A0A087WT78_HUMAN Loading...

Heat shock protein 90 beta family member 1

AlphaFold DB , UniProt , Accession A0A087WT78, Species HUMAN (Homo sapiens, Human), Gene HSP90B1, Length 751 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	46	Very low	42.2	Very low	225 Å²	225	154 Å²	154	100%	1.108	83%	0.833	S	S	*	*				0	132	0	-125.8	-172	-76.7	0	0	108.4
2	R	43	Very low	42	Very low	240 Å²	240	151.7 Å²	151.7	91%	0.906	83%	0.827	S	S	*	*			trans	66	59.8	163.8	-57.2	-176.1	177.5	-178.2	-1.1	118.5
3	A	42	Very low	41.7	Very low	91 Å²	91	151.3 Å²	151.3	75%	0.752	82%	0.823	S	S	*	*	S	Bend	trans	-158.7	15.2	157.3	0	0	0	0	0	115.4
4	L	43	Very low	41.1	Very low	162 Å²	162	152.9 Å²	152.9	85%	0.848	83%	0.829	S	S	*	*	S	Bend	trans	-134	9	179.6	-102.5	110.2	0	0	0	115
5	W	44.2	Very low	40.6	Very low	242 Å²	242	152.4 Å²	152.4	92%	0.917	83%	0.833	S	S	*	*	S	Bend	trans	-111.6	8.1	-177.9	-88.3	62.1	0	0	0	114.3
6	V	47.3	Very low	40.1	Very low	126 Å²	126	156.9 Å²	156.9	76%	0.764	84%	0.842	S	S	*	*	S	Bend	trans	-109.4	-9	-178.7	-177.8	0	0	0	0	112.9
7	L	40.9	Very low	39.5	Very low	163 Å²	163	152.2 Å²	152.2	85%	0.853	84%	0.84	S	S	*	*	S	Bend	trans	-95.3	-6.8	174.8	-95.4	130.3	0	0	0	114.1
8	G	43.8	Very low	39.2	Very low	65 Å²	65	150.3 Å²	150.3	67%	0.67	84%	0.839	S	S	*	*	S	Bend	trans	-95.9	-6.5	-178.6	0	0	0	0	0	116
9	L	39.2	Very low	38.6	Very low	147 Å²	147	149.8 Å²	149.8	77%	0.77	84%	0.84	S	S	*	*	S	Bend	trans	-116.8	-1.2	-172.6	-137.2	92	0	0	0	115.3
10	C	37.8	Very low	38.5	Very low	110 Å²	110	154.1 Å²	154.1	74%	0.743	84%	0.842	S	S	*	*	S	Bend	trans	-99.4	-2.7	-179.2	-74.7	0	0	0	0	114.8
11	C	37.1	Very low	38	Very low	123 Å²	123	151.6 Å²	151.6	83%	0.831	84%	0.843	S	S	*	*	S	Bend	trans	-93.5	7.9	178.7	-71.9	0	0	0	0	114.4
12	V	40	Very low	37.4	Very low	126 Å²	126	148.1 Å²	148.1	76%	0.764	83%	0.828	S	S	*	*	S	Bend	trans	-109.6	-1.2	-175.3	172.9	0	0	0	0	114.3
13	L	37.7	Very low	36.8	Very low	147 Å²	147	144.4 Å²	144.4	77%	0.77	83%	0.827	S	S	*	*	S	Bend	trans	-135.4	13.3	-166.3	-94.1	168.3	0	0	0	120.4
14	L	33.8	Very low	36.3	Very low	173 Å²	173	148.7 Å²	148.7	91%	0.906	83%	0.831	S	S	*	*			trans	-148.8	71.5	176.8	-76.7	175.2	0	0	0	115
15	T	33.2	Very low	35.6	Very low	146 Å²	146	148.1 Å²	148.1	90%	0.896	83%	0.834	S	S	*	*			trans	-156.9	80.7	143.8	50	0	0	0	0	110.5
16	F	32.1	Very low	35	Very low	224 Å²	224	144.2 Å²	144.2	98%	0.982	83%	0.831	S	S	*	*			trans	-118.2	130.2	156.6	-99.9	-82.8	0	0	0	106.9
17	G	29.8	Very low	34.2	Very low	78 Å²	78	144.8 Å²	144.8	80%	0.804	83%	0.834	S	S	*	*			trans	175.9	70.4	178.9	0	0	0	0	0	115.3
18	S	34.3	Very low	33.9	Very low	118 Å²	118	145 Å²	145	83%	0.825	84%	0.836	S	S	*	*			trans	-11.5	132.6	157.6	-174.5	0	0	0	0	119.3
19	V	28.2	Very low	33.2	Very low	141 Å²	141	144.8 Å²	144.8	86%	0.855	83%	0.834	S	S	*	*			trans	-148.3	131.2	148	169.7	0	0	0	0	111
20	R	35.7	Very low	32.9	Very low	235 Å²	235	144.7 Å²	144.7	89%	0.887	84%	0.84	S	S	*	*			trans	-72.1	149.8	164.7	-87.7	175.4	151.2	115.9	-5.7	111
21	A	29.6	Very low	32.7	Very low	102 Å²	102	145.6 Å²	145.6	84%	0.843	84%	0.842	S	S	*	*			trans	-145.2	115.2	153.9	0	0	0	0	0	110.1
22	D	31.8	Very low	32.5	Very low	151 Å²	151	149.1 Å²	149.1	81%	0.807	85%	0.846	S	S	*	*			trans	-71.4	146	147.8	-84.7	-47.8	0	0	0	108
23	D	30.6	Very low	32.1	Very low	163 Å²	163	151.9 Å²	151.9	87%	0.872	85%	0.851	S	S	*	*				-170.1	139.4	125.6	-94.1	-19.6	0	0	0	111.5
24	E	31.3	Very low	32.3	Very low	181 Å²	181	151.6 Å²	151.6	85%	0.846	85%	0.85	S	S	*	*			trans	-62.1	147.4	-171.9	-61.3	165.7	137.7	0	0	115
25	V	30.1	Very low	32.2	Very low	149 Å²	149	151.4 Å²	151.4	90%	0.903	85%	0.849	S	S	*	*			trans	-144.5	136	134.7	-167.3	0	0	0	0	109.8
26	D	29.8	Very low	32.3	Very low	161 Å²	161	147.3 Å²	147.3	86%	0.861	84%	0.836	S	S	*	*			trans	-39.5	146.4	-169.2	-93	-47.3	0	0	0	120.8
27	V	32.5	Very low	32.8	Very low	137 Å²	137	146.7 Å²	146.7	83%	0.83	83%	0.832	S	S	*	*			trans	-90.2	123.8	171.4	176.5	0	0	0	0	109.3
28	D	33.3	Very low	32.9	Very low	168 Å²	168	148 Å²	148	90%	0.898	83%	0.829	S	S	*	*			trans	-146.3	127.6	147.3	-153.1	4.4	0	0	0	109.4
29	G	30.4	Very low	33.3	Very low	61 Å²	61	154.2 Å²	154.2	63%	0.629	84%	0.835	S	S	*	*			trans	141.6	72.6	-176.2	0	0	0	0	0	114
30	T	30.9	Very low	33.7	Very low	144 Å²	144	153.9 Å²	153.9	88%	0.883	82%	0.824	S	S	*	*			trans	-11.7	133.2	159.5	25.9	0	0	0	0	118.9
31	V	35.6	Very low	33.8	Very low	130 Å²	130	146.3 Å²	146.3	79%	0.788	82%	0.819	S	S	*	*			trans	-75.7	132.7	167.7	179.9	0	0	0	0	110
32	E	31.4	Very low	34.4	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	81%	0.807	S	S	*	*			trans	-124	131.2	148.2	-84.8	-167.8	161.8	0	0	109.8
33	E	32.3	Very low	34.8	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	80%	0.795	S	S	*	*			trans	-71.9	151.5	174.3	-83	179.1	140.4	0	0	112.4
34	D	41.8	Very low	35.7	Very low	141 Å²	141	142.6 Å²	142.6	75%	0.754	78%	0.784	S	S	*	*			trans	-23.6	132.2	162.5	-166.8	14.3	0	0	0	117.1
35	L	32	Very low	36.7	Very low	169 Å²	169	139.5 Å²	139.5	89%	0.885	77%	0.773	S	S	*	*				179.4	110.8	124.8	-94.9	156.3	0	0	0	111.4
36	G	34.1	Very low	37.7	Very low	60 Å²	60	137 Å²	137	62%	0.619	76%	0.755	S	S	*	*			trans	111.4	109.6	134.6	0	0	0	0	0	118.9
37	K	42.6	Very low	38.6	Very low	210 Å²	210	135.2 Å²	135.2	91%	0.913	74%	0.742	S	S	*	*			trans	65.5	103.6	143.5	-63.1	177.7	177.2	175.7	0	118.1
38	S	31.9	Very low	39.7	Very low	105 Å²	105	132.2 Å²	132.2	73%	0.734	72%	0.723	S	S	*	*			trans	-156.9	121.7	133.4	50.3	0	0	0	0	112.7	E40	S38-E40 PolarHBondContact O-N 3.34Å
39	R	43.9	Very low	40.8	Very low	249 Å²	249	127.5 Å²	127.5	94%	0.94	70%	0.7	S	S	*	*			trans	-57.6	106.4	161.9	-78.1	158	65.4	166.4	0.4	109
40	E	36.7	Very low	42	Very low	135 Å²	135	130.3 Å²	130.3	63%	0.631	70%	0.697	S	S	*	*			trans	-123.5	69.5	164.3	-96	-175.4	163	0	0	109.7	S38 R43	S38-E40 PolarHBondContact O-N 3.34Å; E40-R43 WeakPolarHBondContact OE1-CD 3.41Å; E40-R43 IonicContact OE1-CZ 3.44Å; E40-R43 IonicContact OE1-NH1 2.61Å; E40-R43 PolarHBondContact OE1-NH1 2.72Å
41	G	37.7	Very low	43.2	Very low	76 Å²	76	133.1 Å²	133.1	78%	0.784	69%	0.692	S	S	*	*	S	Bend	trans	-128.5	13.7	168.1	0	0	0	0	0	112.6
42	S	42.2	Very low	44.2	Very low	84 Å²	84	132.8 Å²	132.8	59%	0.587	68%	0.681	S	S	*	*	S	Bend	trans	-145.8	48.6	-174.5	-176.1	0	0	0	0	110.4
43	R	40	Very low	45.4	Very low	150 Å²	150	128 Å²	128	57%	0.566	66%	0.659	S	S	*	*	S	Bend	trans	-121.7	-15.8	169.1	-68.9	-178.2	104.8	163.6	4.1	112.7	E40 D45 E47	E40-R43 WeakPolarHBondContact OE1-CD 3.41Å; E40-R43 IonicContact OE1-CZ 3.44Å; E40-R43 IonicContact OE1-NH1 2.61Å; E40-R43 PolarHBondContact OE1-NH1 2.72Å; R43-D45 VanDerWaalsContact C-N 3.34Å; R43-D45 PolarHBondContact O-N 3.33Å; R43-E47 WeakPolarHBondContact O-CG 3.42Å; R43-E47 PolarHBondContact O-N 2.89Å
44	T	49.5	Very low	46.5	Very low	103 Å²	103	126.3 Å²	126.3	63%	0.632	65%	0.651	S	S	*	*	H	α-helix	trans	-68.9	-31.8	177.6	50.6	0	0	0	0	112.5	V48	T44-V48 WeakPolarHBondContact O-CB 3.39Å; T44-V48 WeakPolarHBondContact O-CG2 3.37Å; T44-V48 PolarHBondContact O-N 3.15Å
45	D	51.6	Low	47.3	Very low	116 Å²	116	123.2 Å²	123.2	62%	0.62	65%	0.645	S	S	*	*	H	α-helix	trans	-77.5	-40.3	176.6	-85.8	-8.4	0	0	0	112.5	R43 E47 V48 V49	R43-D45 VanDerWaalsContact C-N 3.34Å; R43-D45 PolarHBondContact O-N 3.33Å; D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 2.89Å; D45-V48 PolarHBondContact O-N 3.35Å; D45-V49 WeakPolarHBondContact O-CB 3.41Å; D45-V49 VanDerWaalsContact O-CG2 3.25Å; D45-V49 WeakPolarHBondContact O-CG2 3.45Å; D45-V49 PolarHBondContact O-N 3.1Å
46	D	51.5	Low	48.5	Very low	98 Å²	98	119.2 Å²	119.2	52%	0.524	62%	0.624	S	S	.	*	H	α-helix	trans	-65.5	-36.7	178.6	-73.8	-23.7	0	0	0	111.8	Q50	D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 VanDerWaalsContact O-CG 3.25Å; D46-Q50 WeakPolarHBondContact O-CG 3.46Å; D46-Q50 PolarHBondContact O-N 3.18Å
47	E	49.3	Very low	49.6	Very low	123 Å²	123	124.8 Å²	124.8	58%	0.575	63%	0.634	S	S	*	*	H	α-helix	trans	-73.6	-31.3	175.8	-72	-177.1	178.1	0	0	112.9	R43 D45 R51	R43-E47 WeakPolarHBondContact O-CG 3.42Å; R43-E47 PolarHBondContact O-N 2.89Å; D45-E47 VanDerWaalsContact C-N 3.33Å; D45-E47 PolarHBondContact O-N 2.89Å; E47-R51 WeakPolarHBondContact O-CB 3.3Å; E47-R51 PolarHBondContact O-N 3.32Å
48	V	54.5	Low	50.3	Low	73 Å²	73	119.9 Å²	119.9	44%	0.442	62%	0.617	S	S	.	*	H	α-helix	trans	-72	-42.8	174.2	168.7	0	0	0	0	110.7	T44 D45 Q50 R51 E52	T44-V48 WeakPolarHBondContact O-CB 3.39Å; T44-V48 WeakPolarHBondContact O-CG2 3.37Å; T44-V48 PolarHBondContact O-N 3.15Å; D45-V48 PolarHBondContact O-N 3.35Å; V48-Q50 PolarHBondContact O-N 3.14Å; V48-R51 PolarHBondContact O-N 3.03Å; V48-E52 HydrophobicContact CG1-CG 4.48Å; V48-E52 WeakPolarHBondContact O-CG 3.49Å; V48-E52 PolarHBondContact O-N 3.48Å
49	V	56.3	Low	51.4	Low	70 Å²	70	122.9 Å²	122.9	42%	0.424	63%	0.625	S	S	.	*	H	α-helix	trans	-60.3	-46.3	173.6	171.8	0	0	0	0	110.1	D45 R51 E52 E53	D45-V49 WeakPolarHBondContact O-CB 3.41Å; D45-V49 VanDerWaalsContact O-CG2 3.25Å; D45-V49 WeakPolarHBondContact O-CG2 3.45Å; D45-V49 PolarHBondContact O-N 3.1Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 3.26Å; V49-E52 PolarHBondContact O-N 3.09Å; V49-E53 HydrophobicContact CG1-CG 4.14Å; V49-E53 VanDerWaalsContact O-CB 3.24Å; V49-E53 WeakPolarHBondContact O-CB 3.32Å; V49-E53 WeakPolarHBondContact O-CG 3.32Å; V49-E53 PolarHBondContact O-N 3.18Å
50	Q	55.8	Low	52.5	Low	120 Å²	120	114.5 Å²	114.5	56%	0.561	62%	0.616	S	S	*	*	H	α-helix	trans	-61.5	-37.6	176.4	-75	175.8	16.9	0	0	112.9	D46 V48 E53 E54	D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 VanDerWaalsContact O-CG 3.25Å; D46-Q50 WeakPolarHBondContact O-CG 3.46Å; D46-Q50 PolarHBondContact O-N 3.18Å; V48-Q50 PolarHBondContact O-N 3.14Å; Q50-E53 PolarHBondContact O-N 3.48Å; Q50-E54 PolarHBondContact O-N 2.96Å
51	R	57.5	Low	54.1	Low	203 Å²	203	111.1 Å²	111.1	77%	0.766	60%	0.602	S	S	*	*	H	α-helix	trans	-68.2	-42.2	175	-107.8	-179	172.4	173.5	0.5	113.4	E47 V48 V49 E53 E54 A55	E47-R51 WeakPolarHBondContact O-CB 3.3Å; E47-R51 PolarHBondContact O-N 3.32Å; V48-R51 PolarHBondContact O-N 3.03Å; V49-R51 VanDerWaalsContact C-N 3.31Å; V49-R51 PolarHBondContact O-N 3.26Å; R51-E53 VanDerWaalsContact C-N 3.3Å; R51-E54 PolarHBondContact O-N 3.37Å; R51-A55 WeakPolarHBondContact O-CB 3.42Å; R51-A55 PolarHBondContact O-N 3.34Å; R51-A55 VanDerWaalsContact O-N 3.16Å
52	E	56.5	Low	55.9	Low	122 Å²	122	111.4 Å²	111.4	57%	0.57	59%	0.585	S	S	*	*	H	α-helix	trans	-68	-34.9	175.1	-73.2	-171.9	160.1	0	0	111	V48 V49 E54 A55 I56	V48-E52 HydrophobicContact CG1-CG 4.48Å; V48-E52 WeakPolarHBondContact O-CG 3.49Å; V48-E52 PolarHBondContact O-N 3.48Å; V49-E52 PolarHBondContact O-N 3.09Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 3.43Å; E52-A55 PolarHBondContact O-N 3.02Å; E52-I56 WeakPolarHBondContact O-CD1 3.28Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.39Å; E52-I56 PolarHBondContact O-N 2.8Å
53	E	55.5	Low	57.1	Low	96 Å²	96	110.8 Å²	110.8	45%	0.449	59%	0.585	S	S	.	*	H	α-helix	trans	-63.5	-35.6	176.7	-80.2	-170.2	161.1	0	0	112.8	V49 Q50 R51 R70	V49-E53 HydrophobicContact CG1-CG 4.14Å; V49-E53 VanDerWaalsContact O-CB 3.24Å; V49-E53 WeakPolarHBondContact O-CB 3.32Å; V49-E53 WeakPolarHBondContact O-CG 3.32Å; V49-E53 PolarHBondContact O-N 3.18Å; Q50-E53 PolarHBondContact O-N 3.48Å; R51-E53 VanDerWaalsContact C-N 3.3Å; E53-R70 VanDerWaalsContact CA-NH1 3.32Å; E53-R70 VanDerWaalsContact CG-NH1 3.27Å; E53-R70 PolarHBondContact O-NH1 3.12Å; E53-R70 VanDerWaalsContact O-NH1 3.11Å
54	E	56	Low	58.5	Low	150 Å²	150	107.5 Å²	107.5	70%	0.701	59%	0.585	S	S	*	*	H	α-helix	trans	-80.4	-23.5	174.9	-72.2	-174.6	163.9	0	0	113.6	Q50 R51 E52	Q50-E54 PolarHBondContact O-N 2.96Å; R51-E54 PolarHBondContact O-N 3.37Å; E52-E54 VanDerWaalsContact C-N 3.32Å; E52-E54 PolarHBondContact O-N 3.43Å
55	A	57.7	Low	59.6	Low	76 Å²	76	106.6 Å²	106.6	63%	0.628	57%	0.574	S	S	*	*	H	α-helix	trans	-86.7	-15.1	-175.8	0	0	0	0	0	114.6	R51 E52 Q57	R51-A55 WeakPolarHBondContact O-CB 3.42Å; R51-A55 PolarHBondContact O-N 3.34Å; R51-A55 VanDerWaalsContact O-N 3.16Å; E52-A55 PolarHBondContact O-N 3.02Å; A55-Q57 PolarHBondContact O-N 2.68Å
56	I	57.6	Low	60.5	Low	84 Å²	84	101.8 Å²	101.8	43%	0.431	55%	0.548	S	S	.	.			trans	-80.5	90.1	179.4	-62.2	158.6	0	0	0	109.3	E52 L58 I66	E52-I56 WeakPolarHBondContact O-CD1 3.28Å; E52-I56 VanDerWaalsContact O-CG1 3.28Å; E52-I56 WeakPolarHBondContact O-CG1 3.39Å; E52-I56 PolarHBondContact O-N 2.8Å; I56-L58 HydrophobicContact CG2-CD1 4.33Å; I56-L58 PolarHBondContact O-N 2.88Å; I56-I66 WeakPolarHBondContact O-CD1 3.45Å
57	Q	56.7	Low	61.4	Low	177 Å²	177	105 Å²	105	83%	0.827	55%	0.553	S	S	*	*			trans	-79.3	97.9	165.8	-66.8	-171.8	2.5	0	0	108.9	A55	A55-Q57 PolarHBondContact O-N 2.68Å
58	L	57.8	Low	62.7	Low	107 Å²	107	104 Å²	104	56%	0.56	55%	0.548	S	S	*	.			trans	-69.4	128.8	163.6	-120.6	117.2	0	0	0	107.8	I56 G60 L61 I66	I56-L58 HydrophobicContact CG2-CD1 4.33Å; I56-L58 PolarHBondContact O-N 2.88Å; L58-G60 PolarHBondContact O-N 3.06Å; L58-G60 VanDerWaalsContact O-N 3.14Å; L58-L61 PolarHBondContact O-N 2.83Å; L58-I66 HydrophobicContact CB-CD1 4.29Å
59	D	54.9	Low	63.6	Low	169 Å²	169	105.5 Å²	105.5	90%	0.904	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.4	120	-174.2	-166.6	13.2	0	0	0	111.5
60	G	66.4	Low	64.4	Low	73 Å²	73	106.2 Å²	106.2	75%	0.753	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-1.4	179	0	0	0	0	0	118	L58	L58-G60 PolarHBondContact O-N 3.06Å; L58-G60 VanDerWaalsContact O-N 3.14Å
61	L	70.3	Confident	65.5	Low	64 Å²	64	107.1 Å²	107.1	34%	0.335	55%	0.552	S	S	.	*			trans	-116.2	136.4	178.3	-67.3	169.1	0	0	0	112.3	L58 Q65 I66	L58-L61 PolarHBondContact O-N 2.83Å; L61-Q65 HydrophobicContact CD2-CB 4.16Å; L61-I66 HydrophobicContact CB-CD1 4.28Å; L61-I66 HydrophobicContact CB-CG1 3.88Å
62	N	75.9	Confident	66.7	Low	81 Å²	81	104.5 Å²	104.5	43%	0.433	55%	0.547	S	S	.	.			trans	-83.5	161	174.8	71.8	27.2	0	0	0	112	S64 Q65 I66	N62-S64 PolarHBondContact O-N 3.13Å; N62-S64 VanDerWaalsContact O-N 3.16Å; N62-S64 PolarHBondContact OD1-N 2.99Å; N62-S64 PolarHBondContact OD1-OG 2.94Å; N62-Q65 VanDerWaalsContact N-OE1 3.09Å; N62-Q65 WeakPolarHBondContact O-CB 3.46Å; N62-Q65 PolarHBondContact O-N 3.28Å; N62-Q65 WeakPolarHBondContact OD1-CB 3.4Å; N62-Q65 WeakPolarHBondContact OD1-CG 2.98Å; N62-Q65 PolarHBondContact OD1-N 3.13Å; N62-Q65 PolarHBondContact OD1-OE1 3.08Å; N62-I66 PolarHBondContact O-N 3.27Å
63	A	68.1	Low	67.9	Low	71 Å²	71	101.8 Å²	101.8	59%	0.587	54%	0.541	S	S	*	.	H	α-helix	trans	-56	-35.4	-175.5	0	0	0	0	0	113.7	I66 R67	A63-I66 PolarHBondContact O-N 3.36Å; A63-R67 WeakPolarHBondContact O-CB 3.45Å; A63-R67 PolarHBondContact O-N 2.91Å
64	S	69.5	Low	69.4	Low	81 Å²	81	104.7 Å²	104.7	57%	0.566	55%	0.554	S	S	*	*	H	α-helix	trans	-66.4	-38.9	175	42	0	0	0	0	113.2	N62 R67 E68	N62-S64 PolarHBondContact O-N 3.13Å; N62-S64 VanDerWaalsContact O-N 3.16Å; N62-S64 PolarHBondContact OD1-N 2.99Å; N62-S64 PolarHBondContact OD1-OG 2.94Å; S64-R67 PolarHBondContact O-N 3.42Å; S64-E68 PolarHBondContact O-N 2.86Å
65	Q	72.3	Confident	70.7	Confident	85 Å²	85	107.1 Å²	107.1	40%	0.397	56%	0.563	S	S	.	*	H	α-helix	trans	-70.1	-37.4	177.3	-73.7	167.7	-31.2	0	0	111.4	L61 N62 R67 E68 L69	L61-Q65 HydrophobicContact CD2-CB 4.16Å; N62-Q65 VanDerWaalsContact N-OE1 3.09Å; N62-Q65 WeakPolarHBondContact O-CB 3.46Å; N62-Q65 PolarHBondContact O-N 3.28Å; N62-Q65 WeakPolarHBondContact OD1-CB 3.4Å; N62-Q65 WeakPolarHBondContact OD1-CG 2.98Å; N62-Q65 PolarHBondContact OD1-N 3.13Å; N62-Q65 PolarHBondContact OD1-OE1 3.08Å; Q65-R67 VanDerWaalsContact C-N 3.35Å; Q65-E68 PolarHBondContact O-N 3.04Å; Q65-L69 VanDerWaalsContact O-CB 3.31Å; Q65-L69 WeakPolarHBondContact O-CB 3.37Å; Q65-L69 PolarHBondContact O-N 2.84Å
66	I	69.8	Low	72.1	Confident	14 Å²	14	111.5 Å²	111.5	7%	0.072	57%	0.568	C	S	.	*	H	α-helix	trans	-65.5	-40.7	176	-64	174.9	0	0	0	110.6	I56 L58 L61 N62 A63 L69 R70	I56-I66 WeakPolarHBondContact O-CD1 3.45Å; L58-I66 HydrophobicContact CB-CD1 4.29Å; L61-I66 HydrophobicContact CB-CD1 4.28Å; L61-I66 HydrophobicContact CB-CG1 3.88Å; N62-I66 PolarHBondContact O-N 3.27Å; A63-I66 PolarHBondContact O-N 3.36Å; I66-L69 PolarHBondContact O-N 3.02Å; I66-R70 WeakPolarHBondContact O-CB 3.47Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 2.93Å
67	R	70.4	Confident	73.6	Confident	167 Å²	167	111.6 Å²	111.6	63%	0.63	58%	0.581	S	S	*	*	H	α-helix	trans	-63.1	-47.4	175.2	-172	175.5	180	154	3.7	112	A63 S64 Q65 L69 R70 E71	A63-R67 WeakPolarHBondContact O-CB 3.45Å; A63-R67 PolarHBondContact O-N 2.91Å; S64-R67 PolarHBondContact O-N 3.42Å; Q65-R67 VanDerWaalsContact C-N 3.35Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.33Å; R67-R70 PolarHBondContact O-N 2.92Å; R67-E71 IonicContact NE-OE1 3.47Å; R67-E71 PolarHBondContact NE-OE1 3.46Å; R67-E71 WeakPolarHBondContact O-CB 3.44Å; R67-E71 WeakPolarHBondContact O-CG 3.48Å; R67-E71 PolarHBondContact O-N 2.56Å
68	E	76.6	Confident	75.1	Confident	100 Å²	100	113.6 Å²	113.6	47%	0.467	59%	0.588	S	S	.	*	H	α-helix	trans	-63	-37	176.1	-169.8	178.8	-176.8	0	0	111.9	S64 Q65 K72	S64-E68 PolarHBondContact O-N 2.86Å; Q65-E68 PolarHBondContact O-N 3.04Å; E68-K72 HydrophobicContact CG-CD 4.21Å; E68-K72 WeakPolarHBondContact O-CB 3.44Å; E68-K72 VanDerWaalsContact O-CG 3.31Å; E68-K72 WeakPolarHBondContact O-CG 3.39Å; E68-K72 PolarHBondContact O-N 2.85Å; E68-K72 VanDerWaalsContact O-N 3.09Å; E68-K72 WeakPolarHBondContact OE1-CE 3.34Å; E68-K72 IonicContact OE1-NZ 2.81Å; E68-K72 PolarHBondContact OE1-NZ 3.09Å
69	L	74.8	Confident	76.3	Confident	105 Å²	105	117.7 Å²	117.7	55%	0.55	60%	0.604	S	S	.	*	H	α-helix	trans	-64.6	-44.2	175.5	-144.7	97.4	0	0	0	111.3	Q65 I66 R67 K72 S73	Q65-L69 VanDerWaalsContact O-CB 3.31Å; Q65-L69 WeakPolarHBondContact O-CB 3.37Å; Q65-L69 PolarHBondContact O-N 2.84Å; I66-L69 PolarHBondContact O-N 3.02Å; R67-L69 VanDerWaalsContact C-N 3.3Å; R67-L69 PolarHBondContact O-N 3.33Å; L69-K72 CarbonylContact O-C 3.54Å; L69-K72 PolarHBondContact O-N 3.23Å; L69-S73 WeakPolarHBondContact O-CB 3.39Å; L69-S73 PolarHBondContact O-N 3.02Å; L69-S73 PolarHBondContact O-OG 3.28Å
70	R	73.1	Confident	77.7	Confident	86 Å²	86	112.7 Å²	112.7	33%	0.325	59%	0.586	S	S	.	*	H	α-helix	trans	-69.1	-39.3	179	-75.2	-177.8	-178.5	156.8	4	112.6	E53 I66 R67 K72 S73	E53-R70 VanDerWaalsContact CA-NH1 3.32Å; E53-R70 VanDerWaalsContact CG-NH1 3.27Å; E53-R70 PolarHBondContact O-NH1 3.12Å; E53-R70 VanDerWaalsContact O-NH1 3.11Å; I66-R70 WeakPolarHBondContact O-CB 3.47Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 2.93Å; R67-R70 PolarHBondContact O-N 2.92Å; R70-K72 VanDerWaalsContact C-N 3.28Å; R70-K72 PolarHBondContact O-N 3.19Å; R70-S73 PolarHBondContact O-N 3.02Å
71	E	78.8	Confident	78.7	Confident	139 Å²	139	114.5 Å²	114.5	65%	0.65	58%	0.575	S	S	*	*	H	α-helix	trans	-66	-31.7	175.4	-76	178.9	-171.9	0	0	112	R67	R67-E71 IonicContact NE-OE1 3.47Å; R67-E71 PolarHBondContact NE-OE1 3.46Å; R67-E71 WeakPolarHBondContact O-CB 3.44Å; R67-E71 WeakPolarHBondContact O-CG 3.48Å; R67-E71 PolarHBondContact O-N 2.56Å
72	K	82.8	Confident	79.4	Confident	148 Å²	148	115.4 Å²	115.4	64%	0.643	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-2.6	174.8	-66.1	179	-172.2	174.2	0	114	E68 L69 R70	E68-K72 HydrophobicContact CG-CD 4.21Å; E68-K72 WeakPolarHBondContact O-CB 3.44Å; E68-K72 VanDerWaalsContact O-CG 3.31Å; E68-K72 WeakPolarHBondContact O-CG 3.39Å; E68-K72 PolarHBondContact O-N 2.85Å; E68-K72 VanDerWaalsContact O-N 3.09Å; E68-K72 WeakPolarHBondContact OE1-CE 3.34Å; E68-K72 IonicContact OE1-NZ 2.81Å; E68-K72 PolarHBondContact OE1-NZ 3.09Å; L69-K72 CarbonylContact O-C 3.54Å; L69-K72 PolarHBondContact O-N 3.23Å; R70-K72 VanDerWaalsContact C-N 3.28Å; R70-K72 PolarHBondContact O-N 3.19Å
73	S	80.5	Confident	79.8	Confident	64 Å²	64	115.6 Å²	115.6	45%	0.448	58%	0.584	S	S	.	*	S	Bend	trans	-81.4	133.8	-179.6	-71.1	0	0	0	0	110.8	L69 R70	L69-S73 WeakPolarHBondContact O-CB 3.39Å; L69-S73 PolarHBondContact O-N 3.02Å; L69-S73 PolarHBondContact O-OG 3.28Å; R70-S73 PolarHBondContact O-N 3.02Å
74	E	86.7	Confident	80.6	Confident	157 Å²	157	120.3 Å²	120.3	73%	0.734	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-79.2	126.4	174.6	-66.2	-179.1	166.7	0	0	110.2	F76	E74-F76 HydrophobicContact CB-CD2 4.36Å; E74-F76 HydrophobicContact CB-CE2 3.58Å; E74-F76 HydrophobicContact CB-CZ 3.92Å; E74-F76 VanDerWaalsContact OE2-CZ 3.28Å; E74-F76 WeakPolarHBondContact OE2-CZ 3.43Å
75	K	84.5	Confident	81.3	Confident	202 Å²	202	120.2 Å²	120.2	88%	0.878	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-92.7	120.9	174.8	-64.5	-176.1	-178.4	-177.5	0	108.9
76	F	87.4	Confident	81.9	Confident	167 Å²	167	117 Å²	117	73%	0.732	56%	0.563	S	S	*	*			trans	-107.6	140.2	172.5	-62.4	-85	0	0	0	109.9	E74	E74-F76 HydrophobicContact CB-CD2 4.36Å; E74-F76 HydrophobicContact CB-CE2 3.58Å; E74-F76 HydrophobicContact CB-CZ 3.92Å; E74-F76 VanDerWaalsContact OE2-CZ 3.28Å; E74-F76 WeakPolarHBondContact OE2-CZ 3.43Å
77	A	88.7	Confident	82.7	Confident	87 Å²	87	122.2 Å²	122.2	72%	0.719	59%	0.586	S	S	*	*			trans	-81	145.8	168.2	0	0	0	0	0	109.8	Q79	A77-Q79 PolarHBondContact O-N 2.87Å
78	F	87.2	Confident	83.4	Confident	219 Å²	219	119.1 Å²	119.1	96%	0.961	58%	0.581	S	S	*	*			trans	-59.6	131.7	173.5	-71.4	-80.9	0	0	0	110.4
79	Q	84.1	Confident	83.9	Confident	193 Å²	193	114.9 Å²	114.9	90%	0.902	56%	0.561	S	S	*	*			trans	-106.7	149.3	174.7	-66	-177.2	-13	0	0	109.8	A77	A77-Q79 PolarHBondContact O-N 2.87Å
80	A	84.7	Confident	84.4	Confident	64 Å²	64	110.5 Å²	110.5	53%	0.529	54%	0.538	S	S	.	.			trans	-130.3	132.6	179	0	0	0	0	0	110.8	V82 M85	A80-V82 PolarHBondContact O-N 3.45Å; A80-M85 HydrophobicContact CB-CE 3.63Å
81	E	87	Confident	84.8	Confident	110 Å²	110	112 Å²	112	51%	0.514	55%	0.553	S	S	.	*			trans	-82.3	99.5	173.1	-170.4	-177.8	161.2	0	0	109.6	N83 R84 M85	E81-N83 PolarHBondContact O-N 3.14Å; E81-R84 HydrophobicContact CB-CB 4.36Å; E81-R84 VanDerWaalsContact CD-CD 3.44Å; E81-R84 HydrophobicContact CG-CB 4.28Å; E81-R84 HydrophobicContact CG-CG 4.19Å; E81-R84 PolarHBondContact O-N 3.32Å; E81-R84 WeakPolarHBondContact OE1-CG 3.41Å; E81-R84 IonicContact OE1-NE 3.57Å; E81-R84 PolarHBondContact OE1-NE 3.46Å; E81-R84 WeakPolarHBondContact OE2-CD 3.33Å; E81-R84 IonicContact OE2-CZ 2.65Å; E81-R84 IonicContact OE2-NE 2.8Å; E81-R84 PolarHBondContact OE2-NE 3.29Å; E81-R84 IonicContact OE2-NH1 3.64Å; E81-M85 PolarHBondContact O-N 2.9Å
82	V	85.3	Confident	85.1	Confident	84 Å²	84	109.7 Å²	109.7	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-55.9	-45.8	-171.7	-178.9	0	0	0	0	112.2	A80 R84 M85 M86 I166	A80-V82 PolarHBondContact O-N 3.45Å; V82-R84 VanDerWaalsContact C-N 3.32Å; V82-R84 PolarHBondContact O-N 3.12Å; V82-M85 WeakPolarHBondContact O-CB 3.21Å; V82-M85 PolarHBondContact O-N 3.18Å; V82-M85 VanDerWaalsContact O-N 3.14Å; V82-M86 PolarHBondContact O-N 3.1Å; V82-I166 HydrophobicContact CG1-CD1 3.87Å
83	N	83.3	Confident	85.2	Confident	85 Å²	85	104.8 Å²	104.8	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-62.7	-37	-178.1	-68.4	-14.6	0	0	0	112.7	E81 K87	E81-N83 PolarHBondContact O-N 3.14Å; N83-K87 WeakPolarHBondContact O-CG 3.44Å; N83-K87 PolarHBondContact O-N 3.49Å
84	R	84.8	Confident	85.5	Confident	170 Å²	170	102.6 Å²	102.6	64%	0.642	52%	0.515	S	S	*	.	H	α-helix	trans	-72.7	-39.7	174.6	-77.7	-171.3	-177.6	-175.2	-13.6	111.8	E81 V82 M86 K87 L88	E81-R84 HydrophobicContact CB-CB 4.36Å; E81-R84 VanDerWaalsContact CD-CD 3.44Å; E81-R84 HydrophobicContact CG-CB 4.28Å; E81-R84 HydrophobicContact CG-CG 4.19Å; E81-R84 PolarHBondContact O-N 3.32Å; E81-R84 WeakPolarHBondContact OE1-CG 3.41Å; E81-R84 IonicContact OE1-NE 3.57Å; E81-R84 PolarHBondContact OE1-NE 3.46Å; E81-R84 WeakPolarHBondContact OE2-CD 3.33Å; E81-R84 IonicContact OE2-CZ 2.65Å; E81-R84 IonicContact OE2-NE 2.8Å; E81-R84 PolarHBondContact OE2-NE 3.29Å; E81-R84 IonicContact OE2-NH1 3.64Å; V82-R84 VanDerWaalsContact C-N 3.32Å; V82-R84 PolarHBondContact O-N 3.12Å; R84-M86 VanDerWaalsContact C-N 3.34Å; R84-M86 PolarHBondContact O-N 3.04Å; R84-K87 PolarHBondContact O-N 3.38Å; R84-L88 PolarHBondContact O-N 2.95Å
85	M	85.4	Confident	85.4	Confident	78 Å²	78	104 Å²	104	38%	0.384	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-43.4	177.2	-170.6	175.6	-72	0	0	111.4	A80 E81 V82 K87 L88 I89 I166	A80-M85 HydrophobicContact CB-CE 3.63Å; E81-M85 PolarHBondContact O-N 2.9Å; V82-M85 WeakPolarHBondContact O-CB 3.21Å; V82-M85 PolarHBondContact O-N 3.18Å; V82-M85 VanDerWaalsContact O-N 3.14Å; M85-K87 PolarHBondContact O-N 3.4Å; M85-L88 WeakPolarHBondContact O-CB 3.29Å; M85-L88 PolarHBondContact O-N 3.09Å; M85-I89 HydrophobicContact CG-CD1 4.23Å; M85-I89 WeakPolarHBondContact O-CG1 3.37Å; M85-I89 PolarHBondContact O-N 3.38Å; M85-I166 HydrophobicContact CB-CD1 4.25Å; M85-I166 HydrophobicContact CG-CD1 4.19Å; M85-I166 HydrophobicContact CG-CG2 4.29Å; M85-I166 HydrophobicContact SD-CB 4.28Å; M85-I166 HydrophobicContact SD-CD1 4.26Å; M85-I166 HydrophobicContact SD-CG2 3.74Å
86	M	84.8	Confident	85.6	Confident	18 Å²	18	98 Å²	98	9%	0.089	50%	0.496	C	S	.	.	H	α-helix	trans	-59	-48	175	-170.8	65.5	80	0	0	111.4	V82 R84 L88 I89 I90 I166 Y200	V82-M86 PolarHBondContact O-N 3.1Å; R84-M86 VanDerWaalsContact C-N 3.34Å; R84-M86 PolarHBondContact O-N 3.04Å; M86-L88 VanDerWaalsContact C-N 3.26Å; M86-L88 PolarHBondContact O-N 3.22Å; M86-I89 PolarHBondContact O-N 2.99Å; M86-I90 HydrophobicContact CG-CD1 3.78Å; M86-I90 WeakPolarHBondContact O-CG1 3.47Å; M86-I90 PolarHBondContact O-N 3.16Å; M86-I90 HydrophobicContact SD-CD1 4.21Å; M86-I166 HydrophobicContact CB-CD1 4.41Å; M86-I166 HydrophobicContact CE-CD1 4.06Å; M86-I166 HydrophobicContact CE-CG1 4.3Å; M86-Y200 HydrophobicContact CE-CD1 3.58Å; M86-Y200 HydrophobicContact CE-CE1 3.65Å; M86-Y200 HydrophobicContact CE-CG 4.15Å; M86-Y200 HydrophobicContact SD-CD1 3.74Å; M86-Y200 HydrophobicContact SD-CE1 4.4Å; M86-Y200 HydrophobicContact SD-CG 3.82Å
87	K	85.3	Confident	85.8	Confident	124 Å²	124	94.7 Å²	94.7	54%	0.539	48%	0.481	S	S	.	.	H	α-helix	trans	-60.6	-33.8	176.6	-73.9	179	-177.6	-177.3	0	113.1	N83 R84 M85 N91	N83-K87 WeakPolarHBondContact O-CG 3.44Å; N83-K87 PolarHBondContact O-N 3.49Å; R84-K87 PolarHBondContact O-N 3.38Å; M85-K87 PolarHBondContact O-N 3.4Å; K87-N91 VanDerWaalsContact O-CB 3.28Å; K87-N91 WeakPolarHBondContact O-CB 3.31Å; K87-N91 PolarHBondContact O-N 2.95Å; K87-N91 PolarHBondContact O-ND2 3.08Å
88	L	86.7	Confident	86.1	Confident	101 Å²	101	92.4 Å²	92.4	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-70.4	-44.5	176.8	-161	165.4	0	0	0	110.8	R84 M85 M86 I90 S92 L93	R84-L88 PolarHBondContact O-N 2.95Å; M85-L88 WeakPolarHBondContact O-CB 3.29Å; M85-L88 PolarHBondContact O-N 3.09Å; M86-L88 VanDerWaalsContact C-N 3.26Å; M86-L88 PolarHBondContact O-N 3.22Å; L88-I90 VanDerWaalsContact C-N 3.31Å; L88-I90 PolarHBondContact O-N 2.6Å; L88-S92 WeakPolarHBondContact O-CA 3.4Å; L88-S92 WeakPolarHBondContact O-CB 3.34Å; L88-S92 PolarHBondContact O-N 3.49Å; L88-L93 PolarHBondContact O-N 3.15Å
89	I	85.6	Confident	86.3	Confident	12 Å²	12	82 Å²	82	6%	0.062	41%	0.41	C	S	.	.	H	α-helix	trans	-59.1	-45	176	-67.6	167	0	0	0	110.6	M85 M86 L93 Y94 I166 V197	M85-I89 HydrophobicContact CG-CD1 4.23Å; M85-I89 WeakPolarHBondContact O-CG1 3.37Å; M85-I89 PolarHBondContact O-N 3.38Å; M86-I89 PolarHBondContact O-N 2.99Å; I89-L93 HydrophobicContact CG1-CD2 4.48Å; I89-L93 HydrophobicContact CG2-CD2 4.08Å; I89-L93 VanDerWaalsContact O-CB 3.3Å; I89-L93 WeakPolarHBondContact O-CB 3.09Å; I89-Y94 HydrophobicContact CG2-CE2 4.45Å; I89-I166 HydrophobicContact CD1-CD1 4.41Å; I89-I166 HydrophobicContact CD1-CG2 3.53Å; I89-V197 HydrophobicContact CD1-CB 4.4Å; I89-V197 HydrophobicContact CD1-CG1 4.08Å
90	I	85.1	Confident	86.8	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.067	37%	0.367	C	S	.	.	H	α-helix	trans	-72.6	-48	-178.6	-61.4	166.6	0	0	0	111	M86 L88 F203 L204	M86-I90 HydrophobicContact CG-CD1 3.78Å; M86-I90 WeakPolarHBondContact O-CG1 3.47Å; M86-I90 PolarHBondContact O-N 3.16Å; M86-I90 HydrophobicContact SD-CD1 4.21Å; L88-I90 VanDerWaalsContact C-N 3.31Å; L88-I90 PolarHBondContact O-N 2.6Å; I90-F203 HydrophobicContact CD1-CB 3.56Å; I90-F203 HydrophobicContact CD1-CG 4.23Å; I90-F203 HydrophobicContact CG1-CB 3.92Å; I90-F203 HydrophobicContact CG2-CB 4.47Å; I90-L204 HydrophobicContact CG2-CD2 4.37Å; I90-L204 WeakPolarHBondContact O-CD2 3.43Å
91	N	82.8	Confident	87.3	Confident	117 Å²	117	69.8 Å²	69.8	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-97.5	-14.9	-167.1	-60.6	-55.1	0	0	0	115.1	K87	K87-N91 VanDerWaalsContact O-CB 3.28Å; K87-N91 WeakPolarHBondContact O-CB 3.31Å; K87-N91 PolarHBondContact O-N 2.95Å; K87-N91 PolarHBondContact O-ND2 3.08Å
92	S	84.3	Confident	87.7	Confident	91 Å²	91	64.7 Å²	64.7	64%	0.636	32%	0.318	S	S	*	.	H	α-helix	trans	-132.2	-15.9	-167.2	-54.7	0	0	0	0	114.9	L88	L88-S92 WeakPolarHBondContact O-CA 3.4Å; L88-S92 WeakPolarHBondContact O-CB 3.34Å; L88-S92 PolarHBondContact O-N 3.49Å
93	L	84.9	Confident	88.1	Confident	44 Å²	44	61 Å²	61	23%	0.23	30%	0.295	C	S	.	.	S	Bend	trans	-79.8	-34.4	-177.3	-171.4	61.7	0	0	0	113	L88 I89 V197 V446	L88-L93 PolarHBondContact O-N 3.15Å; I89-L93 HydrophobicContact CG1-CD2 4.48Å; I89-L93 HydrophobicContact CG2-CD2 4.08Å; I89-L93 VanDerWaalsContact O-CB 3.3Å; I89-L93 WeakPolarHBondContact O-CB 3.09Å; L93-V197 HydrophobicContact CD2-CG2 4.32Å; L93-V446 HydrophobicContact CD1-CB 3.94Å; L93-V446 HydrophobicContact CD1-CG1 3.78Å; L93-V446 HydrophobicContact CD2-CG1 3.85Å; L93-V446 HydrophobicContact CG-CG1 4.27Å
94	Y	86.2	Confident	88.7	Confident	18 Å²	18	57 Å²	57	7%	0.071	27%	0.274	C	S	.	.			trans	-116.7	135.6	-170.5	-58.6	-66.9	0	0	0	110.6	I89 I99 L204	I89-Y94 HydrophobicContact CG2-CE2 4.45Å; Y94-I99 HydrophobicContact CD1-CD1 2.88Å; Y94-I99 HydrophobicContact CD1-CG1 4.36Å; Y94-I99 HydrophobicContact CD2-CD1 3.78Å; Y94-I99 HydrophobicContact CE1-CD1 3.25Å; Y94-I99 HydrophobicContact CE2-CD1 4.1Å; Y94-I99 HydrophobicContact CG-CD1 3.13Å; Y94-I99 HydrophobicContact CG-CG1 4.42Å; Y94-L204 HydrophobicContact CD2-CD1 3.93Å; Y94-L204 HydrophobicContact CG-CD1 4.33Å
95	K	85.3	Confident	89.2	Confident	188 Å²	188	49 Å²	49	82%	0.817	24%	0.244	S	C	*	.	S	Bend	trans	-83.3	-44.9	176.3	-70.6	-175.7	178.3	-178.7	0	111.4
96	N	89.1	Confident	89.6	Confident	74 Å²	74	45.4 Å²	45.4	40%	0.396	23%	0.227	S	C	.	.			trans	-101.2	130	-177.6	-54.4	-56.3	0	0	0	109.7	E98 I99 E449	N96-E98 HydrophobicContact CB-CG 4.07Å; N96-E98 PolarHBondContact O-N 3.13Å; N96-I99 HydrophobicContact CB-CG2 4.41Å; N96-I99 WeakPolarHBondContact O-CG1 3.38Å; N96-E449 PolarHBondContact ND2-OE1 3.45Å
97	K	92.4	Very high	90	Very high	98 Å²	98	47.1 Å²	47.1	43%	0.426	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24.2	177.4	-66.5	-172.9	179.8	-176.6	0	112.6	I99 F100 L204 V205 E254	K97-I99 PolarHBondContact O-N 3.43Å; K97-I99 VanDerWaalsContact O-N 3.14Å; K97-F100 WeakPolarHBondContact O-CD1 3.38Å; K97-F100 PolarHBondContact O-N 3.3Å; K97-L204 HydrophobicContact CB-CB 4.44Å; K97-L204 HydrophobicContact CG-CB 4.44Å; K97-V205 HydrophobicContact CB-CG1 4.09Å; K97-E254 IonicContact NZ-OE1 3.75Å; K97-E254 PolarHBondContact NZ-OE1 3.39Å; K97-E254 VanDerWaalsContact NZ-OE1 3.08Å
98	E	93.4	Very high	90.5	Very high	40 Å²	40	41.3 Å²	41.3	19%	0.187	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.3	-172.8	77.6	-179.1	142.4	0	0	114.7	N96 F100 Y258 L267 K270 Y271	N96-E98 HydrophobicContact CB-CG 4.07Å; N96-E98 PolarHBondContact O-N 3.13Å; E98-F100 PolarHBondContact O-N 3.4Å; E98-F100 VanDerWaalsContact O-N 3.15Å; E98-Y258 HydrophobicContact CB-CE1 4.35Å; E98-Y258 PolarHBondContact N-OH 2.74Å; E98-L267 HydrophobicContact CB-CD2 3.58Å; E98-L267 HydrophobicContact CG-CD2 4.08Å; E98-L267 WeakPolarHBondContact OE2-CD2 3.47Å; E98-K270 IonicContact OE1-NZ 3.72Å; E98-K270 PolarHBondContact OE1-NZ 2.94Å; E98-K270 IonicContact OE2-NZ 2.75Å; E98-K270 PolarHBondContact OE2-NZ 2.99Å; E98-Y271 HydrophobicContact CG-CE2 3.83Å; E98-Y271 WeakPolarHBondContact CG-OH 3.37Å; E98-Y271 PolarHBondContact OE1-OH 2.95Å
99	I	91.4	Very high	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-16.5	-178.4	65.8	166.3	0	0	0	113.8	Y94 N96 K97 L101 R102 E103 L204	Y94-I99 HydrophobicContact CD1-CD1 2.88Å; Y94-I99 HydrophobicContact CD1-CG1 4.36Å; Y94-I99 HydrophobicContact CD2-CD1 3.78Å; Y94-I99 HydrophobicContact CE1-CD1 3.25Å; Y94-I99 HydrophobicContact CE2-CD1 4.1Å; Y94-I99 HydrophobicContact CG-CD1 3.13Å; Y94-I99 HydrophobicContact CG-CG1 4.42Å; N96-I99 HydrophobicContact CB-CG2 4.41Å; N96-I99 WeakPolarHBondContact O-CG1 3.38Å; K97-I99 PolarHBondContact O-N 3.43Å; K97-I99 VanDerWaalsContact O-N 3.14Å; I99-L101 PolarHBondContact O-N 3.16Å; I99-R102 WeakPolarHBondContact O-CA 3.42Å; I99-R102 VanDerWaalsContact O-CB 3.31Å; I99-R102 WeakPolarHBondContact O-CB 3.06Å; I99-R102 PolarHBondContact O-N 3.29Å; I99-E103 PolarHBondContact O-N 2.82Å; I99-L204 HydrophobicContact CD1-CD1 4.15Å; I99-L204 HydrophobicContact CG1-CD1 3.99Å
100	F	95.2	Very high	91.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.1	-41	-175.4	79.3	-83.1	0	0	0	109.7	K97 E98 R102 E103 L104 L145 S201 V205 L249 Y258	K97-F100 WeakPolarHBondContact O-CD1 3.38Å; K97-F100 PolarHBondContact O-N 3.3Å; E98-F100 PolarHBondContact O-N 3.4Å; E98-F100 VanDerWaalsContact O-N 3.15Å; F100-R102 PolarHBondContact O-N 3.36Å; F100-E103 PolarHBondContact O-N 3.25Å; F100-L104 HydrophobicContact CD2-CD1 4.16Å; F100-L104 VanDerWaalsContact O-CG 3.3Å; F100-L104 WeakPolarHBondContact O-CG 3.17Å; F100-L104 PolarHBondContact O-N 2.91Å; F100-L145 HydrophobicContact CE2-CD2 3.61Å; F100-L145 HydrophobicContact CZ-CD2 3.75Å; F100-S201 WeakPolarHBondContact CB-O 3.48Å; F100-V205 HydrophobicContact CB-CG2 4.3Å; F100-V205 HydrophobicContact CD1-CB 4.43Å; F100-V205 HydrophobicContact CD1-CG1 3.84Å; F100-V205 HydrophobicContact CD1-CG2 3.73Å; F100-V205 HydrophobicContact CD2-CG2 3.75Å; F100-V205 HydrophobicContact CE1-CG1 4.11Å; F100-V205 HydrophobicContact CE1-CG2 3.96Å; F100-V205 HydrophobicContact CE2-CG2 3.99Å; F100-V205 HydrophobicContact CG-CG1 4.44Å; F100-V205 HydrophobicContact CG-CG2 3.62Å; F100-V205 HydrophobicContact CZ-CG2 4.08Å; F100-L249 HydrophobicContact CD2-CD2 3.75Å; F100-L249 HydrophobicContact CE2-CD2 3.88Å; F100-Y258 AromaticContact CE1-CD1 3.68Å; F100-Y258 HydrophobicContact CE1-CD1 3.68Å; F100-Y258 HydrophobicContact CE1-CD2 4.21Å; F100-Y258 AromaticContact CE1-CE1 3.75Å; F100-Y258 HydrophobicContact CE1-CE1 3.75Å; F100-Y258 HydrophobicContact CE1-CE2 4.31Å; F100-Y258 AromaticContact CE1-CG 3.91Å; F100-Y258 HydrophobicContact CE1-CG 3.91Å; F100-Y258 HydrophobicContact CZ-CD1 4.09Å; F100-Y258 HydrophobicContact CZ-CG 4.11Å
101	L	95.7	Very high	91.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-67.7	-37.5	-179.8	-168.3	62.4	0	0	0	111.5	I99 L104 I105 I136 V147 I264 L267 V268	I99-L101 PolarHBondContact O-N 3.16Å; L101-L104 PolarHBondContact O-N 3.29Å; L101-I105 HydrophobicContact CD1-CD1 4.23Å; L101-I105 HydrophobicContact CD1-CG1 4.37Å; L101-I105 HydrophobicContact CD2-CD1 4.46Å; L101-I105 HydrophobicContact CG-CD1 3.83Å; L101-I105 HydrophobicContact CG-CG1 4.38Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.41Å; L101-I136 HydrophobicContact CD1-CD1 4.22Å; L101-V147 HydrophobicContact CD1-CG2 4Å; L101-I264 HydrophobicContact CD2-CD1 4.01Å; L101-I264 HydrophobicContact CD2-CG2 4.33Å; L101-L267 HydrophobicContact CD2-CB 3.84Å; L101-L267 HydrophobicContact CD2-CD1 4.46Å; L101-V268 HydrophobicContact CD2-CG2 3.92Å
102	R	94.6	Very high	92.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-47.8	172.9	178.3	-166.8	73.6	-169.4	-3.2	111.1	I99 F100 S106 Y271 V416 S447 R448	I99-R102 WeakPolarHBondContact O-CA 3.42Å; I99-R102 VanDerWaalsContact O-CB 3.31Å; I99-R102 WeakPolarHBondContact O-CB 3.06Å; I99-R102 PolarHBondContact O-N 3.29Å; F100-R102 PolarHBondContact O-N 3.36Å; R102-S106 VanDerWaalsContact O-CB 3.32Å; R102-S106 WeakPolarHBondContact O-CB 3.48Å; R102-S106 PolarHBondContact O-N 3.38Å; R102-S106 PolarHBondContact O-OG 3.31Å; R102-Y271 HydrophobicContact CB-CD1 4.31Å; R102-Y271 HydrophobicContact CB-CD2 4.44Å; R102-Y271 HydrophobicContact CB-CG 3.96Å; R102-Y271 HydrophobicContact CG-CD1 4.24Å; R102-Y271 HydrophobicContact CG-CG 4.22Å; R102-V416 HydrophobicContact CG-CG1 3.92Å; R102-S447 PolarHBondContact NH2-O 3.02Å; R102-R448 PolarHBondContact NH1-O 3.26Å
103	E	93.6	Very high	92.5	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.033	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-42.5	-179.9	-63.6	-58.7	133.5	0	0	111.5	I99 F100 S106 N107 G198 S201	I99-E103 PolarHBondContact O-N 2.82Å; F100-E103 PolarHBondContact O-N 3.25Å; E103-S106 PolarHBondContact O-N 3.07Å; E103-N107 VanDerWaalsContact O-CG 3.23Å; E103-N107 PolarHBondContact O-N 3.32Å; E103-N107 PolarHBondContact O-ND2 3.2Å; E103-G198 WeakPolarHBondContact CB-O 3.28Å; E103-G198 WeakPolarHBondContact OE2-CA 3.36Å; E103-S201 WeakPolarHBondContact CB-OG 3.31Å; E103-S201 WeakPolarHBondContact CG-OG 3.34Å
104	L	95.9	Very high	92.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-64.9	-44.6	178.4	-66.5	-175	0	0	0	112.5	F100 L101 S106 N107 A108 V147 F199 I247 L249	F100-L104 HydrophobicContact CD2-CD1 4.16Å; F100-L104 VanDerWaalsContact O-CG 3.3Å; F100-L104 WeakPolarHBondContact O-CG 3.17Å; F100-L104 PolarHBondContact O-N 2.91Å; L101-L104 PolarHBondContact O-N 3.29Å; L104-S106 VanDerWaalsContact C-N 3.33Å; L104-N107 PolarHBondContact O-N 2.8Å; L104-A108 PolarHBondContact O-N 3.3Å; L104-V147 HydrophobicContact CB-CG1 4.44Å; L104-V147 HydrophobicContact CD1-CG2 4.08Å; L104-F199 HydrophobicContact CD2-CD2 4.45Å; L104-I247 HydrophobicContact CD1-CG2 4.3Å; L104-I247 HydrophobicContact CD2-CD1 3.78Å; L104-I247 HydrophobicContact CD2-CG2 4.33Å; L104-L249 HydrophobicContact CD1-CD1 3.78Å; L104-L249 HydrophobicContact CD1-CD2 4.11Å; L104-L249 HydrophobicContact CD1-CG 4.46Å
105	I	95.8	Very high	93.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-66.8	-37.2	176.6	-63.1	169.4	0	0	0	110.6	L101 N107 A108 S109 I136 V268 I275 I279	L101-I105 HydrophobicContact CD1-CD1 4.23Å; L101-I105 HydrophobicContact CD1-CG1 4.37Å; L101-I105 HydrophobicContact CD2-CD1 4.46Å; L101-I105 HydrophobicContact CG-CD1 3.83Å; L101-I105 HydrophobicContact CG-CG1 4.38Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CG1 3.48Å; L101-I105 PolarHBondContact O-N 3.41Å; I105-N107 VanDerWaalsContact C-N 3.34Å; I105-N107 PolarHBondContact O-N 3.2Å; I105-A108 WeakPolarHBondContact O-CB 3.45Å; I105-A108 PolarHBondContact O-N 2.88Å; I105-S109 PolarHBondContact O-N 3.29Å; I105-I136 HydrophobicContact CD1-CD1 3.92Å; I105-I136 HydrophobicContact CG1-CD1 4.33Å; I105-V268 HydrophobicContact CD1-CG2 4Å; I105-I275 HydrophobicContact CB-CD1 4.41Å; I105-I275 HydrophobicContact CG2-CD1 3.44Å; I105-I275 VanDerWaalsContact CG2-CD1 3.44Å; I105-I279 HydrophobicContact CG2-CD1 3.68Å; I105-I279 HydrophobicContact CG2-CG1 4.38Å
106	S	93.3	Very high	93.3	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	9%	0.093	C	C	.	.	H	α-helix	trans	-62.3	-42.3	176	-58.5	0	0	0	0	111.5	R102 E103 L104 S109 D110	R102-S106 VanDerWaalsContact O-CB 3.32Å; R102-S106 WeakPolarHBondContact O-CB 3.48Å; R102-S106 PolarHBondContact O-N 3.38Å; R102-S106 PolarHBondContact O-OG 3.31Å; E103-S106 PolarHBondContact O-N 3.07Å; L104-S106 VanDerWaalsContact C-N 3.33Å; S106-S109 WeakPolarHBondContact O-CB 3.18Å; S106-S109 PolarHBondContact O-N 3.23Å; S106-D110 PolarHBondContact O-N 3.47Å
107	N	94.3	Very high	93.2	Very high	54 Å²	54	16.1 Å²	16.1	29%	0.289	8%	0.077	S	C	.	.	H	α-helix	trans	-64.4	-40.1	175.1	-67.8	-28.8	0	0	0	112.1	E103 L104 I105 D110 A111	E103-N107 VanDerWaalsContact O-CG 3.23Å; E103-N107 PolarHBondContact O-N 3.32Å; E103-N107 PolarHBondContact O-ND2 3.2Å; L104-N107 PolarHBondContact O-N 2.8Å; I105-N107 VanDerWaalsContact C-N 3.34Å; I105-N107 PolarHBondContact O-N 3.2Å; N107-D110 PolarHBondContact O-N 3.4Å; N107-A111 WeakPolarHBondContact O-CB 3.02Å; N107-A111 PolarHBondContact O-N 2.83Å
108	A	95.7	Very high	93	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.017	7%	0.068	C	C	.	.	H	α-helix	trans	-62.2	-43.6	174.4	0	0	0	0	0	111.5	L104 I105 A111 L112 V134 D149	L104-A108 PolarHBondContact O-N 3.3Å; I105-A108 WeakPolarHBondContact O-CB 3.45Å; I105-A108 PolarHBondContact O-N 2.88Å; A108-A111 PolarHBondContact O-N 2.94Å; A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.45Å; A108-L112 PolarHBondContact O-N 3.04Å; A108-V134 HydrophobicContact CB-CG1 4.2Å; A108-V134 HydrophobicContact CB-CG2 3.74Å; A108-D149 HydrophobicContact CB-CB 3.67Å
109	S	93.6	Very high	92.9	Very high	4 Å²	4	13.5 Å²	13.5	3%	0.028	7%	0.071	C	C	.	.	H	α-helix	trans	-60.2	-46	174.7	-170	0	0	0	0	111.8	I105 S106 A111 L112 D113 I275	I105-S109 PolarHBondContact O-N 3.29Å; S106-S109 WeakPolarHBondContact O-CB 3.18Å; S106-S109 PolarHBondContact O-N 3.23Å; S109-A111 VanDerWaalsContact C-N 3.27Å; S109-A111 PolarHBondContact O-N 2.98Å; S109-L112 PolarHBondContact O-N 3.42Å; S109-D113 PolarHBondContact O-N 3.32Å; S109-I275 WeakPolarHBondContact OG-CG2 3.37Å
110	D	92.7	Very high	92.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-39.4	175.8	-77.2	-8.7	0	0	0	111.7	S106 N107 D113 K114 T171 L191 I192 G193	S106-D110 PolarHBondContact O-N 3.47Å; N107-D110 PolarHBondContact O-N 3.4Å; D110-D113 PolarHBondContact O-N 2.97Å; D110-K114 WeakPolarHBondContact O-CB 2.87Å; D110-K114 VanDerWaalsContact O-CG 3.25Å; D110-K114 WeakPolarHBondContact O-CG 3.41Å; D110-K114 PolarHBondContact O-N 3.28Å; D110-T171 HydrophobicContact CB-CG2 4.41Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.49Å; D110-T171 PolarHBondContact OD2-OG1 3.24Å; D110-L191 HydrophobicContact CB-CD2 4.19Å; D110-L191 WeakPolarHBondContact OD1-CA 3.42Å; D110-I192 PolarHBondContact OD1-N 3.13Å; D110-G193 WeakPolarHBondContact OD2-CA 3.46Å; D110-G193 PolarHBondContact OD2-N 2.86Å
111	A	94.3	Very high	92.2	Very high	14 Å²	14	24.2 Å²	24.2	12%	0.116	13%	0.131	C	C	.	.	H	α-helix	trans	-67.7	-36.3	178	0	0	0	0	0	112.2	N107 A108 S109 I115 G151 V152	N107-A111 WeakPolarHBondContact O-CB 3.02Å; N107-A111 PolarHBondContact O-N 2.83Å; A108-A111 PolarHBondContact O-N 2.94Å; S109-A111 VanDerWaalsContact C-N 3.27Å; S109-A111 PolarHBondContact O-N 2.98Å; A111-I115 PolarHBondContact O-N 2.79Å; A111-G151 WeakPolarHBondContact O-CA 3.35Å; A111-V152 HydrophobicContact CB-CG1 4.5Å; A111-V152 PolarHBondContact O-N 3.41Å
112	L	94.1	Very high	91.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-69.2	-41.8	174.4	-69.4	169.6	0	0	0	111.6	A108 S109 I115 R116 L132 V134 T150 F277	A108-L112 VanDerWaalsContact O-CG 3.3Å; A108-L112 WeakPolarHBondContact O-CG 3.45Å; A108-L112 PolarHBondContact O-N 3.04Å; S109-L112 PolarHBondContact O-N 3.42Å; L112-I115 WeakPolarHBondContact O-CG2 3.29Å; L112-I115 PolarHBondContact O-N 3.09Å; L112-R116 WeakPolarHBondContact O-CB 3.36Å; L112-R116 PolarHBondContact O-N 3.25Å; L112-L132 HydrophobicContact CD2-CB 3.95Å; L112-L132 HydrophobicContact CD2-CD2 3.86Å; L112-L132 HydrophobicContact CD2-CG 4.5Å; L112-V134 HydrophobicContact CD1-CG2 3.64Å; L112-T150 WeakPolarHBondContact CD2-OG1 3.32Å; L112-F277 HydrophobicContact CB-CD1 4.02Å; L112-F277 HydrophobicContact CB-CD2 3.72Å; L112-F277 HydrophobicContact CB-CE1 3.87Å; L112-F277 HydrophobicContact CB-CE2 3.55Å; L112-F277 HydrophobicContact CB-CG 3.94Å; L112-F277 HydrophobicContact CB-CZ 3.63Å; L112-F277 HydrophobicContact CD1-CB 3.64Å; L112-F277 HydrophobicContact CD1-CD1 4.07Å; L112-F277 HydrophobicContact CD1-CD2 3.9Å; L112-F277 HydrophobicContact CD1-CG 3.59Å; L112-F277 HydrophobicContact CG-CD2 4.47Å; L112-F277 HydrophobicContact CG-CG 4.38Å
113	D	90.9	Very high	91.4	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-38	175.6	-86.9	-32.8	0	0	0	112.3	S109 D110 R116 L117 E190 L191 F277	S109-D113 PolarHBondContact O-N 3.32Å; D110-D113 PolarHBondContact O-N 2.97Å; D113-R116 WeakPolarHBondContact O-CB 3.35Å; D113-R116 PolarHBondContact O-N 2.83Å; D113-R116 IonicContact OD1-CZ 3.55Å; D113-R116 IonicContact OD1-NE 2.76Å; D113-R116 IonicContact OD1-NH1 3.79Å; D113-R116 PolarHBondContact OD1-NH1 3.31Å; D113-R116 IonicContact OD1-NH2 2.64Å; D113-R116 PolarHBondContact OD1-NH2 2.83Å; D113-L117 WeakPolarHBondContact O-CB 3.42Å; D113-L117 WeakPolarHBondContact O-CG 3.49Å; D113-L117 PolarHBondContact O-N 2.69Å; D113-E190 WeakPolarHBondContact OD2-CB 3.4Å; D113-L191 HydrophobicContact CB-CD2 4.18Å; D113-F277 HydrophobicContact CB-CE2 4.33Å; D113-F277 HydrophobicContact CB-CZ 4.47Å; D113-F277 VanDerWaalsContact OD1-CE2 3.27Å; D113-F277 WeakPolarHBondContact OD1-CE2 3.48Å; D113-F277 WeakPolarHBondContact OD1-CZ 3.25Å
114	K	90.7	Very high	91.1	Very high	29 Å²	29	41.7 Å²	41.7	13%	0.126	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-49.6	174	-76.8	173.1	-167.2	175	0	111.8	D110 R116 L117 I118 V152 T171 F174 L191	D110-K114 WeakPolarHBondContact O-CB 2.87Å; D110-K114 VanDerWaalsContact O-CG 3.25Å; D110-K114 WeakPolarHBondContact O-CG 3.41Å; D110-K114 PolarHBondContact O-N 3.28Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 2.59Å; K114-L117 PolarHBondContact O-N 2.82Å; K114-I118 WeakPolarHBondContact O-CD1 3.43Å; K114-I118 VanDerWaalsContact O-CG1 3.23Å; K114-I118 WeakPolarHBondContact O-CG1 3.25Å; K114-I118 PolarHBondContact O-N 3.16Å; K114-V152 HydrophobicContact CB-CB 4.29Å; K114-V152 HydrophobicContact CB-CG1 3.94Å; K114-V152 HydrophobicContact CD-CG1 4.13Å; K114-T171 WeakPolarHBondContact CE-OG1 3.38Å; K114-T171 VanDerWaalsContact NZ-CA 3.34Å; K114-T171 PolarHBondContact NZ-OG1 2.88Å; K114-F174 HydrophobicContact CB-CZ 4.46Å; K114-F174 HydrophobicContact CD-CD2 4.43Å; K114-F174 HydrophobicContact CD-CG 4.3Å; K114-F174 HydrophobicContact CG-CD1 3.96Å; K114-F174 HydrophobicContact CG-CD2 4.2Å; K114-F174 HydrophobicContact CG-CE1 4.07Å; K114-F174 HydrophobicContact CG-CE2 4.29Å; K114-F174 HydrophobicContact CG-CG 4.03Å; K114-F174 HydrophobicContact CG-CZ 4.23Å; K114-L191 HydrophobicContact CG-CD2 4.41Å
115	I	92.4	Very high	90.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-35.1	179.3	-168.1	65.4	0	0	0	111.4	A111 L112 I118 S119 A125 L126 L132 V152	A111-I115 PolarHBondContact O-N 2.79Å; L112-I115 WeakPolarHBondContact O-CG2 3.29Å; L112-I115 PolarHBondContact O-N 3.09Å; I115-I118 PolarHBondContact O-N 3.42Å; I115-S119 WeakPolarHBondContact O-CB 3.31Å; I115-S119 PolarHBondContact O-N 3Å; I115-S119 PolarHBondContact O-OG 3.22Å; I115-A125 HydrophobicContact CD1-CB 3.98Å; I115-L126 HydrophobicContact CG1-CD2 4.07Å; I115-L132 HydrophobicContact CG2-CD2 3.66Å; I115-V152 HydrophobicContact CB-CB 4.04Å; I115-V152 HydrophobicContact CD1-CB 4.46Å; I115-V152 HydrophobicContact CD1-CG2 4.31Å
116	R	90.6	Very high	90.3	Very high	65 Å²	65	43.9 Å²	43.9	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-47.2	173.5	-169.1	-171	76.2	-169.7	4.1	111.2	L112 D113 K114 S119 L120 L132 E190 N276	L112-R116 WeakPolarHBondContact O-CB 3.36Å; L112-R116 PolarHBondContact O-N 3.25Å; D113-R116 WeakPolarHBondContact O-CB 3.35Å; D113-R116 PolarHBondContact O-N 2.83Å; D113-R116 IonicContact OD1-CZ 3.55Å; D113-R116 IonicContact OD1-NE 2.76Å; D113-R116 IonicContact OD1-NH1 3.79Å; D113-R116 PolarHBondContact OD1-NH1 3.31Å; D113-R116 IonicContact OD1-NH2 2.64Å; D113-R116 PolarHBondContact OD1-NH2 2.83Å; K114-R116 VanDerWaalsContact C-N 3.31Å; K114-R116 PolarHBondContact O-N 2.59Å; R116-S119 PolarHBondContact O-N 3.12Å; R116-S119 PolarHBondContact O-OG 3.37Å; R116-L120 PolarHBondContact O-N 2.95Å; R116-L132 HydrophobicContact CB-CD1 4.32Å; R116-L132 HydrophobicContact CG-CD1 4.5Å; R116-E190 IonicContact CZ-OE2 2.7Å; R116-E190 IonicContact NH1-OE2 3.28Å; R116-E190 PolarHBondContact NH1-OE2 3.01Å; R116-E190 IonicContact NH2-OE2 3.23Å; R116-E190 PolarHBondContact NH2-OE2 3.39Å; R116-N276 PolarHBondContact NH1-ND2 3.42Å
117	L	87.4	Confident	89.7	Confident	11 Å²	11	48.2 Å²	48.2	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-65.2	-41.2	177.6	-70.4	172.6	0	0	0	112.3	D113 K114 S119 L120 F174	D113-L117 WeakPolarHBondContact O-CB 3.42Å; D113-L117 WeakPolarHBondContact O-CG 3.49Å; D113-L117 PolarHBondContact O-N 2.69Å; K114-L117 PolarHBondContact O-N 2.82Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.38Å; L117-L120 HydrophobicContact CD2-CD1 4.23Å; L117-L120 WeakPolarHBondContact O-CB 3.31Å; L117-L120 PolarHBondContact O-N 2.87Å; L117-F174 HydrophobicContact CB-CZ 4.33Å; L117-F174 HydrophobicContact CD1-CE1 3.8Å; L117-F174 HydrophobicContact CD1-CZ 4.35Å
118	I	88.3	Confident	88.7	Confident	50 Å²	50	47.6 Å²	47.6	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-37.6	174.9	-65.1	162.8	0	0	0	110.5	K114 I115 L120 T121 D122 A125 V152 F174	K114-I118 WeakPolarHBondContact O-CD1 3.43Å; K114-I118 VanDerWaalsContact O-CG1 3.23Å; K114-I118 WeakPolarHBondContact O-CG1 3.25Å; K114-I118 PolarHBondContact O-N 3.16Å; I115-I118 PolarHBondContact O-N 3.42Å; I118-L120 PolarHBondContact O-N 3.12Å; I118-T121 PolarHBondContact O-N 3.11Å; I118-T121 PolarHBondContact O-OG1 3.38Å; I118-T121 VanDerWaalsContact O-OG1 3.08Å; I118-D122 HydrophobicContact CG2-CB 4.41Å; I118-D122 PolarHBondContact O-N 3.43Å; I118-A125 HydrophobicContact CG2-CB 3.96Å; I118-V152 HydrophobicContact CD1-CG2 3.88Å; I118-F174 HydrophobicContact CD1-CE2 4.33Å; I118-F174 HydrophobicContact CG1-CE2 4.32Å; I118-F174 HydrophobicContact CG1-CZ 4.49Å
119	S	90.1	Very high	88.1	Confident	33 Å²	33	49.6 Å²	49.6	23%	0.231	28%	0.277	C	S	.	.	H	α-helix	trans	-66.2	-18.1	179.1	74.6	0	0	0	0	114	I115 R116 L117 T121	I115-S119 WeakPolarHBondContact O-CB 3.31Å; I115-S119 PolarHBondContact O-N 3Å; I115-S119 PolarHBondContact O-OG 3.22Å; R116-S119 PolarHBondContact O-N 3.12Å; R116-S119 PolarHBondContact O-OG 3.37Å; L117-S119 VanDerWaalsContact C-N 3.3Å; L117-S119 PolarHBondContact O-N 3.38Å; S119-T121 VanDerWaalsContact C-N 3.27Å
120	L	87.1	Confident	87.9	Confident	115 Å²	115	57.4 Å²	57.4	60%	0.602	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-20.8	172.3	-63.8	172.4	0	0	0	112.7	R116 L117 I118	R116-L120 PolarHBondContact O-N 2.95Å; L117-L120 HydrophobicContact CD2-CD1 4.23Å; L117-L120 WeakPolarHBondContact O-CB 3.31Å; L117-L120 PolarHBondContact O-N 2.87Å; I118-L120 PolarHBondContact O-N 3.12Å
121	T	86	Confident	87.8	Confident	110 Å²	110	62.4 Å²	62.4	68%	0.675	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	-20.2	-178.7	57.3	0	0	0	0	113.5	I118 S119	I118-T121 PolarHBondContact O-N 3.11Å; I118-T121 PolarHBondContact O-OG1 3.38Å; I118-T121 VanDerWaalsContact O-OG1 3.08Å; S119-T121 VanDerWaalsContact C-N 3.27Å
122	D	86.5	Confident	87.8	Confident	71 Å²	71	63.5 Å²	63.5	38%	0.38	34%	0.34	S	S	.	.			trans	-129.5	110.9	177.7	179.9	5.7	0	0	0	111.5	I118 N124 A125	I118-D122 HydrophobicContact CG2-CB 4.41Å; I118-D122 PolarHBondContact O-N 3.43Å; D122-N124 PolarHBondContact O-N 3.34Å; D122-N124 PolarHBondContact OD1-N 2.97Å; D122-A125 HydrophobicContact CB-CB 4.31Å; D122-A125 VanDerWaalsContact O-CB 3.28Å; D122-A125 WeakPolarHBondContact O-CB 3.4Å; D122-A125 PolarHBondContact O-N 3.16Å
123	E	85.3	Confident	87.9	Confident	193 Å²	193	64 Å²	64	90%	0.902	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.2	179.6	-63.9	-173.9	168.2	0	0	113.3
124	N	88.1	Confident	88.3	Confident	113 Å²	113	63.8 Å²	63.8	60%	0.604	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-3.6	-178.7	-65.4	-61	0	0	0	113.4	D122 L126 S127	D122-N124 PolarHBondContact O-N 3.34Å; D122-N124 PolarHBondContact OD1-N 2.97Å; N124-L126 PolarHBondContact O-N 2.94Å; N124-S127 VanDerWaalsContact O-CB 3.31Å; N124-S127 WeakPolarHBondContact O-CB 3.19Å; N124-S127 PolarHBondContact O-N 3.38Å; N124-S127 VanDerWaalsContact O-N 3.16Å; N124-S127 PolarHBondContact O-OG 3.37Å
125	A	87.3	Confident	88.6	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.008	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.2	-175.7	0	0	0	0	0	113	I115 I118 D122 N216	I115-A125 HydrophobicContact CD1-CB 3.98Å; I118-A125 HydrophobicContact CG2-CB 3.96Å; D122-A125 HydrophobicContact CB-CB 4.31Å; D122-A125 VanDerWaalsContact O-CB 3.28Å; D122-A125 WeakPolarHBondContact O-CB 3.4Å; D122-A125 PolarHBondContact O-N 3.16Å; A125-N216 PolarHBondContact O-ND2 3.31Å
126	L	88.6	Confident	88.8	Confident	47 Å²	47	64.8 Å²	64.8	25%	0.246	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.5	-177.2	-65.2	172.8	0	0	0	114.3	I115 N124 G128 N129 L132 R243	I115-L126 HydrophobicContact CG1-CD2 4.07Å; N124-L126 PolarHBondContact O-N 2.94Å; L126-G128 PolarHBondContact O-N 3.32Å; L126-N129 CarbonylContact O-C 3.6Å; L126-N129 PolarHBondContact O-N 3.02Å; L126-N129 VanDerWaalsContact O-O 3.09Å; L126-L132 HydrophobicContact CD2-CD2 4.12Å; L126-R243 PolarHBondContact O-NH1 2.97Å
127	S	80	Confident	89.1	Confident	95 Å²	95	66.1 Å²	66.1	66%	0.664	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.5	-172.3	58.3	0	0	0	0	115.7	N124	N124-S127 VanDerWaalsContact O-CB 3.31Å; N124-S127 WeakPolarHBondContact O-CB 3.19Å; N124-S127 PolarHBondContact O-N 3.38Å; N124-S127 VanDerWaalsContact O-N 3.16Å; N124-S127 PolarHBondContact O-OG 3.37Å
128	G	73.6	Confident	89.5	Confident	40 Å²	40	66.6 Å²	66.6	41%	0.412	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-31.1	176.8	0	0	0	0	0	114.7	L126	L126-G128 PolarHBondContact O-N 3.32Å
129	N	82.8	Confident	89.7	Confident	45 Å²	45	65.8 Å²	65.8	24%	0.241	35%	0.354	C	S	.	.			trans	-167.9	119.9	178.6	-172.2	-11.4	0	0	0	109.5	L126 E131 T150 R243	L126-N129 CarbonylContact O-C 3.6Å; L126-N129 PolarHBondContact O-N 3.02Å; L126-N129 VanDerWaalsContact O-O 3.09Å; N129-E131 WeakPolarHBondContact OD1-CB 3.25Å; N129-E131 PolarHBondContact OD1-N 3.1Å; N129-T150 VanDerWaalsContact ND2-CG2 3.32Å; N129-T150 WeakPolarHBondContact ND2-CG2 3.25Å; N129-R243 PolarHBondContact O-NH1 3.43Å; N129-R243 PolarHBondContact O-NH2 3.31Å
130	E	88.5	Confident	89.8	Confident	168 Å²	168	69 Å²	69	79%	0.785	37%	0.365	S	S	*	.			trans	-79.3	-21.7	-179.4	-65	179.6	-175.5	0	0	112.8
131	E	91.7	Very high	90	Very high	105 Å²	105	72.2 Å²	72.2	49%	0.491	38%	0.376	S	S	.	.			trans	-71.7	133.1	-179.5	-63.6	-176.3	-179.5	0	0	111.1	N129 T133 K135 T150	N129-E131 WeakPolarHBondContact OD1-CB 3.25Å; N129-E131 PolarHBondContact OD1-N 3.1Å; E131-T133 HydrophobicContact CB-CG2 4.31Å; E131-K135 IonicContact OE2-NZ 2.98Å; E131-K135 PolarHBondContact OE2-NZ 2.8Å; E131-T150 WeakPolarHBondContact O-CB 3.17Å; E131-T150 PolarHBondContact O-OG1 2.98Å
132	L	94.9	Very high	90.4	Very high	37 Å²	37	73.7 Å²	73.7	19%	0.194	37%	0.373	C	S	.	.			trans	-110.8	88.9	172.8	-63.6	-176	0	0	0	109.4	L112 I115 R116 L126 T150 F277	L112-L132 HydrophobicContact CD2-CB 3.95Å; L112-L132 HydrophobicContact CD2-CD2 3.86Å; L112-L132 HydrophobicContact CD2-CG 4.5Å; I115-L132 HydrophobicContact CG2-CD2 3.66Å; R116-L132 HydrophobicContact CB-CD1 4.32Å; R116-L132 HydrophobicContact CG-CD1 4.5Å; L126-L132 HydrophobicContact CD2-CD2 4.12Å; L132-T150 WeakPolarHBondContact CA-OG1 3.45Å; L132-F277 HydrophobicContact CB-CD1 3.96Å; L132-F277 HydrophobicContact CB-CE1 4.08Å; L132-F277 HydrophobicContact CD1-CE1 3.99Å
133	T	96.3	Very high	90.8	Very high	11 Å²	11	72.4 Å²	72.4	7%	0.067	37%	0.366	C	S	.	.			trans	-140.6	156.9	-171.1	64.8	0	0	0	0	112.2	E131 K135 T150 P278 Y280	E131-T133 HydrophobicContact CB-CG2 4.31Å; T133-K135 WeakPolarHBondContact OG1-CE 3.3Å; T133-T150 PolarHBondContact N-OG1 2.61Å; T133-T150 PolarHBondContact O-N 3.37Å; T133-T150 PolarHBondContact O-OG1 3.35Å; T133-P278 HydrophobicContact CG2-CB 4.3Å; T133-Y280 HydrophobicContact CG2-CD2 4.45Å; T133-Y280 HydrophobicContact CG2-CE2 3.74Å
134	V	97.4	Very high	91.3	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	130.3	168.4	-175.9	0	0	0	0	108.2	A108 L112 V147 T148 P278 I279 Y280	A108-V134 HydrophobicContact CB-CG1 4.2Å; A108-V134 HydrophobicContact CB-CG2 3.74Å; L112-V134 HydrophobicContact CD1-CG2 3.64Å; V134-V147 HydrophobicContact CG1-CG1 4.21Å; V134-T148 CarbonylContact C-O 3.5Å; V134-T148 WeakPolarHBondContact CA-O 3.45Å; V134-P278 PolarHBondContact N-O 3.36Å; V134-I279 HydrophobicContact CB-CG1 4.31Å; V134-I279 CarbonylContact O-C 3.48Å; V134-I279 WeakPolarHBondContact O-CA 3.07Å; V134-Y280 PolarHBondContact O-N 3.17Å
135	K	97.6	Very high	91.8	Very high	51 Å²	51	59.2 Å²	59.2	22%	0.222	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.1	-175.5	-71.8	-179.9	-176	169.9	0	109.7	E131 T133 T148 Y280 W333	E131-K135 IonicContact OE2-NZ 2.98Å; E131-K135 PolarHBondContact OE2-NZ 2.8Å; T133-K135 WeakPolarHBondContact OG1-CE 3.3Å; K135-T148 PolarHBondContact N-O 3.27Å; K135-T148 PolarHBondContact O-N 3.37Å; K135-Y280 HydrophobicContact CG-CD2 4.26Å; K135-W333 HydrophobicContact CB-CE3 4.17Å; K135-W333 HydrophobicContact CB-CH2 3.68Å; K135-W333 HydrophobicContact CB-CZ2 4.31Å; K135-W333 HydrophobicContact CB-CZ3 3.59Å; K135-W333 HydrophobicContact CD-CD2 4.34Å; K135-W333 HydrophobicContact CD-CH2 4.41Å; K135-W333 HydrophobicContact CD-CZ2 4.18Å; K135-W333 HydrophobicContact CG-CD2 4.42Å; K135-W333 HydrophobicContact CG-CE3 4.17Å; K135-W333 HydrophobicContact CG-CH2 4.3Å; K135-W333 HydrophobicContact CG-CZ3 4.1Å
136	I	97.8	Very high	92.3	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.8	-178.4	-56	167.1	0	0	0	109.5	L101 I105 L145 H146 I264 V268 I279 Y280 V281 W282 W333	L101-I136 HydrophobicContact CD1-CD1 4.22Å; I105-I136 HydrophobicContact CD1-CD1 3.92Å; I105-I136 HydrophobicContact CG1-CD1 4.33Å; I136-L145 HydrophobicContact CG2-CD1 3.85Å; I136-H146 VanDerWaalsContact CA-O 3.3Å; I136-H146 WeakPolarHBondContact CA-O 3.4Å; I136-I264 HydrophobicContact CG2-CG2 3.92Å; I136-V268 HydrophobicContact CD1-CG2 3.7Å; I136-I279 HydrophobicContact CD1-CG2 3.94Å; I136-Y280 PolarHBondContact N-O 2.81Å; I136-V281 HydrophobicContact CB-CG2 4.21Å; I136-V281 HydrophobicContact CD1-CG2 4.35Å; I136-V281 WeakPolarHBondContact O-CA 3.34Å; I136-W282 PolarHBondContact O-N 3.16Å; I136-W333 WeakPolarHBondContact O-CZ3 3.48Å
137	K	96.9	Very high	92.7	Very high	92 Å²	92	58.9 Å²	58.9	40%	0.4	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.7	180	-179.6	175	179.3	176.2	0	110.8	H146 W282 W333	K137-H146 HydrophobicContact CB-CB 4.42Å; K137-H146 PolarHBondContact N-O 2.89Å; K137-H146 PolarHBondContact O-N 3.05Å; K137-W282 HydrophobicContact CB-CB 4.11Å; K137-W282 HydrophobicContact CD-CG 4.39Å; K137-W282 HydrophobicContact CG-CB 4.01Å; K137-W282 HydrophobicContact CG-CG 4.17Å; K137-W333 HydrophobicContact CB-CH2 4.14Å
138	C	94.2	Very high	93.6	Very high	22 Å²	22	56.2 Å²	56.2	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	138	173.1	-52.6	0	0	0	0	109.7	L145 L259	C138-L145 VanDerWaalsContact SG-CD1 3.59Å; C138-L259 HydrophobicContact CB-CD2 4.45Å
139	D	93.3	Very high	94.7	Very high	32 Å²	32	55 Å²	55	17%	0.171	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	96.2	171.8	-173.8	-25.8	0	0	0	108.1	E141 K142 N143 L144	D139-E141 VanDerWaalsContact C-N 3.3Å; D139-E141 PolarHBondContact O-N 3.46Å; D139-E141 PolarHBondContact OD1-N 3.42Å; D139-E141 VanDerWaalsContact OD1-N 3.14Å; D139-K142 PolarHBondContact OD1-N 2.92Å; D139-N143 PolarHBondContact O-N 3.28Å; D139-L144 HydrophobicContact CB-CB 4.21Å; D139-L144 PolarHBondContact N-O 3.13Å; D139-L144 PolarHBondContact O-N 2.86Å
140	K	91.8	Very high	95.4	Very high	102 Å²	102	53.4 Å²	53.4	44%	0.443	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-32.1	-179.7	-75.5	-175.1	-178.1	-163.1	0	112.6	K142 L259 E260	K140-K142 VanDerWaalsContact C-N 3.34Å; K140-L259 WeakPolarHBondContact CE-O 3.37Å; K140-L259 HydrophobicContact CG-CB 3.9Å; K140-E260 WeakPolarHBondContact CE-OE1 3.4Å; K140-E260 IonicContact NZ-OE1 3.76Å; K140-E260 PolarHBondContact NZ-OE1 3.25Å; K140-E260 IonicContact NZ-OE2 3.93Å; K140-E260 PolarHBondContact NZ-OE2 3.01Å
141	E	91.6	Very high	95.7	Very high	182 Å²	182	45.4 Å²	45.4	85%	0.85	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-36	-176.2	-62.2	-177.2	176.3	0	0	111.5	D139	D139-E141 VanDerWaalsContact C-N 3.3Å; D139-E141 PolarHBondContact O-N 3.46Å; D139-E141 PolarHBondContact OD1-N 3.42Å; D139-E141 VanDerWaalsContact OD1-N 3.14Å
142	K	93.3	Very high	95.8	Very high	141 Å²	141	41.3 Å²	41.3	61%	0.613	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	0.4	-178.8	-62.7	-179.9	-171.9	158.6	0	113.9	D139 K140 L144	D139-K142 PolarHBondContact OD1-N 2.92Å; K140-K142 VanDerWaalsContact C-N 3.34Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 HydrophobicContact CB-CD1 3.81Å; K142-L144 HydrophobicContact CB-CG 3.78Å; K142-L144 HydrophobicContact CD-CD1 4.3Å; K142-L144 WeakPolarHBondContact O-CG 3.29Å; K142-L144 PolarHBondContact O-N 3.06Å
143	N	95.3	Very high	95.8	Very high	43 Å²	43	39.8 Å²	39.8	23%	0.23	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	45.4	-175.3	-171.6	31.8	0	0	0	112.3	D139 L251 L259	D139-N143 PolarHBondContact O-N 3.28Å; N143-L251 PolarHBondContact ND2-O 3.48Å; N143-L251 PolarHBondContact O-N 2.99Å; N143-L251 WeakPolarHBondContact OD1-CB 3.2Å; N143-L259 WeakPolarHBondContact OD1-CD1 3.41Å
144	L	96.6	Very high	95.8	Very high	30 Å²	30	40.8 Å²	40.8	16%	0.157	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.1	-177.4	-55.4	177.3	0	0	0	112.1	D139 K142 T248 L249 V250 L259	D139-L144 HydrophobicContact CB-CB 4.21Å; D139-L144 PolarHBondContact N-O 3.13Å; D139-L144 PolarHBondContact O-N 2.86Å; K142-L144 VanDerWaalsContact C-N 3.32Å; K142-L144 HydrophobicContact CB-CD1 3.81Å; K142-L144 HydrophobicContact CB-CG 3.78Å; K142-L144 HydrophobicContact CD-CD1 4.3Å; K142-L144 WeakPolarHBondContact O-CG 3.29Å; K142-L144 PolarHBondContact O-N 3.06Å; L144-T248 HydrophobicContact CB-CG2 4.33Å; L144-T248 HydrophobicContact CD1-CG2 4.19Å; L144-T248 HydrophobicContact CD2-CG2 4.09Å; L144-T248 HydrophobicContact CG-CG2 4.43Å; L144-L249 WeakPolarHBondContact CA-O 3.44Å; L144-V250 HydrophobicContact CD2-CB 4.19Å; L144-V250 HydrophobicContact CD2-CG1 4.35Å; L144-V250 HydrophobicContact CD2-CG2 3.74Å; L144-L259 WeakPolarHBondContact O-CD2 3.42Å
145	L	97.4	Very high	95.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128	166.2	177.5	65	0	0	0	109.3	F100 I136 C138 T248 L249 L251 I264	F100-L145 HydrophobicContact CE2-CD2 3.61Å; F100-L145 HydrophobicContact CZ-CD2 3.75Å; I136-L145 HydrophobicContact CG2-CD1 3.85Å; C138-L145 VanDerWaalsContact SG-CD1 3.59Å; L145-T248 WeakPolarHBondContact O-CA 3.46Å; L145-L249 HydrophobicContact CB-CB 4.34Å; L145-L249 HydrophobicContact CB-CD1 4.48Å; L145-L249 HydrophobicContact CG-CD1 4.48Å; L145-L249 PolarHBondContact N-O 2.62Å; L145-L249 WeakPolarHBondContact O-CD1 3.48Å; L145-L249 PolarHBondContact O-N 3.3Å; L145-L251 HydrophobicContact CB-CD1 4.23Å; L145-L251 HydrophobicContact CB-CG 4.46Å; L145-I264 HydrophobicContact CD1-CD1 4.24Å; L145-I264 HydrophobicContact CD2-CD1 4.08Å
146	H	97.8	Very high	95.6	Very high	37 Å²	37	46 Å²	46	17%	0.171	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129.7	179.8	-54.9	-77.6	0	0	0	110.4	I136 K137 I247 T248	I136-H146 VanDerWaalsContact CA-O 3.3Å; I136-H146 WeakPolarHBondContact CA-O 3.4Å; K137-H146 HydrophobicContact CB-CB 4.42Å; K137-H146 PolarHBondContact N-O 2.89Å; K137-H146 PolarHBondContact O-N 3.05Å; H146-I247 WeakPolarHBondContact CA-O 3.45Å; H146-T248 VanDerWaalsContact CE1-CG2 3.42Å; H146-T248 WeakPolarHBondContact CE1-CG2 3.28Å; H146-T248 WeakPolarHBondContact ND1-CG2 3.4Å; H146-T248 PolarHBondContact ND1-OG1 2.93Å
147	V	98	Very high	95.5	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.1	168.7	-176.3	0	0	0	0	107.4	L101 L104 V134 I247	L101-V147 HydrophobicContact CD1-CG2 4Å; L104-V147 HydrophobicContact CB-CG1 4.44Å; L104-V147 HydrophobicContact CD1-CG2 4.08Å; V134-V147 HydrophobicContact CG1-CG1 4.21Å; V147-I247 PolarHBondContact N-O 3.4Å; V147-I247 PolarHBondContact O-N 3.05Å
148	T	98	Very high	95.3	Very high	39 Å²	39	51.2 Å²	51.2	24%	0.239	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.2	-175.6	-52.1	0	0	0	0	109.9	V134 K135 T245 T246	V134-T148 CarbonylContact C-O 3.5Å; V134-T148 WeakPolarHBondContact CA-O 3.45Å; K135-T148 PolarHBondContact N-O 3.27Å; K135-T148 PolarHBondContact O-N 3.37Å; T148-T245 WeakPolarHBondContact CA-O 3.34Å; T148-T246 WeakPolarHBondContact CG2-OG1 3.23Å
149	D	97.6	Very high	95.2	Very high	14 Å²	14	50.2 Å²	50.2	8%	0.075	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	158.8	171.4	73.8	53	0	0	0	111.2	A108 G151 T245	A108-D149 HydrophobicContact CB-CB 3.67Å; D149-G151 PolarHBondContact OD1-N 3.44Å; D149-T245 PolarHBondContact N-O 3.3Å; D149-T245 PolarHBondContact O-N 2.79Å; D149-T245 PolarHBondContact OD1-N 2.81Å
150	T	96.6	Very high	95.2	Very high	12 Å²	12	51.4 Å²	51.4	7%	0.074	25%	0.246	C	C	.	.			trans	-107	30.1	171.9	59.3	0	0	0	0	111.6	L112 N129 E131 L132 T133 R243	L112-T150 WeakPolarHBondContact CD2-OG1 3.32Å; N129-T150 VanDerWaalsContact ND2-CG2 3.32Å; N129-T150 WeakPolarHBondContact ND2-CG2 3.25Å; E131-T150 WeakPolarHBondContact O-CB 3.17Å; E131-T150 PolarHBondContact O-OG1 2.98Å; L132-T150 WeakPolarHBondContact CA-OG1 3.45Å; T133-T150 PolarHBondContact N-OG1 2.61Å; T133-T150 PolarHBondContact O-N 3.37Å; T133-T150 PolarHBondContact O-OG1 3.35Å; T150-R243 PolarHBondContact O-NE 2.83Å; T150-R243 VanDerWaalsContact O-NE 3.15Å; T150-R243 PolarHBondContact O-NH2 3.28Å
151	G	95.3	Very high	95.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-71.3	-162.9	-177.6	0	0	0	0	0	113.6	A111 D149 G153 R243 G244	A111-G151 WeakPolarHBondContact O-CA 3.35Å; D149-G151 PolarHBondContact OD1-N 3.44Å; G151-G153 PolarHBondContact O-N 3.17Å; G151-R243 VanDerWaalsContact O-CD 3.31Å; G151-R243 WeakPolarHBondContact O-CD 3Å; G151-R243 VanDerWaalsContact O-CG 3.27Å; G151-R243 WeakPolarHBondContact O-CG 3.23Å; G151-R243 PolarHBondContact O-NE 2.92Å; G151-G244 WeakPolarHBondContact O-CA 3.48Å
152	V	94.8	Very high	95.2	Very high	18 Å²	18	43.3 Å²	43.3	11%	0.109	21%	0.209	C	C	.	.			trans	-64.2	-25.7	-178.9	65.6	0	0	0	0	113.9	A111 K114 I115 I118 H215	A111-V152 HydrophobicContact CB-CG1 4.5Å; A111-V152 PolarHBondContact O-N 3.41Å; K114-V152 HydrophobicContact CB-CB 4.29Å; K114-V152 HydrophobicContact CB-CG1 3.94Å; K114-V152 HydrophobicContact CD-CG1 4.13Å; I115-V152 HydrophobicContact CB-CB 4.04Å; I115-V152 HydrophobicContact CD1-CB 4.46Å; I115-V152 HydrophobicContact CD1-CG2 4.31Å; I118-V152 HydrophobicContact CD1-CG2 3.88Å; V152-H215 PolarHBondContact O-CD2 2.93Å; V152-H215 VanDerWaalsContact O-CD2 3.24Å
153	G	94.9	Very high	95	Very high	5 Å²	5	37.5 Å²	37.5	5%	0.052	19%	0.185	C	C	.	.			trans	74.6	-176.3	-173.1	0	0	0	0	0	113.1	G151 S213	G151-G153 PolarHBondContact O-N 3.17Å; G153-S213 WeakPolarHBondContact CA-OG 3.37Å
154	M	95.9	Very high	94.5	Very high	33 Å²	33	36.8 Å²	36.8	16%	0.163	19%	0.187	C	C	.	.			trans	-131.4	137	178.5	-70.8	174.7	-76.6	0	0	110.6	E158 L159 L163 V211 S213 T245	M154-E158 HydrophobicContact CB-CB 4.01Å; M154-E158 HydrophobicContact CG-CB 4.27Å; M154-L159 HydrophobicContact CB-CD2 4.03Å; M154-L159 HydrophobicContact CB-CG 3.97Å; M154-L159 HydrophobicContact CE-CD2 3.76Å; M154-L159 HydrophobicContact SD-CD2 4.1Å; M154-L163 HydrophobicContact CE-CD1 3.96Å; M154-L163 HydrophobicContact CE-CG 4.41Å; M154-L163 HydrophobicContact SD-CD1 4.26Å; M154-L163 HydrophobicContact SD-CD2 4.27Å; M154-L163 HydrophobicContact SD-CG 4.11Å; M154-V211 HydrophobicContact CE-CG1 4.15Å; M154-S213 PolarHBondContact N-OG 3.3Å; M154-T245 HydrophobicContact CE-CG2 4.09Å
155	T	96	Very high	94	Very high	28 Å²	28	38.4 Å²	38.4	17%	0.172	20%	0.198	C	C	.	.			trans	-69.9	166.5	167.6	60.8	0	0	0	0	111	E157 E158 L159 H215 D218	T155-E157 PolarHBondContact O-N 3.49Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.43Å; T155-E158 PolarHBondContact N-OE2 3.17Å; T155-E158 PolarHBondContact O-N 2.76Å; T155-E158 VanDerWaalsContact O-N 3.17Å; T155-E158 WeakPolarHBondContact OG1-CB 3.28Å; T155-E158 VanDerWaalsContact OG1-CG 3.26Å; T155-E158 WeakPolarHBondContact OG1-CG 3.28Å; T155-E158 PolarHBondContact OG1-N 2.92Å; T155-E158 PolarHBondContact OG1-OE2 2.96Å; T155-L159 WeakPolarHBondContact O-CG 3.4Å; T155-L159 PolarHBondContact O-N 3.25Å; T155-H215 HydrophobicContact CG2-CB 3.89Å; T155-D218 WeakPolarHBondContact CA-OD2 3.5Å; T155-D218 WeakPolarHBondContact CB-OD2 3.46Å; T155-D218 HydrophobicContact CG2-CB 3.94Å
156	R	95.1	Very high	93.4	Very high	131 Å²	131	39.7 Å²	39.7	49%	0.494	21%	0.205	S	C	.	.	H	α-helix	trans	-55.6	-40.8	174.3	-170.3	-178.2	173.2	-80	-3.3	112.1	V160 D218 V232	R156-V160 WeakPolarHBondContact O-CG2 3.27Å; R156-V160 PolarHBondContact O-N 3.01Å; R156-D218 PolarHBondContact N-OD2 2.86Å; R156-V232 HydrophobicContact CG-CG1 4.07Å
157	E	94.6	Very high	92.7	Very high	135 Å²	135	41.3 Å²	41.3	63%	0.631	23%	0.225	S	C	*	.	H	α-helix	trans	-66.1	-43.7	178.7	-171.6	-179.8	164.3	0	0	111	T155 V160 K161	T155-E157 PolarHBondContact O-N 3.49Å; E157-V160 PolarHBondContact O-N 3.01Å; E157-K161 WeakPolarHBondContact O-CB 3.28Å; E157-K161 PolarHBondContact O-N 3.42Å
158	E	93.3	Very high	92.1	Very high	68 Å²	68	43.7 Å²	43.7	32%	0.318	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-36.6	177.4	-72.3	167.7	140.2	0	0	112.6	M154 T155 V160 K161 N162	M154-E158 HydrophobicContact CB-CB 4.01Å; M154-E158 HydrophobicContact CG-CB 4.27Å; T155-E158 WeakPolarHBondContact CG2-OE2 3.43Å; T155-E158 PolarHBondContact N-OE2 3.17Å; T155-E158 PolarHBondContact O-N 2.76Å; T155-E158 VanDerWaalsContact O-N 3.17Å; T155-E158 WeakPolarHBondContact OG1-CB 3.28Å; T155-E158 VanDerWaalsContact OG1-CG 3.26Å; T155-E158 WeakPolarHBondContact OG1-CG 3.28Å; T155-E158 PolarHBondContact OG1-N 2.92Å; T155-E158 PolarHBondContact OG1-OE2 2.96Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-V160 PolarHBondContact O-N 2.75Å; E158-K161 PolarHBondContact O-N 3.26Å; E158-N162 WeakPolarHBondContact O-CA 3.2Å; E158-N162 WeakPolarHBondContact O-CB 3.48Å; E158-N162 PolarHBondContact O-N 3.18Å
159	L	92.9	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	I	π-helix	trans	-59.2	-46.5	173.6	-75.5	170.8	0	0	0	111.2	M154 T155 L163 V211 H221 W223	M154-L159 HydrophobicContact CB-CD2 4.03Å; M154-L159 HydrophobicContact CB-CG 3.97Å; M154-L159 HydrophobicContact CE-CD2 3.76Å; M154-L159 HydrophobicContact SD-CD2 4.1Å; T155-L159 WeakPolarHBondContact O-CG 3.4Å; T155-L159 PolarHBondContact O-N 3.25Å; L159-L163 HydrophobicContact CD2-CD1 3.71Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 PolarHBondContact O-N 2.9Å; L159-V211 HydrophobicContact CD2-CG1 4.27Å; L159-H221 HydrophobicContact CD1-CB 3.56Å; L159-W223 HydrophobicContact CD2-CB 4.22Å
160	V	93	Very high	90.7	Very high	57 Å²	57	42.9 Å²	42.9	35%	0.345	24%	0.235	S	C	.	.	I	π-helix	trans	-68.8	-45.9	178.4	175.5	0	0	0	0	110.9	R156 E157 E158 G164 F230 V232	R156-V160 WeakPolarHBondContact O-CG2 3.27Å; R156-V160 PolarHBondContact O-N 3.01Å; E157-V160 PolarHBondContact O-N 3.01Å; E158-V160 VanDerWaalsContact C-N 3.35Å; E158-V160 PolarHBondContact O-N 2.75Å; V160-G164 WeakPolarHBondContact O-CA 3.39Å; V160-G164 PolarHBondContact O-N 3.05Å; V160-G164 VanDerWaalsContact O-N 3.14Å; V160-F230 HydrophobicContact CG1-CE2 4.45Å; V160-F230 HydrophobicContact CG1-CZ 4.43Å; V160-F230 HydrophobicContact CG2-CE2 4.48Å; V160-V232 HydrophobicContact CG2-CG2 3.96Å
161	K	91.8	Very high	90.2	Very high	87 Å²	87	42.9 Å²	42.9	38%	0.378	24%	0.235	S	C	.	.	I	π-helix	trans	-77.6	-46.4	-171.1	-171.4	-178.3	-177.8	-179.7	0	112.2	E157 E158 T165 K168	E157-K161 WeakPolarHBondContact O-CB 3.28Å; E157-K161 PolarHBondContact O-N 3.42Å; E158-K161 PolarHBondContact O-N 3.26Å; K161-T165 WeakPolarHBondContact O-CB 3.46Å; K161-T165 PolarHBondContact O-N 3.13Å; K161-T165 PolarHBondContact O-OG1 3.37Å; K161-K168 VanDerWaalsContact CE-CE 3.47Å; K161-K168 HydrophobicContact CG-CD 3.97Å; K161-K168 WeakPolarHBondContact O-CD 3.49Å
162	N	90.9	Very high	89.7	Confident	28 Å²	28	44.8 Å²	44.8	15%	0.15	25%	0.248	C	C	.	.	I	π-helix	trans	-85.7	-42	-173.6	-59.6	-18.9	0	0	0	112.5	E158	E158-N162 WeakPolarHBondContact O-CA 3.2Å; E158-N162 WeakPolarHBondContact O-CB 3.48Å; E158-N162 PolarHBondContact O-N 3.18Å
163	L	89.1	Confident	89.3	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.099	26%	0.258	C	S	.	.	I	π-helix	trans	-86.5	-25.7	177.7	-54.5	-177	0	0	0	112.7	M154 L159 F199 Y200 V211 W223	M154-L163 HydrophobicContact CE-CD1 3.96Å; M154-L163 HydrophobicContact CE-CG 4.41Å; M154-L163 HydrophobicContact SD-CD1 4.26Å; M154-L163 HydrophobicContact SD-CD2 4.27Å; M154-L163 HydrophobicContact SD-CG 4.11Å; L159-L163 HydrophobicContact CD2-CD1 3.71Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 PolarHBondContact O-N 2.9Å; L163-F199 HydrophobicContact CB-CE1 4.3Å; L163-F199 HydrophobicContact CD1-CZ 4.29Å; L163-F199 HydrophobicContact CD2-CD1 4.01Å; L163-F199 HydrophobicContact CD2-CD2 4.25Å; L163-F199 HydrophobicContact CD2-CE1 4.21Å; L163-F199 HydrophobicContact CD2-CE2 4.44Å; L163-F199 HydrophobicContact CD2-CG 4.02Å; L163-F199 HydrophobicContact CD2-CZ 4.42Å; L163-Y200 WeakPolarHBondContact O-CE1 3.19Å; L163-Y200 PolarHBondContact O-OH 3.49Å; L163-V211 HydrophobicContact CD1-CB 4.3Å; L163-V211 HydrophobicContact CD1-CG1 4.07Å; L163-V211 HydrophobicContact CD1-CG2 4.19Å; L163-W223 HydrophobicContact CB-CZ2 4.3Å; L163-W223 HydrophobicContact CD1-CD2 4.39Å
164	G	84.8	Confident	88.8	Confident	27 Å²	27	49 Å²	49	28%	0.278	27%	0.265	S	S	.	.	S	Bend	trans	-86.3	-8.2	178.6	0	0	0	0	0	115.3	V160 F230	V160-G164 WeakPolarHBondContact O-CA 3.39Å; V160-G164 PolarHBondContact O-N 3.05Å; V160-G164 VanDerWaalsContact O-N 3.14Å; G164-F230 VanDerWaalsContact CA-CE1 3.45Å
165	T	85.3	Confident	88	Confident	64 Å²	64	49.8 Å²	49.8	39%	0.393	27%	0.269	S	S	.	.	S	Bend	trans	-116	116.2	179.6	-48.9	0	0	0	0	111	K161 K168 Y200	K161-T165 WeakPolarHBondContact O-CB 3.46Å; K161-T165 PolarHBondContact O-N 3.13Å; K161-T165 PolarHBondContact O-OG1 3.37Å; T165-K168 HydrophobicContact CG2-CB 4.04Å; T165-K168 HydrophobicContact CG2-CD 4.4Å; T165-K168 WeakPolarHBondContact O-CB 3.26Å; T165-K168 PolarHBondContact O-N 3.47Å; T165-Y200 PolarHBondContact O-OH 2.88Å
166	I	85.3	Confident	87.3	Confident	28 Å²	28	52.3 Å²	52.3	14%	0.144	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	141.3	175.6	-57.8	177.8	0	0	0	110.2	V82 M85 M86 I89 K168 V197 Y200	V82-I166 HydrophobicContact CG1-CD1 3.87Å; M85-I166 HydrophobicContact CB-CD1 4.25Å; M85-I166 HydrophobicContact CG-CD1 4.19Å; M85-I166 HydrophobicContact CG-CG2 4.29Å; M85-I166 HydrophobicContact SD-CB 4.28Å; M85-I166 HydrophobicContact SD-CD1 4.26Å; M85-I166 HydrophobicContact SD-CG2 3.74Å; M86-I166 HydrophobicContact CB-CD1 4.41Å; M86-I166 HydrophobicContact CE-CD1 4.06Å; M86-I166 HydrophobicContact CE-CG1 4.3Å; I89-I166 HydrophobicContact CD1-CD1 4.41Å; I89-I166 HydrophobicContact CD1-CG2 3.53Å; I166-K168 PolarHBondContact O-N 2.98Å; I166-V197 HydrophobicContact CG2-CG1 4.2Å; I166-Y200 HydrophobicContact CB-CE2 4.37Å; I166-Y200 HydrophobicContact CG1-CE2 4Å; I166-Y200 HydrophobicContact CG2-CE2 4.48Å
167	A	83.9	Confident	86.8	Confident	71 Å²	71	52.8 Å²	52.8	59%	0.587	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	22.7	179.9	0	0	0	0	0	114.4	F195 G196	A167-F195 WeakPolarHBondContact CA-O 3.37Å; A167-G196 WeakPolarHBondContact CA-O 3.46Å; A167-G196 PolarHBondContact N-O 3.38Å
168	K	85.2	Confident	85.9	Confident	53 Å²	53	47.7 Å²	47.7	23%	0.23	26%	0.264	C	S	.	.			trans	-107.9	121.9	171.5	-164.6	179.9	-179.7	74.8	0	110.4	K161 T165 I166 E173 G196	K161-K168 VanDerWaalsContact CE-CE 3.47Å; K161-K168 HydrophobicContact CG-CD 3.97Å; K161-K168 WeakPolarHBondContact O-CD 3.49Å; T165-K168 HydrophobicContact CG2-CB 4.04Å; T165-K168 HydrophobicContact CG2-CD 4.4Å; T165-K168 WeakPolarHBondContact O-CB 3.26Å; T165-K168 PolarHBondContact O-N 3.47Å; I166-K168 PolarHBondContact O-N 2.98Å; K168-E173 WeakPolarHBondContact CE-OE1 3.41Å; K168-E173 IonicContact NZ-OE1 2.71Å; K168-E173 PolarHBondContact NZ-OE1 3.08Å; K168-G196 WeakPolarHBondContact O-CA 3.43Å
169	S	85	Confident	85	Confident	18 Å²	18	47.9 Å²	47.9	13%	0.126	27%	0.27	C	S	.	.			trans	-114.3	112.3	176.6	178.5	0	0	0	0	110.8	T171 S172 E173 G193 Q194	S169-T171 PolarHBondContact O-N 3.17Å; S169-T171 PolarHBondContact OG-N 2.97Å; S169-S172 WeakPolarHBondContact O-CB 3.33Å; S169-S172 PolarHBondContact O-N 2.89Å; S169-S172 PolarHBondContact OG-N 3.5Å; S169-E173 PolarHBondContact O-N 2.88Å; S169-G193 PolarHBondContact OG-O 2.87Å; S169-G193 VanDerWaalsContact OG-O 3.1Å; S169-Q194 WeakPolarHBondContact CB-O 3.31Å
170	G	82	Confident	84.1	Confident	18 Å²	18	55.7 Å²	55.7	19%	0.186	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-21.1	170.2	0	0	0	0	0	112.9	F174	G170-F174 WeakPolarHBondContact O-CB 3.48Å; G170-F174 PolarHBondContact O-N 3.04Å
171	T	84.8	Confident	83	Confident	13 Å²	13	56.6 Å²	56.6	8%	0.08	32%	0.32	C	S	.	.	H	α-helix	trans	-70.5	-40.5	172.3	-61.6	0	0	0	0	111.7	D110 K114 S169 F174 L175 L191 G193	D110-T171 HydrophobicContact CB-CG2 4.41Å; D110-T171 WeakPolarHBondContact OD2-CG2 3.49Å; D110-T171 PolarHBondContact OD2-OG1 3.24Å; K114-T171 WeakPolarHBondContact CE-OG1 3.38Å; K114-T171 VanDerWaalsContact NZ-CA 3.34Å; K114-T171 PolarHBondContact NZ-OG1 2.88Å; S169-T171 PolarHBondContact O-N 3.17Å; S169-T171 PolarHBondContact OG-N 2.97Å; T171-F174 PolarHBondContact O-N 3.17Å; T171-L175 WeakPolarHBondContact O-CB 3.48Å; T171-L175 PolarHBondContact O-N 3.38Å; T171-L191 HydrophobicContact CG2-CB 3.76Å; T171-L191 HydrophobicContact CG2-CD1 4.14Å; T171-L191 HydrophobicContact CG2-CD2 3.86Å; T171-L191 HydrophobicContact CG2-CG 4.12Å; T171-G193 WeakPolarHBondContact CB-O 3.11Å; T171-G193 WeakPolarHBondContact CG2-O 3.47Å
172	S	84.4	Confident	81.5	Confident	40 Å²	40	55.6 Å²	55.6	28%	0.28	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-43.9	175.5	-173.6	0	0	0	0	111.5	S169 F174 L175 N176	S169-S172 WeakPolarHBondContact O-CB 3.33Å; S169-S172 PolarHBondContact O-N 2.89Å; S169-S172 PolarHBondContact OG-N 3.5Å; S172-F174 VanDerWaalsContact C-N 3.34Å; S172-F174 PolarHBondContact O-N 2.82Å; S172-L175 WeakPolarHBondContact O-CB 3.18Å; S172-L175 PolarHBondContact O-N 2.9Å; S172-N176 PolarHBondContact O-N 3.32Å
173	E	86.3	Confident	79.4	Confident	69 Å²	69	63 Å²	63	32%	0.322	35%	0.35	S	S	.	.	H	α-helix	trans	-62.9	-39.7	175.3	-68.6	-175.1	178.7	0	0	112.3	K168 S169 N176 K177	K168-E173 WeakPolarHBondContact CE-OE1 3.41Å; K168-E173 IonicContact NZ-OE1 2.71Å; K168-E173 PolarHBondContact NZ-OE1 3.08Å; S169-E173 PolarHBondContact O-N 2.88Å; E173-N176 PolarHBondContact O-N 3.3Å; E173-K177 WeakPolarHBondContact O-CG 2.94Å; E173-K177 PolarHBondContact O-N 2.51Å; E173-K177 VanDerWaalsContact O-N 3.12Å
174	F	84.3	Confident	77.1	Confident	43 Å²	43	70.8 Å²	70.8	19%	0.189	39%	0.392	C	S	.	.	H	α-helix	trans	-64.5	-43.2	175.2	-175.7	-88	0	0	0	111.7	K114 L117 I118 G170 T171 S172 N176 K177 M178 L191	K114-F174 HydrophobicContact CB-CZ 4.46Å; K114-F174 HydrophobicContact CD-CD2 4.43Å; K114-F174 HydrophobicContact CD-CG 4.3Å; K114-F174 HydrophobicContact CG-CD1 3.96Å; K114-F174 HydrophobicContact CG-CD2 4.2Å; K114-F174 HydrophobicContact CG-CE1 4.07Å; K114-F174 HydrophobicContact CG-CE2 4.29Å; K114-F174 HydrophobicContact CG-CG 4.03Å; K114-F174 HydrophobicContact CG-CZ 4.23Å; L117-F174 HydrophobicContact CB-CZ 4.33Å; L117-F174 HydrophobicContact CD1-CE1 3.8Å; L117-F174 HydrophobicContact CD1-CZ 4.35Å; I118-F174 HydrophobicContact CD1-CE2 4.33Å; I118-F174 HydrophobicContact CG1-CE2 4.32Å; I118-F174 HydrophobicContact CG1-CZ 4.49Å; G170-F174 WeakPolarHBondContact O-CB 3.48Å; G170-F174 PolarHBondContact O-N 3.04Å; T171-F174 PolarHBondContact O-N 3.17Å; S172-F174 VanDerWaalsContact C-N 3.34Å; S172-F174 PolarHBondContact O-N 2.82Å; F174-N176 VanDerWaalsContact C-N 3.35Å; F174-N176 PolarHBondContact O-N 2.88Å; F174-K177 PolarHBondContact O-N 2.85Å; F174-M178 HydrophobicContact CE1-SD 4.48Å; F174-M178 HydrophobicContact CZ-SD 4.39Å; F174-M178 WeakPolarHBondContact O-CB 3.45Å; F174-M178 PolarHBondContact O-N 3.4Å; F174-L191 HydrophobicContact CD1-CD1 4Å
175	L	80.4	Confident	75.5	Confident	49 Å²	49	73.3 Å²	73.3	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-58.4	-47.3	176.8	-175.5	72.2	0	0	0	111	T171 S172 K177 M178 T179 L191	T171-L175 WeakPolarHBondContact O-CB 3.48Å; T171-L175 PolarHBondContact O-N 3.38Å; S172-L175 WeakPolarHBondContact O-CB 3.18Å; S172-L175 PolarHBondContact O-N 2.9Å; L175-K177 PolarHBondContact O-N 3.39Å; L175-M178 PolarHBondContact O-N 3.07Å; L175-M178 VanDerWaalsContact O-N 3.13Å; L175-T179 PolarHBondContact O-N 2.98Å; L175-T179 PolarHBondContact O-OG1 3.49Å; L175-T179 VanDerWaalsContact O-OG1 3.13Å; L175-L191 HydrophobicContact CB-CD1 4.34Å; L175-L191 HydrophobicContact CD1-CD1 4.06Å
176	N	81.9	Confident	74.1	Confident	80 Å²	80	74.2 Å²	74.2	43%	0.428	42%	0.418	S	S	.	.	H	α-helix	trans	-59.5	-46.7	178.4	-68	-12.3	0	0	0	111.8	S172 E173 F174 M178 T179 E180	S172-N176 PolarHBondContact O-N 3.32Å; E173-N176 PolarHBondContact O-N 3.3Å; F174-N176 VanDerWaalsContact C-N 3.35Å; F174-N176 PolarHBondContact O-N 2.88Å; N176-M178 VanDerWaalsContact C-N 3.26Å; N176-M178 PolarHBondContact O-N 2.99Å; N176-T179 WeakPolarHBondContact CA-OG1 3.49Å; N176-T179 PolarHBondContact O-N 2.86Å; N176-T179 PolarHBondContact O-OG1 2.87Å; N176-E180 WeakPolarHBondContact O-CB 3.36Å; N176-E180 VanDerWaalsContact O-CG 3.3Å; N176-E180 WeakPolarHBondContact O-CG 3.26Å; N176-E180 PolarHBondContact O-N 3Å
177	K	83.1	Confident	72.6	Confident	141 Å²	141	76.1 Å²	76.1	61%	0.613	43%	0.433	S	S	*	.	H	α-helix	trans	-60.2	-38.1	175.8	-72.7	178.2	-179.2	-179.7	0	112	E173 F174 L175 A181	E173-K177 WeakPolarHBondContact O-CG 2.94Å; E173-K177 PolarHBondContact O-N 2.51Å; E173-K177 VanDerWaalsContact O-N 3.12Å; F174-K177 PolarHBondContact O-N 2.85Å; L175-K177 PolarHBondContact O-N 3.39Å; K177-A181 WeakPolarHBondContact O-CB 3.44Å; K177-A181 PolarHBondContact O-N 2.96Å; K177-A181 VanDerWaalsContact O-N 3.1Å
178	M	76.1	Confident	71.4	Confident	29 Å²	29	73.7 Å²	73.7	14%	0.143	41%	0.411	C	S	.	.	H	α-helix	trans	-73	-38.8	180	-150.4	69.9	-171.5	0	0	111.8	F174 L175 N176 E180 A181 Q182 T188	F174-M178 HydrophobicContact CE1-SD 4.48Å; F174-M178 HydrophobicContact CZ-SD 4.39Å; F174-M178 WeakPolarHBondContact O-CB 3.45Å; F174-M178 PolarHBondContact O-N 3.4Å; L175-M178 PolarHBondContact O-N 3.07Å; L175-M178 VanDerWaalsContact O-N 3.13Å; N176-M178 VanDerWaalsContact C-N 3.26Å; N176-M178 PolarHBondContact O-N 2.99Å; M178-E180 VanDerWaalsContact C-N 3.32Å; M178-E180 PolarHBondContact O-N 2.85Å; M178-A181 PolarHBondContact O-N 2.81Å; M178-Q182 VanDerWaalsContact O-CG 3.29Å; M178-Q182 WeakPolarHBondContact O-CG 3.46Å; M178-Q182 PolarHBondContact O-N 2.9Å; M178-T188 HydrophobicContact CB-CG2 3.97Å; M178-T188 HydrophobicContact CG-CG2 3.63Å
179	T	73.9	Confident	70.3	Confident	71 Å²	71	73.8 Å²	73.8	44%	0.436	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-34.6	173.7	48.1	0	0	0	0	112.4	L175 N176 A181	L175-T179 PolarHBondContact O-N 2.98Å; L175-T179 PolarHBondContact O-OG1 3.49Å; L175-T179 VanDerWaalsContact O-OG1 3.13Å; N176-T179 WeakPolarHBondContact CA-OG1 3.49Å; N176-T179 PolarHBondContact O-N 2.86Å; N176-T179 PolarHBondContact O-OG1 2.87Å; T179-A181 VanDerWaalsContact C-N 3.3Å
180	E	74.7	Confident	69.5	Low	165 Å²	165	74.6 Å²	74.6	77%	0.771	42%	0.42	S	S	*	.	H	α-helix	trans	-70	-28	173.9	-72.7	170.9	-168.6	0	0	112.4	N176 M178	N176-E180 WeakPolarHBondContact O-CB 3.36Å; N176-E180 VanDerWaalsContact O-CG 3.3Å; N176-E180 WeakPolarHBondContact O-CG 3.26Å; N176-E180 PolarHBondContact O-N 3Å; M178-E180 VanDerWaalsContact C-N 3.32Å; M178-E180 PolarHBondContact O-N 2.85Å
181	A	69.4	Low	69.5	Low	76 Å²	76	74.2 Å²	74.2	63%	0.628	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-1	179.9	0	0	0	0	0	114.2	K177 M178 T179	K177-A181 WeakPolarHBondContact O-CB 3.44Å; K177-A181 PolarHBondContact O-N 2.96Å; K177-A181 VanDerWaalsContact O-N 3.1Å; M178-A181 PolarHBondContact O-N 2.81Å; T179-A181 VanDerWaalsContact C-N 3.3Å
182	Q	59.9	Low	69.3	Low	65 Å²	65	74.1 Å²	74.1	30%	0.304	41%	0.413	S	S	.	.			trans	-89.2	121	-170.6	-93.8	178.8	-26.9	0	0	114.7	M178 Q186	M178-Q182 VanDerWaalsContact O-CG 3.29Å; M178-Q182 WeakPolarHBondContact O-CG 3.46Å; M178-Q182 PolarHBondContact O-N 2.9Å; Q182-Q186 PolarHBondContact NE2-O 2.83Å
183	E	46.8	Very low	69	Low	183 Å²	183	72.9 Å²	72.9	86%	0.855	41%	0.406	S	S	*	.			trans	-88.6	144.5	143	-69.9	-179.1	160.9	0	0	108.2	G185	E183-G185 PolarHBondContact O-N 3.25Å
184	D	42.8	Very low	68.6	Low	184 Å²	184	76 Å²	76	98%	0.984	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.9	120.7	-171.4	-87.8	-35.3	0	0	0	115.3
185	G	50.7	Low	68.3	Low	79 Å²	79	76.9 Å²	76.9	81%	0.814	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	138.6	-8.1	160	0	0	0	0	0	119.6	E183	E183-G185 PolarHBondContact O-N 3.25Å
186	Q	54.7	Low	68.5	Low	84 Å²	84	75.5 Å²	75.5	39%	0.393	42%	0.422	S	S	.	.			trans	-90	128.9	178.8	-73.1	-177	-14.3	0	0	112.4	Q182 T188	Q182-Q186 PolarHBondContact NE2-O 2.83Å; Q186-T188 PolarHBondContact O-N 2.77Å; Q186-T188 VanDerWaalsContact O-N 3.17Å
187	S	55.1	Low	68.7	Low	67 Å²	67	72.4 Å²	72.4	47%	0.469	41%	0.406	S	S	.	.			trans	-81.3	96.2	-179	-171.4	0	0	0	0	111.4	S189	S187-S189 PolarHBondContact OG-OG 2.98Å
188	T	58.7	Low	68.9	Low	21 Å²	21	66.2 Å²	66.2	13%	0.129	38%	0.382	C	S	.	.			trans	-86.5	6	169	51.3	0	0	0	0	112.6	M178 Q186 E190	M178-T188 HydrophobicContact CB-CG2 3.97Å; M178-T188 HydrophobicContact CG-CG2 3.63Å; Q186-T188 PolarHBondContact O-N 2.77Å; Q186-T188 VanDerWaalsContact O-N 3.17Å; T188-E190 PolarHBondContact O-N 3.29Å
189	S	61.1	Low	69.7	Low	54 Å²	54	65.6 Å²	65.6	38%	0.378	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-13	-169.9	-47.4	0	0	0	0	114.4	S187 R414	S187-S189 PolarHBondContact OG-OG 2.98Å; S189-R414 PolarHBondContact O-NH1 2.81Å
190	E	68.9	Low	70.6	Confident	36 Å²	36	62.6 Å²	62.6	17%	0.168	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-14.1	-171.8	-58.9	-169.8	143.4	0	0	114.2	D113 R116 T188 I192 R415	D113-E190 WeakPolarHBondContact OD2-CB 3.4Å; R116-E190 IonicContact CZ-OE2 2.7Å; R116-E190 IonicContact NH1-OE2 3.28Å; R116-E190 PolarHBondContact NH1-OE2 3.01Å; R116-E190 IonicContact NH2-OE2 3.23Å; R116-E190 PolarHBondContact NH2-OE2 3.39Å; T188-E190 PolarHBondContact O-N 3.29Å; E190-I192 PolarHBondContact O-N 2.63Å; E190-R415 IonicContact OE1-CZ 3.36Å; E190-R415 VanDerWaalsContact OE1-CZ 3.28Å; E190-R415 IonicContact OE1-NH1 3.85Å; E190-R415 PolarHBondContact OE1-NH1 3.13Å; E190-R415 VanDerWaalsContact OE1-NH1 3.13Å; E190-R415 IonicContact OE1-NH2 2.93Å; E190-R415 PolarHBondContact OE1-NH2 3.49Å
191	L	81.1	Confident	71.4	Confident	9 Å²	9	54.7 Å²	54.7	5%	0.047	32%	0.322	C	S	.	.			trans	-70	128.2	-177.9	-68.1	168.8	0	0	0	112.2	D110 D113 K114 T171 F174 L175 R414	D110-L191 HydrophobicContact CB-CD2 4.19Å; D110-L191 WeakPolarHBondContact OD1-CA 3.42Å; D113-L191 HydrophobicContact CB-CD2 4.18Å; K114-L191 HydrophobicContact CG-CD2 4.41Å; T171-L191 HydrophobicContact CG2-CB 3.76Å; T171-L191 HydrophobicContact CG2-CD1 4.14Å; T171-L191 HydrophobicContact CG2-CD2 3.86Å; T171-L191 HydrophobicContact CG2-CG 4.12Å; F174-L191 HydrophobicContact CD1-CD1 4Å; L175-L191 HydrophobicContact CB-CD1 4.34Å; L175-L191 HydrophobicContact CD1-CD1 4.06Å; L191-R414 VanDerWaalsContact O-CD 3.28Å; L191-R414 WeakPolarHBondContact O-CD 3.22Å; L191-R414 PolarHBondContact O-NH1 3.11Å
192	I	80.5	Confident	72.6	Confident	12 Å²	12	51.1 Å²	51.1	6%	0.062	29%	0.292	C	S	.	.			trans	-96.9	-35.7	-171	-60.5	158.4	0	0	0	111.8	D110 E190 Q194 R414 V416 R448	D110-I192 PolarHBondContact OD1-N 3.13Å; E190-I192 PolarHBondContact O-N 2.63Å; I192-Q194 PolarHBondContact O-N 3.23Å; I192-R414 HydrophobicContact CG1-CB 4.26Å; I192-V416 HydrophobicContact CD1-CG2 3.6Å; I192-V416 HydrophobicContact CG1-CG2 4.12Å; I192-V416 HydrophobicContact CG2-CG2 4.15Å; I192-R448 PolarHBondContact O-NH1 3.26Å; I192-R448 PolarHBondContact O-NH2 2.98Å
193	G	78.9	Confident	74.3	Confident	13 Å²	13	48.2 Å²	48.2	13%	0.134	28%	0.279	C	S	.	.			trans	-78	107.9	-169	0	0	0	0	0	116.3	D110 S169 T171	D110-G193 WeakPolarHBondContact OD2-CA 3.46Å; D110-G193 PolarHBondContact OD2-N 2.86Å; S169-G193 PolarHBondContact OG-O 2.87Å; S169-G193 VanDerWaalsContact OG-O 3.1Å; T171-G193 WeakPolarHBondContact CB-O 3.11Å; T171-G193 WeakPolarHBondContact CG2-O 3.47Å
194	Q	77.1	Confident	76.6	Confident	135 Å²	135	40 Å²	40	63%	0.631	24%	0.241	S	C	*	.			trans	-110.5	-46	177.3	-168	179.1	-0.4	0	0	114.1	S169 I192	S169-Q194 WeakPolarHBondContact CB-O 3.31Å; I192-Q194 PolarHBondContact O-N 3.23Å
195	F	79.4	Confident	79.1	Confident	62 Å²	62	31.3 Å²	31.3	27%	0.272	19%	0.194	S	C	.	.	S	Bend	trans	-80.2	-24.8	-165	-57.8	-73.5	0	0	0	116.4	A167 V197 R448	A167-F195 WeakPolarHBondContact CA-O 3.37Å; F195-V197 HydrophobicContact CB-CG2 4Å; F195-V197 PolarHBondContact O-N 3.4Å; F195-R448 HydrophobicContact CE2-CG 4.41Å
196	G	82.8	Confident	81.3	Confident	20 Å²	20	27.6 Å²	27.6	21%	0.206	16%	0.156	C	C	.	.	S	Bend	trans	70.5	27	-177.5	0	0	0	0	0	115	A167 K168	A167-G196 WeakPolarHBondContact CA-O 3.46Å; A167-G196 PolarHBondContact N-O 3.38Å; K168-G196 WeakPolarHBondContact O-CA 3.43Å
197	V	86.6	Confident	83.2	Confident	15 Å²	15	28.2 Å²	28.2	9%	0.091	16%	0.162	C	C	.	.			trans	-124	-13.8	176.4	-60.7	0	0	0	0	114.2	I89 L93 I166 F195 F199 Y200 V446	I89-V197 HydrophobicContact CD1-CB 4.4Å; I89-V197 HydrophobicContact CD1-CG1 4.08Å; L93-V197 HydrophobicContact CD2-CG2 4.32Å; I166-V197 HydrophobicContact CG2-CG1 4.2Å; F195-V197 HydrophobicContact CB-CG2 4Å; F195-V197 PolarHBondContact O-N 3.4Å; V197-F199 VanDerWaalsContact C-N 3.33Å; V197-F199 PolarHBondContact O-N 2.91Å; V197-Y200 PolarHBondContact O-N 2.86Å; V197-V446 HydrophobicContact CG2-CG1 3.97Å
198	G	87.4	Confident	85.1	Confident	10 Å²	10	28.7 Å²	28.7	10%	0.103	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-62.3	-33.7	-172.5	0	0	0	0	0	114.3	E103 Y200 S201	E103-G198 WeakPolarHBondContact CB-O 3.28Å; E103-G198 WeakPolarHBondContact OE2-CA 3.36Å; G198-Y200 VanDerWaalsContact C-N 3.27Å; G198-Y200 PolarHBondContact O-N 2.96Å; G198-S201 VanDerWaalsContact O-CB 3.27Å; G198-S201 WeakPolarHBondContact O-CB 3.46Å; G198-S201 PolarHBondContact O-N 3.38Å; G198-S201 VanDerWaalsContact O-N 3.12Å; G198-S201 PolarHBondContact O-OG 3.2Å
199	F	92.8	Very high	87	Confident	17 Å²	17	27.7 Å²	27.7	8%	0.075	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-57.2	-39.4	176.6	170.4	-107.7	0	0	0	112.6	L104 L163 V197 S201 A202 V209 V211 W223 I247	L104-F199 HydrophobicContact CD2-CD2 4.45Å; L163-F199 HydrophobicContact CB-CE1 4.3Å; L163-F199 HydrophobicContact CD1-CZ 4.29Å; L163-F199 HydrophobicContact CD2-CD1 4.01Å; L163-F199 HydrophobicContact CD2-CD2 4.25Å; L163-F199 HydrophobicContact CD2-CE1 4.21Å; L163-F199 HydrophobicContact CD2-CE2 4.44Å; L163-F199 HydrophobicContact CD2-CG 4.02Å; L163-F199 HydrophobicContact CD2-CZ 4.42Å; V197-F199 VanDerWaalsContact C-N 3.33Å; V197-F199 PolarHBondContact O-N 2.91Å; F199-S201 PolarHBondContact O-N 3.42Å; F199-S201 VanDerWaalsContact O-N 3.17Å; F199-A202 WeakPolarHBondContact O-CB 3.25Å; F199-A202 PolarHBondContact O-N 3.07Å; F199-A202 VanDerWaalsContact O-N 3.12Å; F199-V209 HydrophobicContact CE2-CG1 4.1Å; F199-V209 HydrophobicContact CZ-CG1 3.88Å; F199-V211 HydrophobicContact CE2-CG2 3.74Å; F199-V211 HydrophobicContact CZ-CG2 3.71Å; F199-W223 AromaticContact CE1-CH2 3.75Å; F199-W223 HydrophobicContact CE1-CH2 3.75Å; F199-W223 HydrophobicContact CE1-CZ2 4.44Å; F199-W223 HydrophobicContact CE1-CZ3 4.04Å; F199-W223 HydrophobicContact CZ-CE3 4.45Å; F199-W223 AromaticContact CZ-CH2 3.98Å; F199-W223 HydrophobicContact CZ-CH2 3.98Å; F199-W223 AromaticContact CZ-CZ3 3.76Å; F199-W223 HydrophobicContact CZ-CZ3 3.76Å; F199-I247 HydrophobicContact CE2-CD1 4.4Å
200	Y	92.3	Very high	88.7	Confident	7 Å²	7	27 Å²	27	3%	0.027	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-70.9	-11.5	-177.4	-52.8	-64.4	0	0	0	113.4	M86 L163 T165 I166 V197 G198 A202 F203	M86-Y200 HydrophobicContact CE-CD1 3.58Å; M86-Y200 HydrophobicContact CE-CE1 3.65Å; M86-Y200 HydrophobicContact CE-CG 4.15Å; M86-Y200 HydrophobicContact SD-CD1 3.74Å; M86-Y200 HydrophobicContact SD-CE1 4.4Å; M86-Y200 HydrophobicContact SD-CG 3.82Å; L163-Y200 WeakPolarHBondContact O-CE1 3.19Å; L163-Y200 PolarHBondContact O-OH 3.49Å; T165-Y200 PolarHBondContact O-OH 2.88Å; I166-Y200 HydrophobicContact CB-CE2 4.37Å; I166-Y200 HydrophobicContact CG1-CE2 4Å; I166-Y200 HydrophobicContact CG2-CE2 4.48Å; V197-Y200 PolarHBondContact O-N 2.86Å; G198-Y200 VanDerWaalsContact C-N 3.27Å; G198-Y200 PolarHBondContact O-N 2.96Å; Y200-A202 PolarHBondContact O-N 2.75Å; Y200-F203 HydrophobicContact CD1-CE2 4.41Å; Y200-F203 PolarHBondContact O-N 3.3Å; Y200-F203 VanDerWaalsContact O-N 3.15Å
201	S	92.8	Very high	90.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-61.3	-20.1	169.6	71.9	0	0	0	0	112.6	F100 E103 G198 F199 F203 L204	F100-S201 WeakPolarHBondContact CB-O 3.48Å; E103-S201 WeakPolarHBondContact CB-OG 3.31Å; E103-S201 WeakPolarHBondContact CG-OG 3.34Å; G198-S201 VanDerWaalsContact O-CB 3.27Å; G198-S201 WeakPolarHBondContact O-CB 3.46Å; G198-S201 PolarHBondContact O-N 3.38Å; G198-S201 VanDerWaalsContact O-N 3.12Å; G198-S201 PolarHBondContact O-OG 3.2Å; F199-S201 PolarHBondContact O-N 3.42Å; F199-S201 VanDerWaalsContact O-N 3.17Å; S201-F203 PolarHBondContact O-N 2.68Å; S201-L204 WeakPolarHBondContact O-CB 3.3Å; S201-L204 WeakPolarHBondContact O-CD1 3.39Å; S201-L204 WeakPolarHBondContact O-CG 3.28Å; S201-L204 PolarHBondContact O-N 2.85Å
202	A	95.3	Very high	90.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-57	-32.9	172.8	0	0	0	0	0	112.7	F199 Y200 L204 V205 A206 V209 L249	F199-A202 WeakPolarHBondContact O-CB 3.25Å; F199-A202 PolarHBondContact O-N 3.07Å; F199-A202 VanDerWaalsContact O-N 3.12Å; Y200-A202 PolarHBondContact O-N 2.75Å; A202-L204 PolarHBondContact O-N 3.46Å; A202-V205 PolarHBondContact O-N 3.19Å; A202-A206 WeakPolarHBondContact O-CB 3.39Å; A202-A206 PolarHBondContact O-N 3.09Å; A202-V209 HydrophobicContact CB-CG2 3.88Å; A202-L249 HydrophobicContact CB-CD2 4.06Å
203	F	95.1	Very high	91.8	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.018	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-74.3	-3.8	177.8	-67.3	-74	0	0	0	114.1	I90 Y200 S201 V205 A206 V209 S227 K252	I90-F203 HydrophobicContact CD1-CB 3.56Å; I90-F203 HydrophobicContact CD1-CG 4.23Å; I90-F203 HydrophobicContact CG1-CB 3.92Å; I90-F203 HydrophobicContact CG2-CB 4.47Å; Y200-F203 HydrophobicContact CD1-CE2 4.41Å; Y200-F203 PolarHBondContact O-N 3.3Å; Y200-F203 VanDerWaalsContact O-N 3.15Å; S201-F203 PolarHBondContact O-N 2.68Å; F203-V205 VanDerWaalsContact C-N 3.25Å; F203-V205 PolarHBondContact O-N 2.86Å; F203-A206 WeakPolarHBondContact CA-O 3.43Å; F203-V209 HydrophobicContact CD1-CG2 3.91Å; F203-V209 HydrophobicContact CD2-CG2 4.42Å; F203-V209 HydrophobicContact CE1-CB 4.08Å; F203-V209 HydrophobicContact CE1-CG2 3.61Å; F203-V209 HydrophobicContact CE2-CB 4.5Å; F203-V209 HydrophobicContact CE2-CG2 4.14Å; F203-V209 HydrophobicContact CG-CG2 4.31Å; F203-V209 HydrophobicContact CZ-CB 3.89Å; F203-V209 HydrophobicContact CZ-CG2 3.73Å; F203-S227 VanDerWaalsContact CE1-N 3.33Å; F203-K252 PolarHBondContact O-NZ 2.66Å
204	L	93.6	Very high	92.6	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.058	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-59.9	-42.1	168	-70.5	168	0	0	0	110.7	I90 Y94 K97 I99 S201 A202 K252	I90-L204 HydrophobicContact CG2-CD2 4.37Å; I90-L204 WeakPolarHBondContact O-CD2 3.43Å; Y94-L204 HydrophobicContact CD2-CD1 3.93Å; Y94-L204 HydrophobicContact CG-CD1 4.33Å; K97-L204 HydrophobicContact CB-CB 4.44Å; K97-L204 HydrophobicContact CG-CB 4.44Å; I99-L204 HydrophobicContact CD1-CD1 4.15Å; I99-L204 HydrophobicContact CG1-CD1 3.99Å; S201-L204 WeakPolarHBondContact O-CB 3.3Å; S201-L204 WeakPolarHBondContact O-CD1 3.39Å; S201-L204 WeakPolarHBondContact O-CG 3.28Å; S201-L204 PolarHBondContact O-N 2.85Å; A202-L204 PolarHBondContact O-N 3.46Å; L204-K252 PolarHBondContact O-NZ 3.41Å
205	V	95.8	Very high	93.4	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-14.3	-171.5	-61.2	0	0	0	0	113.4	K97 F100 A202 F203 L249 L251 K252 A255 Y258	K97-V205 HydrophobicContact CB-CG1 4.09Å; F100-V205 HydrophobicContact CB-CG2 4.3Å; F100-V205 HydrophobicContact CD1-CB 4.43Å; F100-V205 HydrophobicContact CD1-CG1 3.84Å; F100-V205 HydrophobicContact CD1-CG2 3.73Å; F100-V205 HydrophobicContact CD2-CG2 3.75Å; F100-V205 HydrophobicContact CE1-CG1 4.11Å; F100-V205 HydrophobicContact CE1-CG2 3.96Å; F100-V205 HydrophobicContact CE2-CG2 3.99Å; F100-V205 HydrophobicContact CG-CG1 4.44Å; F100-V205 HydrophobicContact CG-CG2 3.62Å; F100-V205 HydrophobicContact CZ-CG2 4.08Å; A202-V205 PolarHBondContact O-N 3.19Å; F203-V205 VanDerWaalsContact C-N 3.25Å; F203-V205 PolarHBondContact O-N 2.86Å; V205-L249 HydrophobicContact CG2-CD2 4.07Å; V205-L251 HydrophobicContact CB-CD2 4.22Å; V205-L251 HydrophobicContact CG2-CD2 3.99Å; V205-L251 WeakPolarHBondContact O-CA 3.39Å; V205-K252 PolarHBondContact O-N 3.35Å; V205-A255 HydrophobicContact CB-CB 3.94Å; V205-A255 HydrophobicContact CG1-CB 4.45Å; V205-A255 WeakPolarHBondContact O-CB 3.49Å; V205-Y258 HydrophobicContact CB-CD2 4.33Å; V205-Y258 HydrophobicContact CB-CE2 4.32Å; V205-Y258 HydrophobicContact CG1-CD2 3.99Å; V205-Y258 HydrophobicContact CG1-CE2 3.51Å
206	A	96.6	Very high	94	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	141.7	-178.9	0	0	0	0	0	112.4	A202 F203 V209 L249 V250 K252	A202-A206 WeakPolarHBondContact O-CB 3.39Å; A202-A206 PolarHBondContact O-N 3.09Å; F203-A206 WeakPolarHBondContact CA-O 3.43Å; A206-V209 HydrophobicContact CB-CG2 4.15Å; A206-L249 HydrophobicContact CB-CB 3.98Å; A206-L249 HydrophobicContact CB-CD2 4.24Å; A206-L249 HydrophobicContact CB-CG 4.44Å; A206-V250 CarbonylContact C-O 3.55Å; A206-V250 WeakPolarHBondContact CA-O 3.3Å; A206-V250 VanDerWaalsContact CB-O 3.31Å; A206-V250 WeakPolarHBondContact CB-O 3.43Å; A206-K252 WeakPolarHBondContact O-CE 3.33Å
207	D	94.6	Very high	94.4	Very high	97 Å²	97	25.5 Å²	25.5	52%	0.519	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-31.7	170	-73.6	-42.2	0	0	0	111.5	V250 K252	D207-V250 PolarHBondContact N-O 3.25Å; D207-K252 VanDerWaalsContact CG-CG 3.49Å; D207-K252 VanDerWaalsContact OD1-CE 3.3Å; D207-K252 WeakPolarHBondContact OD1-CE 3.31Å; D207-K252 VanDerWaalsContact OD1-CG 3.29Å; D207-K252 WeakPolarHBondContact OD1-CG 3.29Å; D207-K252 WeakPolarHBondContact OD2-CG 3.33Å
208	K	96.6	Very high	94.7	Very high	77 Å²	77	27.1 Å²	27.1	34%	0.335	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138	-179.5	178.7	-176	-69.2	-162	0	110.3	I210 E224 S225 V250	K208-I210 HydrophobicContact CD-CD1 4.42Å; K208-I210 HydrophobicContact CD-CG1 4.33Å; K208-I210 HydrophobicContact CG-CG1 4.27Å; K208-E224 HydrophobicContact CD-CG 4Å; K208-E224 VanDerWaalsContact CD-OE1 3.26Å; K208-E224 WeakPolarHBondContact CD-OE1 3.03Å; K208-E224 VanDerWaalsContact CE-OE1 3.24Å; K208-E224 WeakPolarHBondContact CE-OE1 3.4Å; K208-E224 HydrophobicContact CG-CG 4.17Å; K208-E224 IonicContact NZ-OE1 2.66Å; K208-E224 PolarHBondContact NZ-OE1 3.14Å; K208-S225 WeakPolarHBondContact CA-O 2.8Å; K208-V250 HydrophobicContact CB-CB 4.01Å; K208-V250 HydrophobicContact CB-CG2 3.98Å; K208-V250 HydrophobicContact CD-CG2 4.28Å; K208-V250 HydrophobicContact CG-CG2 4.28Å; K208-V250 PolarHBondContact O-N 3.08Å
209	V	97.7	Very high	95	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	177	-179.6	0	0	0	0	108.9	F199 A202 F203 A206 V211 W223 S225 I247	F199-V209 HydrophobicContact CE2-CG1 4.1Å; F199-V209 HydrophobicContact CZ-CG1 3.88Å; A202-V209 HydrophobicContact CB-CG2 3.88Å; F203-V209 HydrophobicContact CD1-CG2 3.91Å; F203-V209 HydrophobicContact CD2-CG2 4.42Å; F203-V209 HydrophobicContact CE1-CB 4.08Å; F203-V209 HydrophobicContact CE1-CG2 3.61Å; F203-V209 HydrophobicContact CE2-CB 4.5Å; F203-V209 HydrophobicContact CE2-CG2 4.14Å; F203-V209 HydrophobicContact CG-CG2 4.31Å; F203-V209 HydrophobicContact CZ-CB 3.89Å; F203-V209 HydrophobicContact CZ-CG2 3.73Å; A206-V209 HydrophobicContact CB-CG2 4.15Å; V209-V211 HydrophobicContact CG1-CG2 4.07Å; V209-W223 HydrophobicContact CB-CZ3 4.44Å; V209-W223 HydrophobicContact CG1-CZ3 4.41Å; V209-S225 PolarHBondContact N-O 3.5Å; V209-S225 PolarHBondContact O-N 3.27Å; V209-I247 HydrophobicContact CG1-CG2 4.06Å
210	I	97.9	Very high	95.2	Very high	39 Å²	39	30.2 Å²	30.2	20%	0.2	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.6	179.1	-51.1	170.6	0	0	0	107.8	K208 I222 W223 E224 T248 V250	K208-I210 HydrophobicContact CD-CD1 4.42Å; K208-I210 HydrophobicContact CD-CG1 4.33Å; K208-I210 HydrophobicContact CG-CG1 4.27Å; I210-I222 HydrophobicContact CG2-CG2 3.8Å; I210-W223 CarbonylContact C-O 3.5Å; I210-W223 WeakPolarHBondContact CA-O 3.42Å; I210-E224 HydrophobicContact CG1-CG 4.17Å; I210-T248 PolarHBondContact N-O 3.37Å; I210-T248 PolarHBondContact O-N 2.81Å; I210-V250 HydrophobicContact CD1-CG2 4.34Å
211	V	98.1	Very high	95.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.6	179.7	-177.2	0	0	0	0	108.5	M154 L159 L163 F199 V209 W223 T245 T246 I247	M154-V211 HydrophobicContact CE-CG1 4.15Å; L159-V211 HydrophobicContact CD2-CG1 4.27Å; L163-V211 HydrophobicContact CD1-CB 4.3Å; L163-V211 HydrophobicContact CD1-CG1 4.07Å; L163-V211 HydrophobicContact CD1-CG2 4.19Å; F199-V211 HydrophobicContact CE2-CG2 3.74Å; F199-V211 HydrophobicContact CZ-CG2 3.71Å; V209-V211 HydrophobicContact CG1-CG2 4.07Å; V211-W223 HydrophobicContact CB-CB 4.22Å; V211-W223 HydrophobicContact CB-CE3 4.16Å; V211-W223 HydrophobicContact CG2-CE3 3.83Å; V211-W223 HydrophobicContact CG2-CZ3 4.26Å; V211-W223 PolarHBondContact N-O 3.06Å; V211-W223 PolarHBondContact O-N 3.41Å; V211-T245 HydrophobicContact CG1-CG2 3.44Å; V211-T245 VanDerWaalsContact CG1-CG2 3.44Å; V211-T246 WeakPolarHBondContact CA-O 3.32Å; V211-I247 HydrophobicContact CG1-CG1 4.38Å; V211-I247 HydrophobicContact CG2-CG1 4.29Å; V211-I247 HydrophobicContact CG2-CG2 4.47Å
212	T	98	Very high	95.7	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.6	171.2	-51.7	0	0	0	0	108.2	Q220 H221 I222 D235 L241 T245 T246	T212-Q220 HydrophobicContact CG2-CG 3.89Å; T212-H221 CarbonylContact C-O 3.55Å; T212-H221 WeakPolarHBondContact CA-O 3.27Å; T212-I222 HydrophobicContact CG2-CG1 4.23Å; T212-D235 WeakPolarHBondContact CG2-OD2 3.31Å; T212-L241 HydrophobicContact CG2-CD1 3.8Å; T212-L241 HydrophobicContact CG2-CG 4.5Å; T212-L241 WeakPolarHBondContact O-CD1 3.23Å; T212-T245 CarbonylContact O-C 3.57Å; T212-T245 WeakPolarHBondContact O-CA 3.4Å; T212-T246 PolarHBondContact N-O 3.26Å; T212-T246 PolarHBondContact O-N 3.45Å
213	S	97.5	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.3	-177.5	-160.6	0	0	0	0	112.3	G153 M154 Q220 H221 G244 T245	G153-S213 WeakPolarHBondContact CA-OG 3.37Å; M154-S213 PolarHBondContact N-OG 3.3Å; S213-Q220 WeakPolarHBondContact O-CA 3.45Å; S213-H221 PolarHBondContact N-O 3.19Å; S213-H221 PolarHBondContact O-N 3.02Å; S213-G244 WeakPolarHBondContact CA-O 3.18Å; S213-G244 PolarHBondContact OG-O 2.98Å; S213-T245 PolarHBondContact OG-OG1 3.23Å
214	K	96.3	Very high	95.9	Very high	23 Å²	23	34.8 Å²	34.8	10%	0.1	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	109.4	175.1	176.6	64.5	176.8	75.1	0	109.7	D218 Q220 L241 G242 G244	K214-D218 WeakPolarHBondContact CD-O 3.42Å; K214-D218 WeakPolarHBondContact CE-O 3.3Å; K214-D218 PolarHBondContact NZ-O 3.22Å; K214-Q220 HydrophobicContact CB-CB 4.31Å; K214-Q220 HydrophobicContact CB-CG 4.23Å; K214-Q220 HydrophobicContact CD-CB 4.05Å; K214-L241 HydrophobicContact CB-CB 4.3Å; K214-G242 WeakPolarHBondContact CG-O 3.37Å; K214-G244 PolarHBondContact N-O 2.91Å; K214-G244 PolarHBondContact O-N 2.85Å
215	H	95.1	Very high	96	Very high	28 Å²	28	34.7 Å²	34.7	13%	0.13	18%	0.18	C	C	.	.			trans	-90.8	147.9	169	-174.6	-89.3	0	0	0	110.7	V152 T155 N217 D218	V152-H215 PolarHBondContact O-CD2 2.93Å; V152-H215 VanDerWaalsContact O-CD2 3.24Å; T155-H215 HydrophobicContact CG2-CB 3.89Å; H215-N217 PolarHBondContact ND1-N 3.13Å; H215-N217 VanDerWaalsContact ND1-N 3.15Å; H215-N217 PolarHBondContact O-N 2.92Å; H215-D218 PolarHBondContact O-N 3.34Å; H215-D218 VanDerWaalsContact O-N 3.16Å
216	N	91.4	Very high	95.9	Very high	51 Å²	51	37.8 Å²	37.8	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-42.4	-177.3	-76.1	-10.3	0	0	0	112.8	A125 D218 R243	A125-N216 PolarHBondContact O-ND2 3.31Å; N216-D218 PolarHBondContact O-N 2.81Å; N216-R243 WeakPolarHBondContact OD1-CD 3.44Å; N216-R243 WeakPolarHBondContact OD1-CG 3.11Å
217	N	90.1	Very high	95.6	Very high	145 Å²	145	39.1 Å²	39.1	78%	0.775	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	11.1	-174.7	-58.3	-15.5	0	0	0	114.9	H215	H215-N217 PolarHBondContact ND1-N 3.13Å; H215-N217 VanDerWaalsContact ND1-N 3.15Å; H215-N217 PolarHBondContact O-N 2.92Å
218	D	93.6	Very high	95.4	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	21%	0.205	S	C	.	.	S	Bend	trans	-145.5	168.2	-177.1	-157.8	-3.9	0	0	0	112.2	T155 R156 K214 H215 N216 H221	T155-D218 WeakPolarHBondContact CA-OD2 3.5Å; T155-D218 WeakPolarHBondContact CB-OD2 3.46Å; T155-D218 HydrophobicContact CG2-CB 3.94Å; R156-D218 PolarHBondContact N-OD2 2.86Å; K214-D218 WeakPolarHBondContact CD-O 3.42Å; K214-D218 WeakPolarHBondContact CE-O 3.3Å; K214-D218 PolarHBondContact NZ-O 3.22Å; H215-D218 PolarHBondContact O-N 3.34Å; H215-D218 VanDerWaalsContact O-N 3.16Å; N216-D218 PolarHBondContact O-N 2.81Å; D218-H221 IonicContact OD1-NE2 2.67Å; D218-H221 IonicContact OD2-NE2 2.75Å
219	T	94.1	Very high	95.1	Very high	83 Å²	83	42.4 Å²	42.4	51%	0.509	22%	0.223	S	C	.	.			trans	-73.4	162.1	173.3	58.5	0	0	0	0	112	H221	T219-H221 PolarHBondContact O-CD2 2.92Å; T219-H221 PolarHBondContact O-NE2 3.29Å; T219-H221 PolarHBondContact OG1-CE1 3.18Å; T219-H221 PolarHBondContact OG1-NE2 3.27Å
220	Q	97	Very high	95.1	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.042	24%	0.239	C	C	.	.			trans	-73	132.5	174.9	-170.7	169.4	-60.6	0	0	109.5	T212 S213 K214 D235 G238 L241	T212-Q220 HydrophobicContact CG2-CG 3.89Å; S213-Q220 WeakPolarHBondContact O-CA 3.45Å; K214-Q220 HydrophobicContact CB-CB 4.31Å; K214-Q220 HydrophobicContact CB-CG 4.23Å; K214-Q220 HydrophobicContact CD-CB 4.05Å; Q220-D235 HydrophobicContact CB-CB 4.04Å; Q220-D235 HydrophobicContact CG-CB 3.84Å; Q220-D235 PolarHBondContact NE2-OD2 3.14Å; Q220-D235 PolarHBondContact O-N 2.67Å; Q220-G238 VanDerWaalsContact CD-O 3.28Å; Q220-G238 PolarHBondContact NE2-O 3.12Å; Q220-G238 PolarHBondContact OE1-O 3.01Å; Q220-L241 VanDerWaalsContact OE1-N 3.09Å
221	H	97	Very high	95	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.5	-179.6	-67.9	-65.9	0	0	0	111.6	L159 T212 S213 D218 T219 I233	L159-H221 HydrophobicContact CD1-CB 3.56Å; T212-H221 CarbonylContact C-O 3.55Å; T212-H221 WeakPolarHBondContact CA-O 3.27Å; S213-H221 PolarHBondContact N-O 3.19Å; S213-H221 PolarHBondContact O-N 3.02Å; D218-H221 IonicContact OD1-NE2 2.67Å; D218-H221 IonicContact OD2-NE2 2.75Å; T219-H221 PolarHBondContact O-CD2 2.92Å; T219-H221 PolarHBondContact O-NE2 3.29Å; T219-H221 PolarHBondContact OG1-CE1 3.18Å; T219-H221 PolarHBondContact OG1-NE2 3.27Å; H221-I233 CarbonylContact C-O 3.57Å; H221-I233 WeakPolarHBondContact CA-O 3.31Å; H221-I233 PolarHBondContact ND1-O 3.34Å
222	I	97.5	Very high	94.9	Very high	28 Å²	28	49 Å²	49	14%	0.144	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.7	171	-58.2	171.4	0	0	0	107.6	I210 T212 V232 I233 D235	I210-I222 HydrophobicContact CG2-CG2 3.8Å; T212-I222 HydrophobicContact CG2-CG1 4.23Å; I222-V232 WeakPolarHBondContact O-CA 3.4Å; I222-I233 HydrophobicContact CB-CG2 3.99Å; I222-I233 PolarHBondContact N-O 2.98Å; I222-I233 PolarHBondContact O-N 3.27Å; I222-D235 HydrophobicContact CD1-CB 4.11Å; I222-D235 HydrophobicContact CG1-CB 3.97Å
223	W	98	Very high	94.8	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130	170	179.9	106.6	0	0	0	108.2	L159 L163 F199 V209 I210 V211 F230 S231 V232	L159-W223 HydrophobicContact CD2-CB 4.22Å; L163-W223 HydrophobicContact CB-CZ2 4.3Å; L163-W223 HydrophobicContact CD1-CD2 4.39Å; F199-W223 AromaticContact CE1-CH2 3.75Å; F199-W223 HydrophobicContact CE1-CH2 3.75Å; F199-W223 HydrophobicContact CE1-CZ2 4.44Å; F199-W223 HydrophobicContact CE1-CZ3 4.04Å; F199-W223 HydrophobicContact CZ-CE3 4.45Å; F199-W223 AromaticContact CZ-CH2 3.98Å; F199-W223 HydrophobicContact CZ-CH2 3.98Å; F199-W223 AromaticContact CZ-CZ3 3.76Å; F199-W223 HydrophobicContact CZ-CZ3 3.76Å; V209-W223 HydrophobicContact CB-CZ3 4.44Å; V209-W223 HydrophobicContact CG1-CZ3 4.41Å; I210-W223 CarbonylContact C-O 3.5Å; I210-W223 WeakPolarHBondContact CA-O 3.42Å; V211-W223 HydrophobicContact CB-CB 4.22Å; V211-W223 HydrophobicContact CB-CE3 4.16Å; V211-W223 HydrophobicContact CG2-CE3 3.83Å; V211-W223 HydrophobicContact CG2-CZ3 4.26Å; V211-W223 PolarHBondContact N-O 3.06Å; V211-W223 PolarHBondContact O-N 3.41Å; W223-F230 AromaticContact CD1-CD2 3.8Å; W223-F230 HydrophobicContact CD2-CB 4.37Å; W223-F230 AromaticContact CE2-CD2 3.94Å; W223-F230 AromaticContact CE2-CG 3.75Å; W223-F230 HydrophobicContact CH2-CB 4.28Å; W223-F230 HydrophobicContact CZ2-CB 3.47Å; W223-F230 VanDerWaalsContact CZ2-CB 3.47Å; W223-F230 HydrophobicContact CZ2-CD1 4.22Å; W223-F230 HydrophobicContact CZ2-CD2 4.44Å; W223-F230 AromaticContact CZ2-CG 3.81Å; W223-F230 HydrophobicContact CZ2-CG 3.81Å; W223-F230 AromaticContact NE1-CD2 3.12Å; W223-F230 AromaticContact NE1-CE2 3.78Å; W223-F230 AromaticContact NE1-CG 3.4Å; W223-S231 VanDerWaalsContact CA-O 3.28Å; W223-S231 WeakPolarHBondContact CA-O 3.25Å; W223-V232 HydrophobicContact CG-CG2 4.33Å
224	E	97.3	Very high	94.7	Very high	66 Å²	66	56.1 Å²	56.1	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	134.5	-179.5	176.4	176.1	158.3	0	0	110.1	K208 I210 F230 S231	K208-E224 HydrophobicContact CD-CG 4Å; K208-E224 VanDerWaalsContact CD-OE1 3.26Å; K208-E224 WeakPolarHBondContact CD-OE1 3.03Å; K208-E224 VanDerWaalsContact CE-OE1 3.24Å; K208-E224 WeakPolarHBondContact CE-OE1 3.4Å; K208-E224 HydrophobicContact CG-CG 4.17Å; K208-E224 IonicContact NZ-OE1 2.66Å; K208-E224 PolarHBondContact NZ-OE1 3.14Å; I210-E224 HydrophobicContact CG1-CG 4.17Å; E224-F230 CarbonylContact O-C 3.54Å; E224-F230 WeakPolarHBondContact O-CA 3.43Å; E224-S231 PolarHBondContact N-O 3.05Å; E224-S231 PolarHBondContact O-N 2.96Å
225	S	96.1	Very high	94.6	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.063	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	150.8	179.8	-176.7	0	0	0	0	113.4	K208 V209 S227 E229	K208-S225 WeakPolarHBondContact CA-O 2.8Å; V209-S225 PolarHBondContact N-O 3.5Å; V209-S225 PolarHBondContact O-N 3.27Å; S225-S227 PolarHBondContact OG-N 3.15Å; S225-S227 VanDerWaalsContact OG-N 3.13Å; S225-E229 WeakPolarHBondContact CA-O 3.47Å; S225-E229 VanDerWaalsContact CB-O 3.27Å; S225-E229 WeakPolarHBondContact CB-O 3.46Å; S225-E229 PolarHBondContact OG-O 3.39Å
226	D	93.1	Very high	94.5	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.353	33%	0.333	S	S	.	.			trans	-108.3	16	173.6	73.1	-15.7	0	0	0	112.8	N228 E229	D226-N228 VanDerWaalsContact C-N 3.3Å; D226-N228 PolarHBondContact O-N 3.3Å; D226-N228 WeakPolarHBondContact OD1-CB 3.24Å; D226-N228 PolarHBondContact OD1-N 3.21Å; D226-N228 PolarHBondContact OD2-ND2 2.8Å; D226-E229 PolarHBondContact OD1-N 3.24Å; D226-E229 VanDerWaalsContact OD1-N 3.12Å
227	S	91	Very high	94.6	Very high	29 Å²	29	65 Å²	65	20%	0.203	35%	0.349	C	S	.	.	S	Bend	trans	76.1	-14.7	-170.9	79.2	0	0	0	0	117.2	F203 S225	F203-S227 VanDerWaalsContact CE1-N 3.33Å; S225-S227 PolarHBondContact OG-N 3.15Å; S225-S227 VanDerWaalsContact OG-N 3.13Å
228	N	89.1	Confident	94.6	Very high	93 Å²	93	59.8 Å²	59.8	50%	0.497	33%	0.33	S	S	.	.	S	Bend	trans	-92	-46.5	175.9	-58.4	-58.8	0	0	0	111.2	D226	D226-N228 VanDerWaalsContact C-N 3.3Å; D226-N228 PolarHBondContact O-N 3.3Å; D226-N228 WeakPolarHBondContact OD1-CB 3.24Å; D226-N228 PolarHBondContact OD1-N 3.21Å; D226-N228 PolarHBondContact OD2-ND2 2.8Å
229	E	92.2	Very high	94.5	Very high	150 Å²	150	61.9 Å²	61.9	70%	0.701	34%	0.341	S	S	*	.			trans	-139.9	170.4	177.3	63.1	-180	-160.4	0	0	110.8	S225 D226	S225-E229 WeakPolarHBondContact CA-O 3.47Å; S225-E229 VanDerWaalsContact CB-O 3.27Å; S225-E229 WeakPolarHBondContact CB-O 3.46Å; S225-E229 PolarHBondContact OG-O 3.39Å; D226-E229 PolarHBondContact OD1-N 3.24Å; D226-E229 VanDerWaalsContact OD1-N 3.12Å
230	F	95.9	Very high	94.4	Very high	80 Å²	80	62.2 Å²	62.2	35%	0.351	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.6	177	65.4	-94.1	0	0	0	111.6	V160 G164 W223 E224 V232	V160-F230 HydrophobicContact CG1-CE2 4.45Å; V160-F230 HydrophobicContact CG1-CZ 4.43Å; V160-F230 HydrophobicContact CG2-CE2 4.48Å; G164-F230 VanDerWaalsContact CA-CE1 3.45Å; W223-F230 AromaticContact CD1-CD2 3.8Å; W223-F230 HydrophobicContact CD2-CB 4.37Å; W223-F230 AromaticContact CE2-CD2 3.94Å; W223-F230 AromaticContact CE2-CG 3.75Å; W223-F230 HydrophobicContact CH2-CB 4.28Å; W223-F230 HydrophobicContact CZ2-CB 3.47Å; W223-F230 VanDerWaalsContact CZ2-CB 3.47Å; W223-F230 HydrophobicContact CZ2-CD1 4.22Å; W223-F230 HydrophobicContact CZ2-CD2 4.44Å; W223-F230 AromaticContact CZ2-CG 3.81Å; W223-F230 HydrophobicContact CZ2-CG 3.81Å; W223-F230 AromaticContact NE1-CD2 3.12Å; W223-F230 AromaticContact NE1-CE2 3.78Å; W223-F230 AromaticContact NE1-CG 3.4Å; E224-F230 CarbonylContact O-C 3.54Å; E224-F230 WeakPolarHBondContact O-CA 3.43Å; F230-V232 HydrophobicContact CD2-CG2 4.04Å; F230-V232 HydrophobicContact CE2-CG2 4.22Å
231	S	96.3	Very high	94.1	Very high	66 Å²	66	63.9 Å²	63.9	46%	0.462	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.7	175.8	66.5	0	0	0	0	110.5	W223 E224	W223-S231 VanDerWaalsContact CA-O 3.28Å; W223-S231 WeakPolarHBondContact CA-O 3.25Å; E224-S231 PolarHBondContact N-O 3.05Å; E224-S231 PolarHBondContact O-N 2.96Å
232	V	96	Very high	93.8	Very high	32 Å²	32	64.3 Å²	64.3	19%	0.194	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122	177.9	-173.6	0	0	0	0	109.5	R156 V160 I222 W223 F230	R156-V232 HydrophobicContact CG-CG1 4.07Å; V160-V232 HydrophobicContact CG2-CG2 3.96Å; I222-V232 WeakPolarHBondContact O-CA 3.4Å; W223-V232 HydrophobicContact CG-CG2 4.33Å; F230-V232 HydrophobicContact CD2-CG2 4.04Å; F230-V232 HydrophobicContact CE2-CG2 4.22Å
233	I	95.8	Very high	93.7	Very high	103 Å²	103	63 Å²	63	53%	0.528	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153	-179	-166.8	169.2	0	0	0	110.6	H221 I222	H221-I233 CarbonylContact C-O 3.57Å; H221-I233 WeakPolarHBondContact CA-O 3.31Å; H221-I233 PolarHBondContact ND1-O 3.34Å; I222-I233 HydrophobicContact CB-CG2 3.99Å; I222-I233 PolarHBondContact N-O 2.98Å; I222-I233 PolarHBondContact O-N 3.27Å
234	A	95.4	Very high	93.6	Very high	56 Å²	56	62.9 Å²	62.9	46%	0.463	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138.4	168.4	0	0	0	0	0	110	P236	A234-P236 VanDerWaalsContact O-CD 3.29Å; A234-P236 WeakPolarHBondContact O-CD 3.29Å
235	D	94.8	Very high	93.6	Very high	11 Å²	11	60 Å²	60	6%	0.059	34%	0.339	C	S	.	.			trans	-69.3	119.1	-179.9	-165.3	-38.1	0	0	0	110.6	T212 Q220 I222 R237 G238	T212-D235 WeakPolarHBondContact CG2-OD2 3.31Å; Q220-D235 HydrophobicContact CB-CB 4.04Å; Q220-D235 HydrophobicContact CG-CB 3.84Å; Q220-D235 PolarHBondContact NE2-OD2 3.14Å; Q220-D235 PolarHBondContact O-N 2.67Å; I222-D235 HydrophobicContact CD1-CB 4.11Å; I222-D235 HydrophobicContact CG1-CB 3.97Å; D235-R237 PolarHBondContact O-N 2.71Å; D235-R237 VanDerWaalsContact O-N 3.12Å; D235-R237 VanDerWaalsContact OD1-CB 3.29Å; D235-R237 WeakPolarHBondContact OD1-CB 3.33Å; D235-R237 WeakPolarHBondContact OD1-CG 3.11Å; D235-R237 IonicContact OD1-CZ 2.88Å; D235-R237 PolarHBondContact OD1-N 3.18Å; D235-R237 IonicContact OD1-NE 3.96Å; D235-R237 PolarHBondContact OD1-NE 3.05Å; D235-R237 IonicContact OD1-NH2 4Å; D235-R237 IonicContact OD2-CZ 3.84Å; D235-R237 IonicContact OD2-NE 2.77Å; D235-R237 PolarHBondContact OD2-NE 2.82Å; D235-R237 IonicContact OD2-NH2 2.88Å; D235-R237 PolarHBondContact OD2-NH2 3.44Å; D235-G238 PolarHBondContact O-N 3.14Å
236	P	93.4	Very high	93.7	Very high	116 Å²	116	60.4 Å²	60.4	75%	0.753	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.6	-179.5	-22.6	34.2	0	0	0	114	A234 G238	A234-P236 VanDerWaalsContact O-CD 3.29Å; A234-P236 WeakPolarHBondContact O-CD 3.29Å; P236-G238 VanDerWaalsContact C-N 3.29Å; P236-G238 PolarHBondContact O-N 2.82Å
237	R	92.5	Very high	94	Very high	161 Å²	161	58 Å²	58	61%	0.608	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-9.1	-177.7	-59.1	169.7	-68.5	-178	1.5	113.1	D235	D235-R237 PolarHBondContact O-N 2.71Å; D235-R237 VanDerWaalsContact O-N 3.12Å; D235-R237 VanDerWaalsContact OD1-CB 3.29Å; D235-R237 WeakPolarHBondContact OD1-CB 3.33Å; D235-R237 WeakPolarHBondContact OD1-CG 3.11Å; D235-R237 IonicContact OD1-CZ 2.88Å; D235-R237 PolarHBondContact OD1-N 3.18Å; D235-R237 IonicContact OD1-NE 3.96Å; D235-R237 PolarHBondContact OD1-NE 3.05Å; D235-R237 IonicContact OD1-NH2 4Å; D235-R237 IonicContact OD2-CZ 3.84Å; D235-R237 IonicContact OD2-NE 2.77Å; D235-R237 PolarHBondContact OD2-NE 2.82Å; D235-R237 IonicContact OD2-NH2 2.88Å; D235-R237 PolarHBondContact OD2-NH2 3.44Å
238	G	91.1	Very high	94.3	Very high	37 Å²	37	57.3 Å²	57.3	38%	0.381	32%	0.323	S	S	.	.			trans	77.6	-152.4	-172.5	0	0	0	0	0	112.6	Q220 D235 P236 T240	Q220-G238 VanDerWaalsContact CD-O 3.28Å; Q220-G238 PolarHBondContact NE2-O 3.12Å; Q220-G238 PolarHBondContact OE1-O 3.01Å; D235-G238 PolarHBondContact O-N 3.14Å; P236-G238 VanDerWaalsContact C-N 3.29Å; P236-G238 PolarHBondContact O-N 2.82Å; G238-T240 PolarHBondContact O-N 3.36Å; G238-T240 VanDerWaalsContact O-N 3.12Å
239	N	90.4	Very high	94.7	Very high	92 Å²	92	52.9 Å²	52.9	49%	0.492	30%	0.299	S	S	.	.	S	Bend	trans	-82.5	87.1	-178.7	-173.5	8.8	0	0	0	111.2	G242	N239-G242 PolarHBondContact ND2-O 3.35Å; N239-G242 VanDerWaalsContact OD1-CA 3.3Å; N239-G242 WeakPolarHBondContact OD1-CA 3.48Å; N239-G242 PolarHBondContact OD1-N 2.56Å
240	T	93	Very high	95	Very high	90 Å²	90	47.7 Å²	47.7	55%	0.552	28%	0.278	S	S	*	.	S	Bend	trans	-86.5	-29.4	175.1	-30.2	0	0	0	0	112.1	G238	G238-T240 PolarHBondContact O-N 3.36Å; G238-T240 VanDerWaalsContact O-N 3.12Å
241	L	90	Very high	95	Very high	44 Å²	44	44 Å²	44	23%	0.23	26%	0.262	C	S	.	.	S	Bend	trans	-84.9	-20.4	-173.1	-63.2	-179	0	0	0	113.8	T212 K214 Q220 R243 T246	T212-L241 HydrophobicContact CG2-CD1 3.8Å; T212-L241 HydrophobicContact CG2-CG 4.5Å; T212-L241 WeakPolarHBondContact O-CD1 3.23Å; K214-L241 HydrophobicContact CB-CB 4.3Å; Q220-L241 VanDerWaalsContact OE1-N 3.09Å; L241-R243 PolarHBondContact O-N 3.33Å; L241-T246 VanDerWaalsContact CD2-OG1 3.26Å; L241-T246 WeakPolarHBondContact CD2-OG1 3.23Å
242	G	91.7	Very high	95	Very high	19 Å²	19	42.5 Å²	42.5	20%	0.196	25%	0.247	C	C	.	.	S	Bend	trans	74.1	-68.6	-168.8	0	0	0	0	0	110.9	K214 N239	K214-G242 WeakPolarHBondContact CG-O 3.37Å; N239-G242 PolarHBondContact ND2-O 3.35Å; N239-G242 VanDerWaalsContact OD1-CA 3.3Å; N239-G242 WeakPolarHBondContact OD1-CA 3.48Å; N239-G242 PolarHBondContact OD1-N 2.56Å
243	R	94.6	Very high	94.8	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	28%	0.277	C	S	.	.	S	Bend	trans	-156.9	144	175.9	-170.2	-165	60.3	-114.5	-4.5	110.1	L126 N129 T150 G151 N216 L241	L126-R243 PolarHBondContact O-NH1 2.97Å; N129-R243 PolarHBondContact O-NH1 3.43Å; N129-R243 PolarHBondContact O-NH2 3.31Å; T150-R243 PolarHBondContact O-NE 2.83Å; T150-R243 VanDerWaalsContact O-NE 3.15Å; T150-R243 PolarHBondContact O-NH2 3.28Å; G151-R243 VanDerWaalsContact O-CD 3.31Å; G151-R243 WeakPolarHBondContact O-CD 3Å; G151-R243 VanDerWaalsContact O-CG 3.27Å; G151-R243 WeakPolarHBondContact O-CG 3.23Å; G151-R243 PolarHBondContact O-NE 2.92Å; N216-R243 WeakPolarHBondContact OD1-CD 3.44Å; N216-R243 WeakPolarHBondContact OD1-CG 3.11Å; L241-R243 PolarHBondContact O-N 3.33Å
244	G	95.9	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	-158.4	173.5	0	0	0	0	0	112.6	G151 S213 K214	G151-G244 WeakPolarHBondContact O-CA 3.48Å; S213-G244 WeakPolarHBondContact CA-O 3.18Å; S213-G244 PolarHBondContact OG-O 2.98Å; K214-G244 PolarHBondContact N-O 2.91Å; K214-G244 PolarHBondContact O-N 2.85Å
245	T	97.9	Very high	94.6	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.9	-174.7	-52.7	0	0	0	0	111.9	T148 D149 M154 V211 T212 S213 I247	T148-T245 WeakPolarHBondContact CA-O 3.34Å; D149-T245 PolarHBondContact N-O 3.3Å; D149-T245 PolarHBondContact O-N 2.79Å; D149-T245 PolarHBondContact OD1-N 2.81Å; M154-T245 HydrophobicContact CE-CG2 4.09Å; V211-T245 HydrophobicContact CG1-CG2 3.44Å; V211-T245 VanDerWaalsContact CG1-CG2 3.44Å; T212-T245 CarbonylContact O-C 3.57Å; T212-T245 WeakPolarHBondContact O-CA 3.4Å; S213-T245 PolarHBondContact OG-OG1 3.23Å; T245-I247 HydrophobicContact CG2-CG1 4.11Å
246	T	98.3	Very high	94.5	Very high	18 Å²	18	50.1 Å²	50.1	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.7	166.9	-58.5	0	0	0	0	109.5	T148 V211 T212 L241	T148-T246 WeakPolarHBondContact CG2-OG1 3.23Å; V211-T246 WeakPolarHBondContact CA-O 3.32Å; T212-T246 PolarHBondContact N-O 3.26Å; T212-T246 PolarHBondContact O-N 3.45Å; L241-T246 VanDerWaalsContact CD2-OG1 3.26Å; L241-T246 WeakPolarHBondContact CD2-OG1 3.23Å
247	I	98.4	Very high	94.5	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.7	172.5	-56.7	178.4	0	0	0	107.7	L104 H146 V147 F199 V209 V211 T245 L249	L104-I247 HydrophobicContact CD1-CG2 4.3Å; L104-I247 HydrophobicContact CD2-CD1 3.78Å; L104-I247 HydrophobicContact CD2-CG2 4.33Å; H146-I247 WeakPolarHBondContact CA-O 3.45Å; V147-I247 PolarHBondContact N-O 3.4Å; V147-I247 PolarHBondContact O-N 3.05Å; F199-I247 HydrophobicContact CE2-CD1 4.4Å; V209-I247 HydrophobicContact CG1-CG2 4.06Å; V211-I247 HydrophobicContact CG1-CG1 4.38Å; V211-I247 HydrophobicContact CG2-CG1 4.29Å; V211-I247 HydrophobicContact CG2-CG2 4.47Å; T245-I247 HydrophobicContact CG2-CG1 4.11Å; I247-L249 HydrophobicContact CG2-CD1 4.04Å
248	T	98.1	Very high	94.6	Very high	15 Å²	15	43.8 Å²	43.8	9%	0.092	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.6	176.9	-59.5	0	0	0	0	109	L144 L145 H146 I210	L144-T248 HydrophobicContact CB-CG2 4.33Å; L144-T248 HydrophobicContact CD1-CG2 4.19Å; L144-T248 HydrophobicContact CD2-CG2 4.09Å; L144-T248 HydrophobicContact CG-CG2 4.43Å; L145-T248 WeakPolarHBondContact O-CA 3.46Å; H146-T248 VanDerWaalsContact CE1-CG2 3.42Å; H146-T248 WeakPolarHBondContact CE1-CG2 3.28Å; H146-T248 WeakPolarHBondContact ND1-CG2 3.4Å; H146-T248 PolarHBondContact ND1-OG1 2.93Å; I210-T248 PolarHBondContact N-O 3.37Å; I210-T248 PolarHBondContact O-N 2.81Å
249	L	98.1	Very high	94.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.6	178.5	-63.4	88.9	0	0	0	108.3	F100 L104 L144 L145 A202 V205 A206 I247 L251	F100-L249 HydrophobicContact CD2-CD2 3.75Å; F100-L249 HydrophobicContact CE2-CD2 3.88Å; L104-L249 HydrophobicContact CD1-CD1 3.78Å; L104-L249 HydrophobicContact CD1-CD2 4.11Å; L104-L249 HydrophobicContact CD1-CG 4.46Å; L144-L249 WeakPolarHBondContact CA-O 3.44Å; L145-L249 HydrophobicContact CB-CB 4.34Å; L145-L249 HydrophobicContact CB-CD1 4.48Å; L145-L249 HydrophobicContact CG-CD1 4.48Å; L145-L249 PolarHBondContact N-O 2.62Å; L145-L249 WeakPolarHBondContact O-CD1 3.48Å; L145-L249 PolarHBondContact O-N 3.3Å; A202-L249 HydrophobicContact CB-CD2 4.06Å; V205-L249 HydrophobicContact CG2-CD2 4.07Å; A206-L249 HydrophobicContact CB-CB 3.98Å; A206-L249 HydrophobicContact CB-CD2 4.24Å; A206-L249 HydrophobicContact CB-CG 4.44Å; I247-L249 HydrophobicContact CG2-CD1 4.04Å; L249-L251 HydrophobicContact CB-CD2 4.24Å; L249-L251 PolarHBondContact O-N 3.44Å
250	V	97.5	Very high	94.9	Very high	42 Å²	42	42.5 Å²	42.5	26%	0.255	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	100.5	166.2	-172.5	0	0	0	0	106.6	L144 A206 D207 K208 I210	L144-V250 HydrophobicContact CD2-CB 4.19Å; L144-V250 HydrophobicContact CD2-CG1 4.35Å; L144-V250 HydrophobicContact CD2-CG2 3.74Å; A206-V250 CarbonylContact C-O 3.55Å; A206-V250 WeakPolarHBondContact CA-O 3.3Å; A206-V250 VanDerWaalsContact CB-O 3.31Å; A206-V250 WeakPolarHBondContact CB-O 3.43Å; D207-V250 PolarHBondContact N-O 3.25Å; K208-V250 HydrophobicContact CB-CB 4.01Å; K208-V250 HydrophobicContact CB-CG2 3.98Å; K208-V250 HydrophobicContact CD-CG2 4.28Å; K208-V250 HydrophobicContact CG-CG2 4.28Å; K208-V250 PolarHBondContact O-N 3.08Å; I210-V250 HydrophobicContact CD1-CG2 4.34Å
251	L	96.1	Very high	94.9	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	149.9	-170.3	-65.1	171.9	0	0	0	111.4	N143 L145 V205 L249 A255 L259	N143-L251 PolarHBondContact ND2-O 3.48Å; N143-L251 PolarHBondContact O-N 2.99Å; N143-L251 WeakPolarHBondContact OD1-CB 3.2Å; L145-L251 HydrophobicContact CB-CD1 4.23Å; L145-L251 HydrophobicContact CB-CG 4.46Å; V205-L251 HydrophobicContact CB-CD2 4.22Å; V205-L251 HydrophobicContact CG2-CD2 3.99Å; V205-L251 WeakPolarHBondContact O-CA 3.39Å; L249-L251 HydrophobicContact CB-CD2 4.24Å; L249-L251 PolarHBondContact O-N 3.44Å; L251-A255 HydrophobicContact CB-CB 4.48Å; L251-L259 HydrophobicContact CD1-CD1 4.3Å; L251-L259 HydrophobicContact CD1-CD2 3.52Å; L251-L259 HydrophobicContact CD1-CG 3.57Å
252	K	95.6	Very high	95	Very high	34 Å²	34	42.8 Å²	42.8	15%	0.148	22%	0.224	C	C	.	.			trans	-68.2	154.5	168.5	-67.8	172.4	-174.7	171.1	0	110	F203 L204 V205 A206 D207 E254 A255	F203-K252 PolarHBondContact O-NZ 2.66Å; L204-K252 PolarHBondContact O-NZ 3.41Å; V205-K252 PolarHBondContact O-N 3.35Å; A206-K252 WeakPolarHBondContact O-CE 3.33Å; D207-K252 VanDerWaalsContact CG-CG 3.49Å; D207-K252 VanDerWaalsContact OD1-CE 3.3Å; D207-K252 WeakPolarHBondContact OD1-CE 3.31Å; D207-K252 VanDerWaalsContact OD1-CG 3.29Å; D207-K252 WeakPolarHBondContact OD1-CG 3.29Å; D207-K252 WeakPolarHBondContact OD2-CG 3.33Å; K252-E254 HydrophobicContact CB-CG 3.82Å; K252-E254 HydrophobicContact CD-CG 4.48Å; K252-E254 PolarHBondContact O-N 3.14Å; K252-A255 HydrophobicContact CB-CB 4.16Å; K252-A255 WeakPolarHBondContact O-CB 3.37Å; K252-A255 PolarHBondContact O-N 3.14Å
253	E	92	Very high	95.2	Very high	175 Å²	175	44 Å²	44	82%	0.818	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-56.4	-41	176.1	-63.8	-173.9	170.3	0	0	111.9	A255 S256	E253-A255 PolarHBondContact O-N 3.34Å; E253-S256 PolarHBondContact O-N 3.19Å; E253-S256 PolarHBondContact O-OG 3.49Å
254	E	93.4	Very high	95.2	Very high	129 Å²	129	44 Å²	44	60%	0.603	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-68.6	-9.1	176.6	70.8	-152.8	-135.8	0	0	114.9	K97 K252	K97-E254 IonicContact NZ-OE1 3.75Å; K97-E254 PolarHBondContact NZ-OE1 3.39Å; K97-E254 VanDerWaalsContact NZ-OE1 3.08Å; K252-E254 HydrophobicContact CB-CG 3.82Å; K252-E254 HydrophobicContact CD-CG 4.48Å; K252-E254 PolarHBondContact O-N 3.14Å
255	A	94	Very high	95.1	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.033	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-107.7	14.9	-177	0	0	0	0	0	112.5	V205 L251 K252 E253 D257 Y258	V205-A255 HydrophobicContact CB-CB 3.94Å; V205-A255 HydrophobicContact CG1-CB 4.45Å; V205-A255 WeakPolarHBondContact O-CB 3.49Å; L251-A255 HydrophobicContact CB-CB 4.48Å; K252-A255 HydrophobicContact CB-CB 4.16Å; K252-A255 WeakPolarHBondContact O-CB 3.37Å; K252-A255 PolarHBondContact O-N 3.14Å; E253-A255 PolarHBondContact O-N 3.34Å; A255-D257 PolarHBondContact O-N 2.92Å; A255-D257 VanDerWaalsContact O-N 3.13Å; A255-Y258 HydrophobicContact CB-CD2 4.01Å; A255-Y258 HydrophobicContact CB-CE2 4.35Å; A255-Y258 VanDerWaalsContact O-CD2 3.32Å; A255-Y258 WeakPolarHBondContact O-CD2 3.34Å; A255-Y258 PolarHBondContact O-N 3.22Å; A255-Y258 VanDerWaalsContact O-N 3.14Å
256	S	92.1	Very high	94.8	Very high	54 Å²	54	50.1 Å²	50.1	38%	0.378	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-58.7	-24.8	-179.3	-61.6	0	0	0	0	113.4	E253 Y258 L259	E253-S256 PolarHBondContact O-N 3.19Å; E253-S256 PolarHBondContact O-OG 3.49Å; S256-Y258 PolarHBondContact O-N 2.93Å; S256-Y258 VanDerWaalsContact O-N 3.13Å; S256-L259 WeakPolarHBondContact O-CB 3.45Å; S256-L259 PolarHBondContact O-N 2.8Å
257	D	93.8	Very high	94.6	Very high	110 Å²	110	49.7 Å²	49.7	59%	0.588	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-56.6	-28.5	176.4	-64.9	-19.8	0	0	0	113	A255 L259 E260 T263	A255-D257 PolarHBondContact O-N 2.92Å; A255-D257 VanDerWaalsContact O-N 3.13Å; D257-L259 PolarHBondContact O-N 2.72Å; D257-E260 WeakPolarHBondContact O-CB 3.35Å; D257-E260 PolarHBondContact O-N 2.65Å; D257-T263 VanDerWaalsContact O-CB 3.25Å; D257-T263 WeakPolarHBondContact O-CB 3.35Å; D257-T263 WeakPolarHBondContact O-CG2 3.24Å; D257-T263 PolarHBondContact O-OG1 3.26Å; D257-T263 VanDerWaalsContact O-OG1 3.12Å
258	Y	94.8	Very high	94.4	Very high	34 Å²	34	49 Å²	49	13%	0.133	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-80.2	0.3	178.5	-57.9	-69.9	0	0	0	113.6	E98 F100 V205 A255 S256 T263 I264 L267	E98-Y258 HydrophobicContact CB-CE1 4.35Å; E98-Y258 PolarHBondContact N-OH 2.74Å; F100-Y258 AromaticContact CE1-CD1 3.68Å; F100-Y258 HydrophobicContact CE1-CD1 3.68Å; F100-Y258 HydrophobicContact CE1-CD2 4.21Å; F100-Y258 AromaticContact CE1-CE1 3.75Å; F100-Y258 HydrophobicContact CE1-CE1 3.75Å; F100-Y258 HydrophobicContact CE1-CE2 4.31Å; F100-Y258 AromaticContact CE1-CG 3.91Å; F100-Y258 HydrophobicContact CE1-CG 3.91Å; F100-Y258 HydrophobicContact CZ-CD1 4.09Å; F100-Y258 HydrophobicContact CZ-CG 4.11Å; V205-Y258 HydrophobicContact CB-CD2 4.33Å; V205-Y258 HydrophobicContact CB-CE2 4.32Å; V205-Y258 HydrophobicContact CG1-CD2 3.99Å; V205-Y258 HydrophobicContact CG1-CE2 3.51Å; A255-Y258 HydrophobicContact CB-CD2 4.01Å; A255-Y258 HydrophobicContact CB-CE2 4.35Å; A255-Y258 VanDerWaalsContact O-CD2 3.32Å; A255-Y258 WeakPolarHBondContact O-CD2 3.34Å; A255-Y258 PolarHBondContact O-N 3.22Å; A255-Y258 VanDerWaalsContact O-N 3.14Å; S256-Y258 PolarHBondContact O-N 2.93Å; S256-Y258 VanDerWaalsContact O-N 3.13Å; Y258-T263 HydrophobicContact CD1-CG2 4.06Å; Y258-T263 HydrophobicContact CE1-CG2 4.48Å; Y258-I264 VanDerWaalsContact O-CD1 3.31Å; Y258-I264 WeakPolarHBondContact O-CD1 3.33Å; Y258-I264 VanDerWaalsContact O-CG1 3.28Å; Y258-I264 WeakPolarHBondContact O-CG1 3.11Å; Y258-L267 HydrophobicContact CD1-CD1 3.6Å; Y258-L267 HydrophobicContact CE1-CD1 3.71Å
259	L	93.6	Very high	94	Very high	11 Å²	11	53.1 Å²	53.1	6%	0.058	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-90.7	-12.5	167	-63.2	170.6	0	0	0	112.5	C138 K140 N143 L144 L251 S256 D257	C138-L259 HydrophobicContact CB-CD2 4.45Å; K140-L259 WeakPolarHBondContact CE-O 3.37Å; K140-L259 HydrophobicContact CG-CB 3.9Å; N143-L259 WeakPolarHBondContact OD1-CD1 3.41Å; L144-L259 WeakPolarHBondContact O-CD2 3.42Å; L251-L259 HydrophobicContact CD1-CD1 4.3Å; L251-L259 HydrophobicContact CD1-CD2 3.52Å; L251-L259 HydrophobicContact CD1-CG 3.57Å; S256-L259 WeakPolarHBondContact O-CB 3.45Å; S256-L259 PolarHBondContact O-N 2.8Å; D257-L259 PolarHBondContact O-N 2.72Å
260	E	94.3	Very high	93.6	Very high	90 Å²	90	56.9 Å²	56.9	42%	0.421	29%	0.285	S	S	.	.	S	Bend	trans	-74.7	128.5	173.3	-64	-54.8	138.9	0	0	110.5	K140 D257 D262 T263 I264	K140-E260 WeakPolarHBondContact CE-OE1 3.4Å; K140-E260 IonicContact NZ-OE1 3.76Å; K140-E260 PolarHBondContact NZ-OE1 3.25Å; K140-E260 IonicContact NZ-OE2 3.93Å; K140-E260 PolarHBondContact NZ-OE2 3.01Å; D257-E260 WeakPolarHBondContact O-CB 3.35Å; D257-E260 PolarHBondContact O-N 2.65Å; E260-D262 VanDerWaalsContact C-N 3.34Å; E260-D262 PolarHBondContact O-N 3.41Å; E260-T263 WeakPolarHBondContact O-CB 3.08Å; E260-T263 PolarHBondContact O-N 3.11Å; E260-I264 PolarHBondContact O-N 3.09Å
261	L	92.4	Very high	93.2	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-44.1	-173.6	-80	89.6	0	0	0	111.7	T263 I264 K265 W282 W331	L261-T263 VanDerWaalsContact C-N 3.26Å; L261-T263 PolarHBondContact O-N 2.9Å; L261-I264 PolarHBondContact O-N 3.12Å; L261-K265 WeakPolarHBondContact O-CB 3.34Å; L261-K265 VanDerWaalsContact O-CG 3.3Å; L261-K265 WeakPolarHBondContact O-CG 3.14Å; L261-K265 PolarHBondContact O-N 3.31Å; L261-W282 WeakPolarHBondContact CD2-O 3.3Å; L261-W331 HydrophobicContact CD1-CH2 4.25Å; L261-W331 HydrophobicContact CD1-CZ3 4.43Å; L261-W331 HydrophobicContact CD2-CH2 4.45Å; L261-W331 HydrophobicContact CD2-CZ3 3.97Å
262	D	93.1	Very high	92.8	Very high	113 Å²	113	55.4 Å²	55.4	60%	0.604	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-34.5	-178.6	-69.1	-32	0	0	0	112	E260 K265 N266	E260-D262 VanDerWaalsContact C-N 3.34Å; E260-D262 PolarHBondContact O-N 3.41Å; D262-K265 PolarHBondContact O-N 2.81Å; D262-N266 VanDerWaalsContact O-CB 3.3Å; D262-N266 WeakPolarHBondContact O-CB 3.3Å; D262-N266 PolarHBondContact O-N 2.9Å; D262-N266 PolarHBondContact O-ND2 3.36Å
263	T	94.8	Very high	92.4	Very high	46 Å²	46	54.6 Å²	54.6	28%	0.282	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-52.2	174.1	-55.2	0	0	0	0	110.3	D257 Y258 E260 L261 K265 N266 L267	D257-T263 VanDerWaalsContact O-CB 3.25Å; D257-T263 WeakPolarHBondContact O-CB 3.35Å; D257-T263 WeakPolarHBondContact O-CG2 3.24Å; D257-T263 PolarHBondContact O-OG1 3.26Å; D257-T263 VanDerWaalsContact O-OG1 3.12Å; Y258-T263 HydrophobicContact CD1-CG2 4.06Å; Y258-T263 HydrophobicContact CE1-CG2 4.48Å; E260-T263 WeakPolarHBondContact O-CB 3.08Å; E260-T263 PolarHBondContact O-N 3.11Å; L261-T263 VanDerWaalsContact C-N 3.26Å; L261-T263 PolarHBondContact O-N 2.9Å; T263-K265 PolarHBondContact O-N 3.31Å; T263-N266 PolarHBondContact O-N 3.37Å; T263-L267 HydrophobicContact CG2-CD1 3.81Å; T263-L267 WeakPolarHBondContact O-CB 3.42Å; T263-L267 WeakPolarHBondContact O-CD1 3.25Å; T263-L267 WeakPolarHBondContact O-CG 3.25Å; T263-L267 PolarHBondContact O-N 3.39Å
264	I	94.8	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-44	177.7	-66.4	-61.4	0	0	0	111.4	L101 I136 L145 Y258 E260 L261 N266 L267 V268 V281	L101-I264 HydrophobicContact CD2-CD1 4.01Å; L101-I264 HydrophobicContact CD2-CG2 4.33Å; I136-I264 HydrophobicContact CG2-CG2 3.92Å; L145-I264 HydrophobicContact CD1-CD1 4.24Å; L145-I264 HydrophobicContact CD2-CD1 4.08Å; Y258-I264 VanDerWaalsContact O-CD1 3.31Å; Y258-I264 WeakPolarHBondContact O-CD1 3.33Å; Y258-I264 VanDerWaalsContact O-CG1 3.28Å; Y258-I264 WeakPolarHBondContact O-CG1 3.11Å; E260-I264 PolarHBondContact O-N 3.09Å; L261-I264 PolarHBondContact O-N 3.12Å; I264-N266 VanDerWaalsContact C-N 3.33Å; I264-N266 PolarHBondContact O-N 3.19Å; I264-L267 HydrophobicContact CD1-CD1 4.34Å; I264-L267 PolarHBondContact O-N 3.08Å; I264-V268 HydrophobicContact CG2-CG2 4.35Å; I264-V268 WeakPolarHBondContact O-CG2 3.33Å; I264-V268 PolarHBondContact O-N 3.47Å; I264-V281 HydrophobicContact CG2-CG1 4.22Å; I264-V281 HydrophobicContact CG2-CG2 4.04Å
265	K	93.8	Very high	92	Very high	29 Å²	29	40.6 Å²	40.6	13%	0.126	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-46.1	177.8	-74	-176.4	-172.7	-167.1	0	111.7	L261 D262 T263 K269 V281 S283 E334 M336	L261-K265 WeakPolarHBondContact O-CB 3.34Å; L261-K265 VanDerWaalsContact O-CG 3.3Å; L261-K265 WeakPolarHBondContact O-CG 3.14Å; L261-K265 PolarHBondContact O-N 3.31Å; D262-K265 PolarHBondContact O-N 2.81Å; T263-K265 PolarHBondContact O-N 3.31Å; K265-K269 WeakPolarHBondContact O-CB 3.27Å; K265-K269 VanDerWaalsContact O-CG 3.32Å; K265-K269 WeakPolarHBondContact O-CG 3.46Å; K265-K269 PolarHBondContact O-N 3.22Å; K265-V281 HydrophobicContact CG-CG1 4.45Å; K265-S283 WeakPolarHBondContact CE-OG 3.26Å; K265-S283 PolarHBondContact NZ-OG 2.68Å; K265-E334 WeakPolarHBondContact CE-OE2 3.42Å; K265-E334 IonicContact NZ-OE1 3.56Å; K265-E334 IonicContact NZ-OE2 3.62Å; K265-E334 PolarHBondContact NZ-OE2 2.78Å; K265-M336 VanDerWaalsContact CA-CE 3.47Å; K265-M336 HydrophobicContact CB-CE 3.64Å; K265-M336 HydrophobicContact CB-SD 4.48Å; K265-M336 HydrophobicContact CG-CE 3.77Å; K265-M336 HydrophobicContact CG-SD 3.95Å; K265-M336 WeakPolarHBondContact O-CE 3.33Å
266	N	92.7	Very high	91.6	Very high	104 Å²	104	43.9 Å²	43.9	56%	0.556	22%	0.224	S	C	*	.	H	α-helix	trans	-66.6	-37.8	179.1	-72	-32.6	0	0	0	112.1	D262 T263 I264 K269 K270	D262-N266 VanDerWaalsContact O-CB 3.3Å; D262-N266 WeakPolarHBondContact O-CB 3.3Å; D262-N266 PolarHBondContact O-N 2.9Å; D262-N266 PolarHBondContact O-ND2 3.36Å; T263-N266 PolarHBondContact O-N 3.37Å; I264-N266 VanDerWaalsContact C-N 3.33Å; I264-N266 PolarHBondContact O-N 3.19Å; N266-K269 PolarHBondContact O-N 2.9Å; N266-K270 VanDerWaalsContact O-CB 3.26Å; N266-K270 WeakPolarHBondContact O-CB 3.47Å; N266-K270 PolarHBondContact O-N 3.42Å
267	L	93.7	Very high	91.6	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-46.5	177.1	-72.7	161.9	0	0	0	112.4	E98 L101 Y258 T263 I264 K269 K270 Y271	E98-L267 HydrophobicContact CB-CD2 3.58Å; E98-L267 HydrophobicContact CG-CD2 4.08Å; E98-L267 WeakPolarHBondContact OE2-CD2 3.47Å; L101-L267 HydrophobicContact CD2-CB 3.84Å; L101-L267 HydrophobicContact CD2-CD1 4.46Å; Y258-L267 HydrophobicContact CD1-CD1 3.6Å; Y258-L267 HydrophobicContact CE1-CD1 3.71Å; T263-L267 HydrophobicContact CG2-CD1 3.81Å; T263-L267 WeakPolarHBondContact O-CB 3.42Å; T263-L267 WeakPolarHBondContact O-CD1 3.25Å; T263-L267 WeakPolarHBondContact O-CG 3.25Å; T263-L267 PolarHBondContact O-N 3.39Å; I264-L267 HydrophobicContact CD1-CD1 4.34Å; I264-L267 PolarHBondContact O-N 3.08Å; L267-K269 VanDerWaalsContact C-N 3.35Å; L267-K269 PolarHBondContact O-N 3.34Å; L267-K270 PolarHBondContact O-N 2.83Å; L267-Y271 HydrophobicContact CD2-CD2 4.49Å; L267-Y271 HydrophobicContact CD2-CE2 4.16Å; L267-Y271 WeakPolarHBondContact O-CD2 3.44Å; L267-Y271 PolarHBondContact O-N 2.85Å
268	V	93.4	Very high	91.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-45.1	176.6	178	0	0	0	0	110.1	L101 I105 I136 I264 K270 S272 Q273 I279 V281 M336	L101-V268 HydrophobicContact CD2-CG2 3.92Å; I105-V268 HydrophobicContact CD1-CG2 4Å; I136-V268 HydrophobicContact CD1-CG2 3.7Å; I264-V268 HydrophobicContact CG2-CG2 4.35Å; I264-V268 WeakPolarHBondContact O-CG2 3.33Å; I264-V268 PolarHBondContact O-N 3.47Å; V268-K270 VanDerWaalsContact C-N 3.3Å; V268-K270 PolarHBondContact O-N 3.41Å; V268-S272 CarbonylContact O-C 3.53Å; V268-S272 WeakPolarHBondContact O-CA 3.24Å; V268-S272 WeakPolarHBondContact O-CB 3.31Å; V268-S272 PolarHBondContact O-N 3.02Å; V268-Q273 PolarHBondContact O-N 3.43Å; V268-I279 HydrophobicContact CG1-CB 4.38Å; V268-I279 HydrophobicContact CG1-CD1 4.14Å; V268-I279 HydrophobicContact CG1-CG2 3.86Å; V268-V281 HydrophobicContact CG2-CG2 4.43Å; V268-M336 HydrophobicContact CB-CB 4.42Å; V268-M336 HydrophobicContact CB-CE 4.43Å; V268-M336 HydrophobicContact CG1-CB 3.59Å; V268-M336 HydrophobicContact CG1-CG 4.08Å
269	K	90.2	Very high	91.7	Very high	101 Å²	101	37.1 Å²	37.1	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-63.3	-33.8	176.6	-73.5	179.1	-179.4	-177.9	0	113.1	K265 N266 L267 Q273 M336	K265-K269 WeakPolarHBondContact O-CB 3.27Å; K265-K269 VanDerWaalsContact O-CG 3.32Å; K265-K269 WeakPolarHBondContact O-CG 3.46Å; K265-K269 PolarHBondContact O-N 3.22Å; N266-K269 PolarHBondContact O-N 2.9Å; L267-K269 VanDerWaalsContact C-N 3.35Å; L267-K269 PolarHBondContact O-N 3.34Å; K269-Q273 WeakPolarHBondContact O-CB 3.1Å; K269-M336 HydrophobicContact CD-CE 4.19Å; K269-M336 HydrophobicContact CG-CE 3.88Å
270	K	88.8	Confident	91.9	Very high	80 Å²	80	39.5 Å²	39.5	35%	0.348	20%	0.196	S	C	.	.	H	α-helix	trans	-70.7	-48.4	179	-179.8	174.4	172.5	-172.8	0	111.9	E98 N266 L267 V268 F417	E98-K270 IonicContact OE1-NZ 3.72Å; E98-K270 PolarHBondContact OE1-NZ 2.94Å; E98-K270 IonicContact OE2-NZ 2.75Å; E98-K270 PolarHBondContact OE2-NZ 2.99Å; N266-K270 VanDerWaalsContact O-CB 3.26Å; N266-K270 WeakPolarHBondContact O-CB 3.47Å; N266-K270 PolarHBondContact O-N 3.42Å; L267-K270 PolarHBondContact O-N 2.83Å; V268-K270 VanDerWaalsContact C-N 3.3Å; V268-K270 PolarHBondContact O-N 3.41Å; K270-F417 HydrophobicContact CG-CD1 4.41Å; K270-F417 HydrophobicContact CG-CE1 4.46Å; K270-F417 WeakPolarHBondContact O-CB 3.41Å
271	Y	89.1	Confident	92	Very high	12 Å²	12	35.3 Å²	35.3	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-101.8	-30.4	-168.2	-68.8	-69.3	0	0	0	115.4	E98 R102 L267 F417	E98-Y271 HydrophobicContact CG-CE2 3.83Å; E98-Y271 WeakPolarHBondContact CG-OH 3.37Å; E98-Y271 PolarHBondContact OE1-OH 2.95Å; R102-Y271 HydrophobicContact CB-CD1 4.31Å; R102-Y271 HydrophobicContact CB-CD2 4.44Å; R102-Y271 HydrophobicContact CB-CG 3.96Å; R102-Y271 HydrophobicContact CG-CD1 4.24Å; R102-Y271 HydrophobicContact CG-CG 4.22Å; L267-Y271 HydrophobicContact CD2-CD2 4.49Å; L267-Y271 HydrophobicContact CD2-CE2 4.16Å; L267-Y271 WeakPolarHBondContact O-CD2 3.44Å; L267-Y271 PolarHBondContact O-N 2.85Å; Y271-F417 HydrophobicContact CD1-CB 4.42Å; Y271-F417 AromaticContact CD1-CD1 3.82Å; Y271-F417 HydrophobicContact CD1-CD1 3.82Å; Y271-F417 AromaticContact CE1-CD1 3.89Å; Y271-F417 HydrophobicContact CE1-CD1 3.89Å; Y271-F417 HydrophobicContact CE1-CE1 4.42Å; Y271-F417 PolarHBondContact O-N 2.64Å
272	S	88.4	Confident	92.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.181	C	C	.	.	S	Bend	trans	-127	14.5	-161	-65.3	0	0	0	0	113.5	V268 F274 I275	V268-S272 CarbonylContact O-C 3.53Å; V268-S272 WeakPolarHBondContact O-CA 3.24Å; V268-S272 WeakPolarHBondContact O-CB 3.31Å; V268-S272 PolarHBondContact O-N 3.02Å; S272-F274 PolarHBondContact O-N 3.22Å; S272-F274 VanDerWaalsContact O-N 3.16Å; S272-I275 PolarHBondContact O-N 3.17Å; S272-I275 WeakPolarHBondContact OG-CD1 3.41Å
273	Q	86.6	Confident	92	Very high	18 Å²	18	31.7 Å²	31.7	8%	0.084	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	-177.9	62.1	176.5	-30.7	0	0	114.9	V268 K269 N337 Y412	V268-Q273 PolarHBondContact O-N 3.43Å; K269-Q273 WeakPolarHBondContact O-CB 3.1Å; Q273-N337 WeakPolarHBondContact O-CB 3.38Å; Q273-Y412 PolarHBondContact NE2-OH 3.05Å
274	F	89	Confident	91.6	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	13.4	-176.1	-58.1	-51.5	0	0	0	113.7	S272 I339 P341 W343 F358 F362 Y412 R415	S272-F274 PolarHBondContact O-N 3.22Å; S272-F274 VanDerWaalsContact O-N 3.16Å; F274-I339 HydrophobicContact CE1-CB 3.94Å; F274-I339 HydrophobicContact CE1-CG2 3.7Å; F274-P341 HydrophobicContact CB-CB 4.48Å; F274-W343 HydrophobicContact CB-CH2 4.16Å; F274-W343 HydrophobicContact CB-CZ2 4.17Å; F274-W343 AromaticContact CD1-CH2 3.58Å; F274-W343 HydrophobicContact CD1-CH2 3.58Å; F274-W343 HydrophobicContact CD1-CZ2 4.4Å; F274-W343 HydrophobicContact CD1-CZ3 4.36Å; F274-W343 AromaticContact CD2-CH2 3.37Å; F274-W343 HydrophobicContact CD2-CH2 3.37Å; F274-W343 AromaticContact CD2-CZ2 3.85Å; F274-W343 HydrophobicContact CD2-CZ2 3.85Å; F274-W343 AromaticContact CE1-CH2 3.69Å; F274-W343 HydrophobicContact CE1-CH2 3.69Å; F274-W343 HydrophobicContact CE1-CZ3 4.13Å; F274-W343 AromaticContact CE2-CH2 3.48Å; F274-W343 HydrophobicContact CE2-CH2 3.48Å; F274-W343 VanDerWaalsContact CE2-CH2 3.48Å; F274-W343 HydrophobicContact CE2-CZ2 4.32Å; F274-W343 HydrophobicContact CE2-CZ3 4.27Å; F274-W343 AromaticContact CG-CH2 3.42Å; F274-W343 HydrophobicContact CG-CH2 3.42Å; F274-W343 VanDerWaalsContact CG-CH2 3.42Å; F274-W343 AromaticContact CG-CZ2 3.89Å; F274-W343 HydrophobicContact CG-CZ2 3.89Å; F274-W343 AromaticContact CZ-CH2 3.65Å; F274-W343 HydrophobicContact CZ-CH2 3.65Å; F274-W343 HydrophobicContact CZ-CZ3 4.08Å; F274-F358 AromaticContact CE1-CE2 3.89Å; F274-F358 HydrophobicContact CE1-CE2 3.89Å; F274-F358 AromaticContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CZ 4.15Å; F274-F362 HydrophobicContact CE2-CD2 4.49Å; F274-F362 HydrophobicContact CZ-CD2 4.11Å; F274-Y412 AromaticContact CD2-CD1 3.97Å; F274-Y412 HydrophobicContact CD2-CD1 3.97Å; F274-Y412 AromaticContact CD2-CE1 3.5Å; F274-Y412 HydrophobicContact CD2-CE1 3.5Å; F274-Y412 HydrophobicContact CD2-CE2 4.31Å; F274-Y412 AromaticContact CD2-CZ 3.74Å; F274-Y412 AromaticContact CE2-CE1 3.84Å; F274-Y412 HydrophobicContact CE2-CE1 3.84Å; F274-Y412 HydrophobicContact CE2-CE2 4.05Å; F274-Y412 AromaticContact CE2-CZ 3.56Å; F274-R415 HydrophobicContact CB-CB 4.06Å; F274-R415 WeakPolarHBondContact O-CB 3.28Å; F274-R415 WeakPolarHBondContact O-CD 3.45Å
275	I	88.1	Confident	90.7	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	18%	0.179	C	C	.	.			trans	-64.5	138.6	169.8	-66	-177.5	0	0	0	108.2	I105 S109 S272 F277 I279 N337	I105-I275 HydrophobicContact CB-CD1 4.41Å; I105-I275 HydrophobicContact CG2-CD1 3.44Å; I105-I275 VanDerWaalsContact CG2-CD1 3.44Å; S109-I275 WeakPolarHBondContact OG-CG2 3.37Å; S272-I275 PolarHBondContact O-N 3.17Å; S272-I275 WeakPolarHBondContact OG-CD1 3.41Å; I275-F277 PolarHBondContact O-N 3.11Å; I275-I279 HydrophobicContact CB-CD1 4.25Å; I275-I279 HydrophobicContact CD1-CD1 4.47Å; I275-N337 PolarHBondContact O-ND2 3.33Å
276	N	86	Confident	89.8	Confident	74 Å²	74	40 Å²	40	40%	0.396	20%	0.199	S	C	.	.	S	Bend	trans	-68.9	-21.7	-167.4	-161.2	37.5	0	0	0	113.9	R116 R415	R116-N276 PolarHBondContact NH1-ND2 3.42Å; N276-R415 PolarHBondContact OD1-NH1 3.1Å
277	F	91.8	Very high	88.8	Confident	12 Å²	12	40 Å²	40	5%	0.053	20%	0.196	C	C	.	.	S	Bend	trans	-100.1	143.1	-175.4	-63.2	-75.5	0	0	0	111.9	L112 D113 L132 I275 I279 N337	L112-F277 HydrophobicContact CB-CD1 4.02Å; L112-F277 HydrophobicContact CB-CD2 3.72Å; L112-F277 HydrophobicContact CB-CE1 3.87Å; L112-F277 HydrophobicContact CB-CE2 3.55Å; L112-F277 HydrophobicContact CB-CG 3.94Å; L112-F277 HydrophobicContact CB-CZ 3.63Å; L112-F277 HydrophobicContact CD1-CB 3.64Å; L112-F277 HydrophobicContact CD1-CD1 4.07Å; L112-F277 HydrophobicContact CD1-CD2 3.9Å; L112-F277 HydrophobicContact CD1-CG 3.59Å; L112-F277 HydrophobicContact CG-CD2 4.47Å; L112-F277 HydrophobicContact CG-CG 4.38Å; D113-F277 HydrophobicContact CB-CE2 4.33Å; D113-F277 HydrophobicContact CB-CZ 4.47Å; D113-F277 VanDerWaalsContact OD1-CE2 3.27Å; D113-F277 WeakPolarHBondContact OD1-CE2 3.48Å; D113-F277 WeakPolarHBondContact OD1-CZ 3.25Å; L132-F277 HydrophobicContact CB-CD1 3.96Å; L132-F277 HydrophobicContact CB-CE1 4.08Å; L132-F277 HydrophobicContact CD1-CE1 3.99Å; I275-F277 PolarHBondContact O-N 3.11Å; F277-I279 PolarHBondContact O-N 3Å; F277-N337 PolarHBondContact O-ND2 3.08Å
278	P	94.9	Very high	87.6	Confident	44 Å²	44	44 Å²	44	29%	0.286	22%	0.221	S	C	.	.			trans	-56.5	126.7	176.6	-26.3	35.2	0	0	0	112.8	T133 V134 Y280 L335	T133-P278 HydrophobicContact CG2-CB 4.3Å; V134-P278 PolarHBondContact N-O 3.36Å; P278-Y280 HydrophobicContact CB-CD2 4.33Å; P278-Y280 HydrophobicContact CB-CE2 3.49Å; P278-Y280 VanDerWaalsContact CB-CE2 3.49Å; P278-L335 HydrophobicContact CB-CD1 3.87Å
279	I	96.4	Very high	86.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.9	174.9	-54.4	169.4	0	0	0	108.2	I105 V134 I136 V268 I275 F277 M336 N337	I105-I279 HydrophobicContact CG2-CD1 3.68Å; I105-I279 HydrophobicContact CG2-CG1 4.38Å; V134-I279 HydrophobicContact CB-CG1 4.31Å; V134-I279 CarbonylContact O-C 3.48Å; V134-I279 WeakPolarHBondContact O-CA 3.07Å; I136-I279 HydrophobicContact CD1-CG2 3.94Å; V268-I279 HydrophobicContact CG1-CB 4.38Å; V268-I279 HydrophobicContact CG1-CD1 4.14Å; V268-I279 HydrophobicContact CG1-CG2 3.86Å; I275-I279 HydrophobicContact CB-CD1 4.25Å; I275-I279 HydrophobicContact CD1-CD1 4.47Å; F277-I279 PolarHBondContact O-N 3Å; I279-M336 HydrophobicContact CB-CB 4.46Å; I279-M336 WeakPolarHBondContact O-CB 3.46Å; I279-M336 PolarHBondContact O-N 3.39Å; I279-N337 PolarHBondContact N-OD1 3.21Å
280	Y	96.8	Very high	84.9	Confident	61 Å²	61	47.2 Å²	47.2	24%	0.239	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	141	178.4	-59	-86.6	0	0	0	111.5	T133 V134 K135 I136 P278 W333 E334 L335	T133-Y280 HydrophobicContact CG2-CD2 4.45Å; T133-Y280 HydrophobicContact CG2-CE2 3.74Å; V134-Y280 PolarHBondContact O-N 3.17Å; K135-Y280 HydrophobicContact CG-CD2 4.26Å; I136-Y280 PolarHBondContact N-O 2.81Å; P278-Y280 HydrophobicContact CB-CD2 4.33Å; P278-Y280 HydrophobicContact CB-CE2 3.49Å; P278-Y280 VanDerWaalsContact CB-CE2 3.49Å; Y280-W333 HydrophobicContact CD1-CB 4.01Å; Y280-W333 HydrophobicContact CG-CB 4.2Å; Y280-E334 CarbonylContact C-O 3.51Å; Y280-E334 VanDerWaalsContact CA-O 3.23Å; Y280-E334 WeakPolarHBondContact CA-O 3.34Å; Y280-L335 HydrophobicContact CD1-CB 4.18Å; Y280-L335 HydrophobicContact CD1-CD1 4.36Å; Y280-L335 HydrophobicContact CE1-CB 3.96Å; Y280-L335 HydrophobicContact CE1-CD1 3.95Å
281	V	96.8	Very high	83.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.6	171.4	175.3	0	0	0	0	108.9	I136 I264 K265 V268 S283 E334 M336	I136-V281 HydrophobicContact CB-CG2 4.21Å; I136-V281 HydrophobicContact CD1-CG2 4.35Å; I136-V281 WeakPolarHBondContact O-CA 3.34Å; I264-V281 HydrophobicContact CG2-CG1 4.22Å; I264-V281 HydrophobicContact CG2-CG2 4.04Å; K265-V281 HydrophobicContact CG-CG1 4.45Å; V268-V281 HydrophobicContact CG2-CG2 4.43Å; V281-S283 PolarHBondContact O-N 3.23Å; V281-S283 PolarHBondContact O-OG 3.34Å; V281-E334 PolarHBondContact N-O 3.45Å; V281-E334 PolarHBondContact O-N 2.88Å; V281-M336 HydrophobicContact CB-CG 4.07Å; V281-M336 HydrophobicContact CB-SD 4.01Å; V281-M336 HydrophobicContact CG2-CG 3.46Å; V281-M336 VanDerWaalsContact CG2-CG 3.46Å; V281-M336 HydrophobicContact CG2-SD 3.84Å
282	W	95.4	Very high	81.9	Confident	64 Å²	64	50.7 Å²	50.7	24%	0.242	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	106	175.1	-170.7	-107.6	0	0	0	109.9	I136 K137 L261 W331 W333	I136-W282 PolarHBondContact O-N 3.16Å; K137-W282 HydrophobicContact CB-CB 4.11Å; K137-W282 HydrophobicContact CD-CG 4.39Å; K137-W282 HydrophobicContact CG-CB 4.01Å; K137-W282 HydrophobicContact CG-CG 4.17Å; L261-W282 WeakPolarHBondContact CD2-O 3.3Å; W282-W331 AromaticContact CD1-CE3 3.37Å; W282-W331 AromaticContact CD1-CZ3 3.85Å; W282-W331 HydrophobicContact CG-CE3 4.26Å; W282-W331 HydrophobicContact CH2-CB 4.17Å; W282-W331 VanDerWaalsContact CH2-O 3.31Å; W282-W331 WeakPolarHBondContact CH2-O 3.5Å; W282-W331 HydrophobicContact CZ2-CB 3.39Å; W282-W331 HydrophobicContact CZ2-CG 4.45Å; W282-W331 AromaticContact NE1-CD2 3.79Å; W282-W331 AromaticContact NE1-CE3 3.36Å; W282-W331 AromaticContact NE1-CG 3.96Å; W282-W333 HydrophobicContact CB-CE3 4.19Å; W282-W333 HydrophobicContact CB-CH2 4.18Å; W282-W333 HydrophobicContact CB-CZ3 3.87Å; W282-W333 AromaticContact CE3-CD1 3.85Å; W282-W333 AromaticContact CE3-CD2 3.62Å; W282-W333 HydrophobicContact CE3-CD2 3.62Å; W282-W333 AromaticContact CE3-CE2 3.46Å; W282-W333 VanDerWaalsContact CE3-CE2 3.46Å; W282-W333 HydrophobicContact CE3-CE3 4.15Å; W282-W333 AromaticContact CE3-CG 3.89Å; W282-W333 HydrophobicContact CE3-CG 3.89Å; W282-W333 HydrophobicContact CE3-CH2 4.41Å; W282-W333 AromaticContact CE3-CZ2 3.9Å; W282-W333 HydrophobicContact CE3-CZ2 3.9Å; W282-W333 AromaticContact CE3-NE1 3.6Å; W282-W333 AromaticContact CZ3-CD1 3.6Å; W282-W333 HydrophobicContact CZ3-CD2 4.18Å; W282-W333 AromaticContact CZ3-CE2 3.84Å; W282-W333 HydrophobicContact CZ3-CG 4.06Å; W282-W333 HydrophobicContact CZ3-CZ2 4.5Å; W282-W333 AromaticContact CZ3-NE1 3.46Å
283	S	89.7	Confident	80.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.007	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	145.5	-168.1	-59	0	0	0	0	111.9	K265 V281 W331 D332 E334	K265-S283 WeakPolarHBondContact CE-OG 3.26Å; K265-S283 PolarHBondContact NZ-OG 2.68Å; V281-S283 PolarHBondContact O-N 3.23Å; V281-S283 PolarHBondContact O-OG 3.34Å; S283-W331 WeakPolarHBondContact O-CA 3.45Å; S283-D332 PolarHBondContact N-O 2.75Å; S283-D332 PolarHBondContact O-N 2.9Å; S283-E334 WeakPolarHBondContact CB-OE2 3.48Å; S283-E334 PolarHBondContact OG-OE2 3.08Å
284	S	86.6	Confident	78.5	Confident	49 Å²	49	58.4 Å²	58.4	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.3	171.4	47	0	0	0	0	111.4	T329 V330	S284-T329 VanDerWaalsContact CB-CG2 3.41Å; S284-V330 CarbonylContact C-O 3.58Å; S284-V330 WeakPolarHBondContact CA-O 3.38Å
285	K	77.4	Confident	76.7	Confident	110 Å²	110	67 Å²	67	48%	0.478	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.6	167.2	-69.2	178.3	-177.7	171.6	0	108.7	T329 V330	K285-T329 WeakPolarHBondContact O-CA 3.31Å; K285-V330 PolarHBondContact N-O 3.12Å; K285-V330 PolarHBondContact O-N 3.28Å
286	T	75.1	Confident	75	Confident	91 Å²	91	74.3 Å²	74.3	56%	0.558	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.4	173.1	-51.3	0	0	0	0	108	E327	T286-E327 HydrophobicContact CG2-CB 3.7Å; T286-E327 HydrophobicContact CG2-CG 4.02Å
287	E	71.1	Confident	73.3	Confident	103 Å²	103	74.8 Å²	74.8	48%	0.481	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	134.9	174.1	-68.3	-171.7	168	0	0	109.4	V289 K328 V330	E287-V289 PolarHBondContact O-N 3.36Å; E287-K328 PolarHBondContact N-O 2.91Å; E287-K328 PolarHBondContact O-N 2.93Å; E287-V330 HydrophobicContact CB-CG2 4.37Å; E287-V330 HydrophobicContact CG-CG2 4.48Å
288	T	68.8	Low	71.3	Confident	94 Å²	94	75.5 Å²	75.5	58%	0.577	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	104.8	172.6	5.1	0	0	0	0	108.1	K325 E327	T288-K325 HydrophobicContact CG2-CB 4.12Å; T288-E327 HydrophobicContact CG2-CG 3.96Å
289	V	68.3	Low	69.4	Low	53 Å²	53	75.7 Å²	75.7	32%	0.321	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.5	176.8	-176.8	0	0	0	0	108.3	E287 E291 V326 K328	E287-V289 PolarHBondContact O-N 3.36Å; V289-E291 HydrophobicContact CG1-CG 4.42Å; V289-E291 PolarHBondContact O-N 3.46Å; V289-V326 PolarHBondContact N-O 3.32Å; V289-V326 PolarHBondContact O-N 2.95Å; V289-K328 HydrophobicContact CB-CD 4.41Å; V289-K328 HydrophobicContact CG2-CB 4.28Å; V289-K328 HydrophobicContact CG2-CD 4.34Å
290	E	58.8	Low	67.3	Low	115 Å²	115	82.7 Å²	82.7	54%	0.537	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	105	172.9	-75.3	-172	-175.1	0	0	109.1	T323 K325	E290-T323 HydrophobicContact CB-CG2 4.23Å; E290-T323 PolarHBondContact OE2-OG1 3.2Å; E290-K325 HydrophobicContact CG-CG 4.14Å
291	E	61.4	Low	65.2	Low	72 Å²	72	84.1 Å²	84.1	34%	0.336	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.3	173.8	-67.3	-160.5	119.6	0	0	110.7	V289 M293 T323 K324 V326 K328	V289-E291 HydrophobicContact CG1-CG 4.42Å; V289-E291 PolarHBondContact O-N 3.46Å; E291-M293 PolarHBondContact O-N 3.19Å; E291-T323 CarbonylContact O-C 3.16Å; E291-T323 VanDerWaalsContact O-CA 3.24Å; E291-T323 WeakPolarHBondContact O-CA 3.45Å; E291-K324 PolarHBondContact N-O 3.23Å; E291-K324 PolarHBondContact O-N 3.42Å; E291-V326 HydrophobicContact CB-CG2 4.31Å; E291-V326 HydrophobicContact CG-CG2 4.45Å; E291-K328 VanDerWaalsContact CD-CE 3.42Å; E291-K328 VanDerWaalsContact OE1-CE 3.28Å; E291-K328 WeakPolarHBondContact OE1-CE 3.47Å; E291-K328 IonicContact OE1-NZ 3.36Å; E291-K328 PolarHBondContact OE1-NZ 3.02Å; E291-K328 WeakPolarHBondContact OE2-CE 3.47Å; E291-K328 IonicContact OE2-NZ 3.7Å
292	P	53.6	Low	63	Low	92 Å²	92	89 Å²	89	60%	0.597	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	129.2	171.5	25.7	-31	0	0	0	109.5
293	M	49.4	Very low	60.7	Low	32 Å²	32	93.6 Å²	93.6	16%	0.158	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-60.1	139.8	176.2	-79.9	168	55.3	0	0	111.3	E291 E297 A298 E301 K322 K324	E291-M293 PolarHBondContact O-N 3.19Å; M293-E297 HydrophobicContact CE-CB 4.18Å; M293-A298 HydrophobicContact CB-CB 4.49Å; M293-A298 VanDerWaalsContact CE-CA 3.5Å; M293-A298 HydrophobicContact CE-CB 4.11Å; M293-E301 HydrophobicContact CE-CG 4.46Å; M293-E301 WeakPolarHBondContact CE-OE2 3.41Å; M293-K322 PolarHBondContact N-O 3.39Å; M293-K322 VanDerWaalsContact N-O 3.11Å; M293-K322 HydrophobicContact SD-CB 3.97Å; M293-K324 HydrophobicContact CG-CB 3.76Å
294	E	52.7	Low	58.8	Low	150 Å²	150	101.7 Å²	101.7	70%	0.701	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-61.6	140.8	169.2	-67.8	-175.1	164.8	0	0	110	E296 E297 A298	E294-E296 PolarHBondContact O-N 3.2Å; E294-E297 PolarHBondContact O-N 3.03Å; E294-A298 PolarHBondContact O-N 2.92Å; E294-A298 VanDerWaalsContact O-N 3.1Å
295	E	52.1	Low	56.9	Low	182 Å²	182	105.9 Å²	105.9	85%	0.85	53%	0.526	S	S	*	.	H	α-helix	trans	-53.9	-30.2	-173.7	-71.2	-179.7	163.6	0	0	113.4	A299	E295-A299 WeakPolarHBondContact O-CB 3.4Å; E295-A299 PolarHBondContact O-N 3.46Å
296	E	51.8	Low	55.3	Low	160 Å²	160	104.8 Å²	104.8	75%	0.748	53%	0.532	S	S	*	.	H	α-helix	trans	-73	-30.8	176.8	-79.3	-168	158.5	0	0	114.3	E294	E294-E296 PolarHBondContact O-N 3.2Å
297	E	50.2	Low	53.8	Low	85 Å²	85	107.5 Å²	107.5	40%	0.397	54%	0.543	S	S	.	.	H	α-helix	trans	-80.2	-36.7	173.9	-75.7	-161.2	155	0	0	110.9	M293 E294 A299 K300 E301 K324	M293-E297 HydrophobicContact CE-CB 4.18Å; E294-E297 PolarHBondContact O-N 3.03Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.47Å; E297-K300 PolarHBondContact O-N 3.08Å; E297-K300 VanDerWaalsContact O-N 3.17Å; E297-E301 PolarHBondContact O-N 3.14Å; E297-K324 IonicContact OE1-NZ 3.76Å; E297-K324 PolarHBondContact OE1-NZ 2.67Å; E297-K324 IonicContact OE2-NZ 2.71Å; E297-K324 PolarHBondContact OE2-NZ 2.74Å
298	A	50.5	Low	52.6	Low	26 Å²	26	109.5 Å²	109.5	22%	0.215	56%	0.557	C	S	.	*	H	α-helix	trans	-60.7	-39	172.9	0	0	0	0	0	112.2	M293 E294 K300 E302	M293-A298 HydrophobicContact CB-CB 4.49Å; M293-A298 VanDerWaalsContact CE-CA 3.5Å; M293-A298 HydrophobicContact CE-CB 4.11Å; E294-A298 PolarHBondContact O-N 2.92Å; E294-A298 VanDerWaalsContact O-N 3.1Å; A298-K300 VanDerWaalsContact C-N 3.31Å; A298-K300 PolarHBondContact O-N 2.97Å; A298-E302 PolarHBondContact O-N 3.39Å
299	A	53.9	Low	51.1	Low	48 Å²	48	114 Å²	114	40%	0.397	57%	0.572	S	S	.	*	H	α-helix	trans	-71.6	-20.1	176.9	0	0	0	0	0	114.3	E295 E297 K303	E295-A299 WeakPolarHBondContact O-CB 3.4Å; E295-A299 PolarHBondContact O-N 3.46Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.47Å; A299-K303 PolarHBondContact O-N 2.65Å
300	K	53.8	Low	49.7	Very low	148 Å²	148	116.3 Å²	116.3	64%	0.643	60%	0.596	S	S	*	*	H	α-helix	trans	-81.5	-41.6	175.1	-81.7	177.7	-178.9	168.7	0	111.9	E297 A298 K303 E304	E297-K300 PolarHBondContact O-N 3.08Å; E297-K300 VanDerWaalsContact O-N 3.17Å; A298-K300 VanDerWaalsContact C-N 3.31Å; A298-K300 PolarHBondContact O-N 2.97Å; K300-K303 PolarHBondContact O-N 3.38Å; K300-E304 PolarHBondContact O-N 3.09Å
301	E	51.4	Low	49	Very low	91 Å²	91	115.6 Å²	115.6	43%	0.425	61%	0.61	S	S	.	*	H	α-helix	trans	-66.4	-40.1	172.6	-83.5	-172.2	170	0	0	111.9	M293 E297 K303 E304 E305	M293-E301 HydrophobicContact CE-CG 4.46Å; M293-E301 WeakPolarHBondContact CE-OE2 3.41Å; E297-E301 PolarHBondContact O-N 3.14Å; E301-K303 PolarHBondContact O-N 3.24Å; E301-E304 PolarHBondContact O-N 3.15Å; E301-E305 PolarHBondContact O-N 2.86Å
302	E	51	Low	47.6	Very low	103 Å²	103	119.4 Å²	119.4	48%	0.481	64%	0.638	S	S	.	*	H	α-helix	trans	-62	-28.9	173.9	-79.9	-172.3	162.5	0	0	112.4	A298 S306 K319	A298-E302 PolarHBondContact O-N 3.39Å; E302-S306 VanDerWaalsContact O-CB 3.28Å; E302-S306 WeakPolarHBondContact O-CB 3.46Å; E302-S306 PolarHBondContact O-N 3.44Å; E302-S306 PolarHBondContact O-OG 3.5Å; E302-K319 IonicContact OE1-NZ 3.42Å
303	K	48.2	Very low	46.8	Very low	161 Å²	161	124.1 Å²	124.1	70%	0.7	65%	0.652	S	S	*	*	H	α-helix	trans	-75.2	-34.4	174.8	-92.5	-178.5	176.8	174.8	0	113.5	A299 K300 E301 S306	A299-K303 PolarHBondContact O-N 2.65Å; K300-K303 PolarHBondContact O-N 3.38Å; E301-K303 PolarHBondContact O-N 3.24Å; K303-S306 PolarHBondContact O-OG 2.91Å
304	E	47.9	Very low	46	Very low	171 Å²	171	132 Å²	132	80%	0.799	69%	0.688	S	S	*	*	H	α-helix	trans	-74.7	-31.2	175.4	-77.9	-171.8	164.3	0	0	112.4	K300 E301	K300-E304 PolarHBondContact O-N 3.09Å; E301-E304 PolarHBondContact O-N 3.15Å
305	E	47.5	Very low	45	Very low	136 Å²	136	134 Å²	134	64%	0.636	70%	0.697	S	S	*	*	H	α-helix	trans	-78	-20.3	174.3	-79.3	-176.7	140	0	0	113.5	E301 K322	E301-E305 PolarHBondContact O-N 2.86Å; E305-K322 IonicContact OE2-NZ 3.28Å; E305-K322 PolarHBondContact OE2-NZ 2.89Å
306	S	43.4	Very low	44.4	Very low	87 Å²	87	135 Å²	135	61%	0.608	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-4.2	-174	72.3	0	0	0	0	116.5	E302 K303	E302-S306 VanDerWaalsContact O-CB 3.28Å; E302-S306 WeakPolarHBondContact O-CB 3.46Å; E302-S306 PolarHBondContact O-N 3.44Å; E302-S306 PolarHBondContact O-OG 3.5Å; K303-S306 PolarHBondContact O-OG 2.91Å
307	D	44.6	Very low	43.5	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-2	-176.8	-128.5	7.5	0	0	0	113.6
308	D	45.9	Very low	42.8	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	73%	0.731	S	S	*	*	S	Bend	trans	-126.2	110.3	172.9	-89.1	-34.1	0	0	0	112.1
309	E	37.4	Very low	42.3	Very low	189 Å²	189	148.7 Å²	148.7	88%	0.883	76%	0.759	S	S	*	*			trans	85.3	99.6	157.7	-57.1	-164.6	158.6	0	0	121.8
310	A	39	Very low	41.6	Very low	101 Å²	101	155.5 Å²	155.5	84%	0.835	78%	0.779	S	S	*	*			trans	24.1	107.8	134.4	0	0	0	0	0	122.4
311	A	42.4	Very low	41.3	Very low	100 Å²	100	153 Å²	153	83%	0.826	78%	0.778	S	S	*	*			trans	3.3	120.7	145.4	0	0	0	0	0	121.5
312	V	33.4	Very low	41.1	Very low	151 Å²	151	153 Å²	153	92%	0.915	78%	0.777	S	S	*	*			trans	-146	146.5	140.9	-176	0	0	0	0	109.8
313	E	36	Very low	41.1	Very low	192 Å²	192	151.1 Å²	151.1	90%	0.897	77%	0.773	S	S	*	*			trans	-63.1	161.6	-169.2	-65.8	174.7	150.6	0	0	117.6
314	E	32.7	Very low	41.3	Very low	196 Å²	196	148 Å²	148	92%	0.916	76%	0.759	S	S	*	*			trans	-68.3	137.6	-160.8	-59.7	169.9	156.7	0	0	117.4
315	E	32.1	Very low	41.9	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	75%	0.751	S	S	*	*			trans	-128.1	129.8	146.4	-109.7	-178.2	174.3	0	0	108.2	E317	E315-E317 PolarHBondContact O-N 3.43Å; E315-E317 VanDerWaalsContact O-N 3.1Å
316	E	38.4	Very low	43	Very low	204 Å²	204	142.6 Å²	142.6	95%	0.953	74%	0.735	S	S	*	*			trans	-66.8	98.3	179.9	-76.3	179	141.6	0	0	111.5
317	E	33.1	Very low	44.3	Very low	183 Å²	183	145.4 Å²	145.4	86%	0.855	74%	0.738	S	S	*	*			trans	-100.2	129.4	156.6	-86.2	-169.6	154.2	0	0	110	E315 K319	E315-E317 PolarHBondContact O-N 3.43Å; E315-E317 VanDerWaalsContact O-N 3.1Å; E317-K319 PolarHBondContact O-N 2.98Å
318	E	35.7	Very low	45.8	Very low	192 Å²	192	142.2 Å²	142.2	90%	0.897	72%	0.717	S	S	*	*			trans	-50.4	109.6	173.9	-75.1	179	144.9	0	0	110.9	K320	E318-K320 PolarHBondContact O-N 3.1Å
319	K	39.9	Very low	47.5	Very low	183 Å²	183	139.3 Å²	139.3	80%	0.796	71%	0.705	S	S	*	*			trans	-59.6	99.3	171.2	-75.9	-169.8	175.5	-166.7	0	109.7	E302 E317	E302-K319 IonicContact OE1-NZ 3.42Å; E317-K319 PolarHBondContact O-N 2.98Å
320	K	40.4	Very low	49.9	Very low	191 Å²	191	133 Å²	133	83%	0.83	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-63.3	134.2	162.1	-77.3	-178.4	178.3	175	0	108.6	E318 K322	E318-K320 PolarHBondContact O-N 3.1Å; K320-K322 PolarHBondContact O-N 3.06Å
321	P	46.3	Very low	52.3	Low	96 Å²	96	133.8 Å²	133.8	62%	0.623	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-59.4	128.5	176.8	22.7	-30.6	0	0	0	109.8	T323	P321-T323 PolarHBondContact O-N 3.46Å
322	K	46.8	Very low	54.8	Low	91 Å²	91	133.6 Å²	133.6	40%	0.396	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-60.1	119.2	172.6	-76.8	-174.8	174.8	-175.8	0	107.8	M293 E305 K320	M293-K322 PolarHBondContact N-O 3.39Å; M293-K322 VanDerWaalsContact N-O 3.11Å; M293-K322 HydrophobicContact SD-CB 3.97Å; E305-K322 IonicContact OE2-NZ 3.28Å; E305-K322 PolarHBondContact OE2-NZ 2.89Å; K320-K322 PolarHBondContact O-N 3.06Å
323	T	51.8	Low	57.7	Low	64 Å²	64	130.3 Å²	130.3	39%	0.393	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	133.1	179.9	50.3	0	0	0	0	110.6	E290 E291 P321	E290-T323 HydrophobicContact CB-CG2 4.23Å; E290-T323 PolarHBondContact OE2-OG1 3.2Å; E291-T323 CarbonylContact O-C 3.16Å; E291-T323 VanDerWaalsContact O-CA 3.24Å; E291-T323 WeakPolarHBondContact O-CA 3.45Å; P321-T323 PolarHBondContact O-N 3.46Å
324	K	53.4	Low	60.5	Low	95 Å²	95	123.3 Å²	123.3	41%	0.413	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	132.9	171.8	-166.9	175.1	-170.1	174	0	108.4	E291 M293 E297 V326	E291-K324 PolarHBondContact N-O 3.23Å; E291-K324 PolarHBondContact O-N 3.42Å; M293-K324 HydrophobicContact CG-CB 3.76Å; E297-K324 IonicContact OE1-NZ 3.76Å; E297-K324 PolarHBondContact OE1-NZ 2.67Å; E297-K324 IonicContact OE2-NZ 2.71Å; E297-K324 PolarHBondContact OE2-NZ 2.74Å; K324-V326 HydrophobicContact CB-CG2 4.39Å; K324-V326 HydrophobicContact CG-CG2 4.36Å; K324-V326 PolarHBondContact O-N 3.46Å; K324-V326 VanDerWaalsContact O-N 3.17Å
325	K	60.2	Low	63.4	Low	147 Å²	147	117.6 Å²	117.6	64%	0.639	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.8	103.7	171.4	-68.6	-176.3	-179.6	-177.8	0	108.4	T288 E290	T288-K325 HydrophobicContact CG2-CB 4.12Å; E290-K325 HydrophobicContact CG-CG 4.14Å
326	V	69.7	Low	66.2	Low	46 Å²	46	108.6 Å²	108.6	28%	0.279	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.1	176.7	-175.8	0	0	0	0	108.3	V289 E291 K324 K328	V289-V326 PolarHBondContact N-O 3.32Å; V289-V326 PolarHBondContact O-N 2.95Å; E291-V326 HydrophobicContact CB-CG2 4.31Å; E291-V326 HydrophobicContact CG-CG2 4.45Å; K324-V326 HydrophobicContact CB-CG2 4.39Å; K324-V326 HydrophobicContact CG-CG2 4.36Å; K324-V326 PolarHBondContact O-N 3.46Å; K324-V326 VanDerWaalsContact O-N 3.17Å; V326-K328 HydrophobicContact CG1-CG 4.39Å; V326-K328 PolarHBondContact O-N 2.94Å
327	E	71.5	Confident	68.6	Low	147 Å²	147	99.7 Å²	99.7	69%	0.687	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	111.8	171.9	-73.1	-174.9	-179.3	0	0	109.4	T286 T288	T286-E327 HydrophobicContact CG2-CB 3.7Å; T286-E327 HydrophobicContact CG2-CG 4.02Å; T288-E327 HydrophobicContact CG2-CG 3.96Å
328	K	75.3	Confident	71	Confident	82 Å²	82	96.5 Å²	96.5	36%	0.357	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.7	174.4	-74.1	-171.8	176.8	-176.8	0	110.6	E287 V289 E291 V326 V330	E287-K328 PolarHBondContact N-O 2.91Å; E287-K328 PolarHBondContact O-N 2.93Å; V289-K328 HydrophobicContact CB-CD 4.41Å; V289-K328 HydrophobicContact CG2-CB 4.28Å; V289-K328 HydrophobicContact CG2-CD 4.34Å; E291-K328 VanDerWaalsContact CD-CE 3.42Å; E291-K328 VanDerWaalsContact OE1-CE 3.28Å; E291-K328 WeakPolarHBondContact OE1-CE 3.47Å; E291-K328 IonicContact OE1-NZ 3.36Å; E291-K328 PolarHBondContact OE1-NZ 3.02Å; E291-K328 WeakPolarHBondContact OE2-CE 3.47Å; E291-K328 IonicContact OE2-NZ 3.7Å; V326-K328 HydrophobicContact CG1-CG 4.39Å; V326-K328 PolarHBondContact O-N 2.94Å; K328-V330 PolarHBondContact O-N 2.96Å
329	T	82.3	Confident	73.1	Confident	84 Å²	84	88.7 Å²	88.7	52%	0.515	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	107.3	172.3	-52.2	0	0	0	0	109.8	S284 K285	S284-T329 VanDerWaalsContact CB-CG2 3.41Å; K285-T329 WeakPolarHBondContact O-CA 3.31Å
330	V	87.3	Confident	75.2	Confident	57 Å²	57	87.6 Å²	87.6	35%	0.345	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.9	174.4	-177.2	0	0	0	0	108.6	S284 K285 E287 K328	S284-V330 CarbonylContact C-O 3.58Å; S284-V330 WeakPolarHBondContact CA-O 3.38Å; K285-V330 PolarHBondContact N-O 3.12Å; K285-V330 PolarHBondContact O-N 3.28Å; E287-V330 HydrophobicContact CB-CG2 4.37Å; E287-V330 HydrophobicContact CG-CG2 4.48Å; K328-V330 PolarHBondContact O-N 2.96Å
331	W	89.9	Confident	77.5	Confident	117 Å²	117	79.7 Å²	79.7	44%	0.443	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.7	175.9	-69.8	82.4	0	0	0	110.2	L261 W282 S283	L261-W331 HydrophobicContact CD1-CH2 4.25Å; L261-W331 HydrophobicContact CD1-CZ3 4.43Å; L261-W331 HydrophobicContact CD2-CH2 4.45Å; L261-W331 HydrophobicContact CD2-CZ3 3.97Å; W282-W331 AromaticContact CD1-CE3 3.37Å; W282-W331 AromaticContact CD1-CZ3 3.85Å; W282-W331 HydrophobicContact CG-CE3 4.26Å; W282-W331 HydrophobicContact CH2-CB 4.17Å; W282-W331 VanDerWaalsContact CH2-O 3.31Å; W282-W331 WeakPolarHBondContact CH2-O 3.5Å; W282-W331 HydrophobicContact CZ2-CB 3.39Å; W282-W331 HydrophobicContact CZ2-CG 4.45Å; W282-W331 AromaticContact NE1-CD2 3.79Å; W282-W331 AromaticContact NE1-CE3 3.36Å; W282-W331 AromaticContact NE1-CG 3.96Å; S283-W331 WeakPolarHBondContact O-CA 3.45Å
332	D	93.7	Very high	79.7	Confident	95 Å²	95	75.4 Å²	75.4	51%	0.508	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.9	179.1	-164.3	17.3	0	0	0	111.7	S283 E334	S283-D332 PolarHBondContact N-O 2.75Å; S283-D332 PolarHBondContact O-N 2.9Å; D332-E334 PolarHBondContact O-N 3.19Å
333	W	94.9	Very high	82	Confident	82 Å²	82	71.1 Å²	71.1	31%	0.311	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	106.8	176.4	-68.9	106.7	0	0	0	111	K135 I136 K137 Y280 W282	K135-W333 HydrophobicContact CB-CE3 4.17Å; K135-W333 HydrophobicContact CB-CH2 3.68Å; K135-W333 HydrophobicContact CB-CZ2 4.31Å; K135-W333 HydrophobicContact CB-CZ3 3.59Å; K135-W333 HydrophobicContact CD-CD2 4.34Å; K135-W333 HydrophobicContact CD-CH2 4.41Å; K135-W333 HydrophobicContact CD-CZ2 4.18Å; K135-W333 HydrophobicContact CG-CD2 4.42Å; K135-W333 HydrophobicContact CG-CE3 4.17Å; K135-W333 HydrophobicContact CG-CH2 4.3Å; K135-W333 HydrophobicContact CG-CZ3 4.1Å; I136-W333 WeakPolarHBondContact O-CZ3 3.48Å; K137-W333 HydrophobicContact CB-CH2 4.14Å; Y280-W333 HydrophobicContact CD1-CB 4.01Å; Y280-W333 HydrophobicContact CG-CB 4.2Å; W282-W333 HydrophobicContact CB-CE3 4.19Å; W282-W333 HydrophobicContact CB-CH2 4.18Å; W282-W333 HydrophobicContact CB-CZ3 3.87Å; W282-W333 AromaticContact CE3-CD1 3.85Å; W282-W333 AromaticContact CE3-CD2 3.62Å; W282-W333 HydrophobicContact CE3-CD2 3.62Å; W282-W333 AromaticContact CE3-CE2 3.46Å; W282-W333 VanDerWaalsContact CE3-CE2 3.46Å; W282-W333 HydrophobicContact CE3-CE3 4.15Å; W282-W333 AromaticContact CE3-CG 3.89Å; W282-W333 HydrophobicContact CE3-CG 3.89Å; W282-W333 HydrophobicContact CE3-CH2 4.41Å; W282-W333 AromaticContact CE3-CZ2 3.9Å; W282-W333 HydrophobicContact CE3-CZ2 3.9Å; W282-W333 AromaticContact CE3-NE1 3.6Å; W282-W333 AromaticContact CZ3-CD1 3.6Å; W282-W333 HydrophobicContact CZ3-CD2 4.18Å; W282-W333 AromaticContact CZ3-CE2 3.84Å; W282-W333 HydrophobicContact CZ3-CG 4.06Å; W282-W333 HydrophobicContact CZ3-CZ2 4.5Å; W282-W333 AromaticContact CZ3-NE1 3.46Å
334	E	94.2	Very high	83.8	Confident	46 Å²	46	69.9 Å²	69.9	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.4	175.9	-174.2	-177.9	157.8	0	0	110.9	K265 Y280 V281 S283 D332	K265-E334 WeakPolarHBondContact CE-OE2 3.42Å; K265-E334 IonicContact NZ-OE1 3.56Å; K265-E334 IonicContact NZ-OE2 3.62Å; K265-E334 PolarHBondContact NZ-OE2 2.78Å; Y280-E334 CarbonylContact C-O 3.51Å; Y280-E334 VanDerWaalsContact CA-O 3.23Å; Y280-E334 WeakPolarHBondContact CA-O 3.34Å; V281-E334 PolarHBondContact N-O 3.45Å; V281-E334 PolarHBondContact O-N 2.88Å; S283-E334 WeakPolarHBondContact CB-OE2 3.48Å; S283-E334 PolarHBondContact OG-OE2 3.08Å; D332-E334 PolarHBondContact O-N 3.19Å
335	L	93.7	Very high	85.6	Confident	75 Å²	75	69.4 Å²	69.4	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.8	175.3	-179.1	67.1	0	0	0	110.8	P278 Y280 D338	P278-L335 HydrophobicContact CB-CD1 3.87Å; Y280-L335 HydrophobicContact CD1-CB 4.18Å; Y280-L335 HydrophobicContact CD1-CD1 4.36Å; Y280-L335 HydrophobicContact CE1-CB 3.96Å; Y280-L335 HydrophobicContact CE1-CD1 3.95Å; L335-D338 HydrophobicContact CD2-CB 4.43Å
336	M	91.8	Very high	87.1	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.015	32%	0.323	C	S	.	.	S	Bend	trans	-100.8	-31.4	-173.9	-64.5	-56.3	-53.7	0	0	114.9	K265 V268 K269 I279 V281	K265-M336 VanDerWaalsContact CA-CE 3.47Å; K265-M336 HydrophobicContact CB-CE 3.64Å; K265-M336 HydrophobicContact CB-SD 4.48Å; K265-M336 HydrophobicContact CG-CE 3.77Å; K265-M336 HydrophobicContact CG-SD 3.95Å; K265-M336 WeakPolarHBondContact O-CE 3.33Å; V268-M336 HydrophobicContact CB-CB 4.42Å; V268-M336 HydrophobicContact CB-CE 4.43Å; V268-M336 HydrophobicContact CG1-CB 3.59Å; V268-M336 HydrophobicContact CG1-CG 4.08Å; K269-M336 HydrophobicContact CD-CE 4.19Å; K269-M336 HydrophobicContact CG-CE 3.88Å; I279-M336 HydrophobicContact CB-CB 4.46Å; I279-M336 WeakPolarHBondContact O-CB 3.46Å; I279-M336 PolarHBondContact O-N 3.39Å; V281-M336 HydrophobicContact CB-CG 4.07Å; V281-M336 HydrophobicContact CB-SD 4.01Å; V281-M336 HydrophobicContact CG2-CG 3.46Å; V281-M336 VanDerWaalsContact CG2-CG 3.46Å; V281-M336 HydrophobicContact CG2-SD 3.84Å
337	N	88.9	Confident	88.2	Confident	18 Å²	18	66.9 Å²	66.9	10%	0.096	33%	0.332	C	S	.	.			trans	-111.7	63.8	-176	59.9	-36.6	0	0	0	111	Q273 I275 F277 I279 I339	Q273-N337 WeakPolarHBondContact O-CB 3.38Å; I275-N337 PolarHBondContact O-ND2 3.33Å; F277-N337 PolarHBondContact O-ND2 3.08Å; I279-N337 PolarHBondContact N-OD1 3.21Å; N337-I339 VanDerWaalsContact C-N 3.33Å
338	D	82.3	Confident	89.2	Confident	116 Å²	116	69.1 Å²	69.1	62%	0.62	34%	0.34	S	S	*	.			trans	-73.1	-23.5	177.3	59.9	-26.2	0	0	0	113.4	L335 K340	L335-D338 HydrophobicContact CD2-CB 4.43Å; D338-K340 PolarHBondContact O-N 3.35Å
339	I	80.6	Confident	90.1	Very high	28 Å²	28	70.7 Å²	70.7	14%	0.144	35%	0.348	C	S	.	.	S	Bend	trans	-79.4	117.3	-177.9	-49.1	174	0	0	0	111	F274 N337 F358	F274-I339 HydrophobicContact CE1-CB 3.94Å; F274-I339 HydrophobicContact CE1-CG2 3.7Å; N337-I339 VanDerWaalsContact C-N 3.33Å; I339-F358 HydrophobicContact CG2-CD2 3.55Å; I339-F358 HydrophobicContact CG2-CE2 3.69Å
340	K	84.1	Confident	90.6	Very high	159 Å²	159	67.2 Å²	67.2	69%	0.691	33%	0.327	S	S	*	.			trans	-76.2	140.4	176.6	-63.6	-175.5	-179	-179.6	0	112	D338 I342	D338-K340 PolarHBondContact O-N 3.35Å; K340-I342 VanDerWaalsContact C-N 3.35Å; K340-I342 PolarHBondContact O-N 3.49Å
341	P	89.4	Confident	90.9	Very high	25 Å²	25	70.7 Å²	70.7	16%	0.162	34%	0.34	C	S	.	.			trans	-76.2	80.5	178.3	31.1	-35.1	0	0	0	111.6	F274 W343 Q344	F274-P341 HydrophobicContact CB-CB 4.48Å; P341-W343 HydrophobicContact CB-CD2 4.31Å; P341-W343 HydrophobicContact CB-CE3 4.45Å; P341-W343 HydrophobicContact CB-CH2 3.78Å; P341-W343 HydrophobicContact CB-CZ2 3.62Å; P341-W343 HydrophobicContact CB-CZ3 4.19Å; P341-W343 PolarHBondContact O-N 2.84Å; P341-W343 VanDerWaalsContact O-N 3.13Å; P341-Q344 HydrophobicContact CB-CG 4.19Å; P341-Q344 HydrophobicContact CG-CG 4.49Å; P341-Q344 WeakPolarHBondContact O-CB 3.47Å; P341-Q344 PolarHBondContact O-N 3.31Å; P341-Q344 VanDerWaalsContact O-N 3.07Å
342	I	92.8	Very high	91.1	Very high	7 Å²	7	70 Å²	70	4%	0.036	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-63.3	-20.1	-173.7	57.5	160.1	0	0	0	114.5	K340 Q344 R345 V350 Y355 F358 I386	K340-I342 VanDerWaalsContact C-N 3.35Å; K340-I342 PolarHBondContact O-N 3.49Å; I342-Q344 PolarHBondContact O-N 2.94Å; I342-R345 PolarHBondContact O-N 3.26Å; I342-V350 HydrophobicContact CB-CG1 4.3Å; I342-V350 HydrophobicContact CD1-CG1 4.49Å; I342-Y355 HydrophobicContact CD1-CD1 3.58Å; I342-Y355 HydrophobicContact CD1-CE1 3.96Å; I342-Y355 HydrophobicContact CD1-CG 4.26Å; I342-F358 HydrophobicContact CD1-CB 3.5Å; I342-F358 HydrophobicContact CD1-CD1 3.76Å; I342-F358 HydrophobicContact CD1-CD2 4.24Å; I342-F358 HydrophobicContact CD1-CG 3.54Å; I342-F358 HydrophobicContact CG1-CB 4.13Å; I342-F358 HydrophobicContact CG1-CD1 4.12Å; I342-F358 HydrophobicContact CG1-CD2 3.97Å; I342-F358 HydrophobicContact CG1-CG 3.77Å; I342-I386 HydrophobicContact CD1-CD1 3.66Å; I342-I386 HydrophobicContact CG1-CD1 3.57Å
343	W	93.6	Very high	91	Very high	1 Å²	1	71 Å²	71	0%	0.004	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-72.2	-14.2	175.7	59.3	91.1	0	0	0	113.5	F274 P341 F358 H374 K384 I386 V436 D438	F274-W343 HydrophobicContact CB-CH2 4.16Å; F274-W343 HydrophobicContact CB-CZ2 4.17Å; F274-W343 AromaticContact CD1-CH2 3.58Å; F274-W343 HydrophobicContact CD1-CH2 3.58Å; F274-W343 HydrophobicContact CD1-CZ2 4.4Å; F274-W343 HydrophobicContact CD1-CZ3 4.36Å; F274-W343 AromaticContact CD2-CH2 3.37Å; F274-W343 HydrophobicContact CD2-CH2 3.37Å; F274-W343 AromaticContact CD2-CZ2 3.85Å; F274-W343 HydrophobicContact CD2-CZ2 3.85Å; F274-W343 AromaticContact CE1-CH2 3.69Å; F274-W343 HydrophobicContact CE1-CH2 3.69Å; F274-W343 HydrophobicContact CE1-CZ3 4.13Å; F274-W343 AromaticContact CE2-CH2 3.48Å; F274-W343 HydrophobicContact CE2-CH2 3.48Å; F274-W343 VanDerWaalsContact CE2-CH2 3.48Å; F274-W343 HydrophobicContact CE2-CZ2 4.32Å; F274-W343 HydrophobicContact CE2-CZ3 4.27Å; F274-W343 AromaticContact CG-CH2 3.42Å; F274-W343 HydrophobicContact CG-CH2 3.42Å; F274-W343 VanDerWaalsContact CG-CH2 3.42Å; F274-W343 AromaticContact CG-CZ2 3.89Å; F274-W343 HydrophobicContact CG-CZ2 3.89Å; F274-W343 AromaticContact CZ-CH2 3.65Å; F274-W343 HydrophobicContact CZ-CH2 3.65Å; F274-W343 HydrophobicContact CZ-CZ3 4.08Å; P341-W343 HydrophobicContact CB-CD2 4.31Å; P341-W343 HydrophobicContact CB-CE3 4.45Å; P341-W343 HydrophobicContact CB-CH2 3.78Å; P341-W343 HydrophobicContact CB-CZ2 3.62Å; P341-W343 HydrophobicContact CB-CZ3 4.19Å; P341-W343 PolarHBondContact O-N 2.84Å; P341-W343 VanDerWaalsContact O-N 3.13Å; W343-F358 HydrophobicContact CE3-CE2 4.37Å; W343-F358 HydrophobicContact CE3-CZ 4.09Å; W343-F358 HydrophobicContact CH2-CE2 4.44Å; W343-F358 HydrophobicContact CH2-CZ 4.41Å; W343-F358 HydrophobicContact CZ3-CE1 4.39Å; W343-F358 AromaticContact CZ3-CE2 3.55Å; W343-F358 HydrophobicContact CZ3-CE2 3.55Å; W343-F358 AromaticContact CZ3-CZ 3.43Å; W343-F358 HydrophobicContact CZ3-CZ 3.43Å; W343-F358 VanDerWaalsContact CZ3-CZ 3.43Å; W343-H374 PolarHBondContact O-NE2 3.33Å; W343-K384 HydrophobicContact CB-CB 4.48Å; W343-K384 VanDerWaalsContact O-CD 3.23Å; W343-K384 WeakPolarHBondContact O-CD 3.35Å; W343-I386 HydrophobicContact CB-CD1 3.66Å; W343-I386 HydrophobicContact CB-CG1 3.87Å; W343-I386 HydrophobicContact CE3-CD1 4.38Å; W343-V436 HydrophobicContact CD2-CG2 3.95Å; W343-V436 HydrophobicContact CE3-CG2 3.57Å; W343-V436 HydrophobicContact CG-CG2 4.49Å; W343-V436 HydrophobicContact CZ3-CG1 4.42Å; W343-V436 HydrophobicContact CZ3-CG2 3.92Å; W343-D438 PolarHBondContact NE1-OD2 3.41Å
344	Q	90.3	Very high	91	Very high	38 Å²	38	70 Å²	70	18%	0.178	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-78	-26.6	177.5	-70.5	-66.1	-13.7	0	0	112	P341 I342 K384 D438	P341-Q344 HydrophobicContact CB-CG 4.19Å; P341-Q344 HydrophobicContact CG-CG 4.49Å; P341-Q344 WeakPolarHBondContact O-CB 3.47Å; P341-Q344 PolarHBondContact O-N 3.31Å; P341-Q344 VanDerWaalsContact O-N 3.07Å; I342-Q344 PolarHBondContact O-N 2.94Å; Q344-K384 PolarHBondContact O-NZ 3.31Å; Q344-D438 PolarHBondContact NE2-OD2 2.66Å
345	R	91.7	Very high	91	Very high	84 Å²	84	68 Å²	68	32%	0.317	34%	0.336	S	S	.	.	S	Bend	trans	-78.3	146.7	175.1	-72	165.4	58.8	-173.3	-3.8	110.9	I342 E349 V350 E354 H374	I342-R345 PolarHBondContact O-N 3.26Å; R345-E349 PolarHBondContact NH2-O 3.41Å; R345-V350 HydrophobicContact CB-CG2 3.72Å; R345-E354 IonicContact CZ-OE1 2.73Å; R345-E354 IonicContact CZ-OE2 2.76Å; R345-E354 IonicContact NH1-OE1 2.68Å; R345-E354 PolarHBondContact NH1-OE1 3.31Å; R345-E354 IonicContact NH1-OE2 3.66Å; R345-E354 PolarHBondContact NH1-OE2 3.39Å; R345-E354 IonicContact NH2-OE1 2.68Å; R345-E354 IonicContact NH2-OE2 2.65Å; R345-E354 PolarHBondContact NH2-OE2 2.94Å; R345-H374 PolarHBondContact O-CE1 3.09Å; R345-H374 VanDerWaalsContact O-CE1 3.24Å
346	P	92.1	Very high	91.1	Very high	72 Å²	72	66.5 Å²	66.5	47%	0.468	33%	0.326	S	S	.	.			trans	-54.6	139.9	169.6	-23.9	33.5	0	0	0	111.6	K348 E349	P346-K348 PolarHBondContact O-N 3.47Å; P346-E349 HydrophobicContact CB-CG 4.37Å; P346-E349 WeakPolarHBondContact CD-OE2 3.31Å; P346-E349 HydrophobicContact CG-CG 4.5Å; P346-E349 PolarHBondContact O-N 3.35Å
347	S	92.2	Very high	91.1	Very high	68 Å²	68	69.1 Å²	69.1	48%	0.476	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.4	-176.2	59.9	0	0	0	0	114.8
348	K	92.3	Very high	91.4	Very high	195 Å²	195	68.6 Å²	68.6	85%	0.848	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.5	177.6	-63.9	-178.3	-179.3	177.4	0	113.9	P346	P346-K348 PolarHBondContact O-N 3.47Å
349	E	93.1	Very high	92	Very high	114 Å²	114	63.2 Å²	63.2	53%	0.533	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-9.8	-179.5	-67.2	178.3	-170.5	0	0	112.2	R345 P346	R345-E349 PolarHBondContact NH2-O 3.41Å; P346-E349 HydrophobicContact CB-CG 4.37Å; P346-E349 WeakPolarHBondContact CD-OE2 3.31Å; P346-E349 HydrophobicContact CG-CG 4.5Å; P346-E349 PolarHBondContact O-N 3.35Å
350	V	93.9	Very high	92.5	Very high	11 Å²	11	65.3 Å²	65.3	7%	0.067	33%	0.325	C	S	.	.	S	Bend	trans	-100.7	119.5	-176.5	-174.7	0	0	0	0	108.9	I342 R345 E354 Y355	I342-V350 HydrophobicContact CB-CG1 4.3Å; I342-V350 HydrophobicContact CD1-CG1 4.49Å; R345-V350 HydrophobicContact CB-CG2 3.72Å; V350-E354 HydrophobicContact CG1-CB 3.82Å; V350-Y355 HydrophobicContact CB-CE2 3.74Å; V350-Y355 HydrophobicContact CG1-CD2 3.83Å; V350-Y355 HydrophobicContact CG1-CE1 4.2Å; V350-Y355 HydrophobicContact CG1-CE2 3.42Å; V350-Y355 VanDerWaalsContact CG1-CE2 3.42Å; V350-Y355 HydrophobicContact CG1-CG 4.38Å
351	E	93.7	Very high	92.7	Very high	130 Å²	130	60.2 Å²	60.2	61%	0.607	31%	0.309	S	S	*	.			trans	-76	158.1	179.1	-62.7	-59.5	149.2	0	0	111.8	D353 E354 Y355	E351-D353 VanDerWaalsContact C-N 3.28Å; E351-D353 PolarHBondContact O-N 2.98Å; E351-E354 HydrophobicContact CB-CG 4.43Å; E351-E354 PolarHBondContact N-OE2 3.39Å; E351-E354 WeakPolarHBondContact O-CB 3.36Å; E351-E354 PolarHBondContact O-N 3.45Å; E351-E354 VanDerWaalsContact O-N 3.11Å; E351-Y355 VanDerWaalsContact O-CD2 3.32Å; E351-Y355 WeakPolarHBondContact O-CD2 3.48Å; E351-Y355 PolarHBondContact O-N 3.41Å
352	E	93.3	Very high	92.7	Very high	102 Å²	102	59.6 Å²	59.6	48%	0.477	30%	0.304	S	S	.	.	H	α-helix	trans	-58.5	-39.6	-178.6	-167.6	-177.8	146.1	0	0	112.6	E354 Y355 K356 Y372	E352-E354 VanDerWaalsContact C-N 3.26Å; E352-E354 PolarHBondContact O-N 2.82Å; E352-Y355 WeakPolarHBondContact O-CB 3.04Å; E352-Y355 PolarHBondContact O-N 2.91Å; E352-Y355 VanDerWaalsContact O-N 3.12Å; E352-K356 PolarHBondContact O-N 3.39Å; E352-K356 VanDerWaalsContact O-N 3.09Å; E352-K356 WeakPolarHBondContact OE1-CE 3.11Å; E352-K356 IonicContact OE1-NZ 2.83Å; E352-K356 PolarHBondContact OE1-NZ 3.31Å; E352-Y372 HydrophobicContact CG-CE1 4.04Å
353	D	93.1	Very high	92.5	Very high	117 Å²	117	60.3 Å²	60.3	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-29.8	179.5	-68.4	-21.4	0	0	0	112.4	E351 K356 A357	E351-D353 VanDerWaalsContact C-N 3.28Å; E351-D353 PolarHBondContact O-N 2.98Å; D353-K356 PolarHBondContact O-N 3.03Å; D353-K356 IonicContact OD1-NZ 3.72Å; D353-A357 VanDerWaalsContact O-CB 3.31Å; D353-A357 WeakPolarHBondContact O-CB 3.41Å; D353-A357 PolarHBondContact O-N 2.85Å
354	E	93.3	Very high	92.3	Very high	60 Å²	60	69.4 Å²	69.4	28%	0.28	35%	0.349	S	S	.	.	H	α-helix	trans	-67.5	-38.8	173.6	-64	-169.3	82.8	0	0	111.2	R345 V350 E351 E352 F358	R345-E354 IonicContact CZ-OE1 2.73Å; R345-E354 IonicContact CZ-OE2 2.76Å; R345-E354 IonicContact NH1-OE1 2.68Å; R345-E354 PolarHBondContact NH1-OE1 3.31Å; R345-E354 IonicContact NH1-OE2 3.66Å; R345-E354 PolarHBondContact NH1-OE2 3.39Å; R345-E354 IonicContact NH2-OE1 2.68Å; R345-E354 IonicContact NH2-OE2 2.65Å; R345-E354 PolarHBondContact NH2-OE2 2.94Å; V350-E354 HydrophobicContact CG1-CB 3.82Å; E351-E354 HydrophobicContact CB-CG 4.43Å; E351-E354 PolarHBondContact N-OE2 3.39Å; E351-E354 WeakPolarHBondContact O-CB 3.36Å; E351-E354 PolarHBondContact O-N 3.45Å; E351-E354 VanDerWaalsContact O-N 3.11Å; E352-E354 VanDerWaalsContact C-N 3.26Å; E352-E354 PolarHBondContact O-N 2.82Å; E354-F358 WeakPolarHBondContact O-CB 3.28Å; E354-F358 PolarHBondContact O-N 3.43Å
355	Y	95.7	Very high	92.2	Very high	4 Å²	4	70.9 Å²	70.9	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-40.4	174.4	-71.6	-76.9	0	0	0	112.1	I342 V350 E351 E352 F358 Y359 Y372 H374 I386 F388	I342-Y355 HydrophobicContact CD1-CD1 3.58Å; I342-Y355 HydrophobicContact CD1-CE1 3.96Å; I342-Y355 HydrophobicContact CD1-CG 4.26Å; V350-Y355 HydrophobicContact CB-CE2 3.74Å; V350-Y355 HydrophobicContact CG1-CD2 3.83Å; V350-Y355 HydrophobicContact CG1-CE1 4.2Å; V350-Y355 HydrophobicContact CG1-CE2 3.42Å; V350-Y355 VanDerWaalsContact CG1-CE2 3.42Å; V350-Y355 HydrophobicContact CG1-CG 4.38Å; E351-Y355 VanDerWaalsContact O-CD2 3.32Å; E351-Y355 WeakPolarHBondContact O-CD2 3.48Å; E351-Y355 PolarHBondContact O-N 3.41Å; E352-Y355 WeakPolarHBondContact O-CB 3.04Å; E352-Y355 PolarHBondContact O-N 2.91Å; E352-Y355 VanDerWaalsContact O-N 3.12Å; Y355-F358 PolarHBondContact O-N 3.03Å; Y355-Y359 WeakPolarHBondContact O-CB 3.23Å; Y355-Y359 PolarHBondContact O-N 3.33Å; Y355-Y372 AromaticContact CD1-CD2 3.8Å; Y355-Y372 HydrophobicContact CD1-CD2 3.8Å; Y355-Y372 AromaticContact CD1-CE2 3.96Å; Y355-Y372 HydrophobicContact CD1-CE2 3.96Å; Y355-Y372 HydrophobicContact CD1-CG 4.45Å; Y355-Y372 HydrophobicContact CD2-CD2 4.1Å; Y355-Y372 HydrophobicContact CD2-CE1 4.41Å; Y355-Y372 AromaticContact CD2-CE2 3.44Å; Y355-Y372 HydrophobicContact CD2-CE2 3.44Å; Y355-Y372 VanDerWaalsContact CD2-CE2 3.44Å; Y355-Y372 AromaticContact CD2-CZ 3.61Å; Y355-Y372 HydrophobicContact CE1-CD2 4.06Å; Y355-Y372 HydrophobicContact CE1-CE2 4.06Å; Y355-Y372 HydrophobicContact CE2-CD2 4.34Å; Y355-Y372 AromaticContact CE2-CE2 3.54Å; Y355-Y372 HydrophobicContact CE2-CE2 3.54Å; Y355-Y372 AromaticContact CG-CD2 3.83Å; Y355-Y372 HydrophobicContact CG-CD2 3.83Å; Y355-Y372 HydrophobicContact CG-CE1 4.48Å; Y355-Y372 AromaticContact CG-CE2 3.66Å; Y355-Y372 HydrophobicContact CG-CE2 3.66Å; Y355-Y372 HydrophobicContact CG-CG 4.31Å; Y355-Y372 AromaticContact CZ-CE2 3.86Å; Y355-H374 HydrophobicContact CE1-CB 3.88Å; Y355-H374 AromaticContact CE1-ND1 3.9Å; Y355-H374 AromaticContact CZ-ND1 3.74Å; Y355-H374 WeakPolarHBondContact OH-CB 3.23Å; Y355-H374 PolarHBondContact OH-ND1 3.18Å; Y355-I386 HydrophobicContact CD1-CD1 4.28Å; Y355-I386 HydrophobicContact CD1-CG2 4.09Å; Y355-I386 HydrophobicContact CE1-CD1 3.83Å; Y355-I386 HydrophobicContact CE1-CG1 4.32Å; Y355-I386 HydrophobicContact CE1-CG2 4.16Å; Y355-F388 HydrophobicContact CD1-CZ 4.4Å
356	K	95.1	Very high	92.1	Very high	44 Å²	44	71.2 Å²	71.2	19%	0.191	37%	0.371	C	S	.	.	H	α-helix	trans	-65	-48.5	177.4	-69.6	168.5	175.1	164.1	0	111.3	E352 D353 F358 Y359 K360 D368	E352-K356 PolarHBondContact O-N 3.39Å; E352-K356 VanDerWaalsContact O-N 3.09Å; E352-K356 WeakPolarHBondContact OE1-CE 3.11Å; E352-K356 IonicContact OE1-NZ 2.83Å; E352-K356 PolarHBondContact OE1-NZ 3.31Å; D353-K356 PolarHBondContact O-N 3.03Å; D353-K356 IonicContact OD1-NZ 3.72Å; K356-F358 VanDerWaalsContact C-N 3.32Å; K356-F358 PolarHBondContact O-N 2.96Å; K356-Y359 PolarHBondContact O-N 3.16Å; K356-K360 WeakPolarHBondContact O-CG 3.37Å; K356-K360 PolarHBondContact O-N 2.81Å; K356-D368 WeakPolarHBondContact CD-OD2 3.3Å; K356-D368 WeakPolarHBondContact CE-OD2 3.34Å; K356-D368 HydrophobicContact CG-CB 4.4Å
357	A	92.4	Very high	92.2	Very high	59 Å²	59	72.1 Å²	72.1	49%	0.488	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-43.9	176.7	0	0	0	0	0	111.4	D353 K360 S361	D353-A357 VanDerWaalsContact O-CB 3.31Å; D353-A357 WeakPolarHBondContact O-CB 3.41Å; D353-A357 PolarHBondContact O-N 2.85Å; A357-K360 PolarHBondContact O-N 3.24Å; A357-S361 PolarHBondContact O-N 2.86Å; A357-S361 VanDerWaalsContact O-N 3.08Å; A357-S361 PolarHBondContact O-OG 3.32Å
358	F	93.9	Very high	92.4	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.026	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-44.7	174.9	178.6	-97.9	0	0	0	112.3	F274 I339 I342 W343 E354 Y355 K356 K360 S361 F362 F388 V436	F274-F358 AromaticContact CE1-CE2 3.89Å; F274-F358 HydrophobicContact CE1-CE2 3.89Å; F274-F358 AromaticContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CE2 3.88Å; F274-F358 HydrophobicContact CZ-CZ 4.15Å; I339-F358 HydrophobicContact CG2-CD2 3.55Å; I339-F358 HydrophobicContact CG2-CE2 3.69Å; I342-F358 HydrophobicContact CD1-CB 3.5Å; I342-F358 HydrophobicContact CD1-CD1 3.76Å; I342-F358 HydrophobicContact CD1-CD2 4.24Å; I342-F358 HydrophobicContact CD1-CG 3.54Å; I342-F358 HydrophobicContact CG1-CB 4.13Å; I342-F358 HydrophobicContact CG1-CD1 4.12Å; I342-F358 HydrophobicContact CG1-CD2 3.97Å; I342-F358 HydrophobicContact CG1-CG 3.77Å; W343-F358 HydrophobicContact CE3-CE2 4.37Å; W343-F358 HydrophobicContact CE3-CZ 4.09Å; W343-F358 HydrophobicContact CH2-CE2 4.44Å; W343-F358 HydrophobicContact CH2-CZ 4.41Å; W343-F358 HydrophobicContact CZ3-CE1 4.39Å; W343-F358 AromaticContact CZ3-CE2 3.55Å; W343-F358 HydrophobicContact CZ3-CE2 3.55Å; W343-F358 AromaticContact CZ3-CZ 3.43Å; W343-F358 HydrophobicContact CZ3-CZ 3.43Å; W343-F358 VanDerWaalsContact CZ3-CZ 3.43Å; E354-F358 WeakPolarHBondContact O-CB 3.28Å; E354-F358 PolarHBondContact O-N 3.43Å; Y355-F358 PolarHBondContact O-N 3.03Å; K356-F358 VanDerWaalsContact C-N 3.32Å; K356-F358 PolarHBondContact O-N 2.96Å; F358-K360 PolarHBondContact O-N 2.94Å; F358-S361 PolarHBondContact O-N 2.9Å; F358-S361 PolarHBondContact O-OG 2.9Å; F358-S361 VanDerWaalsContact O-OG 3.09Å; F358-F362 HydrophobicContact CE1-CB 4.1Å; F358-F362 HydrophobicContact CE1-CG 4.25Å; F358-F362 HydrophobicContact CE2-CB 4.33Å; F358-F362 HydrophobicContact CZ-CB 3.97Å; F358-F362 HydrophobicContact CZ-CD2 4.07Å; F358-F362 HydrophobicContact CZ-CG 4.06Å; F358-F362 WeakPolarHBondContact O-CB 3.08Å; F358-F362 PolarHBondContact O-N 3.03Å; F358-F388 AromaticContact CD1-CE2 3.87Å; F358-F388 HydrophobicContact CD1-CE2 3.87Å; F358-F388 AromaticContact CD1-CZ 3.81Å; F358-F388 HydrophobicContact CD1-CZ 3.81Å; F358-F388 AromaticContact CE1-CE2 3.96Å; F358-F388 HydrophobicContact CE1-CE2 3.96Å; F358-F388 HydrophobicContact CE1-CZ 4.35Å; F358-V436 HydrophobicContact CE1-CG1 4.42Å; F358-V436 HydrophobicContact CE1-CG2 4.47Å; F358-V436 HydrophobicContact CZ-CG1 4.02Å; F358-V436 HydrophobicContact CZ-CG2 4.42Å
359	Y	94.9	Very high	92.6	Very high	3 Å²	3	63.2 Å²	63.2	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-46.5	178.1	172.4	-100.3	0	0	0	112	Y355 K356 S363 E365 D367 P369 F388 P390 K434	Y355-Y359 WeakPolarHBondContact O-CB 3.23Å; Y355-Y359 PolarHBondContact O-N 3.33Å; K356-Y359 PolarHBondContact O-N 3.16Å; Y359-S363 WeakPolarHBondContact CD2-OG 3.48Å; Y359-S363 WeakPolarHBondContact CE2-OG 3.46Å; Y359-S363 WeakPolarHBondContact O-CB 3.38Å; Y359-S363 PolarHBondContact O-N 3.35Å; Y359-S363 PolarHBondContact O-OG 3.3Å; Y359-E365 HydrophobicContact CE1-CB 3.85Å; Y359-E365 HydrophobicContact CE1-CG 4.17Å; Y359-D367 WeakPolarHBondContact CE1-O 3.26Å; Y359-P369 HydrophobicContact CD1-CB 3.87Å; Y359-P369 VanDerWaalsContact CD1-CD 3.47Å; Y359-P369 HydrophobicContact CD1-CG 3.97Å; Y359-P369 HydrophobicContact CD2-CB 3.92Å; Y359-P369 HydrophobicContact CD2-CG 4.36Å; Y359-P369 HydrophobicContact CE1-CB 4.06Å; Y359-P369 HydrophobicContact CE2-CB 4.1Å; Y359-P369 HydrophobicContact CG-CB 3.78Å; Y359-P369 HydrophobicContact CG-CG 3.81Å; Y359-F388 HydrophobicContact CD2-CB 3.61Å; Y359-F388 AromaticContact CD2-CD1 3.73Å; Y359-F388 HydrophobicContact CD2-CD1 3.73Å; Y359-F388 AromaticContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CE1 4.37Å; Y359-F388 AromaticContact CD2-CG 3.5Å; Y359-F388 HydrophobicContact CD2-CG 3.5Å; Y359-F388 HydrophobicContact CE2-CB 3.74Å; Y359-F388 HydrophobicContact CE2-CG 4.17Å; Y359-F388 HydrophobicContact CG-CD1 4.17Å; Y359-F388 HydrophobicContact CG-CG 4.37Å; Y359-P390 WeakPolarHBondContact OH-CA 3.46Å; Y359-P390 WeakPolarHBondContact OH-CB 3.36Å; Y359-K434 HydrophobicContact CE2-CB 4.37Å; Y359-K434 HydrophobicContact CE2-CD 4.06Å
360	K	92.3	Very high	92.7	Very high	73 Å²	73	58.2 Å²	58.2	32%	0.317	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-47.8	-179.8	-71	-178.1	-173.2	-174	0	112	K356 A357 F358 K364 E365 S366 D368	K356-K360 WeakPolarHBondContact O-CG 3.37Å; K356-K360 PolarHBondContact O-N 2.81Å; A357-K360 PolarHBondContact O-N 3.24Å; F358-K360 PolarHBondContact O-N 2.94Å; K360-K364 VanDerWaalsContact O-CA 3.25Å; K360-K364 WeakPolarHBondContact O-CA 3.28Å; K360-K364 PolarHBondContact O-N 2.72Å; K360-E365 WeakPolarHBondContact CA-O 3.19Å; K360-E365 VanDerWaalsContact CB-O 3.25Å; K360-E365 WeakPolarHBondContact CB-O 3.41Å; K360-E365 WeakPolarHBondContact CG-O 3.31Å; K360-E365 PolarHBondContact O-N 2.9Å; K360-E365 VanDerWaalsContact O-N 3.14Å; K360-S366 WeakPolarHBondContact CD-O 3.17Å; K360-S366 WeakPolarHBondContact CE-O 3.44Å; K360-S366 PolarHBondContact NZ-O 2.56Å; K360-S366 VanDerWaalsContact NZ-O 3.14Å; K360-D368 WeakPolarHBondContact CE-OD1 3.43Å; K360-D368 IonicContact NZ-OD1 3.72Å; K360-D368 PolarHBondContact NZ-OD1 3.28Å
361	S	88	Confident	92.9	Very high	51 Å²	51	58.5 Å²	58.5	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-67.8	-45.1	-179.9	63.7	0	0	0	0	112	A357 F358	A357-S361 PolarHBondContact O-N 2.86Å; A357-S361 VanDerWaalsContact O-N 3.08Å; A357-S361 PolarHBondContact O-OG 3.32Å; F358-S361 PolarHBondContact O-N 2.9Å; F358-S361 PolarHBondContact O-OG 2.9Å; F358-S361 VanDerWaalsContact O-OG 3.09Å
362	F	89.3	Confident	93.1	Very high	13 Å²	13	56.2 Å²	56.2	6%	0.057	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-45.1	-179.7	175.7	-100.2	0	0	0	113.1	F274 F358 K410 G435 V436	F274-F362 HydrophobicContact CE2-CD2 4.49Å; F274-F362 HydrophobicContact CZ-CD2 4.11Å; F358-F362 HydrophobicContact CE1-CB 4.1Å; F358-F362 HydrophobicContact CE1-CG 4.25Å; F358-F362 HydrophobicContact CE2-CB 4.33Å; F358-F362 HydrophobicContact CZ-CB 3.97Å; F358-F362 HydrophobicContact CZ-CD2 4.07Å; F358-F362 HydrophobicContact CZ-CG 4.06Å; F358-F362 WeakPolarHBondContact O-CB 3.08Å; F358-F362 PolarHBondContact O-N 3.03Å; F362-K410 HydrophobicContact CE2-CB 4.4Å; F362-K410 HydrophobicContact CE2-CD 3.76Å; F362-K410 HydrophobicContact CE2-CG 4.34Å; F362-K410 HydrophobicContact CZ-CB 4.09Å; F362-K410 HydrophobicContact CZ-CD 3.73Å; F362-K410 HydrophobicContact CZ-CG 3.9Å; F362-G435 WeakPolarHBondContact CE1-O 3.35Å; F362-G435 WeakPolarHBondContact CZ-O 3.19Å; F362-V436 HydrophobicContact CD2-CG1 3.96Å; F362-V436 HydrophobicContact CE1-CG1 4.22Å; F362-V436 HydrophobicContact CE2-CG1 3.37Å; F362-V436 HydrophobicContact CZ-CG1 3.53Å
363	S	88.8	Confident	93.2	Very high	21 Å²	21	52.4 Å²	52.4	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-88.9	-7.5	-174.5	-51.6	0	0	0	0	113.3	Y359 E365 K434	Y359-S363 WeakPolarHBondContact CD2-OG 3.48Å; Y359-S363 WeakPolarHBondContact CE2-OG 3.46Å; Y359-S363 WeakPolarHBondContact O-CB 3.38Å; Y359-S363 PolarHBondContact O-N 3.35Å; Y359-S363 PolarHBondContact O-OG 3.3Å; S363-E365 PolarHBondContact O-N 3.13Å; S363-K434 WeakPolarHBondContact OG-CD 3.46Å
364	K	88	Confident	93.5	Very high	192 Å²	192	48 Å²	48	84%	0.835	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	38.3	-170.3	-54.6	179	-178.9	179.3	0	112.4	K360	K360-K364 VanDerWaalsContact O-CA 3.25Å; K360-K364 WeakPolarHBondContact O-CA 3.28Å; K360-K364 PolarHBondContact O-N 2.72Å
365	E	88.6	Confident	93.6	Very high	69 Å²	69	45.8 Å²	45.8	32%	0.322	24%	0.244	S	C	.	.			trans	-103.6	150.6	179	-70.4	-72.9	-179.7	0	0	110	Y359 K360 S363 K434	Y359-E365 HydrophobicContact CE1-CB 3.85Å; Y359-E365 HydrophobicContact CE1-CG 4.17Å; K360-E365 WeakPolarHBondContact CA-O 3.19Å; K360-E365 VanDerWaalsContact CB-O 3.25Å; K360-E365 WeakPolarHBondContact CB-O 3.41Å; K360-E365 WeakPolarHBondContact CG-O 3.31Å; K360-E365 PolarHBondContact O-N 2.9Å; K360-E365 VanDerWaalsContact O-N 3.14Å; S363-E365 PolarHBondContact O-N 3.13Å; E365-K434 VanDerWaalsContact CG-NZ 3.31Å; E365-K434 IonicContact OE1-NZ 2.87Å; E365-K434 PolarHBondContact OE1-NZ 3.43Å
366	S	90.4	Very high	93.5	Very high	92 Å²	92	49.3 Å²	49.3	64%	0.643	27%	0.265	S	S	*	.	S	Bend	trans	-91.6	-32.3	175.3	52.1	0	0	0	0	112.3	K360	K360-S366 WeakPolarHBondContact CD-O 3.17Å; K360-S366 WeakPolarHBondContact CE-O 3.44Å; K360-S366 PolarHBondContact NZ-O 2.56Å; K360-S366 VanDerWaalsContact NZ-O 3.14Å
367	D	93.4	Very high	93.4	Very high	91 Å²	91	47.5 Å²	47.5	49%	0.487	26%	0.259	S	S	.	.	S	Bend	trans	-81.2	153	-179.2	-71.7	-23.4	0	0	0	112.7	Y359	Y359-D367 WeakPolarHBondContact CE1-O 3.26Å
368	D	96.2	Very high	93.2	Very high	61 Å²	61	52.2 Å²	52.2	33%	0.326	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-67	152.2	171.4	-72.7	1.3	0	0	0	110.5	K356 K360 T391	K356-D368 WeakPolarHBondContact CD-OD2 3.3Å; K356-D368 WeakPolarHBondContact CE-OD2 3.34Å; K356-D368 HydrophobicContact CG-CB 4.4Å; K360-D368 WeakPolarHBondContact CE-OD1 3.43Å; K360-D368 IonicContact NZ-OD1 3.72Å; K360-D368 PolarHBondContact NZ-OD1 3.28Å; D368-T391 PolarHBondContact O-OG1 3.43Å
369	P	96.9	Very high	92.8	Very high	14 Å²	14	55 Å²	55	9%	0.091	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-70	147.5	172.2	30.3	-32.6	0	0	0	111.1	Y359 A371 F388	Y359-P369 HydrophobicContact CD1-CB 3.87Å; Y359-P369 VanDerWaalsContact CD1-CD 3.47Å; Y359-P369 HydrophobicContact CD1-CG 3.97Å; Y359-P369 HydrophobicContact CD2-CB 3.92Å; Y359-P369 HydrophobicContact CD2-CG 4.36Å; Y359-P369 HydrophobicContact CE1-CB 4.06Å; Y359-P369 HydrophobicContact CE2-CB 4.1Å; Y359-P369 HydrophobicContact CG-CB 3.78Å; Y359-P369 HydrophobicContact CG-CG 3.81Å; P369-A371 VanDerWaalsContact C-N 3.34Å; P369-A371 PolarHBondContact O-N 3.21Å; P369-F388 HydrophobicContact CB-CB 4.36Å; P369-F388 HydrophobicContact CB-CD1 3.78Å; P369-F388 HydrophobicContact CG-CD1 3.81Å; P369-F388 HydrophobicContact CG-CE1 4.19Å
370	M	96.1	Very high	92.2	Very high	9 Å²	9	61 Å²	61	4%	0.044	33%	0.329	C	S	.	.	S	Bend	trans	-65.3	-41.1	176.8	-171.6	179.4	-68	0	0	111.9	V389 T391 I475 K479 F484 F488	M370-V389 HydrophobicContact CB-CB 4.34Å; M370-V389 HydrophobicContact CB-CG1 4.16Å; M370-V389 WeakPolarHBondContact CB-O 3.39Å; M370-V389 PolarHBondContact N-O 3.47Å; M370-V389 HydrophobicContact SD-CG1 4.34Å; M370-T391 VanDerWaalsContact CE-O 3.3Å; M370-T391 WeakPolarHBondContact CE-O 3.41Å; M370-T391 PolarHBondContact N-OG1 3.03Å; M370-I475 HydrophobicContact SD-CD1 4.43Å; M370-K479 PolarHBondContact O-NZ 3.18Å; M370-F484 HydrophobicContact CE-CB 4.32Å; M370-F484 HydrophobicContact SD-CB 3.52Å; M370-F484 VanDerWaalsContact SD-CB 3.52Å; M370-F484 HydrophobicContact SD-CD2 3.72Å; M370-F484 HydrophobicContact SD-CG 4.12Å; M370-F488 HydrophobicContact CE-CE2 4.49Å
371	A	97.1	Very high	92	Very high	18 Å²	18	57.7 Å²	57.7	15%	0.149	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	156.1	179.8	0	0	0	0	0	109.9	P369 F388 V389 M471 I475	P369-A371 VanDerWaalsContact C-N 3.34Å; P369-A371 PolarHBondContact O-N 3.21Å; A371-F388 WeakPolarHBondContact O-CA 3.26Å; A371-V389 HydrophobicContact CB-CB 4.39Å; A371-V389 HydrophobicContact CB-CG2 4.44Å; A371-V389 PolarHBondContact O-N 3.38Å; A371-M471 HydrophobicContact CB-CG 4.18Å; A371-M471 HydrophobicContact CB-SD 4.37Å; A371-I475 HydrophobicContact CB-CD1 4.17Å; A371-I475 HydrophobicContact CB-CG1 4.07Å
372	Y	97.4	Very high	92.1	Very high	82 Å²	82	58 Å²	58	32%	0.322	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.2	172.6	68.2	-88.2	0	0	0	111	E352 Y355 L387 F388	E352-Y372 HydrophobicContact CG-CE1 4.04Å; Y355-Y372 AromaticContact CD1-CD2 3.8Å; Y355-Y372 HydrophobicContact CD1-CD2 3.8Å; Y355-Y372 AromaticContact CD1-CE2 3.96Å; Y355-Y372 HydrophobicContact CD1-CE2 3.96Å; Y355-Y372 HydrophobicContact CD1-CG 4.45Å; Y355-Y372 HydrophobicContact CD2-CD2 4.1Å; Y355-Y372 HydrophobicContact CD2-CE1 4.41Å; Y355-Y372 AromaticContact CD2-CE2 3.44Å; Y355-Y372 HydrophobicContact CD2-CE2 3.44Å; Y355-Y372 VanDerWaalsContact CD2-CE2 3.44Å; Y355-Y372 AromaticContact CD2-CZ 3.61Å; Y355-Y372 HydrophobicContact CE1-CD2 4.06Å; Y355-Y372 HydrophobicContact CE1-CE2 4.06Å; Y355-Y372 HydrophobicContact CE2-CD2 4.34Å; Y355-Y372 AromaticContact CE2-CE2 3.54Å; Y355-Y372 HydrophobicContact CE2-CE2 3.54Å; Y355-Y372 AromaticContact CG-CD2 3.83Å; Y355-Y372 HydrophobicContact CG-CD2 3.83Å; Y355-Y372 HydrophobicContact CG-CE1 4.48Å; Y355-Y372 AromaticContact CG-CE2 3.66Å; Y355-Y372 HydrophobicContact CG-CE2 3.66Å; Y355-Y372 HydrophobicContact CG-CG 4.31Å; Y355-Y372 AromaticContact CZ-CE2 3.86Å; Y372-L387 CarbonylContact C-O 3.54Å; Y372-L387 VanDerWaalsContact CA-O 3.23Å; Y372-L387 WeakPolarHBondContact CA-O 3.48Å; Y372-F388 VanDerWaalsContact CB-CD1 3.46Å; Y372-F388 HydrophobicContact CG-CE1 4.34Å
373	I	97.4	Very high	92.3	Very high	21 Å²	21	57.6 Å²	57.6	11%	0.108	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.6	170.3	-169.6	167.9	0	0	0	109.8	F375 I386 L387 K467 M471	I373-F375 HydrophobicContact CG1-CD1 4.28Å; I373-F375 HydrophobicContact CG2-CD1 4.36Å; I373-F375 HydrophobicContact CG2-CE1 4.46Å; I373-I386 VanDerWaalsContact O-CA 3.31Å; I373-I386 WeakPolarHBondContact O-CA 3.47Å; I373-L387 HydrophobicContact CG2-CB 3.88Å; I373-L387 HydrophobicContact CG2-CG 4.49Å; I373-L387 PolarHBondContact N-O 2.94Å; I373-L387 PolarHBondContact O-N 3.21Å; I373-K467 HydrophobicContact CD1-CB 4.22Å; I373-K467 HydrophobicContact CD1-CD 4.17Å; I373-K467 WeakPolarHBondContact CD1-O 3.12Å; I373-M471 HydrophobicContact CB-CB 3.97Å; I373-M471 HydrophobicContact CB-CG 4.06Å; I373-M471 HydrophobicContact CB-SD 3.85Å; I373-M471 HydrophobicContact CD1-CB 4.14Å; I373-M471 HydrophobicContact CG2-CB 3.96Å; I373-M471 HydrophobicContact CG2-CE 4.24Å; I373-M471 HydrophobicContact CG2-CG 4.2Å; I373-M471 HydrophobicContact CG2-SD 3.59Å; I373-M471 VanDerWaalsContact CG2-SD 3.59Å
374	H	97.4	Very high	92.7	Very high	25 Å²	25	59.2 Å²	59.2	12%	0.116	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.2	172	-176.6	179.9	0	0	0	108.8	W343 R345 Y355 I386	W343-H374 PolarHBondContact O-NE2 3.33Å; R345-H374 PolarHBondContact O-CE1 3.09Å; R345-H374 VanDerWaalsContact O-CE1 3.24Å; Y355-H374 HydrophobicContact CE1-CB 3.88Å; Y355-H374 AromaticContact CE1-ND1 3.9Å; Y355-H374 AromaticContact CZ-ND1 3.74Å; Y355-H374 WeakPolarHBondContact OH-CB 3.23Å; Y355-H374 PolarHBondContact OH-ND1 3.18Å; H374-I386 HydrophobicContact CB-CG1 4.06Å
375	F	95.9	Very high	93	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154	176.8	67.1	-81	0	0	0	112.7	I373 A377 F383 S385 L387 L464 K467	I373-F375 HydrophobicContact CG1-CD1 4.28Å; I373-F375 HydrophobicContact CG2-CD1 4.36Å; I373-F375 HydrophobicContact CG2-CE1 4.46Å; F375-A377 HydrophobicContact CD2-CB 4.36Å; F375-A377 HydrophobicContact CE2-CB 4.18Å; F375-F383 AromaticContact CE2-CE2 3.76Å; F375-F383 HydrophobicContact CE2-CE2 3.76Å; F375-F383 HydrophobicContact CE2-CZ 4.2Å; F375-F383 HydrophobicContact CZ-CE2 4.09Å; F375-S385 PolarHBondContact N-O 3.35Å; F375-S385 PolarHBondContact O-N 3.11Å; F375-L387 HydrophobicContact CE1-CD1 4.09Å; F375-L387 HydrophobicContact CE1-CG 4.29Å; F375-L464 HydrophobicContact CZ-CD2 3.8Å; F375-K467 HydrophobicContact CB-CD 4.41Å; F375-K467 HydrophobicContact CD1-CB 4.01Å; F375-K467 HydrophobicContact CD1-CD 4.26Å; F375-K467 HydrophobicContact CD1-CG 3.95Å; F375-K467 HydrophobicContact CD2-CD 4.21Å; F375-K467 HydrophobicContact CD2-CG 3.85Å; F375-K467 HydrophobicContact CE1-CB 3.66Å; F375-K467 HydrophobicContact CE1-CG 3.86Å; F375-K467 HydrophobicContact CE2-CB 4.38Å; F375-K467 HydrophobicContact CE2-CG 3.76Å; F375-K467 HydrophobicContact CG-CD 4.02Å; F375-K467 HydrophobicContact CG-CG 3.93Å; F375-K467 HydrophobicContact CZ-CB 3.86Å; F375-K467 HydrophobicContact CZ-CG 3.76Å
376	T	94.8	Very high	93.5	Very high	77 Å²	77	46.8 Å²	46.8	47%	0.472	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.7	165.2	-52.2	0	0	0	0	108.6	E378 K384	T376-E378 HydrophobicContact CG2-CG 4.38Å; T376-K384 HydrophobicContact CG2-CG 4.15Å
377	A	92.9	Very high	93.8	Very high	7 Å²	7	42.4 Å²	42.4	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.8	176	0	0	0	0	0	108.9	F375 T382 F383 K463	F375-A377 HydrophobicContact CD2-CB 4.36Å; F375-A377 HydrophobicContact CE2-CB 4.18Å; A377-T382 VanDerWaalsContact O-CA 3.25Å; A377-T382 WeakPolarHBondContact O-CA 3.43Å; A377-F383 HydrophobicContact CB-CD1 3.71Å; A377-F383 HydrophobicContact CB-CD2 4.08Å; A377-F383 HydrophobicContact CB-CE1 3.45Å; A377-F383 VanDerWaalsContact CB-CE1 3.45Å; A377-F383 HydrophobicContact CB-CE2 3.83Å; A377-F383 HydrophobicContact CB-CG 4.03Å; A377-F383 HydrophobicContact CB-CZ 3.53Å; A377-F383 PolarHBondContact N-O 3.26Å; A377-F383 PolarHBondContact O-N 3.36Å; A377-K463 HydrophobicContact CB-CD 3.55Å
378	E	87.9	Confident	94	Very high	158 Å²	158	38.1 Å²	38.1	74%	0.738	21%	0.208	S	C	*	.			trans	-115.6	163.4	179.9	-63.9	173.1	-173.9	0	0	111.3	T376 K463	T376-E378 HydrophobicContact CG2-CG 4.38Å; E378-K463 PolarHBondContact O-NZ 2.79Å
379	G	85.6	Confident	94.1	Very high	63 Å²	63	35.2 Å²	35.2	65%	0.649	19%	0.193	S	C	*	.	S	Bend	trans	117.7	-133.8	-179.7	0	0	0	0	0	112.6	V381	G379-V381 PolarHBondContact O-N 3.29Å
380	E	82.6	Confident	94.1	Very high	131 Å²	131	34.6 Å²	34.6	61%	0.612	19%	0.189	S	C	*	.	S	Bend	trans	-60.4	-29.3	-178.5	-173.4	179.6	-176.1	0	0	113.7
381	V	86.7	Confident	94.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	20%	0.202	C	C	.	.	S	Bend	trans	-132.3	129.3	171	-176.5	0	0	0	0	107.7	G379 F383 L442 L456 V459 I460 K463	G379-V381 PolarHBondContact O-N 3.29Å; V381-F383 HydrophobicContact CB-CD1 4.49Å; V381-F383 HydrophobicContact CG1-CD1 3.91Å; V381-L442 HydrophobicContact CG1-CD2 3.81Å; V381-L456 HydrophobicContact CG2-CB 4.01Å; V381-L456 HydrophobicContact CG2-CD2 3.74Å; V381-L456 HydrophobicContact CG2-CG 4.29Å; V381-V459 HydrophobicContact CG2-CG1 4.44Å; V381-I460 HydrophobicContact CG1-CD1 4.24Å; V381-I460 HydrophobicContact CG1-CG1 4.06Å; V381-K463 PolarHBondContact O-NZ 3.26Å
382	T	91.1	Very high	93.9	Very high	57 Å²	57	38.6 Å²	38.6	35%	0.35	22%	0.215	S	C	.	.			trans	-99.9	124.6	173.1	72.3	0	0	0	0	110.6	A377 S439 D441	A377-T382 VanDerWaalsContact O-CA 3.25Å; A377-T382 WeakPolarHBondContact O-CA 3.43Å; T382-S439 WeakPolarHBondContact O-CB 3.23Å; T382-S439 PolarHBondContact O-OG 3.26Å; T382-D441 PolarHBondContact OG1-OD1 3.29Å; T382-D441 PolarHBondContact OG1-OD2 3.44Å
383	F	94.1	Very high	93.8	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	153.6	177.2	68	-94.3	0	0	0	111.6	F375 A377 V381 V437 D438 I460 K463 L464	F375-F383 AromaticContact CE2-CE2 3.76Å; F375-F383 HydrophobicContact CE2-CE2 3.76Å; F375-F383 HydrophobicContact CE2-CZ 4.2Å; F375-F383 HydrophobicContact CZ-CE2 4.09Å; A377-F383 HydrophobicContact CB-CD1 3.71Å; A377-F383 HydrophobicContact CB-CD2 4.08Å; A377-F383 HydrophobicContact CB-CE1 3.45Å; A377-F383 VanDerWaalsContact CB-CE1 3.45Å; A377-F383 HydrophobicContact CB-CE2 3.83Å; A377-F383 HydrophobicContact CB-CG 4.03Å; A377-F383 HydrophobicContact CB-CZ 3.53Å; A377-F383 PolarHBondContact N-O 3.26Å; A377-F383 PolarHBondContact O-N 3.36Å; V381-F383 HydrophobicContact CB-CD1 4.49Å; V381-F383 HydrophobicContact CG1-CD1 3.91Å; F383-V437 HydrophobicContact CB-CG1 4.41Å; F383-V437 HydrophobicContact CD2-CG1 3.73Å; F383-V437 HydrophobicContact CE2-CG1 4.18Å; F383-V437 HydrophobicContact CG-CG1 4.18Å; F383-D438 CarbonylContact C-O 3.57Å; F383-D438 VanDerWaalsContact CA-O 3.31Å; F383-D438 WeakPolarHBondContact CA-O 3.45Å; F383-D438 VanDerWaalsContact CB-O 3.31Å; F383-D438 WeakPolarHBondContact CB-O 3.36Å; F383-I460 HydrophobicContact CD1-CG1 4.14Å; F383-I460 HydrophobicContact CE1-CB 4.26Å; F383-I460 HydrophobicContact CE1-CG1 3.86Å; F383-I460 HydrophobicContact CE1-CG2 4.21Å; F383-I460 HydrophobicContact CZ-CG2 4.08Å; F383-K463 HydrophobicContact CE1-CB 4.41Å; F383-K463 HydrophobicContact CE1-CD 3.91Å; F383-K463 HydrophobicContact CZ-CB 3.97Å; F383-K463 HydrophobicContact CZ-CD 4.19Å; F383-L464 HydrophobicContact CE2-CD2 3.7Å; F383-L464 HydrophobicContact CZ-CD2 3.98Å
384	K	95.4	Very high	93.4	Very high	56 Å²	56	36.2 Å²	36.2	24%	0.243	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.4	171.3	-57	-178.6	-168.3	173.1	0	108.2	W343 Q344 T376 D438	W343-K384 HydrophobicContact CB-CB 4.48Å; W343-K384 VanDerWaalsContact O-CD 3.23Å; W343-K384 WeakPolarHBondContact O-CD 3.35Å; Q344-K384 PolarHBondContact O-NZ 3.31Å; T376-K384 HydrophobicContact CG2-CG 4.15Å; K384-D438 PolarHBondContact N-O 2.85Å; K384-D438 PolarHBondContact O-N 2.87Å
385	S	96.1	Very high	93	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	-147.6	145	-179	-178.5	0	0	0	0	111.8	F375 V436	F375-S385 PolarHBondContact N-O 3.35Å; F375-S385 PolarHBondContact O-N 3.11Å; S385-V436 VanDerWaalsContact CA-O 3.26Å; S385-V436 WeakPolarHBondContact CA-O 3.26Å; S385-V436 WeakPolarHBondContact CB-O 3.45Å; S385-V436 PolarHBondContact OG-O 3.16Å
386	I	97.4	Very high	92.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.5	166.9	-55.3	169.2	0	0	0	107.5	I342 W343 Y355 I373 H374 F388 G435 V436	I342-I386 HydrophobicContact CD1-CD1 3.66Å; I342-I386 HydrophobicContact CG1-CD1 3.57Å; W343-I386 HydrophobicContact CB-CD1 3.66Å; W343-I386 HydrophobicContact CB-CG1 3.87Å; W343-I386 HydrophobicContact CE3-CD1 4.38Å; Y355-I386 HydrophobicContact CD1-CD1 4.28Å; Y355-I386 HydrophobicContact CD1-CG2 4.09Å; Y355-I386 HydrophobicContact CE1-CD1 3.83Å; Y355-I386 HydrophobicContact CE1-CG1 4.32Å; Y355-I386 HydrophobicContact CE1-CG2 4.16Å; I373-I386 VanDerWaalsContact O-CA 3.31Å; I373-I386 WeakPolarHBondContact O-CA 3.47Å; H374-I386 HydrophobicContact CB-CG1 4.06Å; I386-F388 HydrophobicContact CB-CE2 4.19Å; I386-F388 HydrophobicContact CG2-CD2 4.16Å; I386-F388 HydrophobicContact CG2-CE1 4.14Å; I386-F388 HydrophobicContact CG2-CE2 3.38Å; I386-F388 HydrophobicContact CG2-CZ 3.37Å; I386-G435 CarbonylContact O-C 3.58Å; I386-G435 WeakPolarHBondContact O-CA 3.3Å; I386-V436 HydrophobicContact CB-CG2 4.26Å; I386-V436 PolarHBondContact N-O 3.36Å; I386-V436 PolarHBondContact O-N 3.2Å
387	L	97.6	Very high	92.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.5	175.8	-55	176.4	0	0	0	109.8	Y372 I373 F375 I409 V433 K434 L464 T468 M471	Y372-L387 CarbonylContact C-O 3.54Å; Y372-L387 VanDerWaalsContact CA-O 3.23Å; Y372-L387 WeakPolarHBondContact CA-O 3.48Å; I373-L387 HydrophobicContact CG2-CB 3.88Å; I373-L387 HydrophobicContact CG2-CG 4.49Å; I373-L387 PolarHBondContact N-O 2.94Å; I373-L387 PolarHBondContact O-N 3.21Å; F375-L387 HydrophobicContact CE1-CD1 4.09Å; F375-L387 HydrophobicContact CE1-CG 4.29Å; L387-I409 HydrophobicContact CD2-CD1 4.23Å; L387-V433 HydrophobicContact CB-CG1 4.07Å; L387-V433 HydrophobicContact CD2-CG1 4.38Å; L387-K434 CarbonylContact C-O 3.59Å; L387-K434 WeakPolarHBondContact CA-O 3.31Å; L387-L464 HydrophobicContact CD1-CB 4.47Å; L387-L464 HydrophobicContact CD1-CD2 4.32Å; L387-T468 WeakPolarHBondContact CD1-OG1 3.15Å; L387-M471 HydrophobicContact CB-CE 4.48Å
388	F	97.9	Very high	92.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.6	-176.3	-63.3	-85.6	0	0	0	110.9	Y355 F358 Y359 P369 A371 Y372 I386 K434	Y355-F388 HydrophobicContact CD1-CZ 4.4Å; F358-F388 AromaticContact CD1-CE2 3.87Å; F358-F388 HydrophobicContact CD1-CE2 3.87Å; F358-F388 AromaticContact CD1-CZ 3.81Å; F358-F388 HydrophobicContact CD1-CZ 3.81Å; F358-F388 AromaticContact CE1-CE2 3.96Å; F358-F388 HydrophobicContact CE1-CE2 3.96Å; F358-F388 HydrophobicContact CE1-CZ 4.35Å; Y359-F388 HydrophobicContact CD2-CB 3.61Å; Y359-F388 AromaticContact CD2-CD1 3.73Å; Y359-F388 HydrophobicContact CD2-CD1 3.73Å; Y359-F388 AromaticContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CD2 3.98Å; Y359-F388 HydrophobicContact CD2-CE1 4.37Å; Y359-F388 AromaticContact CD2-CG 3.5Å; Y359-F388 HydrophobicContact CD2-CG 3.5Å; Y359-F388 HydrophobicContact CE2-CB 3.74Å; Y359-F388 HydrophobicContact CE2-CG 4.17Å; Y359-F388 HydrophobicContact CG-CD1 4.17Å; Y359-F388 HydrophobicContact CG-CG 4.37Å; P369-F388 HydrophobicContact CB-CB 4.36Å; P369-F388 HydrophobicContact CB-CD1 3.78Å; P369-F388 HydrophobicContact CG-CD1 3.81Å; P369-F388 HydrophobicContact CG-CE1 4.19Å; A371-F388 WeakPolarHBondContact O-CA 3.26Å; Y372-F388 VanDerWaalsContact CB-CD1 3.46Å; Y372-F388 HydrophobicContact CG-CE1 4.34Å; I386-F388 HydrophobicContact CB-CE2 4.19Å; I386-F388 HydrophobicContact CG2-CD2 4.16Å; I386-F388 HydrophobicContact CG2-CE1 4.14Å; I386-F388 HydrophobicContact CG2-CE2 3.38Å; I386-F388 HydrophobicContact CG2-CZ 3.37Å; F388-K434 PolarHBondContact N-O 3.38Å; F388-K434 PolarHBondContact O-N 2.85Å
389	V	97.6	Very high	92.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	119.3	163.9	-179.1	0	0	0	0	107.5	M370 A371 F432 M471 I472 F484 F488	M370-V389 HydrophobicContact CB-CB 4.34Å; M370-V389 HydrophobicContact CB-CG1 4.16Å; M370-V389 WeakPolarHBondContact CB-O 3.39Å; M370-V389 PolarHBondContact N-O 3.47Å; M370-V389 HydrophobicContact SD-CG1 4.34Å; A371-V389 HydrophobicContact CB-CB 4.39Å; A371-V389 HydrophobicContact CB-CG2 4.44Å; A371-V389 PolarHBondContact O-N 3.38Å; V389-F432 HydrophobicContact CG1-CD2 4.47Å; V389-F432 HydrophobicContact CG1-CE2 4.13Å; V389-F432 HydrophobicContact CG2-CE2 4.49Å; V389-M471 HydrophobicContact CG2-CE 3.35Å; V389-M471 HydrophobicContact CG2-SD 4.08Å; V389-I472 HydrophobicContact CG2-CG1 4.44Å; V389-F484 HydrophobicContact CG1-CD2 3.9Å; V389-F484 HydrophobicContact CG1-CE2 3.77Å; V389-F488 HydrophobicContact CG1-CD2 4.17Å; V389-F488 HydrophobicContact CG1-CE2 3.82Å
390	P	96.8	Very high	92.1	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.013	24%	0.243	C	C	.	.			trans	-58.7	152.8	172.1	-23.2	34.7	0	0	0	112.3	Y359 S392 F432 K434 F488	Y359-P390 WeakPolarHBondContact OH-CA 3.46Å; Y359-P390 WeakPolarHBondContact OH-CB 3.36Å; P390-S392 WeakPolarHBondContact CB-O 3.4Å; P390-F432 VanDerWaalsContact CD-O 3.24Å; P390-F432 WeakPolarHBondContact CD-O 3.45Å; P390-F432 VanDerWaalsContact CG-O 3.31Å; P390-F432 WeakPolarHBondContact CG-O 3.44Å; P390-K434 HydrophobicContact CG-CD 4.18Å; P390-K434 HydrophobicContact CG-CG 4.01Å; P390-F488 HydrophobicContact CB-CZ 4.3Å; P390-F488 VanDerWaalsContact O-CE2 3.31Å; P390-F488 WeakPolarHBondContact O-CE2 3.19Å
391	T	95.6	Very high	92.3	Very high	51 Å²	51	45.3 Å²	45.3	31%	0.313	23%	0.226	S	C	.	.	S	Bend	trans	-70	-36.3	174.2	-68.2	0	0	0	0	112.3	D368 M370	D368-T391 PolarHBondContact O-OG1 3.43Å; M370-T391 VanDerWaalsContact CE-O 3.3Å; M370-T391 WeakPolarHBondContact CE-O 3.41Å; M370-T391 PolarHBondContact N-OG1 3.03Å
392	S	94.6	Very high	92	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	24%	0.238	S	C	.	.	S	Bend	trans	-123.6	147.2	-179.9	-52.9	0	0	0	0	110.2	P390	P390-S392 WeakPolarHBondContact CB-O 3.4Å
393	A	93.9	Very high	91.6	Very high	35 Å²	35	47.9 Å²	47.9	29%	0.289	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-62.9	130.8	175.8	0	0	0	0	0	110.6	L397 E487 F488	A393-L397 HydrophobicContact CB-CD2 4.18Å; A393-E487 HydrophobicContact CB-CB 4.42Å; A393-E487 WeakPolarHBondContact CB-OE2 3.49Å; A393-E487 PolarHBondContact N-OE2 3.08Å; A393-F488 HydrophobicContact CB-CE1 3.97Å; A393-F488 HydrophobicContact CB-CZ 4.49Å
394	P	90.4	Very high	90.9	Very high	17 Å²	17	52.7 Å²	52.7	11%	0.11	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-58.3	143.3	176.9	-25.4	34.1	0	0	0	112.3	G396 L397 Y408	P394-G396 PolarHBondContact O-N 2.95Å; P394-L397 WeakPolarHBondContact O-CB 3.08Å; P394-L397 PolarHBondContact O-N 3.46Å; P394-L397 VanDerWaalsContact O-N 3.16Å; P394-Y408 HydrophobicContact CB-CE2 4.32Å; P394-Y408 WeakPolarHBondContact CB-OH 3.42Å; P394-Y408 HydrophobicContact CG-CE2 3.88Å
395	R	88.1	Confident	90	Very high	248 Å²	248	56.9 Å²	56.9	94%	0.936	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	126.4	175.6	-172.8	176.5	176.7	172.1	-0.9	109.9
396	G	87.2	Confident	89.3	Confident	15 Å²	15	58.3 Å²	58.3	16%	0.155	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	32.2	-179.1	0	0	0	0	0	114.3	P394 F398 D399 K404	P394-G396 PolarHBondContact O-N 2.95Å; G396-F398 PolarHBondContact O-N 3.29Å; G396-D399 WeakPolarHBondContact CA-OD2 3.44Å; G396-D399 PolarHBondContact O-N 3.42Å; G396-K404 PolarHBondContact O-NZ 2.85Å; G396-K404 VanDerWaalsContact O-NZ 3.09Å
397	L	89.2	Confident	88.7	Confident	13 Å²	13	62.5 Å²	62.5	7%	0.068	32%	0.322	C	S	.	.	S	Bend	trans	-58	-34.2	175.7	-177	62.8	0	0	0	113.3	A393 P394 N431 F432 F488	A393-L397 HydrophobicContact CB-CD2 4.18Å; P394-L397 WeakPolarHBondContact O-CB 3.08Å; P394-L397 PolarHBondContact O-N 3.46Å; P394-L397 VanDerWaalsContact O-N 3.16Å; L397-N431 WeakPolarHBondContact CD1-OD1 3.48Å; L397-N431 PolarHBondContact O-ND2 3.2Å; L397-N431 VanDerWaalsContact O-ND2 3.11Å; L397-F432 HydrophobicContact CD1-CB 3.9Å; L397-F432 HydrophobicContact CD2-CB 4.2Å; L397-F488 HydrophobicContact CD2-CD1 4.35Å; L397-F488 HydrophobicContact CD2-CE1 4.37Å
398	F	90.4	Very high	88.4	Confident	81 Å²	81	64.9 Å²	64.9	36%	0.355	33%	0.331	S	S	.	.	S	Bend	trans	-105.8	1.9	-179.8	-61.4	-65.2	0	0	0	113.6	G396 E400 Y401 T490 N491 L494	G396-F398 PolarHBondContact O-N 3.29Å; F398-E400 PolarHBondContact O-N 3.43Å; F398-Y401 AromaticContact CD1-CD2 3.85Å; F398-Y401 HydrophobicContact CD1-CD2 3.85Å; F398-Y401 HydrophobicContact CD1-CE2 4.31Å; F398-Y401 HydrophobicContact CE1-CD2 4.43Å; F398-Y401 HydrophobicContact CE1-CE2 4.44Å; F398-Y401 PolarHBondContact O-N 3.05Å; F398-T490 HydrophobicContact CE1-CG2 4.18Å; F398-T490 HydrophobicContact CE2-CG2 4.25Å; F398-T490 HydrophobicContact CZ-CG2 3.74Å; F398-N491 VanDerWaalsContact CZ-OD1 3.26Å; F398-N491 WeakPolarHBondContact CZ-OD1 3.48Å; F398-L494 HydrophobicContact CD1-CD1 4.46Å; F398-L494 HydrophobicContact CE1-CD1 3.87Å
399	D	88.2	Confident	88.2	Confident	101 Å²	101	65 Å²	65	54%	0.54	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	124.4	174.4	-64.4	-10.3	0	0	0	108.3	G396 Y401 K404	G396-D399 WeakPolarHBondContact CA-OD2 3.44Å; G396-D399 PolarHBondContact O-N 3.42Å; D399-Y401 PolarHBondContact O-N 2.93Å; D399-K404 WeakPolarHBondContact O-CD 3.46Å
400	E	83.1	Confident	87.9	Confident	142 Å²	142	67.2 Å²	67.2	66%	0.664	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	43.4	-177	-59.6	-179.2	173.7	0	0	112.2	F398 G402 S403 K404	F398-E400 PolarHBondContact O-N 3.43Å; E400-G402 PolarHBondContact O-N 3.32Å; E400-G402 VanDerWaalsContact O-N 3.09Å; E400-S403 WeakPolarHBondContact CB-OG 3.23Å; E400-S403 PolarHBondContact O-N 3.01Å; E400-S403 PolarHBondContact O-OG 3.23Å; E400-K404 HydrophobicContact CB-CB 4.16Å; E400-K404 PolarHBondContact O-N 3.39Å
401	Y	86	Confident	87.6	Confident	67 Å²	67	67.1 Å²	67.1	26%	0.263	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	119.4	-176.8	-178.7	-100.6	0	0	0	111.8	F398 D399 K428 Y429 L494 E498	F398-Y401 AromaticContact CD1-CD2 3.85Å; F398-Y401 HydrophobicContact CD1-CD2 3.85Å; F398-Y401 HydrophobicContact CD1-CE2 4.31Å; F398-Y401 HydrophobicContact CE1-CD2 4.43Å; F398-Y401 HydrophobicContact CE1-CE2 4.44Å; F398-Y401 PolarHBondContact O-N 3.05Å; D399-Y401 PolarHBondContact O-N 2.93Å; Y401-K428 HydrophobicContact CE1-CB 4.4Å; Y401-K428 HydrophobicContact CE2-CB 4.25Å; Y401-K428 WeakPolarHBondContact OH-CB 3.32Å; Y401-Y429 PolarHBondContact OH-N 3.49Å; Y401-L494 HydrophobicContact CE1-CD1 4.18Å; Y401-L494 HydrophobicContact CE2-CD1 4Å; Y401-E498 WeakPolarHBondContact CE1-OE1 3.33Å; Y401-E498 PolarHBondContact OH-OE1 3.1Å; Y401-E498 PolarHBondContact OH-OE2 3.15Å
402	G	81	Confident	87.5	Confident	25 Å²	25	64.7 Å²	64.7	26%	0.258	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-10.8	177.5	0	0	0	0	0	116.2	E400 K428	E400-G402 PolarHBondContact O-N 3.32Å; E400-G402 VanDerWaalsContact O-N 3.09Å; G402-K428 WeakPolarHBondContact O-CE 3.41Å; G402-K428 PolarHBondContact O-NZ 3.23Å
403	S	81.9	Confident	87.3	Confident	87 Å²	87	62.2 Å²	62.2	61%	0.608	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-34.6	168.7	49.9	0	0	0	0	112.6	E400 K405	E400-S403 WeakPolarHBondContact CB-OG 3.23Å; E400-S403 PolarHBondContact O-N 3.01Å; E400-S403 PolarHBondContact O-OG 3.23Å; S403-K405 PolarHBondContact O-N 2.74Å
404	K	81.1	Confident	87.1	Confident	106 Å²	106	64 Å²	64	46%	0.461	31%	0.308	S	S	.	.	S	Bend	trans	-64.1	122.3	175	-173	174.3	177.5	-177.4	0	110.5	G396 D399 E400	G396-K404 PolarHBondContact O-NZ 2.85Å; G396-K404 VanDerWaalsContact O-NZ 3.09Å; D399-K404 WeakPolarHBondContact O-CD 3.46Å; E400-K404 HydrophobicContact CB-CB 4.16Å; E400-K404 PolarHBondContact O-N 3.39Å
405	K	76.7	Confident	87.1	Confident	145 Å²	145	64.7 Å²	64.7	63%	0.63	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-76.8	123.2	174.5	-63.8	-168.8	177.1	-160.8	0	109.3	S403 D421	S403-K405 PolarHBondContact O-N 2.74Å; K405-D421 VanDerWaalsContact NZ-CG 3.34Å; K405-D421 IonicContact NZ-OD1 3.81Å; K405-D421 PolarHBondContact NZ-OD1 3.11Å; K405-D421 IonicContact NZ-OD2 3.37Å; K405-D421 PolarHBondContact NZ-OD2 3.32Å
406	S	80.9	Confident	87.1	Confident	30 Å²	30	53.1 Å²	53.1	21%	0.21	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-84.8	128.4	171.6	58.9	0	0	0	0	109.9
407	D	85.3	Confident	87.3	Confident	87 Å²	87	52.9 Å²	52.9	47%	0.465	26%	0.259	S	S	.	.			trans	-96.6	12.9	177.9	65.1	-28.5	0	0	0	113.2	I409 D420	D407-I409 PolarHBondContact O-N 2.91Å; D407-D420 HydrophobicContact CB-CB 4.24Å
408	Y	91	Very high	87.3	Confident	50 Å²	50	52.7 Å²	52.7	20%	0.196	26%	0.258	C	S	.	.	S	Bend	trans	-71.9	-25.9	-170	-70	-15.1	0	0	0	115.2	P394 N431 V433 K434 G435	P394-Y408 HydrophobicContact CB-CE2 4.32Å; P394-Y408 WeakPolarHBondContact CB-OH 3.42Å; P394-Y408 HydrophobicContact CG-CE2 3.88Å; Y408-N431 WeakPolarHBondContact CD2-O 3.06Å; Y408-N431 VanDerWaalsContact CE2-O 3.3Å; Y408-N431 WeakPolarHBondContact CE2-O 3.4Å; Y408-V433 WeakPolarHBondContact CB-O 3.46Å; Y408-K434 HydrophobicContact CD1-CG 4.49Å; Y408-K434 HydrophobicContact CD2-CG 4.37Å; Y408-K434 HydrophobicContact CG-CG 4.01Å; Y408-K434 CarbonylContact O-C 3.58Å; Y408-K434 VanDerWaalsContact O-CA 3.28Å; Y408-K434 WeakPolarHBondContact O-CA 3.33Å; Y408-G435 PolarHBondContact O-N 3.48Å
409	I	92.4	Very high	87.2	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.2	174.3	-54.7	165.3	0	0	0	108.3	L387 D407 F422 M426 V433 G435 V437	L387-I409 HydrophobicContact CD2-CD1 4.23Å; D407-I409 PolarHBondContact O-N 2.91Å; I409-F422 HydrophobicContact CB-CD1 3.89Å; I409-F422 HydrophobicContact CB-CD2 3.72Å; I409-F422 HydrophobicContact CB-CE1 3.46Å; I409-F422 VanDerWaalsContact CB-CE1 3.46Å; I409-F422 HydrophobicContact CB-CE2 3.28Å; I409-F422 HydrophobicContact CB-CG 4.05Å; I409-F422 HydrophobicContact CB-CZ 3.18Å; I409-F422 HydrophobicContact CD1-CD1 3.82Å; I409-F422 HydrophobicContact CD1-CE1 3.25Å; I409-F422 HydrophobicContact CD1-CZ 3.81Å; I409-F422 HydrophobicContact CG1-CD1 4.31Å; I409-F422 HydrophobicContact CG1-CE1 3.9Å; I409-F422 HydrophobicContact CG1-CZ 4.07Å; I409-F422 HydrophobicContact CG2-CD2 4.22Å; I409-F422 HydrophobicContact CG2-CE1 3.72Å; I409-F422 HydrophobicContact CG2-CE2 3.28Å; I409-F422 HydrophobicContact CG2-CZ 3Å; I409-F422 WeakPolarHBondContact O-CD2 3.38Å; I409-F422 WeakPolarHBondContact O-CE2 3.48Å; I409-M426 HydrophobicContact CD1-CE 3.52Å; I409-V433 HydrophobicContact CD1-CB 4.23Å; I409-V433 HydrophobicContact CD1-CG1 4.03Å; I409-V433 VanDerWaalsContact CG1-O 3.31Å; I409-V433 WeakPolarHBondContact CG1-O 3.47Å; I409-G435 VanDerWaalsContact CA-O 3.27Å; I409-G435 WeakPolarHBondContact CA-O 3.34Å; I409-V437 HydrophobicContact CG2-CG2 3.96Å
410	K	91.7	Very high	87	Confident	47 Å²	47	48.3 Å²	48.3	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	-174.9	-64.5	-177.4	-173.2	171.2	0	110	F362 Y412 F417 D420 G435 V437	F362-K410 HydrophobicContact CE2-CB 4.4Å; F362-K410 HydrophobicContact CE2-CD 3.76Å; F362-K410 HydrophobicContact CE2-CG 4.34Å; F362-K410 HydrophobicContact CZ-CB 4.09Å; F362-K410 HydrophobicContact CZ-CD 3.73Å; F362-K410 HydrophobicContact CZ-CG 3.9Å; K410-Y412 HydrophobicContact CB-CD2 4.43Å; K410-Y412 HydrophobicContact CB-CE2 3.47Å; K410-Y412 VanDerWaalsContact CB-CE2 3.47Å; K410-Y412 WeakPolarHBondContact CB-OH 3.35Å; K410-Y412 WeakPolarHBondContact CD-OH 3.49Å; K410-Y412 WeakPolarHBondContact O-CD2 3.27Å; K410-Y412 WeakPolarHBondContact O-CE2 3.34Å; K410-F417 HydrophobicContact CB-CD2 4.12Å; K410-F417 HydrophobicContact CB-CE2 3.86Å; K410-F417 HydrophobicContact CD-CD2 4.44Å; K410-F417 HydrophobicContact CD-CE2 4.09Å; K410-F417 HydrophobicContact CG-CE2 3.92Å; K410-D420 HydrophobicContact CG-CB 4.43Å; K410-G435 PolarHBondContact N-O 3Å; K410-G435 VanDerWaalsContact N-O 3.09Å; K410-V437 PolarHBondContact O-N 2.93Å
411	L	91.9	Very high	86.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126	175.8	-179.7	65.5	0	0	0	109.9	I418 T419 M425 V437 L442 L451	L411-I418 PolarHBondContact O-N 2.89Å; L411-T419 HydrophobicContact CB-CG2 4.17Å; L411-T419 WeakPolarHBondContact CB-O 3.28Å; L411-T419 HydrophobicContact CD2-CG2 4.1Å; L411-T419 PolarHBondContact N-O 3.09Å; L411-M425 HydrophobicContact CB-CE 4.13Å; L411-M425 HydrophobicContact CB-SD 4.3Å; L411-M425 HydrophobicContact CD2-CE 4.49Å; L411-M425 HydrophobicContact CD2-SD 4.24Å; L411-V437 CarbonylContact C-O 3.51Å; L411-V437 WeakPolarHBondContact CA-O 3.2Å; L411-V437 HydrophobicContact CD1-CB 4.01Å; L411-V437 HydrophobicContact CD1-CG1 3.82Å; L411-L442 HydrophobicContact CD1-CD1 4.03Å; L411-L442 HydrophobicContact CD2-CD1 4.5Å; L411-L451 HydrophobicContact CD2-CD1 4.1Å; L411-L451 HydrophobicContact CD2-CD2 4.16Å; L411-L451 HydrophobicContact CD2-CG 4.2Å
412	Y	92.2	Very high	86.1	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	145.9	173.5	-61	-92.9	0	0	0	109.6	Q273 F274 K410 V416 F417 V436 V437 D438 S439	Q273-Y412 PolarHBondContact NE2-OH 3.05Å; F274-Y412 AromaticContact CD2-CD1 3.97Å; F274-Y412 HydrophobicContact CD2-CD1 3.97Å; F274-Y412 AromaticContact CD2-CE1 3.5Å; F274-Y412 HydrophobicContact CD2-CE1 3.5Å; F274-Y412 HydrophobicContact CD2-CE2 4.31Å; F274-Y412 AromaticContact CD2-CZ 3.74Å; F274-Y412 AromaticContact CE2-CE1 3.84Å; F274-Y412 HydrophobicContact CE2-CE1 3.84Å; F274-Y412 HydrophobicContact CE2-CE2 4.05Å; F274-Y412 AromaticContact CE2-CZ 3.56Å; K410-Y412 HydrophobicContact CB-CD2 4.43Å; K410-Y412 HydrophobicContact CB-CE2 3.47Å; K410-Y412 VanDerWaalsContact CB-CE2 3.47Å; K410-Y412 WeakPolarHBondContact CB-OH 3.35Å; K410-Y412 WeakPolarHBondContact CD-OH 3.49Å; K410-Y412 WeakPolarHBondContact O-CD2 3.27Å; K410-Y412 WeakPolarHBondContact O-CE2 3.34Å; Y412-V416 CarbonylContact C-O 3.51Å; Y412-V416 VanDerWaalsContact CA-O 3.22Å; Y412-V416 WeakPolarHBondContact CA-O 3.26Å; Y412-F417 HydrophobicContact CD1-CB 4.09Å; Y412-F417 HydrophobicContact CE1-CB 3.67Å; Y412-F417 HydrophobicContact CE1-CD2 4.07Å; Y412-F417 HydrophobicContact CE1-CG 4.36Å; Y412-F417 AromaticContact CZ-CD2 3.98Å; Y412-V436 HydrophobicContact CD2-CB 4.36Å; Y412-V436 HydrophobicContact CE2-CB 4.23Å; Y412-V436 HydrophobicContact CE2-CG1 3.91Å; Y412-V437 PolarHBondContact N-O 2.94Å; Y412-D438 WeakPolarHBondContact CB-OD1 2.98Å; Y412-D438 WeakPolarHBondContact O-CA 3.44Å; Y412-S439 PolarHBondContact O-N 3.48Å
413	V	90.9	Very high	85.7	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.6	165.1	174.2	0	0	0	0	107.6	R415 V416 I418 S439 L442 L444	V413-R415 PolarHBondContact O-N 3.07Å; V413-V416 PolarHBondContact N-O 3.02Å; V413-V416 WeakPolarHBondContact O-CB 3.27Å; V413-V416 PolarHBondContact O-N 3.18Å; V413-I418 HydrophobicContact CB-CD1 4.17Å; V413-I418 HydrophobicContact CB-CG1 3.91Å; V413-I418 HydrophobicContact CG2-CG1 3.83Å; V413-S439 CarbonylContact C-O 3.51Å; V413-S439 WeakPolarHBondContact CA-O 3.45Å; V413-S439 WeakPolarHBondContact CG1-O 3.42Å; V413-L442 HydrophobicContact CG2-CB 3.8Å; V413-L442 HydrophobicContact CG2-CD1 3.98Å; V413-L442 HydrophobicContact CG2-CG 4.45Å; V413-L444 HydrophobicContact CB-CD1 4.14Å; V413-L444 HydrophobicContact CB-CD2 4.23Å; V413-L444 HydrophobicContact CB-CG 4.45Å; V413-L444 HydrophobicContact CG1-CD1 3.97Å; V413-L444 HydrophobicContact CG1-CD2 4.46Å; V413-L444 HydrophobicContact CG1-CG 4.21Å; V413-L444 HydrophobicContact CG2-CD2 3.84Å; V413-L444 HydrophobicContact CG2-CG 4.47Å
414	R	88.5	Confident	85.4	Confident	72 Å²	72	44.2 Å²	44.2	27%	0.272	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	45.3	-172.3	-57.6	179.4	-175.5	-125.4	-11.8	111.5	S189 L191 I192 V416 D438 S439 D440	S189-R414 PolarHBondContact O-NH1 2.81Å; L191-R414 VanDerWaalsContact O-CD 3.28Å; L191-R414 WeakPolarHBondContact O-CD 3.22Å; L191-R414 PolarHBondContact O-NH1 3.11Å; I192-R414 HydrophobicContact CG1-CB 4.26Å; R414-V416 PolarHBondContact O-N 2.7Å; R414-V416 VanDerWaalsContact O-N 3.07Å; R414-D438 PolarHBondContact N-OD1 2.96Å; R414-S439 PolarHBondContact N-O 2.89Å; R414-D440 PolarHBondContact NE-O 3Å; R414-D440 PolarHBondContact NH2-O 2.91Å
415	R	90.4	Very high	85.3	Confident	31 Å²	31	39.2 Å²	39.2	12%	0.117	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	4.8	-178.6	-46	175.8	-168.7	162.5	10.2	115.7	E190 F274 N276 V413 D438	E190-R415 IonicContact OE1-CZ 3.36Å; E190-R415 VanDerWaalsContact OE1-CZ 3.28Å; E190-R415 IonicContact OE1-NH1 3.85Å; E190-R415 PolarHBondContact OE1-NH1 3.13Å; E190-R415 VanDerWaalsContact OE1-NH1 3.13Å; E190-R415 IonicContact OE1-NH2 2.93Å; E190-R415 PolarHBondContact OE1-NH2 3.49Å; F274-R415 HydrophobicContact CB-CB 4.06Å; F274-R415 WeakPolarHBondContact O-CB 3.28Å; F274-R415 WeakPolarHBondContact O-CD 3.45Å; N276-R415 PolarHBondContact OD1-NH1 3.1Å; V413-R415 PolarHBondContact O-N 3.07Å; R415-D438 PolarHBondContact N-OD1 2.82Å
416	V	89.3	Confident	86	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.03	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.5	174.3	-177.7	0	0	0	0	109.6	R102 I192 Y412 V413 R414 I418	R102-V416 HydrophobicContact CG-CG1 3.92Å; I192-V416 HydrophobicContact CD1-CG2 3.6Å; I192-V416 HydrophobicContact CG1-CG2 4.12Å; I192-V416 HydrophobicContact CG2-CG2 4.15Å; Y412-V416 CarbonylContact C-O 3.51Å; Y412-V416 VanDerWaalsContact CA-O 3.22Å; Y412-V416 WeakPolarHBondContact CA-O 3.26Å; V413-V416 PolarHBondContact N-O 3.02Å; V413-V416 WeakPolarHBondContact O-CB 3.27Å; V413-V416 PolarHBondContact O-N 3.18Å; R414-V416 PolarHBondContact O-N 2.7Å; R414-V416 VanDerWaalsContact O-N 3.07Å; V416-I418 PolarHBondContact O-N 2.96Å
417	F	91.2	Very high	86.5	Confident	10 Å²	10	32.7 Å²	32.7	4%	0.044	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	130.7	178.5	177.6	-108.5	0	0	0	111.2	K270 Y271 K410 Y412 D420	K270-F417 HydrophobicContact CG-CD1 4.41Å; K270-F417 HydrophobicContact CG-CE1 4.46Å; K270-F417 WeakPolarHBondContact O-CB 3.41Å; Y271-F417 HydrophobicContact CD1-CB 4.42Å; Y271-F417 AromaticContact CD1-CD1 3.82Å; Y271-F417 HydrophobicContact CD1-CD1 3.82Å; Y271-F417 AromaticContact CE1-CD1 3.89Å; Y271-F417 HydrophobicContact CE1-CD1 3.89Å; Y271-F417 HydrophobicContact CE1-CE1 4.42Å; Y271-F417 PolarHBondContact O-N 2.64Å; K410-F417 HydrophobicContact CB-CD2 4.12Å; K410-F417 HydrophobicContact CB-CE2 3.86Å; K410-F417 HydrophobicContact CD-CD2 4.44Å; K410-F417 HydrophobicContact CD-CE2 4.09Å; K410-F417 HydrophobicContact CG-CE2 3.92Å; Y412-F417 HydrophobicContact CD1-CB 4.09Å; Y412-F417 HydrophobicContact CE1-CB 3.67Å; Y412-F417 HydrophobicContact CE1-CD2 4.07Å; Y412-F417 HydrophobicContact CE1-CG 4.36Å; Y412-F417 AromaticContact CZ-CD2 3.98Å; F417-D420 HydrophobicContact CE2-CB 4.17Å; F417-D420 HydrophobicContact CZ-CB 3.92Å
418	I	89.9	Confident	86.9	Confident	9 Å²	9	32.5 Å²	32.5	5%	0.046	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-58.4	179.2	-56.2	-56.7	0	0	0	110.6	L411 V413 V416 L444 R448	L411-I418 PolarHBondContact O-N 2.89Å; V413-I418 HydrophobicContact CB-CD1 4.17Å; V413-I418 HydrophobicContact CB-CG1 3.91Å; V413-I418 HydrophobicContact CG2-CG1 3.83Å; V416-I418 PolarHBondContact O-N 2.96Å; I418-L444 HydrophobicContact CD1-CD1 3.76Å; I418-L444 HydrophobicContact CD1-CD2 3.89Å; I418-L444 HydrophobicContact CG1-CD2 4.03Å; I418-L444 HydrophobicContact CG2-CD2 4.11Å; I418-R448 WeakPolarHBondContact CD1-O 3.47Å
419	T	87.3	Confident	87.1	Confident	28 Å²	28	30.1 Å²	30.1	17%	0.172	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	152.5	-175.2	-169.6	0	0	0	0	111.8	L411 D421 M425	L411-T419 HydrophobicContact CB-CG2 4.17Å; L411-T419 WeakPolarHBondContact CB-O 3.28Å; L411-T419 HydrophobicContact CD2-CG2 4.1Å; L411-T419 PolarHBondContact N-O 3.09Å; T419-D421 WeakPolarHBondContact OG1-CB 3.35Å; T419-D421 PolarHBondContact OG1-N 2.86Å; T419-M425 HydrophobicContact CG2-CE 4.24Å
420	D	84.6	Confident	87.3	Confident	63 Å²	63	30.1 Å²	30.1	34%	0.337	15%	0.145	S	C	.	.			trans	-110.9	6.7	168	52.7	14.8	0	0	0	111.6	D407 K410 F417 F422	D407-D420 HydrophobicContact CB-CB 4.24Å; K410-D420 HydrophobicContact CG-CB 4.43Å; F417-D420 HydrophobicContact CE2-CB 4.17Å; F417-D420 HydrophobicContact CZ-CB 3.92Å; D420-F422 PolarHBondContact O-N 2.79Å
421	D	78.8	Confident	87.3	Confident	63 Å²	63	29.2 Å²	29.2	34%	0.337	14%	0.143	S	C	.	.			trans	-71.8	94.4	179.7	-162.9	-3.5	0	0	0	110.6	K405 T419 M425	K405-D421 VanDerWaalsContact NZ-CG 3.34Å; K405-D421 IonicContact NZ-OD1 3.81Å; K405-D421 PolarHBondContact NZ-OD1 3.11Å; K405-D421 IonicContact NZ-OD2 3.37Å; K405-D421 PolarHBondContact NZ-OD2 3.32Å; T419-D421 WeakPolarHBondContact OG1-CB 3.35Å; T419-D421 PolarHBondContact OG1-N 2.86Å; D421-M425 WeakPolarHBondContact O-CE 3.31Å
422	F	71.8	Confident	87.4	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.018	14%	0.143	C	C	.	.			trans	-95.5	-0.5	-164	-124.7	-100.7	0	0	0	115.6	I409 D420 D424 M425 M426 L464	I409-F422 HydrophobicContact CB-CD1 3.89Å; I409-F422 HydrophobicContact CB-CD2 3.72Å; I409-F422 HydrophobicContact CB-CE1 3.46Å; I409-F422 VanDerWaalsContact CB-CE1 3.46Å; I409-F422 HydrophobicContact CB-CE2 3.28Å; I409-F422 HydrophobicContact CB-CG 4.05Å; I409-F422 HydrophobicContact CB-CZ 3.18Å; I409-F422 HydrophobicContact CD1-CD1 3.82Å; I409-F422 HydrophobicContact CD1-CE1 3.25Å; I409-F422 HydrophobicContact CD1-CZ 3.81Å; I409-F422 HydrophobicContact CG1-CD1 4.31Å; I409-F422 HydrophobicContact CG1-CE1 3.9Å; I409-F422 HydrophobicContact CG1-CZ 4.07Å; I409-F422 HydrophobicContact CG2-CD2 4.22Å; I409-F422 HydrophobicContact CG2-CE1 3.72Å; I409-F422 HydrophobicContact CG2-CE2 3.28Å; I409-F422 HydrophobicContact CG2-CZ 3Å; I409-F422 WeakPolarHBondContact O-CD2 3.38Å; I409-F422 WeakPolarHBondContact O-CE2 3.48Å; D420-F422 PolarHBondContact O-N 2.79Å; F422-D424 PolarHBondContact O-N 2.79Å; F422-D424 VanDerWaalsContact O-N 3.12Å; F422-M425 HydrophobicContact CD1-CB 3.86Å; F422-M425 HydrophobicContact CD2-CB 4.23Å; F422-M425 HydrophobicContact CD2-CE 3.39Å; F422-M425 HydrophobicContact CD2-SD 4.38Å; F422-M425 HydrophobicContact CE1-CB 3.47Å; F422-M425 VanDerWaalsContact CE1-CB 3.47Å; F422-M425 HydrophobicContact CE2-CB 3.87Å; F422-M425 HydrophobicContact CE2-CE 3.2Å; F422-M425 HydrophobicContact CE2-CG 4.37Å; F422-M425 HydrophobicContact CE2-SD 3.67Å; F422-M425 HydrophobicContact CG-CB 4.18Å; F422-M425 HydrophobicContact CG-CE 4.3Å; F422-M425 HydrophobicContact CZ-CB 3.43Å; F422-M425 VanDerWaalsContact CZ-CB 3.43Å; F422-M425 HydrophobicContact CZ-CE 4Å; F422-M425 HydrophobicContact CZ-CG 4.27Å; F422-M425 HydrophobicContact CZ-SD 3.9Å; F422-M425 PolarHBondContact O-N 3.39Å; F422-M425 VanDerWaalsContact O-N 3.08Å; F422-M426 HydrophobicContact CD1-CB 3.45Å; F422-M426 VanDerWaalsContact CD1-CB 3.45Å; F422-M426 HydrophobicContact CE1-CB 3.62Å; F422-M426 HydrophobicContact CE1-CE 4.32Å; F422-M426 PolarHBondContact O-N 3.09Å; F422-M426 VanDerWaalsContact O-N 3.09Å; F422-L464 HydrophobicContact CE1-CD1 4.28Å; F422-L464 HydrophobicContact CZ-CD1 4.11Å
423	H	72.9	Confident	87.6	Confident	110 Å²	110	29.3 Å²	29.3	51%	0.509	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-32.2	-176.4	-177.5	-87.8	0	0	0	112.8
424	D	74	Confident	87.9	Confident	57 Å²	57	29.3 Å²	29.3	31%	0.305	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-14.6	-179.9	-72.6	-53.6	0	0	0	114.7	F422 H454 L457 R461	F422-D424 PolarHBondContact O-N 2.79Å; F422-D424 VanDerWaalsContact O-N 3.12Å; D424-H454 IonicContact OD2-CE1 3.65Å; D424-H454 PolarHBondContact OD2-CE1 2.67Å; D424-H454 IonicContact OD2-NE2 3.61Å; D424-L457 HydrophobicContact CB-CD1 4.31Å; D424-R461 WeakPolarHBondContact O-CD 3.21Å; D424-R461 PolarHBondContact O-NH1 3.34Å
425	M	80.5	Confident	88.2	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-25.6	-175.8	-71.6	-170.4	-82.3	0	0	113.9	L411 T419 D421 F422 L457 R461	L411-M425 HydrophobicContact CB-CE 4.13Å; L411-M425 HydrophobicContact CB-SD 4.3Å; L411-M425 HydrophobicContact CD2-CE 4.49Å; L411-M425 HydrophobicContact CD2-SD 4.24Å; T419-M425 HydrophobicContact CG2-CE 4.24Å; D421-M425 WeakPolarHBondContact O-CE 3.31Å; F422-M425 HydrophobicContact CD1-CB 3.86Å; F422-M425 HydrophobicContact CD2-CB 4.23Å; F422-M425 HydrophobicContact CD2-CE 3.39Å; F422-M425 HydrophobicContact CD2-SD 4.38Å; F422-M425 HydrophobicContact CE1-CB 3.47Å; F422-M425 VanDerWaalsContact CE1-CB 3.47Å; F422-M425 HydrophobicContact CE2-CB 3.87Å; F422-M425 HydrophobicContact CE2-CE 3.2Å; F422-M425 HydrophobicContact CE2-CG 4.37Å; F422-M425 HydrophobicContact CE2-SD 3.67Å; F422-M425 HydrophobicContact CG-CB 4.18Å; F422-M425 HydrophobicContact CG-CE 4.3Å; F422-M425 HydrophobicContact CZ-CB 3.43Å; F422-M425 VanDerWaalsContact CZ-CB 3.43Å; F422-M425 HydrophobicContact CZ-CE 4Å; F422-M425 HydrophobicContact CZ-CG 4.27Å; F422-M425 HydrophobicContact CZ-SD 3.9Å; F422-M425 PolarHBondContact O-N 3.39Å; F422-M425 VanDerWaalsContact O-N 3.08Å; M425-L457 HydrophobicContact CG-CD2 3.74Å; M425-L457 HydrophobicContact SD-CD2 3.93Å; M425-R461 VanDerWaalsContact O-CA 3.27Å; M425-R461 WeakPolarHBondContact O-CA 3.37Å; M425-R461 VanDerWaalsContact O-CB 3.28Å; M425-R461 WeakPolarHBondContact O-CB 3.36Å; M425-R461 VanDerWaalsContact O-CG 3.26Å; M425-R461 WeakPolarHBondContact O-CG 3.31Å
426	M	90.1	Very high	88.4	Confident	10 Å²	10	24.4 Å²	24.4	5%	0.049	12%	0.124	C	C	.	.	S	Bend	trans	-139.3	141	174.8	-161.4	64.9	73.1	0	0	110.5	I409 F422 L430 L464 V465	I409-M426 HydrophobicContact CD1-CE 3.52Å; F422-M426 HydrophobicContact CD1-CB 3.45Å; F422-M426 VanDerWaalsContact CD1-CB 3.45Å; F422-M426 HydrophobicContact CE1-CB 3.62Å; F422-M426 HydrophobicContact CE1-CE 4.32Å; F422-M426 PolarHBondContact O-N 3.09Å; F422-M426 VanDerWaalsContact O-N 3.09Å; M426-L430 HydrophobicContact CG-CB 3.52Å; M426-L430 HydrophobicContact CG-CD1 4.39Å; M426-L430 HydrophobicContact SD-CB 3.84Å; M426-L430 HydrophobicContact SD-CD1 3.62Å; M426-L430 HydrophobicContact SD-CG 4.39Å; M426-L464 HydrophobicContact CE-CB 3.78Å; M426-L464 HydrophobicContact CE-CD1 4.1Å; M426-V465 HydrophobicContact SD-CG2 3.95Å
427	P	92.7	Very high	88.7	Confident	28 Å²	28	24.1 Å²	24.1	18%	0.182	12%	0.123	C	C	.	.			trans	-68.2	155.3	173.4	30.6	-37.3	0	0	0	111.8	Y429 L430 V465	P427-Y429 VanDerWaalsContact C-N 3.27Å; P427-Y429 HydrophobicContact CB-CD1 3.59Å; P427-Y429 HydrophobicContact CB-CE1 3.39Å; P427-Y429 HydrophobicContact CG-CD1 3.75Å; P427-Y429 HydrophobicContact CG-CE1 3.21Å; P427-Y429 PolarHBondContact O-N 3.41Å; P427-L430 HydrophobicContact CG-CB 4.34Å; P427-L430 HydrophobicContact CG-CD1 3.96Å; P427-L430 HydrophobicContact CG-CG 4.2Å; P427-L430 PolarHBondContact O-N 3.17Å; P427-V465 HydrophobicContact CG-CG2 3.78Å
428	K	92.8	Very high	88.8	Confident	82 Å²	82	23.8 Å²	23.8	36%	0.357	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-55.7	-39	-175.4	-64.4	177.8	175	-172.2	0	113.1	Y401 G402 L430 N431	Y401-K428 HydrophobicContact CE1-CB 4.4Å; Y401-K428 HydrophobicContact CE2-CB 4.25Å; Y401-K428 WeakPolarHBondContact OH-CB 3.32Å; G402-K428 WeakPolarHBondContact O-CE 3.41Å; G402-K428 PolarHBondContact O-NZ 3.23Å; K428-L430 PolarHBondContact O-N 3.14Å; K428-L430 VanDerWaalsContact O-N 3.15Å; K428-N431 WeakPolarHBondContact O-CB 3.25Å; K428-N431 PolarHBondContact O-N 3.25Å; K428-N431 VanDerWaalsContact O-N 3.1Å; K428-N431 PolarHBondContact O-OD1 3Å
429	Y	95.3	Very high	88.9	Confident	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-65.1	-16.4	178.2	76	-91.8	0	0	0	114.3	Y401 P427 F432 N491 D499 L506	Y401-Y429 PolarHBondContact OH-N 3.49Å; P427-Y429 VanDerWaalsContact C-N 3.27Å; P427-Y429 HydrophobicContact CB-CD1 3.59Å; P427-Y429 HydrophobicContact CB-CE1 3.39Å; P427-Y429 HydrophobicContact CG-CD1 3.75Å; P427-Y429 HydrophobicContact CG-CE1 3.21Å; P427-Y429 PolarHBondContact O-N 3.41Å; Y429-F432 WeakPolarHBondContact O-CE1 3.3Å; Y429-N491 WeakPolarHBondContact CB-O 3.38Å; Y429-N491 VanDerWaalsContact O-CB 3.28Å; Y429-N491 WeakPolarHBondContact O-CB 3.4Å; Y429-N491 PolarHBondContact O-ND2 2.92Å; Y429-D499 HydrophobicContact CD1-CB 4.43Å; Y429-D499 HydrophobicContact CE1-CB 3.59Å; Y429-D499 PolarHBondContact OH-OD2 2.88Å; Y429-L506 HydrophobicContact CE2-CD1 4.18Å; Y429-L506 HydrophobicContact CE2-CD2 3.95Å
430	L	95.6	Very high	88.9	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-105.5	21.3	175.6	-65.8	176.9	0	0	0	112.5	M426 P427 K428 F432 V433 V465 T468 I472	M426-L430 HydrophobicContact CG-CB 3.52Å; M426-L430 HydrophobicContact CG-CD1 4.39Å; M426-L430 HydrophobicContact SD-CB 3.84Å; M426-L430 HydrophobicContact SD-CD1 3.62Å; M426-L430 HydrophobicContact SD-CG 4.39Å; P427-L430 HydrophobicContact CG-CB 4.34Å; P427-L430 HydrophobicContact CG-CD1 3.96Å; P427-L430 HydrophobicContact CG-CG 4.2Å; P427-L430 PolarHBondContact O-N 3.17Å; K428-L430 PolarHBondContact O-N 3.14Å; K428-L430 VanDerWaalsContact O-N 3.15Å; L430-F432 HydrophobicContact CD2-CE1 3.91Å; L430-F432 HydrophobicContact CD2-CZ 3.92Å; L430-F432 PolarHBondContact O-N 3.49Å; L430-V433 HydrophobicContact CB-CG2 4.12Å; L430-V433 HydrophobicContact CD2-CG2 4.41Å; L430-V433 WeakPolarHBondContact O-CG2 3.43Å; L430-V433 PolarHBondContact O-N 2.81Å; L430-V433 VanDerWaalsContact O-N 3.1Å; L430-V465 HydrophobicContact CD1-CG1 4.32Å; L430-V465 HydrophobicContact CD1-CG2 4.23Å; L430-T468 HydrophobicContact CD1-CG2 3.96Å; L430-T468 HydrophobicContact CD2-CG2 3.96Å; L430-I472 HydrophobicContact CD2-CD1 4.37Å
431	N	93.3	Very high	88.7	Confident	29 Å²	29	25.5 Å²	25.5	16%	0.155	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	1.5	179.9	71.1	-22.7	0	0	0	115.3	L397 Y408 K428 N491	L397-N431 WeakPolarHBondContact CD1-OD1 3.48Å; L397-N431 PolarHBondContact O-ND2 3.2Å; L397-N431 VanDerWaalsContact O-ND2 3.11Å; Y408-N431 WeakPolarHBondContact CD2-O 3.06Å; Y408-N431 VanDerWaalsContact CE2-O 3.3Å; Y408-N431 WeakPolarHBondContact CE2-O 3.4Å; K428-N431 WeakPolarHBondContact O-CB 3.25Å; K428-N431 PolarHBondContact O-N 3.25Å; K428-N431 VanDerWaalsContact O-N 3.1Å; K428-N431 PolarHBondContact O-OD1 3Å; N431-N491 PolarHBondContact OD1-ND2 2.75Å
432	F	94.6	Very high	89.1	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-15.6	172.9	63	-88.8	0	0	0	113.1	V389 P390 L397 Y429 L430 K434 I472 F484 F488 N491	V389-F432 HydrophobicContact CG1-CD2 4.47Å; V389-F432 HydrophobicContact CG1-CE2 4.13Å; V389-F432 HydrophobicContact CG2-CE2 4.49Å; P390-F432 VanDerWaalsContact CD-O 3.24Å; P390-F432 WeakPolarHBondContact CD-O 3.45Å; P390-F432 VanDerWaalsContact CG-O 3.31Å; P390-F432 WeakPolarHBondContact CG-O 3.44Å; L397-F432 HydrophobicContact CD1-CB 3.9Å; L397-F432 HydrophobicContact CD2-CB 4.2Å; Y429-F432 WeakPolarHBondContact O-CE1 3.3Å; L430-F432 HydrophobicContact CD2-CE1 3.91Å; L430-F432 HydrophobicContact CD2-CZ 3.92Å; L430-F432 PolarHBondContact O-N 3.49Å; F432-K434 PolarHBondContact O-N 3.44Å; F432-I472 HydrophobicContact CZ-CD1 4.34Å; F432-F484 HydrophobicContact CE2-CE2 4.32Å; F432-F484 HydrophobicContact CZ-CE2 4.5Å; F432-F484 HydrophobicContact CZ-CZ 4.39Å; F432-F488 HydrophobicContact CB-CD1 3.86Å; F432-F488 HydrophobicContact CB-CE1 3.53Å; F432-F488 HydrophobicContact CB-CZ 4.42Å; F432-F488 AromaticContact CD1-CD1 3.9Å; F432-F488 HydrophobicContact CD1-CD1 3.9Å; F432-F488 HydrophobicContact CD1-CE1 4.43Å; F432-F488 AromaticContact CD2-CD1 3.67Å; F432-F488 HydrophobicContact CD2-CD1 3.67Å; F432-F488 HydrophobicContact CD2-CD2 4.37Å; F432-F488 AromaticContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE2 4.37Å; F432-F488 HydrophobicContact CD2-CG 4.04Å; F432-F488 HydrophobicContact CD2-CZ 4.03Å; F432-F488 HydrophobicContact CE1-CB 4.45Å; F432-F488 HydrophobicContact CE1-CD1 4.36Å; F432-F488 HydrophobicContact CE2-CD1 4.16Å; F432-F488 HydrophobicContact CE2-CD2 4.35Å; F432-F488 HydrophobicContact CE2-CE1 4.49Å; F432-F488 HydrophobicContact CE2-CG 4.08Å; F432-F488 AromaticContact CG-CD1 3.53Å; F432-F488 HydrophobicContact CG-CD1 3.53Å; F432-F488 AromaticContact CG-CE1 3.62Å; F432-F488 HydrophobicContact CG-CE1 3.62Å; F432-F488 HydrophobicContact CG-CG 4.26Å; F432-F488 HydrophobicContact CG-CZ 4.42Å; F432-F488 HydrophobicContact CZ-CB 4.34Å; F432-F488 HydrophobicContact CZ-CD1 4.48Å; F432-F488 HydrophobicContact CZ-CG 4.33Å; F432-N491 HydrophobicContact CD1-CB 4.03Å; F432-N491 HydrophobicContact CE1-CB 3.73Å
433	V	96	Very high	89.8	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.012	13%	0.127	C	C	.	.			trans	-70.2	130.4	-177.4	-179.7	0	0	0	0	108.8	L387 Y408 I409 L430 T468	L387-V433 HydrophobicContact CB-CG1 4.07Å; L387-V433 HydrophobicContact CD2-CG1 4.38Å; Y408-V433 WeakPolarHBondContact CB-O 3.46Å; I409-V433 HydrophobicContact CD1-CB 4.23Å; I409-V433 HydrophobicContact CD1-CG1 4.03Å; I409-V433 VanDerWaalsContact CG1-O 3.31Å; I409-V433 WeakPolarHBondContact CG1-O 3.47Å; L430-V433 HydrophobicContact CB-CG2 4.12Å; L430-V433 HydrophobicContact CD2-CG2 4.41Å; L430-V433 WeakPolarHBondContact O-CG2 3.43Å; L430-V433 PolarHBondContact O-N 2.81Å; L430-V433 VanDerWaalsContact O-N 3.1Å; V433-T468 HydrophobicContact CG2-CG2 3.75Å
434	K	95.6	Very high	90.3	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.035	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	155.6	175.7	-51.7	-167.3	179	178.1	0	110.4	Y359 S363 E365 L387 F388 P390 Y408 F432	Y359-K434 HydrophobicContact CE2-CB 4.37Å; Y359-K434 HydrophobicContact CE2-CD 4.06Å; S363-K434 WeakPolarHBondContact OG-CD 3.46Å; E365-K434 VanDerWaalsContact CG-NZ 3.31Å; E365-K434 IonicContact OE1-NZ 2.87Å; E365-K434 PolarHBondContact OE1-NZ 3.43Å; L387-K434 CarbonylContact C-O 3.59Å; L387-K434 WeakPolarHBondContact CA-O 3.31Å; F388-K434 PolarHBondContact N-O 3.38Å; F388-K434 PolarHBondContact O-N 2.85Å; P390-K434 HydrophobicContact CG-CD 4.18Å; P390-K434 HydrophobicContact CG-CG 4.01Å; Y408-K434 HydrophobicContact CD1-CG 4.49Å; Y408-K434 HydrophobicContact CD2-CG 4.37Å; Y408-K434 HydrophobicContact CG-CG 4.01Å; Y408-K434 CarbonylContact O-C 3.58Å; Y408-K434 VanDerWaalsContact O-CA 3.28Å; Y408-K434 WeakPolarHBondContact O-CA 3.33Å; F432-K434 PolarHBondContact O-N 3.44Å
435	G	95.1	Very high	90.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-166.6	173.1	0	0	0	0	0	116.4	F362 I386 Y408 I409 K410	F362-G435 WeakPolarHBondContact CE1-O 3.35Å; F362-G435 WeakPolarHBondContact CZ-O 3.19Å; I386-G435 CarbonylContact O-C 3.58Å; I386-G435 WeakPolarHBondContact O-CA 3.3Å; Y408-G435 PolarHBondContact O-N 3.48Å; I409-G435 VanDerWaalsContact CA-O 3.27Å; I409-G435 WeakPolarHBondContact CA-O 3.34Å; K410-G435 PolarHBondContact N-O 3Å; K410-G435 VanDerWaalsContact N-O 3.09Å
436	V	94.9	Very high	91	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.4	-178.5	-63	0	0	0	0	110.5	W343 F358 F362 S385 I386 Y412	W343-V436 HydrophobicContact CD2-CG2 3.95Å; W343-V436 HydrophobicContact CE3-CG2 3.57Å; W343-V436 HydrophobicContact CG-CG2 4.49Å; W343-V436 HydrophobicContact CZ3-CG1 4.42Å; W343-V436 HydrophobicContact CZ3-CG2 3.92Å; F358-V436 HydrophobicContact CE1-CG1 4.42Å; F358-V436 HydrophobicContact CE1-CG2 4.47Å; F358-V436 HydrophobicContact CZ-CG1 4.02Å; F358-V436 HydrophobicContact CZ-CG2 4.42Å; F362-V436 HydrophobicContact CD2-CG1 3.96Å; F362-V436 HydrophobicContact CE1-CG1 4.22Å; F362-V436 HydrophobicContact CE2-CG1 3.37Å; F362-V436 HydrophobicContact CZ-CG1 3.53Å; S385-V436 VanDerWaalsContact CA-O 3.26Å; S385-V436 WeakPolarHBondContact CA-O 3.26Å; S385-V436 WeakPolarHBondContact CB-O 3.45Å; S385-V436 PolarHBondContact OG-O 3.16Å; I386-V436 HydrophobicContact CB-CG2 4.26Å; I386-V436 PolarHBondContact N-O 3.36Å; I386-V436 PolarHBondContact O-N 3.2Å; Y412-V436 HydrophobicContact CD2-CB 4.36Å; Y412-V436 HydrophobicContact CE2-CB 4.23Å; Y412-V436 HydrophobicContact CE2-CG1 3.91Å
437	V	95.1	Very high	90.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.2	171.2	-178.2	0	0	0	0	106.4	F383 I409 K410 L411 Y412 I460 L464	F383-V437 HydrophobicContact CB-CG1 4.41Å; F383-V437 HydrophobicContact CD2-CG1 3.73Å; F383-V437 HydrophobicContact CE2-CG1 4.18Å; F383-V437 HydrophobicContact CG-CG1 4.18Å; I409-V437 HydrophobicContact CG2-CG2 3.96Å; K410-V437 PolarHBondContact O-N 2.93Å; L411-V437 CarbonylContact C-O 3.51Å; L411-V437 WeakPolarHBondContact CA-O 3.2Å; L411-V437 HydrophobicContact CD1-CB 4.01Å; L411-V437 HydrophobicContact CD1-CG1 3.82Å; Y412-V437 PolarHBondContact N-O 2.94Å; V437-I460 HydrophobicContact CG1-CG2 4.34Å; V437-L464 HydrophobicContact CG2-CD1 3.95Å; V437-L464 HydrophobicContact CG2-CD2 4.01Å
438	D	94.1	Very high	90.1	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.6	-179.8	-171.8	29.5	0	0	0	110.2	W343 Q344 F383 K384 Y412 R414 R415	W343-D438 PolarHBondContact NE1-OD2 3.41Å; Q344-D438 PolarHBondContact NE2-OD2 2.66Å; F383-D438 CarbonylContact C-O 3.57Å; F383-D438 VanDerWaalsContact CA-O 3.31Å; F383-D438 WeakPolarHBondContact CA-O 3.45Å; F383-D438 VanDerWaalsContact CB-O 3.31Å; F383-D438 WeakPolarHBondContact CB-O 3.36Å; K384-D438 PolarHBondContact N-O 2.85Å; K384-D438 PolarHBondContact O-N 2.87Å; Y412-D438 WeakPolarHBondContact CB-OD1 2.98Å; Y412-D438 WeakPolarHBondContact O-CA 3.44Å; R414-D438 PolarHBondContact N-OD1 2.96Å; R415-D438 PolarHBondContact N-OD1 2.82Å
439	S	91.5	Very high	89.7	Confident	2 Å²	2	19.1 Å²	19.1	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	146.5	-178.4	173.5	0	0	0	0	110.8	T382 Y412 V413 R414 D441 L442	T382-S439 WeakPolarHBondContact O-CB 3.23Å; T382-S439 PolarHBondContact O-OG 3.26Å; Y412-S439 PolarHBondContact O-N 3.48Å; V413-S439 CarbonylContact C-O 3.51Å; V413-S439 WeakPolarHBondContact CA-O 3.45Å; V413-S439 WeakPolarHBondContact CG1-O 3.42Å; R414-S439 PolarHBondContact N-O 2.89Å; S439-D441 PolarHBondContact OG-N 3.43Å; S439-D441 PolarHBondContact OG-OD1 3.35Å; S439-L442 WeakPolarHBondContact OG-CG 3.38Å
440	D	86.9	Confident	89.1	Confident	52 Å²	52	22.7 Å²	22.7	28%	0.278	13%	0.127	S	C	.	.	S	Bend	trans	-95.8	-16	-179.8	-58.7	-41.8	0	0	0	112.7	R414	R414-D440 PolarHBondContact NE-O 3Å; R414-D440 PolarHBondContact NH2-O 2.91Å
441	D	81.6	Confident	88.4	Confident	83 Å²	83	23.6 Å²	23.6	44%	0.444	13%	0.131	S	C	.	.	S	Bend	trans	-119.2	4.9	-165.1	68.2	-3.2	0	0	0	114.9	T382 S439	T382-D441 PolarHBondContact OG1-OD1 3.29Å; T382-D441 PolarHBondContact OG1-OD2 3.44Å; S439-D441 PolarHBondContact OG-N 3.43Å; S439-D441 PolarHBondContact OG-OD1 3.35Å
442	L	87.2	Confident	87.9	Confident	9 Å²	9	29 Å²	29	5%	0.047	16%	0.155	C	C	.	.			trans	-70.4	128.4	-179.8	-76.3	176.8	0	0	0	112.4	V381 L411 V413 S439 L444 L451 L456 I460	V381-L442 HydrophobicContact CG1-CD2 3.81Å; L411-L442 HydrophobicContact CD1-CD1 4.03Å; L411-L442 HydrophobicContact CD2-CD1 4.5Å; V413-L442 HydrophobicContact CG2-CB 3.8Å; V413-L442 HydrophobicContact CG2-CD1 3.98Å; V413-L442 HydrophobicContact CG2-CG 4.45Å; S439-L442 WeakPolarHBondContact OG-CG 3.38Å; L442-L444 PolarHBondContact O-N 3.09Å; L442-L444 VanDerWaalsContact O-N 3.08Å; L442-L451 HydrophobicContact CB-CD2 4.13Å; L442-L451 HydrophobicContact CD1-CD1 4.14Å; L442-L451 HydrophobicContact CD1-CD2 4.25Å; L442-L451 HydrophobicContact CD2-CD1 4.36Å; L442-L456 HydrophobicContact CD2-CB 4.42Å; L442-L456 HydrophobicContact CD2-CD1 4Å; L442-I460 HydrophobicContact CD1-CD1 4.18Å; L442-I460 HydrophobicContact CD2-CD1 4.26Å
443	P	85.4	Confident	87.1	Confident	39 Å²	39	32.8 Å²	32.8	25%	0.253	17%	0.173	S	C	.	.			trans	-71.8	107.3	177.1	29.1	-33.7	0	0	0	110.2	Q452 Q453 L456	P443-Q452 HydrophobicContact CB-CB 4.4Å; P443-Q452 PolarHBondContact O-N 3.44Å; P443-Q453 HydrophobicContact CG-CB 4.34Å; P443-Q453 HydrophobicContact CG-CG 4.23Å; P443-L456 HydrophobicContact CG-CD1 3.74Å
444	L	85.1	Confident	86.2	Confident	17 Å²	17	38.4 Å²	38.4	9%	0.089	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-82.1	149.4	176.4	-63.6	-178.7	0	0	0	111.3	V413 I418 L442 R448 L451	V413-L444 HydrophobicContact CB-CD1 4.14Å; V413-L444 HydrophobicContact CB-CD2 4.23Å; V413-L444 HydrophobicContact CB-CG 4.45Å; V413-L444 HydrophobicContact CG1-CD1 3.97Å; V413-L444 HydrophobicContact CG1-CD2 4.46Å; V413-L444 HydrophobicContact CG1-CG 4.21Å; V413-L444 HydrophobicContact CG2-CD2 3.84Å; V413-L444 HydrophobicContact CG2-CG 4.47Å; I418-L444 HydrophobicContact CD1-CD1 3.76Å; I418-L444 HydrophobicContact CD1-CD2 3.89Å; I418-L444 HydrophobicContact CG1-CD2 4.03Å; I418-L444 HydrophobicContact CG2-CD2 4.11Å; L442-L444 PolarHBondContact O-N 3.09Å; L442-L444 VanDerWaalsContact O-N 3.08Å; L444-R448 HydrophobicContact CB-CG 4.47Å; L444-R448 HydrophobicContact CD1-CB 4.15Å; L444-R448 HydrophobicContact CD1-CG 4.02Å; L444-L451 HydrophobicContact CD2-CD2 3.62Å
445	N	84.8	Confident	85.7	Confident	36 Å²	36	43.9 Å²	43.9	19%	0.193	22%	0.223	C	C	.	.			trans	-69.2	169.1	163.7	76.7	-10.2	0	0	0	110.7	S447 R448 E449 T450	N445-S447 PolarHBondContact ND2-OG 3.04Å; N445-S447 PolarHBondContact O-N 2.91Å; N445-S447 PolarHBondContact OD1-N 3.14Å; N445-S447 PolarHBondContact OD1-OG 3.09Å; N445-R448 PolarHBondContact O-N 3.02Å; N445-R448 VanDerWaalsContact OD1-CA 3.3Å; N445-R448 WeakPolarHBondContact OD1-CA 3.44Å; N445-R448 PolarHBondContact OD1-N 2.99Å; N445-E449 PolarHBondContact OD1-N 3.09Å; N445-E449 VanDerWaalsContact OD1-N 3.14Å; N445-T450 WeakPolarHBondContact CB-O 3.36Å; N445-T450 PolarHBondContact N-O 2.96Å; N445-T450 PolarHBondContact ND2-OG1 2.72Å; N445-T450 PolarHBondContact OD1-N 2.76Å; N445-T450 PolarHBondContact OD1-O 2.85Å; N445-T450 VanDerWaalsContact OD1-O 3.06Å
446	V	82.7	Confident	85.3	Confident	62 Å²	62	44.5 Å²	44.5	38%	0.376	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-29	-179.1	-170.2	0	0	0	0	112	L93 V197 R448	L93-V446 HydrophobicContact CD1-CB 3.94Å; L93-V446 HydrophobicContact CD1-CG1 3.78Å; L93-V446 HydrophobicContact CD2-CG1 3.85Å; L93-V446 HydrophobicContact CG-CG1 4.27Å; V197-V446 HydrophobicContact CG2-CG1 3.97Å; V446-R448 VanDerWaalsContact C-N 3.25Å; V446-R448 PolarHBondContact O-N 3.18Å
447	S	81.6	Confident	84.8	Confident	10 Å²	10	45.4 Å²	45.4	7%	0.07	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.4	176	79.2	0	0	0	0	113.8	R102 N445 E449	R102-S447 PolarHBondContact NH2-O 3.02Å; N445-S447 PolarHBondContact ND2-OG 3.04Å; N445-S447 PolarHBondContact O-N 2.91Å; N445-S447 PolarHBondContact OD1-N 3.14Å; N445-S447 PolarHBondContact OD1-OG 3.09Å; S447-E449 PolarHBondContact O-N 3.3Å; S447-E449 WeakPolarHBondContact OG-CB 3.37Å; S447-E449 PolarHBondContact OG-N 2.81Å
448	R	83.4	Confident	84.4	Confident	22 Å²	22	51.4 Å²	51.4	8%	0.083	26%	0.257	C	S	.	.	S	Bend	trans	51.2	30.5	-169.8	-55.6	174.3	178.8	-109.5	8.8	113.7	R102 I192 F195 I418 L444 N445 V446	R102-R448 PolarHBondContact NH1-O 3.26Å; I192-R448 PolarHBondContact O-NH1 3.26Å; I192-R448 PolarHBondContact O-NH2 2.98Å; F195-R448 HydrophobicContact CE2-CG 4.41Å; I418-R448 WeakPolarHBondContact CD1-O 3.47Å; L444-R448 HydrophobicContact CB-CG 4.47Å; L444-R448 HydrophobicContact CD1-CB 4.15Å; L444-R448 HydrophobicContact CD1-CG 4.02Å; N445-R448 PolarHBondContact O-N 3.02Å; N445-R448 VanDerWaalsContact OD1-CA 3.3Å; N445-R448 WeakPolarHBondContact OD1-CA 3.44Å; N445-R448 PolarHBondContact OD1-N 2.99Å; V446-R448 VanDerWaalsContact C-N 3.25Å; V446-R448 PolarHBondContact O-N 3.18Å
449	E	83.7	Confident	84.3	Confident	26 Å²	26	53 Å²	53	12%	0.121	27%	0.266	C	S	.	.	S	Bend	trans	-108	-23.4	175.9	-63.9	-180	151.2	0	0	111.9	N96 N445 S447	N96-E449 PolarHBondContact ND2-OE1 3.45Å; N445-E449 PolarHBondContact OD1-N 3.09Å; N445-E449 VanDerWaalsContact OD1-N 3.14Å; S447-E449 PolarHBondContact O-N 3.3Å; S447-E449 WeakPolarHBondContact OG-CB 3.37Å; S447-E449 PolarHBondContact OG-N 2.81Å
450	T	83	Confident	84.3	Confident	77 Å²	77	52.9 Å²	52.9	47%	0.472	27%	0.266	S	S	.	.	S	Bend	trans	-136.1	157.7	177.5	69.3	0	0	0	0	111.2	N445	N445-T450 WeakPolarHBondContact CB-O 3.36Å; N445-T450 PolarHBondContact N-O 2.96Å; N445-T450 PolarHBondContact ND2-OG1 2.72Å; N445-T450 PolarHBondContact OD1-N 2.76Å; N445-T450 PolarHBondContact OD1-O 2.85Å; N445-T450 VanDerWaalsContact OD1-O 3.06Å
451	L	82	Confident	84.6	Confident	19 Å²	19	53.6 Å²	53.6	10%	0.099	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-76.3	142.1	173.8	-58.5	-171.3	0	0	0	110.6	L411 L442 L444 L457	L411-L451 HydrophobicContact CD2-CD1 4.1Å; L411-L451 HydrophobicContact CD2-CD2 4.16Å; L411-L451 HydrophobicContact CD2-CG 4.2Å; L442-L451 HydrophobicContact CB-CD2 4.13Å; L442-L451 HydrophobicContact CD1-CD1 4.14Å; L442-L451 HydrophobicContact CD1-CD2 4.25Å; L442-L451 HydrophobicContact CD2-CD1 4.36Å; L444-L451 HydrophobicContact CD2-CD2 3.62Å; L451-L457 HydrophobicContact CD1-CD2 3.4Å; L451-L457 VanDerWaalsContact CD1-CD2 3.4Å; L451-L457 HydrophobicContact CD1-CG 3.88Å; L451-L457 HydrophobicContact CG-CD2 4.33Å
452	Q	81.3	Confident	85.1	Confident	142 Å²	142	57 Å²	57	66%	0.664	28%	0.276	S	S	*	.	S	Bend	trans	-69.4	-35.8	177.5	-170.4	179.2	7.6	0	0	111.8	P443	P443-Q452 HydrophobicContact CB-CB 4.4Å; P443-Q452 PolarHBondContact O-N 3.44Å
453	Q	79.1	Confident	85.4	Confident	80 Å²	80	59 Å²	59	37%	0.374	28%	0.284	S	S	.	.			trans	-110.5	103.6	-177.3	-66.3	-170.5	6.2	0	0	112.2	P443 K455 L456	P443-Q453 HydrophobicContact CG-CB 4.34Å; P443-Q453 HydrophobicContact CG-CG 4.23Å; Q453-K455 HydrophobicContact CB-CG 4.31Å; Q453-K455 PolarHBondContact O-N 3.26Å; Q453-K455 VanDerWaalsContact O-N 3.17Å; Q453-L456 HydrophobicContact CB-CD1 4.14Å; Q453-L456 HydrophobicContact CB-CG 4.09Å; Q453-L456 PolarHBondContact O-N 2.91Å
454	H	77.1	Confident	85.9	Confident	120 Å²	120	57.1 Å²	57.1	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-65.1	-20.7	-179	-142.8	-75.7	0	0	0	114.3	D424 L456 L457	D424-H454 IonicContact OD2-CE1 3.65Å; D424-H454 PolarHBondContact OD2-CE1 2.67Å; D424-H454 IonicContact OD2-NE2 3.61Å; H454-L456 VanDerWaalsContact C-N 3.3Å; H454-L456 PolarHBondContact O-N 3.08Å; H454-L457 PolarHBondContact O-N 3.09Å
455	K	84.8	Confident	86.5	Confident	123 Å²	123	56.6 Å²	56.6	54%	0.535	27%	0.269	S	S	.	.	H	α-helix	trans	-64.3	-33.2	178.6	60.7	170.9	-178.3	165.6	0	112.9	Q453 L457 K458	Q453-K455 HydrophobicContact CB-CG 4.31Å; Q453-K455 PolarHBondContact O-N 3.26Å; Q453-K455 VanDerWaalsContact O-N 3.17Å; K455-L457 VanDerWaalsContact C-N 3.33Å; K455-L457 PolarHBondContact O-N 3.35Å; K455-K458 WeakPolarHBondContact O-CB 3.45Å; K455-K458 PolarHBondContact O-N 3.01Å
456	L	85.8	Confident	87	Confident	13 Å²	13	62.2 Å²	62.2	7%	0.068	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-35.1	-176.6	-58.1	-177.8	0	0	0	111.3	V381 L442 P443 Q453 H454 K458 V459 I460	V381-L456 HydrophobicContact CG2-CB 4.01Å; V381-L456 HydrophobicContact CG2-CD2 3.74Å; V381-L456 HydrophobicContact CG2-CG 4.29Å; L442-L456 HydrophobicContact CD2-CB 4.42Å; L442-L456 HydrophobicContact CD2-CD1 4Å; P443-L456 HydrophobicContact CG-CD1 3.74Å; Q453-L456 HydrophobicContact CB-CD1 4.14Å; Q453-L456 HydrophobicContact CB-CG 4.09Å; Q453-L456 PolarHBondContact O-N 2.91Å; H454-L456 VanDerWaalsContact C-N 3.3Å; H454-L456 PolarHBondContact O-N 3.08Å; L456-K458 PolarHBondContact O-N 3.12Å; L456-V459 WeakPolarHBondContact O-CB 3.45Å; L456-V459 PolarHBondContact O-N 2.76Å; L456-I460 WeakPolarHBondContact O-CG1 3.32Å; L456-I460 PolarHBondContact O-N 3.04Å
457	L	84.9	Confident	87.7	Confident	20 Å²	20	62.8 Å²	62.8	11%	0.105	29%	0.285	C	S	.	.	H	α-helix	trans	-57.1	-37.7	174.2	-66.6	176.3	0	0	0	112.2	D424 M425 L451 H454 K455 V459 I460 R461	D424-L457 HydrophobicContact CB-CD1 4.31Å; M425-L457 HydrophobicContact CG-CD2 3.74Å; M425-L457 HydrophobicContact SD-CD2 3.93Å; L451-L457 HydrophobicContact CD1-CD2 3.4Å; L451-L457 VanDerWaalsContact CD1-CD2 3.4Å; L451-L457 HydrophobicContact CD1-CG 3.88Å; L451-L457 HydrophobicContact CG-CD2 4.33Å; H454-L457 PolarHBondContact O-N 3.09Å; K455-L457 VanDerWaalsContact C-N 3.33Å; K455-L457 PolarHBondContact O-N 3.35Å; L457-V459 VanDerWaalsContact C-N 3.33Å; L457-V459 PolarHBondContact O-N 3.33Å; L457-I460 PolarHBondContact O-N 3.13Å; L457-R461 WeakPolarHBondContact O-CB 3.5Å; L457-R461 PolarHBondContact O-N 3.23Å
458	K	87.6	Confident	88.5	Confident	126 Å²	126	62.3 Å²	62.3	55%	0.548	28%	0.282	S	S	.	.	H	α-helix	trans	-67.6	-34.6	178.7	-136.1	176.9	-172.1	174.6	0	111.9	K455 L456 K462	K455-K458 WeakPolarHBondContact O-CB 3.45Å; K455-K458 PolarHBondContact O-N 3.01Å; L456-K458 PolarHBondContact O-N 3.12Å; K458-K462 WeakPolarHBondContact O-CG 3.43Å; K458-K462 PolarHBondContact O-N 2.71Å
459	V	90.3	Very high	89.2	Confident	34 Å²	34	61.3 Å²	61.3	21%	0.206	28%	0.278	C	S	.	.	H	α-helix	trans	-72.2	-45.4	176.1	179.9	0	0	0	0	110.3	V381 L456 L457 R461 K462 K463	V381-V459 HydrophobicContact CG2-CG1 4.44Å; L456-V459 WeakPolarHBondContact O-CB 3.45Å; L456-V459 PolarHBondContact O-N 2.76Å; L457-V459 VanDerWaalsContact C-N 3.33Å; L457-V459 PolarHBondContact O-N 3.33Å; V459-R461 PolarHBondContact O-N 2.84Å; V459-K462 PolarHBondContact O-N 2.79Å; V459-K463 PolarHBondContact O-N 2.78Å
460	I	91.7	Very high	89.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.1	-53.4	173.1	-66.5	169.3	0	0	0	109.3	V381 F383 V437 L442 L456 L457 K462 K463 L464	V381-I460 HydrophobicContact CG1-CD1 4.24Å; V381-I460 HydrophobicContact CG1-CG1 4.06Å; F383-I460 HydrophobicContact CD1-CG1 4.14Å; F383-I460 HydrophobicContact CE1-CB 4.26Å; F383-I460 HydrophobicContact CE1-CG1 3.86Å; F383-I460 HydrophobicContact CE1-CG2 4.21Å; F383-I460 HydrophobicContact CZ-CG2 4.08Å; V437-I460 HydrophobicContact CG1-CG2 4.34Å; L442-I460 HydrophobicContact CD1-CD1 4.18Å; L442-I460 HydrophobicContact CD2-CD1 4.26Å; L456-I460 WeakPolarHBondContact O-CG1 3.32Å; L456-I460 PolarHBondContact O-N 3.04Å; L457-I460 PolarHBondContact O-N 3.13Å; I460-K462 VanDerWaalsContact C-N 3.34Å; I460-K462 PolarHBondContact O-N 3.46Å; I460-K463 PolarHBondContact O-N 2.83Å; I460-L464 HydrophobicContact CG2-CD1 3.85Å; I460-L464 HydrophobicContact CG2-CD2 4.39Å; I460-L464 HydrophobicContact CG2-CG 3.88Å; I460-L464 WeakPolarHBondContact O-CG 3.22Å; I460-L464 PolarHBondContact O-N 2.93Å
461	R	92.6	Very high	90.5	Very high	68 Å²	68	58.6 Å²	58.6	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-51	-49.2	178.3	178.9	173.3	72.2	-149.8	18.9	112.9	D424 M425 L457 V459 K463 L464 V465	D424-R461 WeakPolarHBondContact O-CD 3.21Å; D424-R461 PolarHBondContact O-NH1 3.34Å; M425-R461 VanDerWaalsContact O-CA 3.27Å; M425-R461 WeakPolarHBondContact O-CA 3.37Å; M425-R461 VanDerWaalsContact O-CB 3.28Å; M425-R461 WeakPolarHBondContact O-CB 3.36Å; M425-R461 VanDerWaalsContact O-CG 3.26Å; M425-R461 WeakPolarHBondContact O-CG 3.31Å; L457-R461 WeakPolarHBondContact O-CB 3.5Å; L457-R461 PolarHBondContact O-N 3.23Å; V459-R461 PolarHBondContact O-N 2.84Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 3.49Å; R461-L464 PolarHBondContact O-N 3.27Å; R461-V465 HydrophobicContact CG-CG2 4.05Å; R461-V465 WeakPolarHBondContact O-CB 3.48Å; R461-V465 VanDerWaalsContact O-CG2 3.26Å; R461-V465 WeakPolarHBondContact O-CG2 3.47Å; R461-V465 PolarHBondContact O-N 3.49Å
462	K	92.9	Very high	91.2	Very high	155 Å²	155	57.7 Å²	57.7	67%	0.674	26%	0.256	S	S	*	.	H	α-helix	trans	-58.1	-41.8	179.3	-77.5	179.4	176.8	-176.7	0	112	K458 V459 I460 R466	K458-K462 WeakPolarHBondContact O-CG 3.43Å; K458-K462 PolarHBondContact O-N 2.71Å; V459-K462 PolarHBondContact O-N 2.79Å; I460-K462 VanDerWaalsContact C-N 3.34Å; I460-K462 PolarHBondContact O-N 3.46Å; K462-R466 WeakPolarHBondContact O-CB 3.46Å; K462-R466 PolarHBondContact O-N 2.67Å; K462-R466 VanDerWaalsContact O-N 3.16Å
463	K	94.8	Very high	92	Very high	49 Å²	49	56.9 Å²	56.9	21%	0.213	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-44.8	177.7	-68.2	-172.1	-177.1	178.2	0	111.5	A377 E378 V381 F383 V459 I460 R461 R466 K467	A377-K463 HydrophobicContact CB-CD 3.55Å; E378-K463 PolarHBondContact O-NZ 2.79Å; V381-K463 PolarHBondContact O-NZ 3.26Å; F383-K463 HydrophobicContact CE1-CB 4.41Å; F383-K463 HydrophobicContact CE1-CD 3.91Å; F383-K463 HydrophobicContact CZ-CB 3.97Å; F383-K463 HydrophobicContact CZ-CD 4.19Å; V459-K463 PolarHBondContact O-N 2.78Å; I460-K463 PolarHBondContact O-N 2.83Å; R461-K463 VanDerWaalsContact C-N 3.28Å; R461-K463 PolarHBondContact O-N 3.49Å; K463-R466 PolarHBondContact O-N 3.04Å; K463-K467 WeakPolarHBondContact O-CB 3.44Å; K463-K467 VanDerWaalsContact O-CG 3.31Å; K463-K467 WeakPolarHBondContact O-CG 3.36Å; K463-K467 PolarHBondContact O-N 3.33Å
464	L	95.6	Very high	92.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.9	-53.7	176.8	-61.8	-171.7	0	0	0	111	F375 F383 L387 F422 M426 V437 I460 R461 R466 K467 T468	F375-L464 HydrophobicContact CZ-CD2 3.8Å; F383-L464 HydrophobicContact CE2-CD2 3.7Å; F383-L464 HydrophobicContact CZ-CD2 3.98Å; L387-L464 HydrophobicContact CD1-CB 4.47Å; L387-L464 HydrophobicContact CD1-CD2 4.32Å; F422-L464 HydrophobicContact CE1-CD1 4.28Å; F422-L464 HydrophobicContact CZ-CD1 4.11Å; M426-L464 HydrophobicContact CE-CB 3.78Å; M426-L464 HydrophobicContact CE-CD1 4.1Å; V437-L464 HydrophobicContact CG2-CD1 3.95Å; V437-L464 HydrophobicContact CG2-CD2 4.01Å; I460-L464 HydrophobicContact CG2-CD1 3.85Å; I460-L464 HydrophobicContact CG2-CD2 4.39Å; I460-L464 HydrophobicContact CG2-CG 3.88Å; I460-L464 WeakPolarHBondContact O-CG 3.22Å; I460-L464 PolarHBondContact O-N 2.93Å; R461-L464 PolarHBondContact O-N 3.27Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 3.31Å; L464-K467 PolarHBondContact O-N 3.21Å; L464-K467 VanDerWaalsContact O-N 3.11Å; L464-T468 PolarHBondContact O-N 3.35Å; L464-T468 PolarHBondContact O-OG1 2.94Å
465	V	96.4	Very high	93.7	Very high	6 Å²	6	56.2 Å²	56.2	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-55.8	-47.3	179.5	172.6	0	0	0	0	111.1	M426 P427 L430 R461 K467 T468 L469 N502	M426-V465 HydrophobicContact SD-CG2 3.95Å; P427-V465 HydrophobicContact CG-CG2 3.78Å; L430-V465 HydrophobicContact CD1-CG1 4.32Å; L430-V465 HydrophobicContact CD1-CG2 4.23Å; R461-V465 HydrophobicContact CG-CG2 4.05Å; R461-V465 WeakPolarHBondContact O-CB 3.48Å; R461-V465 VanDerWaalsContact O-CG2 3.26Å; R461-V465 WeakPolarHBondContact O-CG2 3.47Å; R461-V465 PolarHBondContact O-N 3.49Å; V465-K467 VanDerWaalsContact C-N 3.35Å; V465-K467 PolarHBondContact O-N 3.06Å; V465-T468 PolarHBondContact O-N 3.37Å; V465-L469 HydrophobicContact CG1-CD1 4.14Å; V465-L469 HydrophobicContact CG1-CG 4.41Å; V465-L469 WeakPolarHBondContact O-CG 3.27Å; V465-L469 PolarHBondContact O-N 2.99Å; V465-N502 WeakPolarHBondContact CG1-ND2 3.33Å
466	R	96.1	Very high	94	Very high	154 Å²	154	53 Å²	53	58%	0.581	24%	0.242	S	C	*	.	H	α-helix	trans	-58.5	-47.1	178.4	-178.8	174.9	179	166.8	0.7	111.7	K462 K463 L464 L469 D470	K462-R466 WeakPolarHBondContact O-CB 3.46Å; K462-R466 PolarHBondContact O-N 2.67Å; K462-R466 VanDerWaalsContact O-N 3.16Å; K463-R466 PolarHBondContact O-N 3.04Å; L464-R466 VanDerWaalsContact C-N 3.32Å; L464-R466 PolarHBondContact O-N 3.31Å; R466-L469 PolarHBondContact O-N 3.4Å; R466-D470 WeakPolarHBondContact O-CB 3.49Å; R466-D470 VanDerWaalsContact O-CG 3.28Å; R466-D470 PolarHBondContact O-N 2.91Å
467	K	97.2	Very high	94.3	Very high	75 Å²	75	57.2 Å²	57.2	33%	0.326	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-36.4	-179.7	-69.9	-68.5	-174.5	-179.8	0	112.3	I373 F375 K463 L464 V465 D470 M471	I373-K467 HydrophobicContact CD1-CB 4.22Å; I373-K467 HydrophobicContact CD1-CD 4.17Å; I373-K467 WeakPolarHBondContact CD1-O 3.12Å; F375-K467 HydrophobicContact CB-CD 4.41Å; F375-K467 HydrophobicContact CD1-CB 4.01Å; F375-K467 HydrophobicContact CD1-CD 4.26Å; F375-K467 HydrophobicContact CD1-CG 3.95Å; F375-K467 HydrophobicContact CD2-CD 4.21Å; F375-K467 HydrophobicContact CD2-CG 3.85Å; F375-K467 HydrophobicContact CE1-CB 3.66Å; F375-K467 HydrophobicContact CE1-CG 3.86Å; F375-K467 HydrophobicContact CE2-CB 4.38Å; F375-K467 HydrophobicContact CE2-CG 3.76Å; F375-K467 HydrophobicContact CG-CD 4.02Å; F375-K467 HydrophobicContact CG-CG 3.93Å; F375-K467 HydrophobicContact CZ-CB 3.86Å; F375-K467 HydrophobicContact CZ-CG 3.76Å; K463-K467 WeakPolarHBondContact O-CB 3.44Å; K463-K467 VanDerWaalsContact O-CG 3.31Å; K463-K467 WeakPolarHBondContact O-CG 3.36Å; K463-K467 PolarHBondContact O-N 3.33Å; L464-K467 PolarHBondContact O-N 3.21Å; L464-K467 VanDerWaalsContact O-N 3.11Å; V465-K467 VanDerWaalsContact C-N 3.35Å; V465-K467 PolarHBondContact O-N 3.06Å; K467-D470 PolarHBondContact O-N 3.2Å; K467-M471 WeakPolarHBondContact O-CB 3.17Å; K467-M471 PolarHBondContact O-N 3.31Å
468	T	97.8	Very high	94.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-47.9	172.3	-59.9	0	0	0	0	111.4	L387 L430 V433 L464 V465 D470 M471 I472	L387-T468 WeakPolarHBondContact CD1-OG1 3.15Å; L430-T468 HydrophobicContact CD1-CG2 3.96Å; L430-T468 HydrophobicContact CD2-CG2 3.96Å; V433-T468 HydrophobicContact CG2-CG2 3.75Å; L464-T468 PolarHBondContact O-N 3.35Å; L464-T468 PolarHBondContact O-OG1 2.94Å; V465-T468 PolarHBondContact O-N 3.37Å; T468-D470 VanDerWaalsContact C-N 3.33Å; T468-D470 PolarHBondContact O-N 3.04Å; T468-M471 HydrophobicContact CG2-CE 4.2Å; T468-M471 WeakPolarHBondContact O-CB 3.34Å; T468-M471 PolarHBondContact O-N 3.43Å; T468-I472 HydrophobicContact CG2-CD1 3.82Å; T468-I472 HydrophobicContact CG2-CG1 4.45Å; T468-I472 VanDerWaalsContact O-CG1 3.3Å; T468-I472 WeakPolarHBondContact O-CG1 3.48Å; T468-I472 PolarHBondContact O-N 3.45Å
469	L	97.7	Very high	94.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-34	178.6	-61.9	-178.8	0	0	0	112.3	V465 R466 I472 K473 N502 R505 L506 L509	V465-L469 HydrophobicContact CG1-CD1 4.14Å; V465-L469 HydrophobicContact CG1-CG 4.41Å; V465-L469 WeakPolarHBondContact O-CG 3.27Å; V465-L469 PolarHBondContact O-N 2.99Å; R466-L469 PolarHBondContact O-N 3.4Å; L469-I472 HydrophobicContact CD2-CD1 4.47Å; L469-K473 VanDerWaalsContact O-CB 3.29Å; L469-K473 WeakPolarHBondContact O-CB 3.33Å; L469-K473 PolarHBondContact O-N 2.97Å; L469-N502 HydrophobicContact CD1-CB 3.81Å; L469-R505 HydrophobicContact CB-CG 4.35Å; L469-R505 HydrophobicContact CD1-CG 4.16Å; L469-L506 HydrophobicContact CD1-CD2 4.37Å; L469-L506 HydrophobicContact CD1-CG 4.35Å; L469-L506 HydrophobicContact CD2-CD2 3.58Å; L469-L506 HydrophobicContact CD2-CG 4.42Å; L469-L509 HydrophobicContact CD2-CD1 4.31Å
470	D	97.1	Very high	95.2	Very high	38 Å²	38	58.3 Å²	58.3	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-40	171.3	-73	-23.1	0	0	0	111.6	R466 K467 T468 K474 R505	R466-D470 WeakPolarHBondContact O-CB 3.49Å; R466-D470 VanDerWaalsContact O-CG 3.28Å; R466-D470 PolarHBondContact O-N 2.91Å; K467-D470 PolarHBondContact O-N 3.2Å; T468-D470 VanDerWaalsContact C-N 3.33Å; T468-D470 PolarHBondContact O-N 3.04Å; D470-K474 VanDerWaalsContact O-CG 3.3Å; D470-K474 WeakPolarHBondContact O-CG 3.5Å; D470-K474 PolarHBondContact O-N 3.23Å; D470-R505 IonicContact OD1-CZ 3.67Å; D470-R505 IonicContact OD1-NH1 3.63Å; D470-R505 PolarHBondContact OD1-NH1 3.45Å; D470-R505 IonicContact OD1-NH2 3.22Å
471	M	97.6	Very high	95.3	Very high	7 Å²	7	59.8 Å²	59.8	3%	0.034	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-50.4	175.1	175.9	-178.3	55.9	0	0	111.1	A371 I373 L387 V389 K467 T468 K473 K474 I475	A371-M471 HydrophobicContact CB-CG 4.18Å; A371-M471 HydrophobicContact CB-SD 4.37Å; I373-M471 HydrophobicContact CB-CB 3.97Å; I373-M471 HydrophobicContact CB-CG 4.06Å; I373-M471 HydrophobicContact CB-SD 3.85Å; I373-M471 HydrophobicContact CD1-CB 4.14Å; I373-M471 HydrophobicContact CG2-CB 3.96Å; I373-M471 HydrophobicContact CG2-CE 4.24Å; I373-M471 HydrophobicContact CG2-CG 4.2Å; I373-M471 HydrophobicContact CG2-SD 3.59Å; I373-M471 VanDerWaalsContact CG2-SD 3.59Å; L387-M471 HydrophobicContact CB-CE 4.48Å; V389-M471 HydrophobicContact CG2-CE 3.35Å; V389-M471 HydrophobicContact CG2-SD 4.08Å; K467-M471 WeakPolarHBondContact O-CB 3.17Å; K467-M471 PolarHBondContact O-N 3.31Å; T468-M471 HydrophobicContact CG2-CE 4.2Å; T468-M471 WeakPolarHBondContact O-CB 3.34Å; T468-M471 PolarHBondContact O-N 3.43Å; M471-K473 VanDerWaalsContact C-N 3.29Å; M471-K473 PolarHBondContact O-N 2.86Å; M471-K474 PolarHBondContact O-N 3.02Å; M471-I475 PolarHBondContact O-N 3.13Å
472	I	97.8	Very high	95.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-40.6	179.8	-66.3	166.4	0	0	0	110.8	V389 L430 F432 T468 L469 K474 I475 Y480 F484 I492 L509	V389-I472 HydrophobicContact CG2-CG1 4.44Å; L430-I472 HydrophobicContact CD2-CD1 4.37Å; F432-I472 HydrophobicContact CZ-CD1 4.34Å; T468-I472 HydrophobicContact CG2-CD1 3.82Å; T468-I472 HydrophobicContact CG2-CG1 4.45Å; T468-I472 VanDerWaalsContact O-CG1 3.3Å; T468-I472 WeakPolarHBondContact O-CG1 3.48Å; T468-I472 PolarHBondContact O-N 3.45Å; L469-I472 HydrophobicContact CD2-CD1 4.47Å; I472-K474 PolarHBondContact O-N 3.22Å; I472-I475 WeakPolarHBondContact O-CB 3.44Å; I472-I475 WeakPolarHBondContact O-CG1 3.41Å; I472-I475 PolarHBondContact O-N 3.31Å; I472-Y480 HydrophobicContact CG2-CE2 3.67Å; I472-F484 HydrophobicContact CB-CZ 4.43Å; I472-F484 HydrophobicContact CD1-CE2 4.38Å; I472-F484 HydrophobicContact CD1-CZ 3.94Å; I472-F484 HydrophobicContact CG1-CE2 4.09Å; I472-F484 HydrophobicContact CG1-CZ 3.98Å; I472-F484 HydrophobicContact CG2-CD1 4.39Å; I472-F484 HydrophobicContact CG2-CE1 3.69Å; I472-F484 HydrophobicContact CG2-CE2 4.15Å; I472-F484 HydrophobicContact CG2-CZ 3.55Å; I472-I492 HydrophobicContact CD1-CD1 4.43Å; I472-L509 HydrophobicContact CB-CD1 4.41Å; I472-L509 HydrophobicContact CG2-CD1 3.84Å; I472-L509 HydrophobicContact CG2-CD2 4.19Å
473	K	96.4	Very high	95.5	Very high	126 Å²	126	56.5 Å²	56.5	55%	0.548	28%	0.275	S	S	.	.	H	α-helix	trans	-64.2	-25.4	176.8	-176.6	178.3	174	67.9	0	113.6	L469 M471 L509	L469-K473 VanDerWaalsContact O-CB 3.29Å; L469-K473 WeakPolarHBondContact O-CB 3.33Å; L469-K473 PolarHBondContact O-N 2.97Å; M471-K473 VanDerWaalsContact C-N 3.29Å; M471-K473 PolarHBondContact O-N 2.86Å; K473-L509 HydrophobicContact CB-CD2 4.29Å
474	K	96.4	Very high	95.7	Very high	169 Å²	169	54.1 Å²	54.1	74%	0.735	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.5	-179.8	-75.1	175.3	179.9	-172.6	0	113.6	D470 M471 I472 A476	D470-K474 VanDerWaalsContact O-CG 3.3Å; D470-K474 WeakPolarHBondContact O-CG 3.5Å; D470-K474 PolarHBondContact O-N 3.23Å; M471-K474 PolarHBondContact O-N 3.02Å; I472-K474 PolarHBondContact O-N 3.22Å; K474-A476 PolarHBondContact O-N 2.8Å
475	I	95.4	Very high	95.8	Very high	16 Å²	16	55 Å²	55	8%	0.082	27%	0.269	C	S	.	.	S	Bend	trans	-62.7	132	172.5	-59.1	175.1	0	0	0	107.6	M370 A371 M471 I472 K479 Y480 F484	M370-I475 HydrophobicContact SD-CD1 4.43Å; A371-I475 HydrophobicContact CB-CD1 4.17Å; A371-I475 HydrophobicContact CB-CG1 4.07Å; M471-I475 PolarHBondContact O-N 3.13Å; I472-I475 WeakPolarHBondContact O-CB 3.44Å; I472-I475 WeakPolarHBondContact O-CG1 3.41Å; I472-I475 PolarHBondContact O-N 3.31Å; I475-K479 HydrophobicContact CG2-CB 4.06Å; I475-K479 HydrophobicContact CG2-CD 4.41Å; I475-K479 HydrophobicContact CG2-CG 4.21Å; I475-Y480 HydrophobicContact CB-CD2 4.22Å; I475-Y480 HydrophobicContact CG2-CD2 4.39Å; I475-F484 HydrophobicContact CD1-CB 4.46Å; I475-F484 HydrophobicContact CD1-CD2 3.79Å; I475-F484 HydrophobicContact CD1-CE2 4.33Å; I475-F484 HydrophobicContact CD1-CG 4.16Å
476	A	92.6	Very high	95.8	Very high	55 Å²	55	61.8 Å²	61.8	46%	0.455	30%	0.297	S	S	.	.			trans	-58.7	144.3	179	0	0	0	0	0	111	K474 D478 K479 Y480	K474-A476 PolarHBondContact O-N 2.8Å; A476-D478 VanDerWaalsContact C-N 3.29Å; A476-D478 WeakPolarHBondContact CB-OD1 3.38Å; A476-D478 PolarHBondContact O-N 2.81Å; A476-K479 PolarHBondContact O-N 2.88Å; A476-Y480 VanDerWaalsContact O-CB 3.28Å; A476-Y480 WeakPolarHBondContact O-CB 3.48Å; A476-Y480 PolarHBondContact O-N 3.05Å
477	D	91.2	Very high	95.8	Very high	103 Å²	103	57.8 Å²	57.8	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-60.3	-36.1	-169.5	-74.7	-41.7	0	0	0	113.6	N481 R511	D477-N481 WeakPolarHBondContact O-CB 3.38Å; D477-N481 PolarHBondContact O-N 3.28Å; D477-N481 PolarHBondContact O-OD1 3.49Å; D477-R511 IonicContact OD1-NH2 2.78Å
478	D	89.9	Confident	95.8	Very high	108 Å²	108	54.2 Å²	54.2	58%	0.578	27%	0.27	S	S	*	.	H	α-helix	trans	-62.7	-55.1	174.3	60.8	-33.7	0	0	0	110.8	A476 Y480 N481 D482	A476-D478 VanDerWaalsContact C-N 3.29Å; A476-D478 WeakPolarHBondContact CB-OD1 3.38Å; A476-D478 PolarHBondContact O-N 2.81Å; D478-Y480 VanDerWaalsContact C-N 3.26Å; D478-Y480 PolarHBondContact O-N 3.45Å; D478-N481 PolarHBondContact O-N 3.23Å; D478-D482 WeakPolarHBondContact O-CB 3.25Å; D478-D482 PolarHBondContact O-N 2.91Å
479	K	94.4	Very high	95.8	Very high	92 Å²	92	54.3 Å²	54.3	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-37.4	177.6	-167.5	175.9	-171.1	-175	0	111.3	M370 I475 A476 T483 F484	M370-K479 PolarHBondContact O-NZ 3.18Å; I475-K479 HydrophobicContact CG2-CB 4.06Å; I475-K479 HydrophobicContact CG2-CD 4.41Å; I475-K479 HydrophobicContact CG2-CG 4.21Å; A476-K479 PolarHBondContact O-N 2.88Å; K479-T483 WeakPolarHBondContact CG-OG1 3.42Å; K479-T483 PolarHBondContact O-N 3.39Å; K479-T483 PolarHBondContact O-OG1 3.03Å; K479-F484 PolarHBondContact O-N 3.29Å
480	Y	96.8	Very high	95.8	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.012	28%	0.284	C	S	.	.	I	π-helix	trans	-61.5	-50.3	178.7	-172.5	-88.2	0	0	0	111.1	I472 I475 A476 D478 F484 W485 L509 R511	I472-Y480 HydrophobicContact CG2-CE2 3.67Å; I475-Y480 HydrophobicContact CB-CD2 4.22Å; I475-Y480 HydrophobicContact CG2-CD2 4.39Å; A476-Y480 VanDerWaalsContact O-CB 3.28Å; A476-Y480 WeakPolarHBondContact O-CB 3.48Å; A476-Y480 PolarHBondContact O-N 3.05Å; D478-Y480 VanDerWaalsContact C-N 3.26Å; D478-Y480 PolarHBondContact O-N 3.45Å; Y480-F484 HydrophobicContact CD2-CB 4.22Å; Y480-F484 AromaticContact CD2-CD1 3.76Å; Y480-F484 HydrophobicContact CD2-CD1 3.76Å; Y480-F484 HydrophobicContact CD2-CE1 4.49Å; Y480-F484 HydrophobicContact CD2-CG 4.14Å; Y480-F484 HydrophobicContact CE1-CD1 4.38Å; Y480-F484 AromaticContact CE2-CD1 3.22Å; Y480-F484 HydrophobicContact CE2-CD1 3.22Å; Y480-F484 AromaticContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CG 4.02Å; Y480-F484 AromaticContact CZ-CD1 3.57Å; Y480-F484 AromaticContact CZ-CE1 3.85Å; Y480-F484 WeakPolarHBondContact O-CB 3.43Å; Y480-F484 PolarHBondContact O-N 3.27Å; Y480-W485 HydrophobicContact CE1-CB 4.48Å; Y480-W485 AromaticContact CE1-CE3 3.88Å; Y480-W485 HydrophobicContact CE1-CE3 3.88Å; Y480-W485 WeakPolarHBondContact O-CB 3.29Å; Y480-W485 PolarHBondContact O-N 3.32Å; Y480-L509 WeakPolarHBondContact CE1-O 3.05Å; Y480-L509 HydrophobicContact CE2-CD2 4.34Å; Y480-L509 WeakPolarHBondContact OH-CB 3.42Å; Y480-L509 PolarHBondContact OH-O 3.27Å; Y480-R511 HydrophobicContact CD1-CG 4.14Å; Y480-R511 HydrophobicContact CE1-CG 3.73Å
481	N	95.1	Very high	95.8	Very high	30 Å²	30	54.6 Å²	54.6	16%	0.16	27%	0.274	C	S	.	.	I	π-helix	trans	-72	-42.8	-176.8	-68.9	-7.6	0	0	0	111.9	D477 D478 R511 I521	D477-N481 WeakPolarHBondContact O-CB 3.38Å; D477-N481 PolarHBondContact O-N 3.28Å; D477-N481 PolarHBondContact O-OD1 3.49Å; D478-N481 PolarHBondContact O-N 3.23Å; N481-R511 WeakPolarHBondContact OD1-CD 3.31Å; N481-R511 PolarHBondContact OD1-NE 3.48Å; N481-I521 HydrophobicContact CB-CD1 3.82Å; N481-I521 HydrophobicContact CB-CG1 4.03Å
482	D	93.8	Very high	95.9	Very high	100 Å²	100	54.3 Å²	54.3	54%	0.535	27%	0.273	S	S	.	.	I	π-helix	trans	-83.6	-23.1	-170.5	-71.4	-28.8	0	0	0	114.2	D478 K486	D478-D482 WeakPolarHBondContact O-CB 3.25Å; D478-D482 PolarHBondContact O-N 2.91Å; D482-K486 VanDerWaalsContact O-CD 3.25Å; D482-K486 WeakPolarHBondContact O-CD 3.31Å; D482-K486 WeakPolarHBondContact O-CE 3.28Å; D482-K486 PolarHBondContact O-NZ 3.04Å
483	T	95.6	Very high	95.9	Very high	54 Å²	54	54.4 Å²	54.4	33%	0.331	27%	0.273	S	S	.	.	I	π-helix	trans	-124.9	-66.4	-178	65	0	0	0	0	111.9	K479 W485 K486 E487	K479-T483 WeakPolarHBondContact CG-OG1 3.42Å; K479-T483 PolarHBondContact O-N 3.39Å; K479-T483 PolarHBondContact O-OG1 3.03Å; T483-W485 VanDerWaalsContact C-N 3.34Å; T483-W485 PolarHBondContact O-N 3.31Å; T483-K486 PolarHBondContact O-N 2.86Å; T483-K486 VanDerWaalsContact O-N 3.13Å; T483-E487 PolarHBondContact O-N 2.9Å
484	F	97.9	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	I	π-helix	trans	-54.1	-47.6	-173.3	-178.7	-92.3	0	0	0	113.1	M370 V389 F432 I472 I475 K479 Y480 K486 E487 F488 I492	M370-F484 HydrophobicContact CE-CB 4.32Å; M370-F484 HydrophobicContact SD-CB 3.52Å; M370-F484 VanDerWaalsContact SD-CB 3.52Å; M370-F484 HydrophobicContact SD-CD2 3.72Å; M370-F484 HydrophobicContact SD-CG 4.12Å; V389-F484 HydrophobicContact CG1-CD2 3.9Å; V389-F484 HydrophobicContact CG1-CE2 3.77Å; F432-F484 HydrophobicContact CE2-CE2 4.32Å; F432-F484 HydrophobicContact CZ-CE2 4.5Å; F432-F484 HydrophobicContact CZ-CZ 4.39Å; I472-F484 HydrophobicContact CB-CZ 4.43Å; I472-F484 HydrophobicContact CD1-CE2 4.38Å; I472-F484 HydrophobicContact CD1-CZ 3.94Å; I472-F484 HydrophobicContact CG1-CE2 4.09Å; I472-F484 HydrophobicContact CG1-CZ 3.98Å; I472-F484 HydrophobicContact CG2-CD1 4.39Å; I472-F484 HydrophobicContact CG2-CE1 3.69Å; I472-F484 HydrophobicContact CG2-CE2 4.15Å; I472-F484 HydrophobicContact CG2-CZ 3.55Å; I475-F484 HydrophobicContact CD1-CB 4.46Å; I475-F484 HydrophobicContact CD1-CD2 3.79Å; I475-F484 HydrophobicContact CD1-CE2 4.33Å; I475-F484 HydrophobicContact CD1-CG 4.16Å; K479-F484 PolarHBondContact O-N 3.29Å; Y480-F484 HydrophobicContact CD2-CB 4.22Å; Y480-F484 AromaticContact CD2-CD1 3.76Å; Y480-F484 HydrophobicContact CD2-CD1 3.76Å; Y480-F484 HydrophobicContact CD2-CE1 4.49Å; Y480-F484 HydrophobicContact CD2-CG 4.14Å; Y480-F484 HydrophobicContact CE1-CD1 4.38Å; Y480-F484 AromaticContact CE2-CD1 3.22Å; Y480-F484 HydrophobicContact CE2-CD1 3.22Å; Y480-F484 AromaticContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CE1 3.6Å; Y480-F484 HydrophobicContact CE2-CG 4.02Å; Y480-F484 AromaticContact CZ-CD1 3.57Å; Y480-F484 AromaticContact CZ-CE1 3.85Å; Y480-F484 WeakPolarHBondContact O-CB 3.43Å; Y480-F484 PolarHBondContact O-N 3.27Å; F484-K486 VanDerWaalsContact C-N 3.3Å; F484-K486 PolarHBondContact O-N 3.36Å; F484-E487 PolarHBondContact O-N 3.36Å; F484-F488 AromaticContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CE1-CB 4.26Å; F484-F488 HydrophobicContact CE2-CB 4.11Å; F484-F488 AromaticContact CE2-CD2 3.73Å; F484-F488 HydrophobicContact CE2-CD2 3.73Å; F484-F488 HydrophobicContact CE2-CG 4.26Å; F484-F488 HydrophobicContact CG-CD2 4.47Å; F484-F488 HydrophobicContact CZ-CB 3.92Å; F484-F488 HydrophobicContact CZ-CD2 4.4Å; F484-F488 PolarHBondContact O-N 3.44Å; F484-I492 HydrophobicContact CE1-CD1 4.16Å; F484-I492 HydrophobicContact CE1-CG1 3.95Å; F484-I492 HydrophobicContact CZ-CD1 4.15Å; F484-I492 HydrophobicContact CZ-CG1 4.36Å
485	W	97.9	Very high	96	Very high	19 Å²	19	41.7 Å²	41.7	7%	0.072	22%	0.219	C	C	.	.	H	α-helix	trans	-66.8	-32.1	-175.4	-171.6	-102.2	0	0	0	112.9	Y480 T483 G489 I492 K493 L509 L510 R511 I521	Y480-W485 HydrophobicContact CE1-CB 4.48Å; Y480-W485 AromaticContact CE1-CE3 3.88Å; Y480-W485 HydrophobicContact CE1-CE3 3.88Å; Y480-W485 WeakPolarHBondContact O-CB 3.29Å; Y480-W485 PolarHBondContact O-N 3.32Å; T483-W485 VanDerWaalsContact C-N 3.34Å; T483-W485 PolarHBondContact O-N 3.31Å; W485-G489 WeakPolarHBondContact O-CA 3.42Å; W485-G489 PolarHBondContact O-N 3.35Å; W485-I492 HydrophobicContact CH2-CB 4.44Å; W485-I492 HydrophobicContact CZ3-CB 3.97Å; W485-I492 HydrophobicContact CZ3-CG1 4.25Å; W485-I492 HydrophobicContact CZ3-CG2 4.08Å; W485-K493 HydrophobicContact CH2-CG 4.36Å; W485-K493 VanDerWaalsContact CZ2-CE 3.43Å; W485-L509 VanDerWaalsContact CZ3-O 3.22Å; W485-L509 WeakPolarHBondContact CZ3-O 3.44Å; W485-L510 HydrophobicContact CH2-CB 4.39Å; W485-L510 HydrophobicContact CH2-CD2 3.85Å; W485-R511 HydrophobicContact CD2-CB 3.69Å; W485-R511 HydrophobicContact CD2-CG 3.94Å; W485-R511 VanDerWaalsContact CE2-O 3.26Å; W485-R511 HydrophobicContact CE3-CB 4.18Å; W485-R511 HydrophobicContact CE3-CG 4.06Å; W485-R511 HydrophobicContact CG-CB 3.99Å; W485-R511 HydrophobicContact CG-CG 4.2Å; W485-R511 VanDerWaalsContact CH2-N 3.28Å; W485-R511 HydrophobicContact CZ2-CB 4.08Å; W485-R511 WeakPolarHBondContact CZ2-O 3.41Å; W485-R511 PolarHBondContact NE1-O 3.16Å; W485-I521 HydrophobicContact CB-CD1 4.23Å; W485-I521 HydrophobicContact CG-CD1 3.99Å
486	K	96.3	Very high	96.1	Very high	147 Å²	147	41 Å²	41	64%	0.639	22%	0.215	S	C	*	.	H	α-helix	trans	-69.3	-38.3	177.8	-63.6	-178.2	-171.8	152.9	0	111.5	D482 T483 F484	D482-K486 VanDerWaalsContact O-CD 3.25Å; D482-K486 WeakPolarHBondContact O-CD 3.31Å; D482-K486 WeakPolarHBondContact O-CE 3.28Å; D482-K486 PolarHBondContact O-NZ 3.04Å; T483-K486 PolarHBondContact O-N 2.86Å; T483-K486 VanDerWaalsContact O-N 3.13Å; F484-K486 VanDerWaalsContact C-N 3.3Å; F484-K486 PolarHBondContact O-N 3.36Å
487	E	97.1	Very high	96.3	Very high	70 Å²	70	40.8 Å²	40.8	33%	0.327	21%	0.206	S	C	.	.	H	α-helix	trans	-82	-41.9	-178.2	-61.2	-59.7	139.9	0	0	112.6	A393 T483 F484	A393-E487 HydrophobicContact CB-CB 4.42Å; A393-E487 WeakPolarHBondContact CB-OE2 3.49Å; A393-E487 PolarHBondContact N-OE2 3.08Å; T483-E487 PolarHBondContact O-N 2.9Å; F484-E487 PolarHBondContact O-N 3.36Å
488	F	98.1	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-124.8	11.8	-168.2	-52.3	-65.6	0	0	0	114	M370 V389 P390 A393 L397 F432 F484 T490 N491 I492	M370-F488 HydrophobicContact CE-CE2 4.49Å; V389-F488 HydrophobicContact CG1-CD2 4.17Å; V389-F488 HydrophobicContact CG1-CE2 3.82Å; P390-F488 HydrophobicContact CB-CZ 4.3Å; P390-F488 VanDerWaalsContact O-CE2 3.31Å; P390-F488 WeakPolarHBondContact O-CE2 3.19Å; A393-F488 HydrophobicContact CB-CE1 3.97Å; A393-F488 HydrophobicContact CB-CZ 4.49Å; L397-F488 HydrophobicContact CD2-CD1 4.35Å; L397-F488 HydrophobicContact CD2-CE1 4.37Å; F432-F488 HydrophobicContact CB-CD1 3.86Å; F432-F488 HydrophobicContact CB-CE1 3.53Å; F432-F488 HydrophobicContact CB-CZ 4.42Å; F432-F488 AromaticContact CD1-CD1 3.9Å; F432-F488 HydrophobicContact CD1-CD1 3.9Å; F432-F488 HydrophobicContact CD1-CE1 4.43Å; F432-F488 AromaticContact CD2-CD1 3.67Å; F432-F488 HydrophobicContact CD2-CD1 3.67Å; F432-F488 HydrophobicContact CD2-CD2 4.37Å; F432-F488 AromaticContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE1 3.66Å; F432-F488 HydrophobicContact CD2-CE2 4.37Å; F432-F488 HydrophobicContact CD2-CG 4.04Å; F432-F488 HydrophobicContact CD2-CZ 4.03Å; F432-F488 HydrophobicContact CE1-CB 4.45Å; F432-F488 HydrophobicContact CE1-CD1 4.36Å; F432-F488 HydrophobicContact CE2-CD1 4.16Å; F432-F488 HydrophobicContact CE2-CD2 4.35Å; F432-F488 HydrophobicContact CE2-CE1 4.49Å; F432-F488 HydrophobicContact CE2-CG 4.08Å; F432-F488 AromaticContact CG-CD1 3.53Å; F432-F488 HydrophobicContact CG-CD1 3.53Å; F432-F488 AromaticContact CG-CE1 3.62Å; F432-F488 HydrophobicContact CG-CE1 3.62Å; F432-F488 HydrophobicContact CG-CG 4.26Å; F432-F488 HydrophobicContact CG-CZ 4.42Å; F432-F488 HydrophobicContact CZ-CB 4.34Å; F432-F488 HydrophobicContact CZ-CD1 4.48Å; F432-F488 HydrophobicContact CZ-CG 4.33Å; F484-F488 AromaticContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CD2-CD2 3.76Å; F484-F488 HydrophobicContact CE1-CB 4.26Å; F484-F488 HydrophobicContact CE2-CB 4.11Å; F484-F488 AromaticContact CE2-CD2 3.73Å; F484-F488 HydrophobicContact CE2-CD2 3.73Å; F484-F488 HydrophobicContact CE2-CG 4.26Å; F484-F488 HydrophobicContact CG-CD2 4.47Å; F484-F488 HydrophobicContact CZ-CB 3.92Å; F484-F488 HydrophobicContact CZ-CD2 4.4Å; F484-F488 PolarHBondContact O-N 3.44Å; F488-T490 VanDerWaalsContact C-N 3.31Å; F488-T490 PolarHBondContact O-N 2.95Å; F488-N491 HydrophobicContact CB-CB 4.41Å; F488-N491 WeakPolarHBondContact O-CB 3.35Å; F488-N491 PolarHBondContact O-N 2.98Å; F488-N491 VanDerWaalsContact O-N 3.14Å; F488-I492 PolarHBondContact O-N 2.71Å; F488-I492 VanDerWaalsContact O-N 3.14Å
489	G	97.8	Very high	96.8	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-42.1	178	0	0	0	0	0	112.6	W485 N491 I492 K493	W485-G489 WeakPolarHBondContact O-CA 3.42Å; W485-G489 PolarHBondContact O-N 3.35Å; G489-N491 VanDerWaalsContact C-N 3.34Å; G489-N491 PolarHBondContact O-N 2.72Å; G489-I492 PolarHBondContact O-N 2.59Å; G489-K493 VanDerWaalsContact O-CG 3.29Å; G489-K493 WeakPolarHBondContact O-CG 3.3Å; G489-K493 PolarHBondContact O-N 2.97Å; G489-K493 VanDerWaalsContact O-N 3.08Å
490	T	97.4	Very high	96.8	Very high	46 Å²	46	37.5 Å²	37.5	28%	0.282	19%	0.186	S	C	.	.	H	α-helix	trans	-60.4	-42	175	-53.5	0	0	0	0	111.9	F398 F488 I492 K493 L494 V572	F398-T490 HydrophobicContact CE1-CG2 4.18Å; F398-T490 HydrophobicContact CE2-CG2 4.25Å; F398-T490 HydrophobicContact CZ-CG2 3.74Å; F488-T490 VanDerWaalsContact C-N 3.31Å; F488-T490 PolarHBondContact O-N 2.95Å; T490-I492 PolarHBondContact O-N 3.16Å; T490-K493 PolarHBondContact O-N 2.99Å; T490-L494 HydrophobicContact CG2-CD1 4.3Å; T490-L494 WeakPolarHBondContact O-CG 3.33Å; T490-L494 PolarHBondContact O-N 3.44Å; T490-V572 HydrophobicContact CG2-CG1 4.33Å
491	N	97.6	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-45.4	175.4	-71.6	87.9	0	0	0	112	F398 Y429 N431 F432 F488 G489 K493 L494 G495	F398-N491 VanDerWaalsContact CZ-OD1 3.26Å; F398-N491 WeakPolarHBondContact CZ-OD1 3.48Å; Y429-N491 WeakPolarHBondContact CB-O 3.38Å; Y429-N491 VanDerWaalsContact O-CB 3.28Å; Y429-N491 WeakPolarHBondContact O-CB 3.4Å; Y429-N491 PolarHBondContact O-ND2 2.92Å; N431-N491 PolarHBondContact OD1-ND2 2.75Å; F432-N491 HydrophobicContact CD1-CB 4.03Å; F432-N491 HydrophobicContact CE1-CB 3.73Å; F488-N491 HydrophobicContact CB-CB 4.41Å; F488-N491 WeakPolarHBondContact O-CB 3.35Å; F488-N491 PolarHBondContact O-N 2.98Å; F488-N491 VanDerWaalsContact O-N 3.14Å; G489-N491 VanDerWaalsContact C-N 3.34Å; G489-N491 PolarHBondContact O-N 2.72Å; N491-K493 VanDerWaalsContact C-N 3.32Å; N491-K493 PolarHBondContact O-N 3.42Å; N491-L494 PolarHBondContact O-N 3.07Å; N491-G495 PolarHBondContact O-N 3.04Å
492	I	98.3	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.4	-41.3	177.6	-58.7	-56	0	0	0	111.2	I472 F484 W485 F488 G489 T490 G495 V496 L506 L509 L510	I472-I492 HydrophobicContact CD1-CD1 4.43Å; F484-I492 HydrophobicContact CE1-CD1 4.16Å; F484-I492 HydrophobicContact CE1-CG1 3.95Å; F484-I492 HydrophobicContact CZ-CD1 4.15Å; F484-I492 HydrophobicContact CZ-CG1 4.36Å; W485-I492 HydrophobicContact CH2-CB 4.44Å; W485-I492 HydrophobicContact CZ3-CB 3.97Å; W485-I492 HydrophobicContact CZ3-CG1 4.25Å; W485-I492 HydrophobicContact CZ3-CG2 4.08Å; F488-I492 PolarHBondContact O-N 2.71Å; F488-I492 VanDerWaalsContact O-N 3.14Å; G489-I492 PolarHBondContact O-N 2.59Å; T490-I492 PolarHBondContact O-N 3.16Å; I492-G495 PolarHBondContact O-N 2.94Å; I492-V496 PolarHBondContact O-N 3.37Å; I492-V496 VanDerWaalsContact O-N 3.08Å; I492-L506 HydrophobicContact CD1-CD2 4.43Å; I492-L506 HydrophobicContact CG2-CD2 4.33Å; I492-L509 HydrophobicContact CD1-CD1 4.46Å; I492-L509 HydrophobicContact CG2-CB 3.99Å; I492-L510 HydrophobicContact CG2-CD2 4.11Å
493	K	98.2	Very high	97	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-43	177.2	-65.3	169	-165.3	-177.9	0	112	W485 G489 T490 N491 G495 V496 I497 L510 E570 V572 D573 C576	W485-K493 HydrophobicContact CH2-CG 4.36Å; W485-K493 VanDerWaalsContact CZ2-CE 3.43Å; G489-K493 VanDerWaalsContact O-CG 3.29Å; G489-K493 WeakPolarHBondContact O-CG 3.3Å; G489-K493 PolarHBondContact O-N 2.97Å; G489-K493 VanDerWaalsContact O-N 3.08Å; T490-K493 PolarHBondContact O-N 2.99Å; N491-K493 VanDerWaalsContact C-N 3.32Å; N491-K493 PolarHBondContact O-N 3.42Å; K493-G495 VanDerWaalsContact C-N 3.3Å; K493-G495 PolarHBondContact O-N 3.42Å; K493-V496 WeakPolarHBondContact O-CB 3.32Å; K493-V496 PolarHBondContact O-N 3.32Å; K493-I497 WeakPolarHBondContact O-CG1 3.42Å; K493-I497 PolarHBondContact O-N 2.95Å; K493-L510 HydrophobicContact CG-CD2 4.05Å; K493-E570 IonicContact NZ-OE1 3.36Å; K493-E570 PolarHBondContact NZ-OE1 3.27Å; K493-E570 IonicContact NZ-OE2 2.98Å; K493-E570 PolarHBondContact NZ-OE2 3.04Å; K493-V572 HydrophobicContact CB-CG1 4.17Å; K493-V572 HydrophobicContact CB-CG2 4.17Å; K493-V572 HydrophobicContact CD-CG1 3.58Å; K493-D573 VanDerWaalsContact CD-OD1 3.23Å; K493-D573 WeakPolarHBondContact CD-OD1 3.45Å; K493-D573 WeakPolarHBondContact CE-OD1 3.35Å; K493-D573 IonicContact NZ-OD1 3.59Å; K493-D573 PolarHBondContact NZ-OD1 2.98Å; K493-D573 IonicContact NZ-OD2 3.09Å; K493-C576 HydrophobicContact CB-CB 4.09Å; K493-C576 HydrophobicContact CG-CB 4.42Å
494	L	97.2	Very high	96.9	Very high	29 Å²	29	42 Å²	42	15%	0.152	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-40.2	173.2	-68.6	173.4	0	0	0	111.5	F398 Y401 T490 N491 V496 I497 E498 V572	F398-L494 HydrophobicContact CD1-CD1 4.46Å; F398-L494 HydrophobicContact CE1-CD1 3.87Å; Y401-L494 HydrophobicContact CE1-CD1 4.18Å; Y401-L494 HydrophobicContact CE2-CD1 4Å; T490-L494 HydrophobicContact CG2-CD1 4.3Å; T490-L494 WeakPolarHBondContact O-CG 3.33Å; T490-L494 PolarHBondContact O-N 3.44Å; N491-L494 PolarHBondContact O-N 3.07Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 2.91Å; L494-I497 HydrophobicContact CD2-CD1 4.49Å; L494-I497 WeakPolarHBondContact O-CB 3.49Å; L494-I497 PolarHBondContact O-N 3.2Å; L494-I497 VanDerWaalsContact O-N 3.08Å; L494-E498 WeakPolarHBondContact O-CB 3.31Å; L494-E498 WeakPolarHBondContact O-CG 3.3Å; L494-E498 PolarHBondContact O-N 2.67Å; L494-V572 HydrophobicContact CD2-CG2 3.98Å; L494-V572 HydrophobicContact CG-CG2 4.45Å
495	G	97.5	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-39.3	174.4	0	0	0	0	0	113.3	N491 I492 K493 I497 E498 D499 L506	N491-G495 PolarHBondContact O-N 3.04Å; I492-G495 PolarHBondContact O-N 2.94Å; K493-G495 VanDerWaalsContact C-N 3.3Å; K493-G495 PolarHBondContact O-N 3.42Å; G495-I497 VanDerWaalsContact C-N 3.26Å; G495-I497 PolarHBondContact O-N 2.94Å; G495-E498 PolarHBondContact O-N 2.98Å; G495-D499 WeakPolarHBondContact O-CA 3.43Å; G495-D499 WeakPolarHBondContact O-CB 3.22Å; G495-D499 PolarHBondContact O-N 3.45Å; G495-L506 VanDerWaalsContact C-CD1 3.48Å; G495-L506 WeakPolarHBondContact O-CD1 3.45Å
496	V	98	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-37.2	176	171.3	0	0	0	0	111.3	I492 K493 L494 R503 L506 L510 L580	I492-V496 PolarHBondContact O-N 3.37Å; I492-V496 VanDerWaalsContact O-N 3.08Å; K493-V496 WeakPolarHBondContact O-CB 3.32Å; K493-V496 PolarHBondContact O-N 3.32Å; L494-V496 VanDerWaalsContact C-N 3.3Å; L494-V496 PolarHBondContact O-N 2.91Å; V496-R503 HydrophobicContact CG1-CG 4.17Å; V496-R503 PolarHBondContact O-NE 3.46Å; V496-R503 PolarHBondContact O-NH2 3.42Å; V496-R503 VanDerWaalsContact O-NH2 3.16Å; V496-L506 HydrophobicContact CG2-CB 3.73Å; V496-L510 HydrophobicContact CG2-CD1 4.24Å; V496-L510 HydrophobicContact CG2-CD2 4.14Å; V496-L510 HydrophobicContact CG2-CG 4.37Å; V496-L580 HydrophobicContact CG1-CB 4.23Å
497	I	96.6	Very high	96.9	Very high	52 Å²	52	38.4 Å²	38.4	27%	0.267	20%	0.2	S	C	.	.	H	α-helix	trans	-71.8	-51.6	179.1	-59.3	165.1	0	0	0	110.2	K493 L494 G495 R503 V572 A579	K493-I497 WeakPolarHBondContact O-CG1 3.42Å; K493-I497 PolarHBondContact O-N 2.95Å; L494-I497 HydrophobicContact CD2-CD1 4.49Å; L494-I497 WeakPolarHBondContact O-CB 3.49Å; L494-I497 PolarHBondContact O-N 3.2Å; L494-I497 VanDerWaalsContact O-N 3.08Å; G495-I497 VanDerWaalsContact C-N 3.26Å; G495-I497 PolarHBondContact O-N 2.94Å; I497-R503 PolarHBondContact O-NH2 3.23Å; I497-R503 VanDerWaalsContact O-NH2 3.11Å; I497-V572 HydrophobicContact CD1-CG2 4.04Å; I497-A579 HydrophobicContact CB-CB 4.4Å; I497-A579 HydrophobicContact CG1-CB 4.1Å
498	E	95.2	Very high	96.9	Very high	73 Å²	73	38.7 Å²	38.7	34%	0.341	20%	0.2	S	C	.	.	H	α-helix	trans	-81.8	-41.4	-169.9	-64	174.1	-170.2	0	0	114	Y401 L494 G495 H500	Y401-E498 WeakPolarHBondContact CE1-OE1 3.33Å; Y401-E498 PolarHBondContact OH-OE1 3.1Å; Y401-E498 PolarHBondContact OH-OE2 3.15Å; L494-E498 WeakPolarHBondContact O-CB 3.31Å; L494-E498 WeakPolarHBondContact O-CG 3.3Å; L494-E498 PolarHBondContact O-N 2.67Å; G495-E498 PolarHBondContact O-N 2.98Å; E498-H500 PolarHBondContact O-CD2 3.47Å; E498-H500 PolarHBondContact O-N 3.29Å
499	D	96.1	Very high	96.9	Very high	22 Å²	22	39.1 Å²	39.1	12%	0.118	20%	0.202	C	C	.	.			trans	-101.5	82.5	-170.7	-168.6	-15.2	0	0	0	112.2	Y429 G495 S501 N502 R503 L506	Y429-D499 HydrophobicContact CD1-CB 4.43Å; Y429-D499 HydrophobicContact CE1-CB 3.59Å; Y429-D499 PolarHBondContact OH-OD2 2.88Å; G495-D499 WeakPolarHBondContact O-CA 3.43Å; G495-D499 WeakPolarHBondContact O-CB 3.22Å; G495-D499 PolarHBondContact O-N 3.45Å; D499-S501 PolarHBondContact O-N 3.47Å; D499-S501 VanDerWaalsContact O-N 3.17Å; D499-S501 PolarHBondContact OD1-N 2.81Å; D499-S501 VanDerWaalsContact OD1-N 3.14Å; D499-S501 PolarHBondContact OD1-OG 3.48Å; D499-N502 PolarHBondContact O-N 3.28Å; D499-N502 PolarHBondContact OD1-N 3.37Å; D499-N502 VanDerWaalsContact OD1-N 3.09Å; D499-N502 PolarHBondContact OD1-ND2 3.36Å; D499-N502 PolarHBondContact OD2-ND2 3.31Å; D499-R503 PolarHBondContact O-N 3.5Å; D499-L506 HydrophobicContact CB-CD1 4.22Å
500	H	95	Very high	96.9	Very high	139 Å²	139	39 Å²	39	64%	0.644	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.4	176.6	-61.5	-92	0	0	0	113.3	E498 R503	E498-H500 PolarHBondContact O-CD2 3.47Å; E498-H500 PolarHBondContact O-N 3.29Å; H500-R503 PolarHBondContact CE1-NH2 2.82Å; H500-R503 PolarHBondContact ND1-NH1 3.06Å; H500-R503 PolarHBondContact ND1-NH2 3.38Å
501	S	95.7	Very high	97	Very high	102 Å²	102	37.6 Å²	37.6	71%	0.713	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-29.7	-174.9	70.4	0	0	0	0	113.2	D499	D499-S501 PolarHBondContact O-N 3.47Å; D499-S501 VanDerWaalsContact O-N 3.17Å; D499-S501 PolarHBondContact OD1-N 2.81Å; D499-S501 VanDerWaalsContact OD1-N 3.14Å; D499-S501 PolarHBondContact OD1-OG 3.48Å
502	N	96.9	Very high	97	Very high	34 Å²	34	38 Å²	38	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	3	178	-65.8	-62.5	0	0	0	113.3	V465 L469 D499 T504 R505 L506	V465-N502 WeakPolarHBondContact CG1-ND2 3.33Å; L469-N502 HydrophobicContact CD1-CB 3.81Å; D499-N502 PolarHBondContact O-N 3.28Å; D499-N502 PolarHBondContact OD1-N 3.37Å; D499-N502 VanDerWaalsContact OD1-N 3.09Å; D499-N502 PolarHBondContact OD1-ND2 3.36Å; D499-N502 PolarHBondContact OD2-ND2 3.31Å; N502-T504 VanDerWaalsContact C-N 3.31Å; N502-T504 PolarHBondContact O-N 2.73Å; N502-R505 WeakPolarHBondContact O-CA 3.3Å; N502-R505 WeakPolarHBondContact O-CB 3.49Å; N502-R505 PolarHBondContact O-N 3.18Å; N502-L506 HydrophobicContact CB-CD1 4.06Å; N502-L506 HydrophobicContact CB-CG 4.39Å; N502-L506 PolarHBondContact O-N 3.48Å
503	R	96.1	Very high	97	Very high	40 Å²	40	40.3 Å²	40.3	15%	0.151	20%	0.203	C	C	.	.	H	α-helix	trans	-48.4	-47.2	-176.4	-176.8	171.8	-66.7	162.4	3.2	113.7	V496 I497 D499 H500 R505 L506 A507 A579 L580	V496-R503 HydrophobicContact CG1-CG 4.17Å; V496-R503 PolarHBondContact O-NE 3.46Å; V496-R503 PolarHBondContact O-NH2 3.42Å; V496-R503 VanDerWaalsContact O-NH2 3.16Å; I497-R503 PolarHBondContact O-NH2 3.23Å; I497-R503 VanDerWaalsContact O-NH2 3.11Å; D499-R503 PolarHBondContact O-N 3.5Å; H500-R503 PolarHBondContact CE1-NH2 2.82Å; H500-R503 PolarHBondContact ND1-NH1 3.06Å; H500-R503 PolarHBondContact ND1-NH2 3.38Å; R503-R505 VanDerWaalsContact C-N 3.31Å; R503-R505 PolarHBondContact O-N 2.88Å; R503-L506 PolarHBondContact O-N 3.26Å; R503-A507 WeakPolarHBondContact O-CB 3.46Å; R503-A507 PolarHBondContact O-N 2.88Å; R503-A579 WeakPolarHBondContact CD-O 3.36Å; R503-A579 PolarHBondContact NE-O 3.16Å; R503-A579 PolarHBondContact NH1-O 3.18Å; R503-L580 HydrophobicContact CG-CD1 3.87Å
504	T	94.9	Very high	97	Very high	106 Å²	106	40.3 Å²	40.3	65%	0.65	20%	0.204	S	C	*	.	H	α-helix	trans	-63	-36.9	178.9	-52.7	0	0	0	0	112.5	N502	N502-T504 VanDerWaalsContact C-N 3.31Å; N502-T504 PolarHBondContact O-N 2.73Å
505	R	96.3	Very high	97	Very high	88 Å²	88	40.7 Å²	40.7	33%	0.332	21%	0.209	S	C	.	.	H	α-helix	trans	-73.1	-41.2	178	179.8	178.1	-76.1	-100.1	5.8	111.2	L469 D470 N502 R503 K508	L469-R505 HydrophobicContact CB-CG 4.35Å; L469-R505 HydrophobicContact CD1-CG 4.16Å; D470-R505 IonicContact OD1-CZ 3.67Å; D470-R505 IonicContact OD1-NH1 3.63Å; D470-R505 PolarHBondContact OD1-NH1 3.45Å; D470-R505 IonicContact OD1-NH2 3.22Å; N502-R505 WeakPolarHBondContact O-CA 3.3Å; N502-R505 WeakPolarHBondContact O-CB 3.49Å; N502-R505 PolarHBondContact O-N 3.18Å; R503-R505 VanDerWaalsContact C-N 3.31Å; R503-R505 PolarHBondContact O-N 2.88Å; R505-K508 PolarHBondContact O-N 3.05Å
506	L	97.8	Very high	96.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-37.3	175.9	-72.3	163.7	0	0	0	112	Y429 L469 I492 G495 V496 D499 N502 R503 K508 L509 L510	Y429-L506 HydrophobicContact CE2-CD1 4.18Å; Y429-L506 HydrophobicContact CE2-CD2 3.95Å; L469-L506 HydrophobicContact CD1-CD2 4.37Å; L469-L506 HydrophobicContact CD1-CG 4.35Å; L469-L506 HydrophobicContact CD2-CD2 3.58Å; L469-L506 HydrophobicContact CD2-CG 4.42Å; I492-L506 HydrophobicContact CD1-CD2 4.43Å; I492-L506 HydrophobicContact CG2-CD2 4.33Å; G495-L506 VanDerWaalsContact C-CD1 3.48Å; G495-L506 WeakPolarHBondContact O-CD1 3.45Å; V496-L506 HydrophobicContact CG2-CB 3.73Å; D499-L506 HydrophobicContact CB-CD1 4.22Å; N502-L506 HydrophobicContact CB-CD1 4.06Å; N502-L506 HydrophobicContact CB-CG 4.39Å; N502-L506 PolarHBondContact O-N 3.48Å; R503-L506 PolarHBondContact O-N 3.26Å; L506-K508 PolarHBondContact O-N 3.18Å; L506-L509 WeakPolarHBondContact O-CA 3.48Å; L506-L509 WeakPolarHBondContact O-CB 3.31Å; L506-L509 PolarHBondContact O-N 2.99Å; L506-L510 PolarHBondContact O-N 3.17Å
507	A	97.8	Very high	96.9	Very high	1 Å²	1	50 Å²	50	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-33.9	177.8	0	0	0	0	0	112.6	R503 L509 L510 L580 F583	R503-A507 WeakPolarHBondContact O-CB 3.46Å; R503-A507 PolarHBondContact O-N 2.88Å; A507-L509 PolarHBondContact O-N 3.19Å; A507-L510 HydrophobicContact CB-CD1 4.41Å; A507-L510 WeakPolarHBondContact O-CB 3.27Å; A507-L510 PolarHBondContact O-N 2.65Å; A507-L580 HydrophobicContact CB-CD1 3.92Å; A507-L580 HydrophobicContact CB-CD2 3.91Å; A507-F583 HydrophobicContact CB-CD2 3.78Å; A507-F583 HydrophobicContact CB-CE2 3.89Å
508	K	96.9	Very high	96.7	Very high	76 Å²	76	51.9 Å²	51.9	33%	0.33	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19	175.7	-62.9	-169.3	175.5	-146.7	0	113.7	R505 L506 R511 F583	R505-K508 PolarHBondContact O-N 3.05Å; L506-K508 PolarHBondContact O-N 3.18Å; K508-R511 PolarHBondContact O-NH1 3.23Å; K508-F583 HydrophobicContact CG-CE2 3.94Å; K508-F583 HydrophobicContact CG-CZ 4.1Å
509	L	97.8	Very high	96.6	Very high	9 Å²	9	53 Å²	53	5%	0.047	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-13.4	175.7	-63.5	178.7	0	0	0	111.9	L469 I472 K473 Y480 W485 I492 L506 A507 R511	L469-L509 HydrophobicContact CD2-CD1 4.31Å; I472-L509 HydrophobicContact CB-CD1 4.41Å; I472-L509 HydrophobicContact CG2-CD1 3.84Å; I472-L509 HydrophobicContact CG2-CD2 4.19Å; K473-L509 HydrophobicContact CB-CD2 4.29Å; Y480-L509 WeakPolarHBondContact CE1-O 3.05Å; Y480-L509 HydrophobicContact CE2-CD2 4.34Å; Y480-L509 WeakPolarHBondContact OH-CB 3.42Å; Y480-L509 PolarHBondContact OH-O 3.27Å; W485-L509 VanDerWaalsContact CZ3-O 3.22Å; W485-L509 WeakPolarHBondContact CZ3-O 3.44Å; I492-L509 HydrophobicContact CD1-CD1 4.46Å; I492-L509 HydrophobicContact CG2-CB 3.99Å; L506-L509 WeakPolarHBondContact O-CA 3.48Å; L506-L509 WeakPolarHBondContact O-CB 3.31Å; L506-L509 PolarHBondContact O-N 2.99Å; A507-L509 PolarHBondContact O-N 3.19Å; L509-R511 PolarHBondContact O-NH1 3.08Å
510	L	98.3	Very high	96.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.298	C	S	.	.			trans	-62.5	141.4	-179.6	-65	173.2	0	0	0	111.8	W485 I492 K493 V496 L506 A507 F512 L524 L580	W485-L510 HydrophobicContact CH2-CB 4.39Å; W485-L510 HydrophobicContact CH2-CD2 3.85Å; I492-L510 HydrophobicContact CG2-CD2 4.11Å; K493-L510 HydrophobicContact CG-CD2 4.05Å; V496-L510 HydrophobicContact CG2-CD1 4.24Å; V496-L510 HydrophobicContact CG2-CD2 4.14Å; V496-L510 HydrophobicContact CG2-CG 4.37Å; L506-L510 PolarHBondContact O-N 3.17Å; A507-L510 HydrophobicContact CB-CD1 4.41Å; A507-L510 WeakPolarHBondContact O-CB 3.27Å; A507-L510 PolarHBondContact O-N 2.65Å; L510-F512 HydrophobicContact CB-CD2 4.39Å; L510-F512 HydrophobicContact CB-CE2 3.63Å; L510-F512 HydrophobicContact CB-CZ 4.08Å; L510-F512 HydrophobicContact CD1-CE2 3.94Å; L510-F512 HydrophobicContact CD1-CZ 4.02Å; L510-F512 HydrophobicContact CD2-CZ 4.2Å; L510-F512 HydrophobicContact CG-CE2 4.26Å; L510-F512 HydrophobicContact CG-CZ 4.33Å; L510-L524 HydrophobicContact CB-CD1 4.4Å; L510-L524 HydrophobicContact CD1-CD1 3.99Å; L510-L580 HydrophobicContact CD1-CD2 4.15Å
511	R	98.1	Very high	96.7	Very high	17 Å²	17	51.9 Å²	51.9	6%	0.064	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.8	169.1	-56.6	-70.8	-178.9	-90.6	4.3	109.8	D477 Y480 N481 W485 K508 L509 I521 T522	D477-R511 IonicContact OD1-NH2 2.78Å; Y480-R511 HydrophobicContact CD1-CG 4.14Å; Y480-R511 HydrophobicContact CE1-CG 3.73Å; N481-R511 WeakPolarHBondContact OD1-CD 3.31Å; N481-R511 PolarHBondContact OD1-NE 3.48Å; W485-R511 HydrophobicContact CD2-CB 3.69Å; W485-R511 HydrophobicContact CD2-CG 3.94Å; W485-R511 VanDerWaalsContact CE2-O 3.26Å; W485-R511 HydrophobicContact CE3-CB 4.18Å; W485-R511 HydrophobicContact CE3-CG 4.06Å; W485-R511 HydrophobicContact CG-CB 3.99Å; W485-R511 HydrophobicContact CG-CG 4.2Å; W485-R511 VanDerWaalsContact CH2-N 3.28Å; W485-R511 HydrophobicContact CZ2-CB 4.08Å; W485-R511 WeakPolarHBondContact CZ2-O 3.41Å; W485-R511 PolarHBondContact NE1-O 3.16Å; K508-R511 PolarHBondContact O-NH1 3.23Å; L509-R511 PolarHBondContact O-NH1 3.08Å; R511-I521 HydrophobicContact CB-CB 4.12Å; R511-I521 HydrophobicContact CB-CD1 3.68Å; R511-I521 HydrophobicContact CB-CG1 4.02Å; R511-I521 HydrophobicContact CG-CD1 4.06Å; R511-I521 HydrophobicContact CG-CG1 4.46Å; R511-T522 VanDerWaalsContact CA-O 3.32Å; R511-T522 WeakPolarHBondContact CA-O 3.5Å
512	F	98	Very high	96.7	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.5	177.6	-60.1	-75.2	0	0	0	110.7	L510 I521 T522 L524 I566 L568 I577	L510-F512 HydrophobicContact CB-CD2 4.39Å; L510-F512 HydrophobicContact CB-CE2 3.63Å; L510-F512 HydrophobicContact CB-CZ 4.08Å; L510-F512 HydrophobicContact CD1-CE2 3.94Å; L510-F512 HydrophobicContact CD1-CZ 4.02Å; L510-F512 HydrophobicContact CD2-CZ 4.2Å; L510-F512 HydrophobicContact CG-CE2 4.26Å; L510-F512 HydrophobicContact CG-CZ 4.33Å; F512-I521 CarbonylContact O-C 3.57Å; F512-I521 VanDerWaalsContact O-CA 3.29Å; F512-I521 WeakPolarHBondContact O-CA 3.25Å; F512-T522 PolarHBondContact N-O 2.86Å; F512-T522 PolarHBondContact O-N 2.72Å; F512-L524 HydrophobicContact CD2-CD2 4.13Å; F512-L524 HydrophobicContact CE2-CD2 4.15Å; F512-L524 HydrophobicContact CE2-CG 4.44Å; F512-I566 HydrophobicContact CB-CG2 3.45Å; F512-I566 VanDerWaalsContact CB-CG2 3.45Å; F512-I566 HydrophobicContact CD1-CG2 4.48Å; F512-I566 HydrophobicContact CD2-CG2 4.22Å; F512-I566 HydrophobicContact CG-CG2 3.82Å; F512-L568 HydrophobicContact CD1-CD2 3.43Å; F512-L568 VanDerWaalsContact CD1-CD2 3.43Å; F512-L568 HydrophobicContact CE1-CD2 3.64Å; F512-L568 HydrophobicContact CG-CD2 4.04Å; F512-L568 HydrophobicContact CZ-CD2 4.38Å; F512-I577 HydrophobicContact CE2-CD1 4.1Å; F512-I577 HydrophobicContact CZ-CD1 3.88Å
513	Q	97.8	Very high	96.8	Very high	50 Å²	50	46.2 Å²	46.2	23%	0.234	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	152	166.6	-69.7	-176.6	38.3	0	0	109.9	I521 R546 Y567	Q513-I521 HydrophobicContact CG-CG2 4.08Å; Q513-R546 VanDerWaalsContact OE1-CD 3.23Å; Q513-R546 VanDerWaalsContact OE1-CG 3.24Å; Q513-Y567 PolarHBondContact O-N 3.27Å
514	S	98.1	Very high	96.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.5	-177.3	174	0	0	0	0	111.6	H516 H517 R546 E564 V565	S514-H516 PolarHBondContact O-N 2.68Å; S514-H516 PolarHBondContact OG-N 3.23Å; S514-H517 PolarHBondContact O-N 3.23Å; S514-R546 PolarHBondContact O-NH2 3.2Å; S514-E564 WeakPolarHBondContact CB-OE1 3.35Å; S514-E564 WeakPolarHBondContact OG-CG 3.39Å; S514-E564 PolarHBondContact OG-OE1 2.93Å; S514-V565 CarbonylContact C-O 3.54Å; S514-V565 WeakPolarHBondContact CA-O 3.49Å
515	S	97.8	Very high	97	Very high	37 Å²	37	41.5 Å²	41.5	26%	0.259	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.2	172.5	72.4	0	0	0	0	114.1	H517 L559 E564 V565 Y567	S515-H517 VanDerWaalsContact C-N 3.31Å; S515-L559 WeakPolarHBondContact OG-CD2 3.43Å; S515-E564 WeakPolarHBondContact OG-CA 3.45Å; S515-V565 PolarHBondContact N-O 2.68Å; S515-V565 PolarHBondContact OG-N 2.78Å; S515-Y567 WeakPolarHBondContact CB-OH 3.3Å; S515-Y567 VanDerWaalsContact N-CE2 3.33Å
516	H	96.8	Very high	97.1	Very high	120 Å²	120	40.4 Å²	40.4	56%	0.556	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-30.5	175.8	-171.8	69.4	0	0	0	112.6	S514 E564	S514-H516 PolarHBondContact O-N 2.68Å; S514-H516 PolarHBondContact OG-N 3.23Å; H516-E564 HydrophobicContact CB-CG 4.21Å
517	H	96.7	Very high	97.1	Very high	75 Å²	75	40.4 Å²	40.4	35%	0.347	21%	0.213	S	C	.	.	S	Bend	trans	-141.1	144.2	-178.4	-164.4	-94.9	0	0	0	112.4	S514 S515 T519 D520 R546	S514-H517 PolarHBondContact O-N 3.23Å; S515-H517 VanDerWaalsContact C-N 3.31Å; H517-T519 PolarHBondContact CE1-OG1 2.65Å; H517-T519 PolarHBondContact ND1-N 2.88Å; H517-T519 PolarHBondContact O-N 2.91Å; H517-D520 HydrophobicContact CB-CB 4.28Å; H517-D520 IonicContact CE1-OD1 2.89Å; H517-D520 PolarHBondContact CE1-OD1 2.96Å; H517-D520 IonicContact CE1-OD2 3.94Å; H517-D520 PolarHBondContact CE1-OD2 2.86Å; H517-D520 VanDerWaalsContact CE1-OD2 3.28Å; H517-D520 VanDerWaalsContact ND1-CB 3.3Å; H517-D520 WeakPolarHBondContact ND1-CB 3.39Å; H517-D520 PolarHBondContact ND1-N 3.37Å; H517-D520 IonicContact ND1-OD1 3.33Å; H517-D520 PolarHBondContact ND1-OD1 3.12Å; H517-D520 IonicContact ND1-OD2 2.67Å; H517-D520 IonicContact NE2-OD2 2.64Å; H517-R546 PolarHBondContact O-NH2 2.95Å
518	P	93.6	Very high	97.1	Very high	92 Å²	92	42 Å²	42	60%	0.597	22%	0.223	S	C	*	.	S	Bend	trans	-62.4	-36.1	-177.4	-26.3	36.2	0	0	0	114.8	R546	P518-R546 VanDerWaalsContact O-CZ 3.23Å; P518-R546 PolarHBondContact O-NH1 2.97Å; P518-R546 PolarHBondContact O-NH2 2.83Å
519	T	92.2	Very high	97.1	Very high	96 Å²	96	45.9 Å²	45.9	59%	0.589	24%	0.242	S	C	*	.	S	Bend	trans	-125.8	-48.3	-170.8	48	0	0	0	0	113.3	H517	H517-T519 PolarHBondContact CE1-OG1 2.65Å; H517-T519 PolarHBondContact ND1-N 2.88Å; H517-T519 PolarHBondContact O-N 2.91Å
520	D	95.1	Very high	97	Very high	97 Å²	97	49.3 Å²	49.3	52%	0.519	25%	0.254	S	S	.	.			trans	-58.5	145.9	-173.8	-55.2	5.5	0	0	0	113	H517	H517-D520 HydrophobicContact CB-CB 4.28Å; H517-D520 IonicContact CE1-OD1 2.89Å; H517-D520 PolarHBondContact CE1-OD1 2.96Å; H517-D520 IonicContact CE1-OD2 3.94Å; H517-D520 PolarHBondContact CE1-OD2 2.86Å; H517-D520 VanDerWaalsContact CE1-OD2 3.28Å; H517-D520 VanDerWaalsContact ND1-CB 3.3Å; H517-D520 WeakPolarHBondContact ND1-CB 3.39Å; H517-D520 PolarHBondContact ND1-N 3.37Å; H517-D520 IonicContact ND1-OD1 3.33Å; H517-D520 PolarHBondContact ND1-OD1 3.12Å; H517-D520 IonicContact ND1-OD2 2.67Å; H517-D520 IonicContact NE2-OD2 2.64Å
521	I	97.1	Very high	96.9	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.205	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	147.9	176.7	62.9	-175.3	0	0	0	110.2	N481 W485 R511 F512 Q513	N481-I521 HydrophobicContact CB-CD1 3.82Å; N481-I521 HydrophobicContact CB-CG1 4.03Å; W485-I521 HydrophobicContact CB-CD1 4.23Å; W485-I521 HydrophobicContact CG-CD1 3.99Å; R511-I521 HydrophobicContact CB-CB 4.12Å; R511-I521 HydrophobicContact CB-CD1 3.68Å; R511-I521 HydrophobicContact CB-CG1 4.02Å; R511-I521 HydrophobicContact CG-CD1 4.06Å; R511-I521 HydrophobicContact CG-CG1 4.46Å; F512-I521 CarbonylContact O-C 3.57Å; F512-I521 VanDerWaalsContact O-CA 3.29Å; F512-I521 WeakPolarHBondContact O-CA 3.25Å; Q513-I521 HydrophobicContact CG-CG2 4.08Å
522	T	97.4	Very high	96.7	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.6	178.7	-176.4	0	0	0	0	110.6	R511 F512 Q526 R530	R511-T522 VanDerWaalsContact CA-O 3.32Å; R511-T522 WeakPolarHBondContact CA-O 3.5Å; F512-T522 PolarHBondContact N-O 2.86Å; F512-T522 PolarHBondContact O-N 2.72Å; T522-Q526 VanDerWaalsContact OG1-CB 3.23Å; T522-Q526 WeakPolarHBondContact OG1-CB 3.5Å; T522-Q526 PolarHBondContact OG1-OE1 2.77Å; T522-R530 PolarHBondContact OG1-NH2 2.86Å
523	S	98.1	Very high	96.2	Very high	8 Å²	8	61.8 Å²	61.8	6%	0.056	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	164.8	165.6	77.4	0	0	0	0	111.4	D525 Q526 Y527	S523-D525 PolarHBondContact OG-N 2.7Å; S523-Q526 WeakPolarHBondContact OG-CB 3.45Å; S523-Q526 VanDerWaalsContact OG-CG 3.29Å; S523-Q526 WeakPolarHBondContact OG-CG 3.23Å; S523-Q526 PolarHBondContact OG-N 2.93Å; S523-Y527 PolarHBondContact O-N 3.42Å; S523-Y527 VanDerWaalsContact O-N 3.13Å
524	L	98	Very high	95.7	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-67.9	-36	171.8	-66.7	179.5	0	0	0	112	L510 F512 Q526 Y527 V528 I566 L580 F583 F588	L510-L524 HydrophobicContact CB-CD1 4.4Å; L510-L524 HydrophobicContact CD1-CD1 3.99Å; F512-L524 HydrophobicContact CD2-CD2 4.13Å; F512-L524 HydrophobicContact CE2-CD2 4.15Å; F512-L524 HydrophobicContact CE2-CG 4.44Å; L524-Q526 VanDerWaalsContact C-N 3.34Å; L524-Q526 PolarHBondContact O-N 3.47Å; L524-Y527 WeakPolarHBondContact O-CB 3.5Å; L524-Y527 PolarHBondContact O-N 3.05Å; L524-V528 WeakPolarHBondContact O-CG2 3.28Å; L524-V528 PolarHBondContact O-N 2.94Å; L524-I566 HydrophobicContact CD2-CD1 3.72Å; L524-L580 HydrophobicContact CD1-CD2 4.12Å; L524-F583 HydrophobicContact CB-CD1 3.74Å; L524-F583 HydrophobicContact CB-CD2 4.14Å; L524-F583 HydrophobicContact CB-CE1 3.51Å; L524-F583 HydrophobicContact CB-CE2 3.91Å; L524-F583 HydrophobicContact CB-CG 4.05Å; L524-F583 HydrophobicContact CB-CZ 3.58Å; L524-F583 HydrophobicContact CD1-CB 4.35Å; L524-F583 HydrophobicContact CD1-CD1 4.41Å; L524-F583 HydrophobicContact CD1-CD2 3.59Å; L524-F583 HydrophobicContact CD1-CE2 3.91Å; L524-F583 HydrophobicContact CD1-CG 3.86Å; L524-F583 HydrophobicContact CD1-CZ 4.45Å; L524-F588 HydrophobicContact CD1-CZ 4Å; L524-F588 HydrophobicContact CD2-CE1 4.07Å; L524-F588 HydrophobicContact CD2-CZ 4.34Å
525	D	97.5	Very high	95.4	Very high	45 Å²	45	67.6 Å²	67.6	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-48.4	174.5	-66.5	-50.2	0	0	0	110.2	S523 Y527 V528 E529 F583	S523-D525 PolarHBondContact OG-N 2.7Å; D525-Y527 VanDerWaalsContact C-N 3.33Å; D525-Y527 PolarHBondContact O-N 2.76Å; D525-V528 PolarHBondContact O-N 3.15Å; D525-V528 VanDerWaalsContact O-N 3.08Å; D525-E529 WeakPolarHBondContact O-CG 3.32Å; D525-E529 PolarHBondContact O-N 3.25Å; D525-F583 VanDerWaalsContact OD1-CZ 3.28Å; D525-F583 WeakPolarHBondContact OD1-CZ 2.9Å
526	Q	97.6	Very high	95.1	Very high	65 Å²	65	69.9 Å²	69.9	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-37.5	177.3	-79.4	173.2	-17.4	0	0	113	T522 S523 L524 R530	T522-Q526 VanDerWaalsContact OG1-CB 3.23Å; T522-Q526 WeakPolarHBondContact OG1-CB 3.5Å; T522-Q526 PolarHBondContact OG1-OE1 2.77Å; S523-Q526 WeakPolarHBondContact OG-CB 3.45Å; S523-Q526 VanDerWaalsContact OG-CG 3.29Å; S523-Q526 WeakPolarHBondContact OG-CG 3.23Å; S523-Q526 PolarHBondContact OG-N 2.93Å; L524-Q526 VanDerWaalsContact C-N 3.34Å; L524-Q526 PolarHBondContact O-N 3.47Å; Q526-R530 PolarHBondContact O-N 3.02Å; Q526-R530 PolarHBondContact O-NH1 3.31Å
527	Y	98.3	Very high	95.1	Very high	1 Å²	1	66.5 Å²	66.5	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-46.5	172.9	178.5	-76.7	0	0	0	110.5	S523 L524 D525 E529 R530 M531 Q535 I538 Y539 E564 I566	S523-Y527 PolarHBondContact O-N 3.42Å; S523-Y527 VanDerWaalsContact O-N 3.13Å; L524-Y527 WeakPolarHBondContact O-CB 3.5Å; L524-Y527 PolarHBondContact O-N 3.05Å; D525-Y527 VanDerWaalsContact C-N 3.33Å; D525-Y527 PolarHBondContact O-N 2.76Å; Y527-E529 VanDerWaalsContact C-N 3.32Å; Y527-E529 PolarHBondContact O-N 2.96Å; Y527-R530 CarbonylContact O-C 3.55Å; Y527-R530 PolarHBondContact O-N 2.92Å; Y527-R530 VanDerWaalsContact O-N 3.11Å; Y527-M531 HydrophobicContact CD1-CG 3.88Å; Y527-M531 HydrophobicContact CD1-SD 4.2Å; Y527-M531 HydrophobicContact CE1-CG 3.64Å; Y527-M531 HydrophobicContact CE1-SD 4Å; Y527-M531 WeakPolarHBondContact O-CG 3.28Å; Y527-M531 PolarHBondContact O-N 2.8Å; Y527-M531 VanDerWaalsContact O-N 3.12Å; Y527-Q535 PolarHBondContact OH-NE2 2.71Å; Y527-I538 HydrophobicContact CD1-CB 4.47Å; Y527-I538 HydrophobicContact CD1-CG1 4.06Å; Y527-I538 HydrophobicContact CD1-CG2 3.98Å; Y527-I538 HydrophobicContact CE1-CB 3.96Å; Y527-I538 HydrophobicContact CE1-CG1 3.82Å; Y527-I538 HydrophobicContact CE1-CG2 3.69Å; Y527-I538 HydrophobicContact CE2-CG2 4.35Å; Y527-I538 HydrophobicContact CG-CG2 4.48Å; Y527-Y539 PolarHBondContact OH-N 3Å; Y527-E564 HydrophobicContact CD2-CB 4.16Å; Y527-E564 VanDerWaalsContact CD2-CD 3.49Å; Y527-E564 HydrophobicContact CD2-CG 3.72Å; Y527-E564 WeakPolarHBondContact CD2-OE1 3.4Å; Y527-E564 HydrophobicContact CE2-CB 3.67Å; Y527-E564 HydrophobicContact CE2-CG 3.62Å; Y527-E564 PolarHBondContact OH-O 3.45Å; Y527-I566 HydrophobicContact CD2-CD1 3.89Å; Y527-I566 HydrophobicContact CD2-CG1 3.65Å; Y527-I566 HydrophobicContact CE2-CD1 4.26Å; Y527-I566 HydrophobicContact CE2-CG1 3.84Å; Y527-I566 HydrophobicContact CG-CD1 4.24Å; Y527-I566 HydrophobicContact CG-CG1 4.49Å
528	V	97.3	Very high	95.1	Very high	35 Å²	35	63 Å²	63	21%	0.212	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-39.2	-178.8	173.8	0	0	0	0	111.6	L524 D525 R530 M531 I538 F583	L524-V528 WeakPolarHBondContact O-CG2 3.28Å; L524-V528 PolarHBondContact O-N 2.94Å; D525-V528 PolarHBondContact O-N 3.15Å; D525-V528 VanDerWaalsContact O-N 3.08Å; V528-R530 PolarHBondContact O-N 3.01Å; V528-M531 HydrophobicContact CB-SD 4.19Å; V528-M531 HydrophobicContact CG1-SD 4.19Å; V528-M531 HydrophobicContact CG2-SD 3.97Å; V528-M531 WeakPolarHBondContact O-CB 3.46Å; V528-M531 PolarHBondContact O-N 3.26Å; V528-M531 VanDerWaalsContact O-N 3.16Å; V528-I538 HydrophobicContact CG2-CD1 4.26Å; V528-F583 HydrophobicContact CG2-CD1 4.03Å; V528-F583 HydrophobicContact CG2-CE1 4.29Å
529	E	97.3	Very high	95.3	Very high	157 Å²	157	59 Å²	59	73%	0.734	29%	0.286	S	S	*	.	H	α-helix	trans	-60.3	-31.3	174.8	-72.8	172.5	179.7	0	0	113.1	D525 Y527	D525-E529 WeakPolarHBondContact O-CG 3.32Å; D525-E529 PolarHBondContact O-N 3.25Å; Y527-E529 VanDerWaalsContact C-N 3.32Å; Y527-E529 PolarHBondContact O-N 2.96Å
530	R	97.2	Very high	95.6	Very high	81 Å²	81	55.1 Å²	55.1	31%	0.306	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2.3	178.8	-64.7	-173.8	-60.3	-92.9	-0.2	113.9	T522 Q526 Y527 V528 E564	T522-R530 PolarHBondContact OG1-NH2 2.86Å; Q526-R530 PolarHBondContact O-N 3.02Å; Q526-R530 PolarHBondContact O-NH1 3.31Å; Y527-R530 CarbonylContact O-C 3.55Å; Y527-R530 PolarHBondContact O-N 2.92Å; Y527-R530 VanDerWaalsContact O-N 3.11Å; V528-R530 PolarHBondContact O-N 3.01Å; R530-E564 IonicContact CZ-OE1 2.72Å; R530-E564 IonicContact CZ-OE2 3.27Å; R530-E564 IonicContact NE-OE1 3.33Å; R530-E564 IonicContact NE-OE2 3.58Å; R530-E564 PolarHBondContact NE-OE2 3.12Å; R530-E564 IonicContact NH2-OE1 3.28Å; R530-E564 PolarHBondContact NH2-OE1 3.21Å; R530-E564 IonicContact NH2-OE2 3.76Å; R530-E564 PolarHBondContact NH2-OE2 2.96Å
531	M	96.2	Very high	95.7	Very high	28 Å²	28	51.1 Å²	51.1	14%	0.138	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.5	142.6	176.5	-75.4	177.4	74.6	0	0	110.9	Y527 V528 Q535 I538 K586	Y527-M531 HydrophobicContact CD1-CG 3.88Å; Y527-M531 HydrophobicContact CD1-SD 4.2Å; Y527-M531 HydrophobicContact CE1-CG 3.64Å; Y527-M531 HydrophobicContact CE1-SD 4Å; Y527-M531 WeakPolarHBondContact O-CG 3.28Å; Y527-M531 PolarHBondContact O-N 2.8Å; Y527-M531 VanDerWaalsContact O-N 3.12Å; V528-M531 HydrophobicContact CB-SD 4.19Å; V528-M531 HydrophobicContact CG1-SD 4.19Å; V528-M531 HydrophobicContact CG2-SD 3.97Å; V528-M531 WeakPolarHBondContact O-CB 3.46Å; V528-M531 PolarHBondContact O-N 3.26Å; V528-M531 VanDerWaalsContact O-N 3.16Å; M531-Q535 HydrophobicContact CB-CB 4.37Å; M531-Q535 HydrophobicContact CE-CB 3.87Å; M531-Q535 HydrophobicContact CE-CG 3.53Å; M531-Q535 VanDerWaalsContact CE-O 3.28Å; M531-Q535 WeakPolarHBondContact CE-O 3.35Å; M531-I538 HydrophobicContact SD-CG1 4.45Å; M531-K586 HydrophobicContact CE-CD 3.92Å; M531-K586 HydrophobicContact CE-CG 4.03Å; M531-K586 HydrophobicContact SD-CD 4.41Å; M531-K586 HydrophobicContact SD-CG 4Å
532	K	93.9	Very high	95.7	Very high	72 Å²	72	49.5 Å²	49.5	31%	0.313	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-68.8	157.2	176.4	-69.3	-180	178.9	164.5	0	112.3	K534 Q535 K561 G562 Y563	K532-K534 PolarHBondContact O-N 3Å; K532-Q535 HydrophobicContact CB-CB 4.26Å; K532-Q535 VanDerWaalsContact N-OE1 3.12Å; K532-Q535 VanDerWaalsContact O-CB 3.25Å; K532-Q535 WeakPolarHBondContact O-CB 3.36Å; K532-Q535 PolarHBondContact O-N 2.96Å; K532-K561 VanDerWaalsContact NZ-C 3.33Å; K532-K561 PolarHBondContact NZ-O 2.83Å; K532-G562 VanDerWaalsContact CE-C 3.47Å; K532-G562 WeakPolarHBondContact CE-O 3.45Å; K532-G562 PolarHBondContact NZ-O 3.15Å; K532-G562 VanDerWaalsContact NZ-O 3.12Å; K532-Y563 HydrophobicContact CD-CD1 4.08Å; K532-Y563 HydrophobicContact CD-CE1 3.93Å
533	E	86.9	Confident	95.5	Very high	185 Å²	185	49.2 Å²	49.2	86%	0.864	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	130.1	166.5	-158.9	178.1	175.4	0	0	109.7	Q535	E533-Q535 VanDerWaalsContact C-N 3.29Å; E533-Q535 PolarHBondContact O-N 3.35Å
534	K	87.3	Confident	95.3	Very high	167 Å²	167	51.6 Å²	51.6	73%	0.726	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	2.9	-172.4	-48.9	178.1	-179.7	177.7	0	117.4	K532 D536 D599	K532-K534 PolarHBondContact O-N 3Å; K534-D536 PolarHBondContact O-N 3.48Å; K534-D599 IonicContact NZ-OD2 2.66Å
535	Q	92.2	Very high	95.2	Very high	7 Å²	7	53.9 Å²	53.9	3%	0.033	26%	0.264	C	S	.	.			trans	-72.3	122.3	170.6	-168.8	-177.1	-24.8	0	0	110.2	Y527 M531 K532 E533 K537 Y539 Y563 K586	Y527-Q535 PolarHBondContact OH-NE2 2.71Å; M531-Q535 HydrophobicContact CB-CB 4.37Å; M531-Q535 HydrophobicContact CE-CB 3.87Å; M531-Q535 HydrophobicContact CE-CG 3.53Å; M531-Q535 VanDerWaalsContact CE-O 3.28Å; M531-Q535 WeakPolarHBondContact CE-O 3.35Å; K532-Q535 HydrophobicContact CB-CB 4.26Å; K532-Q535 VanDerWaalsContact N-OE1 3.12Å; K532-Q535 VanDerWaalsContact O-CB 3.25Å; K532-Q535 WeakPolarHBondContact O-CB 3.36Å; K532-Q535 PolarHBondContact O-N 2.96Å; E533-Q535 VanDerWaalsContact C-N 3.29Å; E533-Q535 PolarHBondContact O-N 3.35Å; Q535-K537 WeakPolarHBondContact CG-O 3.32Å; Q535-K537 PolarHBondContact NE2-O 2.88Å; Q535-Y539 HydrophobicContact CG-CE2 4.12Å; Q535-Y563 HydrophobicContact CB-CE1 4.36Å; Q535-Y563 HydrophobicContact CG-CD1 4.23Å; Q535-Y563 HydrophobicContact CG-CE1 4.06Å; Q535-K586 PolarHBondContact O-NZ 3.22Å
536	D	91.4	Very high	95.1	Very high	85 Å²	85	53.3 Å²	53.3	46%	0.455	26%	0.259	S	S	.	.			trans	-111.7	-7.2	-179.2	74.4	-42.6	0	0	0	113.5	K534	K534-D536 PolarHBondContact O-N 3.48Å
537	K	95.6	Very high	95.1	Very high	50 Å²	50	57.8 Å²	57.8	22%	0.217	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.1	179.8	-55	-58.4	175.9	-167.3	0	113.4	Q535 Y539 R587 Q589	Q535-K537 WeakPolarHBondContact CG-O 3.32Å; Q535-K537 PolarHBondContact NE2-O 2.88Å; K537-Y539 HydrophobicContact CB-CE1 4.08Å; K537-R587 VanDerWaalsContact CA-O 3.27Å; K537-R587 WeakPolarHBondContact CA-O 3.34Å; K537-R587 HydrophobicContact CD-CB 3.96Å; K537-Q589 HydrophobicContact CB-CB 3.92Å; K537-Q589 HydrophobicContact CG-CB 4.2Å
538	I	97.6	Very high	94.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	114	166.2	-59.9	174.4	0	0	0	107.4	Y527 V528 M531 I566 F583 K586 R587 F588 Q589	Y527-I538 HydrophobicContact CD1-CB 4.47Å; Y527-I538 HydrophobicContact CD1-CG1 4.06Å; Y527-I538 HydrophobicContact CD1-CG2 3.98Å; Y527-I538 HydrophobicContact CE1-CB 3.96Å; Y527-I538 HydrophobicContact CE1-CG1 3.82Å; Y527-I538 HydrophobicContact CE1-CG2 3.69Å; Y527-I538 HydrophobicContact CE2-CG2 4.35Å; Y527-I538 HydrophobicContact CG-CG2 4.48Å; V528-I538 HydrophobicContact CG2-CD1 4.26Å; M531-I538 HydrophobicContact SD-CG1 4.45Å; I538-I566 HydrophobicContact CG2-CD1 3.64Å; I538-F583 HydrophobicContact CD1-CB 4.08Å; I538-K586 HydrophobicContact CD1-CB 4.05Å; I538-K586 HydrophobicContact CG1-CB 3.92Å; I538-R587 PolarHBondContact N-O 2.81Å; I538-F588 HydrophobicContact CB-CD1 3.91Å; I538-F588 HydrophobicContact CB-CE1 4.12Å; I538-F588 HydrophobicContact CD1-CD1 4.43Å; I538-F588 HydrophobicContact CD1-CE1 3.91Å; I538-F588 HydrophobicContact CD1-CZ 3.99Å; I538-F588 HydrophobicContact CG2-CD1 3.79Å; I538-F588 HydrophobicContact CG2-CE1 3.79Å; I538-F588 CarbonylContact O-C 3.43Å; I538-F588 WeakPolarHBondContact O-CA 3.36Å; I538-Q589 PolarHBondContact O-N 3.05Å
539	Y	97.7	Very high	94.9	Very high	8 Å²	8	60.5 Å²	60.5	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	134.8	-177.3	-60.6	-70.3	0	0	0	110.1	Y527 Q535 K537 L558 Y563 I566 Q589 V591	Y527-Y539 PolarHBondContact OH-N 3Å; Q535-Y539 HydrophobicContact CG-CE2 4.12Å; K537-Y539 HydrophobicContact CB-CE1 4.08Å; Y539-L558 HydrophobicContact CD1-CD2 3.7Å; Y539-L558 HydrophobicContact CD2-CD2 3.86Å; Y539-L558 HydrophobicContact CE1-CD2 4.23Å; Y539-L558 HydrophobicContact CE2-CD2 4.38Å; Y539-L558 HydrophobicContact CG-CD2 3.49Å; Y539-L558 VanDerWaalsContact CG-CD2 3.49Å; Y539-Y563 HydrophobicContact CD2-CD1 4.29Å; Y539-Y563 AromaticContact CE2-CD1 3.7Å; Y539-Y563 HydrophobicContact CE2-CD1 3.7Å; Y539-Y563 HydrophobicContact CE2-CE1 4.14Å; Y539-Y563 HydrophobicContact CE2-CG 4.19Å; Y539-I566 PolarHBondContact O-N 2.83Å; Y539-Q589 WeakPolarHBondContact CA-O 3.42Å; Y539-Q589 HydrophobicContact CD1-CB 4Å; Y539-Q589 HydrophobicContact CD1-CG 4Å; Y539-Q589 HydrophobicContact CE1-CB 4.28Å; Y539-Q589 HydrophobicContact CE1-CG 4.11Å; Y539-V591 HydrophobicContact CD1-CG1 4.32Å
540	F	97.9	Very high	94.8	Very high	15 Å²	15	56.8 Å²	56.8	7%	0.066	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.2	176.5	72.7	-87.6	0	0	0	112.3	I566 L568 I577 F588 Q589 N590 V591	F540-I566 CarbonylContact C-O 3.54Å; F540-I566 WeakPolarHBondContact CA-O 3.5Å; F540-I566 HydrophobicContact CB-CB 3.95Å; F540-I566 HydrophobicContact CB-CG2 4.37Å; F540-L568 HydrophobicContact CD2-CD1 3.38Å; F540-L568 HydrophobicContact CD2-CG 4.1Å; F540-L568 HydrophobicContact CE2-CD1 3.78Å; F540-L568 HydrophobicContact CG-CD1 4.21Å; F540-I577 HydrophobicContact CD1-CG2 4.11Å; F540-I577 HydrophobicContact CE1-CG2 3.6Å; F540-I577 HydrophobicContact CE2-CG2 4.19Å; F540-I577 HydrophobicContact CZ-CB 4.47Å; F540-I577 HydrophobicContact CZ-CG2 3.61Å; F540-F588 HydrophobicContact CD1-CB 4.09Å; F540-F588 HydrophobicContact CD1-CD1 4.4Å; F540-F588 HydrophobicContact CE1-CB 3.76Å; F540-Q589 WeakPolarHBondContact CD1-O 3.42Å; F540-Q589 VanDerWaalsContact CE1-C 3.48Å; F540-Q589 PolarHBondContact N-O 3.29Å; F540-Q589 VanDerWaalsContact N-O 3.09Å; F540-N590 HydrophobicContact CE1-CB 3.88Å; F540-N590 VanDerWaalsContact CE1-N 3.3Å; F540-N590 HydrophobicContact CE2-CB 3.78Å; F540-N590 HydrophobicContact CZ-CB 3.44Å; F540-N590 VanDerWaalsContact CZ-CB 3.44Å; F540-N590 WeakPolarHBondContact O-CA 3.47Å; F540-V591 WeakPolarHBondContact O-CG2 3.34Å; F540-V591 PolarHBondContact O-N 3.48Å
541	M	97.4	Very high	94.7	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.064	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.8	174.5	178.7	58.7	-167.7	0	0	109.2	A549 S552 F554 V555 V565 I566 Y567 L568 V591 A592	M541-A549 HydrophobicContact CG-CB 4.04Å; M541-S552 WeakPolarHBondContact CE-OG 3.3Å; M541-F554 HydrophobicContact CE-CD2 3.93Å; M541-F554 HydrophobicContact CE-CE2 4.5Å; M541-F554 HydrophobicContact SD-CB 4.44Å; M541-F554 HydrophobicContact SD-CD2 4.02Å; M541-V555 HydrophobicContact CB-CG1 3.97Å; M541-V555 HydrophobicContact CG-CG1 4.28Å; M541-V565 HydrophobicContact CB-CG1 4.21Å; M541-I566 PolarHBondContact N-O 2.97Å; M541-Y567 HydrophobicContact CB-CD1 4.27Å; M541-L568 PolarHBondContact O-N 3.01Å; M541-V591 HydrophobicContact CB-CG2 3.68Å; M541-V591 HydrophobicContact CG-CG2 4.18Å; M541-V591 HydrophobicContact SD-CG2 3.77Å; M541-A592 HydrophobicContact SD-CB 4.12Å
542	A	96.8	Very high	94.7	Very high	7 Å²	7	56.1 Å²	56.1	6%	0.058	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133	175.2	0	0	0	0	0	111	L568 N657	A542-L568 WeakPolarHBondContact CA-O 3.49Å; A542-L568 HydrophobicContact CB-CB 3.97Å; A542-L568 HydrophobicContact CB-CD1 4.28Å; A542-N657 HydrophobicContact CB-CB 4.11Å
543	G	94.5	Very high	94.8	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.031	28%	0.276	C	S	.	.			trans	-149.5	175.8	179.8	0	0	0	0	0	112.1	S545 L568	G543-S545 VanDerWaalsContact C-N 3.27Å; G543-S545 PolarHBondContact O-N 2.88Å; G543-L568 PolarHBondContact N-O 3.39Å
544	S	93.4	Very high	95.2	Very high	59 Å²	59	46.7 Å²	46.7	41%	0.413	24%	0.24	S	C	.	.	S	Bend	trans	-73.9	-21.2	177	72.4	0	0	0	0	113.6	E548 R660	S544-E548 WeakPolarHBondContact CA-OE2 3.45Å; S544-E548 WeakPolarHBondContact CB-OE2 3.34Å; S544-E548 PolarHBondContact N-OE2 3.17Å; S544-E548 PolarHBondContact OG-OE2 3.31Å; S544-R660 VanDerWaalsContact CB-CZ 3.47Å
545	S	95.8	Very high	95.6	Very high	48 Å²	48	38.8 Å²	38.8	34%	0.336	21%	0.206	S	C	.	.	S	Bend	trans	-153.3	162.4	179.9	65.9	0	0	0	0	110.7	G543 K547 E548 A549	G543-S545 VanDerWaalsContact C-N 3.27Å; G543-S545 PolarHBondContact O-N 2.88Å; S545-K547 VanDerWaalsContact C-N 3.32Å; S545-K547 PolarHBondContact O-N 2.67Å; S545-E548 PolarHBondContact O-N 3.18Å; S545-E548 PolarHBondContact OG-N 3.36Å; S545-A549 PolarHBondContact O-N 3.24Å; S545-A549 VanDerWaalsContact O-N 3.1Å
546	R	95.7	Very high	95.7	Very high	34 Å²	34	40 Å²	40	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-55.5	-47.8	173.6	170.8	54.9	179.3	-95.4	7.2	111.8	Q513 S514 H517 P518 E548 A549 E550 T569	Q513-R546 VanDerWaalsContact OE1-CD 3.23Å; Q513-R546 VanDerWaalsContact OE1-CG 3.24Å; S514-R546 PolarHBondContact O-NH2 3.2Å; H517-R546 PolarHBondContact O-NH2 2.95Å; P518-R546 VanDerWaalsContact O-CZ 3.23Å; P518-R546 PolarHBondContact O-NH1 2.97Å; P518-R546 PolarHBondContact O-NH2 2.83Å; R546-E548 VanDerWaalsContact C-N 3.33Å; R546-E548 PolarHBondContact O-N 3.3Å; R546-A549 PolarHBondContact O-N 2.96Å; R546-A549 VanDerWaalsContact O-N 3.13Å; R546-E550 IonicContact CZ-OE2 2.74Å; R546-E550 IonicContact NE-OE2 2.65Å; R546-E550 PolarHBondContact NE-OE2 3.26Å; R546-E550 IonicContact NH2-OE2 3.46Å; R546-E550 WeakPolarHBondContact O-CG 3.26Å; R546-E550 PolarHBondContact O-N 2.75Å; R546-T569 HydrophobicContact CB-CG2 4.13Å
547	K	96.2	Very high	95.8	Very high	158 Å²	158	37.6 Å²	37.6	69%	0.687	20%	0.196	S	C	*	.	H	α-helix	trans	-58	-44.1	-178.2	-173.9	175.7	179.9	178.8	0	112.1	S545 E550 S551	S545-K547 VanDerWaalsContact C-N 3.32Å; S545-K547 PolarHBondContact O-N 2.67Å; K547-E550 WeakPolarHBondContact O-CG 3.35Å; K547-S551 WeakPolarHBondContact O-CB 3.39Å; K547-S551 PolarHBondContact O-N 3.08Å; K547-S551 VanDerWaalsContact O-N 3.16Å; K547-S551 PolarHBondContact O-OG 3.21Å
548	E	95.4	Very high	95.7	Very high	94 Å²	94	35.2 Å²	35.2	44%	0.439	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-42.4	176.6	-175.4	-170.6	-174.8	0	0	111.9	S544 S545 R546 S552	S544-E548 WeakPolarHBondContact CA-OE2 3.45Å; S544-E548 WeakPolarHBondContact CB-OE2 3.34Å; S544-E548 PolarHBondContact N-OE2 3.17Å; S544-E548 PolarHBondContact OG-OE2 3.31Å; S545-E548 PolarHBondContact O-N 3.18Å; S545-E548 PolarHBondContact OG-N 3.36Å; R546-E548 VanDerWaalsContact C-N 3.33Å; R546-E548 PolarHBondContact O-N 3.3Å; E548-S552 PolarHBondContact O-N 3.42Å
549	A	95.8	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.7	-38.5	-178	0	0	0	0	0	112.5	M541 S545 R546 S552 Y567	M541-A549 HydrophobicContact CG-CB 4.04Å; S545-A549 PolarHBondContact O-N 3.24Å; S545-A549 VanDerWaalsContact O-N 3.1Å; R546-A549 PolarHBondContact O-N 2.96Å; R546-A549 VanDerWaalsContact O-N 3.13Å; A549-S552 VanDerWaalsContact O-CB 3.25Å; A549-S552 WeakPolarHBondContact O-CB 3.48Å; A549-Y567 HydrophobicContact CB-CD1 3.73Å; A549-Y567 HydrophobicContact CB-CE1 4.47Å; A549-Y567 HydrophobicContact CB-CG 4.31Å
550	E	95.8	Very high	95.3	Very high	78 Å²	78	43.7 Å²	43.7	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-78.2	-33.7	-178.3	75.9	-171.6	176.3	0	0	113.4	R546 K547 S552 V555 Y567	R546-E550 IonicContact CZ-OE2 2.74Å; R546-E550 IonicContact NE-OE2 2.65Å; R546-E550 PolarHBondContact NE-OE2 3.26Å; R546-E550 IonicContact NH2-OE2 3.46Å; R546-E550 WeakPolarHBondContact O-CG 3.26Å; R546-E550 PolarHBondContact O-N 2.75Å; K547-E550 WeakPolarHBondContact O-CG 3.35Å; E550-S552 PolarHBondContact O-N 3.5Å; E550-V555 WeakPolarHBondContact O-CG2 3.38Å; E550-Y567 HydrophobicContact CB-CE1 4.1Å; E550-Y567 HydrophobicContact CB-CE2 4.03Å
551	S	95.5	Very high	95	Very high	89 Å²	89	46.4 Å²	46.4	62%	0.622	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	12.1	175.8	76.6	0	0	0	0	113	K547	K547-S551 WeakPolarHBondContact O-CB 3.39Å; K547-S551 PolarHBondContact O-N 3.08Å; K547-S551 VanDerWaalsContact O-N 3.16Å; K547-S551 PolarHBondContact O-OG 3.21Å
552	S	96.5	Very high	94.8	Very high	7 Å²	7	48.1 Å²	48.1	5%	0.049	26%	0.258	C	S	.	.			trans	-70.5	140	-175.9	172.5	0	0	0	0	111.9	M541 E548 A549 E550 F554 V555	M541-S552 WeakPolarHBondContact CE-OG 3.3Å; E548-S552 PolarHBondContact O-N 3.42Å; A549-S552 VanDerWaalsContact O-CB 3.25Å; A549-S552 WeakPolarHBondContact O-CB 3.48Å; E550-S552 PolarHBondContact O-N 3.5Å; S552-F554 PolarHBondContact O-N 3.14Å; S552-F554 VanDerWaalsContact O-N 3.07Å; S552-F554 WeakPolarHBondContact OG-CD2 3.46Å; S552-F554 PolarHBondContact OG-N 3.06Å; S552-V555 WeakPolarHBondContact O-CG2 3.38Å; S552-V555 PolarHBondContact O-N 3.48Å
553	P	95.3	Very high	94.8	Very high	34 Å²	34	49.2 Å²	49.2	22%	0.221	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.8	175	25.1	-35.1	0	0	0	112.6	V555 L640 A646	P553-V555 VanDerWaalsContact C-N 3.31Å; P553-V555 PolarHBondContact O-N 3.07Å; P553-L640 HydrophobicContact CB-CD2 3.7Å; P553-A646 HydrophobicContact CB-CB 4.44Å; P553-A646 HydrophobicContact CG-CB 4.35Å
554	F	95.8	Very high	94.9	Very high	25 Å²	25	49.9 Å²	49.9	11%	0.11	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-23	-177.2	-58.5	-60.1	0	0	0	114	M541 S552 L558 V591 A592 A646 L647 V648	M541-F554 HydrophobicContact CE-CD2 3.93Å; M541-F554 HydrophobicContact CE-CE2 4.5Å; M541-F554 HydrophobicContact SD-CB 4.44Å; M541-F554 HydrophobicContact SD-CD2 4.02Å; S552-F554 PolarHBondContact O-N 3.14Å; S552-F554 VanDerWaalsContact O-N 3.07Å; S552-F554 WeakPolarHBondContact OG-CD2 3.46Å; S552-F554 PolarHBondContact OG-N 3.06Å; F554-L558 WeakPolarHBondContact O-CD1 3.48Å; F554-V591 HydrophobicContact CB-CB 4.21Å; F554-V591 HydrophobicContact CB-CG2 3.73Å; F554-A592 HydrophobicContact CD2-CB 3.77Å; F554-A592 HydrophobicContact CE2-CB 3.91Å; F554-A592 HydrophobicContact CG-CB 4.16Å; F554-A592 HydrophobicContact CZ-CB 4.38Å; F554-A646 HydrophobicContact CD1-CB 4.35Å; F554-A646 HydrophobicContact CE1-CB 3.64Å; F554-A646 HydrophobicContact CZ-CB 4.12Å; F554-L647 WeakPolarHBondContact CZ-O 3.43Å; F554-V648 HydrophobicContact CD1-CG2 4.35Å; F554-V648 HydrophobicContact CE1-CG2 3.74Å
555	V	95.4	Very high	95.2	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18	-175.6	-61.5	0	0	0	0	113.3	M541 E550 S552 P553 R557 L558 L559 V565 Y567 V591	M541-V555 HydrophobicContact CB-CG1 3.97Å; M541-V555 HydrophobicContact CG-CG1 4.28Å; E550-V555 WeakPolarHBondContact O-CG2 3.38Å; S552-V555 WeakPolarHBondContact O-CG2 3.38Å; S552-V555 PolarHBondContact O-N 3.48Å; P553-V555 VanDerWaalsContact C-N 3.31Å; P553-V555 PolarHBondContact O-N 3.07Å; V555-R557 PolarHBondContact O-N 2.96Å; V555-L558 WeakPolarHBondContact O-CB 3.47Å; V555-L558 PolarHBondContact O-N 2.83Å; V555-L559 HydrophobicContact CB-CD1 4.11Å; V555-L559 HydrophobicContact CB-CG 4.19Å; V555-L559 HydrophobicContact CG2-CD1 3.78Å; V555-L559 HydrophobicContact CG2-CG 4.4Å; V555-L559 WeakPolarHBondContact O-CG 3.49Å; V555-L559 PolarHBondContact O-N 2.95Å; V555-V565 HydrophobicContact CG1-CG1 3.89Å; V555-V565 HydrophobicContact CG1-CG2 4.39Å; V555-Y567 HydrophobicContact CG1-CE1 4.37Å; V555-V591 HydrophobicContact CG1-CG2 3.91Å
556	E	94.1	Very high	95.3	Very high	31 Å²	31	44.9 Å²	44.9	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-50.4	-55.8	-169.3	-64.8	178.7	-171.6	0	0	114.2	L558 L559 K560 T641 E642 S643	E556-L558 VanDerWaalsContact C-N 3.33Å; E556-L558 PolarHBondContact O-N 3.13Å; E556-L559 PolarHBondContact O-N 3.14Å; E556-K560 WeakPolarHBondContact O-CB 3.3Å; E556-K560 WeakPolarHBondContact O-CG 3.39Å; E556-K560 PolarHBondContact O-N 2.85Å; E556-T641 HydrophobicContact CB-CG2 4.09Å; E556-T641 WeakPolarHBondContact CB-OG1 3.16Å; E556-T641 WeakPolarHBondContact OE2-CA 3.07Å; E556-T641 WeakPolarHBondContact OE2-CB 3.44Å; E556-T641 PolarHBondContact OE2-N 3.13Å; E556-T641 PolarHBondContact OE2-OG1 3.21Å; E556-E642 PolarHBondContact OE2-N 2.94Å; E556-S643 VanDerWaalsContact OE1-CB 3.29Å; E556-S643 WeakPolarHBondContact OE1-CB 3.13Å; E556-S643 PolarHBondContact OE1-N 3.12Å; E556-S643 PolarHBondContact OE1-OG 3.49Å; E556-S643 PolarHBondContact OE2-N 2.93Å
557	R	92.9	Very high	95.4	Very high	36 Å²	36	43.6 Å²	43.6	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-70.5	-29.9	-178.4	-162.3	-179.6	-173.9	-170	-12.7	112.3	V555 K561 F598 E600 Q638 R639 T641	V555-R557 PolarHBondContact O-N 2.96Å; R557-K561 HydrophobicContact CG-CG 4.48Å; R557-K561 WeakPolarHBondContact O-CB 3.36Å; R557-K561 WeakPolarHBondContact O-CG 3.44Å; R557-K561 PolarHBondContact O-N 3.06Å; R557-F598 HydrophobicContact CB-CZ 4.32Å; R557-F598 HydrophobicContact CG-CZ 4.41Å; R557-E600 IonicContact CZ-OE1 3.51Å; R557-E600 IonicContact NH1-OE1 3.13Å; R557-E600 IonicContact NH2-OE1 2.89Å; R557-E600 PolarHBondContact NH2-OE1 2.92Å; R557-Q638 WeakPolarHBondContact CD-O 3.41Å; R557-Q638 PolarHBondContact NH1-O 3.1Å; R557-R639 WeakPolarHBondContact CB-O 3.35Å; R557-R639 PolarHBondContact N-O 3.3Å; R557-T641 HydrophobicContact CB-CG2 3.66Å; R557-T641 HydrophobicContact CG-CG2 4.07Å
558	L	93.7	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-50.3	175.3	-77.7	85.2	0	0	0	109.6	Y539 F554 V555 E556 K561 G562 Y563 V565 V591 V596 F598	Y539-L558 HydrophobicContact CD1-CD2 3.7Å; Y539-L558 HydrophobicContact CD2-CD2 3.86Å; Y539-L558 HydrophobicContact CE1-CD2 4.23Å; Y539-L558 HydrophobicContact CE2-CD2 4.38Å; Y539-L558 HydrophobicContact CG-CD2 3.49Å; Y539-L558 VanDerWaalsContact CG-CD2 3.49Å; F554-L558 WeakPolarHBondContact O-CD1 3.48Å; V555-L558 WeakPolarHBondContact O-CB 3.47Å; V555-L558 PolarHBondContact O-N 2.83Å; E556-L558 VanDerWaalsContact C-N 3.33Å; E556-L558 PolarHBondContact O-N 3.13Å; L558-K561 CarbonylContact O-C 3.55Å; L558-K561 PolarHBondContact O-N 3.46Å; L558-G562 PolarHBondContact O-N 3.21Å; L558-Y563 PolarHBondContact O-N 3.42Å; L558-V565 HydrophobicContact CB-CG2 4.01Å; L558-V565 HydrophobicContact CD2-CG2 3.93Å; L558-V591 HydrophobicContact CD1-CG1 4.44Å; L558-V591 HydrophobicContact CD2-CG1 3.7Å; L558-V596 HydrophobicContact CD1-CG1 4.34Å; L558-F598 HydrophobicContact CD1-CE1 4.17Å; L558-F598 HydrophobicContact CD1-CZ 3.81Å; L558-F598 HydrophobicContact CG-CE1 4.01Å; L558-F598 HydrophobicContact CG-CZ 4.18Å
559	L	95	Very high	95.5	Very high	64 Å²	64	33.3 Å²	33.3	34%	0.335	18%	0.18	S	C	.	.	H	α-helix	trans	-63	-45.1	178	-61.6	-179.4	0	0	0	111.7	S515 V555 E556 K561 G562 V565	S515-L559 WeakPolarHBondContact OG-CD2 3.43Å; V555-L559 HydrophobicContact CB-CD1 4.11Å; V555-L559 HydrophobicContact CB-CG 4.19Å; V555-L559 HydrophobicContact CG2-CD1 3.78Å; V555-L559 HydrophobicContact CG2-CG 4.4Å; V555-L559 WeakPolarHBondContact O-CG 3.49Å; V555-L559 PolarHBondContact O-N 2.95Å; E556-L559 PolarHBondContact O-N 3.14Å; L559-K561 VanDerWaalsContact C-N 3.28Å; L559-K561 PolarHBondContact O-N 2.85Å; L559-G562 WeakPolarHBondContact O-CA 3.37Å; L559-G562 PolarHBondContact O-N 3.14Å; L559-V565 HydrophobicContact CD2-CG2 4.17Å
560	K	93.4	Very high	95.5	Very high	121 Å²	121	36.3 Å²	36.3	53%	0.526	19%	0.194	S	C	.	.	H	α-helix	trans	-61.9	-34.2	175.6	-75	-170.2	-174.5	168	0	113	E556 T641 E642	E556-K560 WeakPolarHBondContact O-CB 3.3Å; E556-K560 WeakPolarHBondContact O-CG 3.39Å; E556-K560 PolarHBondContact O-N 2.85Å; K560-T641 HydrophobicContact CD-CG2 3.87Å; K560-T641 WeakPolarHBondContact CE-OG1 3.42Å; K560-T641 PolarHBondContact NZ-OG1 3.2Å; K560-E642 IonicContact NZ-OE1 3.46Å; K560-E642 PolarHBondContact NZ-OE1 2.84Å
561	K	91.3	Very high	95.4	Very high	72 Å²	72	36.1 Å²	36.1	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-75.5	-14.1	172.3	-76.7	-169.5	173	-167.9	0	111.9	K532 R557 L558 L559 Y563 F598	K532-K561 VanDerWaalsContact NZ-C 3.33Å; K532-K561 PolarHBondContact NZ-O 2.83Å; R557-K561 HydrophobicContact CG-CG 4.48Å; R557-K561 WeakPolarHBondContact O-CB 3.36Å; R557-K561 WeakPolarHBondContact O-CG 3.44Å; R557-K561 PolarHBondContact O-N 3.06Å; L558-K561 CarbonylContact O-C 3.55Å; L558-K561 PolarHBondContact O-N 3.46Å; L559-K561 VanDerWaalsContact C-N 3.28Å; L559-K561 PolarHBondContact O-N 2.85Å; K561-Y563 HydrophobicContact CB-CD2 3.73Å; K561-Y563 HydrophobicContact CB-CE2 3.87Å; K561-Y563 HydrophobicContact CD-CE2 4.18Å; K561-F598 HydrophobicContact CD-CD1 3.7Å; K561-F598 HydrophobicContact CD-CE1 4.12Å; K561-F598 HydrophobicContact CD-CG 4.33Å; K561-F598 VanDerWaalsContact NZ-CB 3.28Å
562	G	93.5	Very high	95.4	Very high	49 Å²	49	32.9 Å²	32.9	51%	0.505	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	20.1	-179.3	0	0	0	0	0	114.5	K532 L558 L559	K532-G562 VanDerWaalsContact CE-C 3.47Å; K532-G562 WeakPolarHBondContact CE-O 3.45Å; K532-G562 PolarHBondContact NZ-O 3.15Å; K532-G562 VanDerWaalsContact NZ-O 3.12Å; L558-G562 PolarHBondContact O-N 3.21Å; L559-G562 WeakPolarHBondContact O-CA 3.37Å; L559-G562 PolarHBondContact O-N 3.14Å
563	Y	95.8	Very high	95.4	Very high	31 Å²	31	32.7 Å²	32.7	12%	0.122	18%	0.175	C	C	.	.			trans	-76.4	138.4	171.9	-72	-83.9	0	0	0	109.8	K532 Q535 Y539 L558 K561 F598	K532-Y563 HydrophobicContact CD-CD1 4.08Å; K532-Y563 HydrophobicContact CD-CE1 3.93Å; Q535-Y563 HydrophobicContact CB-CE1 4.36Å; Q535-Y563 HydrophobicContact CG-CD1 4.23Å; Q535-Y563 HydrophobicContact CG-CE1 4.06Å; Y539-Y563 HydrophobicContact CD2-CD1 4.29Å; Y539-Y563 AromaticContact CE2-CD1 3.7Å; Y539-Y563 HydrophobicContact CE2-CD1 3.7Å; Y539-Y563 HydrophobicContact CE2-CE1 4.14Å; Y539-Y563 HydrophobicContact CE2-CG 4.19Å; L558-Y563 PolarHBondContact O-N 3.42Å; K561-Y563 HydrophobicContact CB-CD2 3.73Å; K561-Y563 HydrophobicContact CB-CE2 3.87Å; K561-Y563 HydrophobicContact CD-CE2 4.18Å; Y563-F598 HydrophobicContact CE2-CD1 4.2Å
564	E	97.6	Very high	95.3	Very high	17 Å²	17	31.5 Å²	31.5	8%	0.079	17%	0.166	C	C	.	.			trans	-72.5	140.7	170.7	-168.4	174	162.5	0	0	110	S514 S515 H516 Y527 R530	S514-E564 WeakPolarHBondContact CB-OE1 3.35Å; S514-E564 WeakPolarHBondContact OG-CG 3.39Å; S514-E564 PolarHBondContact OG-OE1 2.93Å; S515-E564 WeakPolarHBondContact OG-CA 3.45Å; H516-E564 HydrophobicContact CB-CG 4.21Å; Y527-E564 HydrophobicContact CD2-CB 4.16Å; Y527-E564 VanDerWaalsContact CD2-CD 3.49Å; Y527-E564 HydrophobicContact CD2-CG 3.72Å; Y527-E564 WeakPolarHBondContact CD2-OE1 3.4Å; Y527-E564 HydrophobicContact CE2-CB 3.67Å; Y527-E564 HydrophobicContact CE2-CG 3.62Å; Y527-E564 PolarHBondContact OH-O 3.45Å; R530-E564 IonicContact CZ-OE1 2.72Å; R530-E564 IonicContact CZ-OE2 3.27Å; R530-E564 IonicContact NE-OE1 3.33Å; R530-E564 IonicContact NE-OE2 3.58Å; R530-E564 PolarHBondContact NE-OE2 3.12Å; R530-E564 IonicContact NH2-OE1 3.28Å; R530-E564 PolarHBondContact NH2-OE1 3.21Å; R530-E564 IonicContact NH2-OE2 3.76Å; R530-E564 PolarHBondContact NH2-OE2 2.96Å
565	V	98.1	Very high	95.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.			trans	-129.5	127	176.5	-177	0	0	0	0	109.2	S514 S515 M541 V555 L558 L559 Y567	S514-V565 CarbonylContact C-O 3.54Å; S514-V565 WeakPolarHBondContact CA-O 3.49Å; S515-V565 PolarHBondContact N-O 2.68Å; S515-V565 PolarHBondContact OG-N 2.78Å; M541-V565 HydrophobicContact CB-CG1 4.21Å; V555-V565 HydrophobicContact CG1-CG1 3.89Å; V555-V565 HydrophobicContact CG1-CG2 4.39Å; L558-V565 HydrophobicContact CB-CG2 4.01Å; L558-V565 HydrophobicContact CD2-CG2 3.93Å; L559-V565 HydrophobicContact CD2-CG2 4.17Å; V565-Y567 HydrophobicContact CB-CE1 4.5Å; V565-Y567 HydrophobicContact CG1-CE1 4.23Å
566	I	98.5	Very high	95.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	134.8	173	-66.2	177.6	0	0	0	109.8	F512 L524 Y527 I538 Y539 F540 M541 L568	F512-I566 HydrophobicContact CB-CG2 3.45Å; F512-I566 VanDerWaalsContact CB-CG2 3.45Å; F512-I566 HydrophobicContact CD1-CG2 4.48Å; F512-I566 HydrophobicContact CD2-CG2 4.22Å; F512-I566 HydrophobicContact CG-CG2 3.82Å; L524-I566 HydrophobicContact CD2-CD1 3.72Å; Y527-I566 HydrophobicContact CD2-CD1 3.89Å; Y527-I566 HydrophobicContact CD2-CG1 3.65Å; Y527-I566 HydrophobicContact CE2-CD1 4.26Å; Y527-I566 HydrophobicContact CE2-CG1 3.84Å; Y527-I566 HydrophobicContact CG-CD1 4.24Å; Y527-I566 HydrophobicContact CG-CG1 4.49Å; I538-I566 HydrophobicContact CG2-CD1 3.64Å; Y539-I566 PolarHBondContact O-N 2.83Å; F540-I566 CarbonylContact C-O 3.54Å; F540-I566 WeakPolarHBondContact CA-O 3.5Å; F540-I566 HydrophobicContact CB-CB 3.95Å; F540-I566 HydrophobicContact CB-CG2 4.37Å; M541-I566 PolarHBondContact N-O 2.97Å; I566-L568 HydrophobicContact CG2-CD2 3.69Å; I566-L568 HydrophobicContact CG2-CG 4.5Å
567	Y	98.3	Very high	95.4	Very high	6 Å²	6	31.8 Å²	31.8	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.4	174.9	-58.3	-56.6	0	0	0	110.6	Q513 S515 M541 A549 E550 V555 V565	Q513-Y567 PolarHBondContact O-N 3.27Å; S515-Y567 WeakPolarHBondContact CB-OH 3.3Å; S515-Y567 VanDerWaalsContact N-CE2 3.33Å; M541-Y567 HydrophobicContact CB-CD1 4.27Å; A549-Y567 HydrophobicContact CB-CD1 3.73Å; A549-Y567 HydrophobicContact CB-CE1 4.47Å; A549-Y567 HydrophobicContact CB-CG 4.31Å; E550-Y567 HydrophobicContact CB-CE1 4.1Å; E550-Y567 HydrophobicContact CB-CE2 4.03Å; V555-Y567 HydrophobicContact CG1-CE1 4.37Å; V565-Y567 HydrophobicContact CB-CE1 4.5Å; V565-Y567 HydrophobicContact CG1-CE1 4.23Å
568	L	97.9	Very high	95.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.3	176	-52.9	-175.4	0	0	0	108.5	F512 F540 M541 A542 G543 I566 D573 I577	F512-L568 HydrophobicContact CD1-CD2 3.43Å; F512-L568 VanDerWaalsContact CD1-CD2 3.43Å; F512-L568 HydrophobicContact CE1-CD2 3.64Å; F512-L568 HydrophobicContact CG-CD2 4.04Å; F512-L568 HydrophobicContact CZ-CD2 4.38Å; F540-L568 HydrophobicContact CD2-CD1 3.38Å; F540-L568 HydrophobicContact CD2-CG 4.1Å; F540-L568 HydrophobicContact CE2-CD1 3.78Å; F540-L568 HydrophobicContact CG-CD1 4.21Å; M541-L568 PolarHBondContact O-N 3.01Å; A542-L568 WeakPolarHBondContact CA-O 3.49Å; A542-L568 HydrophobicContact CB-CB 3.97Å; A542-L568 HydrophobicContact CB-CD1 4.28Å; G543-L568 PolarHBondContact N-O 3.39Å; I566-L568 HydrophobicContact CG2-CD2 3.69Å; I566-L568 HydrophobicContact CG2-CG 4.5Å; L568-D573 WeakPolarHBondContact CA-OD2 3.46Å; L568-D573 HydrophobicContact CB-CB 3.62Å; L568-D573 HydrophobicContact CD1-CB 4.05Å; L568-D573 HydrophobicContact CD2-CB 4.07Å; L568-D573 HydrophobicContact CG-CB 4.11Å; L568-I577 HydrophobicContact CD1-CB 4.43Å; L568-I577 HydrophobicContact CD1-CG1 3.74Å; L568-I577 HydrophobicContact CD2-CG1 4.33Å
569	T	96.3	Very high	95.4	Very high	34 Å²	34	37.8 Å²	37.8	21%	0.209	20%	0.2	C	C	.	.			trans	-123.1	-9.5	-169.4	58.2	0	0	0	0	113.1	R546 D573	R546-T569 HydrophobicContact CB-CG2 4.13Å; T569-D573 PolarHBondContact N-OD2 3.22Å
570	E	95.4	Very high	95.4	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.294	19%	0.185	S	C	.	.	S	Bend	trans	-104.6	146.1	175.8	-68	169.6	-135.9	0	0	111	K493 V572 D573	K493-E570 IonicContact NZ-OE1 3.36Å; K493-E570 PolarHBondContact NZ-OE1 3.27Å; K493-E570 IonicContact NZ-OE2 2.98Å; K493-E570 PolarHBondContact NZ-OE2 3.04Å; E570-V572 HydrophobicContact CB-CG1 4.26Å; E570-V572 PolarHBondContact O-N 2.84Å; E570-D573 PolarHBondContact N-OD2 2.8Å; E570-D573 VanDerWaalsContact O-CB 3.27Å; E570-D573 WeakPolarHBondContact O-CB 3.33Å; E570-D573 PolarHBondContact O-N 2.91Å
571	P	93.1	Very high	95.3	Very high	74 Å²	74	33.8 Å²	33.8	48%	0.481	19%	0.189	S	C	.	.	H	α-helix	trans	-55.5	-35.8	178.3	-28.7	36.3	0	0	0	114.6	D573 I661	P571-D573 VanDerWaalsContact C-N 3.26Å; P571-D573 PolarHBondContact O-N 2.82Å; P571-I661 HydrophobicContact CB-CD1 4.03Å; P571-I661 HydrophobicContact CB-CG1 4.11Å; P571-I661 HydrophobicContact CB-CG2 4.43Å; P571-I661 WeakPolarHBondContact O-CD1 3.49Å
572	V	95.3	Very high	95.5	Very high	22 Å²	22	34.8 Å²	34.8	13%	0.133	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-21.2	-179.1	68.6	0	0	0	0	112.9	T490 K493 L494 I497 E570 E574 Y575 C576	T490-V572 HydrophobicContact CG2-CG1 4.33Å; K493-V572 HydrophobicContact CB-CG1 4.17Å; K493-V572 HydrophobicContact CB-CG2 4.17Å; K493-V572 HydrophobicContact CD-CG1 3.58Å; L494-V572 HydrophobicContact CD2-CG2 3.98Å; L494-V572 HydrophobicContact CG-CG2 4.45Å; I497-V572 HydrophobicContact CD1-CG2 4.04Å; E570-V572 HydrophobicContact CB-CG1 4.26Å; E570-V572 PolarHBondContact O-N 2.84Å; V572-E574 VanDerWaalsContact C-N 3.33Å; V572-E574 PolarHBondContact O-N 3.38Å; V572-Y575 PolarHBondContact O-N 3.02Å; V572-C576 WeakPolarHBondContact O-CB 3.49Å; V572-C576 PolarHBondContact O-N 3.14Å
573	D	96.6	Very high	95.7	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-42.4	-173.8	-71.7	-25.2	0	0	0	112.2	K493 L568 T569 E570 P571 Y575 C576 I577	K493-D573 VanDerWaalsContact CD-OD1 3.23Å; K493-D573 WeakPolarHBondContact CD-OD1 3.45Å; K493-D573 WeakPolarHBondContact CE-OD1 3.35Å; K493-D573 IonicContact NZ-OD1 3.59Å; K493-D573 PolarHBondContact NZ-OD1 2.98Å; K493-D573 IonicContact NZ-OD2 3.09Å; L568-D573 WeakPolarHBondContact CA-OD2 3.46Å; L568-D573 HydrophobicContact CB-CB 3.62Å; L568-D573 HydrophobicContact CD1-CB 4.05Å; L568-D573 HydrophobicContact CD2-CB 4.07Å; L568-D573 HydrophobicContact CG-CB 4.11Å; T569-D573 PolarHBondContact N-OD2 3.22Å; E570-D573 PolarHBondContact N-OD2 2.8Å; E570-D573 VanDerWaalsContact O-CB 3.27Å; E570-D573 WeakPolarHBondContact O-CB 3.33Å; E570-D573 PolarHBondContact O-N 2.91Å; P571-D573 VanDerWaalsContact C-N 3.26Å; P571-D573 PolarHBondContact O-N 2.82Å; D573-Y575 PolarHBondContact O-N 2.98Å; D573-C576 WeakPolarHBondContact O-CB 3.48Å; D573-C576 PolarHBondContact O-N 3.38Å; D573-I577 WeakPolarHBondContact O-CG1 3.36Å; D573-I577 PolarHBondContact O-N 3.35Å
574	E	93.3	Very high	95.6	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-70.1	-35.2	-176.2	-162.3	169.5	-179.4	0	0	111.5	V572 Q578 S655 N657 M658	V572-E574 VanDerWaalsContact C-N 3.33Å; V572-E574 PolarHBondContact O-N 3.38Å; E574-Q578 VanDerWaalsContact O-CB 3.25Å; E574-Q578 WeakPolarHBondContact O-CB 3.29Å; E574-Q578 PolarHBondContact O-N 3.24Å; E574-S655 VanDerWaalsContact CD-OG 3.22Å; E574-S655 VanDerWaalsContact OE1-CB 3.25Å; E574-S655 WeakPolarHBondContact OE1-CB 3.06Å; E574-S655 PolarHBondContact OE1-OG 2.83Å; E574-S655 PolarHBondContact OE2-OG 3.14Å; E574-S655 VanDerWaalsContact OE2-OG 3.12Å; E574-N657 PolarHBondContact OE2-ND2 3.43Å; E574-M658 HydrophobicContact CB-CE 3.77Å; E574-M658 HydrophobicContact CG-CE 3.63Å; E574-M658 PolarHBondContact OE2-N 3.41Å; E574-M658 VanDerWaalsContact OE2-N 3.14Å
575	Y	93.8	Very high	95.4	Very high	55 Å²	55	37.5 Å²	37.5	22%	0.216	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-41.4	169.8	-65.6	-82.3	0	0	0	111.9	V572 D573 Q578 A579 M658 I661 M662 Q665	V572-Y575 PolarHBondContact O-N 3.02Å; D573-Y575 PolarHBondContact O-N 2.98Å; Y575-Q578 PolarHBondContact O-N 2.76Å; Y575-A579 WeakPolarHBondContact O-CB 3.35Å; Y575-A579 PolarHBondContact O-N 3.34Å; Y575-M658 HydrophobicContact CD1-CE 4.2Å; Y575-M658 HydrophobicContact CD2-CE 4.35Å; Y575-M658 HydrophobicContact CE1-CE 4.15Å; Y575-M658 HydrophobicContact CE1-SD 4.04Å; Y575-M658 HydrophobicContact CE2-CE 4.31Å; Y575-M658 HydrophobicContact CE2-SD 4.24Å; Y575-M658 HydrophobicContact CG-CE 4.31Å; Y575-I661 HydrophobicContact CE2-CG2 3.9Å; Y575-M662 HydrophobicContact CE1-CE 3.49Å; Y575-M662 VanDerWaalsContact CE1-CE 3.49Å; Y575-M662 WeakPolarHBondContact OH-CE 3.27Å; Y575-M662 PolarHBondContact OH-SD 2.9Å; Y575-Q665 PolarHBondContact OH-NE2 3.31Å
576	C	96.9	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-49.6	177.9	177.7	0	0	0	0	111.3	K493 V572 D573 A579 L580	K493-C576 HydrophobicContact CB-CB 4.09Å; K493-C576 HydrophobicContact CG-CB 4.42Å; V572-C576 WeakPolarHBondContact O-CB 3.49Å; V572-C576 PolarHBondContact O-N 3.14Å; D573-C576 WeakPolarHBondContact O-CB 3.48Å; D573-C576 PolarHBondContact O-N 3.38Å; C576-A579 PolarHBondContact O-N 3.44Å; C576-L580 PolarHBondContact O-N 2.86Å
577	I	96.2	Very high	95.2	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.041	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-36.3	178	-62.3	-56.8	0	0	0	111.3	F512 F540 L568 D573 A579 L580 F588	F512-I577 HydrophobicContact CE2-CD1 4.1Å; F512-I577 HydrophobicContact CZ-CD1 3.88Å; F540-I577 HydrophobicContact CD1-CG2 4.11Å; F540-I577 HydrophobicContact CE1-CG2 3.6Å; F540-I577 HydrophobicContact CE2-CG2 4.19Å; F540-I577 HydrophobicContact CZ-CB 4.47Å; F540-I577 HydrophobicContact CZ-CG2 3.61Å; L568-I577 HydrophobicContact CD1-CB 4.43Å; L568-I577 HydrophobicContact CD1-CG1 3.74Å; L568-I577 HydrophobicContact CD2-CG1 4.33Å; D573-I577 WeakPolarHBondContact O-CG1 3.36Å; D573-I577 PolarHBondContact O-N 3.35Å; I577-A579 VanDerWaalsContact C-N 3.29Å; I577-A579 PolarHBondContact O-N 2.86Å; I577-L580 CarbonylContact O-C 3.49Å; I577-L580 PolarHBondContact O-N 3.37Å; I577-L580 VanDerWaalsContact O-N 3.08Å; I577-F588 HydrophobicContact CD1-CD1 4.24Å; I577-F588 HydrophobicContact CD1-CE1 3.98Å; I577-F588 HydrophobicContact CD1-CZ 4.45Å; I577-F588 HydrophobicContact CG2-CB 3.82Å; I577-F588 HydrophobicContact CG2-CD1 3.89Å; I577-F588 HydrophobicContact CG2-CD2 4.46Å; I577-F588 HydrophobicContact CG2-CG 3.8Å
578	Q	92.4	Very high	95.1	Very high	140 Å²	140	48.6 Å²	48.6	65%	0.654	26%	0.258	S	S	*	.	H	α-helix	trans	-63.8	-34.3	175.2	-175.6	175.4	-7.7	0	0	112.7	E574 Y575 L580	E574-Q578 VanDerWaalsContact O-CB 3.25Å; E574-Q578 WeakPolarHBondContact O-CB 3.29Å; E574-Q578 PolarHBondContact O-N 3.24Å; Y575-Q578 PolarHBondContact O-N 2.76Å; Q578-L580 VanDerWaalsContact C-N 3.25Å; Q578-L580 PolarHBondContact O-N 3.06Å
579	A	95.4	Very high	95	Very high	22 Å²	22	49.8 Å²	49.8	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-74.7	-14.4	174.9	0	0	0	0	0	113.3	I497 R503 Y575 C576 I577 P581	I497-A579 HydrophobicContact CB-CB 4.4Å; I497-A579 HydrophobicContact CG1-CB 4.1Å; R503-A579 WeakPolarHBondContact CD-O 3.36Å; R503-A579 PolarHBondContact NE-O 3.16Å; R503-A579 PolarHBondContact NH1-O 3.18Å; Y575-A579 WeakPolarHBondContact O-CB 3.35Å; Y575-A579 PolarHBondContact O-N 3.34Å; C576-A579 PolarHBondContact O-N 3.44Å; I577-A579 VanDerWaalsContact C-N 3.29Å; I577-A579 PolarHBondContact O-N 2.86Å; A579-P581 WeakPolarHBondContact O-CD 3.17Å
580	L	95.4	Very high	95	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.037	26%	0.255	C	S	.	.			trans	-105.4	97	-177.8	-171.6	63.6	0	0	0	110.8	V496 R503 A507 L510 L524 C576 I577 Q578 E582 F588	V496-L580 HydrophobicContact CG1-CB 4.23Å; R503-L580 HydrophobicContact CG-CD1 3.87Å; A507-L580 HydrophobicContact CB-CD1 3.92Å; A507-L580 HydrophobicContact CB-CD2 3.91Å; L510-L580 HydrophobicContact CD1-CD2 4.15Å; L524-L580 HydrophobicContact CD1-CD2 4.12Å; C576-L580 PolarHBondContact O-N 2.86Å; I577-L580 CarbonylContact O-C 3.49Å; I577-L580 PolarHBondContact O-N 3.37Å; I577-L580 VanDerWaalsContact O-N 3.08Å; Q578-L580 VanDerWaalsContact C-N 3.25Å; Q578-L580 PolarHBondContact O-N 3.06Å; L580-E582 PolarHBondContact O-N 2.8Å; L580-F588 HydrophobicContact CB-CE2 4.32Å; L580-F588 HydrophobicContact CD2-CE2 3.59Å; L580-F588 HydrophobicContact CD2-CZ 3.59Å; L580-F588 HydrophobicContact CG-CE2 3.7Å; L580-F588 HydrophobicContact CG-CZ 4.24Å; L580-F588 VanDerWaalsContact O-CD2 3.31Å; L580-F588 WeakPolarHBondContact O-CD2 3.49Å
581	P	90.6	Very high	95	Very high	93 Å²	93	45.6 Å²	45.6	60%	0.604	24%	0.241	S	C	*	.			trans	-65.9	-39.1	-171.8	25	-33.9	0	0	0	113.2	A579	A579-P581 WeakPolarHBondContact O-CD 3.17Å
582	E	95.1	Very high	95.1	Very high	94 Å²	94	42.5 Å²	42.5	44%	0.439	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160.5	179.3	60.1	-176.5	-147.8	0	0	111	L580 K586 R587	L580-E582 PolarHBondContact O-N 2.8Å; E582-K586 CarbonylContact C-O 3.55Å; E582-K586 VanDerWaalsContact CA-O 3.25Å; E582-K586 WeakPolarHBondContact CA-O 3.43Å; E582-K586 WeakPolarHBondContact CB-O 3.34Å; E582-R587 HydrophobicContact CB-CG 4.32Å
583	F	97.3	Very high	95.1	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.5	174.2	-175.7	-90.2	0	0	0	108.5	A507 K508 L524 D525 V528 I538 G585 K586 F588	A507-F583 HydrophobicContact CB-CD2 3.78Å; A507-F583 HydrophobicContact CB-CE2 3.89Å; K508-F583 HydrophobicContact CG-CE2 3.94Å; K508-F583 HydrophobicContact CG-CZ 4.1Å; L524-F583 HydrophobicContact CB-CD1 3.74Å; L524-F583 HydrophobicContact CB-CD2 4.14Å; L524-F583 HydrophobicContact CB-CE1 3.51Å; L524-F583 HydrophobicContact CB-CE2 3.91Å; L524-F583 HydrophobicContact CB-CG 4.05Å; L524-F583 HydrophobicContact CB-CZ 3.58Å; L524-F583 HydrophobicContact CD1-CB 4.35Å; L524-F583 HydrophobicContact CD1-CD1 4.41Å; L524-F583 HydrophobicContact CD1-CD2 3.59Å; L524-F583 HydrophobicContact CD1-CE2 3.91Å; L524-F583 HydrophobicContact CD1-CG 3.86Å; L524-F583 HydrophobicContact CD1-CZ 4.45Å; D525-F583 VanDerWaalsContact OD1-CZ 3.28Å; D525-F583 WeakPolarHBondContact OD1-CZ 2.9Å; V528-F583 HydrophobicContact CG2-CD1 4.03Å; V528-F583 HydrophobicContact CG2-CE1 4.29Å; I538-F583 HydrophobicContact CD1-CB 4.08Å; F583-G585 PolarHBondContact O-N 3.24Å; F583-G585 VanDerWaalsContact O-N 3.13Å; F583-K586 PolarHBondContact N-O 2.88Å; F583-K586 WeakPolarHBondContact O-CB 3.15Å; F583-K586 PolarHBondContact O-N 2.93Å; F583-F588 HydrophobicContact CB-CE2 3.87Å; F583-F588 HydrophobicContact CB-CZ 3.76Å
584	D	94.4	Very high	94.8	Very high	92 Å²	92	45.3 Å²	45.3	49%	0.492	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	42.8	-175.3	-72.7	-2.2	0	0	0	113.9	K586	D584-K586 PolarHBondContact O-N 3.27Å
585	G	93.9	Very high	94.5	Very high	55 Å²	55	46.8 Å²	46.8	57%	0.567	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	3.9	-179.7	0	0	0	0	0	115.1	F583	F583-G585 PolarHBondContact O-N 3.24Å; F583-G585 VanDerWaalsContact O-N 3.13Å
586	K	95.9	Very high	94.2	Very high	61 Å²	61	44.7 Å²	44.7	27%	0.265	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.3	176.9	-53	-60.7	-173.6	167.1	0	110.2	M531 Q535 I538 E582 F583 D584	M531-K586 HydrophobicContact CE-CD 3.92Å; M531-K586 HydrophobicContact CE-CG 4.03Å; M531-K586 HydrophobicContact SD-CD 4.41Å; M531-K586 HydrophobicContact SD-CG 4Å; Q535-K586 PolarHBondContact O-NZ 3.22Å; I538-K586 HydrophobicContact CD1-CB 4.05Å; I538-K586 HydrophobicContact CG1-CB 3.92Å; E582-K586 CarbonylContact C-O 3.55Å; E582-K586 VanDerWaalsContact CA-O 3.25Å; E582-K586 WeakPolarHBondContact CA-O 3.43Å; E582-K586 WeakPolarHBondContact CB-O 3.34Å; F583-K586 PolarHBondContact N-O 2.88Å; F583-K586 WeakPolarHBondContact O-CB 3.15Å; F583-K586 PolarHBondContact O-N 2.93Å; D584-K586 PolarHBondContact O-N 3.27Å
587	R	95.8	Very high	93.6	Very high	151 Å²	151	52.5 Å²	52.5	57%	0.57	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	146.7	177.5	-66	-170.9	-177.5	178.7	0.8	111.1	K537 I538 E582	K537-R587 VanDerWaalsContact CA-O 3.27Å; K537-R587 WeakPolarHBondContact CA-O 3.34Å; K537-R587 HydrophobicContact CD-CB 3.96Å; I538-R587 PolarHBondContact N-O 2.81Å; E582-R587 HydrophobicContact CB-CG 4.32Å
588	F	96.4	Very high	92.9	Very high	29 Å²	29	53 Å²	53	13%	0.127	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.1	172.5	-65	-89	0	0	0	111	L524 I538 F540 I577 L580 F583	L524-F588 HydrophobicContact CD1-CZ 4Å; L524-F588 HydrophobicContact CD2-CE1 4.07Å; L524-F588 HydrophobicContact CD2-CZ 4.34Å; I538-F588 HydrophobicContact CB-CD1 3.91Å; I538-F588 HydrophobicContact CB-CE1 4.12Å; I538-F588 HydrophobicContact CD1-CD1 4.43Å; I538-F588 HydrophobicContact CD1-CE1 3.91Å; I538-F588 HydrophobicContact CD1-CZ 3.99Å; I538-F588 HydrophobicContact CG2-CD1 3.79Å; I538-F588 HydrophobicContact CG2-CE1 3.79Å; I538-F588 CarbonylContact O-C 3.43Å; I538-F588 WeakPolarHBondContact O-CA 3.36Å; F540-F588 HydrophobicContact CD1-CB 4.09Å; F540-F588 HydrophobicContact CD1-CD1 4.4Å; F540-F588 HydrophobicContact CE1-CB 3.76Å; I577-F588 HydrophobicContact CD1-CD1 4.24Å; I577-F588 HydrophobicContact CD1-CE1 3.98Å; I577-F588 HydrophobicContact CD1-CZ 4.45Å; I577-F588 HydrophobicContact CG2-CB 3.82Å; I577-F588 HydrophobicContact CG2-CD1 3.89Å; I577-F588 HydrophobicContact CG2-CD2 4.46Å; I577-F588 HydrophobicContact CG2-CG 3.8Å; L580-F588 HydrophobicContact CB-CE2 4.32Å; L580-F588 HydrophobicContact CD2-CE2 3.59Å; L580-F588 HydrophobicContact CD2-CZ 3.59Å; L580-F588 HydrophobicContact CG-CE2 3.7Å; L580-F588 HydrophobicContact CG-CZ 4.24Å; L580-F588 VanDerWaalsContact O-CD2 3.31Å; L580-F588 WeakPolarHBondContact O-CD2 3.49Å; F583-F588 HydrophobicContact CB-CE2 3.87Å; F583-F588 HydrophobicContact CB-CZ 3.76Å
589	Q	96.1	Very high	92.1	Very high	26 Å²	26	51.4 Å²	51.4	12%	0.121	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.1	176.4	176.9	63.2	59.2	0	0	109.6	K537 I538 Y539 F540 V591 E594 V596	K537-Q589 HydrophobicContact CB-CB 3.92Å; K537-Q589 HydrophobicContact CG-CB 4.2Å; I538-Q589 PolarHBondContact O-N 3.05Å; Y539-Q589 WeakPolarHBondContact CA-O 3.42Å; Y539-Q589 HydrophobicContact CD1-CB 4Å; Y539-Q589 HydrophobicContact CD1-CG 4Å; Y539-Q589 HydrophobicContact CE1-CB 4.28Å; Y539-Q589 HydrophobicContact CE1-CG 4.11Å; F540-Q589 WeakPolarHBondContact CD1-O 3.42Å; F540-Q589 VanDerWaalsContact CE1-C 3.48Å; F540-Q589 PolarHBondContact N-O 3.29Å; F540-Q589 VanDerWaalsContact N-O 3.09Å; Q589-V591 PolarHBondContact O-N 2.93Å; Q589-E594 PolarHBondContact NE2-O 3.35Å; Q589-E594 VanDerWaalsContact NE2-O 3.14Å; Q589-V596 HydrophobicContact CG-CG2 4.01Å
590	N	96.3	Very high	91.1	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.5	172.3	-169	-35.7	0	0	0	109	F540 A592 K593	F540-N590 HydrophobicContact CE1-CB 3.88Å; F540-N590 VanDerWaalsContact CE1-N 3.3Å; F540-N590 HydrophobicContact CE2-CB 3.78Å; F540-N590 HydrophobicContact CZ-CB 3.44Å; F540-N590 VanDerWaalsContact CZ-CB 3.44Å; F540-N590 WeakPolarHBondContact O-CA 3.47Å; N590-A592 PolarHBondContact O-N 3.4Å; N590-A592 WeakPolarHBondContact OD1-CB 3.47Å; N590-A592 PolarHBondContact OD1-N 2.91Å; N590-K593 HydrophobicContact CB-CB 4.21Å; N590-K593 HydrophobicContact CB-CD 4.18Å; N590-K593 HydrophobicContact CB-CG 3.94Å; N590-K593 PolarHBondContact O-N 3.15Å
591	V	95.8	Very high	90.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.6	-178.9	-57.7	0	0	0	0	113.3	Y539 F540 M541 F554 V555 L558 Q589 K593 R639	Y539-V591 HydrophobicContact CD1-CG1 4.32Å; F540-V591 WeakPolarHBondContact O-CG2 3.34Å; F540-V591 PolarHBondContact O-N 3.48Å; M541-V591 HydrophobicContact CB-CG2 3.68Å; M541-V591 HydrophobicContact CG-CG2 4.18Å; M541-V591 HydrophobicContact SD-CG2 3.77Å; F554-V591 HydrophobicContact CB-CB 4.21Å; F554-V591 HydrophobicContact CB-CG2 3.73Å; V555-V591 HydrophobicContact CG1-CG2 3.91Å; L558-V591 HydrophobicContact CD1-CG1 4.44Å; L558-V591 HydrophobicContact CD2-CG1 3.7Å; Q589-V591 PolarHBondContact O-N 2.93Å; V591-K593 VanDerWaalsContact C-N 3.32Å; V591-R639 PolarHBondContact O-NH1 3.26Å
592	A	94.8	Very high	90.2	Very high	10 Å²	10	57 Å²	57	8%	0.083	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.1	173	0	0	0	0	0	113.2	M541 F554 N590 A649	M541-A592 HydrophobicContact SD-CB 4.12Å; F554-A592 HydrophobicContact CD2-CB 3.77Å; F554-A592 HydrophobicContact CE2-CB 3.91Å; F554-A592 HydrophobicContact CG-CB 4.16Å; F554-A592 HydrophobicContact CZ-CB 4.38Å; N590-A592 PolarHBondContact O-N 3.4Å; N590-A592 WeakPolarHBondContact OD1-CB 3.47Å; N590-A592 PolarHBondContact OD1-N 2.91Å; A592-A649 PolarHBondContact O-N 3Å
593	K	94.1	Very high	89.7	Confident	37 Å²	37	60.6 Å²	60.6	16%	0.161	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-109.3	164.6	176.6	-63.3	-166.5	-177.1	-165.9	0	112.5	N590 V591 R639 V648 A649 G653	N590-K593 HydrophobicContact CB-CB 4.21Å; N590-K593 HydrophobicContact CB-CD 4.18Å; N590-K593 HydrophobicContact CB-CG 3.94Å; N590-K593 PolarHBondContact O-N 3.15Å; V591-K593 VanDerWaalsContact C-N 3.32Å; K593-R639 PolarHBondContact O-NH1 2.81Å; K593-R639 PolarHBondContact O-NH2 3.5Å; K593-V648 VanDerWaalsContact C-CG1 3.44Å; K593-A649 CarbonylContact C-O 3.51Å; K593-A649 VanDerWaalsContact CA-O 3.26Å; K593-A649 WeakPolarHBondContact CA-O 3.27Å; K593-A649 HydrophobicContact CG-CB 4.21Å; K593-G653 VanDerWaalsContact CE-O 3.23Å; K593-G653 WeakPolarHBondContact CE-O 3.45Å; K593-G653 PolarHBondContact NZ-O 2.9Å
594	E	90.9	Very high	89.1	Confident	47 Å²	47	62.9 Å²	62.9	22%	0.22	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	155.7	167.6	-65	-167.6	165.7	0	0	111.6	Q589 K633 V648 A649 T684	Q589-E594 PolarHBondContact NE2-O 3.35Å; Q589-E594 VanDerWaalsContact NE2-O 3.14Å; E594-K633 WeakPolarHBondContact OE1-CE 3.4Å; E594-K633 IonicContact OE1-NZ 3.2Å; E594-K633 PolarHBondContact OE1-NZ 3.29Å; E594-K633 IonicContact OE2-NZ 2.88Å; E594-K633 PolarHBondContact OE2-NZ 3.29Å; E594-V648 HydrophobicContact CG-CG1 3.84Å; E594-A649 PolarHBondContact N-O 3.02Å; E594-T684 PolarHBondContact OE1-OG1 3.02Å
595	G	86.3	Confident	88.7	Confident	39 Å²	39	62.7 Å²	62.7	40%	0.402	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	107.1	-6.1	176.1	0	0	0	0	0	115.9	K597	G595-K597 PolarHBondContact O-N 3.06Å
596	V	88.5	Confident	88.5	Confident	12 Å²	12	65.9 Å²	65.9	7%	0.073	32%	0.321	C	S	.	.			trans	-66.1	115.2	171.5	-178	0	0	0	0	109.2	L558 Q589 F598	L558-V596 HydrophobicContact CD1-CG1 4.34Å; Q589-V596 HydrophobicContact CG-CG2 4.01Å; V596-F598 HydrophobicContact CG1-CE1 4.5Å; V596-F598 HydrophobicContact CG1-CE2 4.03Å; V596-F598 HydrophobicContact CG1-CZ 3.9Å
597	K	83.2	Confident	88	Confident	164 Å²	164	66.5 Å²	66.5	71%	0.713	33%	0.333	S	S	*	.			trans	-119.2	143.4	175.7	-64.8	-178.9	-177.7	-177.9	0	109.2	G595	G595-K597 PolarHBondContact O-N 3.06Å
598	F	81.6	Confident	87.6	Confident	18 Å²	18	62.1 Å²	62.1	8%	0.079	32%	0.316	C	S	.	.			trans	-110.2	145.9	171.3	-59.8	-78.6	0	0	0	109.6	R557 L558 K561 Y563 V596 E600 Q638	R557-F598 HydrophobicContact CB-CZ 4.32Å; R557-F598 HydrophobicContact CG-CZ 4.41Å; L558-F598 HydrophobicContact CD1-CE1 4.17Å; L558-F598 HydrophobicContact CD1-CZ 3.81Å; L558-F598 HydrophobicContact CG-CE1 4.01Å; L558-F598 HydrophobicContact CG-CZ 4.18Å; K561-F598 HydrophobicContact CD-CD1 3.7Å; K561-F598 HydrophobicContact CD-CE1 4.12Å; K561-F598 HydrophobicContact CD-CG 4.33Å; K561-F598 VanDerWaalsContact NZ-CB 3.28Å; Y563-F598 HydrophobicContact CE2-CD1 4.2Å; V596-F598 HydrophobicContact CG1-CE1 4.5Å; V596-F598 HydrophobicContact CG1-CE2 4.03Å; V596-F598 HydrophobicContact CG1-CZ 3.9Å; F598-E600 HydrophobicContact CB-CG 4.17Å; F598-E600 PolarHBondContact O-N 3.1Å; F598-Q638 HydrophobicContact CD2-CB 4.41Å; F598-Q638 HydrophobicContact CE2-CB 4.36Å; F598-Q638 WeakPolarHBondContact CE2-O 3.5Å
599	D	75.3	Confident	87.2	Confident	107 Å²	107	64.7 Å²	64.7	57%	0.572	33%	0.329	S	S	*	.			trans	-65.5	124	163.2	-161.2	2.9	0	0	0	107.5	K534	K534-D599 IonicContact NZ-OD2 2.66Å
600	E	75.7	Confident	87	Confident	40 Å²	40	66.3 Å²	66.3	19%	0.187	35%	0.346	C	S	.	.			trans	-134.4	138.6	-175.6	-68.9	-164.8	150.9	0	0	109.1	R557 F598 T604 R608	R557-E600 IonicContact CZ-OE1 3.51Å; R557-E600 IonicContact NH1-OE1 3.13Å; R557-E600 IonicContact NH2-OE1 2.89Å; R557-E600 PolarHBondContact NH2-OE1 2.92Å; F598-E600 HydrophobicContact CB-CG 4.17Å; F598-E600 PolarHBondContact O-N 3.1Å; E600-T604 HydrophobicContact CB-CG2 4.21Å; E600-T604 HydrophobicContact CG-CG2 4.14Å; E600-R608 IonicContact OE2-NE 2.56Å
601	S	82.4	Confident	86.8	Confident	69 Å²	69	67.5 Å²	67.5	48%	0.483	35%	0.354	S	S	.	.			trans	-69.8	155.9	172.5	61.5	0	0	0	0	111	K603 T604 K605	S601-K603 PolarHBondContact O-N 3.21Å; S601-T604 WeakPolarHBondContact O-CA 3.44Å; S601-T604 WeakPolarHBondContact O-CB 3.41Å; S601-T604 PolarHBondContact O-N 3.46Å; S601-T604 PolarHBondContact OG-N 3.49Å; S601-T604 PolarHBondContact OG-OG1 3.46Å; S601-K605 PolarHBondContact O-N 2.85Å
602	E	84.4	Confident	86.6	Confident	130 Å²	130	70.5 Å²	70.5	61%	0.607	37%	0.368	S	S	*	.	H	α-helix	trans	-47.9	-45.8	174.7	-78.5	-66.2	158.1	0	0	112	T604 K605 E606	E602-T604 VanDerWaalsContact C-N 3.31Å; E602-T604 PolarHBondContact O-N 3.01Å; E602-K605 WeakPolarHBondContact O-CB 3.33Å; E602-K605 PolarHBondContact O-N 3.13Å; E602-K605 VanDerWaalsContact O-N 3.09Å; E602-E606 WeakPolarHBondContact O-CG 3.33Å; E602-E606 PolarHBondContact O-N 3.27Å
603	K	85.4	Confident	86.5	Confident	169 Å²	169	77.2 Å²	77.2	74%	0.735	40%	0.396	S	S	*	.	H	α-helix	trans	-60.1	-36.3	176.5	-173.7	174.4	179	176.1	0	113.8	S601 S607	S601-K603 PolarHBondContact O-N 3.21Å; K603-S607 WeakPolarHBondContact O-CB 3.46Å; K603-S607 PolarHBondContact O-N 3.18Å; K603-S607 VanDerWaalsContact O-N 3.14Å
604	T	84.2	Confident	86.5	Confident	56 Å²	56	80.2 Å²	80.2	34%	0.344	41%	0.41	S	S	.	.	H	α-helix	trans	-71.7	-36.9	177.6	-52.8	0	0	0	0	110.6	E600 S601 E602 R608	E600-T604 HydrophobicContact CB-CG2 4.21Å; E600-T604 HydrophobicContact CG-CG2 4.14Å; S601-T604 WeakPolarHBondContact O-CA 3.44Å; S601-T604 WeakPolarHBondContact O-CB 3.41Å; S601-T604 PolarHBondContact O-N 3.46Å; S601-T604 PolarHBondContact OG-N 3.49Å; S601-T604 PolarHBondContact OG-OG1 3.46Å; E602-T604 VanDerWaalsContact C-N 3.31Å; E602-T604 PolarHBondContact O-N 3.01Å; T604-R608 WeakPolarHBondContact O-CB 3.44Å; T604-R608 PolarHBondContact O-N 3.13Å
605	K	86.1	Confident	86.7	Confident	88 Å²	88	78.1 Å²	78.1	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-66.2	-47.1	176.6	-173.5	-174.6	171.7	-163.4	0	111.7	S601 E602 S607 R608 E609	S601-K605 PolarHBondContact O-N 2.85Å; E602-K605 WeakPolarHBondContact O-CB 3.33Å; E602-K605 PolarHBondContact O-N 3.13Å; E602-K605 VanDerWaalsContact O-N 3.09Å; K605-S607 PolarHBondContact O-N 3.32Å; K605-R608 WeakPolarHBondContact O-CB 3.5Å; K605-R608 PolarHBondContact O-N 3.12Å; K605-R608 VanDerWaalsContact O-N 3.12Å; K605-E609 WeakPolarHBondContact CE-OE1 3.26Å; K605-E609 WeakPolarHBondContact O-CG 3.3Å; K605-E609 PolarHBondContact O-N 3.35Å
606	E	88.5	Confident	87.1	Confident	122 Å²	122	81.3 Å²	81.3	57%	0.57	41%	0.405	S	S	*	.	H	α-helix	trans	-58.6	-46	174.6	-71.3	174.6	171.5	0	0	111.8	E602 R608 E609 A610	E602-E606 WeakPolarHBondContact O-CG 3.33Å; E602-E606 PolarHBondContact O-N 3.27Å; E606-R608 PolarHBondContact O-N 2.96Å; E606-E609 PolarHBondContact O-N 2.93Å; E606-A610 PolarHBondContact O-N 2.77Å
607	S	86.6	Confident	87.4	Confident	73 Å²	73	82.4 Å²	82.4	51%	0.51	41%	0.412	S	S	.	.	H	α-helix	trans	-61.5	-34.5	176.5	178.5	0	0	0	0	112.2	K603 K605 V611	K603-S607 WeakPolarHBondContact O-CB 3.46Å; K603-S607 PolarHBondContact O-N 3.18Å; K603-S607 VanDerWaalsContact O-N 3.14Å; K605-S607 PolarHBondContact O-N 3.32Å; S607-V611 VanDerWaalsContact O-CG2 3.28Å; S607-V611 WeakPolarHBondContact O-CG2 3.4Å; S607-V611 PolarHBondContact O-N 3.44Å
608	R	86.5	Confident	88	Confident	59 Å²	59	74.6 Å²	74.6	22%	0.223	38%	0.378	C	S	.	.	H	α-helix	trans	-69.9	-45.5	177	179	174.9	62.7	84.6	5	111.2	E600 T604 K605 E606 A610 V611 E612 Q638	E600-R608 IonicContact OE2-NE 2.56Å; T604-R608 WeakPolarHBondContact O-CB 3.44Å; T604-R608 PolarHBondContact O-N 3.13Å; K605-R608 WeakPolarHBondContact O-CB 3.5Å; K605-R608 PolarHBondContact O-N 3.12Å; K605-R608 VanDerWaalsContact O-N 3.12Å; E606-R608 PolarHBondContact O-N 2.96Å; R608-A610 VanDerWaalsContact C-N 3.27Å; R608-A610 PolarHBondContact O-N 2.75Å; R608-V611 PolarHBondContact O-N 3.48Å; R608-V611 VanDerWaalsContact O-N 3.16Å; R608-E612 HydrophobicContact CG-CG 4.47Å; R608-E612 WeakPolarHBondContact CG-OE1 3.31Å; R608-E612 IonicContact CZ-OE1 3.28Å; R608-E612 IonicContact NH1-OE1 3.13Å; R608-E612 PolarHBondContact NH1-OE1 3.26Å; R608-E612 IonicContact NH1-OE2 2.71Å; R608-E612 WeakPolarHBondContact O-CG 3.49Å; R608-E612 PolarHBondContact O-N 3.2Å; R608-Q638 VanDerWaalsContact CZ-NE2 3.34Å; R608-Q638 VanDerWaalsContact NH1-NE2 3.1Å
609	E	88.8	Confident	88.7	Confident	83 Å²	83	74.7 Å²	74.7	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-35.9	177.7	-70.8	174.5	-170.5	0	0	111.8	K605 E606 K613	K605-E609 WeakPolarHBondContact CE-OE1 3.26Å; K605-E609 WeakPolarHBondContact O-CG 3.3Å; K605-E609 PolarHBondContact O-N 3.35Å; E606-E609 PolarHBondContact O-N 2.93Å; E609-K613 WeakPolarHBondContact O-CG 3.18Å; E609-K613 PolarHBondContact O-N 3.1Å; E609-K613 VanDerWaalsContact O-N 3.12Å
610	A	91.5	Very high	89.6	Confident	60 Å²	60	73.3 Å²	73.3	50%	0.496	37%	0.372	S	S	.	.	H	α-helix	trans	-64.6	-43.5	173	0	0	0	0	0	112.5	E606 R608 K613 E614	E606-A610 PolarHBondContact O-N 2.77Å; R608-A610 VanDerWaalsContact C-N 3.27Å; R608-A610 PolarHBondContact O-N 2.75Å; A610-K613 PolarHBondContact O-N 3.42Å; A610-E614 PolarHBondContact O-N 3.05Å
611	V	92	Very high	90.5	Very high	35 Å²	35	74.7 Å²	74.7	21%	0.212	38%	0.375	C	S	.	.	H	α-helix	trans	-68.4	-38.3	176.9	172.6	0	0	0	0	111.3	S607 R608 K613 E614 F615 V636 P689	S607-V611 VanDerWaalsContact O-CG2 3.28Å; S607-V611 WeakPolarHBondContact O-CG2 3.4Å; S607-V611 PolarHBondContact O-N 3.44Å; R608-V611 PolarHBondContact O-N 3.48Å; R608-V611 VanDerWaalsContact O-N 3.16Å; V611-K613 VanDerWaalsContact C-N 3.3Å; V611-K613 PolarHBondContact O-N 2.8Å; V611-E614 PolarHBondContact O-N 3.21Å; V611-F615 HydrophobicContact CG1-CD2 3.81Å; V611-F615 HydrophobicContact CG1-CE2 4.04Å; V611-F615 VanDerWaalsContact O-CD2 3.31Å; V611-F615 WeakPolarHBondContact O-CD2 3.29Å; V611-F615 PolarHBondContact O-N 3.43Å; V611-F615 VanDerWaalsContact O-N 3.09Å; V611-V636 HydrophobicContact CG1-CG1 4.38Å; V611-P689 HydrophobicContact CG1-CB 3.48Å; V611-P689 VanDerWaalsContact CG1-CB 3.48Å; V611-P689 HydrophobicContact CG1-CG 3.62Å
612	E	92.4	Very high	91.1	Very high	63 Å²	63	71.8 Å²	71.8	29%	0.294	35%	0.354	S	S	.	.	H	α-helix	trans	-59.2	-42	174.6	-79.9	171.8	-165.8	0	0	111.3	R608 E616 V636	R608-E612 HydrophobicContact CG-CG 4.47Å; R608-E612 WeakPolarHBondContact CG-OE1 3.31Å; R608-E612 IonicContact CZ-OE1 3.28Å; R608-E612 IonicContact NH1-OE1 3.13Å; R608-E612 PolarHBondContact NH1-OE1 3.26Å; R608-E612 IonicContact NH1-OE2 2.71Å; R608-E612 WeakPolarHBondContact O-CG 3.49Å; R608-E612 PolarHBondContact O-N 3.2Å; E612-E616 PolarHBondContact O-N 2.93Å; E612-V636 HydrophobicContact CG-CB 3.93Å; E612-V636 HydrophobicContact CG-CG2 4.13Å
613	K	93.2	Very high	91.5	Very high	151 Å²	151	69.9 Å²	69.9	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-66.6	-41.9	173.6	-71.9	177.8	-178.6	179.4	0	113.2	E609 A610 V611 F615 E616	E609-K613 WeakPolarHBondContact O-CG 3.18Å; E609-K613 PolarHBondContact O-N 3.1Å; E609-K613 VanDerWaalsContact O-N 3.12Å; A610-K613 PolarHBondContact O-N 3.42Å; V611-K613 VanDerWaalsContact C-N 3.3Å; V611-K613 PolarHBondContact O-N 2.8Å; K613-F615 PolarHBondContact O-N 2.85Å; K613-E616 WeakPolarHBondContact O-CB 3.49Å; K613-E616 PolarHBondContact O-N 2.91Å
614	E	93.7	Very high	91.9	Very high	99 Å²	99	66.1 Å²	66.1	46%	0.463	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-37.6	179.3	-177.2	-170.9	170.8	0	0	112.3	A610 V611 L698	A610-E614 PolarHBondContact O-N 3.05Å; V611-E614 PolarHBondContact O-N 3.21Å; E614-L698 HydrophobicContact CG-CD2 4.17Å
615	F	95.2	Very high	92.3	Very high	4 Å²	4	70.5 Å²	70.5	2%	0.018	35%	0.346	C	S	.	.	H	α-helix	trans	-92.8	-2.7	-176.7	-79.2	-94.3	0	0	0	113.8	V611 K613 P617 L618 L619 V636 I687 P689 I694 R695 L698	V611-F615 HydrophobicContact CG1-CD2 3.81Å; V611-F615 HydrophobicContact CG1-CE2 4.04Å; V611-F615 VanDerWaalsContact O-CD2 3.31Å; V611-F615 WeakPolarHBondContact O-CD2 3.29Å; V611-F615 PolarHBondContact O-N 3.43Å; V611-F615 VanDerWaalsContact O-N 3.09Å; K613-F615 PolarHBondContact O-N 2.85Å; F615-P617 VanDerWaalsContact C-CD 3.44Å; F615-P617 VanDerWaalsContact C-N 3.35Å; F615-L618 HydrophobicContact CD1-CD2 3.94Å; F615-L618 HydrophobicContact CE1-CD2 4.36Å; F615-L618 PolarHBondContact O-N 3.36Å; F615-L619 WeakPolarHBondContact O-CG 3.29Å; F615-L619 PolarHBondContact O-N 2.77Å; F615-V636 HydrophobicContact CB-CG2 4.03Å; F615-I687 HydrophobicContact CD1-CD1 4.1Å; F615-P689 HydrophobicContact CD2-CB 3.9Å; F615-P689 HydrophobicContact CE1-CB 4.21Å; F615-P689 HydrophobicContact CE2-CB 3.49Å; F615-P689 VanDerWaalsContact CE2-CB 3.49Å; F615-P689 HydrophobicContact CG-CB 4.39Å; F615-P689 HydrophobicContact CZ-CB 3.66Å; F615-I694 HydrophobicContact CD1-CG2 4.2Å; F615-I694 HydrophobicContact CE1-CG2 3.73Å; F615-R695 HydrophobicContact CZ-CG 4.23Å; F615-L698 HydrophobicContact CD1-CB 4.39Å; F615-L698 HydrophobicContact CD1-CD2 3.87Å; F615-L698 HydrophobicContact CD1-CG 4.5Å; F615-L698 HydrophobicContact CD2-CD2 4.25Å; F615-L698 HydrophobicContact CE1-CB 4.1Å; F615-L698 HydrophobicContact CE1-CD2 3.72Å; F615-L698 HydrophobicContact CE1-CG 4.45Å; F615-L698 HydrophobicContact CE2-CD2 4.14Å; F615-L698 HydrophobicContact CG-CD2 4.14Å; F615-L698 HydrophobicContact CZ-CD2 3.89Å
616	E	94.8	Very high	92.6	Very high	105 Å²	105	68.6 Å²	68.6	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-51.5	-42.5	-179.2	-169.2	170.5	-172.7	0	0	113.8	E612 K613 L618 L619 N620	E612-E616 PolarHBondContact O-N 2.93Å; K613-E616 WeakPolarHBondContact O-CB 3.49Å; K613-E616 PolarHBondContact O-N 2.91Å; E616-L618 PolarHBondContact O-N 2.93Å; E616-L619 PolarHBondContact O-N 3.3Å; E616-N620 PolarHBondContact O-N 3.49Å; E616-N620 PolarHBondContact O-ND2 3.24Å
617	P	94.9	Very high	92.9	Very high	36 Å²	36	64.9 Å²	64.9	23%	0.234	33%	0.331	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.8	-23.6	34.5	0	0	0	113.3	F615 N620 W621	F615-P617 VanDerWaalsContact C-CD 3.44Å; F615-P617 VanDerWaalsContact C-N 3.35Å; P617-N620 PolarHBondContact O-N 3.08Å; P617-W621 WeakPolarHBondContact O-CB 3.39Å; P617-W621 PolarHBondContact O-N 2.71Å
618	L	94.7	Very high	93.2	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.2	175.2	67.2	0	0	0	111.3	F615 E616 W621 M622 I687 I694 M697 L698 I701	F615-L618 HydrophobicContact CD1-CD2 3.94Å; F615-L618 HydrophobicContact CE1-CD2 4.36Å; F615-L618 PolarHBondContact O-N 3.36Å; E616-L618 PolarHBondContact O-N 2.93Å; L618-W621 HydrophobicContact CD1-CE3 4.42Å; L618-W621 PolarHBondContact O-N 2.88Å; L618-M622 HydrophobicContact CD1-CE 3.73Å; L618-M622 HydrophobicContact CD1-CG 4.25Å; L618-M622 HydrophobicContact CD1-SD 4.38Å; L618-M622 HydrophobicContact CD2-CE 4.13Å; L618-M622 HydrophobicContact CG-CE 3.96Å; L618-M622 HydrophobicContact CG-CG 4.48Å; L618-M622 HydrophobicContact CG-SD 4.21Å; L618-M622 WeakPolarHBondContact O-CB 3.32Å; L618-M622 VanDerWaalsContact O-CG 3.31Å; L618-M622 WeakPolarHBondContact O-CG 3.32Å; L618-M622 PolarHBondContact O-N 3.38Å; L618-I687 HydrophobicContact CD2-CD1 3.83Å; L618-I687 HydrophobicContact CG-CD1 4.46Å; L618-I694 HydrophobicContact CD2-CG2 3.93Å; L618-M697 HydrophobicContact CD1-CB 3.93Å; L618-M697 HydrophobicContact CD2-CB 4.44Å; L618-L698 HydrophobicContact CB-CD1 3.71Å; L618-L698 HydrophobicContact CD2-CB 4.27Å; L618-I701 HydrophobicContact CB-CD1 4.27Å; L618-I701 HydrophobicContact CD1-CD1 3.21Å; L618-I701 HydrophobicContact CD1-CG1 4.49Å; L618-I701 HydrophobicContact CG-CD1 4.32Å
619	L	95.4	Very high	93.3	Very high	20 Å²	20	70.2 Å²	70.2	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-63.3	-44.6	179.2	-64.6	-179.7	0	0	0	111.6	F615 E616 M622 K623 A634 V636 I687	F615-L619 WeakPolarHBondContact O-CG 3.29Å; F615-L619 PolarHBondContact O-N 2.77Å; E616-L619 PolarHBondContact O-N 3.3Å; L619-M622 PolarHBondContact O-N 3.32Å; L619-K623 WeakPolarHBondContact O-CB 3.3Å; L619-K623 PolarHBondContact O-N 2.96Å; L619-A634 HydrophobicContact CB-CB 4.4Å; L619-A634 HydrophobicContact CD2-CB 4.03Å; L619-V636 HydrophobicContact CD1-CG2 4.26Å; L619-I687 HydrophobicContact CD2-CD1 3.52Å; L619-I687 HydrophobicContact CD2-CG1 3.86Å; L619-I687 HydrophobicContact CG-CD1 4.48Å
620	N	95.1	Very high	93.5	Very high	77 Å²	77	73.8 Å²	73.8	41%	0.412	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-46.1	177.6	-68.7	-20.2	0	0	0	110.8	E616 P617 M622 K623 D624	E616-N620 PolarHBondContact O-N 3.49Å; E616-N620 PolarHBondContact O-ND2 3.24Å; P617-N620 PolarHBondContact O-N 3.08Å; N620-M622 VanDerWaalsContact C-N 3.35Å; N620-M622 PolarHBondContact O-N 3.2Å; N620-K623 PolarHBondContact O-N 2.86Å; N620-D624 VanDerWaalsContact O-CB 3.31Å; N620-D624 WeakPolarHBondContact O-CB 3.38Å; N620-D624 PolarHBondContact O-N 3.24Å
621	W	94.9	Very high	93.6	Very high	69 Å²	69	71.6 Å²	71.6	26%	0.261	35%	0.346	S	S	.	.	H	α-helix	trans	-59.1	-43.5	175.3	179.4	98.3	0	0	0	112.8	P617 L618 K623 K625 A626 M697 I701	P617-W621 WeakPolarHBondContact O-CB 3.39Å; P617-W621 PolarHBondContact O-N 2.71Å; L618-W621 HydrophobicContact CD1-CE3 4.42Å; L618-W621 PolarHBondContact O-N 2.88Å; W621-K623 PolarHBondContact O-N 3.23Å; W621-K625 WeakPolarHBondContact O-CA 3.44Å; W621-K625 WeakPolarHBondContact O-CB 3.44Å; W621-K625 PolarHBondContact O-N 3Å; W621-A626 HydrophobicContact CD2-CB 4.34Å; W621-A626 HydrophobicContact CE3-CB 3.87Å; W621-A626 HydrophobicContact CH2-CB 3.53Å; W621-A626 HydrophobicContact CZ2-CB 4.03Å; W621-A626 HydrophobicContact CZ3-CB 3.44Å; W621-A626 VanDerWaalsContact CZ3-CB 3.44Å; W621-A626 PolarHBondContact O-N 2.75Å; W621-M697 HydrophobicContact CH2-CE 4.38Å; W621-M697 HydrophobicContact CZ3-CE 3.97Å; W621-I701 HydrophobicContact CB-CD1 3.82Å; W621-I701 HydrophobicContact CB-CG2 4.46Å; W621-I701 HydrophobicContact CD2-CD1 3.54Å; W621-I701 HydrophobicContact CD2-CG1 4.27Å; W621-I701 HydrophobicContact CE3-CD1 3.62Å; W621-I701 HydrophobicContact CG-CD1 3.63Å; W621-I701 HydrophobicContact CG-CG1 4.28Å; W621-I701 HydrophobicContact CZ3-CD1 4.35Å
622	M	94.6	Very high	93.6	Very high	8 Å²	8	75.2 Å²	75.2	4%	0.039	36%	0.36	C	S	.	.	I	π-helix	trans	-61.3	-45.6	177.3	-79.4	-179.2	171.3	0	0	111.4	L618 L619 N620 L627 A634 F685 I687 M697	L618-M622 HydrophobicContact CD1-CE 3.73Å; L618-M622 HydrophobicContact CD1-CG 4.25Å; L618-M622 HydrophobicContact CD1-SD 4.38Å; L618-M622 HydrophobicContact CD2-CE 4.13Å; L618-M622 HydrophobicContact CG-CE 3.96Å; L618-M622 HydrophobicContact CG-CG 4.48Å; L618-M622 HydrophobicContact CG-SD 4.21Å; L618-M622 WeakPolarHBondContact O-CB 3.32Å; L618-M622 VanDerWaalsContact O-CG 3.31Å; L618-M622 WeakPolarHBondContact O-CG 3.32Å; L618-M622 PolarHBondContact O-N 3.38Å; L619-M622 PolarHBondContact O-N 3.32Å; N620-M622 VanDerWaalsContact C-N 3.35Å; N620-M622 PolarHBondContact O-N 3.2Å; M622-L627 WeakPolarHBondContact O-CA 3.41Å; M622-L627 VanDerWaalsContact O-CB 3.28Å; M622-L627 WeakPolarHBondContact O-CB 3.28Å; M622-L627 PolarHBondContact O-N 2.73Å; M622-A634 HydrophobicContact CB-CB 4.01Å; M622-F685 HydrophobicContact SD-CD1 4.25Å; M622-F685 HydrophobicContact SD-CE1 4.2Å; M622-I687 HydrophobicContact CE-CG2 4.07Å; M622-I687 HydrophobicContact SD-CG2 3.8Å; M622-M697 HydrophobicContact CE-CE 4.1Å; M622-M697 HydrophobicContact CE-SD 4.11Å
623	K	93.9	Very high	93.6	Very high	91 Å²	91	75.8 Å²	75.8	40%	0.396	36%	0.362	S	S	.	.	I	π-helix	trans	-71.1	-46.1	-177.7	-173.8	-170	174.8	-165.1	0	112.6	L619 N620 W621 K628 A634	L619-K623 WeakPolarHBondContact O-CB 3.3Å; L619-K623 PolarHBondContact O-N 2.96Å; N620-K623 PolarHBondContact O-N 2.86Å; W621-K623 PolarHBondContact O-N 3.23Å; K623-K628 WeakPolarHBondContact O-CA 3.41Å; K623-A634 HydrophobicContact CB-CB 4.48Å
624	D	93.8	Very high	93.7	Very high	89 Å²	89	69.1 Å²	69.1	48%	0.476	34%	0.335	S	S	.	.	I	π-helix	trans	-96	-23.7	-165.2	-59.5	-26.9	0	0	0	113	N620	N620-D624 VanDerWaalsContact O-CB 3.31Å; N620-D624 WeakPolarHBondContact O-CB 3.38Å; N620-D624 PolarHBondContact O-N 3.24Å
625	K	91.8	Very high	93.8	Very high	149 Å²	149	66.5 Å²	66.5	65%	0.648	33%	0.326	S	S	*	.	I	π-helix	trans	-113.7	-67.6	179.4	-58.4	-172.6	-176.1	176.3	0	112.1	W621	W621-K625 WeakPolarHBondContact O-CA 3.44Å; W621-K625 WeakPolarHBondContact O-CB 3.44Å; W621-K625 PolarHBondContact O-N 3Å
626	A	92.8	Very high	93.7	Very high	48 Å²	48	67 Å²	67	40%	0.397	33%	0.329	S	S	.	.	I	π-helix	trans	-72.1	-39.8	-165.5	0	0	0	0	0	114.6	W621	W621-A626 HydrophobicContact CD2-CB 4.34Å; W621-A626 HydrophobicContact CE3-CB 3.87Å; W621-A626 HydrophobicContact CH2-CB 3.53Å; W621-A626 HydrophobicContact CZ2-CB 4.03Å; W621-A626 HydrophobicContact CZ3-CB 3.44Å; W621-A626 VanDerWaalsContact CZ3-CB 3.44Å; W621-A626 PolarHBondContact O-N 2.75Å
627	L	94.1	Very high	93.5	Very high	43 Å²	43	62.5 Å²	62.5	23%	0.225	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	25.7	-177.4	-59	173	0	0	0	112	M622 D629 K630 I631 F685	M622-L627 WeakPolarHBondContact O-CA 3.41Å; M622-L627 VanDerWaalsContact O-CB 3.28Å; M622-L627 WeakPolarHBondContact O-CB 3.28Å; M622-L627 PolarHBondContact O-N 2.73Å; L627-D629 PolarHBondContact O-N 3.12Å; L627-K630 PolarHBondContact O-N 3.2Å; L627-I631 HydrophobicContact CB-CD1 3.93Å; L627-I631 HydrophobicContact CB-CG1 3.89Å; L627-I631 HydrophobicContact CB-CG2 4.14Å; L627-I631 HydrophobicContact CD1-CD1 4.02Å; L627-I631 HydrophobicContact CD1-CG2 4.14Å; L627-I631 PolarHBondContact O-N 3Å; L627-F685 HydrophobicContact CD1-CD1 4.41Å; L627-F685 HydrophobicContact CD1-CD2 3.86Å; L627-F685 HydrophobicContact CD1-CE2 4.01Å; L627-F685 HydrophobicContact CD1-CG 4.08Å; L627-F685 HydrophobicContact CD1-CZ 4.34Å
628	K	92.8	Very high	92.9	Very high	132 Å²	132	63.1 Å²	63.1	57%	0.574	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	134.9	175.7	-170.7	-179.2	175.8	178.3	0	109.8	K623 K630	K623-K628 WeakPolarHBondContact O-CA 3.41Å; K628-K630 PolarHBondContact O-N 2.63Å
629	D	89.8	Confident	92.6	Very high	112 Å²	112	63.7 Å²	63.7	60%	0.599	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	-8.1	-176.6	-62.9	-52.7	0	0	0	117.5	L627 K682	L627-D629 PolarHBondContact O-N 3.12Å; D629-K682 WeakPolarHBondContact O-CD 3.47Å; D629-K682 WeakPolarHBondContact O-CE 3.43Å; D629-K682 PolarHBondContact O-NZ 3.17Å; D629-K682 IonicContact OD1-NZ 3.44Å; D629-K682 PolarHBondContact OD1-NZ 3.12Å
630	K	91.3	Very high	92.5	Very high	159 Å²	159	63 Å²	63	69%	0.691	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-28.1	179.5	-63.8	-174.7	177.7	178.8	0	113.7	L627 K628	L627-K630 PolarHBondContact O-N 3.2Å; K628-K630 PolarHBondContact O-N 2.63Å
631	I	93.6	Very high	92.2	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.072	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	160	-179.2	67.2	170	0	0	0	110.8	L627 A634 L647 K683 F685	L627-I631 HydrophobicContact CB-CD1 3.93Å; L627-I631 HydrophobicContact CB-CG1 3.89Å; L627-I631 HydrophobicContact CB-CG2 4.14Å; L627-I631 HydrophobicContact CD1-CD1 4.02Å; L627-I631 HydrophobicContact CD1-CG2 4.14Å; L627-I631 PolarHBondContact O-N 3Å; I631-A634 HydrophobicContact CD1-CB 4Å; I631-L647 HydrophobicContact CG2-CD2 4.43Å; I631-K683 WeakPolarHBondContact CA-O 3.44Å; I631-K683 WeakPolarHBondContact CB-O 3.36Å; I631-F685 HydrophobicContact CB-CB 4.41Å; I631-F685 HydrophobicContact CD1-CB 3.68Å; I631-F685 HydrophobicContact CD1-CG 4.48Å; I631-F685 HydrophobicContact CG2-CB 4.1Å; I631-F685 HydrophobicContact CG2-CD2 4.33Å
632	E	92.1	Very high	92.1	Very high	110 Å²	110	63.8 Å²	63.8	51%	0.514	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-46	175.3	-172.7	164.6	174.3	0	0	111.5	K682 K683	E632-K682 HydrophobicContact CB-CB 3.98Å; E632-K683 PolarHBondContact N-O 3.43Å
633	K	93.6	Very high	92.2	Very high	75 Å²	75	64.8 Å²	64.8	33%	0.326	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	152.2	177.4	62	-170.1	175.1	-166.1	0	110.1	E594 V635 T684 F685	E594-K633 WeakPolarHBondContact OE1-CE 3.4Å; E594-K633 IonicContact OE1-NZ 3.2Å; E594-K633 PolarHBondContact OE1-NZ 3.29Å; E594-K633 IonicContact OE2-NZ 2.88Å; E594-K633 PolarHBondContact OE2-NZ 3.29Å; K633-V635 HydrophobicContact CD-CG1 4.19Å; K633-V635 HydrophobicContact CG-CG1 4.14Å; K633-T684 HydrophobicContact CD-CG2 4.42Å; K633-T684 WeakPolarHBondContact CE-OG1 3.43Å; K633-T684 HydrophobicContact CG-CG2 3.8Å; K633-F685 PolarHBondContact O-N 2.86Å
634	A	95.4	Very high	92.3	Very high	11 Å²	11	62.4 Å²	62.4	9%	0.091	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132	167.4	0	0	0	0	0	108.8	L619 M622 K623 I631 F685	L619-A634 HydrophobicContact CB-CB 4.4Å; L619-A634 HydrophobicContact CD2-CB 4.03Å; M622-A634 HydrophobicContact CB-CB 4.01Å; K623-A634 HydrophobicContact CB-CB 4.48Å; I631-A634 HydrophobicContact CD1-CB 4Å; A634-F685 CarbonylContact C-O 3.42Å; A634-F685 VanDerWaalsContact CA-O 3.26Å; A634-F685 WeakPolarHBondContact CA-O 3.11Å
635	V	94.8	Very high	92.4	Very high	45 Å²	45	60.4 Å²	60.4	27%	0.273	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.1	-179.8	-59.5	0	0	0	0	111.9	K633 S637 T684 F685 E686 I687	K633-V635 HydrophobicContact CD-CG1 4.19Å; K633-V635 HydrophobicContact CG-CG1 4.14Å; V635-S637 PolarHBondContact O-N 3.48Å; V635-T684 HydrophobicContact CG2-CG2 3.73Å; V635-F685 PolarHBondContact N-O 3.21Å; V635-E686 HydrophobicContact CG2-CB 4.5Å; V635-E686 HydrophobicContact CG2-CG 3.8Å; V635-E686 CarbonylContact O-C 3.53Å; V635-E686 VanDerWaalsContact O-CA 3.3Å; V635-E686 WeakPolarHBondContact O-CA 3.39Å; V635-I687 PolarHBondContact O-N 3.27Å
636	V	93.3	Very high	92.5	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	127.5	168.3	174.8	0	0	0	0	109.3	V611 E612 F615 L619 P689	V611-V636 HydrophobicContact CG1-CG1 4.38Å; E612-V636 HydrophobicContact CG-CB 3.93Å; E612-V636 HydrophobicContact CG-CG2 4.13Å; F615-V636 HydrophobicContact CB-CG2 4.03Å; L619-V636 HydrophobicContact CD1-CG2 4.26Å; V636-P689 HydrophobicContact CG1-CB 4.44Å; V636-P689 HydrophobicContact CG1-CG 3.73Å
637	S	90.6	Very high	92.6	Very high	12 Å²	12	55.7 Å²	55.7	8%	0.084	28%	0.283	C	S	.	.			trans	-72.4	140.9	-179.6	-168.6	0	0	0	0	112.1	V635 R639 L640 E686 I687	V635-S637 PolarHBondContact O-N 3.48Å; S637-R639 WeakPolarHBondContact OG-CG 3.36Å; S637-R639 PolarHBondContact OG-N 2.83Å; S637-L640 WeakPolarHBondContact OG-CG 3.44Å; S637-L640 PolarHBondContact OG-N 2.89Å; S637-E686 WeakPolarHBondContact CB-OE2 3.24Å; S637-E686 PolarHBondContact OG-OE2 3.48Å; S637-I687 VanDerWaalsContact CB-O 3.28Å; S637-I687 WeakPolarHBondContact CB-O 3.38Å; S637-I687 PolarHBondContact N-O 3.12Å
638	Q	82.9	Confident	92.7	Very high	49 Å²	49	53.6 Å²	53.6	23%	0.229	27%	0.273	C	S	.	.	S	Bend	trans	-95.3	-6.9	164.2	-62.3	-176.6	14.9	0	0	112.9	R557 F598 R608	R557-Q638 WeakPolarHBondContact CD-O 3.41Å; R557-Q638 PolarHBondContact NH1-O 3.1Å; F598-Q638 HydrophobicContact CD2-CB 4.41Å; F598-Q638 HydrophobicContact CE2-CB 4.36Å; F598-Q638 WeakPolarHBondContact CE2-O 3.5Å; R608-Q638 VanDerWaalsContact CZ-NE2 3.34Å; R608-Q638 VanDerWaalsContact NH1-NE2 3.1Å
639	R	89.1	Confident	92.7	Very high	11 Å²	11	47.6 Å²	47.6	4%	0.042	25%	0.247	C	C	.	.	S	Bend	trans	-113.7	-15.6	-170.6	73.6	-167.7	78.5	-159.6	5.9	114.8	R557 V591 K593 S637 E686	R557-R639 WeakPolarHBondContact CB-O 3.35Å; R557-R639 PolarHBondContact N-O 3.3Å; V591-R639 PolarHBondContact O-NH1 3.26Å; K593-R639 PolarHBondContact O-NH1 2.81Å; K593-R639 PolarHBondContact O-NH2 3.5Å; S637-R639 WeakPolarHBondContact OG-CG 3.36Å; S637-R639 PolarHBondContact OG-N 2.83Å; R639-E686 IonicContact CZ-OE1 2.92Å; R639-E686 IonicContact CZ-OE2 3.61Å; R639-E686 IonicContact NE-OE1 3.63Å; R639-E686 PolarHBondContact NE-OE1 3.19Å; R639-E686 IonicContact NE-OE2 2.82Å; R639-E686 PolarHBondContact NE-OE2 3.29Å; R639-E686 IonicContact NH2-OE1 3.42Å; R639-E686 PolarHBondContact NH2-OE1 3.16Å; R639-E686 IonicContact NH2-OE2 3.76Å
640	L	91.6	Very high	92.8	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	23%	0.226	C	C	.	.			trans	-82	150.6	-179.6	-61.3	178.5	0	0	0	112.8	P553 S637 A646 N688	P553-L640 HydrophobicContact CB-CD2 3.7Å; S637-L640 WeakPolarHBondContact OG-CG 3.44Å; S637-L640 PolarHBondContact OG-N 2.89Å; L640-A646 HydrophobicContact CD1-CB 4.33Å; L640-A646 HydrophobicContact CD2-CB 3.93Å; L640-N688 HydrophobicContact CB-CB 3.91Å; L640-N688 HydrophobicContact CD1-CB 4.08Å
641	T	90.6	Very high	92.6	Very high	27 Å²	27	41 Å²	41	17%	0.166	22%	0.218	C	C	.	.	S	Bend	trans	-132.1	-56.5	176.3	70.6	0	0	0	0	112.5	E556 R557 K560 N688	E556-T641 HydrophobicContact CB-CG2 4.09Å; E556-T641 WeakPolarHBondContact CB-OG1 3.16Å; E556-T641 WeakPolarHBondContact OE2-CA 3.07Å; E556-T641 WeakPolarHBondContact OE2-CB 3.44Å; E556-T641 PolarHBondContact OE2-N 3.13Å; E556-T641 PolarHBondContact OE2-OG1 3.21Å; R557-T641 HydrophobicContact CB-CG2 3.66Å; R557-T641 HydrophobicContact CG-CG2 4.07Å; K560-T641 HydrophobicContact CD-CG2 3.87Å; K560-T641 WeakPolarHBondContact CE-OG1 3.42Å; K560-T641 PolarHBondContact NZ-OG1 3.2Å; T641-N688 VanDerWaalsContact C-ND2 3.27Å; T641-N688 PolarHBondContact O-ND2 3.14Å
642	E	92	Very high	92.2	Very high	136 Å²	136	48.8 Å²	48.8	64%	0.636	25%	0.248	S	C	*	.	S	Bend	trans	-107.3	-30.6	-177.9	-75.7	168.9	-148.4	0	0	111	E556 K560 H691	E556-E642 PolarHBondContact OE2-N 2.94Å; K560-E642 IonicContact NZ-OE1 3.46Å; K560-E642 PolarHBondContact NZ-OE1 2.84Å; E642-H691 PolarHBondContact O-CD2 3.46Å
643	S	95.9	Very high	92	Very high	29 Å²	29	43.7 Å²	43.7	20%	0.203	22%	0.224	C	C	.	.	S	Bend	trans	-71.9	143.7	176.2	-67.5	0	0	0	0	112.4	E556 N688	E556-S643 VanDerWaalsContact OE1-CB 3.29Å; E556-S643 WeakPolarHBondContact OE1-CB 3.13Å; E556-S643 PolarHBondContact OE1-N 3.12Å; E556-S643 PolarHBondContact OE1-OG 3.49Å; E556-S643 PolarHBondContact OE2-N 2.93Å; S643-N688 WeakPolarHBondContact O-CB 3.28Å; S643-N688 PolarHBondContact O-ND2 3.01Å
644	P	96.1	Very high	91.8	Very high	42 Å²	42	41.6 Å²	41.6	27%	0.273	22%	0.215	S	C	.	.	S	Bend	trans	-74	-36.1	-178.6	26.4	-33.6	0	0	0	113.7	N688 H691 I694	P644-N688 PolarHBondContact O-N 2.87Å; P644-H691 HydrophobicContact CB-CB 4.4Å; P644-I694 HydrophobicContact CB-CD1 4.36Å; P644-I694 HydrophobicContact CB-CG1 4.21Å; P644-I694 WeakPolarHBondContact O-CG1 3.49Å
645	C	95.6	Very high	91.6	Very high	46 Å²	46	41.2 Å²	41.2	31%	0.311	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	165.6	-176.7	59.9	0	0	0	0	112	F685 E686 I687	C645-F685 HydrophobicContact CB-CD1 4.47Å; C645-F685 HydrophobicContact CB-CE1 3.61Å; C645-F685 HydrophobicContact CB-CZ 3.64Å; C645-E686 CarbonylContact C-O 3.56Å; C645-E686 WeakPolarHBondContact CA-O 3.15Å; C645-E686 VanDerWaalsContact CB-O 3.31Å; C645-E686 WeakPolarHBondContact CB-O 3.13Å; C645-I687 HydrophobicContact CB-CG2 4.38Å
646	A	95.4	Very high	91.4	Very high	8 Å²	8	41.2 Å²	41.2	7%	0.066	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	152.7	173	0	0	0	0	0	112.8	P553 F554 L640 E686	P553-A646 HydrophobicContact CB-CB 4.44Å; P553-A646 HydrophobicContact CG-CB 4.35Å; F554-A646 HydrophobicContact CD1-CB 4.35Å; F554-A646 HydrophobicContact CE1-CB 3.64Å; F554-A646 HydrophobicContact CZ-CB 4.12Å; L640-A646 HydrophobicContact CD1-CB 4.33Å; L640-A646 HydrophobicContact CD2-CB 3.93Å; A646-E686 PolarHBondContact N-O 3.49Å; A646-E686 PolarHBondContact O-N 3.04Å
647	L	94.9	Very high	91.4	Very high	90 Å²	90	41.2 Å²	41.2	47%	0.471	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.6	174.2	-75	175.2	0	0	0	110.9	F554 I631 K683 F685	F554-L647 WeakPolarHBondContact CZ-O 3.43Å; I631-L647 HydrophobicContact CG2-CD2 4.43Å; L647-K683 HydrophobicContact CB-CB 4.41Å; L647-K683 HydrophobicContact CB-CD 4.33Å; L647-K683 HydrophobicContact CD2-CB 4.19Å; L647-F685 HydrophobicContact CD2-CD2 3.64Å; L647-F685 HydrophobicContact CD2-CE2 4.37Å; L647-F685 HydrophobicContact CG-CD2 4.42Å
648	V	94.9	Very high	91.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.5	-177.2	176.8	0	0	0	0	110.2	F554 K593 E594 K683 T684 E686	F554-V648 HydrophobicContact CD1-CG2 4.35Å; F554-V648 HydrophobicContact CE1-CG2 3.74Å; K593-V648 VanDerWaalsContact C-CG1 3.44Å; E594-V648 HydrophobicContact CG-CG1 3.84Å; V648-K683 WeakPolarHBondContact O-CB 3.45Å; V648-T684 PolarHBondContact N-O 3.26Å; V648-T684 PolarHBondContact O-N 2.87Å; V648-E686 HydrophobicContact CB-CG 4.37Å; V648-E686 HydrophobicContact CG2-CG 3.74Å
649	A	93.6	Very high	91.6	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.041	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-76.1	150.4	174	0	0	0	0	0	111	A592 K593 E594 W654	A592-A649 PolarHBondContact O-N 3Å; K593-A649 CarbonylContact C-O 3.51Å; K593-A649 VanDerWaalsContact CA-O 3.26Å; K593-A649 WeakPolarHBondContact CA-O 3.27Å; K593-A649 HydrophobicContact CG-CB 4.21Å; E594-A649 PolarHBondContact N-O 3.02Å; A649-W654 VanDerWaalsContact CB-O 3.24Å; A649-W654 WeakPolarHBondContact CB-O 3.19Å
650	S	91.6	Very high	91.6	Very high	23 Å²	23	45.2 Å²	45.2	16%	0.161	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-60.5	162.5	172.7	78	0	0	0	0	111	Y652 G653 Q681	S650-Y652 PolarHBondContact O-N 2.95Å; S650-G653 PolarHBondContact O-N 3.15Å; S650-G653 WeakPolarHBondContact OG-CA 3.48Å; S650-G653 PolarHBondContact OG-N 2.89Å; S650-Q681 PolarHBondContact OG-OE1 2.86Å; S650-Q681 VanDerWaalsContact OG-OE1 3.12Å
651	Q	87	Confident	91.5	Very high	111 Å²	111	45.8 Å²	45.8	52%	0.519	24%	0.235	S	C	.	.	S	Bend	trans	-56.6	-37.4	-179.6	-174.5	177.5	-6.1	0	0	112.6
652	Y	85.1	Confident	91.2	Very high	177 Å²	177	45.8 Å²	45.8	69%	0.694	23%	0.234	S	C	*	.	S	Bend	trans	-101.2	-6.2	-177.9	-58.3	-73.6	0	0	0	113.8	S650 Y678	S650-Y652 PolarHBondContact O-N 2.95Å; Y652-Y678 WeakPolarHBondContact O-CE1 3.47Å
653	G	87	Confident	90.8	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-81.1	170	-178.8	0	0	0	0	0	114.1	K593 S650	K593-G653 VanDerWaalsContact CE-O 3.23Å; K593-G653 WeakPolarHBondContact CE-O 3.45Å; K593-G653 PolarHBondContact NZ-O 2.9Å; S650-G653 PolarHBondContact O-N 3.15Å; S650-G653 WeakPolarHBondContact OG-CA 3.48Å; S650-G653 PolarHBondContact OG-N 2.89Å
654	W	89.6	Confident	90.3	Very high	32 Å²	32	48.5 Å²	48.5	12%	0.121	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-71.1	134.5	172.5	-72.1	-7.8	0	0	0	111	A649 M658 E659 M662 T675 Y678 A679	A649-W654 VanDerWaalsContact CB-O 3.24Å; A649-W654 WeakPolarHBondContact CB-O 3.19Å; W654-M658 HydrophobicContact CB-CB 4.25Å; W654-M658 HydrophobicContact CB-CG 4.22Å; W654-M658 HydrophobicContact CD2-CG 4.36Å; W654-M658 HydrophobicContact CG-CB 4.43Å; W654-M658 HydrophobicContact CG-CG 3.86Å; W654-E659 HydrophobicContact CB-CB 4.34Å; W654-E659 HydrophobicContact CE3-CB 4.4Å; W654-E659 HydrophobicContact CE3-CG 4.44Å; W654-M662 HydrophobicContact CD2-CG 4.28Å; W654-M662 HydrophobicContact CE3-CB 4.21Å; W654-M662 HydrophobicContact CE3-CG 4.27Å; W654-M662 HydrophobicContact CH2-CB 3.6Å; W654-M662 HydrophobicContact CH2-CG 3.64Å; W654-M662 HydrophobicContact CH2-SD 4.35Å; W654-M662 HydrophobicContact CZ2-CB 4.18Å; W654-M662 HydrophobicContact CZ2-CE 4.19Å; W654-M662 HydrophobicContact CZ2-CG 3.68Å; W654-M662 HydrophobicContact CZ2-SD 4.15Å; W654-M662 HydrophobicContact CZ3-CB 3.63Å; W654-M662 HydrophobicContact CZ3-CG 3.97Å; W654-T675 HydrophobicContact CH2-CG2 3.84Å; W654-T675 HydrophobicContact CZ3-CG2 4.35Å; W654-Y678 AromaticContact CD1-CG 3.97Å; W654-Y678 VanDerWaalsContact CD2-CB 3.46Å; W654-Y678 HydrophobicContact CD2-CG 4.25Å; W654-Y678 AromaticContact CE2-CD2 3.99Å; W654-Y678 AromaticContact CE2-CG 3.77Å; W654-Y678 HydrophobicContact CG-CG 4.39Å; W654-Y678 HydrophobicContact CZ2-CD2 4.05Å; W654-Y678 HydrophobicContact CZ2-CG 4.2Å; W654-Y678 AromaticContact NE1-CD2 3.81Å; W654-Y678 AromaticContact NE1-CG 3.57Å; W654-A679 HydrophobicContact CZ3-CB 4.4Å
655	S	91.9	Very high	89.6	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.021	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-68.6	166.8	166.7	76.4	0	0	0	0	109.7	E574 N657 M658 E659	E574-S655 VanDerWaalsContact CD-OG 3.22Å; E574-S655 VanDerWaalsContact OE1-CB 3.25Å; E574-S655 WeakPolarHBondContact OE1-CB 3.06Å; E574-S655 PolarHBondContact OE1-OG 2.83Å; E574-S655 PolarHBondContact OE2-OG 3.14Å; E574-S655 VanDerWaalsContact OE2-OG 3.12Å; S655-N657 PolarHBondContact O-N 2.94Å; S655-N657 PolarHBondContact OG-N 3.01Å; S655-M658 PolarHBondContact O-N 3.19Å; S655-M658 PolarHBondContact OG-N 2.91Å; S655-E659 VanDerWaalsContact O-CB 3.3Å; S655-E659 WeakPolarHBondContact O-CB 3.24Å; S655-E659 PolarHBondContact O-N 3.48Å
656	G	91.2	Very high	88.3	Confident	44 Å²	44	53.1 Å²	53.1	45%	0.454	29%	0.285	S	S	.	.	H	α-helix	trans	-58.8	-35.8	173.1	0	0	0	0	0	112.9	R660	G656-R660 PolarHBondContact O-N 2.78Å; G656-R660 VanDerWaalsContact O-N 3.15Å
657	N	92.1	Very high	86.8	Confident	14 Å²	14	63.6 Å²	63.6	8%	0.075	33%	0.325	C	S	.	.	H	α-helix	trans	-70.5	-46.6	177	-179.4	63.5	0	0	0	112	A542 E574 S655 E659 R660 I661	A542-N657 HydrophobicContact CB-CB 4.11Å; E574-N657 PolarHBondContact OE2-ND2 3.43Å; S655-N657 PolarHBondContact O-N 2.94Å; S655-N657 PolarHBondContact OG-N 3.01Å; N657-E659 VanDerWaalsContact C-N 3.33Å; N657-E659 PolarHBondContact O-N 2.96Å; N657-R660 WeakPolarHBondContact O-CB 3.28Å; N657-R660 PolarHBondContact O-N 2.97Å; N657-R660 PolarHBondContact OD1-NH2 3.1Å; N657-I661 WeakPolarHBondContact ND2-CD1 3.39Å; N657-I661 WeakPolarHBondContact O-CG1 3.19Å; N657-I661 PolarHBondContact O-N 2.65Å
658	M	89.9	Confident	85.3	Confident	2 Å²	2	62 Å²	62	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-60.8	-43.2	176.7	-176.3	56.6	70.4	0	0	111.7	E574 Y575 W654 S655 R660 I661 M662	E574-M658 HydrophobicContact CB-CE 3.77Å; E574-M658 HydrophobicContact CG-CE 3.63Å; E574-M658 PolarHBondContact OE2-N 3.41Å; E574-M658 VanDerWaalsContact OE2-N 3.14Å; Y575-M658 HydrophobicContact CD1-CE 4.2Å; Y575-M658 HydrophobicContact CD2-CE 4.35Å; Y575-M658 HydrophobicContact CE1-CE 4.15Å; Y575-M658 HydrophobicContact CE1-SD 4.04Å; Y575-M658 HydrophobicContact CE2-CE 4.31Å; Y575-M658 HydrophobicContact CE2-SD 4.24Å; Y575-M658 HydrophobicContact CG-CE 4.31Å; W654-M658 HydrophobicContact CB-CB 4.25Å; W654-M658 HydrophobicContact CB-CG 4.22Å; W654-M658 HydrophobicContact CD2-CG 4.36Å; W654-M658 HydrophobicContact CG-CB 4.43Å; W654-M658 HydrophobicContact CG-CG 3.86Å; S655-M658 PolarHBondContact O-N 3.19Å; S655-M658 PolarHBondContact OG-N 2.91Å; M658-R660 VanDerWaalsContact C-N 3.3Å; M658-R660 PolarHBondContact O-N 2.96Å; M658-I661 PolarHBondContact O-N 3.48Å; M658-M662 HydrophobicContact CG-CE 4.44Å; M658-M662 HydrophobicContact CG-CG 4.25Å; M658-M662 WeakPolarHBondContact O-CB 3.43Å; M658-M662 VanDerWaalsContact O-CG 3.27Å; M658-M662 WeakPolarHBondContact O-CG 3.46Å; M658-M662 PolarHBondContact O-N 3.24Å; M658-M662 HydrophobicContact SD-CE 3.58Å; M658-M662 VanDerWaalsContact SD-CE 3.58Å; M658-M662 HydrophobicContact SD-CG 4Å
659	E	88.8	Confident	83.5	Confident	38 Å²	38	67 Å²	67	18%	0.178	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-42	176.5	-173.9	-176.3	175.8	0	0	111.6	W654 S655 N657 K663 K683	W654-E659 HydrophobicContact CB-CB 4.34Å; W654-E659 HydrophobicContact CE3-CB 4.4Å; W654-E659 HydrophobicContact CE3-CG 4.44Å; S655-E659 VanDerWaalsContact O-CB 3.3Å; S655-E659 WeakPolarHBondContact O-CB 3.24Å; S655-E659 PolarHBondContact O-N 3.48Å; N657-E659 VanDerWaalsContact C-N 3.33Å; N657-E659 PolarHBondContact O-N 2.96Å; E659-K663 HydrophobicContact CG-CD 4.28Å; E659-K663 WeakPolarHBondContact O-CB 3.34Å; E659-K663 VanDerWaalsContact O-CG 3.3Å; E659-K663 WeakPolarHBondContact O-CG 3.26Å; E659-K663 PolarHBondContact O-N 2.9Å; E659-K663 WeakPolarHBondContact OE1-CE 3.4Å; E659-K663 IonicContact OE1-NZ 3.59Å; E659-K663 PolarHBondContact OE1-NZ 3.17Å; E659-K683 IonicContact OE2-NZ 3.08Å; E659-K683 PolarHBondContact OE2-NZ 3.2Å
660	R	89.4	Confident	81.6	Confident	115 Å²	115	70.4 Å²	70.4	43%	0.434	38%	0.38	S	S	.	.	H	α-helix	trans	-61.7	-45.6	174.6	179.5	-174	67.1	121.2	0.1	112	S544 G656 N657 M658 A664	S544-R660 VanDerWaalsContact CB-CZ 3.47Å; G656-R660 PolarHBondContact O-N 2.78Å; G656-R660 VanDerWaalsContact O-N 3.15Å; N657-R660 WeakPolarHBondContact O-CB 3.28Å; N657-R660 PolarHBondContact O-N 2.97Å; N657-R660 PolarHBondContact OD1-NH2 3.1Å; M658-R660 VanDerWaalsContact C-N 3.3Å; M658-R660 PolarHBondContact O-N 2.96Å; R660-A664 WeakPolarHBondContact O-CB 3.47Å; R660-A664 PolarHBondContact O-N 3.43Å
661	I	88.6	Confident	79.9	Confident	18 Å²	18	78.1 Å²	78.1	9%	0.092	41%	0.411	C	S	.	.	H	α-helix	trans	-64.3	-47.6	-179.4	-64.1	160.6	0	0	0	110.5	P571 Y575 N657 M658 K663 A664 Q665	P571-I661 HydrophobicContact CB-CD1 4.03Å; P571-I661 HydrophobicContact CB-CG1 4.11Å; P571-I661 HydrophobicContact CB-CG2 4.43Å; P571-I661 WeakPolarHBondContact O-CD1 3.49Å; Y575-I661 HydrophobicContact CE2-CG2 3.9Å; N657-I661 WeakPolarHBondContact ND2-CD1 3.39Å; N657-I661 WeakPolarHBondContact O-CG1 3.19Å; N657-I661 PolarHBondContact O-N 2.65Å; M658-I661 PolarHBondContact O-N 3.48Å; I661-K663 PolarHBondContact O-N 2.79Å; I661-A664 PolarHBondContact O-N 2.82Å; I661-A664 VanDerWaalsContact O-N 3.13Å; I661-Q665 PolarHBondContact O-N 3.29Å
662	M	85.2	Confident	78.9	Confident	26 Å²	26	76.7 Å²	76.7	13%	0.128	41%	0.407	C	S	.	.	H	α-helix	trans	-62.4	-42.6	-179.6	-68.9	-67.4	-171.8	0	0	112	Y575 W654 M658 A664 Q665 Q668	Y575-M662 HydrophobicContact CE1-CE 3.49Å; Y575-M662 VanDerWaalsContact CE1-CE 3.49Å; Y575-M662 WeakPolarHBondContact OH-CE 3.27Å; Y575-M662 PolarHBondContact OH-SD 2.9Å; W654-M662 HydrophobicContact CD2-CG 4.28Å; W654-M662 HydrophobicContact CE3-CB 4.21Å; W654-M662 HydrophobicContact CE3-CG 4.27Å; W654-M662 HydrophobicContact CH2-CB 3.6Å; W654-M662 HydrophobicContact CH2-CG 3.64Å; W654-M662 HydrophobicContact CH2-SD 4.35Å; W654-M662 HydrophobicContact CZ2-CB 4.18Å; W654-M662 HydrophobicContact CZ2-CE 4.19Å; W654-M662 HydrophobicContact CZ2-CG 3.68Å; W654-M662 HydrophobicContact CZ2-SD 4.15Å; W654-M662 HydrophobicContact CZ3-CB 3.63Å; W654-M662 HydrophobicContact CZ3-CG 3.97Å; M658-M662 HydrophobicContact CG-CE 4.44Å; M658-M662 HydrophobicContact CG-CG 4.25Å; M658-M662 WeakPolarHBondContact O-CB 3.43Å; M658-M662 VanDerWaalsContact O-CG 3.27Å; M658-M662 WeakPolarHBondContact O-CG 3.46Å; M658-M662 PolarHBondContact O-N 3.24Å; M658-M662 HydrophobicContact SD-CE 3.58Å; M658-M662 VanDerWaalsContact SD-CE 3.58Å; M658-M662 HydrophobicContact SD-CG 4Å; M662-A664 PolarHBondContact O-N 3.48Å; M662-Q665 PolarHBondContact O-N 3.32Å; M662-Q668 PolarHBondContact O-NE2 3.07Å
663	K	83.4	Confident	77.9	Confident	140 Å²	140	75.3 Å²	75.3	61%	0.609	41%	0.41	S	S	*	.	H	α-helix	trans	-64.6	-25.7	175.9	-74.7	178.8	-175.2	174.2	0	113.5	E659 I661	E659-K663 HydrophobicContact CG-CD 4.28Å; E659-K663 WeakPolarHBondContact O-CB 3.34Å; E659-K663 VanDerWaalsContact O-CG 3.3Å; E659-K663 WeakPolarHBondContact O-CG 3.26Å; E659-K663 PolarHBondContact O-N 2.9Å; E659-K663 WeakPolarHBondContact OE1-CE 3.4Å; E659-K663 IonicContact OE1-NZ 3.59Å; E659-K663 PolarHBondContact OE1-NZ 3.17Å; I661-K663 PolarHBondContact O-N 2.79Å
664	A	84.4	Confident	77.1	Confident	83 Å²	83	78.2 Å²	78.2	69%	0.686	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.4	179.9	0	0	0	0	0	113.7	R660 I661 M662 A666	R660-A664 WeakPolarHBondContact O-CB 3.47Å; R660-A664 PolarHBondContact O-N 3.43Å; I661-A664 PolarHBondContact O-N 2.82Å; I661-A664 VanDerWaalsContact O-N 3.13Å; M662-A664 PolarHBondContact O-N 3.48Å; A664-A666 PolarHBondContact O-N 2.76Å
665	Q	82.1	Confident	76.2	Confident	88 Å²	88	78 Å²	78	41%	0.411	43%	0.433	S	S	.	.			trans	-77.4	113.4	-180	-76.3	-177.8	-21.1	0	0	111.9	Y575 I661 M662 Y667 Q668	Y575-Q665 PolarHBondContact OH-NE2 3.31Å; I661-Q665 PolarHBondContact O-N 3.29Å; M662-Q665 PolarHBondContact O-N 3.32Å; Q665-Y667 PolarHBondContact O-N 3.14Å; Q665-Q668 HydrophobicContact CB-CG 4.04Å; Q665-Q668 VanDerWaalsContact OE1-NE2 3.1Å
666	A	67.2	Low	75.3	Confident	96 Å²	96	82.5 Å²	82.5	79%	0.793	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.9	-178.2	0	0	0	0	0	114.7	A664 Q668	A664-A666 PolarHBondContact O-N 2.76Å; A666-Q668 VanDerWaalsContact C-N 3.32Å; A666-Q668 PolarHBondContact O-N 3.22Å
667	Y	64.1	Low	74.7	Confident	229 Å²	229	86.8 Å²	86.8	90%	0.898	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	6.8	-177.1	-66.3	-73.1	0	0	0	114.3	Q665 T669	Q665-Y667 PolarHBondContact O-N 3.14Å; Y667-T669 PolarHBondContact O-N 2.77Å; Y667-T669 VanDerWaalsContact O-N 3.14Å
668	Q	63.7	Low	74.1	Confident	57 Å²	57	90.3 Å²	90.3	27%	0.266	47%	0.472	S	S	.	.			trans	-70.9	111	170.3	-70.9	-169.5	-1.5	0	0	108.5	M662 Q665 A666 G670	M662-Q668 PolarHBondContact O-NE2 3.07Å; Q665-Q668 HydrophobicContact CB-CG 4.04Å; Q665-Q668 VanDerWaalsContact OE1-NE2 3.1Å; A666-Q668 VanDerWaalsContact C-N 3.32Å; A666-Q668 PolarHBondContact O-N 3.22Å; Q668-G670 PolarHBondContact O-N 3.48Å; Q668-G670 VanDerWaalsContact O-N 3.09Å
669	T	56.8	Low	73.4	Confident	105 Å²	105	92.3 Å²	92.3	64%	0.644	49%	0.489	S	S	*	.			trans	-56.6	117.7	167.9	43.4	0	0	0	0	107.8	Y667 K671	Y667-T669 PolarHBondContact O-N 2.77Å; Y667-T669 VanDerWaalsContact O-N 3.14Å; T669-K671 PolarHBondContact O-N 3.42Å; T669-K671 VanDerWaalsContact O-N 3.13Å
670	G	55.2	Low	72.8	Confident	75 Å²	75	94.5 Å²	94.5	77%	0.773	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	122.5	-177	0	0	0	0	0	110.7	Q668	Q668-G670 PolarHBondContact O-N 3.48Å; Q668-G670 VanDerWaalsContact O-N 3.09Å
671	K	55.4	Low	72.6	Confident	186 Å²	186	91.2 Å²	91.2	81%	0.809	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	38.1	179.7	-51.4	172.1	179.5	176.6	0	117.7	T669 I673	T669-K671 PolarHBondContact O-N 3.42Å; T669-K671 VanDerWaalsContact O-N 3.13Å; K671-I673 PolarHBondContact O-N 3.36Å
672	D	65.9	Low	72.6	Confident	81 Å²	81	94.3 Å²	94.3	43%	0.433	51%	0.511	S	S	.	.			trans	-65.7	124.1	160.5	-107.2	-24.8	0	0	0	111	S674 T675 N676	D672-S674 PolarHBondContact O-N 2.64Å; D672-T675 PolarHBondContact O-N 3.49Å; D672-N676 PolarHBondContact O-N 3.19Å; D672-N676 VanDerWaalsContact O-N 3.09Å
673	I	64.7	Low	73	Confident	148 Å²	148	95.3 Å²	95.3	76%	0.759	52%	0.515	S	S	*	.	H	α-helix	trans	-59.9	-36.8	-176.9	-62.1	171.5	0	0	0	110.8	K671 Y677	K671-I673 PolarHBondContact O-N 3.36Å; I673-Y677 WeakPolarHBondContact O-CB 3.49Å; I673-Y677 PolarHBondContact O-N 3.39Å
674	S	68.4	Low	73.5	Confident	63 Å²	63	88.7 Å²	88.7	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-65.1	-44.9	177.1	56.2	0	0	0	0	111.9	D672 Y677 Y678	D672-S674 PolarHBondContact O-N 2.64Å; S674-Y677 WeakPolarHBondContact O-CB 3.17Å; S674-Y677 PolarHBondContact O-N 3Å; S674-Y678 WeakPolarHBondContact O-CD2 3.25Å; S674-Y678 PolarHBondContact O-N 2.84Å
675	T	72.3	Confident	74.1	Confident	28 Å²	28	86.4 Å²	86.4	17%	0.172	46%	0.461	C	S	.	.	H	α-helix	trans	-61.8	-45.5	177.4	-65.4	0	0	0	0	111.6	W654 D672 Y677 Y678 A679	W654-T675 HydrophobicContact CH2-CG2 3.84Å; W654-T675 HydrophobicContact CZ3-CG2 4.35Å; D672-T675 PolarHBondContact O-N 3.49Å; T675-Y677 VanDerWaalsContact C-N 3.33Å; T675-Y677 PolarHBondContact O-N 3.23Å; T675-Y678 PolarHBondContact O-N 2.64Å; T675-A679 VanDerWaalsContact O-CB 3.23Å; T675-A679 WeakPolarHBondContact O-CB 3.25Å; T675-A679 PolarHBondContact O-N 3.49Å
676	N	72.2	Confident	74.7	Confident	96 Å²	96	82.9 Å²	82.9	51%	0.513	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-40	176	-76.9	-16.6	0	0	0	111.8	D672 S680	D672-N676 PolarHBondContact O-N 3.19Å; D672-N676 VanDerWaalsContact O-N 3.09Å; N676-S680 VanDerWaalsContact O-CB 3.23Å; N676-S680 WeakPolarHBondContact O-CB 3.46Å; N676-S680 PolarHBondContact O-N 2.76Å; N676-S680 PolarHBondContact O-OG 2.7Å; N676-S680 VanDerWaalsContact O-OG 3.08Å
677	Y	79	Confident	76.1	Confident	135 Å²	135	78.3 Å²	78.3	53%	0.529	41%	0.407	S	S	.	.	H	α-helix	trans	-59	-52.7	176.3	175.5	-99.7	0	0	0	111.5	I673 S674 T675 S680 Q681	I673-Y677 WeakPolarHBondContact O-CB 3.49Å; I673-Y677 PolarHBondContact O-N 3.39Å; S674-Y677 WeakPolarHBondContact O-CB 3.17Å; S674-Y677 PolarHBondContact O-N 3Å; T675-Y677 VanDerWaalsContact C-N 3.33Å; T675-Y677 PolarHBondContact O-N 3.23Å; Y677-S680 PolarHBondContact O-N 3.3Å; Y677-S680 PolarHBondContact O-OG 3.29Å; Y677-Q681 WeakPolarHBondContact O-CG 3.46Å; Y677-Q681 PolarHBondContact O-N 3Å; Y677-Q681 PolarHBondContact OH-NE2 3.18Å
678	Y	78.4	Confident	77.6	Confident	87 Å²	87	67.6 Å²	67.6	34%	0.341	37%	0.365	S	S	.	.	H	α-helix	trans	-68	-36.7	-179.2	-70.3	-68.8	0	0	0	113.3	Y652 W654 S674 T675 S680 Q681	Y652-Y678 WeakPolarHBondContact O-CE1 3.47Å; W654-Y678 AromaticContact CD1-CG 3.97Å; W654-Y678 VanDerWaalsContact CD2-CB 3.46Å; W654-Y678 HydrophobicContact CD2-CG 4.25Å; W654-Y678 AromaticContact CE2-CD2 3.99Å; W654-Y678 AromaticContact CE2-CG 3.77Å; W654-Y678 HydrophobicContact CG-CG 4.39Å; W654-Y678 HydrophobicContact CZ2-CD2 4.05Å; W654-Y678 HydrophobicContact CZ2-CG 4.2Å; W654-Y678 AromaticContact NE1-CD2 3.81Å; W654-Y678 AromaticContact NE1-CG 3.57Å; S674-Y678 WeakPolarHBondContact O-CD2 3.25Å; S674-Y678 PolarHBondContact O-N 2.84Å; T675-Y678 PolarHBondContact O-N 2.64Å; Y678-S680 VanDerWaalsContact C-N 3.29Å; Y678-S680 PolarHBondContact O-N 3.13Å; Y678-Q681 PolarHBondContact O-N 3.25Å
679	A	75.3	Confident	79	Confident	44 Å²	44	65.8 Å²	65.8	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-28.4	176.1	0	0	0	0	0	112.9	W654 T675 Q681	W654-A679 HydrophobicContact CZ3-CB 4.4Å; T675-A679 VanDerWaalsContact O-CB 3.23Å; T675-A679 WeakPolarHBondContact O-CB 3.25Å; T675-A679 PolarHBondContact O-N 3.49Å; A679-Q681 VanDerWaalsContact C-N 3.33Å
680	S	78.1	Confident	80.6	Confident	84 Å²	84	68.4 Å²	68.4	59%	0.587	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-7.1	178.6	71.2	0	0	0	0	114.1	N676 Y677 Y678 K682	N676-S680 VanDerWaalsContact O-CB 3.23Å; N676-S680 WeakPolarHBondContact O-CB 3.46Å; N676-S680 PolarHBondContact O-N 2.76Å; N676-S680 PolarHBondContact O-OG 2.7Å; N676-S680 VanDerWaalsContact O-OG 3.08Å; Y677-S680 PolarHBondContact O-N 3.3Å; Y677-S680 PolarHBondContact O-OG 3.29Å; Y678-S680 VanDerWaalsContact C-N 3.29Å; Y678-S680 PolarHBondContact O-N 3.13Å; S680-K682 PolarHBondContact O-N 3.5Å
681	Q	84.8	Confident	82.6	Confident	46 Å²	46	66.7 Å²	66.7	22%	0.215	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-66.6	120.3	179.3	-68.7	-161.6	-8.3	0	0	111.3	S650 Y677 Y678 A679	S650-Q681 PolarHBondContact OG-OE1 2.86Å; S650-Q681 VanDerWaalsContact OG-OE1 3.12Å; Y677-Q681 WeakPolarHBondContact O-CG 3.46Å; Y677-Q681 PolarHBondContact O-N 3Å; Y677-Q681 PolarHBondContact OH-NE2 3.18Å; Y678-Q681 PolarHBondContact O-N 3.25Å; A679-Q681 VanDerWaalsContact C-N 3.33Å
682	K	88.6	Confident	84.5	Confident	84 Å²	84	62.3 Å²	62.3	37%	0.365	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-69.1	150.5	174.5	-59	-176	-169.2	-171.3	0	109.8	D629 E632 S680	D629-K682 WeakPolarHBondContact O-CD 3.47Å; D629-K682 WeakPolarHBondContact O-CE 3.43Å; D629-K682 PolarHBondContact O-NZ 3.17Å; D629-K682 IonicContact OD1-NZ 3.44Å; D629-K682 PolarHBondContact OD1-NZ 3.12Å; E632-K682 HydrophobicContact CB-CB 3.98Å; S680-K682 PolarHBondContact O-N 3.5Å
683	K	92.9	Very high	85.9	Confident	46 Å²	46	63.6 Å²	63.6	20%	0.2	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	155	-178.8	-65.3	178.8	-173.4	172	0	110.4	I631 E632 L647 V648 E659	I631-K683 WeakPolarHBondContact CA-O 3.44Å; I631-K683 WeakPolarHBondContact CB-O 3.36Å; E632-K683 PolarHBondContact N-O 3.43Å; L647-K683 HydrophobicContact CB-CB 4.41Å; L647-K683 HydrophobicContact CB-CD 4.33Å; L647-K683 HydrophobicContact CD2-CB 4.19Å; V648-K683 WeakPolarHBondContact O-CB 3.45Å; E659-K683 IonicContact OE2-NZ 3.08Å; E659-K683 PolarHBondContact OE2-NZ 3.2Å
684	T	94.9	Very high	87.3	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128	173.1	-66.1	0	0	0	0	109.4	E594 K633 V635 V648 E686	E594-T684 PolarHBondContact OE1-OG1 3.02Å; K633-T684 HydrophobicContact CD-CG2 4.42Å; K633-T684 WeakPolarHBondContact CE-OG1 3.43Å; K633-T684 HydrophobicContact CG-CG2 3.8Å; V635-T684 HydrophobicContact CG2-CG2 3.73Å; V648-T684 PolarHBondContact N-O 3.26Å; V648-T684 PolarHBondContact O-N 2.87Å; T684-E686 HydrophobicContact CG2-CG 4.17Å
685	F	96.2	Very high	88.6	Confident	36 Å²	36	60.6 Å²	60.6	16%	0.158	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108	175.3	-160.7	-91	0	0	0	109.4	M622 L627 I631 K633 A634 V635 C645 L647 I687	M622-F685 HydrophobicContact SD-CD1 4.25Å; M622-F685 HydrophobicContact SD-CE1 4.2Å; L627-F685 HydrophobicContact CD1-CD1 4.41Å; L627-F685 HydrophobicContact CD1-CD2 3.86Å; L627-F685 HydrophobicContact CD1-CE2 4.01Å; L627-F685 HydrophobicContact CD1-CG 4.08Å; L627-F685 HydrophobicContact CD1-CZ 4.34Å; I631-F685 HydrophobicContact CB-CB 4.41Å; I631-F685 HydrophobicContact CD1-CB 3.68Å; I631-F685 HydrophobicContact CD1-CG 4.48Å; I631-F685 HydrophobicContact CG2-CB 4.1Å; I631-F685 HydrophobicContact CG2-CD2 4.33Å; K633-F685 PolarHBondContact O-N 2.86Å; A634-F685 CarbonylContact C-O 3.42Å; A634-F685 VanDerWaalsContact CA-O 3.26Å; A634-F685 WeakPolarHBondContact CA-O 3.11Å; V635-F685 PolarHBondContact N-O 3.21Å; C645-F685 HydrophobicContact CB-CD1 4.47Å; C645-F685 HydrophobicContact CB-CE1 3.61Å; C645-F685 HydrophobicContact CB-CZ 3.64Å; L647-F685 HydrophobicContact CD2-CD2 3.64Å; L647-F685 HydrophobicContact CD2-CE2 4.37Å; L647-F685 HydrophobicContact CG-CD2 4.42Å; F685-I687 HydrophobicContact CD1-CG2 3.76Å; F685-I687 HydrophobicContact CE1-CG2 3.69Å
686	E	95.3	Very high	89.6	Confident	14 Å²	14	61.5 Å²	61.5	7%	0.065	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135	176.9	-63.1	-164	179.9	0	0	110.7	V635 S637 R639 C645 A646 V648 T684	V635-E686 HydrophobicContact CG2-CB 4.5Å; V635-E686 HydrophobicContact CG2-CG 3.8Å; V635-E686 CarbonylContact O-C 3.53Å; V635-E686 VanDerWaalsContact O-CA 3.3Å; V635-E686 WeakPolarHBondContact O-CA 3.39Å; S637-E686 WeakPolarHBondContact CB-OE2 3.24Å; S637-E686 PolarHBondContact OG-OE2 3.48Å; R639-E686 IonicContact CZ-OE1 2.92Å; R639-E686 IonicContact CZ-OE2 3.61Å; R639-E686 IonicContact NE-OE1 3.63Å; R639-E686 PolarHBondContact NE-OE1 3.19Å; R639-E686 IonicContact NE-OE2 2.82Å; R639-E686 PolarHBondContact NE-OE2 3.29Å; R639-E686 IonicContact NH2-OE1 3.42Å; R639-E686 PolarHBondContact NH2-OE1 3.16Å; R639-E686 IonicContact NH2-OE2 3.76Å; C645-E686 CarbonylContact C-O 3.56Å; C645-E686 WeakPolarHBondContact CA-O 3.15Å; C645-E686 VanDerWaalsContact CB-O 3.31Å; C645-E686 WeakPolarHBondContact CB-O 3.13Å; A646-E686 PolarHBondContact N-O 3.49Å; A646-E686 PolarHBondContact O-N 3.04Å; V648-E686 HydrophobicContact CB-CG 4.37Å; V648-E686 HydrophobicContact CG2-CG 3.74Å; T684-E686 HydrophobicContact CG2-CG 4.17Å
687	I	96.1	Very high	90.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151	177.9	62.8	168.1	0	0	0	113	F615 L618 L619 M622 V635 S637 C645 F685 P689 I694	F615-I687 HydrophobicContact CD1-CD1 4.1Å; L618-I687 HydrophobicContact CD2-CD1 3.83Å; L618-I687 HydrophobicContact CG-CD1 4.46Å; L619-I687 HydrophobicContact CD2-CD1 3.52Å; L619-I687 HydrophobicContact CD2-CG1 3.86Å; L619-I687 HydrophobicContact CG-CD1 4.48Å; M622-I687 HydrophobicContact CE-CG2 4.07Å; M622-I687 HydrophobicContact SD-CG2 3.8Å; V635-I687 PolarHBondContact O-N 3.27Å; S637-I687 VanDerWaalsContact CB-O 3.28Å; S637-I687 WeakPolarHBondContact CB-O 3.38Å; S637-I687 PolarHBondContact N-O 3.12Å; C645-I687 HydrophobicContact CB-CG2 4.38Å; F685-I687 HydrophobicContact CD1-CG2 3.76Å; F685-I687 HydrophobicContact CE1-CG2 3.69Å; I687-P689 WeakPolarHBondContact O-CD 3.19Å; I687-I694 HydrophobicContact CB-CD1 4.23Å; I687-I694 HydrophobicContact CB-CG2 4.22Å; I687-I694 HydrophobicContact CD1-CG2 3.85Å; I687-I694 HydrophobicContact CG1-CG2 4.42Å; I687-I694 HydrophobicContact CG2-CD1 4.23Å
688	N	95.3	Very high	91.4	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.267	C	S	.	.			trans	-98.2	108.3	175.5	-179.8	-0.7	0	0	0	111.3	L640 T641 S643 P644 R690 H691 I694	L640-N688 HydrophobicContact CB-CB 3.91Å; L640-N688 HydrophobicContact CD1-CB 4.08Å; T641-N688 VanDerWaalsContact C-ND2 3.27Å; T641-N688 PolarHBondContact O-ND2 3.14Å; S643-N688 WeakPolarHBondContact O-CB 3.28Å; S643-N688 PolarHBondContact O-ND2 3.01Å; P644-N688 PolarHBondContact O-N 2.87Å; N688-R690 PolarHBondContact O-N 3.33Å; N688-R690 VanDerWaalsContact O-N 3.13Å; N688-R690 WeakPolarHBondContact OD1-CB 3.38Å; N688-R690 PolarHBondContact OD1-N 3.34Å; N688-H691 HydrophobicContact CB-CB 4.11Å; N688-H691 WeakPolarHBondContact O-CB 3.28Å; N688-H691 PolarHBondContact O-N 3.28Å; N688-H691 VanDerWaalsContact O-N 3.08Å; N688-I694 VanDerWaalsContact O-CB 3.31Å; N688-I694 WeakPolarHBondContact O-CB 3.45Å; N688-I694 WeakPolarHBondContact O-CG1 3.31Å; N688-I694 WeakPolarHBondContact O-CG2 3.48Å
689	P	93.1	Very high	92.1	Very high	18 Å²	18	57.8 Å²	57.8	12%	0.117	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.1	-174.7	31.1	-36.1	0	0	0	113.3	V611 F615 V636 I687 R695	V611-P689 HydrophobicContact CG1-CB 3.48Å; V611-P689 VanDerWaalsContact CG1-CB 3.48Å; V611-P689 HydrophobicContact CG1-CG 3.62Å; F615-P689 HydrophobicContact CD2-CB 3.9Å; F615-P689 HydrophobicContact CE1-CB 4.21Å; F615-P689 HydrophobicContact CE2-CB 3.49Å; F615-P689 VanDerWaalsContact CE2-CB 3.49Å; F615-P689 HydrophobicContact CG-CB 4.39Å; F615-P689 HydrophobicContact CZ-CB 3.66Å; V636-P689 HydrophobicContact CG1-CB 4.44Å; V636-P689 HydrophobicContact CG1-CG 3.73Å; I687-P689 WeakPolarHBondContact O-CD 3.19Å; P689-R695 WeakPolarHBondContact O-CG 3.49Å; P689-R695 PolarHBondContact O-NE 3.18Å
690	R	91	Very high	93	Very high	161 Å²	161	63.5 Å²	63.5	61%	0.608	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-15.2	175.8	-60.1	-177.1	-178.3	128.1	1.5	112.6	N688	N688-R690 PolarHBondContact O-N 3.33Å; N688-R690 VanDerWaalsContact O-N 3.13Å; N688-R690 WeakPolarHBondContact OD1-CB 3.38Å; N688-R690 PolarHBondContact OD1-N 3.34Å
691	H	95.9	Very high	93.5	Very high	38 Å²	38	60 Å²	60	18%	0.176	27%	0.266	C	S	.	.	S	Bend	trans	-74.3	133.7	-175	-165.9	-84.3	0	0	0	111.1	E642 P644 N688 L693 I694 R695	E642-H691 PolarHBondContact O-CD2 3.46Å; P644-H691 HydrophobicContact CB-CB 4.4Å; N688-H691 HydrophobicContact CB-CB 4.11Å; N688-H691 WeakPolarHBondContact O-CB 3.28Å; N688-H691 PolarHBondContact O-N 3.28Å; N688-H691 VanDerWaalsContact O-N 3.08Å; H691-L693 VanDerWaalsContact C-N 3.31Å; H691-L693 WeakPolarHBondContact ND1-CB 3.37Å; H691-L693 PolarHBondContact ND1-N 3.33Å; H691-L693 VanDerWaalsContact ND1-N 3.18Å; H691-L693 PolarHBondContact O-N 3.36Å; H691-I694 HydrophobicContact CB-CB 4.32Å; H691-I694 HydrophobicContact CB-CG1 4Å; H691-I694 PolarHBondContact O-N 3.36Å; H691-I694 VanDerWaalsContact O-N 3.09Å; H691-R695 PolarHBondContact O-N 2.79Å; H691-R695 VanDerWaalsContact O-N 3.14Å
692	P	95.3	Very high	93.6	Very high	94 Å²	94	62.1 Å²	62.1	61%	0.61	28%	0.275	S	S	*	.	H	α-helix	trans	-54.4	-42.7	-178.5	-28.1	35.2	0	0	0	113.8	I694 R695 D696	P692-I694 PolarHBondContact O-N 3.29Å; P692-R695 PolarHBondContact O-N 3.42Å; P692-D696 PolarHBondContact O-N 3.37Å
693	L	95.3	Very high	93.2	Very high	109 Å²	109	62.6 Å²	62.6	57%	0.571	29%	0.285	S	S	*	.	H	α-helix	trans	-60.4	-42.9	177.7	-63.7	174.4	0	0	0	112.6	H691 R695 D696 M697	H691-L693 VanDerWaalsContact C-N 3.31Å; H691-L693 WeakPolarHBondContact ND1-CB 3.37Å; H691-L693 PolarHBondContact ND1-N 3.33Å; H691-L693 VanDerWaalsContact ND1-N 3.18Å; H691-L693 PolarHBondContact O-N 3.36Å; L693-R695 VanDerWaalsContact C-N 3.33Å; L693-R695 PolarHBondContact O-N 3.05Å; L693-D696 PolarHBondContact O-N 3.11Å; L693-M697 WeakPolarHBondContact O-CG 3.47Å; L693-M697 PolarHBondContact O-N 3.22Å
694	I	95.8	Very high	91.8	Very high	7 Å²	7	67.6 Å²	67.6	4%	0.036	31%	0.309	C	S	.	.	H	α-helix	trans	-69.6	-35.5	-177.1	-61.2	-60.9	0	0	0	110.6	F615 L618 P644 I687 N688 H691 P692 L698	F615-I694 HydrophobicContact CD1-CG2 4.2Å; F615-I694 HydrophobicContact CE1-CG2 3.73Å; L618-I694 HydrophobicContact CD2-CG2 3.93Å; P644-I694 HydrophobicContact CB-CD1 4.36Å; P644-I694 HydrophobicContact CB-CG1 4.21Å; P644-I694 WeakPolarHBondContact O-CG1 3.49Å; I687-I694 HydrophobicContact CB-CD1 4.23Å; I687-I694 HydrophobicContact CB-CG2 4.22Å; I687-I694 HydrophobicContact CD1-CG2 3.85Å; I687-I694 HydrophobicContact CG1-CG2 4.42Å; I687-I694 HydrophobicContact CG2-CD1 4.23Å; N688-I694 VanDerWaalsContact O-CB 3.31Å; N688-I694 WeakPolarHBondContact O-CB 3.45Å; N688-I694 WeakPolarHBondContact O-CG1 3.31Å; N688-I694 WeakPolarHBondContact O-CG2 3.48Å; H691-I694 HydrophobicContact CB-CB 4.32Å; H691-I694 HydrophobicContact CB-CG1 4Å; H691-I694 PolarHBondContact O-N 3.36Å; H691-I694 VanDerWaalsContact O-N 3.09Å; P692-I694 PolarHBondContact O-N 3.29Å; I694-L698 PolarHBondContact O-N 3.23Å; I694-L698 VanDerWaalsContact O-N 3.08Å
695	R	94.2	Very high	90.1	Very high	140 Å²	140	73.7 Å²	73.7	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-67.8	-40.9	173.3	-70.3	178	171.2	-170.4	-9.4	112.8	F615 P689 H691 P692 L693 L698 R699	F615-R695 HydrophobicContact CZ-CG 4.23Å; P689-R695 WeakPolarHBondContact O-CG 3.49Å; P689-R695 PolarHBondContact O-NE 3.18Å; H691-R695 PolarHBondContact O-N 2.79Å; H691-R695 VanDerWaalsContact O-N 3.14Å; P692-R695 PolarHBondContact O-N 3.42Å; L693-R695 VanDerWaalsContact C-N 3.33Å; L693-R695 PolarHBondContact O-N 3.05Å; R695-L698 PolarHBondContact O-N 3.17Å; R695-R699 PolarHBondContact O-N 3.23Å
696	D	94.9	Very high	87.8	Confident	48 Å²	48	79.1 Å²	79.1	26%	0.257	36%	0.363	S	S	.	.	H	α-helix	trans	-66.1	-39.9	176.6	-163.4	66.5	0	0	0	111.3	P692 L693 L698 R699 R700	P692-D696 PolarHBondContact O-N 3.37Å; L693-D696 PolarHBondContact O-N 3.11Å; D696-L698 PolarHBondContact O-N 3.25Å; D696-R699 WeakPolarHBondContact O-CB 3.41Å; D696-R699 PolarHBondContact O-N 3.07Å; D696-R699 IonicContact OD1-NH1 3.34Å; D696-R699 PolarHBondContact OD1-NH1 2.61Å; D696-R700 WeakPolarHBondContact O-CG 3.31Å; D696-R700 PolarHBondContact O-N 3.14Å; D696-R700 IonicContact OD2-CZ 3.31Å; D696-R700 IonicContact OD2-NE 3.62Å; D696-R700 PolarHBondContact OD2-NE 3.44Å; D696-R700 IonicContact OD2-NH2 2.72Å; D696-R700 PolarHBondContact OD2-NH2 2.93Å
697	M	93.8	Very high	85.3	Confident	69 Å²	69	83.8 Å²	83.8	34%	0.34	40%	0.395	S	S	.	.	H	α-helix	trans	-60	-44.9	173.1	-71.8	-173.5	84.3	0	0	112.1	L618 W621 M622 L693 R699 R700 I701	L618-M697 HydrophobicContact CD1-CB 3.93Å; L618-M697 HydrophobicContact CD2-CB 4.44Å; W621-M697 HydrophobicContact CH2-CE 4.38Å; W621-M697 HydrophobicContact CZ3-CE 3.97Å; M622-M697 HydrophobicContact CE-CE 4.1Å; M622-M697 HydrophobicContact CE-SD 4.11Å; L693-M697 WeakPolarHBondContact O-CG 3.47Å; L693-M697 PolarHBondContact O-N 3.22Å; M697-R699 VanDerWaalsContact C-N 3.28Å; M697-R699 PolarHBondContact O-N 3.46Å; M697-R700 PolarHBondContact O-N 3.41Å; M697-I701 WeakPolarHBondContact O-CG1 3.4Å; M697-I701 PolarHBondContact O-N 3.42Å; M697-I701 VanDerWaalsContact O-N 3.15Å
698	L	93.9	Very high	82.7	Confident	7 Å²	7	92.9 Å²	92.9	4%	0.037	44%	0.437	C	S	.	.	H	α-helix	trans	-59.6	-40.9	175.3	-178.4	65.8	0	0	0	111.5	E614 F615 L618 I694 R695 D696 I701 K702	E614-L698 HydrophobicContact CG-CD2 4.17Å; F615-L698 HydrophobicContact CD1-CB 4.39Å; F615-L698 HydrophobicContact CD1-CD2 3.87Å; F615-L698 HydrophobicContact CD1-CG 4.5Å; F615-L698 HydrophobicContact CD2-CD2 4.25Å; F615-L698 HydrophobicContact CE1-CB 4.1Å; F615-L698 HydrophobicContact CE1-CD2 3.72Å; F615-L698 HydrophobicContact CE1-CG 4.45Å; F615-L698 HydrophobicContact CE2-CD2 4.14Å; F615-L698 HydrophobicContact CG-CD2 4.14Å; F615-L698 HydrophobicContact CZ-CD2 3.89Å; L618-L698 HydrophobicContact CB-CD1 3.71Å; L618-L698 HydrophobicContact CD2-CB 4.27Å; I694-L698 PolarHBondContact O-N 3.23Å; I694-L698 VanDerWaalsContact O-N 3.08Å; R695-L698 PolarHBondContact O-N 3.17Å; D696-L698 PolarHBondContact O-N 3.25Å; L698-I701 PolarHBondContact O-N 3.36Å; L698-K702 HydrophobicContact CG-CD 4.33Å; L698-K702 WeakPolarHBondContact O-CG 3.2Å; L698-K702 PolarHBondContact O-N 2.95Å; L698-K702 VanDerWaalsContact O-N 3.13Å
699	R	93.9	Very high	80.1	Confident	164 Å²	164	101.5 Å²	101.5	62%	0.619	48%	0.477	S	S	*	.	H	α-helix	trans	-60.6	-47.5	177.5	-173	-169.3	-62.6	156.8	-2.5	111.5	R695 D696 M697 I701 K702 V703	R695-R699 PolarHBondContact O-N 3.23Å; D696-R699 WeakPolarHBondContact O-CB 3.41Å; D696-R699 PolarHBondContact O-N 3.07Å; D696-R699 IonicContact OD1-NH1 3.34Å; D696-R699 PolarHBondContact OD1-NH1 2.61Å; M697-R699 VanDerWaalsContact C-N 3.28Å; M697-R699 PolarHBondContact O-N 3.46Å; R699-I701 VanDerWaalsContact C-N 3.34Å; R699-I701 PolarHBondContact O-N 2.87Å; R699-K702 PolarHBondContact O-N 3.04Å; R699-V703 WeakPolarHBondContact O-CG2 3.38Å; R699-V703 PolarHBondContact O-N 3.44Å; R699-V703 VanDerWaalsContact O-N 3.16Å
700	R	93.1	Very high	77.6	Confident	164 Å²	164	109.4 Å²	109.4	62%	0.619	51%	0.513	S	S	*	.	H	α-helix	trans	-62	-41.2	-178.9	-67.4	178.6	-166	-144	0.8	112.5	D696 M697 K702 V703 E704	D696-R700 WeakPolarHBondContact O-CG 3.31Å; D696-R700 PolarHBondContact O-N 3.14Å; D696-R700 IonicContact OD2-CZ 3.31Å; D696-R700 IonicContact OD2-NE 3.62Å; D696-R700 PolarHBondContact OD2-NE 3.44Å; D696-R700 IonicContact OD2-NH2 2.72Å; D696-R700 PolarHBondContact OD2-NH2 2.93Å; M697-R700 PolarHBondContact O-N 3.41Å; R700-K702 VanDerWaalsContact C-N 3.34Å; R700-K702 PolarHBondContact O-N 3.09Å; R700-V703 PolarHBondContact O-N 2.92Å; R700-E704 PolarHBondContact O-N 3.26Å
701	I	90	Very high	75.1	Confident	9 Å²	9	107.4 Å²	107.4	5%	0.046	52%	0.521	C	S	.	.	H	α-helix	trans	-66.8	-37.8	178.9	-67.3	174.8	0	0	0	111.4	L618 W621 M697 L698 R699 V703 E704 E705	L618-I701 HydrophobicContact CB-CD1 4.27Å; L618-I701 HydrophobicContact CD1-CD1 3.21Å; L618-I701 HydrophobicContact CD1-CG1 4.49Å; L618-I701 HydrophobicContact CG-CD1 4.32Å; W621-I701 HydrophobicContact CB-CD1 3.82Å; W621-I701 HydrophobicContact CB-CG2 4.46Å; W621-I701 HydrophobicContact CD2-CD1 3.54Å; W621-I701 HydrophobicContact CD2-CG1 4.27Å; W621-I701 HydrophobicContact CE3-CD1 3.62Å; W621-I701 HydrophobicContact CG-CD1 3.63Å; W621-I701 HydrophobicContact CG-CG1 4.28Å; W621-I701 HydrophobicContact CZ3-CD1 4.35Å; M697-I701 WeakPolarHBondContact O-CG1 3.4Å; M697-I701 PolarHBondContact O-N 3.42Å; M697-I701 VanDerWaalsContact O-N 3.15Å; L698-I701 PolarHBondContact O-N 3.36Å; R699-I701 VanDerWaalsContact C-N 3.34Å; R699-I701 PolarHBondContact O-N 2.87Å; I701-V703 VanDerWaalsContact C-N 3.28Å; I701-V703 PolarHBondContact O-N 3.02Å; I701-E704 PolarHBondContact O-N 2.89Å; I701-E705 PolarHBondContact O-N 3.47Å
702	K	86.8	Confident	72.4	Confident	91 Å²	91	114.8 Å²	114.8	40%	0.396	56%	0.555	S	S	.	*	H	α-helix	trans	-65.1	-32.2	175.4	-73.1	-179.9	177.9	-179.7	0	112.7	L698 R699 R700	L698-K702 HydrophobicContact CG-CD 4.33Å; L698-K702 WeakPolarHBondContact O-CG 3.2Å; L698-K702 PolarHBondContact O-N 2.95Å; L698-K702 VanDerWaalsContact O-N 3.13Å; R699-K702 PolarHBondContact O-N 3.04Å; R700-K702 VanDerWaalsContact C-N 3.34Å; R700-K702 PolarHBondContact O-N 3.09Å
703	V	80.1	Confident	69.6	Low	94 Å²	94	119.8 Å²	119.8	57%	0.57	57%	0.57	S	S	*	*	H	α-helix	trans	-76.3	-35.6	177.3	175.5	0	0	0	0	111.7	R699 R700 I701 E705 E706	R699-V703 WeakPolarHBondContact O-CG2 3.38Å; R699-V703 PolarHBondContact O-N 3.44Å; R699-V703 VanDerWaalsContact O-N 3.16Å; R700-V703 PolarHBondContact O-N 2.92Å; I701-V703 VanDerWaalsContact C-N 3.28Å; I701-V703 PolarHBondContact O-N 3.02Å; V703-E705 VanDerWaalsContact C-N 3.25Å; V703-E705 PolarHBondContact O-N 3.46Å; V703-E706 PolarHBondContact O-N 3.05Å
704	E	63.2	Low	66.6	Low	152 Å²	152	121.1 Å²	121.1	71%	0.71	58%	0.583	S	S	*	*	H	α-helix	trans	-69.7	-17.7	174.3	-80.5	-177	170.5	0	0	114	R700 I701	R700-E704 PolarHBondContact O-N 3.26Å; I701-E704 PolarHBondContact O-N 2.89Å
705	E	58.8	Low	63.9	Low	129 Å²	129	125.2 Å²	125.2	60%	0.603	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-9.3	176.8	-75.1	-173.5	166.2	0	0	113.8	I701 V703	I701-E705 PolarHBondContact O-N 3.47Å; V703-E705 VanDerWaalsContact C-N 3.25Å; V703-E705 PolarHBondContact O-N 3.46Å
706	E	47.9	Very low	61	Low	150 Å²	150	127.7 Å²	127.7	70%	0.701	64%	0.636	S	S	*	*	S	Bend	trans	-87.1	114.6	167.7	-74.5	-176.9	172.8	0	0	108.5	V703 E708	V703-E706 PolarHBondContact O-N 3.05Å; E706-E708 PolarHBondContact O-N 2.98Å
707	P	43	Very low	58.1	Low	112 Å²	112	131.9 Å²	131.9	73%	0.727	66%	0.658	S	S	*	*			trans	-63.9	132.8	173	26.5	-30	0	0	0	108.6	E709	P707-E709 PolarHBondContact O-N 3.16Å
708	E	42.6	Very low	55.1	Low	191 Å²	191	134.8 Å²	134.8	89%	0.893	68%	0.68	S	S	*	*			trans	-54.6	106.9	164.3	-74.8	-179.9	155	0	0	107.6	E706 E710	E706-E708 PolarHBondContact O-N 2.98Å; E708-E710 PolarHBondContact O-N 3.37Å; E708-E710 VanDerWaalsContact O-N 3.09Å
709	E	40.8	Very low	52.1	Low	185 Å²	185	139.4 Å²	139.4	86%	0.864	71%	0.709	S	S	*	*			trans	-64	105.7	163.1	-77.5	-175	160.6	0	0	106.8	P707	P707-E709 PolarHBondContact O-N 3.16Å
710	E	38.8	Very low	49.3	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	72%	0.716	S	S	*	*			trans	-55.1	127	166.4	-71.3	-173.8	162.9	0	0	108.6	E708 E712	E708-E710 PolarHBondContact O-N 3.37Å; E708-E710 VanDerWaalsContact O-N 3.09Å; E710-E712 PolarHBondContact O-N 2.67Å
711	P	40.1	Very low	46.3	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	72%	0.717	S	S	*	*			trans	-72.4	124.6	177.2	28	-29.7	0	0	0	109.5	E713	P711-E713 PolarHBondContact O-N 2.61Å; P711-E713 VanDerWaalsContact O-N 3.15Å
712	E	38.8	Very low	43.5	Very low	193 Å²	193	142.3 Å²	142.3	90%	0.902	75%	0.747	S	S	*	*			trans	-56	113.9	165.8	-79.1	-175.8	149.4	0	0	109.8	E710 T714	E710-E712 PolarHBondContact O-N 2.67Å; E712-T714 PolarHBondContact O-N 3.42Å
713	E	36.1	Very low	41	Very low	198 Å²	198	145.4 Å²	145.4	93%	0.925	76%	0.763	S	S	*	*			trans	-68.2	115.1	167.8	-86.2	-174.2	153.3	0	0	110.4	P711	P711-E713 PolarHBondContact O-N 2.61Å; P711-E713 VanDerWaalsContact O-N 3.15Å
714	T	33.4	Very low	38.7	Very low	137 Å²	137	148.5 Å²	148.5	84%	0.84	77%	0.772	S	S	*	*			trans	-85.6	133.8	158.1	38.9	0	0	0	0	110.1	E712	E712-T714 PolarHBondContact O-N 3.42Å
715	A	38.5	Very low	37.3	Very low	93 Å²	93	147.8 Å²	147.8	77%	0.769	77%	0.773	S	S	*	*			trans	-62.6	148.3	-172.9	0	0	0	0	0	115.7
716	E	32.8	Very low	36.1	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	78%	0.78	S	S	*	*				-176	116.1	125.4	-102.7	174.4	-173.3	0	0	113
717	D	34.2	Very low	35.6	Very low	136 Å²	136	148.7 Å²	148.7	73%	0.727	78%	0.781	S	S	*	*			trans	29.3	123.4	138.3	-145	0.6	0	0	0	121.7
718	T	31.1	Very low	35.2	Very low	131 Å²	131	152.1 Å²	152.1	80%	0.804	79%	0.788	S	S	*	*				-177.1	106.5	128	22.5	0	0	0	0	112.6
719	T	31.3	Very low	34.9	Very low	104 Å²	104	151.9 Å²	151.9	64%	0.638	79%	0.786	S	S	*	*			trans	30.4	138.4	133.8	53.4	0	0	0	0	124.4
720	E	33.4	Very low	34.6	Very low	167 Å²	167	151.5 Å²	151.5	78%	0.78	79%	0.787	S	S	*	*			trans	74.5	136.2	147.1	-72.5	171.6	176.6	0	0	116.7
721	D	31.7	Very low	34.6	Very low	120 Å²	120	150 Å²	150	64%	0.642	79%	0.785	S	S	*	*			cis	-173.9	150.5	17.1	-118.5	-20.7	0	0	0	109.2
722	T	31.1	Very low	34.4	Very low	110 Å²	110	150.1 Å²	150.1	68%	0.675	78%	0.783	S	S	*	*			trans	55.4	148.9	145.8	58	0	0	0	0	120.1
723	E	32.9	Very low	34.3	Very low	157 Å²	157	144 Å²	144	73%	0.734	77%	0.772	S	S	*	*			cis	-170.9	131.6	10.1	-110	164.7	-174.6	0	0	103.9
724	Q	32.7	Very low	34.2	Very low	159 Å²	159	140.1 Å²	140.1	74%	0.743	76%	0.762	S	S	*	*				67.1	125.3	104	-98.1	-176.5	-17.9	0	0	118.1
725	D	33.5	Very low	34.4	Very low	137 Å²	137	139.4 Å²	139.4	73%	0.733	75%	0.753	S	S	*	*			trans	143.1	105.4	140.6	-70.4	-14.2	0	0	0	108.6
726	E	34.4	Very low	34.3	Very low	160 Å²	160	142.7 Å²	142.7	75%	0.748	75%	0.752	S	S	*	*				45.3	139.7	76.3	-66.4	-172.8	-174.8	0	0	112.4
727	D	35.7	Very low	34.4	Very low	138 Å²	138	141 Å²	141	74%	0.738	74%	0.744	S	S	*	*			cis	-165.7	164.1	-11.8	-108.4	-26.6	0	0	0	104.4
728	E	34.8	Very low	34.5	Very low	184 Å²	184	142.8 Å²	142.8	86%	0.86	75%	0.749	S	S	*	*			trans	141.8	115.6	132.9	-78.4	-168.5	156.7	0	0	115.5
729	E	37.9	Very low	34.7	Very low	185 Å²	185	144 Å²	144	86%	0.864	75%	0.745	S	S	*	*			trans	-71.6	158	161.8	-65.5	177.7	138	0	0	112.7
730	M	33.3	Very low	34.9	Very low	178 Å²	178	144.7 Å²	144.7	88%	0.877	75%	0.749	S	S	*	*			trans	-177.8	105.3	136.2	-101.7	-169.4	-69.7	0	0	106.5
731	D	38.1	Very low	35	Very low	152 Å²	152	140.7 Å²	140.7	81%	0.813	75%	0.745	S	S	*	*				81.1	149.3	71.1	-159.7	28.3	0	0	0	115.3
732	V	37.3	Very low	35.2	Very low	121 Å²	121	143.9 Å²	143.9	73%	0.733	75%	0.753	S	S	*	*			trans	86.5	105.2	169.1	-157.6	0	0	0	0	114.5
733	G	35.4	Very low	35.3	Very low	65 Å²	65	146.5 Å²	146.5	67%	0.67	76%	0.757	S	S	*	*				105.3	139.4	61	0	0	0	0	0	106.7
734	T	35.2	Very low	35.3	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	76%	0.757	S	S	*	*			cis	-177	145.7	28.6	27.4	0	0	0	0	106.6
735	D	36.6	Very low	35.3	Very low	122 Å²	122	142.8 Å²	142.8	65%	0.652	76%	0.761	S	S	*	*			trans	64.8	116.4	130.9	-54.9	-16.4	0	0	0	119.8
736	E	37.1	Very low	35.6	Very low	163 Å²	163	140.6 Å²	140.6	76%	0.762	76%	0.762	S	S	*	*				101.3	140.3	93	-87.3	-178.9	174.1	0	0	107.9
737	E	35	Very low	35.7	Very low	156 Å²	156	141 Å²	141	73%	0.729	76%	0.764	S	S	*	*			cis	-155.5	141.9	10.5	-100.3	164	160.4	0	0	103.7
738	E	35.1	Very low	36	Very low	174 Å²	174	142.6 Å²	142.6	81%	0.813	76%	0.764	S	S	*	*				46.6	126.7	90.5	-92.9	-177.2	175.3	0	0	113.5
739	E	37.2	Very low	36.5	Very low	157 Å²	157	141 Å²	141	73%	0.734	76%	0.761	S	S	*	*				-171.9	142.5	52.7	-125.3	-173	152.1	0	0	110.1
740	T	35.2	Very low	37	Very low	117 Å²	117	140.7 Å²	140.7	72%	0.718	76%	0.76	S	S	*	*				36.9	155	126	70.1	0	0	0	0	121.3
741	A	35.8	Very low	37.4	Very low	84 Å²	84	144 Å²	144	69%	0.694	78%	0.78	S	S	*	*			cis	-170.2	157.5	-5.3	0	0	0	0	0	109.4
742	K	34.8	Very low	37.4	Very low	186 Å²	186	143.6 Å²	143.6	81%	0.809	78%	0.778	S	S	*	*			trans	46.5	134.3	140	-69.2	-178.1	175.8	179.4	0	123.1
743	E	34.3	Very low	37.4	Very low	165 Å²	165	144.7 Å²	144.7	77%	0.771	78%	0.78	S	S	*	*				120.8	121.5	116.9	-111.9	173.8	-152	0	0	119.5
744	S	32.8	Very low	37.5	Very low	103 Å²	103	149.2 Å²	149.2	72%	0.72	79%	0.787	S	S	*	*			trans	64.8	145.5	152.4	77.2	0	0	0	0	117.2
745	T	32.5	Very low	37.6	Very low	135 Å²	135	151.1 Å²	151.1	83%	0.828	79%	0.791	S	S	*	*			cis	-161.6	166.6	46.7	30.6	0	0	0	0	111.3
746	A	39.1	Very low	37.6	Very low	91 Å²	91	152.9 Å²	152.9	75%	0.752	80%	0.8	S	S	*	*			trans	-79.8	152.9	172.2	0	0	0	0	0	113.8
747	E	36.6	Very low	37.7	Very low	169 Å²	169	152.3 Å²	152.3	79%	0.79	80%	0.802	S	S	*	*			trans	163.3	121.1	134.1	-98.2	-173.6	142.8	0	0	109.3
748	K	42.6	Very low	37.9	Very low	172 Å²	172	152 Å²	152	75%	0.748	81%	0.807	S	S	*	*				54.5	114.5	104.6	-80.9	-173.5	176.4	178.8	0	114.8
749	D	43.8	Very low	38.1	Very low	150 Å²	150	150.3 Å²	150.3	80%	0.802	81%	0.807	S	S	*	*				177.4	162.1	105.4	-93.8	-18.1	0	0	0	112.8
750	E	49.5	Very low	38.2	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	81%	0.813	S	S	*	*			trans	-55.2	148	-171	-62.5	168	139.7	0	0	116.9
751	L	41	Very low	38.4	Very low	247 Å²	247	152.7 Å²	152.7	100%	1.293	82%	0.822	S	S	*	*				-165.6	0	121.7	-104.2	157.8	0	0	0	111.4

Retrieved 751 of 751 residues in 359 ms (Link to these results)

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