolarHBondContact OD1-OG 3.37Å
506	N	94.3	Very high	94.1	Very high	35 Å²	35	37 Å²	37	19%	0.187	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-0.8	176.4	-67.2	-71	0	0	0	113.5	L473 D503 T508 R509 L510	L473-N506 HydrophobicContact CD1-CB 3.76Å; D503-N506 PolarHBondContact O-N 2.81Å; D503-N506 PolarHBondContact OD1-N 3.19Å; D503-N506 PolarHBondContact OD1-ND2 2.99Å; D503-N506 PolarHBondContact OD2-ND2 2.79Å; N506-T508 VanDerWaalsContact C-N 3.32Å; N506-T508 PolarHBondContact O-N 3.27Å; N506-T508 VanDerWaalsContact O-N 3.13Å; N506-R509 WeakPolarHBondContact O-CA 3.23Å; N506-R509 WeakPolarHBondContact O-CB 3.49Å; N506-R509 PolarHBondContact O-N 2.72Å; N506-L510 HydrophobicContact CB-CD1 3.88Å; N506-L510 HydrophobicContact CB-CG 4.35Å; N506-L510 PolarHBondContact O-N 3.4Å
507	R	93.4	Very high	94	Very high	36 Å²	36	39.3 Å²	39.3	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-42.9	-49.3	-177.7	-177.4	165.2	-65.3	162.3	11.9	114.4	V500 I501 D503 H504 R509 L510 A511 A583 L584	V500-R507 HydrophobicContact CG1-CG 4.28Å; V500-R507 PolarHBondContact O-NE 3.06Å; V500-R507 PolarHBondContact O-NH2 3.41Å; I501-R507 PolarHBondContact O-NH2 2.95Å; D503-R507 WeakPolarHBondContact O-CB 3.47Å; D503-R507 PolarHBondContact O-N 3.32Å; H504-R507 PolarHBondContact ND1-NH2 2.87Å; R507-R509 VanDerWaalsContact C-N 3.29Å; R507-R509 PolarHBondContact O-N 2.97Å; R507-L510 PolarHBondContact O-N 3Å; R507-A511 VanDerWaalsContact O-CB 3.32Å; R507-A511 WeakPolarHBondContact O-CB 3.43Å; R507-A511 PolarHBondContact O-N 3.48Å; R507-A583 WeakPolarHBondContact CD-O 3.47Å; R507-A583 VanDerWaalsContact CZ-O 3.29Å; R507-A583 PolarHBondContact NE-O 3.1Å; R507-A583 PolarHBondContact NH1-O 3.49Å; R507-L584 HydrophobicContact CG-CD1 3.9Å
508	T	92.1	Very high	94	Very high	104 Å²	104	39.3 Å²	39.3	64%	0.638	20%	0.2	S	C	*	.	H	α-helix	trans	-65.2	-30.2	-180	-44.7	0	0	0	0	113.3	N506	N506-T508 VanDerWaalsContact C-N 3.32Å; N506-T508 PolarHBondContact O-N 3.27Å; N506-T508 VanDerWaalsContact O-N 3.13Å
509	R	93.4	Very high	94	Very high	84 Å²	84	39.6 Å²	39.6	32%	0.317	21%	0.205	S	C	.	.	H	α-helix	trans	-79.5	-41.8	176.1	172.1	169.6	-112.2	-138.6	-4.3	111.3	R470 L473 D474 N506 R507 K512	R470-R509 PolarHBondContact O-NH1 3.47Å; L473-R509 HydrophobicContact CB-CG 4.31Å; L473-R509 HydrophobicContact CD1-CG 4.22Å; D474-R509 IonicContact OD1-CZ 2.74Å; D474-R509 IonicContact OD1-NH1 2.7Å; D474-R509 PolarHBondContact OD1-NH1 3.21Å; D474-R509 IonicContact OD1-NH2 3.69Å; D474-R509 PolarHBondContact OD1-NH2 3.16Å; N506-R509 WeakPolarHBondContact O-CA 3.23Å; N506-R509 WeakPolarHBondContact O-CB 3.49Å; N506-R509 PolarHBondContact O-N 2.72Å; R507-R509 VanDerWaalsContact C-N 3.29Å; R507-R509 PolarHBondContact O-N 2.97Å; R509-K512 PolarHBondContact O-N 2.69Å
510	L	95	Very high	93.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-36.9	175.3	-72.8	159.4	0	0	0	112.1	Y433 L473 V496 G499 V500 D503 N506 R507 K512 L513 L514	Y433-L510 HydrophobicContact CE2-CD1 4.1Å; Y433-L510 HydrophobicContact CE2-CD2 3.96Å; L473-L510 HydrophobicContact CD1-CG 4.43Å; L473-L510 HydrophobicContact CD2-CD2 3.62Å; L473-L510 HydrophobicContact CD2-CG 4.34Å; V496-L510 HydrophobicContact CG1-CD2 4.21Å; G499-L510 WeakPolarHBondContact O-CD1 3.43Å; V500-L510 HydrophobicContact CG2-CB 3.66Å; D503-L510 HydrophobicContact CB-CD1 4.16Å; N506-L510 HydrophobicContact CB-CD1 3.88Å; N506-L510 HydrophobicContact CB-CG 4.35Å; N506-L510 PolarHBondContact O-N 3.4Å; R507-L510 PolarHBondContact O-N 3Å; L510-K512 VanDerWaalsContact C-N 3.25Å; L510-K512 PolarHBondContact O-N 3.44Å; L510-L513 WeakPolarHBondContact O-CA 3.42Å; L510-L513 WeakPolarHBondContact O-CB 3.47Å; L510-L513 PolarHBondContact O-N 3.48Å; L510-L514 PolarHBondContact O-N 2.63Å
511	A	94.9	Very high	93.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-33.2	177.2	0	0	0	0	0	113.2	R507 L513 L514 L584 F587	R507-A511 VanDerWaalsContact O-CB 3.32Å; R507-A511 WeakPolarHBondContact O-CB 3.43Å; R507-A511 PolarHBondContact O-N 3.48Å; A511-L513 VanDerWaalsContact C-N 3.27Å; A511-L513 PolarHBondContact O-N 3.26Å; A511-L514 HydrophobicContact CB-CD1 4.45Å; A511-L514 WeakPolarHBondContact O-CB 3.31Å; A511-L514 PolarHBondContact O-N 2.66Å; A511-L584 HydrophobicContact CB-CD1 3.88Å; A511-L584 HydrophobicContact CB-CD2 3.84Å; A511-F587 HydrophobicContact CB-CD2 3.77Å; A511-F587 HydrophobicContact CB-CE2 3.87Å
512	K	93.8	Very high	92.6	Very high	47 Å²	47	49.3 Å²	49.3	20%	0.204	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.3	176.1	-67.6	179	174.4	-60.7	0	113.1	R509 L510 R515 E529 F587 D588	R509-K512 PolarHBondContact O-N 2.69Å; L510-K512 VanDerWaalsContact C-N 3.25Å; L510-K512 PolarHBondContact O-N 3.44Å; K512-R515 PolarHBondContact O-NH1 2.82Å; K512-E529 WeakPolarHBondContact CD-OE1 3.39Å; K512-E529 WeakPolarHBondContact CE-OE1 3.24Å; K512-E529 HydrophobicContact CG-CG 4.27Å; K512-E529 IonicContact NZ-OE1 2.72Å; K512-E529 PolarHBondContact NZ-OE1 2.96Å; K512-F587 HydrophobicContact CG-CE2 3.66Å; K512-F587 HydrophobicContact CG-CZ 3.76Å; K512-D588 VanDerWaalsContact NZ-CG 3.33Å; K512-D588 IonicContact NZ-OD1 3.37Å; K512-D588 PolarHBondContact NZ-OD1 2.9Å; K512-D588 IonicContact NZ-OD2 3.13Å; K512-D588 PolarHBondContact NZ-OD2 3.05Å
513	L	95	Very high	92	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.047	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-15.9	173.2	-62.6	175.4	0	0	0	112.5	L473 I476 K477 Y484 W489 V496 L510 A511 R515	L473-L513 HydrophobicContact CD2-CD1 4.1Å; I476-L513 HydrophobicContact CB-CD1 4.39Å; I476-L513 HydrophobicContact CG2-CD1 3.79Å; I476-L513 HydrophobicContact CG2-CD2 4.13Å; K477-L513 HydrophobicContact CB-CD2 4.15Å; Y484-L513 WeakPolarHBondContact CE1-O 3.4Å; Y484-L513 HydrophobicContact CE2-CD2 4.39Å; Y484-L513 PolarHBondContact OH-O 3.4Å; W489-L513 WeakPolarHBondContact CZ3-O 3.38Å; V496-L513 HydrophobicContact CG1-CB 4.05Å; L510-L513 WeakPolarHBondContact O-CA 3.42Å; L510-L513 WeakPolarHBondContact O-CB 3.47Å; L510-L513 PolarHBondContact O-N 3.48Å; A511-L513 VanDerWaalsContact C-N 3.27Å; A511-L513 PolarHBondContact O-N 3.26Å; L513-R515 PolarHBondContact O-NH1 3.37Å
514	L	95.6	Very high	91.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.296	C	S	.	.			trans	-59.3	143.9	177.1	-63	174.2	0	0	0	111.8	W489 V496 K497 V500 L510 A511 F516 L528 L584	W489-L514 HydrophobicContact CH2-CB 4.39Å; W489-L514 HydrophobicContact CH2-CD2 3.83Å; W489-L514 HydrophobicContact CZ3-CD2 4.47Å; V496-L514 HydrophobicContact CG1-CD2 4.1Å; K497-L514 HydrophobicContact CG-CD2 4.03Å; V500-L514 HydrophobicContact CG2-CD1 4.28Å; V500-L514 HydrophobicContact CG2-CD2 4.13Å; V500-L514 HydrophobicContact CG2-CG 4.38Å; L510-L514 PolarHBondContact O-N 2.63Å; A511-L514 HydrophobicContact CB-CD1 4.45Å; A511-L514 WeakPolarHBondContact O-CB 3.31Å; A511-L514 PolarHBondContact O-N 2.66Å; L514-F516 HydrophobicContact CB-CD2 4.42Å; L514-F516 HydrophobicContact CB-CE2 3.71Å; L514-F516 HydrophobicContact CB-CZ 4.13Å; L514-F516 HydrophobicContact CD1-CE2 3.94Å; L514-F516 HydrophobicContact CD1-CZ 4.02Å; L514-F516 HydrophobicContact CD2-CZ 4.31Å; L514-F516 HydrophobicContact CG-CE2 4.32Å; L514-F516 HydrophobicContact CG-CZ 4.39Å; L514-L528 HydrophobicContact CB-CD1 4.41Å; L514-L528 HydrophobicContact CD1-CD1 3.95Å; L514-L584 HydrophobicContact CD1-CD2 4.26Å
515	R	94.6	Very high	91.6	Very high	17 Å²	17	49 Å²	49	6%	0.064	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.2	173.8	-62.4	-69.1	-176.2	-86.7	6.4	109.2	D481 Y484 N485 W489 K512 L513 L525 S526 S527	D481-R515 IonicContact OD1-CZ 3.75Å; D481-R515 IonicContact OD1-NH2 3.68Å; D481-R515 PolarHBondContact OD1-NH2 3.04Å; Y484-R515 HydrophobicContact CD1-CG 3.93Å; Y484-R515 HydrophobicContact CE1-CG 3.64Å; N485-R515 WeakPolarHBondContact OD1-CD 3.36Å; N485-R515 WeakPolarHBondContact OD1-CG 3.4Å; N485-R515 PolarHBondContact OD1-NE 3.42Å; N485-R515 VanDerWaalsContact OD1-NE 3.09Å; W489-R515 HydrophobicContact CD2-CB 3.76Å; W489-R515 HydrophobicContact CD2-CG 4.18Å; W489-R515 VanDerWaalsContact CE2-O 3.27Å; W489-R515 HydrophobicContact CE3-CB 4.17Å; W489-R515 HydrophobicContact CE3-CG 4.22Å; W489-R515 HydrophobicContact CG-CB 4.08Å; W489-R515 HydrophobicContact CG-CG 4.45Å; W489-R515 HydrophobicContact CZ2-CB 4.2Å; W489-R515 WeakPolarHBondContact CZ2-O 3.42Å; W489-R515 PolarHBondContact NE1-O 3.21Å; K512-R515 PolarHBondContact O-NH1 2.82Å; L513-R515 PolarHBondContact O-NH1 3.37Å; R515-L525 HydrophobicContact CB-CB 4.01Å; R515-L525 HydrophobicContact CB-CD1 4.29Å; R515-S526 WeakPolarHBondContact CA-O 3.28Å; R515-S527 VanDerWaalsContact NH1-CB 3.34Å
516	F	94.4	Very high	91.5	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	157.7	-179	-61.3	-71.7	0	0	0	111.6	L514 L525 S526 L528 I570 L572 I581	L514-F516 HydrophobicContact CB-CD2 4.42Å; L514-F516 HydrophobicContact CB-CE2 3.71Å; L514-F516 HydrophobicContact CB-CZ 4.13Å; L514-F516 HydrophobicContact CD1-CE2 3.94Å; L514-F516 HydrophobicContact CD1-CZ 4.02Å; L514-F516 HydrophobicContact CD2-CZ 4.31Å; L514-F516 HydrophobicContact CG-CE2 4.32Å; L514-F516 HydrophobicContact CG-CZ 4.39Å; F516-L525 WeakPolarHBondContact O-CA 3.44Å; F516-S526 PolarHBondContact N-O 2.83Å; F516-S526 PolarHBondContact O-N 2.79Å; F516-L528 HydrophobicContact CD2-CD2 4.11Å; F516-L528 HydrophobicContact CE2-CD2 4.15Å; F516-L528 HydrophobicContact CE2-CG 4.4Å; F516-I570 HydrophobicContact CB-CG2 3.43Å; F516-I570 VanDerWaalsContact CB-CG2 3.43Å; F516-I570 HydrophobicContact CD2-CG2 4.11Å; F516-I570 HydrophobicContact CG-CG2 3.8Å; F516-L572 HydrophobicContact CD1-CD2 3.51Å; F516-L572 HydrophobicContact CE1-CD2 3.62Å; F516-L572 HydrophobicContact CG-CD2 4.1Å; F516-L572 HydrophobicContact CZ-CD2 4.28Å; F516-I581 HydrophobicContact CE2-CD1 4.08Å; F516-I581 HydrophobicContact CZ-CD1 3.93Å
517	Q	94	Very high	91.5	Very high	54 Å²	54	43.1 Å²	43.1	25%	0.252	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	145.2	168	-62.3	-179.2	32.2	0	0	108.9	L525 R550 Y571	Q517-L525 HydrophobicContact CB-CD2 4.42Å; Q517-L525 HydrophobicContact CG-CD2 3.49Å; Q517-L525 VanDerWaalsContact CG-CD2 3.49Å; Q517-R550 VanDerWaalsContact OE1-CD 3.24Å; Q517-R550 VanDerWaalsContact OE1-CG 3.22Å; Q517-Y571 PolarHBondContact O-N 3.43Å
518	T	94.9	Very high	91.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	164.1	177.4	82.1	0	0	0	0	111.7	N520 S521 E568 V569 I570	T518-N520 PolarHBondContact O-N 3.4Å; T518-N520 PolarHBondContact OG1-N 2.85Å; T518-S521 PolarHBondContact O-N 3.19Å; T518-E568 WeakPolarHBondContact CB-OE1 3.3Å; T518-E568 WeakPolarHBondContact CG2-OE1 3.45Å; T518-E568 PolarHBondContact OG1-OE1 2.74Å; T518-V569 CarbonylContact C-O 3.59Å; T518-V569 VanDerWaalsContact CA-O 3.26Å; T518-V569 WeakPolarHBondContact CA-O 2.98Å; T518-V569 WeakPolarHBondContact CB-O 3.41Å; T518-I570 HydrophobicContact CG2-CG1 4.21Å
519	S	93.8	Very high	91.7	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	7.1	174.9	74.4	0	0	0	0	114.9	L563 E568 V569 Y571	S519-L563 WeakPolarHBondContact OG-CD2 3.19Å; S519-E568 WeakPolarHBondContact OG-CA 3.32Å; S519-V569 PolarHBondContact N-O 3.45Å; S519-V569 PolarHBondContact OG-N 3.49Å; S519-Y571 WeakPolarHBondContact CB-OH 3.16Å
520	N	90.3	Very high	91.7	Very high	100 Å²	100	38.1 Å²	38.1	54%	0.535	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-10.3	174.3	-170.9	77.3	0	0	0	112.5	T518 E568	T518-N520 PolarHBondContact O-N 3.4Å; T518-N520 PolarHBondContact OG1-N 2.85Å; N520-E568 HydrophobicContact CB-CG 4.07Å
521	S	85.5	Confident	91.7	Very high	28 Å²	28	38.1 Å²	38.1	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	136.8	174.6	-169.5	0	0	0	0	113	T518 T523 V524 R550	T518-S521 PolarHBondContact O-N 3.19Å; S521-T523 VanDerWaalsContact C-N 3.33Å; S521-V524 WeakPolarHBondContact OG-CB 3.29Å; S521-V524 PolarHBondContact OG-N 3.1Å; S521-V524 VanDerWaalsContact OG-N 3.09Å; S521-R550 PolarHBondContact O-NH1 3.41Å; S521-R550 PolarHBondContact O-NH2 3.2Å
522	D	80.3	Confident	91.7	Very high	130 Å²	130	39.9 Å²	39.9	70%	0.695	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	-17.7	-179.8	-65.1	-34.6	0	0	0	113.9	R550	D522-R550 PolarHBondContact O-NH1 3.22Å; D522-R550 IonicContact OD1-NH2 2.77Å; D522-R550 PolarHBondContact OD1-NH2 3.24Å
523	T	78.3	Confident	91.7	Very high	122 Å²	122	45 Å²	45	75%	0.748	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	-32.7	-176.7	54.6	0	0	0	0	114.4	S521	S521-T523 VanDerWaalsContact C-N 3.33Å
524	V	85.9	Confident	91.6	Very high	81 Å²	81	49 Å²	49	49%	0.491	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.7	-171.3	-172.3	0	0	0	0	111	S521	S521-V524 WeakPolarHBondContact OG-CB 3.29Å; S521-V524 PolarHBondContact OG-N 3.1Å; S521-V524 VanDerWaalsContact OG-N 3.09Å
525	L	90.6	Very high	91.5	Very high	30 Å²	30	50.1 Å²	50.1	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.8	173.4	-57.1	173.2	0	0	0	110.6	N485 W489 R515 F516 Q517	N485-L525 PolarHBondContact ND2-O 2.89Å; W489-L525 HydrophobicContact CG-CD1 4.19Å; R515-L525 HydrophobicContact CB-CB 4.01Å; R515-L525 HydrophobicContact CB-CD1 4.29Å; F516-L525 WeakPolarHBondContact O-CA 3.44Å; Q517-L525 HydrophobicContact CB-CD2 4.42Å; Q517-L525 HydrophobicContact CG-CD2 3.49Å; Q517-L525 VanDerWaalsContact CG-CD2 3.49Å
526	S	91.9	Very high	91.2	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.063	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.3	174.3	-67.5	0	0	0	0	111.8	R515 F516 R534	R515-S526 WeakPolarHBondContact CA-O 3.28Å; F516-S526 PolarHBondContact N-O 2.83Å; F516-S526 PolarHBondContact O-N 2.79Å; S526-R534 PolarHBondContact OG-NH2 3.45Å
527	S	94.4	Very high	90.7	Very high	7 Å²	7	62.4 Å²	62.4	5%	0.049	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	163.6	165.9	82	0	0	0	0	111.8	R515 E529 Q530 Y531	R515-S527 VanDerWaalsContact NH1-CB 3.34Å; S527-E529 VanDerWaalsContact C-N 3.28Å; S527-E529 PolarHBondContact O-N 3.25Å; S527-E529 PolarHBondContact OG-N 3.05Å; S527-Q530 PolarHBondContact O-N 3.12Å; S527-Q530 WeakPolarHBondContact OG-CG 3.29Å; S527-Q530 PolarHBondContact OG-N 3.41Å; S527-Q530 VanDerWaalsContact OG-N 3.08Å; S527-Y531 PolarHBondContact O-N 3.01Å; S527-Y531 VanDerWaalsContact O-N 3.07Å
528	L	94.6	Very high	90.2	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-66.1	-30.5	171.9	-67.1	179.6	0	0	0	112.5	L514 F516 Y531 V532 I570 L584 F587 F592	L514-L528 HydrophobicContact CB-CD1 4.41Å; L514-L528 HydrophobicContact CD1-CD1 3.95Å; F516-L528 HydrophobicContact CD2-CD2 4.11Å; F516-L528 HydrophobicContact CE2-CD2 4.15Å; F516-L528 HydrophobicContact CE2-CG 4.4Å; L528-Y531 PolarHBondContact O-N 3.19Å; L528-V532 WeakPolarHBondContact O-CG2 3.42Å; L528-V532 PolarHBondContact O-N 2.91Å; L528-I570 HydrophobicContact CD2-CD1 3.68Å; L528-L584 HydrophobicContact CD1-CD2 4.1Å; L528-F587 HydrophobicContact CB-CD1 3.84Å; L528-F587 HydrophobicContact CB-CD2 4.17Å; L528-F587 HydrophobicContact CB-CE1 3.54Å; L528-F587 HydrophobicContact CB-CE2 3.88Å; L528-F587 HydrophobicContact CB-CG 4.13Å; L528-F587 HydrophobicContact CB-CZ 3.54Å; L528-F587 HydrophobicContact CD1-CD2 3.74Å; L528-F587 HydrophobicContact CD1-CE2 4Å; L528-F587 HydrophobicContact CD1-CG 4.02Å; L528-F592 HydrophobicContact CD1-CE1 4.41Å; L528-F592 HydrophobicContact CD1-CZ 3.95Å; L528-F592 HydrophobicContact CD2-CE1 4.06Å; L528-F592 HydrophobicContact CD2-CZ 4.37Å
529	E	94.3	Very high	89.9	Confident	61 Å²	61	67 Å²	67	29%	0.285	34%	0.34	S	S	.	.	H	α-helix	trans	-64.7	-47	175	-57.6	-174.4	126.4	0	0	110.1	K512 S527 Y531 V532 E533 F587	K512-E529 WeakPolarHBondContact CD-OE1 3.39Å; K512-E529 WeakPolarHBondContact CE-OE1 3.24Å; K512-E529 HydrophobicContact CG-CG 4.27Å; K512-E529 IonicContact NZ-OE1 2.72Å; K512-E529 PolarHBondContact NZ-OE1 2.96Å; S527-E529 VanDerWaalsContact C-N 3.28Å; S527-E529 PolarHBondContact O-N 3.25Å; S527-E529 PolarHBondContact OG-N 3.05Å; E529-Y531 VanDerWaalsContact C-N 3.32Å; E529-Y531 PolarHBondContact O-N 3.05Å; E529-V532 PolarHBondContact O-N 3.26Å; E529-E533 WeakPolarHBondContact O-CG 3.43Å; E529-E533 PolarHBondContact O-N 3.49Å; E529-F587 HydrophobicContact CG-CE1 4.07Å; E529-F587 HydrophobicContact CG-CZ 3.66Å
530	Q	93.3	Very high	89.7	Confident	57 Å²	57	69.3 Å²	69.3	27%	0.266	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-32.3	176.1	-71.8	169.1	-12	0	0	113.5	S527 R534	S527-Q530 PolarHBondContact O-N 3.12Å; S527-Q530 WeakPolarHBondContact OG-CG 3.29Å; S527-Q530 PolarHBondContact OG-N 3.41Å; S527-Q530 VanDerWaalsContact OG-N 3.08Å; Q530-R534 WeakPolarHBondContact O-CG 3.44Å; Q530-R534 PolarHBondContact O-N 2.62Å; Q530-R534 PolarHBondContact O-NE 3.38Å; Q530-R534 PolarHBondContact O-NH1 2.83Å
531	Y	95.3	Very high	89.8	Confident	2 Å²	2	67 Å²	67	1%	0.008	33%	0.334	C	S	.	.	H	α-helix	trans	-65.9	-45.9	170.2	-179	-79.3	0	0	0	110.6	S527 L528 E529 E533 R534 M535 Q539 I542 Y543 E568 I570	S527-Y531 PolarHBondContact O-N 3.01Å; S527-Y531 VanDerWaalsContact O-N 3.07Å; L528-Y531 PolarHBondContact O-N 3.19Å; E529-Y531 VanDerWaalsContact C-N 3.32Å; E529-Y531 PolarHBondContact O-N 3.05Å; Y531-E533 VanDerWaalsContact C-N 3.34Å; Y531-E533 PolarHBondContact O-N 3.13Å; Y531-R534 CarbonylContact O-C 3.53Å; Y531-R534 PolarHBondContact O-N 3.02Å; Y531-M535 HydrophobicContact CD1-CG 3.85Å; Y531-M535 HydrophobicContact CD1-SD 4.12Å; Y531-M535 HydrophobicContact CE1-CE 4.43Å; Y531-M535 HydrophobicContact CE1-CG 3.66Å; Y531-M535 HydrophobicContact CE1-SD 3.98Å; Y531-M535 WeakPolarHBondContact O-CG 3.38Å; Y531-M535 PolarHBondContact O-N 3.08Å; Y531-M535 VanDerWaalsContact O-N 3.12Å; Y531-Q539 PolarHBondContact OH-NE2 2.81Å; Y531-Q539 VanDerWaalsContact OH-NE2 3.1Å; Y531-I542 HydrophobicContact CD1-CB 4.44Å; Y531-I542 HydrophobicContact CD1-CG1 4Å; Y531-I542 HydrophobicContact CD1-CG2 3.99Å; Y531-I542 HydrophobicContact CE1-CB 3.96Å; Y531-I542 HydrophobicContact CE1-CG1 3.82Å; Y531-I542 HydrophobicContact CE1-CG2 3.71Å; Y531-Y543 PolarHBondContact OH-N 2.91Å; Y531-Y543 VanDerWaalsContact OH-N 3.13Å; Y531-E568 HydrophobicContact CD2-CB 4.25Å; Y531-E568 HydrophobicContact CD2-CG 3.89Å; Y531-E568 HydrophobicContact CE2-CB 3.71Å; Y531-E568 HydrophobicContact CE2-CG 3.7Å; Y531-E568 WeakPolarHBondContact CE2-O 3.44Å; Y531-E568 PolarHBondContact OH-O 2.64Å; Y531-I570 HydrophobicContact CD2-CD1 3.96Å; Y531-I570 HydrophobicContact CD2-CG1 3.67Å; Y531-I570 HydrophobicContact CE2-CD1 4.28Å; Y531-I570 HydrophobicContact CE2-CG1 3.75Å; Y531-I570 HydrophobicContact CG-CD1 4.26Å; Y531-I570 HydrophobicContact CG-CG1 4.46Å
532	V	94.1	Very high	90.3	Very high	36 Å²	36	65.6 Å²	65.6	22%	0.218	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-38.7	-179.2	171.4	0	0	0	0	111.9	L528 E529 R534 M535 I542 F587 K590	L528-V532 WeakPolarHBondContact O-CG2 3.42Å; L528-V532 PolarHBondContact O-N 2.91Å; E529-V532 PolarHBondContact O-N 3.26Å; V532-R534 PolarHBondContact O-N 2.87Å; V532-M535 HydrophobicContact CB-SD 4.25Å; V532-M535 HydrophobicContact CG1-SD 4.37Å; V532-M535 HydrophobicContact CG2-SD 3.92Å; V532-M535 WeakPolarHBondContact O-CB 3.41Å; V532-M535 PolarHBondContact O-N 3.39Å; V532-I542 HydrophobicContact CG2-CD1 4.29Å; V532-F587 HydrophobicContact CG2-CD1 3.99Å; V532-F587 HydrophobicContact CG2-CE1 4.21Å; V532-K590 HydrophobicContact CG2-CG 4.46Å
533	E	94.1	Very high	91	Very high	156 Å²	156	59.9 Å²	59.9	73%	0.729	29%	0.293	S	S	*	.	H	α-helix	trans	-60.9	-29.4	173.1	-71.1	172.2	165.6	0	0	113.4	E529 Y531	E529-E533 WeakPolarHBondContact O-CG 3.43Å; E529-E533 PolarHBondContact O-N 3.49Å; Y531-E533 VanDerWaalsContact C-N 3.34Å; Y531-E533 PolarHBondContact O-N 3.13Å
534	R	93.9	Very high	91.8	Very high	91 Å²	91	54.8 Å²	54.8	34%	0.343	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-1	177.8	-64.4	-173	-59.4	-105.8	10.2	113.9	S526 Q530 Y531 V532 E568	S526-R534 PolarHBondContact OG-NH2 3.45Å; Q530-R534 WeakPolarHBondContact O-CG 3.44Å; Q530-R534 PolarHBondContact O-N 2.62Å; Q530-R534 PolarHBondContact O-NE 3.38Å; Q530-R534 PolarHBondContact O-NH1 2.83Å; Y531-R534 CarbonylContact O-C 3.53Å; Y531-R534 PolarHBondContact O-N 3.02Å; V532-R534 PolarHBondContact O-N 2.87Å; R534-E568 IonicContact CZ-OE1 2.63Å; R534-E568 IonicContact CZ-OE2 3.5Å; R534-E568 IonicContact NE-OE1 2.64Å; R534-E568 IonicContact NE-OE2 2.71Å; R534-E568 PolarHBondContact NE-OE2 2.9Å; R534-E568 IonicContact NH2-OE1 3.51Å; R534-E568 PolarHBondContact NH2-OE1 3.19Å; R534-E568 IonicContact NH2-OE2 3.34Å; R534-E568 PolarHBondContact NH2-OE2 2.87Å
535	M	92.6	Very high	92.3	Very high	24 Å²	24	51.5 Å²	51.5	12%	0.118	24%	0.24	C	C	.	.	S	Bend	trans	-65.3	141.7	175.3	-71	178.7	80.8	0	0	111.1	Y531 V532 Q539 K541 I542 K590	Y531-M535 HydrophobicContact CD1-CG 3.85Å; Y531-M535 HydrophobicContact CD1-SD 4.12Å; Y531-M535 HydrophobicContact CE1-CE 4.43Å; Y531-M535 HydrophobicContact CE1-CG 3.66Å; Y531-M535 HydrophobicContact CE1-SD 3.98Å; Y531-M535 WeakPolarHBondContact O-CG 3.38Å; Y531-M535 PolarHBondContact O-N 3.08Å; Y531-M535 VanDerWaalsContact O-N 3.12Å; V532-M535 HydrophobicContact CB-SD 4.25Å; V532-M535 HydrophobicContact CG1-SD 4.37Å; V532-M535 HydrophobicContact CG2-SD 3.92Å; V532-M535 WeakPolarHBondContact O-CB 3.41Å; V532-M535 PolarHBondContact O-N 3.39Å; M535-Q539 HydrophobicContact CB-CB 4.33Å; M535-Q539 HydrophobicContact CE-CB 3.93Å; M535-Q539 HydrophobicContact CE-CG 3.55Å; M535-Q539 WeakPolarHBondContact CE-O 3.43Å; M535-K541 VanDerWaalsContact CE-O 3.27Å; M535-K541 WeakPolarHBondContact CE-O 3.27Å; M535-I542 HydrophobicContact CE-CG1 4.43Å; M535-I542 HydrophobicContact SD-CG1 4.27Å; M535-K590 HydrophobicContact CE-CB 4.32Å; M535-K590 HydrophobicContact CE-CD 3.81Å; M535-K590 HydrophobicContact CE-CG 3.98Å; M535-K590 HydrophobicContact SD-CB 4.45Å; M535-K590 HydrophobicContact SD-CD 4.1Å; M535-K590 HydrophobicContact SD-CG 3.82Å
536	K	89.8	Confident	92.4	Very high	81 Å²	81	50.4 Å²	50.4	35%	0.352	24%	0.235	S	C	.	.			trans	-67.6	151.1	173.8	-64	171	-173.1	160.9	0	110.4	K538 Q539 K565 G566 Y567	K536-K538 PolarHBondContact O-N 3Å; K536-Q539 HydrophobicContact CB-CB 4.31Å; K536-Q539 VanDerWaalsContact O-CB 3.26Å; K536-Q539 WeakPolarHBondContact O-CB 3.25Å; K536-Q539 PolarHBondContact O-N 3.26Å; K536-K565 PolarHBondContact NZ-O 2.97Å; K536-G566 WeakPolarHBondContact CE-O 3.49Å; K536-G566 PolarHBondContact NZ-O 3.19Å; K536-Y567 HydrophobicContact CD-CD1 4.13Å; K536-Y567 HydrophobicContact CD-CE1 3.91Å
537	E	83.2	Confident	92.4	Very high	200 Å²	200	50.1 Å²	50.1	94%	0.935	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45	-38.6	-176.7	-59	-179.7	145.1	0	0	114.5
538	K	84.1	Confident	92.1	Very high	143 Å²	143	53.5 Å²	53.5	62%	0.622	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	6.1	-178.3	-61.6	-172.1	177.6	-174.6	0	115.3	K536 E603	K536-K538 PolarHBondContact O-N 3Å; K538-E603 VanDerWaalsContact CD-CD 3.43Å; K538-E603 VanDerWaalsContact CD-OE1 3.23Å; K538-E603 WeakPolarHBondContact CD-OE1 3.45Å; K538-E603 WeakPolarHBondContact CD-OE2 3.3Å; K538-E603 IonicContact NZ-OE1 2.71Å; K538-E603 PolarHBondContact NZ-OE1 3.48Å; K538-E603 IonicContact NZ-OE2 2.74Å; K538-E603 PolarHBondContact NZ-OE2 3.4Å
539	Q	88.8	Confident	92	Very high	9 Å²	9	55.7 Å²	55.7	4%	0.042	27%	0.27	C	S	.	.			trans	-83.4	118.7	-177.5	-168.2	-177.2	-27.2	0	0	109.9	Y531 M535 K536 K541 Y543 Y567 K590	Y531-Q539 PolarHBondContact OH-NE2 2.81Å; Y531-Q539 VanDerWaalsContact OH-NE2 3.1Å; M535-Q539 HydrophobicContact CB-CB 4.33Å; M535-Q539 HydrophobicContact CE-CB 3.93Å; M535-Q539 HydrophobicContact CE-CG 3.55Å; M535-Q539 WeakPolarHBondContact CE-O 3.43Å; K536-Q539 HydrophobicContact CB-CB 4.31Å; K536-Q539 VanDerWaalsContact O-CB 3.26Å; K536-Q539 WeakPolarHBondContact O-CB 3.25Å; K536-Q539 PolarHBondContact O-N 3.26Å; Q539-K541 WeakPolarHBondContact CG-O 3.32Å; Q539-K541 PolarHBondContact NE2-O 3.41Å; Q539-Y543 HydrophobicContact CG-CE2 4.09Å; Q539-Y567 HydrophobicContact CG-CD1 4.33Å; Q539-Y567 HydrophobicContact CG-CE1 4.22Å; Q539-K590 PolarHBondContact O-NZ 2.81Å
540	D	88.8	Confident	91.9	Very high	87 Å²	87	54.5 Å²	54.5	47%	0.465	26%	0.262	S	S	.	.			trans	-105.1	-6.5	178.8	74.3	-42.9	0	0	0	113.3	R591	D540-R591 PolarHBondContact O-N 2.92Å
541	K	92.8	Very high	91.8	Very high	51 Å²	51	59.4 Å²	59.4	22%	0.222	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.9	-179.9	-58.6	-59.2	-179.7	-103.2	0	113.6	M535 Q539 Y543 R591 Q593	M535-K541 VanDerWaalsContact CE-O 3.27Å; M535-K541 WeakPolarHBondContact CE-O 3.27Å; Q539-K541 WeakPolarHBondContact CG-O 3.32Å; Q539-K541 PolarHBondContact NE2-O 3.41Å; K541-Y543 HydrophobicContact CB-CD1 4.43Å; K541-Y543 HydrophobicContact CB-CE1 4.04Å; K541-R591 CarbonylContact C-O 3.57Å; K541-R591 VanDerWaalsContact CA-O 3.23Å; K541-R591 WeakPolarHBondContact CA-O 3.48Å; K541-R591 HydrophobicContact CD-CB 3.96Å; K541-R591 WeakPolarHBondContact CD-O 3.42Å; K541-Q593 HydrophobicContact CB-CB 4Å; K541-Q593 HydrophobicContact CD-CB 4.34Å; K541-Q593 HydrophobicContact CG-CB 4.19Å
542	I	95.3	Very high	91.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	115	163.3	-61.9	172.2	0	0	0	107.1	Y531 V532 M535 I570 F587 K590 R591 F592 Q593	Y531-I542 HydrophobicContact CD1-CB 4.44Å; Y531-I542 HydrophobicContact CD1-CG1 4Å; Y531-I542 HydrophobicContact CD1-CG2 3.99Å; Y531-I542 HydrophobicContact CE1-CB 3.96Å; Y531-I542 HydrophobicContact CE1-CG1 3.82Å; Y531-I542 HydrophobicContact CE1-CG2 3.71Å; V532-I542 HydrophobicContact CG2-CD1 4.29Å; M535-I542 HydrophobicContact CE-CG1 4.43Å; M535-I542 HydrophobicContact SD-CG1 4.27Å; I542-I570 HydrophobicContact CG2-CD1 3.51Å; I542-I570 HydrophobicContact CG2-CG1 4.32Å; I542-F587 HydrophobicContact CD1-CB 4.1Å; I542-F587 HydrophobicContact CD1-CD1 4.46Å; I542-K590 HydrophobicContact CD1-CB 4.04Å; I542-K590 HydrophobicContact CG1-CB 3.93Å; I542-R591 PolarHBondContact N-O 2.87Å; I542-F592 HydrophobicContact CB-CD1 3.89Å; I542-F592 HydrophobicContact CB-CE1 4.09Å; I542-F592 HydrophobicContact CD1-CD1 4.37Å; I542-F592 HydrophobicContact CD1-CE1 3.81Å; I542-F592 HydrophobicContact CD1-CE2 4.45Å; I542-F592 HydrophobicContact CD1-CZ 3.84Å; I542-F592 HydrophobicContact CG2-CD1 3.74Å; I542-F592 HydrophobicContact CG2-CE1 3.73Å; I542-F592 CarbonylContact O-C 3.59Å; I542-F592 WeakPolarHBondContact O-CA 3.36Å; I542-Q593 PolarHBondContact O-N 3.44Å
543	Y	95.4	Very high	91.5	Very high	10 Å²	10	60.6 Å²	60.6	4%	0.039	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.4	-178.2	-61.5	-70.8	0	0	0	110.9	Y531 Q539 K541 L562 Y567 V569 I570 Q593 V595	Y531-Y543 PolarHBondContact OH-N 2.91Å; Y531-Y543 VanDerWaalsContact OH-N 3.13Å; Q539-Y543 HydrophobicContact CG-CE2 4.09Å; K541-Y543 HydrophobicContact CB-CD1 4.43Å; K541-Y543 HydrophobicContact CB-CE1 4.04Å; Y543-L562 HydrophobicContact CD1-CD2 3.71Å; Y543-L562 HydrophobicContact CD2-CD2 3.97Å; Y543-L562 HydrophobicContact CE1-CD2 4.26Å; Y543-L562 HydrophobicContact CE2-CD2 4.48Å; Y543-L562 HydrophobicContact CG-CD2 3.54Å; Y543-Y567 HydrophobicContact CD2-CD1 4.39Å; Y543-Y567 AromaticContact CE2-CD1 3.8Å; Y543-Y567 HydrophobicContact CE2-CD1 3.8Å; Y543-Y567 HydrophobicContact CE2-CE1 4.21Å; Y543-Y567 HydrophobicContact CE2-CG 4.24Å; Y543-V569 WeakPolarHBondContact O-CA 3.37Å; Y543-I570 PolarHBondContact O-N 3.41Å; Y543-Q593 WeakPolarHBondContact CA-O 3.4Å; Y543-Q593 HydrophobicContact CD1-CB 4.13Å; Y543-Q593 HydrophobicContact CD1-CG 4.11Å; Y543-Q593 HydrophobicContact CE1-CB 4.44Å; Y543-Q593 HydrophobicContact CE1-CG 4.23Å; Y543-V595 HydrophobicContact CD1-CG1 4.43Å
544	F	95.7	Very high	91.4	Very high	15 Å²	15	56.5 Å²	56.5	7%	0.066	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.4	178	74.9	-87.5	0	0	0	113.1	I570 L572 I581 F592 Q593 N594 V595	F544-I570 CarbonylContact C-O 3.42Å; F544-I570 VanDerWaalsContact CA-O 3.24Å; F544-I570 WeakPolarHBondContact CA-O 3.49Å; F544-I570 HydrophobicContact CB-CB 3.98Å; F544-L572 HydrophobicContact CD2-CD1 3.36Å; F544-L572 HydrophobicContact CD2-CG 4.11Å; F544-L572 HydrophobicContact CE2-CD1 3.74Å; F544-L572 HydrophobicContact CG-CD1 4.23Å; F544-I581 HydrophobicContact CD1-CG2 4.11Å; F544-I581 HydrophobicContact CE1-CG2 3.58Å; F544-I581 HydrophobicContact CE2-CG2 4.13Å; F544-I581 HydrophobicContact CZ-CB 4.38Å; F544-I581 HydrophobicContact CZ-CG2 3.55Å; F544-F592 HydrophobicContact CD1-CB 4.1Å; F544-F592 HydrophobicContact CD1-CD1 4.45Å; F544-F592 HydrophobicContact CE1-CB 3.78Å; F544-Q593 WeakPolarHBondContact CD1-O 3.41Å; F544-Q593 PolarHBondContact N-O 3.25Å; F544-Q593 VanDerWaalsContact N-O 3.09Å; F544-N594 HydrophobicContact CD1-CB 4.49Å; F544-N594 HydrophobicContact CD2-CB 4.44Å; F544-N594 HydrophobicContact CE1-CB 3.82Å; F544-N594 VanDerWaalsContact CE1-N 3.26Å; F544-N594 HydrophobicContact CE2-CB 3.8Å; F544-N594 HydrophobicContact CZ-CB 3.47Å; F544-N594 VanDerWaalsContact CZ-CB 3.47Å; F544-N594 WeakPolarHBondContact O-CA 3.3Å; F544-V595 WeakPolarHBondContact O-CG2 3.25Å; F544-V595 PolarHBondContact O-N 2.61Å
545	M	94.9	Very high	91.2	Very high	11 Å²	11	55.1 Å²	55.1	5%	0.054	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.9	174.1	-178.9	54.5	-167.4	0	0	109.4	A553 F558 V559 V569 I570 Y571 L572 V595 A596	M545-A553 HydrophobicContact CG-CB 4Å; M545-F558 HydrophobicContact CE-CD2 3.8Å; M545-F558 HydrophobicContact CE-CE2 4.24Å; M545-F558 HydrophobicContact SD-CD2 3.87Å; M545-V559 HydrophobicContact CB-CG1 4.06Å; M545-V559 HydrophobicContact CG-CG1 4.36Å; M545-V569 HydrophobicContact CB-CG1 4.25Å; M545-I570 PolarHBondContact N-O 2.85Å; M545-Y571 HydrophobicContact CB-CD1 4.35Å; M545-L572 PolarHBondContact O-N 3.38Å; M545-V595 HydrophobicContact CB-CG2 3.65Å; M545-V595 HydrophobicContact CG-CG2 4.08Å; M545-V595 HydrophobicContact SD-CG2 3.66Å; M545-A596 HydrophobicContact SD-CB 4.2Å
546	A	94	Very high	91.3	Very high	7 Å²	7	54.2 Å²	54.2	6%	0.058	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.8	178	0	0	0	0	0	111.1	L572 E578 N661	A546-L572 WeakPolarHBondContact CA-O 3.39Å; A546-L572 HydrophobicContact CB-CB 3.94Å; A546-L572 HydrophobicContact CB-CD1 4.35Å; A546-E578 HydrophobicContact CB-CB 4.48Å; A546-E578 HydrophobicContact CB-CG 4.46Å; A546-N661 HydrophobicContact CB-CB 4.29Å
547	G	90.6	Very high	91.3	Very high	3 Å²	3	50.4 Å²	50.4	3%	0.031	25%	0.251	C	S	.	.			trans	-156.4	-177.5	179.7	0	0	0	0	0	112.4	S549 L572	G547-S549 VanDerWaalsContact C-N 3.3Å; G547-S549 PolarHBondContact O-N 2.82Å; G547-L572 PolarHBondContact N-O 3.34Å; G547-L572 VanDerWaalsContact N-O 3.11Å
548	T	89.2	Confident	91.8	Very high	78 Å²	78	40.9 Å²	40.9	48%	0.479	21%	0.206	S	C	.	.	S	Bend	trans	-72.3	-23.1	178.5	64.6	0	0	0	0	113.4	E552	T548-E552 VanDerWaalsContact CB-OE2 3.29Å; T548-E552 WeakPolarHBondContact CB-OE2 3.32Å; T548-E552 WeakPolarHBondContact CG2-OE2 3.47Å; T548-E552 PolarHBondContact N-OE2 2.95Å; T548-E552 PolarHBondContact OG1-OE2 2.82Å
549	S	92.2	Very high	92.2	Very high	47 Å²	47	34.1 Å²	34.1	33%	0.329	18%	0.177	S	C	.	.	S	Bend	trans	-156.8	160.4	-176.7	65.7	0	0	0	0	111.4	G547 K551 E552 A553	G547-S549 VanDerWaalsContact C-N 3.3Å; G547-S549 PolarHBondContact O-N 2.82Å; S549-K551 VanDerWaalsContact C-N 3.26Å; S549-K551 PolarHBondContact O-N 3.36Å; S549-E552 PolarHBondContact O-N 2.97Å; S549-E552 PolarHBondContact OG-N 3.19Å; S549-A553 PolarHBondContact O-N 2.79Å; S549-A553 VanDerWaalsContact O-N 3.11Å
550	R	91.4	Very high	92.3	Very high	36 Å²	36	35.1 Å²	35.1	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-53.1	-45.7	173.2	-170.2	-162.3	170.4	102.6	6.2	111.5	Q517 S521 D522 E552 A553 E554 T573	Q517-R550 VanDerWaalsContact OE1-CD 3.24Å; Q517-R550 VanDerWaalsContact OE1-CG 3.22Å; S521-R550 PolarHBondContact O-NH1 3.41Å; S521-R550 PolarHBondContact O-NH2 3.2Å; D522-R550 PolarHBondContact O-NH1 3.22Å; D522-R550 IonicContact OD1-NH2 2.77Å; D522-R550 PolarHBondContact OD1-NH2 3.24Å; R550-E552 VanDerWaalsContact C-N 3.32Å; R550-E552 PolarHBondContact O-N 2.91Å; R550-A553 PolarHBondContact O-N 3.5Å; R550-A553 VanDerWaalsContact O-N 3.12Å; R550-E554 WeakPolarHBondContact CD-OE2 3.49Å; R550-E554 WeakPolarHBondContact CG-OE2 3.26Å; R550-E554 IonicContact CZ-OE2 2.71Å; R550-E554 IonicContact NE-OE2 3.44Å; R550-E554 PolarHBondContact NE-OE2 2.98Å; R550-E554 IonicContact NH2-OE2 3.36Å; R550-E554 WeakPolarHBondContact O-CB 3.32Å; R550-E554 WeakPolarHBondContact O-CG 3.17Å; R550-E554 PolarHBondContact O-N 2.9Å; R550-T573 HydrophobicContact CB-CG2 4.42Å
551	K	91.9	Very high	92.4	Very high	161 Å²	161	33.6 Å²	33.6	70%	0.7	17%	0.17	S	C	*	.	H	α-helix	trans	-61.5	-36	-177.9	-68.4	-175.1	176.8	-179.3	0	113.4	S549 E554 S555	S549-K551 VanDerWaalsContact C-N 3.26Å; S549-K551 PolarHBondContact O-N 3.36Å; K551-E554 WeakPolarHBondContact CA-OE1 3.29Å; K551-S555 VanDerWaalsContact O-CB 3.28Å; K551-S555 WeakPolarHBondContact O-CB 3.43Å; K551-S555 PolarHBondContact O-N 2.61Å; K551-S555 PolarHBondContact O-OG 3.45Å
552	E	90.9	Very high	92.3	Very high	63 Å²	63	31.2 Å²	31.2	29%	0.294	16%	0.159	S	C	.	.	H	α-helix	trans	-70.1	-45.5	173.1	-173.1	-173.5	-169.2	0	0	111.2	T548 S549 R550 S556	T548-E552 VanDerWaalsContact CB-OE2 3.29Å; T548-E552 WeakPolarHBondContact CB-OE2 3.32Å; T548-E552 WeakPolarHBondContact CG2-OE2 3.47Å; T548-E552 PolarHBondContact N-OE2 2.95Å; T548-E552 PolarHBondContact OG1-OE2 2.82Å; S549-E552 PolarHBondContact O-N 2.97Å; S549-E552 PolarHBondContact OG-N 3.19Å; R550-E552 VanDerWaalsContact C-N 3.32Å; R550-E552 PolarHBondContact O-N 2.91Å; E552-S556 PolarHBondContact O-N 2.88Å; E552-S556 VanDerWaalsContact O-N 3.16Å
553	A	91.6	Very high	92.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.4	-37.7	-177.1	0	0	0	0	0	113.2	M545 S549 R550 S556 Y571	M545-A553 HydrophobicContact CG-CB 4Å; S549-A553 PolarHBondContact O-N 2.79Å; S549-A553 VanDerWaalsContact O-N 3.11Å; R550-A553 PolarHBondContact O-N 3.5Å; R550-A553 VanDerWaalsContact O-N 3.12Å; A553-S556 VanDerWaalsContact O-CB 3.29Å; A553-S556 WeakPolarHBondContact O-CB 3.47Å; A553-Y571 HydrophobicContact CB-CD1 3.71Å; A553-Y571 HydrophobicContact CB-CE1 4.4Å; A553-Y571 HydrophobicContact CB-CG 4.28Å
554	E	91.6	Very high	91.9	Very high	70 Å²	70	41 Å²	41	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-78.7	-32.2	179.6	77.4	-162.7	173.4	0	0	113	R550 K551 S556 V559 Y571	R550-E554 WeakPolarHBondContact CD-OE2 3.49Å; R550-E554 WeakPolarHBondContact CG-OE2 3.26Å; R550-E554 IonicContact CZ-OE2 2.71Å; R550-E554 IonicContact NE-OE2 3.44Å; R550-E554 PolarHBondContact NE-OE2 2.98Å; R550-E554 IonicContact NH2-OE2 3.36Å; R550-E554 WeakPolarHBondContact O-CB 3.32Å; R550-E554 WeakPolarHBondContact O-CG 3.17Å; R550-E554 PolarHBondContact O-N 2.9Å; K551-E554 WeakPolarHBondContact CA-OE1 3.29Å; E554-S556 VanDerWaalsContact C-N 3.29Å; E554-V559 WeakPolarHBondContact O-CG2 3.43Å; E554-Y571 HydrophobicContact CB-CE1 4.15Å; E554-Y571 HydrophobicContact CB-CE2 4.03Å
555	S	91.1	Very high	91.5	Very high	62 Å²	62	43.4 Å²	43.4	43%	0.434	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	8.8	174.6	73.2	0	0	0	0	113.9	K551 R728	K551-S555 VanDerWaalsContact O-CB 3.28Å; K551-S555 WeakPolarHBondContact O-CB 3.43Å; K551-S555 PolarHBondContact O-N 2.61Å; K551-S555 PolarHBondContact O-OG 3.45Å; S555-R728 PolarHBondContact O-NH2 3.48Å
556	S	93.1	Very high	91.2	Very high	5 Å²	5	45.3 Å²	45.3	4%	0.035	24%	0.237	C	C	.	.			trans	-66.9	140.4	-177.8	-179.8	0	0	0	0	112.5	E552 A553 E554 F558 V559	E552-S556 PolarHBondContact O-N 2.88Å; E552-S556 VanDerWaalsContact O-N 3.16Å; A553-S556 VanDerWaalsContact O-CB 3.29Å; A553-S556 WeakPolarHBondContact O-CB 3.47Å; E554-S556 VanDerWaalsContact C-N 3.29Å; S556-F558 PolarHBondContact O-N 3.29Å; S556-F558 VanDerWaalsContact O-N 3.1Å; S556-F558 WeakPolarHBondContact OG-CD2 3.22Å; S556-F558 PolarHBondContact OG-N 2.67Å; S556-V559 WeakPolarHBondContact O-CG2 3.49Å; S556-V559 PolarHBondContact O-N 3.43Å
557	P	91.6	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25	173.1	25.5	-35.8	0	0	0	113.1	L644 A650 R728	P557-L644 HydrophobicContact CB-CD2 3.67Å; P557-L644 WeakPolarHBondContact O-CD2 3.33Å; P557-A650 HydrophobicContact CB-CB 4.12Å; P557-A650 HydrophobicContact CG-CB 4Å; P557-R728 WeakPolarHBondContact CD-O 3.47Å; P557-R728 WeakPolarHBondContact CG-O 3.46Å
558	F	93	Very high	91.4	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-27.8	-174.5	-56.9	-51.2	0	0	0	114.5	M545 S556 L562 V595 A596 A650 L651 V652	M545-F558 HydrophobicContact CE-CD2 3.8Å; M545-F558 HydrophobicContact CE-CE2 4.24Å; M545-F558 HydrophobicContact SD-CD2 3.87Å; S556-F558 PolarHBondContact O-N 3.29Å; S556-F558 VanDerWaalsContact O-N 3.1Å; S556-F558 WeakPolarHBondContact OG-CD2 3.22Å; S556-F558 PolarHBondContact OG-N 2.67Å; F558-L562 WeakPolarHBondContact O-CD1 3.45Å; F558-V595 HydrophobicContact CB-CB 4.14Å; F558-V595 HydrophobicContact CB-CG2 3.68Å; F558-V595 WeakPolarHBondContact CB-O 3.42Å; F558-A596 HydrophobicContact CD2-CB 3.62Å; F558-A596 HydrophobicContact CE2-CB 3.54Å; F558-A596 HydrophobicContact CG-CB 4.26Å; F558-A596 HydrophobicContact CZ-CB 4.09Å; F558-A650 HydrophobicContact CD1-CB 4.24Å; F558-A650 HydrophobicContact CE1-CB 3.59Å; F558-A650 HydrophobicContact CZ-CB 4.24Å; F558-L651 VanDerWaalsContact CZ-O 3.29Å; F558-L651 WeakPolarHBondContact CZ-O 3.37Å; F558-V652 HydrophobicContact CD1-CG2 4.46Å; F558-V652 HydrophobicContact CE1-CG2 3.88Å
559	V	92.6	Very high	91.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-18.9	-175.8	-62.1	0	0	0	0	113.3	M545 E554 S556 R561 L562 L563 V569 Y571 V595	M545-V559 HydrophobicContact CB-CG1 4.06Å; M545-V559 HydrophobicContact CG-CG1 4.36Å; E554-V559 WeakPolarHBondContact O-CG2 3.43Å; S556-V559 WeakPolarHBondContact O-CG2 3.49Å; S556-V559 PolarHBondContact O-N 3.43Å; V559-R561 PolarHBondContact O-N 2.95Å; V559-L562 WeakPolarHBondContact O-CB 3.41Å; V559-L562 PolarHBondContact O-N 3.42Å; V559-L563 HydrophobicContact CB-CD1 4.05Å; V559-L563 HydrophobicContact CB-CG 4.16Å; V559-L563 HydrophobicContact CG2-CD1 3.75Å; V559-L563 HydrophobicContact CG2-CG 4.41Å; V559-L563 WeakPolarHBondContact O-CG 3.38Å; V559-L563 PolarHBondContact O-N 2.98Å; V559-V569 HydrophobicContact CG1-CB 4.49Å; V559-V569 HydrophobicContact CG1-CG1 3.92Å; V559-V569 HydrophobicContact CG1-CG2 4.35Å; V559-Y571 HydrophobicContact CG1-CE1 4.4Å; V559-V595 HydrophobicContact CG1-CG2 3.98Å
560	E	90.9	Very high	91.9	Very high	30 Å²	30	41.7 Å²	41.7	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-47.4	-55.7	-169.7	-63.7	-177.6	-172.1	0	0	114.5	K564 T645 N646 S647	E560-K564 VanDerWaalsContact O-CB 3.23Å; E560-K564 WeakPolarHBondContact O-CB 3.44Å; E560-K564 PolarHBondContact O-N 2.95Å; E560-T645 HydrophobicContact CB-CG2 4.14Å; E560-T645 VanDerWaalsContact OE2-CA 3.28Å; E560-T645 WeakPolarHBondContact OE2-CA 3.45Å; E560-T645 WeakPolarHBondContact OE2-CB 3.44Å; E560-T645 PolarHBondContact OE2-N 2.87Å; E560-T645 PolarHBondContact OE2-OG1 3.13Å; E560-N646 PolarHBondContact OE2-N 2.86Å; E560-S647 WeakPolarHBondContact OE1-CB 3.25Å; E560-S647 PolarHBondContact OE1-N 2.83Å; E560-S647 VanDerWaalsContact OE1-N 3.11Å; E560-S647 PolarHBondContact OE1-OG 3.12Å; E560-S647 PolarHBondContact OE2-N 3.19Å
561	R	90	Very high	92.1	Very high	55 Å²	55	40.4 Å²	40.4	21%	0.208	20%	0.202	C	C	.	.	H	α-helix	trans	-77.1	-20.6	-178.2	-157.6	-172.5	-173.6	-156	-3.1	113.2	V559 K565 F602 E604 Q642 R643 T645	V559-R561 PolarHBondContact O-N 2.95Å; R561-K565 VanDerWaalsContact O-CB 3.32Å; R561-K565 WeakPolarHBondContact O-CB 3.36Å; R561-K565 WeakPolarHBondContact O-CG 3.25Å; R561-K565 PolarHBondContact O-N 2.8Å; R561-F602 HydrophobicContact CB-CZ 4.44Å; R561-E604 IonicContact CZ-OE1 3.2Å; R561-E604 IonicContact NH1-OE1 2.84Å; R561-E604 PolarHBondContact NH1-OE1 3.37Å; R561-E604 IonicContact NH2-OE1 2.67Å; R561-E604 PolarHBondContact NH2-OE1 2.8Å; R561-Q642 WeakPolarHBondContact CD-O 3.43Å; R561-Q642 PolarHBondContact NH1-O 3.17Å; R561-R643 WeakPolarHBondContact CB-O 3.08Å; R561-R643 PolarHBondContact N-O 3.08Å; R561-T645 HydrophobicContact CB-CG2 3.59Å; R561-T645 HydrophobicContact CG-CG2 3.88Å
562	L	90.8	Very high	92.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-53.5	172.3	-76.1	83.5	0	0	0	109.2	Y543 F558 V559 K564 K565 G566 Y567 V569 V595 V600 F602	Y543-L562 HydrophobicContact CD1-CD2 3.71Å; Y543-L562 HydrophobicContact CD2-CD2 3.97Å; Y543-L562 HydrophobicContact CE1-CD2 4.26Å; Y543-L562 HydrophobicContact CE2-CD2 4.48Å; Y543-L562 HydrophobicContact CG-CD2 3.54Å; F558-L562 WeakPolarHBondContact O-CD1 3.45Å; V559-L562 WeakPolarHBondContact O-CB 3.41Å; V559-L562 PolarHBondContact O-N 3.42Å; L562-K564 VanDerWaalsContact C-N 3.34Å; L562-K564 PolarHBondContact O-N 3.21Å; L562-K565 CarbonylContact O-C 3.22Å; L562-K565 PolarHBondContact O-N 2.95Å; L562-K565 VanDerWaalsContact O-N 3.1Å; L562-G566 PolarHBondContact O-N 3.48Å; L562-Y567 PolarHBondContact O-N 3.23Å; L562-V569 HydrophobicContact CB-CG2 4.02Å; L562-V569 HydrophobicContact CD2-CG2 3.93Å; L562-V595 HydrophobicContact CD2-CG1 3.7Å; L562-V600 HydrophobicContact CD1-CG1 4.47Å; L562-F602 HydrophobicContact CD1-CE1 4.17Å; L562-F602 HydrophobicContact CD1-CZ 3.81Å; L562-F602 HydrophobicContact CG-CE1 4.02Å; L562-F602 HydrophobicContact CG-CZ 4.18Å
563	L	91.8	Very high	92.3	Very high	62 Å²	62	31.6 Å²	31.6	33%	0.325	17%	0.166	S	C	.	.	H	α-helix	trans	-59.7	-43.1	176.3	-59.7	179.7	0	0	0	111.4	S519 V559 K565 G566 V569	S519-L563 WeakPolarHBondContact OG-CD2 3.19Å; V559-L563 HydrophobicContact CB-CD1 4.05Å; V559-L563 HydrophobicContact CB-CG 4.16Å; V559-L563 HydrophobicContact CG2-CD1 3.75Å; V559-L563 HydrophobicContact CG2-CG 4.41Å; V559-L563 WeakPolarHBondContact O-CG 3.38Å; V559-L563 PolarHBondContact O-N 2.98Å; L563-K565 VanDerWaalsContact C-N 3.3Å; L563-K565 PolarHBondContact O-N 3.47Å; L563-G566 VanDerWaalsContact O-CA 3.31Å; L563-G566 WeakPolarHBondContact O-CA 3.49Å; L563-G566 PolarHBondContact O-N 3.15Å; L563-V569 HydrophobicContact CD2-CG2 4.2Å
564	K	90.3	Very high	92.4	Very high	154 Å²	154	34.6 Å²	34.6	67%	0.67	18%	0.18	S	C	*	.	H	α-helix	trans	-68.9	-21.9	176.6	-167.1	166.5	-169.6	160	0	114.4	E560 L562 G566 T645	E560-K564 VanDerWaalsContact O-CB 3.23Å; E560-K564 WeakPolarHBondContact O-CB 3.44Å; E560-K564 PolarHBondContact O-N 2.95Å; L562-K564 VanDerWaalsContact C-N 3.34Å; L562-K564 PolarHBondContact O-N 3.21Å; K564-G566 VanDerWaalsContact C-N 3.33Å; K564-T645 HydrophobicContact CD-CG2 4.15Å
565	K	88.1	Confident	92.3	Very high	65 Å²	65	34.6 Å²	34.6	28%	0.283	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	1.6	166.1	-77.2	-172	176	-173.1	0	112.1	K536 R561 L562 L563 Y567 F602 E603 E604	K536-K565 PolarHBondContact NZ-O 2.97Å; R561-K565 VanDerWaalsContact O-CB 3.32Å; R561-K565 WeakPolarHBondContact O-CB 3.36Å; R561-K565 WeakPolarHBondContact O-CG 3.25Å; R561-K565 PolarHBondContact O-N 2.8Å; L562-K565 CarbonylContact O-C 3.22Å; L562-K565 PolarHBondContact O-N 2.95Å; L562-K565 VanDerWaalsContact O-N 3.1Å; L563-K565 VanDerWaalsContact C-N 3.3Å; L563-K565 PolarHBondContact O-N 3.47Å; K565-Y567 HydrophobicContact CB-CD2 3.66Å; K565-Y567 HydrophobicContact CB-CE2 3.73Å; K565-Y567 HydrophobicContact CD-CE2 4.08Å; K565-F602 HydrophobicContact CD-CD1 3.7Å; K565-F602 HydrophobicContact CD-CE1 4.13Å; K565-F602 HydrophobicContact CD-CG 4.35Å; K565-E603 PolarHBondContact NZ-O 3.31Å; K565-E604 IonicContact NZ-OE1 2.69Å
566	G	89.6	Confident	92.4	Very high	51 Å²	51	32.8 Å²	32.8	53%	0.526	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	34.5	-178.9	0	0	0	0	0	114	K536 L562 L563 K564	K536-G566 WeakPolarHBondContact CE-O 3.49Å; K536-G566 PolarHBondContact NZ-O 3.19Å; L562-G566 PolarHBondContact O-N 3.48Å; L563-G566 VanDerWaalsContact O-CA 3.31Å; L563-G566 WeakPolarHBondContact O-CA 3.49Å; L563-G566 PolarHBondContact O-N 3.15Å; K564-G566 VanDerWaalsContact C-N 3.33Å
567	Y	92.4	Very high	92.4	Very high	35 Å²	35	32.7 Å²	32.7	14%	0.137	17%	0.172	C	C	.	.			trans	-88.6	136.1	169.3	-71.3	-86.1	0	0	0	109.5	K536 Q539 Y543 L562 K565 F602	K536-Y567 HydrophobicContact CD-CD1 4.13Å; K536-Y567 HydrophobicContact CD-CE1 3.91Å; Q539-Y567 HydrophobicContact CG-CD1 4.33Å; Q539-Y567 HydrophobicContact CG-CE1 4.22Å; Y543-Y567 HydrophobicContact CD2-CD1 4.39Å; Y543-Y567 AromaticContact CE2-CD1 3.8Å; Y543-Y567 HydrophobicContact CE2-CD1 3.8Å; Y543-Y567 HydrophobicContact CE2-CE1 4.21Å; Y543-Y567 HydrophobicContact CE2-CG 4.24Å; L562-Y567 PolarHBondContact O-N 3.23Å; K565-Y567 HydrophobicContact CB-CD2 3.66Å; K565-Y567 HydrophobicContact CB-CE2 3.73Å; K565-Y567 HydrophobicContact CD-CE2 4.08Å; Y567-F602 HydrophobicContact CE2-CD1 4.19Å
568	E	94.8	Very high	92.4	Very high	20 Å²	20	33.1 Å²	33.1	9%	0.093	17%	0.173	C	C	.	.			trans	-72	136.9	172.8	-168.5	174.9	166.7	0	0	110.7	T518 S519 N520 Y531 R534	T518-E568 WeakPolarHBondContact CB-OE1 3.3Å; T518-E568 WeakPolarHBondContact CG2-OE1 3.45Å; T518-E568 PolarHBondContact OG1-OE1 2.74Å; S519-E568 WeakPolarHBondContact OG-CA 3.32Å; N520-E568 HydrophobicContact CB-CG 4.07Å; Y531-E568 HydrophobicContact CD2-CB 4.25Å; Y531-E568 HydrophobicContact CD2-CG 3.89Å; Y531-E568 HydrophobicContact CE2-CB 3.71Å; Y531-E568 HydrophobicContact CE2-CG 3.7Å; Y531-E568 WeakPolarHBondContact CE2-O 3.44Å; Y531-E568 PolarHBondContact OH-O 2.64Å; R534-E568 IonicContact CZ-OE1 2.63Å; R534-E568 IonicContact CZ-OE2 3.5Å; R534-E568 IonicContact NE-OE1 2.64Å; R534-E568 IonicContact NE-OE2 2.71Å; R534-E568 PolarHBondContact NE-OE2 2.9Å; R534-E568 IonicContact NH2-OE1 3.51Å; R534-E568 PolarHBondContact NH2-OE1 3.19Å; R534-E568 IonicContact NH2-OE2 3.34Å; R534-E568 PolarHBondContact NH2-OE2 2.87Å
569	V	95.4	Very high	92.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.5	175.7	-176.5	0	0	0	0	109.3	T518 S519 Y543 M545 V559 L562 L563 Y571	T518-V569 CarbonylContact C-O 3.59Å; T518-V569 VanDerWaalsContact CA-O 3.26Å; T518-V569 WeakPolarHBondContact CA-O 2.98Å; T518-V569 WeakPolarHBondContact CB-O 3.41Å; S519-V569 PolarHBondContact N-O 3.45Å; S519-V569 PolarHBondContact OG-N 3.49Å; Y543-V569 WeakPolarHBondContact O-CA 3.37Å; M545-V569 HydrophobicContact CB-CG1 4.25Å; V559-V569 HydrophobicContact CG1-CB 4.49Å; V559-V569 HydrophobicContact CG1-CG1 3.92Å; V559-V569 HydrophobicContact CG1-CG2 4.35Å; L562-V569 HydrophobicContact CB-CG2 4.02Å; L562-V569 HydrophobicContact CD2-CG2 3.93Å; L563-V569 HydrophobicContact CD2-CG2 4.2Å; V569-Y571 HydrophobicContact CG1-CE1 4.28Å
570	I	96.6	Very high	92.3	Very high	5 Å²	5	36 Å²	36	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	132.9	171.8	-57	-176.4	0	0	0	109.4	F516 T518 L528 Y531 I542 Y543 F544 M545 L572	F516-I570 HydrophobicContact CB-CG2 3.43Å; F516-I570 VanDerWaalsContact CB-CG2 3.43Å; F516-I570 HydrophobicContact CD2-CG2 4.11Å; F516-I570 HydrophobicContact CG-CG2 3.8Å; T518-I570 HydrophobicContact CG2-CG1 4.21Å; L528-I570 HydrophobicContact CD2-CD1 3.68Å; Y531-I570 HydrophobicContact CD2-CD1 3.96Å; Y531-I570 HydrophobicContact CD2-CG1 3.67Å; Y531-I570 HydrophobicContact CE2-CD1 4.28Å; Y531-I570 HydrophobicContact CE2-CG1 3.75Å; Y531-I570 HydrophobicContact CG-CD1 4.26Å; Y531-I570 HydrophobicContact CG-CG1 4.46Å; I542-I570 HydrophobicContact CG2-CD1 3.51Å; I542-I570 HydrophobicContact CG2-CG1 4.32Å; Y543-I570 PolarHBondContact O-N 3.41Å; F544-I570 CarbonylContact C-O 3.42Å; F544-I570 VanDerWaalsContact CA-O 3.24Å; F544-I570 WeakPolarHBondContact CA-O 3.49Å; F544-I570 HydrophobicContact CB-CB 3.98Å; M545-I570 PolarHBondContact N-O 2.85Å; I570-L572 HydrophobicContact CG2-CD2 3.85Å
571	Y	95.6	Very high	92.5	Very high	8 Å²	8	35 Å²	35	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.7	174.1	-57.9	-53.1	0	0	0	110.3	Q517 S519 M545 A553 E554 V559 V569	Q517-Y571 PolarHBondContact O-N 3.43Å; S519-Y571 WeakPolarHBondContact CB-OH 3.16Å; M545-Y571 HydrophobicContact CB-CD1 4.35Å; A553-Y571 HydrophobicContact CB-CD1 3.71Å; A553-Y571 HydrophobicContact CB-CE1 4.4Å; A553-Y571 HydrophobicContact CB-CG 4.28Å; E554-Y571 HydrophobicContact CB-CE1 4.15Å; E554-Y571 HydrophobicContact CB-CE2 4.03Å; V559-Y571 HydrophobicContact CG1-CE1 4.4Å; V569-Y571 HydrophobicContact CG1-CE1 4.28Å
572	L	95.4	Very high	92.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.8	174.9	-53.8	-174.5	0	0	0	108.4	F516 F544 M545 A546 G547 I570 D577 I581	F516-L572 HydrophobicContact CD1-CD2 3.51Å; F516-L572 HydrophobicContact CE1-CD2 3.62Å; F516-L572 HydrophobicContact CG-CD2 4.1Å; F516-L572 HydrophobicContact CZ-CD2 4.28Å; F544-L572 HydrophobicContact CD2-CD1 3.36Å; F544-L572 HydrophobicContact CD2-CG 4.11Å; F544-L572 HydrophobicContact CE2-CD1 3.74Å; F544-L572 HydrophobicContact CG-CD1 4.23Å; M545-L572 PolarHBondContact O-N 3.38Å; A546-L572 WeakPolarHBondContact CA-O 3.39Å; A546-L572 HydrophobicContact CB-CB 3.94Å; A546-L572 HydrophobicContact CB-CD1 4.35Å; G547-L572 PolarHBondContact N-O 3.34Å; G547-L572 VanDerWaalsContact N-O 3.11Å; I570-L572 HydrophobicContact CG2-CD2 3.85Å; L572-D577 WeakPolarHBondContact CA-OD2 3.18Å; L572-D577 HydrophobicContact CB-CB 3.65Å; L572-D577 HydrophobicContact CD1-CB 4.04Å; L572-D577 HydrophobicContact CD2-CB 4.06Å; L572-D577 HydrophobicContact CG-CB 4.11Å; L572-I581 HydrophobicContact CD1-CB 4.46Å; L572-I581 HydrophobicContact CD1-CG1 3.83Å; L572-I581 HydrophobicContact CD2-CG1 4.44Å
573	T	92.9	Very high	92.5	Very high	38 Å²	38	39.8 Å²	39.8	23%	0.233	21%	0.208	C	C	.	.			trans	-131.9	-12.9	-169.1	56	0	0	0	0	113.8	R550 D577	R550-T573 HydrophobicContact CB-CG2 4.42Å; T573-D577 PolarHBondContact N-OD2 3.49Å
574	E	92.5	Very high	92.5	Very high	63 Å²	63	37.2 Å²	37.2	29%	0.294	20%	0.195	S	C	.	.	S	Bend	trans	-101.8	146.3	175	-68.4	162.9	-126.5	0	0	110.8	K497 V576 D577	K497-E574 IonicContact NZ-OE1 2.66Å; K497-E574 PolarHBondContact NZ-OE1 3.43Å; K497-E574 IonicContact NZ-OE2 3.06Å; K497-E574 PolarHBondContact NZ-OE2 2.75Å; E574-V576 HydrophobicContact CB-CG1 4.2Å; E574-V576 PolarHBondContact O-N 2.93Å; E574-V576 VanDerWaalsContact O-N 3.14Å; E574-D577 PolarHBondContact N-OD2 2.95Å; E574-D577 VanDerWaalsContact O-CB 3.31Å; E574-D577 WeakPolarHBondContact O-CB 3.38Å; E574-D577 PolarHBondContact O-N 3.19Å
575	P	90.3	Very high	92.4	Very high	70 Å²	70	34.4 Å²	34.4	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-55.8	-33.5	178.7	-27.9	36	0	0	0	114.5	D577 Y579 I665	P575-D577 VanDerWaalsContact C-N 3.31Å; P575-D577 PolarHBondContact O-N 2.77Å; P575-Y579 WeakPolarHBondContact O-CD2 3.36Å; P575-I665 HydrophobicContact CB-CD1 3.96Å; P575-I665 HydrophobicContact CB-CG1 4.13Å; P575-I665 HydrophobicContact CB-CG2 4.24Å
576	V	92.2	Very high	92.6	Very high	24 Å²	24	35.3 Å²	35.3	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-72.5	-20.9	180	67.5	0	0	0	0	113.2	T494 K497 L498 I501 E574 E578 Y579 C580	T494-V576 HydrophobicContact CG2-CG1 4.43Å; K497-V576 HydrophobicContact CB-CG1 4.21Å; K497-V576 HydrophobicContact CB-CG2 4.09Å; K497-V576 HydrophobicContact CD-CG1 3.67Å; L498-V576 HydrophobicContact CD2-CG2 4.08Å; L498-V576 HydrophobicContact CG-CG2 4.38Å; I501-V576 HydrophobicContact CD1-CG2 3.96Å; E574-V576 HydrophobicContact CB-CG1 4.2Å; E574-V576 PolarHBondContact O-N 2.93Å; E574-V576 VanDerWaalsContact O-N 3.14Å; V576-E578 PolarHBondContact O-N 2.95Å; V576-Y579 PolarHBondContact O-N 2.83Å; V576-C580 WeakPolarHBondContact O-CB 3.2Å; V576-C580 PolarHBondContact O-N 3.06Å
577	D	93.9	Very high	92.8	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-60.4	-44.2	-175.6	-73.3	-28.4	0	0	0	112.3	K497 L572 T573 E574 P575 Y579 C580 I581	K497-D577 WeakPolarHBondContact CD-OD1 3.46Å; K497-D577 WeakPolarHBondContact CE-OD1 3.31Å; K497-D577 IonicContact NZ-OD1 3.95Å; K497-D577 PolarHBondContact NZ-OD1 2.79Å; L572-D577 WeakPolarHBondContact CA-OD2 3.18Å; L572-D577 HydrophobicContact CB-CB 3.65Å; L572-D577 HydrophobicContact CD1-CB 4.04Å; L572-D577 HydrophobicContact CD2-CB 4.06Å; L572-D577 HydrophobicContact CG-CB 4.11Å; T573-D577 PolarHBondContact N-OD2 3.49Å; E574-D577 PolarHBondContact N-OD2 2.95Å; E574-D577 VanDerWaalsContact O-CB 3.31Å; E574-D577 WeakPolarHBondContact O-CB 3.38Å; E574-D577 PolarHBondContact O-N 3.19Å; P575-D577 VanDerWaalsContact C-N 3.31Å; P575-D577 PolarHBondContact O-N 2.77Å; D577-Y579 PolarHBondContact O-N 2.89Å; D577-C580 WeakPolarHBondContact O-CB 3.38Å; D577-C580 PolarHBondContact O-N 2.75Å; D577-I581 WeakPolarHBondContact O-CG1 3.29Å; D577-I581 PolarHBondContact O-N 2.98Å
578	E	90.6	Very high	92.8	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-30.9	-175	-161.8	167.4	-175.8	0	0	111.6	A546 V576 Q582 N594 S659 N661 M662	A546-E578 HydrophobicContact CB-CB 4.48Å; A546-E578 HydrophobicContact CB-CG 4.46Å; V576-E578 PolarHBondContact O-N 2.95Å; E578-Q582 WeakPolarHBondContact O-CB 3.17Å; E578-Q582 PolarHBondContact O-N 3.1Å; E578-N594 PolarHBondContact OE1-ND2 3.12Å; E578-S659 VanDerWaalsContact CD-OG 3.22Å; E578-S659 WeakPolarHBondContact OE1-CB 3.34Å; E578-S659 PolarHBondContact OE1-OG 3.15Å; E578-S659 PolarHBondContact OE2-OG 3.34Å; E578-S659 VanDerWaalsContact OE2-OG 3.08Å; E578-N661 PolarHBondContact OE2-ND2 2.91Å; E578-M662 HydrophobicContact CB-CE 3.85Å; E578-M662 HydrophobicContact CG-CE 3.77Å
579	Y	90.8	Very high	92.5	Very high	64 Å²	64	37.3 Å²	37.3	25%	0.251	21%	0.213	S	C	.	.	H	α-helix	trans	-68.1	-41	167.7	-64.3	-91.4	0	0	0	112	P575 V576 D577 Q582 A583 M662 I665 M666	P575-Y579 WeakPolarHBondContact O-CD2 3.36Å; V576-Y579 PolarHBondContact O-N 2.83Å; D577-Y579 PolarHBondContact O-N 2.89Å; Y579-Q582 PolarHBondContact O-N 3.35Å; Y579-A583 WeakPolarHBondContact O-CB 3.24Å; Y579-A583 PolarHBondContact O-N 2.9Å; Y579-M662 HydrophobicContact CD1-CE 4.38Å; Y579-M662 HydrophobicContact CD2-CE 4.23Å; Y579-M662 HydrophobicContact CE1-CE 4.36Å; Y579-M662 HydrophobicContact CE1-SD 4.2Å; Y579-M662 HydrophobicContact CE2-CE 4.2Å; Y579-M662 HydrophobicContact CE2-SD 4.18Å; Y579-M662 HydrophobicContact CG-CE 4.32Å; Y579-I665 HydrophobicContact CE2-CG2 3.93Å; Y579-M666 HydrophobicContact CE1-CE 3.68Å; Y579-M666 WeakPolarHBondContact OH-CE 3.33Å; Y579-M666 PolarHBondContact OH-SD 3.2Å; Y579-M666 VanDerWaalsContact OH-SD 3.42Å
580	C	94.1	Very high	92.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.6	-45.5	177.7	178.8	0	0	0	0	111.6	K497 V576 D577 A583 L584	K497-C580 HydrophobicContact CB-CB 4.05Å; K497-C580 HydrophobicContact CG-CB 4.4Å; V576-C580 WeakPolarHBondContact O-CB 3.2Å; V576-C580 PolarHBondContact O-N 3.06Å; D577-C580 WeakPolarHBondContact O-CB 3.38Å; D577-C580 PolarHBondContact O-N 2.75Å; C580-A583 PolarHBondContact O-N 3.25Å; C580-L584 PolarHBondContact O-N 3.42Å
581	I	93.4	Very high	92.3	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-71.9	-35	175.5	-61.2	-57.1	0	0	0	111.6	F516 F544 L572 D577 A583 L584 F592	F516-I581 HydrophobicContact CE2-CD1 4.08Å; F516-I581 HydrophobicContact CZ-CD1 3.93Å; F544-I581 HydrophobicContact CD1-CG2 4.11Å; F544-I581 HydrophobicContact CE1-CG2 3.58Å; F544-I581 HydrophobicContact CE2-CG2 4.13Å; F544-I581 HydrophobicContact CZ-CB 4.38Å; F544-I581 HydrophobicContact CZ-CG2 3.55Å; L572-I581 HydrophobicContact CD1-CB 4.46Å; L572-I581 HydrophobicContact CD1-CG1 3.83Å; L572-I581 HydrophobicContact CD2-CG1 4.44Å; D577-I581 WeakPolarHBondContact O-CG1 3.29Å; D577-I581 PolarHBondContact O-N 2.98Å; I581-A583 VanDerWaalsContact C-N 3.27Å; I581-A583 PolarHBondContact O-N 3.03Å; I581-L584 PolarHBondContact O-N 3.2Å; I581-L584 VanDerWaalsContact O-N 3.1Å; I581-L584 VanDerWaalsContact O-O 3.14Å; I581-F592 HydrophobicContact CD1-CD1 4.26Å; I581-F592 HydrophobicContact CD1-CE1 3.99Å; I581-F592 HydrophobicContact CD1-CZ 4.46Å; I581-F592 HydrophobicContact CG2-CB 3.82Å; I581-F592 HydrophobicContact CG2-CD1 3.85Å; I581-F592 HydrophobicContact CG2-CD2 4.48Å; I581-F592 HydrophobicContact CG2-CG 3.79Å
582	Q	89.8	Confident	92.2	Very high	135 Å²	135	47.6 Å²	47.6	63%	0.631	25%	0.253	S	S	*	.	H	α-helix	trans	-63.9	-30.7	173.1	-178.4	171.6	-19.2	0	0	112.9	E578 Y579 L584	E578-Q582 WeakPolarHBondContact O-CB 3.17Å; E578-Q582 PolarHBondContact O-N 3.1Å; Y579-Q582 PolarHBondContact O-N 3.35Å; Q582-L584 VanDerWaalsContact C-N 3.31Å
583	A	91.9	Very high	92.1	Very high	21 Å²	21	48.7 Å²	48.7	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-75.8	-16	174	0	0	0	0	0	113.8	I501 R507 Y579 C580 I581 P585	I501-A583 HydrophobicContact CB-CB 4.48Å; I501-A583 HydrophobicContact CG1-CB 4.14Å; R507-A583 WeakPolarHBondContact CD-O 3.47Å; R507-A583 VanDerWaalsContact CZ-O 3.29Å; R507-A583 PolarHBondContact NE-O 3.1Å; R507-A583 PolarHBondContact NH1-O 3.49Å; Y579-A583 WeakPolarHBondContact O-CB 3.24Å; Y579-A583 PolarHBondContact O-N 2.9Å; C580-A583 PolarHBondContact O-N 3.25Å; I581-A583 VanDerWaalsContact C-N 3.27Å; I581-A583 PolarHBondContact O-N 3.03Å; A583-P585 WeakPolarHBondContact O-CD 3.3Å
584	L	92.9	Very high	92.2	Very high	8 Å²	8	47.3 Å²	47.3	4%	0.042	25%	0.249	C	C	.	.			trans	-108.1	95.4	-174.5	-172.8	64.9	0	0	0	110.8	V500 R507 A511 L514 L528 C580 I581 Q582 E586 F592	V500-L584 HydrophobicContact CG1-CB 4.34Å; R507-L584 HydrophobicContact CG-CD1 3.9Å; A511-L584 HydrophobicContact CB-CD1 3.88Å; A511-L584 HydrophobicContact CB-CD2 3.84Å; L514-L584 HydrophobicContact CD1-CD2 4.26Å; L528-L584 HydrophobicContact CD1-CD2 4.1Å; C580-L584 PolarHBondContact O-N 3.42Å; I581-L584 PolarHBondContact O-N 3.2Å; I581-L584 VanDerWaalsContact O-N 3.1Å; I581-L584 VanDerWaalsContact O-O 3.14Å; Q582-L584 VanDerWaalsContact C-N 3.31Å; L584-E586 PolarHBondContact O-N 2.66Å; L584-F592 HydrophobicContact CB-CE2 4.39Å; L584-F592 HydrophobicContact CD2-CE2 3.62Å; L584-F592 HydrophobicContact CD2-CZ 3.63Å; L584-F592 HydrophobicContact CG-CE2 3.74Å; L584-F592 HydrophobicContact CG-CZ 4.28Å; L584-F592 VanDerWaalsContact O-CD2 3.28Å; L584-F592 WeakPolarHBondContact O-CD2 3.33Å
585	P	87.1	Confident	92.2	Very high	94 Å²	94	44.3 Å²	44.3	61%	0.61	24%	0.235	S	C	*	.			trans	-67.7	-35.3	-170	26.4	-35.2	0	0	0	113.7	A583	A583-P585 WeakPolarHBondContact O-CD 3.3Å
586	E	92.4	Very high	92.3	Very high	84 Å²	84	41.2 Å²	41.2	39%	0.393	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	159.4	177.3	42.7	-170.3	-118.5	0	0	110.6	L584 K590 R591	L584-E586 PolarHBondContact O-N 2.66Å; E586-K590 CarbonylContact C-O 3.5Å; E586-K590 WeakPolarHBondContact CA-O 3.45Å; E586-K590 VanDerWaalsContact CB-O 3.22Å; E586-K590 WeakPolarHBondContact CB-O 3.44Å; E586-R591 HydrophobicContact CB-CG 3.96Å; E586-R591 IonicContact OE2-CZ 2.62Å; E586-R591 IonicContact OE2-NE 3.38Å; E586-R591 PolarHBondContact OE2-NE 2.86Å; E586-R591 IonicContact OE2-NH2 3.45Å; E586-R591 PolarHBondContact OE2-NH2 3.4Å
587	F	94.6	Very high	92.2	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.2	176.8	-177.9	-89.2	0	0	0	108.8	A511 K512 L528 E529 V532 I542 G589 K590 F592	A511-F587 HydrophobicContact CB-CD2 3.77Å; A511-F587 HydrophobicContact CB-CE2 3.87Å; K512-F587 HydrophobicContact CG-CE2 3.66Å; K512-F587 HydrophobicContact CG-CZ 3.76Å; L528-F587 HydrophobicContact CB-CD1 3.84Å; L528-F587 HydrophobicContact CB-CD2 4.17Å; L528-F587 HydrophobicContact CB-CE1 3.54Å; L528-F587 HydrophobicContact CB-CE2 3.88Å; L528-F587 HydrophobicContact CB-CG 4.13Å; L528-F587 HydrophobicContact CB-CZ 3.54Å; L528-F587 HydrophobicContact CD1-CD2 3.74Å; L528-F587 HydrophobicContact CD1-CE2 4Å; L528-F587 HydrophobicContact CD1-CG 4.02Å; E529-F587 HydrophobicContact CG-CE1 4.07Å; E529-F587 HydrophobicContact CG-CZ 3.66Å; V532-F587 HydrophobicContact CG2-CD1 3.99Å; V532-F587 HydrophobicContact CG2-CE1 4.21Å; I542-F587 HydrophobicContact CD1-CB 4.1Å; I542-F587 HydrophobicContact CD1-CD1 4.46Å; F587-G589 PolarHBondContact O-N 3.23Å; F587-G589 VanDerWaalsContact O-N 3.08Å; F587-K590 PolarHBondContact N-O 2.87Å; F587-K590 WeakPolarHBondContact O-CB 3.39Å; F587-K590 PolarHBondContact O-N 2.89Å; F587-F592 HydrophobicContact CB-CE2 3.77Å; F587-F592 HydrophobicContact CB-CZ 3.7Å
588	D	90.6	Very high	91.9	Very high	86 Å²	86	44.1 Å²	44.1	46%	0.46	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.3	42.9	-174.6	-62.7	-15.6	0	0	0	113.4	K512 K590	K512-D588 VanDerWaalsContact NZ-CG 3.33Å; K512-D588 IonicContact NZ-OD1 3.37Å; K512-D588 PolarHBondContact NZ-OD1 2.9Å; K512-D588 IonicContact NZ-OD2 3.13Å; K512-D588 PolarHBondContact NZ-OD2 3.05Å; D588-K590 VanDerWaalsContact C-N 3.29Å; D588-K590 PolarHBondContact O-N 3.45Å
589	G	89.9	Confident	91.5	Very high	57 Å²	57	45.6 Å²	45.6	59%	0.588	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	0.2	179.9	0	0	0	0	0	115.9	F587	F587-G589 PolarHBondContact O-N 3.23Å; F587-G589 VanDerWaalsContact O-N 3.08Å
590	K	93.1	Very high	91.2	Very high	54 Å²	54	43.1 Å²	43.1	24%	0.235	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.7	176.7	-51.5	-64.8	-169.3	169	0	110.2	V532 M535 Q539 I542 E586 F587 D588	V532-K590 HydrophobicContact CG2-CG 4.46Å; M535-K590 HydrophobicContact CE-CB 4.32Å; M535-K590 HydrophobicContact CE-CD 3.81Å; M535-K590 HydrophobicContact CE-CG 3.98Å; M535-K590 HydrophobicContact SD-CB 4.45Å; M535-K590 HydrophobicContact SD-CD 4.1Å; M535-K590 HydrophobicContact SD-CG 3.82Å; Q539-K590 PolarHBondContact O-NZ 2.81Å; I542-K590 HydrophobicContact CD1-CB 4.04Å; I542-K590 HydrophobicContact CG1-CB 3.93Å; E586-K590 CarbonylContact C-O 3.5Å; E586-K590 WeakPolarHBondContact CA-O 3.45Å; E586-K590 VanDerWaalsContact CB-O 3.22Å; E586-K590 WeakPolarHBondContact CB-O 3.44Å; F587-K590 PolarHBondContact N-O 2.87Å; F587-K590 WeakPolarHBondContact O-CB 3.39Å; F587-K590 PolarHBondContact O-N 2.89Å; D588-K590 VanDerWaalsContact C-N 3.29Å; D588-K590 PolarHBondContact O-N 3.45Å
591	R	93.7	Very high	90.6	Very high	146 Å²	146	51 Å²	51	55%	0.551	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	143.8	178.8	-73.9	-177	-176.6	179.9	4.9	111.9	D540 K541 I542 E586	D540-R591 PolarHBondContact O-N 2.92Å; K541-R591 CarbonylContact C-O 3.57Å; K541-R591 VanDerWaalsContact CA-O 3.23Å; K541-R591 WeakPolarHBondContact CA-O 3.48Å; K541-R591 HydrophobicContact CD-CB 3.96Å; K541-R591 WeakPolarHBondContact CD-O 3.42Å; I542-R591 PolarHBondContact N-O 2.87Å; E586-R591 HydrophobicContact CB-CG 3.96Å; E586-R591 IonicContact OE2-CZ 2.62Å; E586-R591 IonicContact OE2-NE 3.38Å; E586-R591 PolarHBondContact OE2-NE 2.86Å; E586-R591 IonicContact OE2-NH2 3.45Å; E586-R591 PolarHBondContact OE2-NH2 3.4Å
592	F	94.1	Very high	89.9	Confident	29 Å²	29	51.7 Å²	51.7	13%	0.127	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.7	173.9	-64.2	-89.5	0	0	0	110.9	L528 I542 F544 I581 L584 F587	L528-F592 HydrophobicContact CD1-CE1 4.41Å; L528-F592 HydrophobicContact CD1-CZ 3.95Å; L528-F592 HydrophobicContact CD2-CE1 4.06Å; L528-F592 HydrophobicContact CD2-CZ 4.37Å; I542-F592 HydrophobicContact CB-CD1 3.89Å; I542-F592 HydrophobicContact CB-CE1 4.09Å; I542-F592 HydrophobicContact CD1-CD1 4.37Å; I542-F592 HydrophobicContact CD1-CE1 3.81Å; I542-F592 HydrophobicContact CD1-CE2 4.45Å; I542-F592 HydrophobicContact CD1-CZ 3.84Å; I542-F592 HydrophobicContact CG2-CD1 3.74Å; I542-F592 HydrophobicContact CG2-CE1 3.73Å; I542-F592 CarbonylContact O-C 3.59Å; I542-F592 WeakPolarHBondContact O-CA 3.36Å; F544-F592 HydrophobicContact CD1-CB 4.1Å; F544-F592 HydrophobicContact CD1-CD1 4.45Å; F544-F592 HydrophobicContact CE1-CB 3.78Å; I581-F592 HydrophobicContact CD1-CD1 4.26Å; I581-F592 HydrophobicContact CD1-CE1 3.99Å; I581-F592 HydrophobicContact CD1-CZ 4.46Å; I581-F592 HydrophobicContact CG2-CB 3.82Å; I581-F592 HydrophobicContact CG2-CD1 3.85Å; I581-F592 HydrophobicContact CG2-CD2 4.48Å; I581-F592 HydrophobicContact CG2-CG 3.79Å; L584-F592 HydrophobicContact CB-CE2 4.39Å; L584-F592 HydrophobicContact CD2-CE2 3.62Å; L584-F592 HydrophobicContact CD2-CZ 3.63Å; L584-F592 HydrophobicContact CG-CE2 3.74Å; L584-F592 HydrophobicContact CG-CZ 4.28Å; L584-F592 VanDerWaalsContact O-CD2 3.28Å; L584-F592 WeakPolarHBondContact O-CD2 3.33Å; F587-F592 HydrophobicContact CB-CE2 3.77Å; F587-F592 HydrophobicContact CB-CZ 3.7Å
593	Q	93.6	Very high	89.1	Confident	24 Å²	24	51 Å²	51	11%	0.112	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	111.5	175.7	175.2	66.8	62	0	0	109.3	K541 I542 Y543 F544 V595 E598 V600	K541-Q593 HydrophobicContact CB-CB 4Å; K541-Q593 HydrophobicContact CD-CB 4.34Å; K541-Q593 HydrophobicContact CG-CB 4.19Å; I542-Q593 PolarHBondContact O-N 3.44Å; Y543-Q593 WeakPolarHBondContact CA-O 3.4Å; Y543-Q593 HydrophobicContact CD1-CB 4.13Å; Y543-Q593 HydrophobicContact CD1-CG 4.11Å; Y543-Q593 HydrophobicContact CE1-CB 4.44Å; Y543-Q593 HydrophobicContact CE1-CG 4.23Å; F544-Q593 WeakPolarHBondContact CD1-O 3.41Å; F544-Q593 PolarHBondContact N-O 3.25Å; F544-Q593 VanDerWaalsContact N-O 3.09Å; Q593-V595 PolarHBondContact O-N 2.69Å; Q593-E598 PolarHBondContact NE2-O 2.73Å; Q593-E598 VanDerWaalsContact NE2-O 3.09Å; Q593-V600 HydrophobicContact CG-CG2 3.84Å
594	N	94	Very high	88.1	Confident	9 Å²	9	52.5 Å²	52.5	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	127.9	171.3	-172.7	-37.6	0	0	0	108.8	F544 E578 A596 K597	F544-N594 HydrophobicContact CD1-CB 4.49Å; F544-N594 HydrophobicContact CD2-CB 4.44Å; F544-N594 HydrophobicContact CE1-CB 3.82Å; F544-N594 VanDerWaalsContact CE1-N 3.26Å; F544-N594 HydrophobicContact CE2-CB 3.8Å; F544-N594 HydrophobicContact CZ-CB 3.47Å; F544-N594 VanDerWaalsContact CZ-CB 3.47Å; F544-N594 WeakPolarHBondContact O-CA 3.3Å; E578-N594 PolarHBondContact OE1-ND2 3.12Å; N594-A596 VanDerWaalsContact C-N 3.3Å; N594-A596 PolarHBondContact O-N 2.96Å; N594-A596 WeakPolarHBondContact OD1-CB 3.19Å; N594-A596 PolarHBondContact OD1-N 3.03Å; N594-K597 HydrophobicContact CB-CB 4.37Å; N594-K597 HydrophobicContact CB-CD 4.32Å; N594-K597 HydrophobicContact CB-CG 3.9Å; N594-K597 PolarHBondContact O-N 2.87Å
595	V	93.4	Very high	87.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.3	-177.9	-57.2	0	0	0	0	113.8	Y543 F544 M545 F558 V559 L562 Q593 R643	Y543-V595 HydrophobicContact CD1-CG1 4.43Å; F544-V595 WeakPolarHBondContact O-CG2 3.25Å; F544-V595 PolarHBondContact O-N 2.61Å; M545-V595 HydrophobicContact CB-CG2 3.65Å; M545-V595 HydrophobicContact CG-CG2 4.08Å; M545-V595 HydrophobicContact SD-CG2 3.66Å; F558-V595 HydrophobicContact CB-CB 4.14Å; F558-V595 HydrophobicContact CB-CG2 3.68Å; F558-V595 WeakPolarHBondContact CB-O 3.42Å; V559-V595 HydrophobicContact CG1-CG2 3.98Å; L562-V595 HydrophobicContact CD2-CG1 3.7Å; Q593-V595 PolarHBondContact O-N 2.69Å; V595-R643 PolarHBondContact O-NH1 2.85Å
596	A	91.8	Very high	87.3	Confident	6 Å²	6	56.9 Å²	56.9	5%	0.05	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.4	172.4	0	0	0	0	0	113.4	M545 F558 N594 A653	M545-A596 HydrophobicContact SD-CB 4.2Å; F558-A596 HydrophobicContact CD2-CB 3.62Å; F558-A596 HydrophobicContact CE2-CB 3.54Å; F558-A596 HydrophobicContact CG-CB 4.26Å; F558-A596 HydrophobicContact CZ-CB 4.09Å; N594-A596 VanDerWaalsContact C-N 3.3Å; N594-A596 PolarHBondContact O-N 2.96Å; N594-A596 WeakPolarHBondContact OD1-CB 3.19Å; N594-A596 PolarHBondContact OD1-N 3.03Å; A596-A653 PolarHBondContact O-N 3.44Å
597	K	91.1	Very high	86.9	Confident	36 Å²	36	60.4 Å²	60.4	16%	0.157	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-106.8	163.5	177.4	-57	-158.1	-176	-168.6	0	112.9	N594 R643 A653 G657	N594-K597 HydrophobicContact CB-CB 4.37Å; N594-K597 HydrophobicContact CB-CD 4.32Å; N594-K597 HydrophobicContact CB-CG 3.9Å; N594-K597 PolarHBondContact O-N 2.87Å; K597-R643 PolarHBondContact O-NH1 3.09Å; K597-R643 PolarHBondContact O-NH2 3.1Å; K597-A653 CarbonylContact C-O 3.59Å; K597-A653 WeakPolarHBondContact CA-O 3.21Å; K597-A653 HydrophobicContact CG-CB 4.16Å; K597-G657 WeakPolarHBondContact CE-O 3.32Å; K597-G657 PolarHBondContact NZ-O 2.85Å
598	E	87.9	Confident	86.3	Confident	52 Å²	52	61.8 Å²	61.8	24%	0.243	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	160.5	166.2	-69.5	-170.9	-172.5	0	0	111.8	Q593 K637 V652 A653 T688	Q593-E598 PolarHBondContact NE2-O 2.73Å; Q593-E598 VanDerWaalsContact NE2-O 3.09Å; E598-K637 WeakPolarHBondContact OE1-CE 3.19Å; E598-K637 IonicContact OE1-NZ 2.82Å; E598-K637 PolarHBondContact OE1-NZ 3.33Å; E598-K637 IonicContact OE2-NZ 3.81Å; E598-K637 PolarHBondContact OE2-NZ 2.63Å; E598-V652 HydrophobicContact CG-CG1 3.8Å; E598-A653 PolarHBondContact N-O 2.89Å; E598-T688 WeakPolarHBondContact OE1-CB 3.37Å; E598-T688 PolarHBondContact OE1-OG1 2.93Å
599	G	81.9	Confident	86	Confident	39 Å²	39	61.3 Å²	61.3	40%	0.402	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	103.8	-13.9	179.6	0	0	0	0	0	115.8	K601	G599-K601 PolarHBondContact O-N 2.94Å
600	V	84.9	Confident	85.9	Confident	12 Å²	12	64.1 Å²	64.1	7%	0.073	31%	0.313	C	S	.	.			trans	-63	105.5	172.3	-179.7	0	0	0	0	109.9	L562 Q593 F602	L562-V600 HydrophobicContact CD1-CG1 4.47Å; Q593-V600 HydrophobicContact CG-CG2 3.84Å; V600-F602 HydrophobicContact CG1-CE2 3.99Å; V600-F602 HydrophobicContact CG1-CZ 3.98Å
601	K	80.6	Confident	85.6	Confident	164 Å²	164	68.7 Å²	68.7	71%	0.713	33%	0.332	S	S	*	.			trans	-110.2	150.5	172.2	-66	178.2	-176.8	-180	0	109.5	G599	G599-K601 PolarHBondContact O-N 2.94Å
602	F	78.8	Confident	85.2	Confident	23 Å²	23	64.4 Å²	64.4	10%	0.101	32%	0.316	C	S	.	.			trans	-119.4	154.6	170.3	-57.3	-87.7	0	0	0	110.2	R561 L562 K565 Y567 V600 E604 Q642 R643	R561-F602 HydrophobicContact CB-CZ 4.44Å; L562-F602 HydrophobicContact CD1-CE1 4.17Å; L562-F602 HydrophobicContact CD1-CZ 3.81Å; L562-F602 HydrophobicContact CG-CE1 4.02Å; L562-F602 HydrophobicContact CG-CZ 4.18Å; K565-F602 HydrophobicContact CD-CD1 3.7Å; K565-F602 HydrophobicContact CD-CE1 4.13Å; K565-F602 HydrophobicContact CD-CG 4.35Å; Y567-F602 HydrophobicContact CE2-CD1 4.19Å; V600-F602 HydrophobicContact CG1-CE2 3.99Å; V600-F602 HydrophobicContact CG1-CZ 3.98Å; F602-E604 HydrophobicContact CB-CG 4.4Å; F602-E604 PolarHBondContact O-N 3Å; F602-Q642 HydrophobicContact CD2-CB 4.27Å; F602-Q642 HydrophobicContact CE2-CB 4.24Å; F602-Q642 WeakPolarHBondContact CE2-O 3.46Å; F602-R643 HydrophobicContact CE2-CB 4.46Å
603	E	72.4	Confident	84.9	Confident	120 Å²	120	66.7 Å²	66.7	56%	0.561	33%	0.328	S	S	*	.			trans	-64.9	134.5	154.7	-71.1	-154.2	141.3	0	0	109.8	K538 K565	K538-E603 VanDerWaalsContact CD-CD 3.43Å; K538-E603 VanDerWaalsContact CD-OE1 3.23Å; K538-E603 WeakPolarHBondContact CD-OE1 3.45Å; K538-E603 WeakPolarHBondContact CD-OE2 3.3Å; K538-E603 IonicContact NZ-OE1 2.71Å; K538-E603 PolarHBondContact NZ-OE1 3.48Å; K538-E603 IonicContact NZ-OE2 2.74Å; K538-E603 PolarHBondContact NZ-OE2 3.4Å; K565-E603 PolarHBondContact NZ-O 3.31Å
604	E	72	Confident	84.7	Confident	53 Å²	53	68.3 Å²	68.3	25%	0.248	35%	0.345	C	S	.	.			trans	-139.2	142.8	172.5	-59.5	-157.5	139.6	0	0	107.9	R561 K565 F602 A608	R561-E604 IonicContact CZ-OE1 3.2Å; R561-E604 IonicContact NH1-OE1 2.84Å; R561-E604 PolarHBondContact NH1-OE1 3.37Å; R561-E604 IonicContact NH2-OE1 2.67Å; R561-E604 PolarHBondContact NH2-OE1 2.8Å; K565-E604 IonicContact NZ-OE1 2.69Å; F602-E604 HydrophobicContact CB-CG 4.4Å; F602-E604 PolarHBondContact O-N 3Å; E604-A608 HydrophobicContact CB-CB 4.12Å
605	S	80.2	Confident	84.5	Confident	81 Å²	81	70.2 Å²	70.2	57%	0.566	36%	0.355	S	S	*	.			trans	-73.4	158.1	174.1	56.7	0	0	0	0	110.7	K607 A608 K609	S605-K607 PolarHBondContact O-N 2.67Å; S605-K607 VanDerWaalsContact O-N 3.16Å; S605-A608 WeakPolarHBondContact O-CA 3.31Å; S605-A608 WeakPolarHBondContact O-CB 3.39Å; S605-A608 PolarHBondContact O-N 2.92Å; S605-K609 PolarHBondContact O-N 2.96Å
606	E	82.3	Confident	84.3	Confident	113 Å²	113	73.2 Å²	73.2	53%	0.528	37%	0.369	S	S	.	.	H	α-helix	trans	-52.3	-41.4	178.3	-66.8	-61	143.1	0	0	111.8	A608 K609 E610	E606-A608 PolarHBondContact O-N 2.98Å; E606-K609 CarbonylContact O-C 3.5Å; E606-K609 WeakPolarHBondContact O-CB 3.26Å; E606-K609 PolarHBondContact O-N 3.29Å; E606-K609 VanDerWaalsContact O-N 3.1Å; E606-K609 IonicContact OE1-NZ 2.73Å; E606-K609 PolarHBondContact OE1-NZ 2.99Å; E606-K609 WeakPolarHBondContact OE2-CD 3.29Å; E606-K609 IonicContact OE2-NZ 3.98Å; E606-K609 PolarHBondContact OE2-NZ 3.41Å; E606-E610 WeakPolarHBondContact O-CB 3.32Å; E606-E610 VanDerWaalsContact O-CG 3.29Å; E606-E610 WeakPolarHBondContact O-CG 3.41Å; E606-E610 PolarHBondContact O-N 3Å
607	K	83.8	Confident	84.3	Confident	159 Å²	159	80 Å²	80	69%	0.691	40%	0.397	S	S	*	.	H	α-helix	trans	-63.8	-19.6	174.8	-67.6	-172.3	178.5	-177.7	0	115.6	S605 E610 K611	S605-K607 PolarHBondContact O-N 2.67Å; S605-K607 VanDerWaalsContact O-N 3.16Å; K607-E610 WeakPolarHBondContact CA-OE2 3.49Å; K607-K611 WeakPolarHBondContact O-CD 3.41Å; K607-K611 VanDerWaalsContact O-CG 3.29Å; K607-K611 WeakPolarHBondContact O-CG 3.3Å
608	A	82.1	Confident	84.3	Confident	35 Å²	35	83.3 Å²	83.3	29%	0.289	41%	0.413	S	S	.	.	H	α-helix	trans	-88.4	-38.4	172.4	0	0	0	0	0	111	E604 S605 E606 K611 R612	E604-A608 HydrophobicContact CB-CB 4.12Å; S605-A608 WeakPolarHBondContact O-CA 3.31Å; S605-A608 WeakPolarHBondContact O-CB 3.39Å; S605-A608 PolarHBondContact O-N 2.92Å; E606-A608 PolarHBondContact O-N 2.98Å; A608-K611 PolarHBondContact O-N 3.17Å; A608-R612 PolarHBondContact O-N 2.76Å
609	K	84.8	Confident	84.5	Confident	75 Å²	75	80.9 Å²	80.9	33%	0.326	40%	0.402	S	S	.	.	H	α-helix	trans	-63.7	-46.6	174.4	175.4	-177.8	154	-144.4	0	112.3	S605 E606 K611 R612 E613	S605-K609 PolarHBondContact O-N 2.96Å; E606-K609 CarbonylContact O-C 3.5Å; E606-K609 WeakPolarHBondContact O-CB 3.26Å; E606-K609 PolarHBondContact O-N 3.29Å; E606-K609 VanDerWaalsContact O-N 3.1Å; E606-K609 IonicContact OE1-NZ 2.73Å; E606-K609 PolarHBondContact OE1-NZ 2.99Å; E606-K609 WeakPolarHBondContact OE2-CD 3.29Å; E606-K609 IonicContact OE2-NZ 3.98Å; E606-K609 PolarHBondContact OE2-NZ 3.41Å; K609-K611 VanDerWaalsContact C-N 3.3Å; K609-K611 PolarHBondContact O-N 3.03Å; K609-R612 WeakPolarHBondContact O-CB 3.44Å; K609-R612 PolarHBondContact O-N 2.95Å; K609-R612 VanDerWaalsContact O-N 3.13Å; K609-E613 WeakPolarHBondContact CE-OE1 3.41Å; K609-E613 VanDerWaalsContact CG-OE1 3.23Å; K609-E613 WeakPolarHBondContact CG-OE1 2.9Å; K609-E613 WeakPolarHBondContact O-CG 3.07Å; K609-E613 PolarHBondContact O-N 2.92Å
610	E	87.8	Confident	85	Confident	116 Å²	116	84.5 Å²	84.5	54%	0.542	41%	0.408	S	S	.	.	H	α-helix	trans	-53.6	-45.3	170.6	-73.2	169.3	165.1	0	0	111.5	E606 K607 E613 A614	E606-E610 WeakPolarHBondContact O-CB 3.32Å; E606-E610 VanDerWaalsContact O-CG 3.29Å; E606-E610 WeakPolarHBondContact O-CG 3.41Å; E606-E610 PolarHBondContact O-N 3Å; K607-E610 WeakPolarHBondContact CA-OE2 3.49Å; E610-E613 PolarHBondContact O-N 3.33Å; E610-A614 WeakPolarHBondContact O-CB 3.45Å; E610-A614 PolarHBondContact O-N 3.33Å
611	K	86.4	Confident	85.3	Confident	150 Å²	150	86.7 Å²	86.7	65%	0.652	42%	0.423	S	S	*	.	H	α-helix	trans	-68.5	-34	178.4	-75.2	-179.7	179.5	-172.3	0	112.8	K607 A608 K609 L615	K607-K611 WeakPolarHBondContact O-CD 3.41Å; K607-K611 VanDerWaalsContact O-CG 3.29Å; K607-K611 WeakPolarHBondContact O-CG 3.3Å; A608-K611 PolarHBondContact O-N 3.17Å; K609-K611 VanDerWaalsContact C-N 3.3Å; K609-K611 PolarHBondContact O-N 3.03Å; K611-L615 WeakPolarHBondContact O-CB 3.44Å; K611-L615 WeakPolarHBondContact O-CD1 3.34Å; K611-L615 VanDerWaalsContact O-CG 3.28Å; K611-L615 WeakPolarHBondContact O-CG 2.98Å; K611-L615 PolarHBondContact O-N 3.44Å
612	R	85.1	Confident	85.8	Confident	56 Å²	56	79 Å²	79	21%	0.211	39%	0.389	C	S	.	.	H	α-helix	trans	-65.9	-47.2	172	-179.8	-172.4	55.4	68.9	17.7	110.4	A608 K609 A614 L615 E616	A608-R612 PolarHBondContact O-N 2.76Å; K609-R612 WeakPolarHBondContact O-CB 3.44Å; K609-R612 PolarHBondContact O-N 2.95Å; K609-R612 VanDerWaalsContact O-N 3.13Å; R612-A614 VanDerWaalsContact C-N 3.27Å; R612-A614 PolarHBondContact O-N 3.32Å; R612-L615 PolarHBondContact O-N 3.44Å; R612-L615 VanDerWaalsContact O-N 3.14Å; R612-E616 WeakPolarHBondContact CD-OE1 3.33Å; R612-E616 HydrophobicContact CG-CG 4.34Å; R612-E616 VanDerWaalsContact CG-OE1 3.27Å; R612-E616 WeakPolarHBondContact CG-OE1 3.41Å; R612-E616 IonicContact CZ-OE1 3.11Å; R612-E616 IonicContact CZ-OE2 2.64Å; R612-E616 IonicContact NE-OE1 2.69Å; R612-E616 IonicContact NH1-OE1 2.67Å; R612-E616 PolarHBondContact NH1-OE1 2.89Å; R612-E616 IonicContact NH1-OE2 3.52Å; R612-E616 PolarHBondContact NH1-OE2 2.99Å; R612-E616 WeakPolarHBondContact O-CB 3.33Å; R612-E616 WeakPolarHBondContact O-CG 3.29Å; R612-E616 PolarHBondContact O-N 2.96Å
613	E	87.6	Confident	86.4	Confident	78 Å²	78	78.9 Å²	78.9	36%	0.364	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-25.1	-180	-72	164.6	-158.3	0	0	113.1	K609 E610 K617	K609-E613 WeakPolarHBondContact CE-OE1 3.41Å; K609-E613 VanDerWaalsContact CG-OE1 3.23Å; K609-E613 WeakPolarHBondContact CG-OE1 2.9Å; K609-E613 WeakPolarHBondContact O-CG 3.07Å; K609-E613 PolarHBondContact O-N 2.92Å; E610-E613 PolarHBondContact O-N 3.33Å; E613-K617 WeakPolarHBondContact O-CG 3.43Å
614	A	90.1	Very high	87.4	Confident	58 Å²	58	76.4 Å²	76.4	48%	0.479	38%	0.384	S	S	.	.	H	α-helix	trans	-72.1	-47.1	167.4	0	0	0	0	0	112.1	E610 R612 E616 K617 E618	E610-A614 WeakPolarHBondContact O-CB 3.45Å; E610-A614 PolarHBondContact O-N 3.33Å; R612-A614 VanDerWaalsContact C-N 3.27Å; R612-A614 PolarHBondContact O-N 3.32Å; A614-E616 VanDerWaalsContact C-N 3.33Å; A614-E616 PolarHBondContact O-N 3.14Å; A614-K617 PolarHBondContact O-N 2.8Å; A614-E618 PolarHBondContact O-N 3.15Å
615	L	89.4	Confident	88.4	Confident	49 Å²	49	74.7 Å²	74.7	26%	0.257	38%	0.375	S	S	.	.	H	α-helix	trans	-63.2	-37.5	176.6	-74.4	166.3	0	0	0	112.2	K611 R612 K617 E618 F619 L640 P693	K611-L615 WeakPolarHBondContact O-CB 3.44Å; K611-L615 WeakPolarHBondContact O-CD1 3.34Å; K611-L615 VanDerWaalsContact O-CG 3.28Å; K611-L615 WeakPolarHBondContact O-CG 2.98Å; K611-L615 PolarHBondContact O-N 3.44Å; R612-L615 PolarHBondContact O-N 3.44Å; R612-L615 VanDerWaalsContact O-N 3.14Å; L615-K617 PolarHBondContact O-N 3.29Å; L615-E618 PolarHBondContact O-N 2.79Å; L615-E618 VanDerWaalsContact O-N 3.14Å; L615-F619 HydrophobicContact CD2-CD2 4.35Å; L615-F619 HydrophobicContact CD2-CE2 3.95Å; L615-F619 WeakPolarHBondContact O-CD2 3.49Å; L615-F619 PolarHBondContact O-N 2.99Å; L615-L640 HydrophobicContact CB-CD1 3.82Å; L615-L640 WeakPolarHBondContact O-CD1 3.44Å; L615-P693 HydrophobicContact CD1-CG 4.42Å; L615-P693 HydrophobicContact CD2-CB 4.46Å
616	E	90.2	Very high	88.9	Confident	62 Å²	62	71 Å²	71	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-33.1	178	-77	167.6	176.8	0	0	111.8	R612 A614 E620 L640	R612-E616 WeakPolarHBondContact CD-OE1 3.33Å; R612-E616 HydrophobicContact CG-CG 4.34Å; R612-E616 VanDerWaalsContact CG-OE1 3.27Å; R612-E616 WeakPolarHBondContact CG-OE1 3.41Å; R612-E616 IonicContact CZ-OE1 3.11Å; R612-E616 IonicContact CZ-OE2 2.64Å; R612-E616 IonicContact NE-OE1 2.69Å; R612-E616 IonicContact NH1-OE1 2.67Å; R612-E616 PolarHBondContact NH1-OE1 2.89Å; R612-E616 IonicContact NH1-OE2 3.52Å; R612-E616 PolarHBondContact NH1-OE2 2.99Å; R612-E616 WeakPolarHBondContact O-CB 3.33Å; R612-E616 WeakPolarHBondContact O-CG 3.29Å; R612-E616 PolarHBondContact O-N 2.96Å; A614-E616 VanDerWaalsContact C-N 3.33Å; A614-E616 PolarHBondContact O-N 3.14Å; E616-E620 WeakPolarHBondContact O-CB 3.49Å; E616-E620 PolarHBondContact O-N 3.2Å; E616-E620 VanDerWaalsContact O-N 3.13Å; E616-L640 HydrophobicContact CB-CD1 4.45Å; E616-L640 HydrophobicContact CG-CB 4.31Å; E616-L640 HydrophobicContact CG-CD1 3.87Å; E616-L640 HydrophobicContact CG-CG 4.19Å
617	K	90.4	Very high	89.3	Confident	150 Å²	150	69.5 Å²	69.5	65%	0.652	34%	0.341	S	S	*	.	H	α-helix	trans	-78.8	-36.3	172.6	-65	172.2	-174.5	176.6	0	113.1	E613 A614 L615 F619	E613-K617 WeakPolarHBondContact O-CG 3.43Å; A614-K617 PolarHBondContact O-N 2.8Å; L615-K617 PolarHBondContact O-N 3.29Å; K617-F619 VanDerWaalsContact C-N 3.3Å; K617-F619 PolarHBondContact O-N 2.62Å
618	E	91.4	Very high	89.6	Confident	105 Å²	105	65.9 Å²	65.9	49%	0.491	33%	0.329	S	S	.	.	H	α-helix	trans	-62.1	-37.7	175.8	-175.9	-175.5	149.2	0	0	111.8	A614 L615 L702	A614-E618 PolarHBondContact O-N 3.15Å; L615-E618 PolarHBondContact O-N 2.79Å; L615-E618 VanDerWaalsContact O-N 3.14Å; E618-L702 HydrophobicContact CG-CD2 4.28Å
619	F	92.6	Very high	89.8	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	33%	0.332	C	S	.	.	S	Bend	trans	-99.6	-1.5	-177.6	-74.1	-96.9	0	0	0	114.4	L615 K617 P621 L622 T623 L640 P693 V698 K699 L702	L615-F619 HydrophobicContact CD2-CD2 4.35Å; L615-F619 HydrophobicContact CD2-CE2 3.95Å; L615-F619 WeakPolarHBondContact O-CD2 3.49Å; L615-F619 PolarHBondContact O-N 2.99Å; K617-F619 VanDerWaalsContact C-N 3.3Å; K617-F619 PolarHBondContact O-N 2.62Å; F619-P621 VanDerWaalsContact C-N 3.32Å; F619-L622 HydrophobicContact CD1-CD2 4.17Å; F619-L622 PolarHBondContact O-N 2.93Å; F619-T623 PolarHBondContact O-N 3.44Å; F619-T623 PolarHBondContact O-OG1 2.89Å; F619-L640 HydrophobicContact CB-CD1 4.25Å; F619-L640 HydrophobicContact CB-CD2 3.77Å; F619-L640 HydrophobicContact CB-CG 4.38Å; F619-L640 HydrophobicContact CD2-CD1 4.43Å; F619-L640 HydrophobicContact CG-CD2 4.08Å; F619-P693 HydrophobicContact CD1-CB 4.46Å; F619-P693 HydrophobicContact CD2-CB 3.91Å; F619-P693 HydrophobicContact CE1-CB 4.21Å; F619-P693 HydrophobicContact CE2-CB 3.62Å; F619-P693 HydrophobicContact CG-CB 4.33Å; F619-P693 HydrophobicContact CZ-CB 3.78Å; F619-V698 HydrophobicContact CD1-CG1 4.28Å; F619-V698 HydrophobicContact CE1-CG1 3.96Å; F619-K699 HydrophobicContact CZ-CG 4.22Å; F619-L702 HydrophobicContact CD1-CB 4.41Å; F619-L702 HydrophobicContact CD1-CD2 3.89Å; F619-L702 HydrophobicContact CD2-CD2 4.35Å; F619-L702 HydrophobicContact CE1-CB 4.18Å; F619-L702 HydrophobicContact CE1-CD2 3.76Å; F619-L702 HydrophobicContact CE2-CD2 4.23Å; F619-L702 HydrophobicContact CG-CD2 4.18Å; F619-L702 HydrophobicContact CZ-CD2 3.94Å
620	E	91.9	Very high	89.7	Confident	115 Å²	115	65.3 Å²	65.3	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-50.3	-40.8	177	-171.9	170	-168.2	0	0	113.8	E616 T623 T624	E616-E620 WeakPolarHBondContact O-CB 3.49Å; E616-E620 PolarHBondContact O-N 3.2Å; E616-E620 VanDerWaalsContact O-N 3.13Å; E620-T623 WeakPolarHBondContact CA-OG1 3.42Å; E620-T623 PolarHBondContact O-OG1 3.02Å; E620-T623 VanDerWaalsContact O-OG1 3.04Å; E620-T624 WeakPolarHBondContact O-CB 3.45Å; E620-T624 PolarHBondContact O-N 3.25Å; E620-T624 PolarHBondContact O-OG1 3.48Å
621	P	92.1	Very high	89.7	Confident	58 Å²	58	59.8 Å²	59.8	38%	0.377	30%	0.297	S	S	.	.	H	α-helix	trans	-62.2	-43.4	175.1	-22.8	34.9	0	0	0	112.8	F619 T624 W625	F619-P621 VanDerWaalsContact C-N 3.32Å; P621-T624 PolarHBondContact O-N 2.86Å; P621-W625 VanDerWaalsContact O-CB 3.31Å; P621-W625 WeakPolarHBondContact O-CB 3.48Å; P621-W625 PolarHBondContact O-N 3.21Å
622	L	90.6	Very high	89.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-42.6	179.8	179	64.8	0	0	0	111.5	F619 T624 W625 L626 I691 V698 M701 L702 V705	F619-L622 HydrophobicContact CD1-CD2 4.17Å; F619-L622 PolarHBondContact O-N 2.93Å; L622-T624 VanDerWaalsContact C-N 3.3Å; L622-T624 PolarHBondContact O-N 2.91Å; L622-W625 HydrophobicContact CD1-CE3 4.08Å; L622-W625 HydrophobicContact CD1-CZ3 4.44Å; L622-W625 PolarHBondContact O-N 3.48Å; L622-L626 HydrophobicContact CD1-CD1 4.2Å; L622-L626 HydrophobicContact CD1-CG 4.1Å; L622-L626 HydrophobicContact CG-CD1 3.96Å; L622-L626 HydrophobicContact CG-CG 4.33Å; L622-L626 VanDerWaalsContact O-CB 3.32Å; L622-L626 WeakPolarHBondContact O-CB 3.5Å; L622-L626 VanDerWaalsContact O-CG 3.23Å; L622-L626 WeakPolarHBondContact O-CG 3.41Å; L622-L626 PolarHBondContact O-N 3.28Å; L622-I691 HydrophobicContact CD2-CD1 4.06Å; L622-I691 HydrophobicContact CG-CD1 4.47Å; L622-V698 HydrophobicContact CD2-CG1 3.96Å; L622-M701 HydrophobicContact CD1-CB 4.07Å; L622-M701 HydrophobicContact CD1-CE 4.45Å; L622-M701 HydrophobicContact CD2-CB 4.14Å; L622-L702 HydrophobicContact CB-CD1 3.82Å; L622-L702 HydrophobicContact CD2-CB 4.21Å; L622-V705 HydrophobicContact CD1-CB 4.46Å; L622-V705 HydrophobicContact CD1-CG2 3.93Å
623	T	91.9	Very high	89.7	Confident	22 Å²	22	61.5 Å²	61.5	14%	0.135	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-35.7	177.3	45.9	0	0	0	0	112.3	F619 E620 K627 A638 I691	F619-T623 PolarHBondContact O-N 3.44Å; F619-T623 PolarHBondContact O-OG1 2.89Å; E620-T623 WeakPolarHBondContact CA-OG1 3.42Å; E620-T623 PolarHBondContact O-OG1 3.02Å; E620-T623 VanDerWaalsContact O-OG1 3.04Å; T623-K627 WeakPolarHBondContact O-CB 3.36Å; T623-K627 PolarHBondContact O-N 3.46Å; T623-A638 HydrophobicContact CG2-CB 4.19Å; T623-I691 HydrophobicContact CG2-CD1 3.85Å
624	T	92.8	Very high	89.6	Confident	67 Å²	67	61.7 Å²	61.7	41%	0.411	31%	0.31	S	S	.	.	H	α-helix	trans	-69.6	-48.9	176.2	-53.3	0	0	0	0	110.9	E620 P621 L622 L626 K627 D628	E620-T624 WeakPolarHBondContact O-CB 3.45Å; E620-T624 PolarHBondContact O-N 3.25Å; E620-T624 PolarHBondContact O-OG1 3.48Å; P621-T624 PolarHBondContact O-N 2.86Å; L622-T624 VanDerWaalsContact C-N 3.3Å; L622-T624 PolarHBondContact O-N 2.91Å; T624-L626 PolarHBondContact O-N 2.87Å; T624-K627 PolarHBondContact O-N 2.7Å; T624-D628 WeakPolarHBondContact O-CB 3.24Å; T624-D628 PolarHBondContact O-N 2.8Å
625	W	92.6	Very high	89.6	Confident	18 Å²	18	59.2 Å²	59.2	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-41	177.6	177.1	93.3	0	0	0	113	P621 L622 K627 K629 A630 M701 V705 S709 A714 A718	P621-W625 VanDerWaalsContact O-CB 3.31Å; P621-W625 WeakPolarHBondContact O-CB 3.48Å; P621-W625 PolarHBondContact O-N 3.21Å; L622-W625 HydrophobicContact CD1-CE3 4.08Å; L622-W625 HydrophobicContact CD1-CZ3 4.44Å; L622-W625 PolarHBondContact O-N 3.48Å; W625-K627 VanDerWaalsContact C-N 3.35Å; W625-K627 PolarHBondContact O-N 3.02Å; W625-K629 WeakPolarHBondContact O-CA 3.45Å; W625-K629 WeakPolarHBondContact O-CB 3.49Å; W625-K629 PolarHBondContact O-N 2.93Å; W625-A630 HydrophobicContact CD2-CB 4.35Å; W625-A630 HydrophobicContact CE3-CB 3.99Å; W625-A630 HydrophobicContact CH2-CB 3.52Å; W625-A630 HydrophobicContact CZ2-CB 3.91Å; W625-A630 HydrophobicContact CZ3-CB 3.57Å; W625-A630 PolarHBondContact O-N 3.29Å; W625-A630 VanDerWaalsContact O-N 3.09Å; W625-M701 HydrophobicContact CZ3-CE 4.22Å; W625-V705 HydrophobicContact CB-CG1 3.75Å; W625-V705 HydrophobicContact CD2-CB 4.46Å; W625-V705 HydrophobicContact CD2-CG1 3.96Å; W625-V705 HydrophobicContact CD2-CG2 3.57Å; W625-V705 HydrophobicContact CE3-CG2 3.61Å; W625-V705 HydrophobicContact CG-CG1 3.58Å; W625-V705 HydrophobicContact CG-CG2 4.13Å; W625-V705 HydrophobicContact CH2-CG2 4.06Å; W625-V705 HydrophobicContact CZ2-CG2 4.02Å; W625-V705 HydrophobicContact CZ3-CG2 3.86Å; W625-S709 PolarHBondContact NE1-O 3.42Å; W625-A714 HydrophobicContact CH2-CB 4.11Å; W625-A714 HydrophobicContact CZ2-CB 4.28Å; W625-A718 HydrophobicContact CH2-CB 3.94Å; W625-A718 HydrophobicContact CZ3-CB 3.83Å
626	L	91.3	Very high	89.6	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	30%	0.297	C	S	.	.	I	π-helix	trans	-59.7	-44.5	174.9	-78.5	170.3	0	0	0	111.6	L622 T624 L631 A638 L689 I691 M701 A718	L622-L626 HydrophobicContact CD1-CD1 4.2Å; L622-L626 HydrophobicContact CD1-CG 4.1Å; L622-L626 HydrophobicContact CG-CD1 3.96Å; L622-L626 HydrophobicContact CG-CG 4.33Å; L622-L626 VanDerWaalsContact O-CB 3.32Å; L622-L626 WeakPolarHBondContact O-CB 3.5Å; L622-L626 VanDerWaalsContact O-CG 3.23Å; L622-L626 WeakPolarHBondContact O-CG 3.41Å; L622-L626 PolarHBondContact O-N 3.28Å; T624-L626 PolarHBondContact O-N 2.87Å; L626-L631 HydrophobicContact CD2-CD1 4.05Å; L626-L631 HydrophobicContact CD2-CG 4.49Å; L626-L631 WeakPolarHBondContact O-CA 3.43Å; L626-L631 VanDerWaalsContact O-CB 3.27Å; L626-L631 WeakPolarHBondContact O-CB 3.44Å; L626-L631 PolarHBondContact O-N 3.3Å; L626-A638 HydrophobicContact CB-CB 4.11Å; L626-A638 HydrophobicContact CD1-CB 4.38Å; L626-L689 HydrophobicContact CD1-CD2 4.38Å; L626-I691 HydrophobicContact CD1-CD1 4.29Å; L626-I691 HydrophobicContact CD1-CG2 4.19Å; L626-M701 HydrophobicContact CD2-CE 4.13Å; L626-A718 HydrophobicContact CD2-CB 3.9Å
627	K	90.5	Very high	89.6	Confident	82 Å²	82	61 Å²	61	36%	0.357	30%	0.295	S	S	.	.	I	π-helix	trans	-73.8	-46.4	-177.5	-179.4	-172.7	160.4	-86.4	0	113	T623 T624 W625 K632 I635	T623-K627 WeakPolarHBondContact O-CB 3.36Å; T623-K627 PolarHBondContact O-N 3.46Å; T624-K627 PolarHBondContact O-N 2.7Å; W625-K627 VanDerWaalsContact C-N 3.35Å; W625-K627 PolarHBondContact O-N 3.02Å; K627-K632 WeakPolarHBondContact O-CA 3.34Å; K627-I635 HydrophobicContact CB-CD1 4.41Å
628	D	89.4	Confident	89.7	Confident	82 Å²	82	54.3 Å²	54.3	44%	0.439	27%	0.268	S	S	.	.	I	π-helix	trans	-98.4	-18	-165.6	-63.6	-26	0	0	0	113.5	T624	T624-D628 WeakPolarHBondContact O-CB 3.24Å; T624-D628 PolarHBondContact O-N 2.8Å
629	K	86.6	Confident	89.8	Confident	84 Å²	84	51.9 Å²	51.9	37%	0.365	26%	0.26	S	S	.	.	I	π-helix	trans	-113.2	-77.1	168.8	-62.1	-160.9	-166	-178.4	0	112.8	W625 L631 K632 S709 E710	W625-K629 WeakPolarHBondContact O-CA 3.45Å; W625-K629 WeakPolarHBondContact O-CB 3.49Å; W625-K629 PolarHBondContact O-N 2.93Å; K629-L631 PolarHBondContact O-N 3.4Å; K629-K632 VanDerWaalsContact O-CB 3.27Å; K629-K632 WeakPolarHBondContact O-CB 3.5Å; K629-K632 PolarHBondContact O-N 3.43Å; K629-S709 PolarHBondContact NZ-O 3.4Å; K629-S709 PolarHBondContact NZ-OG 3.14Å; K629-E710 IonicContact NZ-OE1 3.5Å; K629-E710 PolarHBondContact NZ-OE1 2.9Å; K629-E710 IonicContact NZ-OE2 3.98Å; K629-E710 PolarHBondContact NZ-OE2 3.04Å
630	A	83.5	Confident	89.7	Confident	14 Å²	14	52.8 Å²	52.8	12%	0.116	27%	0.265	C	S	.	.	I	π-helix	trans	-70.4	-35.1	-157	0	0	0	0	0	114.8	W625 A718	W625-A630 HydrophobicContact CD2-CB 4.35Å; W625-A630 HydrophobicContact CE3-CB 3.99Å; W625-A630 HydrophobicContact CH2-CB 3.52Å; W625-A630 HydrophobicContact CZ2-CB 3.91Å; W625-A630 HydrophobicContact CZ3-CB 3.57Å; W625-A630 PolarHBondContact O-N 3.29Å; W625-A630 VanDerWaalsContact O-N 3.09Å; A630-A718 HydrophobicContact CB-CB 3.93Å
631	L	86.9	Confident	89.4	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	28.1	177.2	-55.2	172.7	0	0	0	111.1	L626 K629 D633 K634 I635 L689 V719 F722	L626-L631 HydrophobicContact CD2-CD1 4.05Å; L626-L631 HydrophobicContact CD2-CG 4.49Å; L626-L631 WeakPolarHBondContact O-CA 3.43Å; L626-L631 VanDerWaalsContact O-CB 3.27Å; L626-L631 WeakPolarHBondContact O-CB 3.44Å; L626-L631 PolarHBondContact O-N 3.3Å; K629-L631 PolarHBondContact O-N 3.4Å; L631-D633 PolarHBondContact O-N 3.42Å; L631-K634 HydrophobicContact CB-CB 4.33Å; L631-K634 HydrophobicContact CD2-CD 4.32Å; L631-K634 WeakPolarHBondContact O-CB 3.41Å; L631-K634 PolarHBondContact O-N 3.35Å; L631-I635 HydrophobicContact CB-CD1 4.09Å; L631-I635 HydrophobicContact CB-CG1 4.05Å; L631-I635 HydrophobicContact CB-CG2 4.39Å; L631-I635 HydrophobicContact CD1-CD1 4.3Å; L631-I635 PolarHBondContact O-N 2.8Å; L631-L689 HydrophobicContact CD1-CD2 3.54Å; L631-V719 HydrophobicContact CD2-CG2 4.15Å; L631-F722 HydrophobicContact CD1-CB 3.76Å; L631-F722 HydrophobicContact CD1-CD2 4.01Å; L631-F722 HydrophobicContact CD1-CG 4.11Å; L631-F722 HydrophobicContact CD2-CB 3.54Å; L631-F722 HydrophobicContact CD2-CD1 4.22Å; L631-F722 HydrophobicContact CD2-CD2 4.34Å; L631-F722 HydrophobicContact CD2-CG 3.78Å; L631-F722 HydrophobicContact CG-CB 4.32Å
632	K	86.3	Confident	88.9	Confident	135 Å²	135	48.1 Å²	48.1	59%	0.587	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.9	174.6	-175	-178.4	174.4	-175.7	0	109.7	K627 K629 K634	K627-K632 WeakPolarHBondContact O-CA 3.34Å; K629-K632 VanDerWaalsContact O-CB 3.27Å; K629-K632 WeakPolarHBondContact O-CB 3.5Å; K629-K632 PolarHBondContact O-N 3.43Å; K632-K634 PolarHBondContact O-N 3.12Å
633	D	85.4	Confident	88.7	Confident	106 Å²	106	48.4 Å²	48.4	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	-10.4	-174	-67.2	-63.6	0	0	0	117.3	L631 K686	L631-D633 PolarHBondContact O-N 3.42Å; D633-K686 WeakPolarHBondContact O-CE 3.24Å; D633-K686 IonicContact OD1-NZ 3.03Å; D633-K686 PolarHBondContact OD1-NZ 2.78Å
634	K	85.8	Confident	88.5	Confident	82 Å²	82	48 Å²	48	36%	0.357	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-29.6	170	-69.4	-173.7	171.2	-173.9	0	113.5	L631 K632 F722 E723	L631-K634 HydrophobicContact CB-CB 4.33Å; L631-K634 HydrophobicContact CD2-CD 4.32Å; L631-K634 WeakPolarHBondContact O-CB 3.41Å; L631-K634 PolarHBondContact O-N 3.35Å; K632-K634 PolarHBondContact O-N 3.12Å; K634-F722 HydrophobicContact CB-CE1 4.09Å; K634-F722 HydrophobicContact CB-CE2 4.22Å; K634-F722 HydrophobicContact CB-CZ 3.84Å; K634-F722 HydrophobicContact CD-CD1 3.95Å; K634-F722 HydrophobicContact CD-CE1 3.72Å; K634-F722 HydrophobicContact CD-CZ 4.36Å; K634-F722 HydrophobicContact CG-CE1 4.3Å; K634-F722 HydrophobicContact CG-CZ 4.49Å; K634-E723 IonicContact NZ-OE1 2.61Å; K634-E723 PolarHBondContact NZ-OE1 2.09Å
635	I	90.1	Very high	88.3	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.036	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.8	-178	64.4	173.9	0	0	0	113.8	K627 L631 A638 L651 K687 L689 F722	K627-I635 HydrophobicContact CB-CD1 4.41Å; L631-I635 HydrophobicContact CB-CD1 4.09Å; L631-I635 HydrophobicContact CB-CG1 4.05Å; L631-I635 HydrophobicContact CB-CG2 4.39Å; L631-I635 HydrophobicContact CD1-CD1 4.3Å; L631-I635 PolarHBondContact O-N 2.8Å; I635-A638 HydrophobicContact CD1-CB 3.94Å; I635-L651 HydrophobicContact CG2-CD2 4.3Å; I635-K687 WeakPolarHBondContact CA-O 3.21Å; I635-L689 HydrophobicContact CD1-CB 4.09Å; I635-L689 HydrophobicContact CD1-CD2 4.32Å; I635-L689 HydrophobicContact CG2-CB 4.15Å; I635-F722 HydrophobicContact CG2-CD2 3.8Å; I635-F722 HydrophobicContact CG2-CE2 3.46Å; I635-F722 VanDerWaalsContact CG2-CE2 3.46Å
636	E	89.6	Confident	88.1	Confident	89 Å²	89	50.9 Å²	50.9	42%	0.416	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-49	171.5	-173.4	-165	128	0	0	110.4	K686 K687	E636-K686 HydrophobicContact CB-CB 4.09Å; E636-K687 PolarHBondContact N-O 2.94Å
637	K	90.8	Very high	88.1	Confident	58 Å²	58	51.6 Å²	51.6	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	149.6	-177.8	63.6	-156.1	172.1	-148.5	0	110.5	E598 V639 T688 L689	E598-K637 WeakPolarHBondContact OE1-CE 3.19Å; E598-K637 IonicContact OE1-NZ 2.82Å; E598-K637 PolarHBondContact OE1-NZ 3.33Å; E598-K637 IonicContact OE2-NZ 3.81Å; E598-K637 PolarHBondContact OE2-NZ 2.63Å; K637-V639 HydrophobicContact CG-CG1 4.23Å; K637-T688 WeakPolarHBondContact CE-OG1 3.27Å; K637-T688 HydrophobicContact CG-CG2 3.94Å; K637-L689 PolarHBondContact O-N 2.96Å
638	A	92.3	Very high	88.1	Confident	10 Å²	10	49.3 Å²	49.3	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.2	166.7	0	0	0	0	0	109.1	T623 L626 I635 L689	T623-A638 HydrophobicContact CG2-CB 4.19Å; L626-A638 HydrophobicContact CB-CB 4.11Å; L626-A638 HydrophobicContact CD1-CB 4.38Å; I635-A638 HydrophobicContact CD1-CB 3.94Å; A638-L689 CarbonylContact C-O 3.53Å; A638-L689 WeakPolarHBondContact CA-O 3.46Å; A638-L689 HydrophobicContact CB-CB 4.48Å
639	V	92.5	Very high	88.3	Confident	55 Å²	55	45.7 Å²	45.7	33%	0.333	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.3	-177.2	-61	0	0	0	0	111.3	K637 S641 T688 L689 E690 I691	K637-V639 HydrophobicContact CG-CG1 4.23Å; V639-S641 PolarHBondContact O-N 2.83Å; V639-T688 HydrophobicContact CG2-CG2 3.91Å; V639-L689 PolarHBondContact N-O 2.85Å; V639-E690 HydrophobicContact CG2-CG 3.94Å; V639-E690 WeakPolarHBondContact O-CA 3.47Å; V639-I691 PolarHBondContact O-N 3.08Å
640	L	90.3	Very high	88.6	Confident	20 Å²	20	41.7 Å²	41.7	11%	0.105	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	129.6	171.9	-64.6	-164.1	0	0	0	111.1	L615 E616 F619 I691 P693	L615-L640 HydrophobicContact CB-CD1 3.82Å; L615-L640 WeakPolarHBondContact O-CD1 3.44Å; E616-L640 HydrophobicContact CB-CD1 4.45Å; E616-L640 HydrophobicContact CG-CB 4.31Å; E616-L640 HydrophobicContact CG-CD1 3.87Å; E616-L640 HydrophobicContact CG-CG 4.19Å; F619-L640 HydrophobicContact CB-CD1 4.25Å; F619-L640 HydrophobicContact CB-CD2 3.77Å; F619-L640 HydrophobicContact CB-CG 4.38Å; F619-L640 HydrophobicContact CD2-CD1 4.43Å; F619-L640 HydrophobicContact CG-CD2 4.08Å; L640-I691 HydrophobicContact CD2-CD1 3.88Å; L640-I691 HydrophobicContact CD2-CG1 3.6Å; L640-P693 HydrophobicContact CD1-CB 4.15Å; L640-P693 HydrophobicContact CD1-CG 4.1Å; L640-P693 HydrophobicContact CD2-CB 4.14Å; L640-P693 HydrophobicContact CD2-CG 4.36Å
641	S	86.3	Confident	89	Confident	19 Å²	19	41.1 Å²	41.1	13%	0.133	21%	0.211	C	C	.	.			trans	-69.4	136.7	179.8	-171.2	0	0	0	0	112.3	V639 R643 L644 E690 I691	V639-S641 PolarHBondContact O-N 2.83Å; S641-R643 PolarHBondContact OG-N 3.23Å; S641-L644 VanDerWaalsContact OG-CG 3.29Å; S641-L644 WeakPolarHBondContact OG-CG 3.28Å; S641-L644 PolarHBondContact OG-N 2.85Å; S641-E690 WeakPolarHBondContact CA-OE2 3.46Å; S641-E690 VanDerWaalsContact CB-OE2 3.31Å; S641-E690 WeakPolarHBondContact CB-OE2 3.42Å; S641-E690 PolarHBondContact OG-OE2 3.43Å; S641-I691 WeakPolarHBondContact CB-O 3.49Å; S641-I691 PolarHBondContact N-O 2.75Å
642	Q	80.9	Confident	89.2	Confident	55 Å²	55	41.1 Å²	41.1	26%	0.257	21%	0.211	S	C	.	.	S	Bend	trans	-93	-9.8	162.8	-61.7	-169.2	17.5	0	0	113.1	R561 F602	R561-Q642 WeakPolarHBondContact CD-O 3.43Å; R561-Q642 PolarHBondContact NH1-O 3.17Å; F602-Q642 HydrophobicContact CD2-CB 4.27Å; F602-Q642 HydrophobicContact CE2-CB 4.24Å; F602-Q642 WeakPolarHBondContact CE2-O 3.46Å
643	R	86.4	Confident	89.5	Confident	8 Å²	8	34.8 Å²	34.8	3%	0.03	18%	0.184	C	C	.	.	S	Bend	trans	-113.5	-19.3	-169.4	78.1	-167	77.6	-159.1	7.6	115.9	R561 V595 K597 F602 S641 E690	R561-R643 WeakPolarHBondContact CB-O 3.08Å; R561-R643 PolarHBondContact N-O 3.08Å; V595-R643 PolarHBondContact O-NH1 2.85Å; K597-R643 PolarHBondContact O-NH1 3.09Å; K597-R643 PolarHBondContact O-NH2 3.1Å; F602-R643 HydrophobicContact CE2-CB 4.46Å; S641-R643 PolarHBondContact OG-N 3.23Å; R643-E690 WeakPolarHBondContact CG-OE2 3.45Å; R643-E690 IonicContact CZ-OE1 3.98Å; R643-E690 IonicContact CZ-OE2 2.59Å; R643-E690 VanDerWaalsContact NE-CD 3.31Å; R643-E690 IonicContact NE-OE1 2.82Å; R643-E690 PolarHBondContact NE-OE1 2.9Å; R643-E690 IonicContact NE-OE2 2.79Å; R643-E690 PolarHBondContact NE-OE2 2.79Å; R643-E690 IonicContact NH2-OE1 3.27Å; R643-E690 PolarHBondContact NH2-OE1 3.25Å
644	L	88.4	Confident	89.6	Confident	12 Å²	12	31 Å²	31	6%	0.063	17%	0.165	C	C	.	.			trans	-78.2	156.4	177.2	-58.9	173.5	0	0	0	112.7	P557 S641 C649 A650 N692	P557-L644 HydrophobicContact CB-CD2 3.67Å; P557-L644 WeakPolarHBondContact O-CD2 3.33Å; S641-L644 VanDerWaalsContact OG-CG 3.29Å; S641-L644 WeakPolarHBondContact OG-CG 3.28Å; S641-L644 PolarHBondContact OG-N 2.85Å; L644-C649 VanDerWaalsContact CD1-CA 3.49Å; L644-A650 HydrophobicContact CD2-CB 3.97Å; L644-N692 HydrophobicContact CB-CB 4.07Å; L644-N692 HydrophobicContact CD1-CB 4.04Å
645	T	87.6	Confident	89.6	Confident	33 Å²	33	32.5 Å²	32.5	20%	0.202	17%	0.174	C	C	.	.	S	Bend	trans	-135.8	-52	172.2	70.1	0	0	0	0	113.6	E560 R561 K564 N692	E560-T645 HydrophobicContact CB-CG2 4.14Å; E560-T645 VanDerWaalsContact OE2-CA 3.28Å; E560-T645 WeakPolarHBondContact OE2-CA 3.45Å; E560-T645 WeakPolarHBondContact OE2-CB 3.44Å; E560-T645 PolarHBondContact OE2-N 2.87Å; E560-T645 PolarHBondContact OE2-OG1 3.13Å; R561-T645 HydrophobicContact CB-CG2 3.59Å; R561-T645 HydrophobicContact CG-CG2 3.88Å; K564-T645 HydrophobicContact CD-CG2 4.15Å; T645-N692 VanDerWaalsContact C-ND2 3.34Å; T645-N692 PolarHBondContact O-ND2 3.04Å
646	N	88.6	Confident	89.2	Confident	114 Å²	114	41 Å²	41	61%	0.61	21%	0.207	S	C	*	.	S	Bend	trans	-104.7	-45	-177	-64.7	-11.6	0	0	0	109.8	E560 H695	E560-N646 PolarHBondContact OE2-N 2.86Å; N646-H695 PolarHBondContact O-CD2 3.39Å
647	S	92.2	Very high	88.9	Confident	17 Å²	17	36.8 Å²	36.8	12%	0.119	19%	0.188	C	C	.	.	S	Bend	trans	-63.1	144.6	178.7	-64.9	0	0	0	0	112.4	E560 N692	E560-S647 WeakPolarHBondContact OE1-CB 3.25Å; E560-S647 PolarHBondContact OE1-N 2.83Å; E560-S647 VanDerWaalsContact OE1-N 3.11Å; E560-S647 PolarHBondContact OE1-OG 3.12Å; E560-S647 PolarHBondContact OE2-N 3.19Å; S647-N692 VanDerWaalsContact O-CB 3.27Å; S647-N692 WeakPolarHBondContact O-CB 3.46Å; S647-N692 PolarHBondContact O-ND2 3.07Å
648	P	91.2	Very high	88.7	Confident	35 Å²	35	35.4 Å²	35.4	23%	0.227	18%	0.181	C	C	.	.	S	Bend	trans	-72.6	-38.4	-176.1	26.9	-34	0	0	0	113.2	N692 V698 L721	P648-N692 VanDerWaalsContact O-CB 3.29Å; P648-N692 WeakPolarHBondContact O-CB 3.2Å; P648-N692 PolarHBondContact O-N 3.23Å; P648-V698 HydrophobicContact CB-CG2 4.32Å; P648-V698 WeakPolarHBondContact O-CG2 3.45Å; P648-L721 HydrophobicContact CB-CD1 4.13Å; P648-L721 HydrophobicContact CG-CD1 4.21Å
649	C	92.1	Very high	88.5	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	166.8	-179.6	56.9	0	0	0	0	110.7	L644 L689 E690 I691 L721	L644-C649 VanDerWaalsContact CD1-CA 3.49Å; C649-L689 HydrophobicContact CB-CD1 3.99Å; C649-E690 CarbonylContact C-O 3.59Å; C649-E690 WeakPolarHBondContact CA-O 3.27Å; C649-E690 WeakPolarHBondContact CB-O 3.42Å; C649-I691 HydrophobicContact CB-CB 4.47Å; C649-I691 HydrophobicContact CB-CG2 4.03Å; C649-L721 VanDerWaalsContact SG-CD2 3.59Å; C649-L721 VanDerWaalsContact SG-CG 3.57Å
650	A	92.9	Very high	88.3	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.8	172.6	0	0	0	0	0	111.3	P557 F558 L644 E690	P557-A650 HydrophobicContact CB-CB 4.12Å; P557-A650 HydrophobicContact CG-CB 4Å; F558-A650 HydrophobicContact CD1-CB 4.24Å; F558-A650 HydrophobicContact CE1-CB 3.59Å; F558-A650 HydrophobicContact CZ-CB 4.24Å; L644-A650 HydrophobicContact CD2-CB 3.97Å; A650-E690 PolarHBondContact N-O 3.44Å; A650-E690 PolarHBondContact O-N 3.08Å
651	L	92.6	Very high	88.2	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.4	175.9	-73.1	-179.2	0	0	0	110.9	F558 I635 K687 T688 L689 F722 T726 S729 Y731	F558-L651 VanDerWaalsContact CZ-O 3.29Å; F558-L651 WeakPolarHBondContact CZ-O 3.37Å; I635-L651 HydrophobicContact CG2-CD2 4.3Å; L651-K687 HydrophobicContact CB-CB 4.37Å; L651-K687 HydrophobicContact CD2-CB 4.23Å; L651-T688 CarbonylContact C-O 3.55Å; L651-T688 WeakPolarHBondContact CA-O 3.5Å; L651-L689 HydrophobicContact CD2-CB 4.02Å; L651-L689 HydrophobicContact CD2-CD1 3.75Å; L651-L689 HydrophobicContact CD2-CG 4.5Å; L651-L689 HydrophobicContact CG-CD1 4.42Å; L651-F722 HydrophobicContact CD1-CD2 4.08Å; L651-F722 HydrophobicContact CD1-CE2 3.53Å; L651-F722 HydrophobicContact CD1-CZ 3.98Å; L651-F722 HydrophobicContact CD2-CD2 3.99Å; L651-F722 HydrophobicContact CD2-CE2 3.74Å; L651-F722 HydrophobicContact CG-CD2 4.46Å; L651-F722 HydrophobicContact CG-CE2 4.22Å; L651-T726 HydrophobicContact CD1-CG2 4.42Å; L651-T726 VanDerWaalsContact CD1-OG1 3.28Å; L651-T726 WeakPolarHBondContact CD1-OG1 3.29Å; L651-S729 PolarHBondContact N-OG 2.67Å; L651-Y731 HydrophobicContact CB-CD2 4.42Å; L651-Y731 HydrophobicContact CB-CE2 4.41Å
652	V	92.1	Very high	88.2	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.4	-176.3	175.5	0	0	0	0	109.5	F558 E598 T688 E690	F558-V652 HydrophobicContact CD1-CG2 4.46Å; F558-V652 HydrophobicContact CE1-CG2 3.88Å; E598-V652 HydrophobicContact CG-CG1 3.8Å; V652-T688 PolarHBondContact N-O 3Å; V652-T688 WeakPolarHBondContact O-CB 3.14Å; V652-T688 PolarHBondContact O-N 3.3Å; V652-E690 HydrophobicContact CG2-CB 4.35Å; V652-E690 HydrophobicContact CG2-CG 3.82Å
653	A	90.7	Very high	88.5	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.025	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-75.4	148.8	174.3	0	0	0	0	0	111.5	A596 K597 E598 W658 Y731	A596-A653 PolarHBondContact O-N 3.44Å; K597-A653 CarbonylContact C-O 3.59Å; K597-A653 WeakPolarHBondContact CA-O 3.21Å; K597-A653 HydrophobicContact CG-CB 4.16Å; E598-A653 PolarHBondContact N-O 2.89Å; A653-W658 VanDerWaalsContact CB-O 3.29Å; A653-W658 WeakPolarHBondContact CB-O 3.31Å; A653-Y731 WeakPolarHBondContact CB-OH 2.88Å
654	S	89.1	Confident	88.5	Confident	25 Å²	25	32.6 Å²	32.6	18%	0.175	16%	0.158	C	C	.	.			trans	-56.4	155.6	167	76.4	0	0	0	0	110.7	Y656 G657 Q685	S654-Y656 PolarHBondContact O-N 3.37Å; S654-G657 PolarHBondContact O-N 2.82Å; S654-G657 VanDerWaalsContact O-N 3.13Å; S654-G657 WeakPolarHBondContact OG-CA 3.29Å; S654-G657 PolarHBondContact OG-N 2.79Å; S654-Q685 PolarHBondContact OG-OE1 3.17Å; S654-Q685 VanDerWaalsContact OG-OE1 3.13Å
655	Q	84.1	Confident	88.4	Confident	114 Å²	114	33 Å²	33	53%	0.533	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.6	-176.2	-174.7	179	-12.9	0	0	113.2
656	Y	82.2	Confident	88.1	Confident	186 Å²	186	32.7 Å²	32.7	73%	0.729	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-10.8	-178.8	-56.9	-75.4	0	0	0	114.1	S654	S654-Y656 PolarHBondContact O-N 3.37Å
657	G	83.7	Confident	87.7	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.01	15%	0.148	C	C	.	.	S	Bend	trans	-76.4	176.3	179.3	0	0	0	0	0	113.7	K597 S654	K597-G657 WeakPolarHBondContact CE-O 3.32Å; K597-G657 PolarHBondContact NZ-O 2.85Å; S654-G657 PolarHBondContact O-N 2.82Å; S654-G657 VanDerWaalsContact O-N 3.13Å; S654-G657 WeakPolarHBondContact OG-CA 3.29Å; S654-G657 PolarHBondContact OG-N 2.79Å
658	W	86.3	Confident	87.2	Confident	29 Å²	29	34.9 Å²	34.9	11%	0.11	17%	0.173	C	C	.	.			trans	-80.9	138.7	176.3	-66.3	-11	0	0	0	111.9	A653 M662 E663 M666 T679 Y682 Y731	A653-W658 VanDerWaalsContact CB-O 3.29Å; A653-W658 WeakPolarHBondContact CB-O 3.31Å; W658-M662 HydrophobicContact CB-CB 4.18Å; W658-M662 HydrophobicContact CB-CG 4.11Å; W658-M662 HydrophobicContact CD2-CG 4.35Å; W658-M662 HydrophobicContact CG-CB 4.47Å; W658-M662 HydrophobicContact CG-CG 3.85Å; W658-E663 HydrophobicContact CB-CB 4.3Å; W658-E663 HydrophobicContact CE3-CB 4.37Å; W658-E663 HydrophobicContact CE3-CG 4.24Å; W658-M666 HydrophobicContact CD2-CG 4.25Å; W658-M666 HydrophobicContact CE3-CB 4.14Å; W658-M666 HydrophobicContact CE3-CG 4.14Å; W658-M666 HydrophobicContact CH2-CB 3.64Å; W658-M666 HydrophobicContact CH2-CG 3.59Å; W658-M666 HydrophobicContact CH2-SD 4.12Å; W658-M666 HydrophobicContact CZ2-CB 4.32Å; W658-M666 HydrophobicContact CZ2-CE 4Å; W658-M666 HydrophobicContact CZ2-CG 3.75Å; W658-M666 HydrophobicContact CZ2-SD 4.03Å; W658-M666 HydrophobicContact CZ3-CB 3.55Å; W658-M666 HydrophobicContact CZ3-CG 3.82Å; W658-T679 HydrophobicContact CH2-CG2 4Å; W658-T679 HydrophobicContact CZ3-CG2 4.15Å; W658-Y682 VanDerWaalsContact CD2-CB 3.47Å; W658-Y682 HydrophobicContact CD2-CG 4.08Å; W658-Y682 AromaticContact CE2-CD2 3.78Å; W658-Y682 AromaticContact CE2-CG 3.72Å; W658-Y682 HydrophobicContact CG-CG 4.38Å; W658-Y682 HydrophobicContact CH2-CD2 4.48Å; W658-Y682 AromaticContact CZ2-CD2 3.74Å; W658-Y682 HydrophobicContact CZ2-CD2 3.74Å; W658-Y682 HydrophobicContact CZ2-CG 4.08Å; W658-Y682 AromaticContact NE1-CD2 3.85Å; W658-Y682 AromaticContact NE1-CG 3.76Å; W658-Y731 PolarHBondContact O-OH 2.65Å
659	S	88.8	Confident	86.6	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.021	18%	0.183	C	C	.	.			trans	-68.9	164.7	165.5	62.6	0	0	0	0	109.9	E578 N661 M662 E663	E578-S659 VanDerWaalsContact CD-OG 3.22Å; E578-S659 WeakPolarHBondContact OE1-CB 3.34Å; E578-S659 PolarHBondContact OE1-OG 3.15Å; E578-S659 PolarHBondContact OE2-OG 3.34Å; E578-S659 VanDerWaalsContact OE2-OG 3.08Å; S659-N661 VanDerWaalsContact C-N 3.25Å; S659-N661 PolarHBondContact O-N 3.28Å; S659-M662 PolarHBondContact O-N 2.91Å; S659-M662 VanDerWaalsContact OG-CB 3.28Å; S659-M662 WeakPolarHBondContact OG-CB 3.34Å; S659-M662 PolarHBondContact OG-N 3.25Å; S659-E663 WeakPolarHBondContact O-CB 3.35Å; S659-E663 PolarHBondContact O-N 2.63Å
660	G	87.3	Confident	85.1	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-41.1	173.9	0	0	0	0	0	112.5	E663 R664 G730 Y731	G660-E663 PolarHBondContact O-N 2.82Å; G660-R664 VanDerWaalsContact O-CB 3.32Å; G660-R664 WeakPolarHBondContact O-CB 3.19Å; G660-R664 PolarHBondContact O-N 3.41Å; G660-G730 CarbonylContact C-O 3.6Å; G660-G730 VanDerWaalsContact CA-O 3.27Å; G660-G730 WeakPolarHBondContact CA-O 3.5Å; G660-Y731 VanDerWaalsContact CA-CE1 3.46Å; G660-Y731 VanDerWaalsContact N-CZ 3.32Å; G660-Y731 PolarHBondContact N-OH 2.99Å
661	N	88.8	Confident	83.6	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-47.3	174.8	-177.7	62.7	0	0	0	112.9	A546 E578 S659 R664 I665	A546-N661 HydrophobicContact CB-CB 4.29Å; E578-N661 PolarHBondContact OE2-ND2 2.91Å; S659-N661 VanDerWaalsContact C-N 3.25Å; S659-N661 PolarHBondContact O-N 3.28Å; N661-R664 WeakPolarHBondContact O-CB 3.16Å; N661-R664 PolarHBondContact O-N 2.9Å; N661-R664 PolarHBondContact OD1-NH2 2.78Å; N661-I665 WeakPolarHBondContact ND2-CD1 3.48Å; N661-I665 WeakPolarHBondContact O-CD1 3.41Å; N661-I665 VanDerWaalsContact O-CG1 3.24Å; N661-I665 WeakPolarHBondContact O-CG1 3.08Å; N661-I665 PolarHBondContact O-N 3.18Å
662	M	86.9	Confident	82.1	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-41.3	176.9	-177.1	59.2	70.1	0	0	112.1	E578 Y579 W658 S659 R664 I665 M666	E578-M662 HydrophobicContact CB-CE 3.85Å; E578-M662 HydrophobicContact CG-CE 3.77Å; Y579-M662 HydrophobicContact CD1-CE 4.38Å; Y579-M662 HydrophobicContact CD2-CE 4.23Å; Y579-M662 HydrophobicContact CE1-CE 4.36Å; Y579-M662 HydrophobicContact CE1-SD 4.2Å; Y579-M662 HydrophobicContact CE2-CE 4.2Å; Y579-M662 HydrophobicContact CE2-SD 4.18Å; Y579-M662 HydrophobicContact CG-CE 4.32Å; W658-M662 HydrophobicContact CB-CB 4.18Å; W658-M662 HydrophobicContact CB-CG 4.11Å; W658-M662 HydrophobicContact CD2-CG 4.35Å; W658-M662 HydrophobicContact CG-CB 4.47Å; W658-M662 HydrophobicContact CG-CG 3.85Å; S659-M662 PolarHBondContact O-N 2.91Å; S659-M662 VanDerWaalsContact OG-CB 3.28Å; S659-M662 WeakPolarHBondContact OG-CB 3.34Å; S659-M662 PolarHBondContact OG-N 3.25Å; M662-R664 VanDerWaalsContact C-N 3.32Å; M662-R664 PolarHBondContact O-N 3.34Å; M662-I665 PolarHBondContact O-N 3.5Å; M662-M666 HydrophobicContact CG-CE 4.49Å; M662-M666 HydrophobicContact CG-CG 4.3Å; M662-M666 WeakPolarHBondContact O-CB 3.34Å; M662-M666 VanDerWaalsContact O-CG 3.27Å; M662-M666 WeakPolarHBondContact O-CG 3.21Å; M662-M666 PolarHBondContact O-N 3.17Å; M662-M666 HydrophobicContact SD-CE 3.65Å; M662-M666 HydrophobicContact SD-CG 3.99Å
663	E	87	Confident	80.3	Confident	9 Å²	9	59.9 Å²	59.9	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-61	-42.4	176.6	-164.2	-169.8	118.9	0	0	110.9	W658 S659 G660 K667 K687 Y731	W658-E663 HydrophobicContact CB-CB 4.3Å; W658-E663 HydrophobicContact CE3-CB 4.37Å; W658-E663 HydrophobicContact CE3-CG 4.24Å; S659-E663 WeakPolarHBondContact O-CB 3.35Å; S659-E663 PolarHBondContact O-N 2.63Å; G660-E663 PolarHBondContact O-N 2.82Å; E663-K667 HydrophobicContact CG-CD 4.31Å; E663-K667 WeakPolarHBondContact O-CB 3.25Å; E663-K667 VanDerWaalsContact O-CG 3.28Å; E663-K667 WeakPolarHBondContact O-CG 3.19Å; E663-K667 PolarHBondContact O-N 3.34Å; E663-K667 WeakPolarHBondContact OE1-CE 3.42Å; E663-K667 IonicContact OE1-NZ 3.99Å; E663-K667 PolarHBondContact OE1-NZ 3.22Å; E663-K687 WeakPolarHBondContact OE2-CE 3.38Å; E663-K687 IonicContact OE2-NZ 2.69Å; E663-K687 PolarHBondContact OE2-NZ 3.08Å; E663-Y731 WeakPolarHBondContact OE2-CD1 3.38Å; E663-Y731 WeakPolarHBondContact OE2-CE1 3.46Å
664	R	86.1	Confident	78.5	Confident	79 Å²	79	63.6 Å²	63.6	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-61.1	-45.5	173.8	179.1	-168.6	67.4	84.2	-2.1	112.4	G660 N661 M662 A668	G660-R664 VanDerWaalsContact O-CB 3.32Å; G660-R664 WeakPolarHBondContact O-CB 3.19Å; G660-R664 PolarHBondContact O-N 3.41Å; N661-R664 WeakPolarHBondContact O-CB 3.16Å; N661-R664 PolarHBondContact O-N 2.9Å; N661-R664 PolarHBondContact OD1-NH2 2.78Å; M662-R664 VanDerWaalsContact C-N 3.32Å; M662-R664 PolarHBondContact O-N 3.34Å; R664-A668 WeakPolarHBondContact O-CB 3.3Å; R664-A668 PolarHBondContact O-N 2.89Å; R664-A668 VanDerWaalsContact O-N 3.15Å
665	I	86.2	Confident	76.8	Confident	20 Å²	20	71.1 Å²	71.1	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-67.9	-45.8	-178.3	-64.9	158.5	0	0	0	110.9	P575 Y579 N661 M662 K667 A668 Q669	P575-I665 HydrophobicContact CB-CD1 3.96Å; P575-I665 HydrophobicContact CB-CG1 4.13Å; P575-I665 HydrophobicContact CB-CG2 4.24Å; Y579-I665 HydrophobicContact CE2-CG2 3.93Å; N661-I665 WeakPolarHBondContact ND2-CD1 3.48Å; N661-I665 WeakPolarHBondContact O-CD1 3.41Å; N661-I665 VanDerWaalsContact O-CG1 3.24Å; N661-I665 WeakPolarHBondContact O-CG1 3.08Å; N661-I665 PolarHBondContact O-N 3.18Å; M662-I665 PolarHBondContact O-N 3.5Å; I665-K667 PolarHBondContact O-N 3.15Å; I665-A668 PolarHBondContact O-N 3.39Å; I665-A668 VanDerWaalsContact O-N 3.15Å; I665-Q669 PolarHBondContact O-N 3.13Å
666	M	82.4	Confident	75.7	Confident	28 Å²	28	69.6 Å²	69.6	14%	0.138	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-44.5	177.7	-69.7	-73.7	-170.9	0	0	111.8	Y579 W658 M662 A668 Q669 Q672	Y579-M666 HydrophobicContact CE1-CE 3.68Å; Y579-M666 WeakPolarHBondContact OH-CE 3.33Å; Y579-M666 PolarHBondContact OH-SD 3.2Å; Y579-M666 VanDerWaalsContact OH-SD 3.42Å; W658-M666 HydrophobicContact CD2-CG 4.25Å; W658-M666 HydrophobicContact CE3-CB 4.14Å; W658-M666 HydrophobicContact CE3-CG 4.14Å; W658-M666 HydrophobicContact CH2-CB 3.64Å; W658-M666 HydrophobicContact CH2-CG 3.59Å; W658-M666 HydrophobicContact CH2-SD 4.12Å; W658-M666 HydrophobicContact CZ2-CB 4.32Å; W658-M666 HydrophobicContact CZ2-CE 4Å; W658-M666 HydrophobicContact CZ2-CG 3.75Å; W658-M666 HydrophobicContact CZ2-SD 4.03Å; W658-M666 HydrophobicContact CZ3-CB 3.55Å; W658-M666 HydrophobicContact CZ3-CG 3.82Å; M662-M666 HydrophobicContact CG-CE 4.49Å; M662-M666 HydrophobicContact CG-CG 4.3Å; M662-M666 WeakPolarHBondContact O-CB 3.34Å; M662-M666 VanDerWaalsContact O-CG 3.27Å; M662-M666 WeakPolarHBondContact O-CG 3.21Å; M662-M666 PolarHBondContact O-N 3.17Å; M662-M666 HydrophobicContact SD-CE 3.65Å; M662-M666 HydrophobicContact SD-CG 3.99Å; M666-A668 VanDerWaalsContact C-N 3.27Å; M666-A668 PolarHBondContact O-N 3.37Å; M666-Q669 WeakPolarHBondContact O-CB 3.35Å; M666-Q669 PolarHBondContact O-N 3Å; M666-Q672 PolarHBondContact SD-NE2 3.26Å; M666-Q672 VanDerWaalsContact SD-NE2 3.36Å
667	K	79.5	Confident	74.6	Confident	97 Å²	97	67.5 Å²	67.5	42%	0.422	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-26.2	176	-76.6	173.5	169	174.5	0	114.1	E663 I665 Q669	E663-K667 HydrophobicContact CG-CD 4.31Å; E663-K667 WeakPolarHBondContact O-CB 3.25Å; E663-K667 VanDerWaalsContact O-CG 3.28Å; E663-K667 WeakPolarHBondContact O-CG 3.19Å; E663-K667 PolarHBondContact O-N 3.34Å; E663-K667 WeakPolarHBondContact OE1-CE 3.42Å; E663-K667 IonicContact OE1-NZ 3.99Å; E663-K667 PolarHBondContact OE1-NZ 3.22Å; I665-K667 PolarHBondContact O-N 3.15Å; K667-Q669 VanDerWaalsContact C-N 3.34Å
668	A	80.9	Confident	73.6	Confident	79 Å²	79	69.8 Å²	69.8	65%	0.653	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.6	178	0	0	0	0	0	113.5	R664 I665 M666 A670	R664-A668 WeakPolarHBondContact O-CB 3.3Å; R664-A668 PolarHBondContact O-N 2.89Å; R664-A668 VanDerWaalsContact O-N 3.15Å; I665-A668 PolarHBondContact O-N 3.39Å; I665-A668 VanDerWaalsContact O-N 3.15Å; M666-A668 VanDerWaalsContact C-N 3.27Å; M666-A668 PolarHBondContact O-N 3.37Å; A668-A670 PolarHBondContact O-N 3.09Å
669	Q	78.4	Confident	72.7	Confident	91 Å²	91	69.6 Å²	69.6	43%	0.425	38%	0.384	S	S	.	.			trans	-84.8	91.8	-173.2	-168.3	179.7	15.8	0	0	111.9	I665 M666 K667 Y671 Q672	I665-Q669 PolarHBondContact O-N 3.13Å; M666-Q669 WeakPolarHBondContact O-CB 3.35Å; M666-Q669 PolarHBondContact O-N 3Å; K667-Q669 VanDerWaalsContact C-N 3.34Å; Q669-Y671 PolarHBondContact O-N 2.69Å; Q669-Q672 HydrophobicContact CB-CG 4.26Å; Q669-Q672 HydrophobicContact CG-CG 4.35Å; Q669-Q672 PolarHBondContact O-N 3.29Å
670	A	61.2	Low	71.6	Confident	97 Å²	97	74 Å²	74	80%	0.802	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-20.3	-174.6	0	0	0	0	0	116.5	A668	A668-A670 PolarHBondContact O-N 3.09Å
671	Y	61.1	Low	70.8	Confident	223 Å²	223	80.7 Å²	80.7	88%	0.875	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-6.6	176.6	-66	-71.2	0	0	0	114.5	Q669 T673	Q669-Y671 PolarHBondContact O-N 2.69Å; Y671-T673 PolarHBondContact O-N 2.89Å
672	Q	60.4	Low	69.9	Low	48 Å²	48	83.9 Å²	83.9	22%	0.224	45%	0.445	C	S	.	.	S	Bend	trans	-74.9	119.4	168.8	-64.7	-167.2	21.6	0	0	109.2	M666 Q669 G674 T679	M666-Q672 PolarHBondContact SD-NE2 3.26Å; M666-Q672 VanDerWaalsContact SD-NE2 3.36Å; Q669-Q672 HydrophobicContact CB-CG 4.26Å; Q669-Q672 HydrophobicContact CG-CG 4.35Å; Q669-Q672 PolarHBondContact O-N 3.29Å; Q672-G674 PolarHBondContact O-N 3.37Å; Q672-T679 PolarHBondContact OE1-OG1 3.37Å
673	T	55.5	Low	68.9	Low	110 Å²	110	85.2 Å²	85.2	68%	0.675	46%	0.456	S	S	*	.			trans	-65.3	127.9	169.7	53.8	0	0	0	0	108.5	Y671 K675 D676	Y671-T673 PolarHBondContact O-N 2.89Å; T673-K675 PolarHBondContact O-N 3.07Å; T673-D676 PolarHBondContact O-N 3.46Å
674	G	52.8	Low	68.1	Low	81 Å²	81	89 Å²	89	84%	0.835	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	27.3	-167.6	0	0	0	0	0	116.9	Q672	Q672-G674 PolarHBondContact O-N 3.37Å
675	K	53.3	Low	67.7	Low	183 Å²	183	87.2 Å²	87.2	80%	0.796	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.7	6.4	178.5	-65.8	-174.3	178.4	178	0	113.2	T673 I677	T673-K675 PolarHBondContact O-N 3.07Å; K675-I677 PolarHBondContact O-N 3.35Å
676	D	60.4	Low	67.5	Low	81 Å²	81	90.5 Å²	90.5	43%	0.433	49%	0.492	S	S	.	.			trans	-64.6	123.6	-177.4	-145.2	-10.9	0	0	0	111.3	T673 S678 T679 N680	T673-D676 PolarHBondContact O-N 3.46Å; D676-S678 PolarHBondContact O-N 3.3Å; D676-T679 PolarHBondContact O-N 3.03Å; D676-N680 PolarHBondContact O-N 3.46Å
677	I	59.9	Low	67.8	Low	142 Å²	142	90.8 Å²	90.8	73%	0.728	49%	0.492	S	S	*	.	H	α-helix	trans	-66.6	-32.5	-167.5	-60.6	173.4	0	0	0	110.4	K675 Y681	K675-I677 PolarHBondContact O-N 3.35Å; I677-Y681 VanDerWaalsContact O-CB 3.24Å; I677-Y681 WeakPolarHBondContact O-CB 3.43Å; I677-Y681 PolarHBondContact O-N 3.06Å
678	S	63.5	Low	68.4	Low	50 Å²	50	86.3 Å²	86.3	35%	0.35	47%	0.473	S	S	.	.	H	α-helix	trans	-58.7	-52.6	173.3	52	0	0	0	0	112.3	D676 Y681 Y682	D676-S678 PolarHBondContact O-N 3.3Å; S678-Y681 WeakPolarHBondContact O-CB 3.24Å; S678-Y681 PolarHBondContact O-N 2.71Å; S678-Y682 WeakPolarHBondContact O-CD2 3.45Å; S678-Y682 PolarHBondContact O-N 3.11Å
679	T	66.2	Low	69	Low	25 Å²	25	82.6 Å²	82.6	15%	0.153	44%	0.442	C	S	.	.	H	α-helix	trans	-64.5	-42.9	-177.6	-64.5	0	0	0	0	111.6	W658 Q672 D676 Y682 A683	W658-T679 HydrophobicContact CH2-CG2 4Å; W658-T679 HydrophobicContact CZ3-CG2 4.15Å; Q672-T679 PolarHBondContact OE1-OG1 3.37Å; D676-T679 PolarHBondContact O-N 3.03Å; T679-Y682 PolarHBondContact O-N 3.08Å; T679-A683 VanDerWaalsContact O-CB 3.31Å; T679-A683 WeakPolarHBondContact O-CB 3.43Å; T679-A683 PolarHBondContact O-N 3.07Å
680	N	65.6	Low	69.7	Low	94 Å²	94	78.9 Å²	78.9	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-65	-38.5	173.7	-78.7	-35.7	0	0	0	112.5	D676 S684	D676-N680 PolarHBondContact O-N 3.46Å; N680-S684 VanDerWaalsContact O-CB 3.29Å; N680-S684 WeakPolarHBondContact O-CB 3.37Å; N680-S684 PolarHBondContact O-N 3.28Å; N680-S684 VanDerWaalsContact O-N 3.07Å; N680-S684 PolarHBondContact O-OG 3.32Å
681	Y	70.2	Confident	71.2	Confident	145 Å²	145	74.3 Å²	74.3	57%	0.569	39%	0.387	S	S	*	.	H	α-helix	trans	-62.7	-45.9	175.9	176.7	-100.7	0	0	0	112.5	I677 S678 S684 Q685	I677-Y681 VanDerWaalsContact O-CB 3.24Å; I677-Y681 WeakPolarHBondContact O-CB 3.43Å; I677-Y681 PolarHBondContact O-N 3.06Å; S678-Y681 WeakPolarHBondContact O-CB 3.24Å; S678-Y681 PolarHBondContact O-N 2.71Å; Y681-S684 PolarHBondContact O-OG 3.17Å; Y681-Q685 WeakPolarHBondContact O-CG 3.17Å; Y681-Q685 PolarHBondContact O-N 3.19Å
682	Y	70.1	Confident	72.8	Confident	78 Å²	78	63.9 Å²	63.9	31%	0.306	35%	0.346	S	S	.	.	H	α-helix	trans	-73.2	-38.2	179.9	-71.6	-66.8	0	0	0	113.2	W658 S678 T679 S684 Q685	W658-Y682 VanDerWaalsContact CD2-CB 3.47Å; W658-Y682 HydrophobicContact CD2-CG 4.08Å; W658-Y682 AromaticContact CE2-CD2 3.78Å; W658-Y682 AromaticContact CE2-CG 3.72Å; W658-Y682 HydrophobicContact CG-CG 4.38Å; W658-Y682 HydrophobicContact CH2-CD2 4.48Å; W658-Y682 AromaticContact CZ2-CD2 3.74Å; W658-Y682 HydrophobicContact CZ2-CD2 3.74Å; W658-Y682 HydrophobicContact CZ2-CG 4.08Å; W658-Y682 AromaticContact NE1-CD2 3.85Å; W658-Y682 AromaticContact NE1-CG 3.76Å; S678-Y682 WeakPolarHBondContact O-CD2 3.45Å; S678-Y682 PolarHBondContact O-N 3.11Å; T679-Y682 PolarHBondContact O-N 3.08Å; Y682-S684 VanDerWaalsContact C-N 3.34Å; Y682-S684 PolarHBondContact O-N 2.9Å; Y682-Q685 PolarHBondContact O-N 2.97Å
683	A	67.3	Low	74.1	Confident	29 Å²	29	62.2 Å²	62.2	24%	0.24	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-38.3	176.4	0	0	0	0	0	112.5	T679 Q685 K687	T679-A683 VanDerWaalsContact O-CB 3.31Å; T679-A683 WeakPolarHBondContact O-CB 3.43Å; T679-A683 PolarHBondContact O-N 3.07Å; A683-Q685 VanDerWaalsContact C-N 3.32Å; A683-Q685 PolarHBondContact O-N 2.86Å; A683-K687 PolarHBondContact O-NZ 2.94Å
684	S	69.4	Low	75.7	Confident	89 Å²	89	64 Å²	64	62%	0.622	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-1	178.7	62.3	0	0	0	0	115.1	N680 Y681 Y682 K686	N680-S684 VanDerWaalsContact O-CB 3.29Å; N680-S684 WeakPolarHBondContact O-CB 3.37Å; N680-S684 PolarHBondContact O-N 3.28Å; N680-S684 VanDerWaalsContact O-N 3.07Å; N680-S684 PolarHBondContact O-OG 3.32Å; Y681-S684 PolarHBondContact O-OG 3.17Å; Y682-S684 VanDerWaalsContact C-N 3.34Å; Y682-S684 PolarHBondContact O-N 2.9Å; S684-K686 PolarHBondContact O-N 2.78Å
685	Q	78	Confident	77.6	Confident	42 Å²	42	62.2 Å²	62.2	20%	0.196	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.3	122.1	170.4	-69.9	-166.6	4	0	0	110	S654 Y681 Y682 A683 K687	S654-Q685 PolarHBondContact OG-OE1 3.17Å; S654-Q685 VanDerWaalsContact OG-OE1 3.13Å; Y681-Q685 WeakPolarHBondContact O-CG 3.17Å; Y681-Q685 PolarHBondContact O-N 3.19Å; Y682-Q685 PolarHBondContact O-N 2.97Å; A683-Q685 VanDerWaalsContact C-N 3.32Å; A683-Q685 PolarHBondContact O-N 2.86Å; Q685-K687 VanDerWaalsContact O-CD 3.29Å; Q685-K687 WeakPolarHBondContact O-CD 2.97Å; Q685-K687 WeakPolarHBondContact O-CE 3.27Å; Q685-K687 PolarHBondContact O-NZ 3.24Å
686	K	81.6	Confident	79.4	Confident	89 Å²	89	57.8 Å²	57.8	39%	0.387	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-63.6	143.3	169.6	-64.2	179.2	178.9	177	0	109	D633 E636 S684	D633-K686 WeakPolarHBondContact O-CE 3.24Å; D633-K686 IonicContact OD1-NZ 3.03Å; D633-K686 PolarHBondContact OD1-NZ 2.78Å; E636-K686 HydrophobicContact CB-CB 4.09Å; S684-K686 PolarHBondContact O-N 2.78Å
687	K	89	Confident	80.8	Confident	34 Å²	34	57.9 Å²	57.9	15%	0.148	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	159.1	-174.4	-72	88.8	-176.9	176.6	0	111.7	I635 E636 L651 E663 A683 Q685 Y731	I635-K687 WeakPolarHBondContact CA-O 3.21Å; E636-K687 PolarHBondContact N-O 2.94Å; L651-K687 HydrophobicContact CB-CB 4.37Å; L651-K687 HydrophobicContact CD2-CB 4.23Å; E663-K687 WeakPolarHBondContact OE2-CE 3.38Å; E663-K687 IonicContact OE2-NZ 2.69Å; E663-K687 PolarHBondContact OE2-NZ 3.08Å; A683-K687 PolarHBondContact O-NZ 2.94Å; Q685-K687 VanDerWaalsContact O-CD 3.29Å; Q685-K687 WeakPolarHBondContact O-CD 2.97Å; Q685-K687 WeakPolarHBondContact O-CE 3.27Å; Q685-K687 PolarHBondContact O-NZ 3.24Å; K687-Y731 HydrophobicContact CD-CE1 4.4Å; K687-Y731 VanDerWaalsContact CE-CE1 3.46Å; K687-Y731 HydrophobicContact CG-CE1 4.44Å; K687-Y731 HydrophobicContact CG-CE2 4.48Å
688	T	92.1	Very high	82.3	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.012	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	126.1	175.7	-62.9	0	0	0	0	110.2	E598 K637 V639 L651 V652	E598-T688 WeakPolarHBondContact OE1-CB 3.37Å; E598-T688 PolarHBondContact OE1-OG1 2.93Å; K637-T688 WeakPolarHBondContact CE-OG1 3.27Å; K637-T688 HydrophobicContact CG-CG2 3.94Å; V639-T688 HydrophobicContact CG2-CG2 3.91Å; L651-T688 CarbonylContact C-O 3.55Å; L651-T688 WeakPolarHBondContact CA-O 3.5Å; V652-T688 PolarHBondContact N-O 3Å; V652-T688 WeakPolarHBondContact O-CB 3.14Å; V652-T688 PolarHBondContact O-N 3.3Å
689	L	93.7	Very high	83.6	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	108.1	173.5	-176.3	66.6	0	0	0	110.4	L626 L631 I635 K637 A638 V639 C649 L651 I691	L626-L689 HydrophobicContact CD1-CD2 4.38Å; L631-L689 HydrophobicContact CD1-CD2 3.54Å; I635-L689 HydrophobicContact CD1-CB 4.09Å; I635-L689 HydrophobicContact CD1-CD2 4.32Å; I635-L689 HydrophobicContact CG2-CB 4.15Å; K637-L689 PolarHBondContact O-N 2.96Å; A638-L689 CarbonylContact C-O 3.53Å; A638-L689 WeakPolarHBondContact CA-O 3.46Å; A638-L689 HydrophobicContact CB-CB 4.48Å; V639-L689 PolarHBondContact N-O 2.85Å; C649-L689 HydrophobicContact CB-CD1 3.99Å; L651-L689 HydrophobicContact CD2-CB 4.02Å; L651-L689 HydrophobicContact CD2-CD1 3.75Å; L651-L689 HydrophobicContact CD2-CG 4.5Å; L651-L689 HydrophobicContact CG-CD1 4.42Å; L689-I691 HydrophobicContact CD2-CG2 4.16Å; L689-I691 HydrophobicContact CG-CG2 3.99Å
690	E	92.9	Very high	84.7	Confident	14 Å²	14	58 Å²	58	7%	0.065	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124	169.8	-77	-160.2	-167.6	0	0	110.1	V639 S641 R643 C649 A650 V652	V639-E690 HydrophobicContact CG2-CG 3.94Å; V639-E690 WeakPolarHBondContact O-CA 3.47Å; S641-E690 WeakPolarHBondContact CA-OE2 3.46Å; S641-E690 VanDerWaalsContact CB-OE2 3.31Å; S641-E690 WeakPolarHBondContact CB-OE2 3.42Å; S641-E690 PolarHBondContact OG-OE2 3.43Å; R643-E690 WeakPolarHBondContact CG-OE2 3.45Å; R643-E690 IonicContact CZ-OE1 3.98Å; R643-E690 IonicContact CZ-OE2 2.59Å; R643-E690 VanDerWaalsContact NE-CD 3.31Å; R643-E690 IonicContact NE-OE1 2.82Å; R643-E690 PolarHBondContact NE-OE1 2.9Å; R643-E690 IonicContact NE-OE2 2.79Å; R643-E690 PolarHBondContact NE-OE2 2.79Å; R643-E690 IonicContact NH2-OE1 3.27Å; R643-E690 PolarHBondContact NH2-OE1 3.25Å; C649-E690 CarbonylContact C-O 3.59Å; C649-E690 WeakPolarHBondContact CA-O 3.27Å; C649-E690 WeakPolarHBondContact CB-O 3.42Å; A650-E690 PolarHBondContact N-O 3.44Å; A650-E690 PolarHBondContact O-N 3.08Å; V652-E690 HydrophobicContact CG2-CB 4.35Å; V652-E690 HydrophobicContact CG2-CG 3.82Å
691	I	93.3	Very high	85.8	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	147.2	178.4	68.2	174.9	0	0	0	112.3	L622 T623 L626 V639 L640 S641 C649 L689 P693 V698	L622-I691 HydrophobicContact CD2-CD1 4.06Å; L622-I691 HydrophobicContact CG-CD1 4.47Å; T623-I691 HydrophobicContact CG2-CD1 3.85Å; L626-I691 HydrophobicContact CD1-CD1 4.29Å; L626-I691 HydrophobicContact CD1-CG2 4.19Å; V639-I691 PolarHBondContact O-N 3.08Å; L640-I691 HydrophobicContact CD2-CD1 3.88Å; L640-I691 HydrophobicContact CD2-CG1 3.6Å; S641-I691 WeakPolarHBondContact CB-O 3.49Å; S641-I691 PolarHBondContact N-O 2.75Å; C649-I691 HydrophobicContact CB-CB 4.47Å; C649-I691 HydrophobicContact CB-CG2 4.03Å; L689-I691 HydrophobicContact CD2-CG2 4.16Å; L689-I691 HydrophobicContact CG-CG2 3.99Å; I691-P693 WeakPolarHBondContact O-CD 3.45Å; I691-V698 HydrophobicContact CB-CG1 4.33Å; I691-V698 HydrophobicContact CD1-CG1 4.06Å; I691-V698 HydrophobicContact CG1-CG1 4.42Å
692	N	93	Very high	86.7	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.239	C	C	.	.			trans	-97	103.4	-178.5	-179.4	-3.6	0	0	0	111.3	L644 T645 S647 P648 K694 H695 V698	L644-N692 HydrophobicContact CB-CB 4.07Å; L644-N692 HydrophobicContact CD1-CB 4.04Å; T645-N692 VanDerWaalsContact C-ND2 3.34Å; T645-N692 PolarHBondContact O-ND2 3.04Å; S647-N692 VanDerWaalsContact O-CB 3.27Å; S647-N692 WeakPolarHBondContact O-CB 3.46Å; S647-N692 PolarHBondContact O-ND2 3.07Å; P648-N692 VanDerWaalsContact O-CB 3.29Å; P648-N692 WeakPolarHBondContact O-CB 3.2Å; P648-N692 PolarHBondContact O-N 3.23Å; N692-K694 PolarHBondContact O-N 3.22Å; N692-K694 WeakPolarHBondContact OD1-CB 3.35Å; N692-K694 PolarHBondContact OD1-N 3.17Å; N692-K694 VanDerWaalsContact OD1-N 3.12Å; N692-H695 HydrophobicContact CB-CB 4.14Å; N692-H695 WeakPolarHBondContact O-CB 3.42Å; N692-H695 PolarHBondContact O-N 2.97Å; N692-V698 WeakPolarHBondContact O-CB 3.41Å; N692-V698 WeakPolarHBondContact O-CG2 3.32Å
693	P	89.6	Confident	87.7	Confident	12 Å²	12	47.9 Å²	47.9	8%	0.078	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.6	-175.7	31.1	-38.8	0	0	0	113.7	L615 F619 L640 I691 K699	L615-P693 HydrophobicContact CD1-CG 4.42Å; L615-P693 HydrophobicContact CD2-CB 4.46Å; F619-P693 HydrophobicContact CD1-CB 4.46Å; F619-P693 HydrophobicContact CD2-CB 3.91Å; F619-P693 HydrophobicContact CE1-CB 4.21Å; F619-P693 HydrophobicContact CE2-CB 3.62Å; F619-P693 HydrophobicContact CG-CB 4.33Å; F619-P693 HydrophobicContact CZ-CB 3.78Å; L640-P693 HydrophobicContact CD1-CB 4.15Å; L640-P693 HydrophobicContact CD1-CG 4.1Å; L640-P693 HydrophobicContact CD2-CB 4.14Å; L640-P693 HydrophobicContact CD2-CG 4.36Å; I691-P693 WeakPolarHBondContact O-CD 3.45Å; P693-K699 WeakPolarHBondContact O-CE 3.32Å
694	K	88.1	Confident	88.6	Confident	149 Å²	149	51.9 Å²	51.9	65%	0.648	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-17.8	176.5	-62.3	177.1	-177.3	172.2	0	112.7	N692	N692-K694 PolarHBondContact O-N 3.22Å; N692-K694 WeakPolarHBondContact OD1-CB 3.35Å; N692-K694 PolarHBondContact OD1-N 3.17Å; N692-K694 VanDerWaalsContact OD1-N 3.12Å
695	H	92.9	Very high	89.6	Confident	43 Å²	43	48.2 Å²	48.2	20%	0.199	23%	0.23	C	C	.	.	S	Bend	trans	-74.1	135.4	-173.9	-167.1	-97.7	0	0	0	111.8	N646 N692 L697 V698 K699	N646-H695 PolarHBondContact O-CD2 3.39Å; N692-H695 HydrophobicContact CB-CB 4.14Å; N692-H695 WeakPolarHBondContact O-CB 3.42Å; N692-H695 PolarHBondContact O-N 2.97Å; H695-L697 VanDerWaalsContact C-N 3.33Å; H695-L697 PolarHBondContact ND1-N 3.14Å; H695-L697 PolarHBondContact O-N 3.2Å; H695-V698 HydrophobicContact CB-CB 4.44Å; H695-V698 HydrophobicContact CB-CG2 4.04Å; H695-V698 PolarHBondContact O-N 2.88Å; H695-V698 VanDerWaalsContact O-N 3.1Å; H695-K699 PolarHBondContact O-N 3.37Å
696	P	91.5	Very high	90	Very high	90 Å²	90	50.9 Å²	50.9	58%	0.584	25%	0.246	S	C	*	.	H	α-helix	trans	-54.9	-42.9	-177	-28.7	36.1	0	0	0	114.2	V698 K699 Q700	P696-V698 VanDerWaalsContact C-N 3.35Å; P696-V698 PolarHBondContact O-N 3.12Å; P696-K699 PolarHBondContact O-N 3.08Å; P696-Q700 PolarHBondContact O-N 2.94Å
697	L	89.3	Confident	90.4	Very high	83 Å²	83	50.9 Å²	50.9	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-40.5	178.3	-61.3	177.6	0	0	0	112.4	H695 K699 Q700 M701 L721	H695-L697 VanDerWaalsContact C-N 3.33Å; H695-L697 PolarHBondContact ND1-N 3.14Å; H695-L697 PolarHBondContact O-N 3.2Å; L697-K699 VanDerWaalsContact C-N 3.3Å; L697-K699 PolarHBondContact O-N 2.77Å; L697-Q700 PolarHBondContact O-N 3.35Å; L697-M701 WeakPolarHBondContact O-CB 3.34Å; L697-M701 WeakPolarHBondContact O-CG 3.37Å; L697-M701 PolarHBondContact O-N 3.33Å; L697-L721 HydrophobicContact CD1-CD1 4.44Å
698	V	91.2	Very high	90.3	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-69.4	-32.4	-177.8	-177.1	0	0	0	0	110.8	F619 L622 P648 I691 N692 H695 P696 L702	F619-V698 HydrophobicContact CD1-CG1 4.28Å; F619-V698 HydrophobicContact CE1-CG1 3.96Å; L622-V698 HydrophobicContact CD2-CG1 3.96Å; P648-V698 HydrophobicContact CB-CG2 4.32Å; P648-V698 WeakPolarHBondContact O-CG2 3.45Å; I691-V698 HydrophobicContact CB-CG1 4.33Å; I691-V698 HydrophobicContact CD1-CG1 4.06Å; I691-V698 HydrophobicContact CG1-CG1 4.42Å; N692-V698 WeakPolarHBondContact O-CB 3.41Å; N692-V698 WeakPolarHBondContact O-CG2 3.32Å; H695-V698 HydrophobicContact CB-CB 4.44Å; H695-V698 HydrophobicContact CB-CG2 4.04Å; H695-V698 PolarHBondContact O-N 2.88Å; H695-V698 VanDerWaalsContact O-N 3.1Å; P696-V698 VanDerWaalsContact C-N 3.35Å; P696-V698 PolarHBondContact O-N 3.12Å; V698-L702 PolarHBondContact O-N 2.77Å; V698-L702 VanDerWaalsContact O-N 3.11Å
699	K	90.8	Very high	89.8	Confident	99 Å²	99	55.8 Å²	55.8	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-69.6	-42.4	171.4	-66.3	-173.3	174.2	-164.3	0	112.8	F619 P693 H695 P696 L697 M701 L702 N703	F619-K699 HydrophobicContact CZ-CG 4.22Å; P693-K699 WeakPolarHBondContact O-CE 3.32Å; H695-K699 PolarHBondContact O-N 3.37Å; P696-K699 PolarHBondContact O-N 3.08Å; L697-K699 VanDerWaalsContact C-N 3.3Å; L697-K699 PolarHBondContact O-N 2.77Å; K699-M701 VanDerWaalsContact C-N 3.32Å; K699-L702 PolarHBondContact O-N 3.45Å; K699-N703 VanDerWaalsContact O-CG 3.3Å; K699-N703 PolarHBondContact O-N 2.69Å; K699-N703 PolarHBondContact O-ND2 3Å
700	Q	89.8	Confident	89.3	Confident	117 Å²	117	62.1 Å²	62.1	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-70.1	-30.6	177	-65.2	-66.1	19.6	0	0	112.5	P696 L697 N703 R704	P696-Q700 PolarHBondContact O-N 2.94Å; L697-Q700 PolarHBondContact O-N 3.35Å; Q700-N703 PolarHBondContact O-N 3.05Å; Q700-N703 PolarHBondContact OE1-ND2 3.4Å; Q700-R704 PolarHBondContact O-N 2.76Å
701	M	87.4	Confident	88.7	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.02	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-48.1	168.7	-70.5	-92.7	-67.1	0	0	111.3	L622 W625 L626 L697 K699 N703 R704 V705 L717 A718	L622-M701 HydrophobicContact CD1-CB 4.07Å; L622-M701 HydrophobicContact CD1-CE 4.45Å; L622-M701 HydrophobicContact CD2-CB 4.14Å; W625-M701 HydrophobicContact CZ3-CE 4.22Å; L626-M701 HydrophobicContact CD2-CE 4.13Å; L697-M701 WeakPolarHBondContact O-CB 3.34Å; L697-M701 WeakPolarHBondContact O-CG 3.37Å; L697-M701 PolarHBondContact O-N 3.33Å; K699-M701 VanDerWaalsContact C-N 3.32Å; M701-N703 VanDerWaalsContact C-N 3.33Å; M701-N703 PolarHBondContact O-N 3.27Å; M701-R704 PolarHBondContact O-N 2.91Å; M701-V705 WeakPolarHBondContact O-CB 3.38Å; M701-V705 WeakPolarHBondContact O-CG2 3.35Å; M701-V705 PolarHBondContact O-N 2.9Å; M701-L717 HydrophobicContact CG-CD2 4.45Å; M701-L717 HydrophobicContact SD-CB 4.35Å; M701-L717 HydrophobicContact SD-CD2 3.82Å; M701-L717 HydrophobicContact SD-CG 3.96Å; M701-A718 HydrophobicContact CE-CB 3.69Å
702	L	90	Very high	88.1	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.047	35%	0.354	C	S	.	.	H	α-helix	trans	-58.4	-44.1	174.6	-179.8	65	0	0	0	111.5	E618 F619 L622 V698 K699 R704 N706	E618-L702 HydrophobicContact CG-CD2 4.28Å; F619-L702 HydrophobicContact CD1-CB 4.41Å; F619-L702 HydrophobicContact CD1-CD2 3.89Å; F619-L702 HydrophobicContact CD2-CD2 4.35Å; F619-L702 HydrophobicContact CE1-CB 4.18Å; F619-L702 HydrophobicContact CE1-CD2 3.76Å; F619-L702 HydrophobicContact CE2-CD2 4.23Å; F619-L702 HydrophobicContact CG-CD2 4.18Å; F619-L702 HydrophobicContact CZ-CD2 3.94Å; L622-L702 HydrophobicContact CB-CD1 3.82Å; L622-L702 HydrophobicContact CD2-CB 4.21Å; V698-L702 PolarHBondContact O-N 2.77Å; V698-L702 VanDerWaalsContact O-N 3.11Å; K699-L702 PolarHBondContact O-N 3.45Å; L702-R704 PolarHBondContact O-N 2.68Å; L702-N706 VanDerWaalsContact O-CB 3.3Å; L702-N706 WeakPolarHBondContact O-CB 3.38Å; L702-N706 PolarHBondContact O-N 3.46Å; L702-N706 PolarHBondContact O-ND2 3.5Å
703	N	90.4	Very high	87.4	Confident	91 Å²	91	72 Å²	72	49%	0.487	38%	0.377	S	S	.	.	H	α-helix	trans	-61	-43.8	176.9	-68.8	-19.5	0	0	0	112.6	K699 Q700 M701 A707	K699-N703 VanDerWaalsContact O-CG 3.3Å; K699-N703 PolarHBondContact O-N 2.69Å; K699-N703 PolarHBondContact O-ND2 3Å; Q700-N703 PolarHBondContact O-N 3.05Å; Q700-N703 PolarHBondContact OE1-ND2 3.4Å; M701-N703 VanDerWaalsContact C-N 3.33Å; M701-N703 PolarHBondContact O-N 3.27Å; N703-A707 WeakPolarHBondContact O-CB 3.34Å; N703-A707 PolarHBondContact O-N 3.36Å
704	R	87.8	Confident	87.1	Confident	113 Å²	113	71.5 Å²	71.5	43%	0.426	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-52.2	177	-80.9	-177	172.4	-106	3.8	111.5	Q700 M701 L702 N706 A707 D708 D711 A714	Q700-R704 PolarHBondContact O-N 2.76Å; M701-R704 PolarHBondContact O-N 2.91Å; L702-R704 PolarHBondContact O-N 2.68Å; R704-N706 PolarHBondContact O-N 3.4Å; R704-A707 WeakPolarHBondContact O-CA 3.32Å; R704-A707 WeakPolarHBondContact O-CB 3.3Å; R704-A707 PolarHBondContact O-N 2.81Å; R704-D708 PolarHBondContact O-N 2.8Å; R704-D711 WeakPolarHBondContact CD-OD2 3.44Å; R704-D711 IonicContact CZ-OD2 2.72Å; R704-D711 IonicContact NE-OD2 3.7Å; R704-D711 IonicContact NH1-OD1 3.33Å; R704-D711 IonicContact NH1-OD2 2.7Å; R704-D711 PolarHBondContact NH1-OD2 3.13Å; R704-A714 HydrophobicContact CB-CB 4.28Å
705	V	88.4	Confident	86.9	Confident	12 Å²	12	66 Å²	66	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-60.8	-31.2	-178.9	172.1	0	0	0	0	112.6	L622 W625 M701 D708	L622-V705 HydrophobicContact CD1-CB 4.46Å; L622-V705 HydrophobicContact CD1-CG2 3.93Å; W625-V705 HydrophobicContact CB-CG1 3.75Å; W625-V705 HydrophobicContact CD2-CB 4.46Å; W625-V705 HydrophobicContact CD2-CG1 3.96Å; W625-V705 HydrophobicContact CD2-CG2 3.57Å; W625-V705 HydrophobicContact CE3-CG2 3.61Å; W625-V705 HydrophobicContact CG-CG1 3.58Å; W625-V705 HydrophobicContact CG-CG2 4.13Å; W625-V705 HydrophobicContact CH2-CG2 4.06Å; W625-V705 HydrophobicContact CZ2-CG2 4.02Å; W625-V705 HydrophobicContact CZ3-CG2 3.86Å; M701-V705 WeakPolarHBondContact O-CB 3.38Å; M701-V705 WeakPolarHBondContact O-CG2 3.35Å; M701-V705 PolarHBondContact O-N 2.9Å; V705-D708 WeakPolarHBondContact CA-O 2.88Å
706	N	88.1	Confident	86.4	Confident	98 Å²	98	66.2 Å²	66.2	52%	0.524	36%	0.356	S	S	.	.	H	α-helix	trans	-77.8	-17.9	173.8	-72.3	-18.3	0	0	0	114	L702 R704	L702-N706 VanDerWaalsContact O-CB 3.3Å; L702-N706 WeakPolarHBondContact O-CB 3.38Å; L702-N706 PolarHBondContact O-N 3.46Å; L702-N706 PolarHBondContact O-ND2 3.5Å; R704-N706 PolarHBondContact O-N 3.4Å
707	A	89.7	Confident	86.1	Confident	90 Å²	90	64.7 Å²	64.7	74%	0.744	34%	0.343	S	S	*	.	H	α-helix	trans	-93.5	-43.3	176.8	0	0	0	0	0	111.8	N703 R704	N703-A707 WeakPolarHBondContact O-CB 3.34Å; N703-A707 PolarHBondContact O-N 3.36Å; R704-A707 WeakPolarHBondContact O-CA 3.32Å; R704-A707 WeakPolarHBondContact O-CB 3.3Å; R704-A707 PolarHBondContact O-N 2.81Å
708	D	86.4	Confident	86.1	Confident	88 Å²	88	60.8 Å²	60.8	47%	0.471	32%	0.322	S	S	.	.			trans	-146	130.2	170	-170.7	-5.8	0	0	0	110.1	R704 V705 E710 D711	R704-D708 PolarHBondContact O-N 2.8Å; V705-D708 WeakPolarHBondContact CA-O 2.88Å; D708-E710 PolarHBondContact OD1-N 3.42Å; D708-D711 HydrophobicContact CB-CB 4.36Å
709	S	81.8	Confident	86	Confident	50 Å²	50	61.3 Å²	61.3	35%	0.35	33%	0.326	S	S	.	.	S	Bend	trans	-91.6	-2.7	179.3	81	0	0	0	0	113.9	W625 K629	W625-S709 PolarHBondContact NE1-O 3.42Å; K629-S709 PolarHBondContact NZ-O 3.4Å; K629-S709 PolarHBondContact NZ-OG 3.14Å
710	E	84.3	Confident	85.9	Confident	134 Å²	134	57.4 Å²	57.4	63%	0.626	31%	0.31	S	S	*	.	S	Bend	trans	-113.5	10.7	175.6	-51.6	-60.9	167	0	0	112.7	K629 D708 Q712	K629-E710 IonicContact NZ-OE1 3.5Å; K629-E710 PolarHBondContact NZ-OE1 2.9Å; K629-E710 IonicContact NZ-OE2 3.98Å; K629-E710 PolarHBondContact NZ-OE2 3.04Å; D708-E710 PolarHBondContact OD1-N 3.42Å; E710-Q712 PolarHBondContact O-N 3.11Å
711	D	80.3	Confident	85.9	Confident	27 Å²	27	52.8 Å²	52.8	14%	0.144	29%	0.289	C	S	.	.			trans	-59	104.6	176.5	173.8	16.2	0	0	0	111	R704 D708 T713 A714 S715	R704-D711 WeakPolarHBondContact CD-OD2 3.44Å; R704-D711 IonicContact CZ-OD2 2.72Å; R704-D711 IonicContact NE-OD2 3.7Å; R704-D711 IonicContact NH1-OD1 3.33Å; R704-D711 IonicContact NH1-OD2 2.7Å; R704-D711 PolarHBondContact NH1-OD2 3.13Å; D708-D711 HydrophobicContact CB-CB 4.36Å; D711-T713 PolarHBondContact O-N 3.09Å; D711-T713 WeakPolarHBondContact OD1-CA 3.47Å; D711-T713 WeakPolarHBondContact OD1-CB 3.44Å; D711-T713 PolarHBondContact OD1-N 2.95Å; D711-T713 PolarHBondContact OD1-OG1 3.48Å; D711-A714 HydrophobicContact CB-CB 3.97Å; D711-A714 WeakPolarHBondContact O-CA 3.48Å; D711-A714 WeakPolarHBondContact O-CB 3.02Å; D711-A714 PolarHBondContact O-N 3.19Å; D711-A714 PolarHBondContact OD1-N 2.99Å; D711-A714 WeakPolarHBondContact OD2-CB 3.36Å; D711-A714 PolarHBondContact OD2-N 3.38Å; D711-S715 PolarHBondContact O-N 3.21Å
712	Q	79	Confident	86.2	Confident	119 Å²	119	53.7 Å²	53.7	56%	0.556	29%	0.293	S	S	*	.	H	α-helix	trans	-55.2	-35.3	177.8	-177.1	59.5	39.7	0	0	111.7	E710 A714 S715 D716	E710-Q712 PolarHBondContact O-N 3.11Å; Q712-A714 VanDerWaalsContact C-N 3.35Å; Q712-A714 PolarHBondContact O-N 3.2Å; Q712-S715 WeakPolarHBondContact O-CB 3.44Å; Q712-S715 PolarHBondContact O-N 3.05Å; Q712-D716 PolarHBondContact NE2-OD2 2.65Å; Q712-D716 PolarHBondContact O-N 2.94Å
713	T	79.7	Confident	86.2	Confident	82 Å²	82	54 Å²	54	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-40.9	175.9	-21.6	0	0	0	0	111.7	D711 L717	D711-T713 PolarHBondContact O-N 3.09Å; D711-T713 WeakPolarHBondContact OD1-CA 3.47Å; D711-T713 WeakPolarHBondContact OD1-CB 3.44Å; D711-T713 PolarHBondContact OD1-N 2.95Å; D711-T713 PolarHBondContact OD1-OG1 3.48Å; T713-L717 WeakPolarHBondContact O-CB 3.37Å; T713-L717 PolarHBondContact O-N 2.98Å
714	A	82.3	Confident	86.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.2	-37.5	175.7	0	0	0	0	0	111	W625 R704 D711 Q712 A718	W625-A714 HydrophobicContact CH2-CB 4.11Å; W625-A714 HydrophobicContact CZ2-CB 4.28Å; R704-A714 HydrophobicContact CB-CB 4.28Å; D711-A714 HydrophobicContact CB-CB 3.97Å; D711-A714 WeakPolarHBondContact O-CA 3.48Å; D711-A714 WeakPolarHBondContact O-CB 3.02Å; D711-A714 PolarHBondContact O-N 3.19Å; D711-A714 PolarHBondContact OD1-N 2.99Å; D711-A714 WeakPolarHBondContact OD2-CB 3.36Å; D711-A714 PolarHBondContact OD2-N 3.38Å; Q712-A714 VanDerWaalsContact C-N 3.35Å; Q712-A714 PolarHBondContact O-N 3.2Å; A714-A718 VanDerWaalsContact O-CB 3.31Å; A714-A718 WeakPolarHBondContact O-CB 3.25Å; A714-A718 PolarHBondContact O-N 3.05Å
715	S	85.1	Confident	86.3	Confident	35 Å²	35	47.1 Å²	47.1	25%	0.245	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-53.9	175.8	-163.4	0	0	0	0	111.9	D711 Q712 L717 A718 V719	D711-S715 PolarHBondContact O-N 3.21Å; Q712-S715 WeakPolarHBondContact O-CB 3.44Å; Q712-S715 PolarHBondContact O-N 3.05Å; S715-L717 VanDerWaalsContact C-N 3.34Å; S715-L717 PolarHBondContact O-N 2.95Å; S715-A718 WeakPolarHBondContact O-CB 3.39Å; S715-A718 PolarHBondContact O-N 2.81Å; S715-A718 VanDerWaalsContact O-N 3.15Å; S715-V719 WeakPolarHBondContact O-CG2 3.46Å; S715-V719 PolarHBondContact O-N 2.89Å
716	D	82.1	Confident	86.4	Confident	46 Å²	46	47 Å²	47	25%	0.246	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-39.6	176.8	-82.9	-58	0	0	0	112.1	Q712 A718 V719 V720	Q712-D716 PolarHBondContact NE2-OD2 2.65Å; Q712-D716 PolarHBondContact O-N 2.94Å; D716-A718 PolarHBondContact O-N 2.8Å; D716-V719 PolarHBondContact O-N 2.65Å; D716-V720 PolarHBondContact O-N 2.79Å
717	L	85.6	Confident	86.5	Confident	58 Å²	58	46.1 Å²	46.1	30%	0.304	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-39.7	174.3	-176.3	61.7	0	0	0	112.1	M701 T713 S715 V719 L721 M746	M701-L717 HydrophobicContact CG-CD2 4.45Å; M701-L717 HydrophobicContact SD-CB 4.35Å; M701-L717 HydrophobicContact SD-CD2 3.82Å; M701-L717 HydrophobicContact SD-CG 3.96Å; T713-L717 WeakPolarHBondContact O-CB 3.37Å; T713-L717 PolarHBondContact O-N 2.98Å; S715-L717 VanDerWaalsContact C-N 3.34Å; S715-L717 PolarHBondContact O-N 2.95Å; L717-V719 VanDerWaalsContact C-N 3.34Å; L717-L721 WeakPolarHBondContact O-CB 3.21Å; L717-L721 PolarHBondContact O-N 2.96Å; L717-M746 HydrophobicContact CD1-CE 4.39Å
718	A	88.5	Confident	86.4	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-63.9	-38.6	175.4	0	0	0	0	0	112.3	W625 L626 A630 M701 A714 S715 D716 F722	W625-A718 HydrophobicContact CH2-CB 3.94Å; W625-A718 HydrophobicContact CZ3-CB 3.83Å; L626-A718 HydrophobicContact CD2-CB 3.9Å; A630-A718 HydrophobicContact CB-CB 3.93Å; M701-A718 HydrophobicContact CE-CB 3.69Å; A714-A718 VanDerWaalsContact O-CB 3.31Å; A714-A718 WeakPolarHBondContact O-CB 3.25Å; A714-A718 PolarHBondContact O-N 3.05Å; S715-A718 WeakPolarHBondContact O-CB 3.39Å; S715-A718 PolarHBondContact O-N 2.81Å; S715-A718 VanDerWaalsContact O-N 3.15Å; D716-A718 PolarHBondContact O-N 2.8Å; A718-F722 WeakPolarHBondContact O-CB 3.35Å; A718-F722 PolarHBondContact O-N 2.97Å
719	V	89.1	Confident	86.5	Confident	15 Å²	15	43.4 Å²	43.4	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-69.2	-45.6	177.4	177.4	0	0	0	0	111.7	L631 S715 D716 L717 L721 F722 E723	L631-V719 HydrophobicContact CD2-CG2 4.15Å; S715-V719 WeakPolarHBondContact O-CG2 3.46Å; S715-V719 PolarHBondContact O-N 2.89Å; D716-V719 PolarHBondContact O-N 2.65Å; L717-V719 VanDerWaalsContact C-N 3.34Å; V719-L721 VanDerWaalsContact C-N 3.34Å; V719-L721 PolarHBondContact O-N 2.98Å; V719-F722 PolarHBondContact O-N 2.73Å; V719-E723 VanDerWaalsContact CG1-OE1 3.23Å; V719-E723 WeakPolarHBondContact CG1-OE1 3.28Å; V719-E723 WeakPolarHBondContact O-CG 3.21Å; V719-E723 PolarHBondContact O-N 2.89Å
720	V	89.3	Confident	86.8	Confident	17 Å²	17	42 Å²	42	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-41.5	174.2	174.8	0	0	0	0	111	D716 F722 E723 T724 R742 M746	D716-V720 PolarHBondContact O-N 2.79Å; V720-F722 VanDerWaalsContact C-N 3.31Å; V720-F722 PolarHBondContact O-N 2.91Å; V720-E723 PolarHBondContact O-N 2.82Å; V720-T724 WeakPolarHBondContact O-CB 3.4Å; V720-T724 PolarHBondContact O-N 3.17Å; V720-T724 PolarHBondContact O-OG1 2.95Å; V720-R742 HydrophobicContact CG2-CB 3.93Å; V720-R742 HydrophobicContact CG2-CG 4.27Å; V720-M746 HydrophobicContact CB-CE 3.93Å; V720-M746 HydrophobicContact CB-SD 4.3Å; V720-M746 HydrophobicContact CG1-CE 4.46Å; V720-M746 HydrophobicContact CG1-SD 4.19Å; V720-M746 HydrophobicContact CG2-CE 3.49Å; V720-M746 VanDerWaalsContact CG2-CE 3.49Å; V720-M746 HydrophobicContact CG2-SD 3.92Å
721	L	89.9	Confident	87	Confident	20 Å²	20	36.3 Å²	36.3	11%	0.105	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-42.4	176	-164.1	90.6	0	0	0	111.6	P648 C649 L697 L717 V719 A725	P648-L721 HydrophobicContact CB-CD1 4.13Å; P648-L721 HydrophobicContact CG-CD1 4.21Å; C649-L721 VanDerWaalsContact SG-CD2 3.59Å; C649-L721 VanDerWaalsContact SG-CG 3.57Å; L697-L721 HydrophobicContact CD1-CD1 4.44Å; L717-L721 WeakPolarHBondContact O-CB 3.21Å; L717-L721 PolarHBondContact O-N 2.96Å; V719-L721 VanDerWaalsContact C-N 3.34Å; V719-L721 PolarHBondContact O-N 2.98Å; L721-A725 WeakPolarHBondContact O-CB 3.25Å; L721-A725 PolarHBondContact O-N 3.01Å
722	F	91.6	Very high	87.2	Confident	23 Å²	23	39.9 Å²	39.9	10%	0.101	21%	0.209	C	C	.	.	H	α-helix	trans	-68.1	-42.5	175.1	167.6	-90.8	0	0	0	112.9	L631 K634 I635 L651 A718 V719 V720 A725 T726	L631-F722 HydrophobicContact CD1-CB 3.76Å; L631-F722 HydrophobicContact CD1-CD2 4.01Å; L631-F722 HydrophobicContact CD1-CG 4.11Å; L631-F722 HydrophobicContact CD2-CB 3.54Å; L631-F722 HydrophobicContact CD2-CD1 4.22Å; L631-F722 HydrophobicContact CD2-CD2 4.34Å; L631-F722 HydrophobicContact CD2-CG 3.78Å; L631-F722 HydrophobicContact CG-CB 4.32Å; K634-F722 HydrophobicContact CB-CE1 4.09Å; K634-F722 HydrophobicContact CB-CE2 4.22Å; K634-F722 HydrophobicContact CB-CZ 3.84Å; K634-F722 HydrophobicContact CD-CD1 3.95Å; K634-F722 HydrophobicContact CD-CE1 3.72Å; K634-F722 HydrophobicContact CD-CZ 4.36Å; K634-F722 HydrophobicContact CG-CE1 4.3Å; K634-F722 HydrophobicContact CG-CZ 4.49Å; I635-F722 HydrophobicContact CG2-CD2 3.8Å; I635-F722 HydrophobicContact CG2-CE2 3.46Å; I635-F722 VanDerWaalsContact CG2-CE2 3.46Å; L651-F722 HydrophobicContact CD1-CD2 4.08Å; L651-F722 HydrophobicContact CD1-CE2 3.53Å; L651-F722 HydrophobicContact CD1-CZ 3.98Å; L651-F722 HydrophobicContact CD2-CD2 3.99Å; L651-F722 HydrophobicContact CD2-CE2 3.74Å; L651-F722 HydrophobicContact CG-CD2 4.46Å; L651-F722 HydrophobicContact CG-CE2 4.22Å; A718-F722 WeakPolarHBondContact O-CB 3.35Å; A718-F722 PolarHBondContact O-N 2.97Å; V719-F722 PolarHBondContact O-N 2.73Å; V720-F722 VanDerWaalsContact C-N 3.31Å; V720-F722 PolarHBondContact O-N 2.91Å; F722-A725 CarbonylContact O-C 3.59Å; F722-A725 PolarHBondContact O-N 3.27Å; F722-T726 PolarHBondContact O-N 2.9Å; F722-T726 PolarHBondContact O-OG1 2.97Å
723	E	90.8	Very high	87.5	Confident	14 Å²	14	35.7 Å²	35.7	7%	0.065	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-41.8	-180	-76.1	160.7	-172.2	0	0	111	K634 V719 V720 A725 T726 L727 L733 Y739 R742	K634-E723 IonicContact NZ-OE1 2.61Å; K634-E723 PolarHBondContact NZ-OE1 2.09Å; V719-E723 VanDerWaalsContact CG1-OE1 3.23Å; V719-E723 WeakPolarHBondContact CG1-OE1 3.28Å; V719-E723 WeakPolarHBondContact O-CG 3.21Å; V719-E723 PolarHBondContact O-N 2.89Å; V720-E723 PolarHBondContact O-N 2.82Å; E723-A725 VanDerWaalsContact C-N 3.35Å; E723-A725 PolarHBondContact O-N 3.32Å; E723-T726 VanDerWaalsContact O-CB 3.3Å; E723-T726 WeakPolarHBondContact O-CB 3.28Å; E723-T726 PolarHBondContact O-N 3.09Å; E723-L727 PolarHBondContact O-N 3.24Å; E723-L733 HydrophobicContact CB-CD2 3.92Å; E723-L733 HydrophobicContact CG-CD2 4.06Å; E723-Y739 HydrophobicContact CB-CD2 3.5Å; E723-Y739 HydrophobicContact CB-CE2 3.68Å; E723-Y739 HydrophobicContact CG-CD2 4.38Å; E723-R742 VanDerWaalsContact CD-NH2 3.31Å; E723-R742 IonicContact OE1-CZ 2.67Å; E723-R742 IonicContact OE1-NE 3.64Å; E723-R742 IonicContact OE1-NH2 3.6Å; E723-R742 PolarHBondContact OE1-NH2 2.87Å; E723-R742 IonicContact OE2-CZ 3.01Å; E723-R742 IonicContact OE2-NE 2.72Å; E723-R742 PolarHBondContact OE2-NE 3.47Å; E723-R742 IonicContact OE2-NH2 2.77Å; E723-R742 PolarHBondContact OE2-NH2 3.19Å
724	T	90.2	Very high	87.6	Confident	56 Å²	56	37.4 Å²	37.4	34%	0.344	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-38.3	169.7	-56	0	0	0	0	112.1	V720 T726 L727 R728 Y739	V720-T724 WeakPolarHBondContact O-CB 3.4Å; V720-T724 PolarHBondContact O-N 3.17Å; V720-T724 PolarHBondContact O-OG1 2.95Å; T724-T726 VanDerWaalsContact C-N 3.31Å; T724-T726 PolarHBondContact O-N 3.07Å; T724-L727 PolarHBondContact O-N 3.22Å; T724-R728 HydrophobicContact CG2-CG 4.4Å; T724-R728 WeakPolarHBondContact O-CB 3.34Å; T724-R728 WeakPolarHBondContact O-CG 3.36Å; T724-R728 PolarHBondContact O-N 3.5Å; T724-Y739 PolarHBondContact OG1-OH 3.43Å
725	A	91.3	Very high	87.7	Confident	4 Å²	4	41.6 Å²	41.6	3%	0.033	24%	0.236	C	C	.	.	H	α-helix	trans	-66.8	-31.8	174.5	0	0	0	0	0	112.8	L721 F722 E723 S729	L721-A725 WeakPolarHBondContact O-CB 3.25Å; L721-A725 PolarHBondContact O-N 3.01Å; F722-A725 CarbonylContact O-C 3.59Å; F722-A725 PolarHBondContact O-N 3.27Å; E723-A725 VanDerWaalsContact C-N 3.35Å; E723-A725 PolarHBondContact O-N 3.32Å; A725-S729 WeakPolarHBondContact O-CB 3.22Å; A725-S729 PolarHBondContact O-N 2.69Å; A725-S729 PolarHBondContact O-OG 2.94Å
726	T	90.1	Very high	87.8	Confident	10 Å²	10	45.2 Å²	45.2	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-53.2	175.1	-56.7	0	0	0	0	110	L651 F722 E723 T724 S729 G730 Y731 L733	L651-T726 HydrophobicContact CD1-CG2 4.42Å; L651-T726 VanDerWaalsContact CD1-OG1 3.28Å; L651-T726 WeakPolarHBondContact CD1-OG1 3.29Å; F722-T726 PolarHBondContact O-N 2.9Å; F722-T726 PolarHBondContact O-OG1 2.97Å; E723-T726 VanDerWaalsContact O-CB 3.3Å; E723-T726 WeakPolarHBondContact O-CB 3.28Å; E723-T726 PolarHBondContact O-N 3.09Å; T724-T726 VanDerWaalsContact C-N 3.31Å; T724-T726 PolarHBondContact O-N 3.07Å; T726-S729 PolarHBondContact O-N 3.32Å; T726-G730 PolarHBondContact O-N 3.23Å; T726-Y731 PolarHBondContact O-N 2.81Å; T726-Y731 VanDerWaalsContact O-N 3.07Å; T726-L733 HydrophobicContact CG2-CD2 4.16Å
727	L	88.8	Confident	88.1	Confident	79 Å²	79	49.9 Å²	49.9	41%	0.414	28%	0.275	S	S	.	.	H	α-helix	trans	-59	-49.1	174.6	-67.3	174	0	0	0	112.2	E723 T724 S729 G730 L733 Y739	E723-L727 PolarHBondContact O-N 3.24Å; T724-L727 PolarHBondContact O-N 3.22Å; L727-S729 PolarHBondContact O-N 2.75Å; L727-S729 VanDerWaalsContact O-N 3.09Å; L727-G730 PolarHBondContact O-N 3Å; L727-G730 VanDerWaalsContact O-N 3.08Å; L727-L733 HydrophobicContact CD1-CD1 4.06Å; L727-L733 HydrophobicContact CD2-CD1 4.05Å; L727-L733 HydrophobicContact CD2-CG 3.89Å; L727-L733 HydrophobicContact CG-CD1 4.12Å; L727-L733 HydrophobicContact CG-CD2 4.36Å; L727-L733 HydrophobicContact CG-CG 4.07Å; L727-Y739 HydrophobicContact CD1-CE1 3.72Å
728	R	88.4	Confident	88.2	Confident	117 Å²	117	48.2 Å²	48.2	44%	0.442	27%	0.269	S	S	.	.	H	α-helix	trans	-66.7	-9.2	179.2	-70.8	-70.6	-64.7	155.5	6.3	114.4	S555 P557 T724	S555-R728 PolarHBondContact O-NH2 3.48Å; P557-R728 WeakPolarHBondContact CD-O 3.47Å; P557-R728 WeakPolarHBondContact CG-O 3.46Å; T724-R728 HydrophobicContact CG2-CG 4.4Å; T724-R728 WeakPolarHBondContact O-CB 3.34Å; T724-R728 WeakPolarHBondContact O-CG 3.36Å; T724-R728 PolarHBondContact O-N 3.5Å
729	S	89.3	Confident	88.1	Confident	5 Å²	5	50 Å²	50	4%	0.035	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	5.2	176.4	-56.6	0	0	0	0	113.1	L651 A725 T726 L727	L651-S729 PolarHBondContact N-OG 2.67Å; A725-S729 WeakPolarHBondContact O-CB 3.22Å; A725-S729 PolarHBondContact O-N 2.69Å; A725-S729 PolarHBondContact O-OG 2.94Å; T726-S729 PolarHBondContact O-N 3.32Å; L727-S729 PolarHBondContact O-N 2.75Å; L727-S729 VanDerWaalsContact O-N 3.09Å
730	G	86.5	Confident	87.9	Confident	21 Å²	21	51 Å²	51	22%	0.216	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	17.6	179.6	0	0	0	0	0	114.6	G660 T726 L727	G660-G730 CarbonylContact C-O 3.6Å; G660-G730 VanDerWaalsContact CA-O 3.27Å; G660-G730 WeakPolarHBondContact CA-O 3.5Å; T726-G730 PolarHBondContact O-N 3.23Å; L727-G730 PolarHBondContact O-N 3Å; L727-G730 VanDerWaalsContact O-N 3.08Å
731	Y	88.5	Confident	87.7	Confident	13 Å²	13	52.9 Å²	52.9	5%	0.051	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-95.8	148.1	175.2	-72.3	-80.4	0	0	0	111.3	L651 A653 W658 G660 E663 K687 T726	L651-Y731 HydrophobicContact CB-CD2 4.42Å; L651-Y731 HydrophobicContact CB-CE2 4.41Å; A653-Y731 WeakPolarHBondContact CB-OH 2.88Å; W658-Y731 PolarHBondContact O-OH 2.65Å; G660-Y731 VanDerWaalsContact CA-CE1 3.46Å; G660-Y731 VanDerWaalsContact N-CZ 3.32Å; G660-Y731 PolarHBondContact N-OH 2.99Å; E663-Y731 WeakPolarHBondContact OE2-CD1 3.38Å; E663-Y731 WeakPolarHBondContact OE2-CE1 3.46Å; K687-Y731 HydrophobicContact CD-CE1 4.4Å; K687-Y731 VanDerWaalsContact CE-CE1 3.46Å; K687-Y731 HydrophobicContact CG-CE1 4.44Å; K687-Y731 HydrophobicContact CG-CE2 4.48Å; T726-Y731 PolarHBondContact O-N 2.81Å; T726-Y731 VanDerWaalsContact O-N 3.07Å
732	Q	85.3	Confident	87.4	Confident	102 Å²	102	53.9 Å²	53.9	48%	0.477	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-73.4	142.6	170.7	-68.1	169.5	-32.1	0	0	110.6
733	L	85.4	Confident	87.2	Confident	32 Å²	32	55.9 Å²	55.9	17%	0.168	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-70.4	145.2	165.7	-67.3	174.6	0	0	0	110	E723 T726 L727 T736 Y739	E723-L733 HydrophobicContact CB-CD2 3.92Å; E723-L733 HydrophobicContact CG-CD2 4.06Å; T726-L733 HydrophobicContact CG2-CD2 4.16Å; L727-L733 HydrophobicContact CD1-CD1 4.06Å; L727-L733 HydrophobicContact CD2-CD1 4.05Å; L727-L733 HydrophobicContact CD2-CG 3.89Å; L727-L733 HydrophobicContact CG-CD1 4.12Å; L727-L733 HydrophobicContact CG-CD2 4.36Å; L727-L733 HydrophobicContact CG-CG 4.07Å; L733-T736 HydrophobicContact CB-CG2 4.48Å; L733-Y739 HydrophobicContact CD1-CD1 3.58Å; L733-Y739 HydrophobicContact CD1-CD2 4.4Å; L733-Y739 HydrophobicContact CD1-CE1 4.15Å; L733-Y739 HydrophobicContact CD1-CG 3.71Å
734	A	80.7	Confident	86.8	Confident	118 Å²	118	59.5 Å²	59.5	98%	0.975	33%	0.329	S	S	*	.	S	Bend	trans	-77.4	-27.9	175.1	0	0	0	0	0	112.7
735	D	84.9	Confident	86.3	Confident	87 Å²	87	61.5 Å²	61.5	47%	0.465	33%	0.33	S	S	.	.			trans	-142.4	118.8	176.6	-177.6	-16.5	0	0	0	107.6	K737 A738	D735-K737 WeakPolarHBondContact OD1-CA 3.46Å; D735-K737 PolarHBondContact OD1-N 2.86Å; D735-A738 HydrophobicContact CB-CB 4.23Å; D735-A738 PolarHBondContact OD1-N 3.46Å; D735-A738 VanDerWaalsContact OD2-CB 3.22Å; D735-A738 WeakPolarHBondContact OD2-CB 3.38Å
736	T	87.8	Confident	85.8	Confident	111 Å²	111	64.3 Å²	64.3	68%	0.681	34%	0.343	S	S	*	.	S	Bend	trans	-85.9	-27.2	177.7	47	0	0	0	0	112.4	L733 G740	L733-T736 HydrophobicContact CB-CG2 4.48Å; T736-G740 PolarHBondContact O-N 3.47Å; T736-G740 VanDerWaalsContact O-N 3.1Å
737	K	88.7	Confident	85.5	Confident	145 Å²	145	68.4 Å²	68.4	63%	0.63	36%	0.364	S	S	*	.	H	α-helix	trans	-71	-52.5	177.9	-177.2	176.9	177.4	176.6	0	110.1	D735 Y739 G740 D741	D735-K737 WeakPolarHBondContact OD1-CA 3.46Å; D735-K737 PolarHBondContact OD1-N 2.86Å; K737-Y739 PolarHBondContact O-N 2.9Å; K737-G740 CarbonylContact O-C 3.57Å; K737-G740 WeakPolarHBondContact O-CA 3.07Å; K737-G740 PolarHBondContact O-N 2.9Å; K737-D741 WeakPolarHBondContact CG-OD1 3.43Å; K737-D741 PolarHBondContact O-N 2.83Å
738	A	86.5	Confident	85.2	Confident	22 Å²	22	66.9 Å²	66.9	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-21.1	180	0	0	0	0	0	114.1	D735 R742	D735-A738 HydrophobicContact CB-CB 4.23Å; D735-A738 PolarHBondContact OD1-N 3.46Å; D735-A738 VanDerWaalsContact OD2-CB 3.22Å; D735-A738 WeakPolarHBondContact OD2-CB 3.38Å; A738-R742 WeakPolarHBondContact O-CB 3.47Å; A738-R742 PolarHBondContact O-N 3.43Å; A738-R742 PolarHBondContact O-NE 2.65Å
739	Y	86.9	Confident	84.9	Confident	39 Å²	39	66.6 Å²	66.6	15%	0.153	36%	0.359	C	S	.	.	H	α-helix	trans	-77.9	-44.8	169.3	-179.4	-115.4	0	0	0	112.1	E723 T724 L727 L733 K737 R742 I743	E723-Y739 HydrophobicContact CB-CD2 3.5Å; E723-Y739 HydrophobicContact CB-CE2 3.68Å; E723-Y739 HydrophobicContact CG-CD2 4.38Å; T724-Y739 PolarHBondContact OG1-OH 3.43Å; L727-Y739 HydrophobicContact CD1-CE1 3.72Å; L733-Y739 HydrophobicContact CD1-CD1 3.58Å; L733-Y739 HydrophobicContact CD1-CD2 4.4Å; L733-Y739 HydrophobicContact CD1-CE1 4.15Å; L733-Y739 HydrophobicContact CD1-CG 3.71Å; K737-Y739 PolarHBondContact O-N 2.9Å; Y739-R742 PolarHBondContact O-N 3.41Å; Y739-I743 HydrophobicContact CD1-CD1 4.04Å; Y739-I743 HydrophobicContact CE1-CD1 3.54Å; Y739-I743 HydrophobicContact CE2-CD1 4.13Å; Y739-I743 PolarHBondContact O-N 2.95Å
740	G	85.4	Confident	84.6	Confident	35 Å²	35	70.6 Å²	70.6	36%	0.361	39%	0.388	S	S	.	.	H	α-helix	trans	-56.6	-53.6	171.8	0	0	0	0	0	112.1	T736 K737 R742 I743 E744	T736-G740 PolarHBondContact O-N 3.47Å; T736-G740 VanDerWaalsContact O-N 3.1Å; K737-G740 CarbonylContact O-C 3.57Å; K737-G740 WeakPolarHBondContact O-CA 3.07Å; K737-G740 PolarHBondContact O-N 2.9Å; G740-R742 PolarHBondContact O-N 3.17Å; G740-I743 PolarHBondContact O-N 3.17Å; G740-E744 PolarHBondContact O-N 2.97Å
741	D	85.4	Confident	84.5	Confident	57 Å²	57	76.3 Å²	76.3	31%	0.305	41%	0.411	S	S	.	.	H	α-helix	trans	-56.1	-35.1	177.1	-53.8	-9.1	0	0	0	111.8	K737 R745	K737-D741 WeakPolarHBondContact CG-OD1 3.43Å; K737-D741 PolarHBondContact O-N 2.83Å; D741-R745 WeakPolarHBondContact O-CG 3.49Å; D741-R745 PolarHBondContact O-N 3.29Å; D741-R745 VanDerWaalsContact O-N 3.12Å; D741-R745 PolarHBondContact O-NH1 2.61Å
742	R	83.8	Confident	84.2	Confident	42 Å²	42	82.7 Å²	82.7	16%	0.158	45%	0.446	C	S	.	.	H	α-helix	trans	-70.5	-42.4	175.1	-97.3	-170	-80.4	-77.8	-2.9	112.5	V720 E723 A738 Y739 G740 M746	V720-R742 HydrophobicContact CG2-CB 3.93Å; V720-R742 HydrophobicContact CG2-CG 4.27Å; E723-R742 VanDerWaalsContact CD-NH2 3.31Å; E723-R742 IonicContact OE1-CZ 2.67Å; E723-R742 IonicContact OE1-NE 3.64Å; E723-R742 IonicContact OE1-NH2 3.6Å; E723-R742 PolarHBondContact OE1-NH2 2.87Å; E723-R742 IonicContact OE2-CZ 3.01Å; E723-R742 IonicContact OE2-NE 2.72Å; E723-R742 PolarHBondContact OE2-NE 3.47Å; E723-R742 IonicContact OE2-NH2 2.77Å; E723-R742 PolarHBondContact OE2-NH2 3.19Å; A738-R742 WeakPolarHBondContact O-CB 3.47Å; A738-R742 PolarHBondContact O-N 3.43Å; A738-R742 PolarHBondContact O-NE 2.65Å; Y739-R742 PolarHBondContact O-N 3.41Å; G740-R742 PolarHBondContact O-N 3.17Å; R742-M746 WeakPolarHBondContact O-CG 3.47Å; R742-M746 PolarHBondContact O-N 3.03Å; R742-M746 VanDerWaalsContact O-N 3.12Å
743	I	86.1	Confident	84.1	Confident	65 Å²	65	80 Å²	80	33%	0.333	44%	0.436	S	S	.	.	H	α-helix	trans	-63.1	-44.9	174.5	-72.3	173.7	0	0	0	110.1	Y739 G740 R745 M746 L747	Y739-I743 HydrophobicContact CD1-CD1 4.04Å; Y739-I743 HydrophobicContact CE1-CD1 3.54Å; Y739-I743 HydrophobicContact CE2-CD1 4.13Å; Y739-I743 PolarHBondContact O-N 2.95Å; G740-I743 PolarHBondContact O-N 3.17Å; I743-R745 PolarHBondContact O-N 3.19Å; I743-M746 PolarHBondContact O-N 3.42Å; I743-M746 VanDerWaalsContact O-N 3.13Å; I743-L747 HydrophobicContact CG2-CD1 3.81Å; I743-L747 HydrophobicContact CG2-CG 4.18Å; I743-L747 WeakPolarHBondContact O-CG 3.41Å; I743-L747 PolarHBondContact O-N 2.96Å
744	E	83.2	Confident	83.8	Confident	90 Å²	90	81.4 Å²	81.4	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-59.6	-47	179.2	-163.6	-160.5	137.6	0	0	111.4	G740 M746 L747 R748	G740-E744 PolarHBondContact O-N 2.97Å; E744-M746 VanDerWaalsContact C-N 3.3Å; E744-M746 PolarHBondContact O-N 3.46Å; E744-L747 PolarHBondContact O-N 3.02Å; E744-L747 VanDerWaalsContact O-N 3.13Å; E744-R748 WeakPolarHBondContact O-CG 3.44Å; E744-R748 PolarHBondContact O-N 3.2Å; E744-R748 IonicContact OE1-CZ 3.18Å; E744-R748 IonicContact OE1-NE 2.66Å; E744-R748 PolarHBondContact OE1-NE 3.26Å; E744-R748 IonicContact OE1-NH2 2.63Å; E744-R748 PolarHBondContact OE1-NH2 3.17Å
745	R	80.4	Confident	83.6	Confident	97 Å²	97	80.2 Å²	80.2	37%	0.366	42%	0.424	S	S	.	.	H	α-helix	trans	-59.8	-38.2	174.6	-71.5	-167.7	-59.9	-81.9	9	112.8	D741 I743 L749 L755	D741-R745 WeakPolarHBondContact O-CG 3.49Å; D741-R745 PolarHBondContact O-N 3.29Å; D741-R745 VanDerWaalsContact O-N 3.12Å; D741-R745 PolarHBondContact O-NH1 2.61Å; I743-R745 PolarHBondContact O-N 3.19Å; R745-L749 WeakPolarHBondContact O-CB 3.26Å; R745-L749 VanDerWaalsContact O-CG 3.26Å; R745-L749 WeakPolarHBondContact O-CG 3.46Å; R745-L749 PolarHBondContact O-N 3.37Å; R745-L755 HydrophobicContact CB-CD2 3.99Å; R745-L755 HydrophobicContact CG-CD2 3.95Å
746	M	80.4	Confident	83.1	Confident	64 Å²	64	82.4 Å²	82.4	32%	0.315	44%	0.435	S	S	.	.	H	α-helix	trans	-68.7	-37.3	174.4	-73	-169.8	175.7	0	0	112.8	L717 V720 R742 I743 E744 S750	L717-M746 HydrophobicContact CD1-CE 4.39Å; V720-M746 HydrophobicContact CB-CE 3.93Å; V720-M746 HydrophobicContact CB-SD 4.3Å; V720-M746 HydrophobicContact CG1-CE 4.46Å; V720-M746 HydrophobicContact CG1-SD 4.19Å; V720-M746 HydrophobicContact CG2-CE 3.49Å; V720-M746 VanDerWaalsContact CG2-CE 3.49Å; V720-M746 HydrophobicContact CG2-SD 3.92Å; R742-M746 WeakPolarHBondContact O-CG 3.47Å; R742-M746 PolarHBondContact O-N 3.03Å; R742-M746 VanDerWaalsContact O-N 3.12Å; I743-M746 PolarHBondContact O-N 3.42Å; I743-M746 VanDerWaalsContact O-N 3.13Å; E744-M746 VanDerWaalsContact C-N 3.3Å; E744-M746 PolarHBondContact O-N 3.46Å; M746-S750 WeakPolarHBondContact O-CB 3.27Å; M746-S750 PolarHBondContact O-N 3.31Å
747	L	83.3	Confident	82.6	Confident	96 Å²	96	82.3 Å²	82.3	50%	0.503	43%	0.427	S	S	.	.	H	α-helix	trans	-65.9	-48.7	175.1	-72.2	173.3	0	0	0	111	I743 E744 L749 S750 M751	I743-L747 HydrophobicContact CG2-CD1 3.81Å; I743-L747 HydrophobicContact CG2-CG 4.18Å; I743-L747 WeakPolarHBondContact O-CG 3.41Å; I743-L747 PolarHBondContact O-N 2.96Å; E744-L747 PolarHBondContact O-N 3.02Å; E744-L747 VanDerWaalsContact O-N 3.13Å; L747-L749 PolarHBondContact O-N 2.66Å; L747-S750 WeakPolarHBondContact CA-OG 3.43Å; L747-S750 CarbonylContact O-C 3.52Å; L747-S750 PolarHBondContact O-N 2.95Å; L747-S750 PolarHBondContact O-OG 3.46Å; L747-M751 PolarHBondContact O-N 3.28Å
748	R	82.6	Confident	82	Confident	47 Å²	47	83.2 Å²	83.2	18%	0.177	43%	0.433	C	S	.	.	H	α-helix	trans	-51.6	-52.9	173.9	-73.8	177.8	179.7	-119.3	6.2	111.3	E744 S750 M751 N752 V753 P754 L755 E757	E744-R748 WeakPolarHBondContact O-CG 3.44Å; E744-R748 PolarHBondContact O-N 3.2Å; E744-R748 IonicContact OE1-CZ 3.18Å; E744-R748 IonicContact OE1-NE 2.66Å; E744-R748 PolarHBondContact OE1-NE 3.26Å; E744-R748 IonicContact OE1-NH2 2.63Å; E744-R748 PolarHBondContact OE1-NH2 3.17Å; R748-S750 VanDerWaalsContact C-N 3.31Å; R748-S750 PolarHBondContact O-N 3.24Å; R748-M751 CarbonylContact O-C 3.48Å; R748-M751 PolarHBondContact O-N 3.12Å; R748-M751 VanDerWaalsContact O-N 3.16Å; R748-N752 PolarHBondContact O-N 3.42Å; R748-V753 HydrophobicContact CB-CB 4.01Å; R748-V753 HydrophobicContact CB-CG1 4.36Å; R748-V753 HydrophobicContact CG-CB 4.18Å; R748-V753 HydrophobicContact CG-CG1 4.04Å; R748-V753 PolarHBondContact O-N 2.9Å; R748-P754 PolarHBondContact NH1-O 3.46Å; R748-P754 VanDerWaalsContact NH1-O 3.12Å; R748-L755 HydrophobicContact CB-CD2 4.21Å; R748-E757 PolarHBondContact NH1-O 3.36Å
749	L	81.4	Confident	81.5	Confident	110 Å²	110	88 Å²	88	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-58.8	-38.3	175.8	-72.9	169	0	0	0	113.1	R745 L747 N752 L755	R745-L749 WeakPolarHBondContact O-CB 3.26Å; R745-L749 VanDerWaalsContact O-CG 3.26Å; R745-L749 WeakPolarHBondContact O-CG 3.46Å; R745-L749 PolarHBondContact O-N 3.37Å; L747-L749 PolarHBondContact O-N 2.66Å; L749-N752 PolarHBondContact O-N 3.11Å; L749-L755 HydrophobicContact CD2-CD1 4.21Å; L749-L755 HydrophobicContact CD2-CG 4.38Å; L749-L755 HydrophobicContact CG-CD2 4.21Å
750	S	82.6	Confident	81.1	Confident	90 Å²	90	95 Å²	95	63%	0.629	50%	0.495	S	S	*	.	H	α-helix	trans	-72.2	-28.1	178.1	77.2	0	0	0	0	114	M746 L747 R748	M746-S750 WeakPolarHBondContact O-CB 3.27Å; M746-S750 PolarHBondContact O-N 3.31Å; L747-S750 WeakPolarHBondContact CA-OG 3.43Å; L747-S750 CarbonylContact O-C 3.52Å; L747-S750 PolarHBondContact O-N 2.95Å; L747-S750 PolarHBondContact O-OG 3.46Å; R748-S750 VanDerWaalsContact C-N 3.31Å; R748-S750 PolarHBondContact O-N 3.24Å
751	M	85.1	Confident	80.3	Confident	141 Å²	141	101.8 Å²	101.8	70%	0.695	52%	0.517	S	S	*	.	H	α-helix	trans	-94.3	0.9	177.6	-68	177.3	61.4	0	0	112.6	L747 R748 V753	L747-M751 PolarHBondContact O-N 3.28Å; R748-M751 CarbonylContact O-C 3.48Å; R748-M751 PolarHBondContact O-N 3.12Å; R748-M751 VanDerWaalsContact O-N 3.16Å; M751-V753 HydrophobicContact CB-CG2 3.87Å; M751-V753 PolarHBondContact O-N 2.89Å
752	N	82.4	Confident	79.1	Confident	147 Å²	147	107.7 Å²	107.7	79%	0.786	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	31.8	-176	-153.2	104	0	0	0	113.7	R748 L749	R748-N752 PolarHBondContact O-N 3.42Å; L749-N752 PolarHBondContact O-N 3.11Å
753	V	82.6	Confident	78.1	Confident	45 Å²	45	111.1 Å²	111.1	27%	0.273	57%	0.57	S	S	.	*			trans	-84.2	132.1	172.4	179.5	0	0	0	0	108.6	R748 M751 E757	R748-V753 HydrophobicContact CB-CB 4.01Å; R748-V753 HydrophobicContact CB-CG1 4.36Å; R748-V753 HydrophobicContact CG-CB 4.18Å; R748-V753 HydrophobicContact CG-CG1 4.04Å; R748-V753 PolarHBondContact O-N 2.9Å; M751-V753 HydrophobicContact CB-CG2 3.87Å; M751-V753 PolarHBondContact O-N 2.89Å; V753-E757 VanDerWaalsContact CG1-OE2 3.28Å; V753-E757 WeakPolarHBondContact CG1-OE2 3.47Å
754	P	80.6	Confident	76.7	Confident	61 Å²	61	117 Å²	117	40%	0.396	60%	0.596	S	S	.	*			trans	-57.6	148.7	175.1	-21.5	31.5	0	0	0	113.3	R748 D756 E757	R748-P754 PolarHBondContact NH1-O 3.46Å; R748-P754 VanDerWaalsContact NH1-O 3.12Å; P754-D756 VanDerWaalsContact C-N 3.26Å; P754-D756 VanDerWaalsContact CB-OD1 3.23Å; P754-D756 WeakPolarHBondContact CB-OD1 3.29Å; P754-E757 HydrophobicContact CB-CB 4.09Å; P754-E757 WeakPolarHBondContact CD-OE2 3.47Å; P754-E757 HydrophobicContact CG-CB 4.41Å
755	L	74.6	Confident	75.3	Confident	94 Å²	94	121.6 Å²	121.6	49%	0.492	62%	0.618	S	S	.	*	S	Bend	trans	-79.5	-15	179.8	-70.1	176.5	0	0	0	112.8	R745 R748 L749	R745-L755 HydrophobicContact CB-CD2 3.99Å; R745-L755 HydrophobicContact CG-CD2 3.95Å; R748-L755 HydrophobicContact CB-CD2 4.21Å; L749-L755 HydrophobicContact CD2-CD1 4.21Å; L749-L755 HydrophobicContact CD2-CG 4.38Å; L749-L755 HydrophobicContact CG-CD2 4.21Å
756	D	75.1	Confident	73.9	Confident	133 Å²	133	125.4 Å²	125.4	71%	0.711	64%	0.64	S	S	*	*	S	Bend	trans	-103.3	-5.5	-179.4	52.3	-41.6	0	0	0	113.3	P754 Q758	P754-D756 VanDerWaalsContact C-N 3.26Å; P754-D756 VanDerWaalsContact CB-OD1 3.23Å; P754-D756 WeakPolarHBondContact CB-OD1 3.29Å; D756-Q758 PolarHBondContact O-N 3.32Å
757	E	77.1	Confident	72.4	Confident	109 Å²	109	128.2 Å²	128.2	51%	0.509	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-67	118.1	173.8	-169.3	161.4	-125.1	0	0	109.9	R748 V753 P754	R748-E757 PolarHBondContact NH1-O 3.36Å; V753-E757 VanDerWaalsContact CG1-OE2 3.28Å; V753-E757 WeakPolarHBondContact CG1-OE2 3.47Å; P754-E757 HydrophobicContact CB-CB 4.09Å; P754-E757 WeakPolarHBondContact CD-OE2 3.47Å; P754-E757 HydrophobicContact CG-CB 4.41Å
758	Q	76.1	Confident	70.7	Confident	163 Å²	163	132.8 Å²	132.8	76%	0.762	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-83.4	163	-178.6	-59.9	-172.5	6.2	0	0	110.3	D756	D756-Q758 PolarHBondContact O-N 3.32Å
759	V	77.4	Confident	69	Low	124 Å²	124	139.2 Å²	139.2	75%	0.752	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-67.7	138.4	169.6	-175.5	0	0	0	0	107.2	E761	V759-E761 PolarHBondContact O-N 2.86Å; V759-E761 VanDerWaalsContact O-N 3.13Å
760	E	76.6	Confident	67.4	Low	185 Å²	185	139.8 Å²	139.8	86%	0.864	72%	0.724	S	S	*	*			trans	-61.3	115.7	169.4	-66.5	-177.2	137.9	0	0	108	E762	E760-E762 PolarHBondContact O-N 2.92Å
761	E	68.8	Low	65.4	Low	178 Å²	178	140 Å²	140	83%	0.832	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.8	123.9	174.6	-65.9	178.5	147.5	0	0	107.9	V759	V759-E761 PolarHBondContact O-N 2.86Å; V759-E761 VanDerWaalsContact O-N 3.13Å
762	E	61.3	Low	63.1	Low	180 Å²	180	142.3 Å²	142.3	84%	0.841	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-58.2	131.1	166.4	-68.9	-175.8	139.5	0	0	107	E760 E764	E760-E762 PolarHBondContact O-N 2.92Å; E762-E764 PolarHBondContact O-N 3.4Å; E762-E764 VanDerWaalsContact O-N 3.13Å
763	P	63.5	Low	61.1	Low	115 Å²	115	144.2 Å²	144.2	75%	0.747	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-60.5	123.5	-179.8	25.4	-33.1	0	0	0	108.3	E765	P763-E765 PolarHBondContact O-N 3.45Å
764	E	55.3	Low	58.8	Low	188 Å²	188	151.5 Å²	151.5	88%	0.879	78%	0.775	S	S	*	*			trans	-58.6	109.8	168.6	-66.9	-171.3	142.6	0	0	107.2	E762 E766	E762-E764 PolarHBondContact O-N 3.4Å; E762-E764 VanDerWaalsContact O-N 3.13Å; E764-E766 PolarHBondContact O-N 2.94Å
765	E	53.8	Low	56.5	Low	187 Å²	187	154.3 Å²	154.3	87%	0.874	80%	0.796	S	S	*	*			trans	-62.3	105.5	165.6	-70.6	-174.1	151.4	0	0	106.1	P763 P767	P763-E765 PolarHBondContact O-N 3.45Å; E765-P767 VanDerWaalsContact O-N 3.16Å
766	E	51.3	Low	54.7	Low	177 Å²	177	158.9 Å²	158.9	83%	0.827	82%	0.816	S	S	*	*			trans	-49.6	123.8	171.4	-68.4	-177.8	147.1	0	0	107.1	E764 E768	E764-E766 PolarHBondContact O-N 2.94Å; E766-E768 PolarHBondContact O-N 3.13Å
767	P	49.9	Very low	52.8	Low	122 Å²	122	159.3 Å²	159.3	79%	0.792	82%	0.818	S	S	*	*			trans	-61	117.3	-174.5	24.2	-33.2	0	0	0	108.2	E765 E769	E765-P767 VanDerWaalsContact O-N 3.16Å; P767-E769 PolarHBondContact O-N 3.24Å
768	E	47.7	Very low	50.7	Low	193 Å²	193	162.6 Å²	162.6	90%	0.902	83%	0.83	S	S	*	*			trans	-45.8	115.7	-173.4	-70.1	-171.8	132.8	0	0	110.1	E766	E766-E768 PolarHBondContact O-N 3.13Å
769	E	45.9	Very low	48.7	Very low	182 Å²	182	161.3 Å²	161.3	85%	0.85	83%	0.829	S	S	*	*			trans	-56.2	127	175.9	-70	-171	135.3	0	0	107.8	P767 A771	P767-E769 PolarHBondContact O-N 3.24Å; E769-A771 PolarHBondContact O-N 2.87Å
770	P	47.6	Very low	46.6	Very low	121 Å²	121	163.9 Å²	163.9	79%	0.786	83%	0.832	S	S	*	*			trans	-62.8	113.7	-176.9	25.5	-33.2	0	0	0	108.2	E772	P770-E772 PolarHBondContact O-N 3.38Å; P770-E772 VanDerWaalsContact O-N 3.08Å
771	A	41.8	Very low	44.5	Very low	95 Å²	95	163.6 Å²	163.6	79%	0.785	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-50.4	117.4	-170.8	0	0	0	0	0	111.5	E769 E773	E769-A771 PolarHBondContact O-N 2.87Å; A771-E773 PolarHBondContact O-N 2.94Å
772	E	36.6	Very low	42.9	Very low	190 Å²	190	160.1 Å²	160.1	89%	0.888	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.2	178.9	-64	-170.2	133.9	0	0	109.7	P770 E774	P770-E772 PolarHBondContact O-N 3.38Å; P770-E772 VanDerWaalsContact O-N 3.08Å; E772-E774 PolarHBondContact O-N 3.44Å
773	E	39.5	Very low	41.6	Very low	187 Å²	187	157.9 Å²	157.9	87%	0.874	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-69.5	127	164.7	-69.6	-168.7	133	0	0	108.6	A771 S775	A771-E773 PolarHBondContact O-N 2.94Å; E773-S775 PolarHBondContact O-N 2.61Å
774	E	34.3	Very low	40.2	Very low	197 Å²	197	158.7 Å²	158.7	92%	0.921	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-56.8	124.9	179.9	-66.5	-178.9	127.7	0	0	111	E772	E772-E774 PolarHBondContact O-N 3.44Å
775	S	33.6	Very low	39.3	Very low	120 Å²	120	156.3 Å²	156.3	84%	0.839	81%	0.805	S	S	*	*			trans	-101.3	113.8	173.2	38.3	0	0	0	0	110.7	E773	E773-S775 PolarHBondContact O-N 2.61Å
776	E	34.9	Very low	38.4	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	80%	0.801	S	S	*	*			trans	-75.1	145.6	172.2	-74.6	-166.5	135.9	0	0	111.8
777	D	35.9	Very low	37.7	Very low	141 Å²	141	152.5 Å²	152.5	75%	0.754	80%	0.797	S	S	*	*			trans	-56.6	150.4	-172.6	-62.1	-75.5	0	0	0	116.4
778	K	33.3	Very low	37.1	Very low	179 Å²	179	153.5 Å²	153.5	78%	0.778	80%	0.796	S	S	*	*			trans	-162.4	109.5	132.1	-109.2	154.8	-140.6	73.1	0	115.6
779	D	33.9	Very low	36.6	Very low	135 Å²	135	152.4 Å²	152.4	72%	0.722	79%	0.79	S	S	*	*				53.7	125.2	123.5	-55.9	-27.6	0	0	0	122.7
780	E	32.9	Very low	36.3	Very low	178 Å²	178	149 Å²	149	83%	0.832	79%	0.787	S	S	*	*			trans	71.2	92.2	138.9	-64.9	-173.5	160.4	0	0	122.3
781	E	32.8	Very low	35.7	Very low	180 Å²	180	148 Å²	148	84%	0.841	79%	0.789	S	S	*	*				78.4	154.6	112.5	-139.8	-178.3	-123.2	0	0	121.9
782	V	35	Very low	35.5	Very low	104 Å²	104	152.2 Å²	152.2	63%	0.63	79%	0.792	S	S	*	*			trans	86.6	99.1	160.1	-176.7	0	0	0	0	119.4
783	I	35	Very low	36.5	Very low	134 Å²	134	147.7 Å²	147.7	69%	0.687	78%	0.779	S	S	*	*				52.5	137.9	119.6	-64.2	168.2	0	0	0	119.2
784	D	34.3	Very low	36.5	Very low	131 Å²	131	146.4 Å²	146.4	70%	0.701	77%	0.771	S	S	*	*			cis	-153.4	-142.7	-21.7	-91.7	-27.7	0	0	0	104.9
785	D	34.6	Very low	36.8	Very low	138 Å²	138	142.3 Å²	142.3	74%	0.738	76%	0.755	S	S	*	*			cis	-151.7	145.7	6.5	-52.6	-95.7	0	0	0	110.3
786	D	35.4	Very low	37.2	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	76%	0.756	S	S	*	*			trans	46.6	143.5	150	-65.6	-13.4	0	0	0	127
787	D	36.3	Very low	37.6	Very low	139 Å²	139	147.9 Å²	147.9	74%	0.743	78%	0.775	S	S	*	*			trans	69	101.4	136.5	-69.1	-1.9	0	0	0	126.6
788	D	37.9	Very low	37.7	Very low	143 Å²	143	148.3 Å²	148.3	77%	0.765	78%	0.776	S	S	*	*				79	158.4	96.5	-146.9	22.6	0	0	0	124.2
789	E	38.2	Very low	37.9	Very low	169 Å²	169	146.6 Å²	146.6	79%	0.79	78%	0.776	S	S	*	*			trans	49.3	114.7	168.5	-86.8	-169.2	166.7	0	0	122.6
790	S	38.2	Very low	38.1	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	78%	0.779	S	S	*	*			trans	-56.5	147.4	163.3	54.9	0	0	0	0	115.8
791	A	34.6	Very low	38.4	Very low	100 Å²	100	145.5 Å²	145.5	83%	0.826	78%	0.775	S	S	*	*			trans	-154.2	134.3	139.6	0	0	0	0	0	114.2
792	E	38.6	Very low	38.8	Very low	183 Å²	183	143.3 Å²	143.3	86%	0.855	77%	0.771	S	S	*	*			trans	-67.9	177	158.5	-122	-176.1	-133.6	0	0	110.7
793	P	56.8	Low	39	Very low	94 Å²	94	145.9 Å²	145.9	61%	0.61	78%	0.781	S	S	*	*			cis	-147	-172.5	2.8	36.3	-12.7	0	0	0	117.9
794	K	39.3	Very low	39.3	Very low	161 Å²	161	146.8 Å²	146.8	70%	0.7	79%	0.787	S	S	*	*				103.8	139.1	125.9	-104.6	-178	160.9	-70.7	0	123.8
795	D	41.7	Very low	39.7	Very low	111 Å²	111	148 Å²	148	59%	0.594	79%	0.794	S	S	*	*			trans	72.4	122.6	145.3	-62.5	-20.6	0	0	0	123.7
796	E	41.4	Very low	40.1	Very low	183 Å²	183	148.8 Å²	148.8	86%	0.855	80%	0.799	S	S	*	*			trans	50	121.5	138	-59.2	-172.3	158.3	0	0	122.3
797	L	42.9	Very low	40.5	Very low	245 Å²	245	149.1 Å²	149.1	100%	1.283	80%	0.8	S	S	*	*				-152.8	0	114.1	-109.2	168	0	0	0	112

Retrieved 797 of 797 residues in 152.7 ms (Link to these results)

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