A0A061I1Y1_CRIGR Loading...

MPN domain-containing protein

Probable protease. Acts as a sensor of N(6)-methyladenosine methylation on DNA (m6A): recognizes and binds m6A DNA, leading to its degradation. Binds only double strand DNA (dsDNA) in a sequence-independent manner.

AlphaFold DB , UniProt , Accession A0A061I1Y1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mpnd, Length 487 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	40.8	Very low	33.3	Very low	248 Å²	248	130.7 Å²	130.7	100%	1.222	84%	0.839	S	S	*	*				0	124.2	0	-76	178.6	-179	0	0	106.7
2	A	28	Very low	33	Very low	108 Å²	108	127.9 Å²	127.9	89%	0.893	84%	0.836	S	S	*	*			trans	-68	146	-168.4	0	0	0	0	0	112.9
3	A	25.7	Very low	32.7	Very low	90 Å²	90	125.5 Å²	125.5	74%	0.744	83%	0.833	S	S	*	*			trans	-97.3	-169.8	168.8	0	0	0	0	0	109.2
4	P	39.2	Very low	32.5	Very low	113 Å²	113	129.9 Å²	129.9	73%	0.734	84%	0.835	S	S	*	*			cis	-143.5	-170.7	-11.8	40.8	-20.1	0	0	0	115.6
5	E	33.8	Very low	32.3	Very low	162 Å²	162	134.4 Å²	134.4	76%	0.757	84%	0.841	S	S	*	*			trans	77.5	137.7	149.1	-67.1	-153.1	144.6	0	0	125.5
6	P	41.4	Very low	32.4	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	84%	0.84	S	S	*	*			trans	-109.4	132.1	159.1	36.4	-22.9	0	0	0	112.4
7	L	28.6	Very low	32.4	Very low	155 Å²	155	131.6 Å²	131.6	81%	0.812	84%	0.838	S	S	*	*			trans	-146.7	136.3	167.9	-86	170.1	0	0	0	112
8	S	37.5	Very low	32.5	Very low	114 Å²	114	135.2 Å²	135.2	80%	0.797	84%	0.842	S	S	*	*			trans	-53.2	164	170.9	-48	0	0	0	0	113.7
9	P	34.2	Very low	32.4	Very low	126 Å²	126	138.2 Å²	138.2	82%	0.818	85%	0.845	S	S	*	*			trans	-118.5	140.3	148.6	27.9	-12.7	0	0	0	113.1
10	A	28.8	Very low	32.5	Very low	103 Å²	103	139.7 Å²	139.7	85%	0.851	85%	0.847	S	S	*	*			trans	-75.9	165.5	169.9	0	0	0	0	0	112.1
11	A	28.7	Very low	32.6	Very low	101 Å²	101	142.1 Å²	142.1	84%	0.835	85%	0.85	S	S	*	*			trans	-67.9	149.8	179.4	0	0	0	0	0	114.9
12	A	29.4	Very low	32.1	Very low	97 Å²	97	138.1 Å²	138.1	80%	0.802	83%	0.833	S	S	*	*				178.2	128.3	122.5	0	0	0	0	0	111.5
13	A	29.4	Very low	32.2	Very low	96 Å²	96	140.8 Å²	140.8	79%	0.793	83%	0.832	S	S	*	*			trans	37.1	147.3	140.7	0	0	0	0	0	120.8
14	E	29.5	Very low	32.4	Very low	187 Å²	187	141.3 Å²	141.3	87%	0.874	84%	0.836	S	S	*	*			cis	-172.5	138.5	-6.9	-109.3	-155.1	171.3	0	0	104.1
15	E	29	Very low	32	Very low	198 Å²	198	144.4 Å²	144.4	93%	0.925	84%	0.841	S	S	*	*			trans	-165.7	120.1	142.4	-122.1	-179.3	179.7	0	0	108.2
16	A	34.4	Very low	31.8	Very low	99 Å²	99	141.5 Å²	141.5	82%	0.818	85%	0.845	S	S	*	*			trans	-77.9	154.3	-173.1	0	0	0	0	0	113
17	P	32.6	Very low	31.3	Very low	123 Å²	123	143.4 Å²	143.4	80%	0.799	84%	0.843	S	S	*	*			trans	-115	145.2	141.1	31.3	-19.5	0	0	0	111
18	E	33.7	Very low	31.1	Very low	196 Å²	196	143.8 Å²	143.8	92%	0.916	85%	0.846	S	S	*	*			trans	-46.6	136.6	-167.7	-62.4	172	155.3	0	0	115.5
19	E	31.1	Very low	30.7	Very low	192 Å²	192	145.7 Å²	145.7	90%	0.897	84%	0.842	S	S	*	*			trans	-73.5	115.5	173.1	-62.6	177	161.9	0	0	109.4
20	D	34.4	Very low	30.4	Very low	167 Å²	167	147.5 Å²	147.5	89%	0.893	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-84.3	118.8	162.5	-90.9	-31.5	0	0	0	107.8
21	E	34.4	Very low	30.4	Very low	192 Å²	192	154.2 Å²	154.2	90%	0.897	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-54.3	140.2	-175.6	-70.5	175.2	143.3	0	0	114.1
22	D	30.1	Very low	30.3	Very low	164 Å²	164	152.1 Å²	152.1	88%	0.877	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-58.9	131	170.1	-84.1	-44.6	0	0	0	111.9
23	D	31	Very low	30.2	Very low	164 Å²	164	152.1 Å²	152.1	88%	0.877	83%	0.831	S	S	*	*			trans	-120.5	107.2	158.7	-117.5	-21	0	0	0	108.6	E25	D23-E25 PolarHBondContact O-N 3.17Å
24	A	29.9	Very low	30.1	Very low	100 Å²	100	154.7 Å²	154.7	83%	0.826	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-74.7	116.8	-178.4	0	0	0	0	0	110.7	A26	A24-A26 PolarHBondContact O-N 3.25Å
25	E	31	Very low	29.9	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-79.5	117.5	168.6	-69.5	-149.1	168.3	0	0	110.6	D23	D23-E25 PolarHBondContact O-N 3.17Å
26	A	28.4	Very low	29.8	Very low	100 Å²	100	146.1 Å²	146.1	83%	0.826	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68.4	132.1	169.6	0	0	0	0	0	110.9	A24	A24-A26 PolarHBondContact O-N 3.25Å
27	E	31.5	Very low	29.4	Very low	158 Å²	158	145.1 Å²	145.1	74%	0.738	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77.8	143.9	174.7	-61.3	-148.3	144.6	0	0	111.6
28	D	25.2	Very low	29.1	Very low	164 Å²	164	151.3 Å²	151.3	88%	0.877	84%	0.84	S	S	*	*			trans	-143	142.5	147.8	-147.9	-5	0	0	0	111.8
29	H	28.8	Very low	28.7	Very low	153 Å²	153	147.7 Å²	147.7	71%	0.708	84%	0.836	S	S	*	*			trans	-89.4	138.4	-162.2	-91.3	-77.2	0	0	0	113.3
30	E	28.1	Very low	28.4	Very low	165 Å²	165	144.3 Å²	144.3	77%	0.771	83%	0.833	S	S	*	*			trans	-139.6	128.1	155	-98	-148.8	132.9	0	0	115	K130	E30-K130 WeakPolarHBondContact O-CE 3.29Å; E30-K130 PolarHBondContact O-NZ 3.14Å
31	R	28.6	Very low	28	Very low	243 Å²	243	141.6 Å²	141.6	92%	0.917	83%	0.828	S	S	*	*			trans	-77.7	142.9	-176.9	-67.9	177.2	177.2	-138.2	-0.8	113.5	K130	R31-K130 PolarHBondContact O-NZ 3.36Å
32	G	25	Very low	27.6	Very low	58 Å²	58	141.1 Å²	141.1	60%	0.598	83%	0.83	S	S	*	*			trans	-88.2	160.4	-176.6	0	0	0	0	0	115.8	K130	G32-K130 VanDerWaalsContact CA-CE 3.46Å; G32-K130 VanDerWaalsContact N-NZ 3.2Å
33	A	28.5	Very low	27.4	Very low	96 Å²	96	139 Å²	139	79%	0.793	83%	0.828	S	S	*	*				-160.1	112.1	128.7	0	0	0	0	0	108.4
34	V	26.7	Very low	27.1	Very low	150 Å²	150	134.3 Å²	134.3	91%	0.909	82%	0.819	S	S	*	*				60.9	103.4	87.9	-171.7	0	0	0	0	114.4
35	S	26	Very low	27	Very low	124 Å²	124	138.4 Å²	138.4	87%	0.867	83%	0.825	S	S	*	*			trans	-113.1	134.6	155.1	63.1	0	0	0	0	109.3
36	G	27	Very low	26.7	Very low	82 Å²	82	133.5 Å²	133.5	85%	0.845	82%	0.822	S	S	*	*			trans	-101.7	132.6	170.1	0	0	0	0	0	109.7
37	G	24.7	Very low	26.4	Very low	78 Å²	78	132.2 Å²	132.2	80%	0.804	82%	0.819	S	S	*	*			trans	-160.9	107.1	175.1	0	0	0	0	0	110.7
38	R	26.5	Very low	26.2	Very low	253 Å²	253	131.1 Å²	131.1	96%	0.955	83%	0.829	S	S	*	*			trans	-68.4	138.3	-179.3	-76.3	163	126.3	173.6	-3.7	111.4
39	S	24.9	Very low	26.2	Very low	119 Å²	119	128.7 Å²	128.7	83%	0.832	82%	0.824	S	S	*	*			trans	-74.4	140.9	168	52.5	0	0	0	0	112.3
40	S	26.6	Very low	26.2	Very low	122 Å²	122	128.7 Å²	128.7	85%	0.853	84%	0.835	S	S	*	*			trans	-124.9	121.9	153.1	49	0	0	0	0	109.8
41	S	25.6	Very low	26	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	83%	0.829	S	S	*	*			trans	-80.3	146.8	176.9	48.1	0	0	0	0	111.9
42	L	26.6	Very low	26.2	Very low	182 Å²	182	119 Å²	119	95%	0.953	83%	0.829	S	S	*	*			trans	-146.2	139.5	149.3	-96.8	163.6	0	0	0	110.1
43	S	25.3	Very low	26	Very low	119 Å²	119	119.6 Å²	119.6	83%	0.832	84%	0.836	S	S	*	*			trans	-129	150.3	-169.3	44.2	0	0	0	0	110
44	G	24.8	Very low	26	Very low	66 Å²	66	123 Å²	123	68%	0.68	84%	0.84	S	S	*	*			trans	158.6	92.6	167.6	0	0	0	0	0	111.3
45	I	26.4	Very low	25.8	Very low	185 Å²	185	121.1 Å²	121.1	95%	0.949	84%	0.84	S	S	*	*				70.1	123	90.5	-59.9	171	0	0	0	114.9
46	G	24.9	Very low	25.9	Very low	77 Å²	77	123.1 Å²	123.1	79%	0.794	84%	0.84	S	S	*	*			trans	159.4	100.4	156.5	0	0	0	0	0	113.3
47	G	23.2	Very low	26.1	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	84%	0.836	S	S	*	*			trans	-96.3	175.6	-175.9	0	0	0	0	0	115.6
48	S	25.8	Very low	26.1	Very low	135 Å²	135	121.9 Å²	121.9	94%	0.944	83%	0.827	S	S	*	*			trans	-174.2	144.5	145.7	-81.7	0	0	0	0	111.6
49	S	25.5	Very low	26.3	Very low	112 Å²	112	114 Å²	114	78%	0.783	82%	0.816	S	S	*	*			trans	-96.4	142.9	-171.3	51.6	0	0	0	0	113.9
50	V	28.7	Very low	26.7	Very low	153 Å²	153	111.7 Å²	111.7	93%	0.927	79%	0.794	S	S	*	*			trans	-146.7	136.2	152.3	-168.7	0	0	0	0	109.3
51	G	24.7	Very low	27	Very low	64 Å²	64	108.1 Å²	108.1	66%	0.66	77%	0.767	S	S	*	*			trans	-87.7	-152.4	-174.6	0	0	0	0	0	115.9
52	P	32	Very low	27.6	Very low	140 Å²	140	112.1 Å²	112.1	91%	0.909	77%	0.766	S	S	*	*				-105.4	135.8	-105.4	35.2	-28.9	0	0	0	113.2
53	G	22.4	Very low	28.3	Very low	72 Å²	72	112.9 Å²	112.9	74%	0.742	76%	0.756	S	S	*	*			trans	-140	122	178.1	0	0	0	0	0	112	A55	G53-A55 PolarHBondContact O-N 3.48Å
54	L	27	Very low	29.8	Very low	167 Å²	167	111 Å²	111	87%	0.874	75%	0.747	S	S	*	*			trans	-8.9	112.6	168.5	-70.9	108	0	0	0	117.2
55	A	24.1	Very low	32.1	Very low	110 Å²	110	108.3 Å²	108.3	91%	0.909	72%	0.718	S	S	*	*			trans	-97.3	99.5	168.1	0	0	0	0	0	110.4	G53	G53-A55 PolarHBondContact O-N 3.48Å
56	L	27.9	Very low	34.9	Very low	166 Å²	166	102.5 Å²	102.5	87%	0.869	69%	0.691	S	S	*	*			trans	-103.3	125.4	164.1	-115	115.8	0	0	0	108.8
57	G	30.5	Very low	37.7	Very low	75 Å²	75	99 Å²	99	77%	0.773	65%	0.654	S	S	*	*			trans	76.9	55	147.7	0	0	0	0	0	118.5	A59	G57-A59 PolarHBondContact O-N 3.45Å; G57-A59 VanDerWaalsContact O-N 3.08Å
58	G	25.5	Very low	40.6	Very low	59 Å²	59	102.3 Å²	102.3	61%	0.608	64%	0.644	S	S	*	*			trans	-77.9	85.7	168.8	0	0	0	0	0	112.3	L60	G58-L60 PolarHBondContact O-N 2.98Å
59	A	30.2	Very low	43.4	Very low	87 Å²	87	96.9 Å²	96.9	72%	0.719	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-59.2	122.7	174.6	0	0	0	0	0	111	G57 T61	G57-A59 PolarHBondContact O-N 3.45Å; G57-A59 VanDerWaalsContact O-N 3.08Å; A59-T61 PolarHBondContact O-N 3.13Å
60	L	32.8	Very low	46.2	Very low	71 Å²	71	91.5 Å²	91.5	37%	0.372	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-72.8	121.3	-168.4	-80.7	160.5	0	0	0	111.9	G58 V69 W152	G58-L60 PolarHBondContact O-N 2.98Å; L60-V69 HydrophobicContact CD1-CG1 4.39Å; L60-V69 HydrophobicContact CD2-CG2 4.44Å; L60-W152 HydrophobicContact CD1-CZ2 3.97Å
61	T	33	Very low	48.9	Very low	48 Å²	48	85.3 Å²	85.3	29%	0.294	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-69.5	125.8	171.3	159.3	0	0	0	0	110	A59 R63 F324	A59-T61 PolarHBondContact O-N 3.13Å; T61-R63 PolarHBondContact O-N 3.07Å; T61-F324 HydrophobicContact CG2-CD1 3.2Å; T61-F324 HydrophobicContact CG2-CE1 3.01Å; T61-F324 HydrophobicContact CG2-CE2 4.33Å; T61-F324 HydrophobicContact CG2-CG 4.1Å; T61-F324 HydrophobicContact CG2-CZ 3.73Å; T61-F324 WeakPolarHBondContact OG1-CD1 3.48Å; T61-F324 WeakPolarHBondContact OG1-CD2 3.36Å; T61-F324 VanDerWaalsContact OG1-CE1 3.23Å; T61-F324 WeakPolarHBondContact OG1-CE1 3.4Å; T61-F324 WeakPolarHBondContact OG1-CE2 3.46Å; T61-F324 WeakPolarHBondContact OG1-CG 3.39Å; T61-F324 WeakPolarHBondContact OG1-CZ 3.49Å
62	R	37.3	Very low	51.7	Low	194 Å²	194	88.2 Å²	88.2	73%	0.732	52%	0.523	S	S	*	.			trans	-40.6	23.9	161.6	-129.2	-169.8	-118.7	-142.3	1.4	116.3	F324	R62-F324 HydrophobicContact CB-CE2 3.49Å; R62-F324 VanDerWaalsContact CB-CE2 3.49Å; R62-F324 HydrophobicContact CB-CZ 3.67Å
63	R	42.1	Very low	54.1	Low	197 Å²	197	83.7 Å²	83.7	74%	0.743	49%	0.492	S	S	*	.	S	Bend	trans	-54.4	136.9	153.9	-74.4	178.5	176.5	-178	-0.5	107.2	T61 V65	T61-R63 PolarHBondContact O-N 3.07Å; R63-V65 PolarHBondContact O-N 3.45Å
64	A	57.1	Low	57	Low	79 Å²	79	88.7 Å²	88.7	65%	0.653	50%	0.496	S	S	*	.			trans	-33.4	128	172.6	0	0	0	0	0	111.1	T66	A64-T66 WeakPolarHBondContact O-CG2 3.41Å; A64-T66 PolarHBondContact O-N 3.12Å
65	V	73.8	Confident	59.8	Low	10 Å²	10	82.8 Å²	82.8	6%	0.061	47%	0.465	C	S	.	.			trans	-51.1	114.8	176.4	-178.8	0	0	0	0	107.6	R63 L70 W135 K149 W152 L153	R63-V65 PolarHBondContact O-N 3.45Å; V65-L70 HydrophobicContact CG1-CD1 4.2Å; V65-L70 HydrophobicContact CG1-CD2 3.71Å; V65-L70 HydrophobicContact CG1-CG 3.84Å; V65-W135 WeakPolarHBondContact O-CH2 3.28Å; V65-W135 WeakPolarHBondContact O-CZ2 3.26Å; V65-K149 HydrophobicContact CB-CD 4.09Å; V65-K149 HydrophobicContact CB-CG 3.79Å; V65-K149 HydrophobicContact CG1-CB 4.24Å; V65-K149 HydrophobicContact CG1-CG 3.88Å; V65-K149 HydrophobicContact CG2-CG 3.98Å; V65-W152 HydrophobicContact CG1-CE3 4.36Å; V65-W152 HydrophobicContact CG2-CE3 3.6Å; V65-W152 HydrophobicContact CG2-CZ3 3.72Å; V65-L153 HydrophobicContact CG2-CD1 4.5Å; V65-L153 HydrophobicContact CG2-CD2 4.03Å; V65-L153 HydrophobicContact CG2-CG 4.18Å
66	T	83.7	Confident	62.9	Low	63 Å²	63	77.8 Å²	77.8	39%	0.387	42%	0.422	S	S	.	.			trans	-108.5	162	179.7	61.4	0	0	0	0	110	A64 R68 V69 L70	A64-T66 WeakPolarHBondContact O-CG2 3.41Å; A64-T66 PolarHBondContact O-N 3.12Å; T66-R68 PolarHBondContact O-N 3.37Å; T66-V69 WeakPolarHBondContact O-CB 3.33Å; T66-V69 PolarHBondContact O-N 3.21Å; T66-V69 WeakPolarHBondContact OG1-CG2 3.32Å; T66-V69 PolarHBondContact OG1-N 3.2Å; T66-L70 PolarHBondContact O-N 3.05Å; T66-L70 VanDerWaalsContact O-N 3.12Å
67	L	83.5	Confident	65.8	Low	3 Å²	3	75.5 Å²	75.5	2%	0.016	41%	0.407	C	S	.	.	H	α-helix	trans	-54.4	-37	172.8	-76.2	177.2	0	0	0	112	V69 L70 L71 L76 L83 L96 I102 P114 L145	L67-V69 VanDerWaalsContact C-N 3.34Å; L67-V69 PolarHBondContact O-N 3.03Å; L67-L70 PolarHBondContact O-N 3.49Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3.48Å; L67-L76 HydrophobicContact CD2-CD1 3.53Å; L67-L83 HydrophobicContact CD1-CD1 4.48Å; L67-L96 HydrophobicContact CB-CD1 4.32Å; L67-L96 HydrophobicContact CD1-CD1 3.81Å; L67-L96 HydrophobicContact CG-CD1 4.46Å; L67-I102 HydrophobicContact CD1-CD1 3.76Å; L67-I102 HydrophobicContact CD1-CG1 3.74Å; L67-P114 HydrophobicContact CD1-CG 3.58Å; L67-P114 HydrophobicContact CD2-CG 4.33Å; L67-P114 HydrophobicContact CG-CG 3.67Å; L67-L145 HydrophobicContact CD2-CD1 3.73Å; L67-L145 HydrophobicContact CD2-CD2 3.84Å; L67-L145 HydrophobicContact CD2-CG 4.48Å
68	R	84.8	Confident	68.6	Low	144 Å²	144	75 Å²	75	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-62.1	-39.1	175.8	-173.7	179.9	-68.5	-171.4	-3.8	112.7	T66 K72 D99	T66-R68 PolarHBondContact O-N 3.37Å; R68-K72 WeakPolarHBondContact O-CB 3.39Å; R68-K72 PolarHBondContact O-N 3.36Å; R68-D99 VanDerWaalsContact CZ-O 3.24Å; R68-D99 PolarHBondContact NE-O 3.48Å; R68-D99 PolarHBondContact NH2-O 2.98Å
69	V	84.9	Confident	71.8	Confident	20 Å²	20	73.4 Å²	73.4	12%	0.121	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-44	176.5	171.9	0	0	0	0	110.3	L60 T66 L67 L71 K72 D73 W152	L60-V69 HydrophobicContact CD1-CG1 4.39Å; L60-V69 HydrophobicContact CD2-CG2 4.44Å; T66-V69 WeakPolarHBondContact O-CB 3.33Å; T66-V69 PolarHBondContact O-N 3.21Å; T66-V69 WeakPolarHBondContact OG1-CG2 3.32Å; T66-V69 PolarHBondContact OG1-N 3.2Å; L67-V69 VanDerWaalsContact C-N 3.34Å; L67-V69 PolarHBondContact O-N 3.03Å; V69-L71 VanDerWaalsContact C-N 3.35Å; V69-L71 PolarHBondContact O-N 2.91Å; V69-K72 PolarHBondContact O-N 2.85Å; V69-D73 PolarHBondContact O-N 3.36Å; V69-D73 VanDerWaalsContact O-N 3.14Å; V69-W152 HydrophobicContact CG1-CD2 4.46Å; V69-W152 HydrophobicContact CG1-CH2 4.13Å; V69-W152 HydrophobicContact CG1-CZ2 3.56Å
70	L	85.2	Confident	74.7	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-68.1	-33	178.6	-61.9	178.1	0	0	0	113	V65 T66 L67 E74 L75 L76 W135 W152	V65-L70 HydrophobicContact CG1-CD1 4.2Å; V65-L70 HydrophobicContact CG1-CD2 3.71Å; V65-L70 HydrophobicContact CG1-CG 3.84Å; T66-L70 PolarHBondContact O-N 3.05Å; T66-L70 VanDerWaalsContact O-N 3.12Å; L67-L70 PolarHBondContact O-N 3.49Å; L70-E74 PolarHBondContact O-N 3.33Å; L70-L75 HydrophobicContact CB-CB 4.43Å; L70-L75 HydrophobicContact CD2-CB 4.48Å; L70-L75 HydrophobicContact CD2-CD2 4.17Å; L70-L75 PolarHBondContact O-N 3.26Å; L70-L76 HydrophobicContact CB-CD1 3.59Å; L70-L76 HydrophobicContact CB-CG 3.79Å; L70-L76 HydrophobicContact CD1-CD1 3.85Å; L70-L76 HydrophobicContact CD1-CG 4.43Å; L70-L76 HydrophobicContact CG-CD1 4.38Å; L70-L76 PolarHBondContact O-N 3.29Å; L70-W135 HydrophobicContact CD1-CH2 4.27Å; L70-W135 HydrophobicContact CD1-CZ3 3.92Å; L70-W152 HydrophobicContact CD2-CB 3.7Å; L70-W152 HydrophobicContact CD2-CG 3.76Å
71	L	85	Confident	77.4	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.115	38%	0.375	C	S	.	.	H	α-helix	trans	-68.1	-42.9	172	-76.8	168.4	0	0	0	111.9	L67 V69 D73 E74 L76 P78 L96 Q97	L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.43Å; L67-L71 PolarHBondContact O-N 3.48Å; V69-L71 VanDerWaalsContact C-N 3.35Å; V69-L71 PolarHBondContact O-N 2.91Å; L71-D73 VanDerWaalsContact C-N 3.28Å; L71-D73 PolarHBondContact O-N 2.91Å; L71-E74 PolarHBondContact O-N 3.46Å; L71-E74 VanDerWaalsContact O-N 3.17Å; L71-L76 HydrophobicContact CD2-CB 3.93Å; L71-L76 WeakPolarHBondContact CD2-O 3.4Å; L71-L76 HydrophobicContact CG-CB 4.29Å; L71-P78 HydrophobicContact CD2-CG 3.77Å; L71-L96 HydrophobicContact CD1-CD1 4.1Å; L71-L96 HydrophobicContact CD1-CD2 4.33Å; L71-L96 HydrophobicContact CD1-CG 4.19Å; L71-L96 HydrophobicContact CD2-CD2 3.75Å; L71-L96 HydrophobicContact CD2-CG 4.21Å; L71-L96 HydrophobicContact CG-CD2 4.2Å; L71-Q97 WeakPolarHBondContact CD1-O 3.44Å
72	K	83.4	Confident	80.2	Confident	125 Å²	125	74.1 Å²	74.1	54%	0.543	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-36.5	-179.7	-173.1	-174.2	176.5	-167.7	0	112.1	R68 V69 E74	R68-K72 WeakPolarHBondContact O-CB 3.39Å; R68-K72 PolarHBondContact O-N 3.36Å; V69-K72 PolarHBondContact O-N 2.85Å; K72-E74 VanDerWaalsContact C-N 3.27Å
73	D	81.6	Confident	82.9	Confident	46 Å²	46	64.9 Å²	64.9	25%	0.246	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	15	180	-67.6	7.9	0	0	0	112.3	V69 L71 L75 W152 H156	V69-D73 PolarHBondContact O-N 3.36Å; V69-D73 VanDerWaalsContact O-N 3.14Å; L71-D73 VanDerWaalsContact C-N 3.28Å; L71-D73 PolarHBondContact O-N 2.91Å; D73-L75 HydrophobicContact CB-CD1 4.03Å; D73-L75 VanDerWaalsContact O-CD1 3.25Å; D73-L75 WeakPolarHBondContact O-CD1 3.46Å; D73-L75 PolarHBondContact O-N 2.8Å; D73-L75 VanDerWaalsContact O-N 3.13Å; D73-W152 PolarHBondContact OD2-NE1 3.39Å; D73-H156 IonicContact OD2-CE1 2.76Å; D73-H156 IonicContact OD2-NE2 3.96Å
74	E	83.7	Confident	85.3	Confident	177 Å²	177	56.5 Å²	56.5	83%	0.827	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	21.5	174.5	-56.3	178.1	179.1	0	0	114.7	L70 L71 K72 L76	L70-E74 PolarHBondContact O-N 3.33Å; L71-E74 PolarHBondContact O-N 3.46Å; L71-E74 VanDerWaalsContact O-N 3.17Å; K72-E74 VanDerWaalsContact C-N 3.27Å; E74-L76 VanDerWaalsContact C-N 3.34Å
75	L	85.2	Confident	87	Confident	43 Å²	43	52.8 Å²	52.8	23%	0.225	27%	0.273	C	S	.	.	S	Bend	trans	-78.8	-21.4	171.8	-87.2	79.5	0	0	0	112.6	L70 D73 W152	L70-L75 HydrophobicContact CB-CB 4.43Å; L70-L75 HydrophobicContact CD2-CB 4.48Å; L70-L75 HydrophobicContact CD2-CD2 4.17Å; L70-L75 PolarHBondContact O-N 3.26Å; D73-L75 HydrophobicContact CB-CD1 4.03Å; D73-L75 VanDerWaalsContact O-CD1 3.25Å; D73-L75 WeakPolarHBondContact O-CD1 3.46Å; D73-L75 PolarHBondContact O-N 2.8Å; D73-L75 VanDerWaalsContact O-N 3.13Å; L75-W152 HydrophobicContact CD2-CB 3.82Å; L75-W152 HydrophobicContact CD2-CG 4.38Å
76	L	89.1	Confident	87.6	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	-129.7	151.8	175.1	-59.1	178	0	0	0	108.9	L67 L70 L71 E74 L96 Y140 L145 Y148	L67-L76 HydrophobicContact CD2-CD1 3.53Å; L70-L76 HydrophobicContact CB-CD1 3.59Å; L70-L76 HydrophobicContact CB-CG 3.79Å; L70-L76 HydrophobicContact CD1-CD1 3.85Å; L70-L76 HydrophobicContact CD1-CG 4.43Å; L70-L76 HydrophobicContact CG-CD1 4.38Å; L70-L76 PolarHBondContact O-N 3.29Å; L71-L76 HydrophobicContact CD2-CB 3.93Å; L71-L76 WeakPolarHBondContact CD2-O 3.4Å; L71-L76 HydrophobicContact CG-CB 4.29Å; E74-L76 VanDerWaalsContact C-N 3.34Å; L76-L96 HydrophobicContact CB-CD2 4.11Å; L76-L96 HydrophobicContact CD1-CD2 4.25Å; L76-Y140 HydrophobicContact CD2-CD1 3.34Å; L76-Y140 HydrophobicContact CD2-CD2 4.02Å; L76-Y140 HydrophobicContact CD2-CE1 3.64Å; L76-Y140 HydrophobicContact CD2-CE2 4.26Å; L76-Y140 HydrophobicContact CD2-CG 3.54Å; L76-L145 HydrophobicContact CD1-CD2 4.05Å; L76-L145 HydrophobicContact CD2-CD2 4.34Å; L76-Y148 HydrophobicContact CD2-CD1 4.07Å; L76-Y148 HydrophobicContact CD2-CD2 4.48Å; L76-Y148 HydrophobicContact CD2-CE1 4.34Å; L76-Y148 HydrophobicContact CD2-CG 4.15Å
77	E	88.4	Confident	87.7	Confident	118 Å²	118	58.3 Å²	58.3	55%	0.551	29%	0.287	S	S	*	.			trans	-116.4	138	171.6	-61.6	171.3	148.8	0	0	110	Y140 K141	E77-Y140 WeakPolarHBondContact CB-OH 3.39Å; E77-Y140 PolarHBondContact N-OH 3.41Å; E77-Y140 WeakPolarHBondContact O-CE2 3.24Å; E77-Y140 PolarHBondContact O-OH 2.87Å; E77-K141 IonicContact OE2-NZ 3.45Å; E77-K141 PolarHBondContact OE2-NZ 2.81Å
78	P	91.3	Very high	87.6	Confident	65 Å²	65	63.6 Å²	63.6	42%	0.422	31%	0.314	S	S	.	.			trans	-59.7	144.3	168.6	-17.7	32	0	0	0	110.1	L71 L96 P98	L71-P78 HydrophobicContact CD2-CG 3.77Å; P78-L96 VanDerWaalsContact CA-O 3.25Å; P78-L96 WeakPolarHBondContact CA-O 3.5Å; P78-L96 WeakPolarHBondContact CB-O 3.49Å; P78-P98 HydrophobicContact CB-CG 4.07Å; P78-P98 HydrophobicContact CG-CB 4.21Å; P78-P98 HydrophobicContact CG-CG 4.24Å
79	G	91.6	Very high	87.4	Confident	25 Å²	25	59.3 Å²	59.3	26%	0.258	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	159.9	-179.9	0	0	0	0	0	113.1	V82 D95 L96	G79-V82 VanDerWaalsContact O-CG2 3.28Å; G79-V82 WeakPolarHBondContact O-CG2 3.26Å; G79-D95 WeakPolarHBondContact O-CA 3.38Å; G79-L96 PolarHBondContact N-O 3.19Å; G79-L96 VanDerWaalsContact N-O 3.07Å; G79-L96 PolarHBondContact O-N 3.47Å
80	E	91.3	Very high	87.4	Confident	170 Å²	170	65.5 Å²	65.5	79%	0.794	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	133.6	175.8	-64.1	-179.9	-179.5	0	0	110.4	V82 D95	E80-V82 PolarHBondContact O-N 3.1Å; E80-V82 VanDerWaalsContact O-N 3.13Å; E80-D95 VanDerWaalsContact CA-OD1 3.23Å; E80-D95 WeakPolarHBondContact CA-OD1 3.4Å
81	G	90.3	Very high	87.6	Confident	32 Å²	32	71.8 Å²	71.8	33%	0.33	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	66.8	12.7	174.8	0	0	0	0	0	115.8	L83 I93 D95	G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.28Å; G81-I93 VanDerWaalsContact CA-CG2 3.49Å; G81-D95 PolarHBondContact N-OD1 2.95Å
82	V	91.8	Very high	88	Confident	20 Å²	20	71 Å²	71	12%	0.121	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-18.2	-174.8	-60.6	0	0	0	0	113.3	G79 E80 G94 L96 Y140 K141	G79-V82 VanDerWaalsContact O-CG2 3.28Å; G79-V82 WeakPolarHBondContact O-CG2 3.26Å; E80-V82 PolarHBondContact O-N 3.1Å; E80-V82 VanDerWaalsContact O-N 3.13Å; V82-G94 PolarHBondContact N-O 2.82Å; V82-L96 HydrophobicContact CG2-CB 3.51Å; V82-Y140 HydrophobicContact CB-CD2 3.98Å; V82-Y140 HydrophobicContact CB-CE2 3.6Å; V82-Y140 HydrophobicContact CG1-CE2 4.41Å; V82-Y140 HydrophobicContact CG2-CD2 3.92Å; V82-Y140 HydrophobicContact CG2-CE2 3.54Å; V82-Y140 CarbonylContact O-C 3.51Å; V82-Y140 WeakPolarHBondContact O-CA 3.45Å; V82-K141 HydrophobicContact CB-CG 4.47Å; V82-K141 PolarHBondContact O-N 2.92Å
83	L	93.7	Very high	88.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.2	176	-62.5	173	0	0	0	111.1	L67 G81 I93 G94 L96 I102 W117 V138 K139 Y140 L145	L67-L83 HydrophobicContact CD1-CD1 4.48Å; G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 3.28Å; L83-I93 WeakPolarHBondContact O-CA 3.37Å; L83-G94 WeakPolarHBondContact CB-O 3.33Å; L83-G94 PolarHBondContact N-O 2.88Å; L83-G94 PolarHBondContact O-N 3.34Å; L83-L96 HydrophobicContact CD1-CB 4.05Å; L83-L96 HydrophobicContact CD1-CD1 4.22Å; L83-L96 HydrophobicContact CG-CB 4.27Å; L83-I102 HydrophobicContact CD1-CB 4.29Å; L83-I102 HydrophobicContact CD1-CD1 3.85Å; L83-I102 HydrophobicContact CD1-CG1 3.64Å; L83-I102 HydrophobicContact CD1-CG2 3.82Å; L83-W117 HydrophobicContact CB-CH2 3.89Å; L83-W117 HydrophobicContact CB-CZ3 3.67Å; L83-V138 HydrophobicContact CB-CG1 4.4Å; L83-V138 HydrophobicContact CD2-CG1 3.92Å; L83-K139 CarbonylContact C-O 3.55Å; L83-K139 WeakPolarHBondContact CA-O 3.29Å; L83-Y140 HydrophobicContact CD2-CD2 3.83Å; L83-Y140 HydrophobicContact CD2-CG 4.4Å; L83-L145 HydrophobicContact CD2-CD1 4.47Å; L83-L145 HydrophobicContact CD2-CD2 4.46Å
84	S	93.1	Very high	89	Confident	21 Å²	21	65.5 Å²	65.5	15%	0.147	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.5	176.6	59.7	0	0	0	0	113.1	F92 K139	S84-F92 CarbonylContact C-O 3.59Å; S84-F92 WeakPolarHBondContact CA-O 3.47Å; S84-K139 PolarHBondContact N-O 3.37Å; S84-K139 PolarHBondContact O-N 3.21Å
85	I	91.8	Very high	89.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130	171.3	-57.8	-178.8	0	0	0	107.6	K91 F92 W117 A118 C121 V138	I85-K91 CarbonylContact O-C 3.6Å; I85-K91 WeakPolarHBondContact O-CA 3.37Å; I85-F92 HydrophobicContact CB-CB 4.34Å; I85-F92 HydrophobicContact CB-CD2 4.4Å; I85-F92 PolarHBondContact N-O 2.96Å; I85-F92 PolarHBondContact O-N 3.02Å; I85-W117 HydrophobicContact CD1-CD2 3.94Å; I85-W117 HydrophobicContact CD1-CE3 3.66Å; I85-W117 HydrophobicContact CD1-CH2 4.32Å; I85-W117 HydrophobicContact CD1-CZ3 3.86Å; I85-W117 HydrophobicContact CG1-CE3 4.03Å; I85-W117 HydrophobicContact CG1-CH2 4Å; I85-W117 HydrophobicContact CG1-CZ3 3.69Å; I85-A118 VanDerWaalsContact CD1-CA 3.44Å; I85-A118 HydrophobicContact CD1-CB 3.74Å; I85-C121 HydrophobicContact CD1-CB 4.17Å; I85-V138 HydrophobicContact CD1-CG2 3.67Å; I85-V138 HydrophobicContact CG1-CB 4.44Å; I85-V138 HydrophobicContact CG1-CG2 3.76Å
86	Y	87.6	Confident	89.8	Confident	157 Å²	157	56.3 Å²	56.3	62%	0.616	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.6	170.2	-167.4	-104.3	0	0	0	109	G89 R90 K91	Y86-G89 WeakPolarHBondContact OH-CA 3.37Å; Y86-R90 WeakPolarHBondContact CA-O 3.32Å; Y86-K91 HydrophobicContact CD2-CB 4.11Å
87	Y	85	Confident	90	Very high	33 Å²	33	58.5 Å²	58.5	13%	0.129	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	123.8	-179.7	-173.3	-114.2	0	0	0	110.8	G89 R90 K122 V125 N126 K129	Y87-G89 VanDerWaalsContact C-N 3.32Å; Y87-G89 PolarHBondContact O-N 3.48Å; Y87-R90 PolarHBondContact N-O 3.44Å; Y87-R90 PolarHBondContact O-N 3.33Å; Y87-K122 HydrophobicContact CD1-CB 4.11Å; Y87-K122 HydrophobicContact CD1-CG 3.78Å; Y87-K122 HydrophobicContact CD2-CD 4.24Å; Y87-K122 HydrophobicContact CD2-CG 4.12Å; Y87-K122 HydrophobicContact CE1-CB 4.05Å; Y87-K122 HydrophobicContact CE1-CG 4.04Å; Y87-K122 HydrophobicContact CE2-CD 4.32Å; Y87-K122 HydrophobicContact CE2-CG 4.41Å; Y87-K122 HydrophobicContact CG-CD 4.44Å; Y87-K122 HydrophobicContact CG-CG 3.82Å; Y87-V125 HydrophobicContact CD1-CB 3.99Å; Y87-V125 HydrophobicContact CD1-CG1 4.4Å; Y87-V125 HydrophobicContact CD1-CG2 4.26Å; Y87-V125 HydrophobicContact CE1-CB 4.27Å; Y87-N126 HydrophobicContact CE1-CB 4.3Å; Y87-K129 WeakPolarHBondContact OH-CD 3.37Å
88	L	81.9	Confident	89.8	Confident	113 Å²	113	58 Å²	58	59%	0.592	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	51.7	179	-62	176.4	0	0	0	113.1	R90 V125 N126	L88-R90 VanDerWaalsContact C-N 3.25Å; L88-R90 PolarHBondContact O-N 3.36Å; L88-V125 HydrophobicContact CB-CG1 4.01Å; L88-V125 HydrophobicContact CD1-CG1 4.21Å; L88-N126 HydrophobicContact CD1-CB 4.46Å
89	G	80.6	Confident	89.4	Confident	54 Å²	54	57.5 Å²	57.5	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-2.7	177.7	0	0	0	0	0	115.6	Y86 Y87	Y86-G89 WeakPolarHBondContact OH-CA 3.37Å; Y87-G89 VanDerWaalsContact C-N 3.32Å; Y87-G89 PolarHBondContact O-N 3.48Å
90	R	84.3	Confident	89.1	Confident	151 Å²	151	56.7 Å²	56.7	57%	0.57	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108	137.3	177.8	-66.8	-170.6	178.1	-172.9	1.5	111.8	Y86 Y87 L88 F92 V125	Y86-R90 WeakPolarHBondContact CA-O 3.32Å; Y87-R90 PolarHBondContact N-O 3.44Å; Y87-R90 PolarHBondContact O-N 3.33Å; L88-R90 VanDerWaalsContact C-N 3.25Å; L88-R90 PolarHBondContact O-N 3.36Å; R90-F92 HydrophobicContact CB-CE2 4.11Å; R90-F92 HydrophobicContact CB-CZ 4.32Å; R90-V125 HydrophobicContact CB-CG2 4.39Å
91	K	89.8	Confident	89	Confident	131 Å²	131	53.5 Å²	53.5	57%	0.57	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	125	175.5	-172.5	-179.2	178.2	-176.6	0	109.8	I85 Y86 I93	I85-K91 CarbonylContact O-C 3.6Å; I85-K91 WeakPolarHBondContact O-CA 3.37Å; Y86-K91 HydrophobicContact CD2-CB 4.11Å; K91-I93 HydrophobicContact CG-CG1 4.49Å
92	F	92.2	Very high	89.2	Confident	7 Å²	7	52 Å²	52	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.6	172	-57.8	-87	0	0	0	109.4	S84 I85 R90 W104 W117 C121 L124 V125	S84-F92 CarbonylContact C-O 3.59Å; S84-F92 WeakPolarHBondContact CA-O 3.47Å; I85-F92 HydrophobicContact CB-CB 4.34Å; I85-F92 HydrophobicContact CB-CD2 4.4Å; I85-F92 PolarHBondContact N-O 2.96Å; I85-F92 PolarHBondContact O-N 3.02Å; R90-F92 HydrophobicContact CB-CE2 4.11Å; R90-F92 HydrophobicContact CB-CZ 4.32Å; F92-W104 HydrophobicContact CD1-CZ2 4.33Å; F92-W117 HydrophobicContact CB-CZ2 4.38Å; F92-C121 HydrophobicContact CB-CB 4.39Å; F92-C121 HydrophobicContact CD1-CB 4.11Å; F92-C121 HydrophobicContact CD2-CB 3.7Å; F92-C121 HydrophobicContact CE1-CB 4.31Å; F92-C121 HydrophobicContact CE2-CB 3.94Å; F92-C121 HydrophobicContact CG-CB 3.79Å; F92-C121 HydrophobicContact CZ-CB 4.23Å; F92-C121 WeakPolarHBondContact CZ-O 3.44Å; F92-L124 HydrophobicContact CE1-CD1 4.24Å; F92-V125 HydrophobicContact CE2-CG2 3.79Å; F92-V125 HydrophobicContact CZ-CG2 3.48Å; F92-V125 VanDerWaalsContact CZ-CG2 3.48Å
93	I	93.7	Very high	89.1	Confident	54 Å²	54	53 Å²	53	28%	0.277	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.4	-177.4	-56.1	178.3	0	0	0	109.7	G81 L83 K91 Q105	G81-I93 VanDerWaalsContact CA-CG2 3.49Å; L83-I93 WeakPolarHBondContact O-CA 3.37Å; K91-I93 HydrophobicContact CG-CG1 4.49Å; I93-Q105 HydrophobicContact CG2-CG 4.33Å; I93-Q105 PolarHBondContact O-N 3.15Å
94	G	93.6	Very high	89.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.8	179	0	0	0	0	0	112.4	V82 L83 L103	V82-G94 PolarHBondContact N-O 2.82Å; L83-G94 WeakPolarHBondContact CB-O 3.33Å; L83-G94 PolarHBondContact N-O 2.88Å; L83-G94 PolarHBondContact O-N 3.34Å; G94-L103 CarbonylContact C-O 3.53Å; G94-L103 WeakPolarHBondContact CA-O 3.4Å
95	D	92.7	Very high	88.8	Confident	23 Å²	23	56.8 Å²	56.8	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.3	175.1	-45.8	-37.7	0	0	0	109.2	G79 E80 G81 I102 L103 Q105	G79-D95 WeakPolarHBondContact O-CA 3.38Å; E80-D95 VanDerWaalsContact CA-OD1 3.23Å; E80-D95 WeakPolarHBondContact CA-OD1 3.4Å; G81-D95 PolarHBondContact N-OD1 2.95Å; D95-I102 WeakPolarHBondContact O-CA 3.37Å; D95-L103 HydrophobicContact CB-CB 4.17Å; D95-L103 PolarHBondContact N-O 3.14Å; D95-L103 PolarHBondContact O-N 3.5Å; D95-Q105 VanDerWaalsContact OD1-CG 3.31Å; D95-Q105 WeakPolarHBondContact OD1-CG 3.26Å; D95-Q105 PolarHBondContact OD1-NE2 3.41Å
96	L	92.9	Very high	88.4	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	114.4	173.4	180	55.5	0	0	0	108.9	L67 L71 L76 P78 G79 V82 L83 Y140	L67-L96 HydrophobicContact CB-CD1 4.32Å; L67-L96 HydrophobicContact CD1-CD1 3.81Å; L67-L96 HydrophobicContact CG-CD1 4.46Å; L71-L96 HydrophobicContact CD1-CD1 4.1Å; L71-L96 HydrophobicContact CD1-CD2 4.33Å; L71-L96 HydrophobicContact CD1-CG 4.19Å; L71-L96 HydrophobicContact CD2-CD2 3.75Å; L71-L96 HydrophobicContact CD2-CG 4.21Å; L71-L96 HydrophobicContact CG-CD2 4.2Å; L76-L96 HydrophobicContact CB-CD2 4.11Å; L76-L96 HydrophobicContact CD1-CD2 4.25Å; P78-L96 VanDerWaalsContact CA-O 3.25Å; P78-L96 WeakPolarHBondContact CA-O 3.5Å; P78-L96 WeakPolarHBondContact CB-O 3.49Å; G79-L96 PolarHBondContact N-O 3.19Å; G79-L96 VanDerWaalsContact N-O 3.07Å; G79-L96 PolarHBondContact O-N 3.47Å; V82-L96 HydrophobicContact CG2-CB 3.51Å; L83-L96 HydrophobicContact CD1-CB 4.05Å; L83-L96 HydrophobicContact CD1-CD1 4.22Å; L83-L96 HydrophobicContact CG-CB 4.27Å; L96-Y140 HydrophobicContact CD2-CD2 4.32Å; L96-Y140 HydrophobicContact CD2-CE2 4.02Å
97	Q	92	Very high	88.2	Confident	50 Å²	50	59.1 Å²	59.1	23%	0.234	30%	0.302	C	S	.	.			trans	-79.5	153.6	178.5	-63.6	-168.9	-36.9	0	0	111.5	L71 D99 G100 R101 L103	L71-Q97 WeakPolarHBondContact CD1-O 3.44Å; Q97-D99 WeakPolarHBondContact CB-OD1 3.4Å; Q97-D99 PolarHBondContact O-N 3.21Å; Q97-D99 VanDerWaalsContact O-N 3.1Å; Q97-G100 PolarHBondContact O-N 3.48Å; Q97-R101 HydrophobicContact CB-CB 4.38Å; Q97-R101 WeakPolarHBondContact CB-O 3.25Å; Q97-R101 PolarHBondContact N-O 2.91Å; Q97-L103 HydrophobicContact CG-CB 4.43Å
98	P	85.1	Confident	88.2	Confident	109 Å²	109	59.7 Å²	59.7	71%	0.708	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.6	179.4	-25.6	34.7	0	0	0	114.8	P78 G100	P78-P98 HydrophobicContact CB-CG 4.07Å; P78-P98 HydrophobicContact CG-CB 4.21Å; P78-P98 HydrophobicContact CG-CG 4.24Å; P98-G100 VanDerWaalsContact C-N 3.33Å
99	D	82.6	Confident	88.5	Confident	53 Å²	53	58.4 Å²	58.4	28%	0.283	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3	178.7	77.5	-25.4	0	0	0	113.4	R68 Q97 R101	R68-D99 VanDerWaalsContact CZ-O 3.24Å; R68-D99 PolarHBondContact NE-O 3.48Å; R68-D99 PolarHBondContact NH2-O 2.98Å; Q97-D99 WeakPolarHBondContact CB-OD1 3.4Å; Q97-D99 PolarHBondContact O-N 3.21Å; Q97-D99 VanDerWaalsContact O-N 3.1Å; D99-R101 WeakPolarHBondContact OD1-CB 3.35Å; D99-R101 WeakPolarHBondContact OD1-CG 3.49Å; D99-R101 PolarHBondContact OD1-N 3.47Å; D99-R101 VanDerWaalsContact OD1-N 3.14Å; D99-R101 VanDerWaalsContact OD2-CD 3.24Å; D99-R101 WeakPolarHBondContact OD2-CD 3.45Å; D99-R101 WeakPolarHBondContact OD2-CG 3.28Å; D99-R101 IonicContact OD2-CZ 3.24Å; D99-R101 IonicContact OD2-NE 3.73Å; D99-R101 PolarHBondContact OD2-NE 3Å; D99-R101 IonicContact OD2-NH2 3.49Å
100	G	85.1	Confident	89	Confident	9 Å²	9	59.6 Å²	59.6	9%	0.093	30%	0.302	C	S	.	.	S	Bend	trans	85.5	8.4	179.5	0	0	0	0	0	115.3	Q97 P98	Q97-G100 PolarHBondContact O-N 3.48Å; P98-G100 VanDerWaalsContact C-N 3.33Å
101	R	90.3	Very high	89.2	Confident	102 Å²	102	53.1 Å²	53.1	39%	0.385	28%	0.278	S	S	.	.			trans	-82.4	161.2	170.1	-62.9	-177.7	-158.1	-152.8	-3.4	111.6	Q97 D99 I110 F111	Q97-R101 HydrophobicContact CB-CB 4.38Å; Q97-R101 WeakPolarHBondContact CB-O 3.25Å; Q97-R101 PolarHBondContact N-O 2.91Å; D99-R101 WeakPolarHBondContact OD1-CB 3.35Å; D99-R101 WeakPolarHBondContact OD1-CG 3.49Å; D99-R101 PolarHBondContact OD1-N 3.47Å; D99-R101 VanDerWaalsContact OD1-N 3.14Å; D99-R101 VanDerWaalsContact OD2-CD 3.24Å; D99-R101 WeakPolarHBondContact OD2-CD 3.45Å; D99-R101 WeakPolarHBondContact OD2-CG 3.28Å; D99-R101 IonicContact OD2-CZ 3.24Å; D99-R101 IonicContact OD2-NE 3.73Å; D99-R101 PolarHBondContact OD2-NE 3Å; D99-R101 IonicContact OD2-NH2 3.49Å; R101-I110 HydrophobicContact CB-CG2 3.83Å; R101-I110 HydrophobicContact CG-CG2 4.29Å; R101-F111 WeakPolarHBondContact CA-O 3.39Å
102	I	92.7	Very high	89	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.5	-179.9	-52.6	172.8	0	0	0	108.8	L67 L83 D95 I110 F111 P114 W117	L67-I102 HydrophobicContact CD1-CD1 3.76Å; L67-I102 HydrophobicContact CD1-CG1 3.74Å; L83-I102 HydrophobicContact CD1-CB 4.29Å; L83-I102 HydrophobicContact CD1-CD1 3.85Å; L83-I102 HydrophobicContact CD1-CG1 3.64Å; L83-I102 HydrophobicContact CD1-CG2 3.82Å; D95-I102 WeakPolarHBondContact O-CA 3.37Å; I102-I110 CarbonylContact O-C 3.58Å; I102-I110 WeakPolarHBondContact O-CA 3.4Å; I102-F111 HydrophobicContact CB-CB 4.42Å; I102-F111 PolarHBondContact N-O 3.16Å; I102-F111 PolarHBondContact O-N 3.39Å; I102-P114 HydrophobicContact CD1-CB 4.3Å; I102-P114 HydrophobicContact CD1-CG 4.24Å; I102-W117 HydrophobicContact CD1-CB 4.09Å; I102-W117 HydrophobicContact CD1-CD2 4.35Å; I102-W117 HydrophobicContact CD1-CE3 3.87Å; I102-W117 HydrophobicContact CD1-CG 4.48Å; I102-W117 HydrophobicContact CG2-CD2 3.69Å; I102-W117 HydrophobicContact CG2-CE3 3.8Å; I102-W117 HydrophobicContact CG2-CG 4.06Å; I102-W117 HydrophobicContact CG2-CZ2 4.46Å; I102-W117 HydrophobicContact CG2-CZ3 4.24Å
103	L	91.6	Very high	88.7	Confident	41 Å²	41	54.4 Å²	54.4	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.6	172.2	179.9	72.2	0	0	0	108.6	G94 D95 Q97 G108 I110	G94-L103 CarbonylContact C-O 3.53Å; G94-L103 WeakPolarHBondContact CA-O 3.4Å; D95-L103 HydrophobicContact CB-CB 4.17Å; D95-L103 PolarHBondContact N-O 3.14Å; D95-L103 PolarHBondContact O-N 3.5Å; Q97-L103 HydrophobicContact CG-CB 4.43Å; L103-G108 WeakPolarHBondContact CD1-O 3.34Å; L103-I110 HydrophobicContact CD1-CD1 4.33Å; L103-I110 HydrophobicContact CD1-CG1 3.52Å
104	W	92.6	Very high	88.3	Confident	11 Å²	11	52.1 Å²	52.1	4%	0.042	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.5	177.2	178.7	26.5	0	0	0	110.4	F92 E106 T107 G108 Q109 F111 W117 H120 L124	F92-W104 HydrophobicContact CD1-CZ2 4.33Å; W104-E106 VanDerWaalsContact C-N 3.34Å; W104-E106 HydrophobicContact CD2-CB 4.5Å; W104-E106 HydrophobicContact CZ2-CB 3.76Å; W104-E106 HydrophobicContact CZ2-CG 4.34Å; W104-E106 VanDerWaalsContact CZ2-OE2 3.31Å; W104-E106 WeakPolarHBondContact CZ2-OE2 3.33Å; W104-E106 PolarHBondContact O-N 3.41Å; W104-T107 HydrophobicContact CD2-CG2 4.43Å; W104-T107 HydrophobicContact CE3-CG2 3.84Å; W104-T107 HydrophobicContact CH2-CG2 3.44Å; W104-T107 VanDerWaalsContact CH2-CG2 3.44Å; W104-T107 HydrophobicContact CZ2-CG2 4.14Å; W104-T107 HydrophobicContact CZ3-CG2 3.26Å; W104-T107 WeakPolarHBondContact CZ3-OG1 3.35Å; W104-T107 PolarHBondContact O-N 2.97Å; W104-G108 VanDerWaalsContact O-CA 3.29Å; W104-G108 WeakPolarHBondContact O-CA 3.38Å; W104-G108 PolarHBondContact O-N 3.39Å; W104-Q109 HydrophobicContact CE3-CB 4.45Å; W104-Q109 PolarHBondContact N-O 3.34Å; W104-F111 HydrophobicContact CB-CD2 4.43Å; W104-F111 HydrophobicContact CB-CE2 3.88Å; W104-F111 HydrophobicContact CE3-CE2 4.36Å; W104-W117 AromaticContact CD1-NE1 3.94Å; W104-W117 AromaticContact CG-NE1 3.77Å; W104-H120 AromaticContact CE3-CE1 4Å; W104-H120 AromaticContact CZ3-CE1 3.48Å; W104-H120 VanDerWaalsContact CZ3-CE1 3.48Å; W104-H120 WeakPolarHBondContact CZ3-CE1 3.28Å; W104-H120 AromaticContact CZ3-ND1 3.87Å; W104-L124 HydrophobicContact CH2-CD1 3.32Å; W104-L124 HydrophobicContact CZ2-CD1 3.8Å; W104-L124 HydrophobicContact CZ3-CD1 3.99Å
105	Q	87.8	Confident	87.8	Confident	91 Å²	91	54.2 Å²	54.2	43%	0.425	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-32	-171.3	-70.8	-169.5	-20.4	0	0	114.4	I93 D95 T107	I93-Q105 HydrophobicContact CG2-CG 4.33Å; I93-Q105 PolarHBondContact O-N 3.15Å; D95-Q105 VanDerWaalsContact OD1-CG 3.31Å; D95-Q105 WeakPolarHBondContact OD1-CG 3.26Å; D95-Q105 PolarHBondContact OD1-NE2 3.41Å; Q105-T107 PolarHBondContact O-N 3.2Å
106	E	82.3	Confident	87.5	Confident	121 Å²	121	55.1 Å²	55.1	57%	0.565	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-28.1	-174.5	-68	169.5	-142	0	0	113.3	W104	W104-E106 VanDerWaalsContact C-N 3.34Å; W104-E106 HydrophobicContact CD2-CB 4.5Å; W104-E106 HydrophobicContact CZ2-CB 3.76Å; W104-E106 HydrophobicContact CZ2-CG 4.34Å; W104-E106 VanDerWaalsContact CZ2-OE2 3.31Å; W104-E106 WeakPolarHBondContact CZ2-OE2 3.33Å; W104-E106 PolarHBondContact O-N 3.41Å
107	T	83.7	Confident	87.4	Confident	84 Å²	84	54.9 Å²	54.9	52%	0.515	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-10.2	-175.1	62.3	0	0	0	0	114.1	W104 Q105 Q109	W104-T107 HydrophobicContact CD2-CG2 4.43Å; W104-T107 HydrophobicContact CE3-CG2 3.84Å; W104-T107 HydrophobicContact CH2-CG2 3.44Å; W104-T107 VanDerWaalsContact CH2-CG2 3.44Å; W104-T107 HydrophobicContact CZ2-CG2 4.14Å; W104-T107 HydrophobicContact CZ3-CG2 3.26Å; W104-T107 WeakPolarHBondContact CZ3-OG1 3.35Å; W104-T107 PolarHBondContact O-N 2.97Å; Q105-T107 PolarHBondContact O-N 3.2Å; T107-Q109 PolarHBondContact O-N 3.37Å; T107-Q109 PolarHBondContact OG1-N 3.4Å
108	G	84.4	Confident	87.2	Confident	46 Å²	46	52.5 Å²	52.5	47%	0.474	30%	0.296	S	S	.	.			trans	71	12.4	-173.9	0	0	0	0	0	114.1	L103 W104	L103-G108 WeakPolarHBondContact CD1-O 3.34Å; W104-G108 VanDerWaalsContact O-CA 3.29Å; W104-G108 WeakPolarHBondContact O-CA 3.38Å; W104-G108 PolarHBondContact O-N 3.39Å
109	Q	88.9	Confident	87.2	Confident	86 Å²	86	49 Å²	49	40%	0.402	27%	0.272	S	S	.	.			trans	-74.3	137.3	178.8	-171.7	175.8	8.9	0	0	111.6	W104 T107 F111 H120	W104-Q109 HydrophobicContact CE3-CB 4.45Å; W104-Q109 PolarHBondContact N-O 3.34Å; T107-Q109 PolarHBondContact O-N 3.37Å; T107-Q109 PolarHBondContact OG1-N 3.4Å; Q109-F111 HydrophobicContact CB-CE2 3.94Å; Q109-F111 HydrophobicContact CB-CZ 4.25Å; Q109-F111 VanDerWaalsContact CD-CZ 3.48Å; Q109-F111 HydrophobicContact CG-CE2 3.87Å; Q109-F111 HydrophobicContact CG-CZ 3.83Å; Q109-H120 PolarHBondContact OE1-NE2 3.31Å
110	I	90.1	Very high	87.3	Confident	79 Å²	79	49.1 Å²	49.1	41%	0.405	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.7	-179.5	-58.5	171.3	0	0	0	110.6	R101 I102 L103	R101-I110 HydrophobicContact CB-CG2 3.83Å; R101-I110 HydrophobicContact CG-CG2 4.29Å; I102-I110 CarbonylContact O-C 3.58Å; I102-I110 WeakPolarHBondContact O-CA 3.4Å; L103-I110 HydrophobicContact CD1-CD1 4.33Å; L103-I110 HydrophobicContact CD1-CG1 3.52Å
111	F	89.7	Confident	87.4	Confident	15 Å²	15	48.7 Å²	48.7	7%	0.066	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	137	178.1	-62	-90.4	0	0	0	111.1	R101 I102 W104 Q109 S113 A116 W117 H120	R101-F111 WeakPolarHBondContact CA-O 3.39Å; I102-F111 HydrophobicContact CB-CB 4.42Å; I102-F111 PolarHBondContact N-O 3.16Å; I102-F111 PolarHBondContact O-N 3.39Å; W104-F111 HydrophobicContact CB-CD2 4.43Å; W104-F111 HydrophobicContact CB-CE2 3.88Å; W104-F111 HydrophobicContact CE3-CE2 4.36Å; Q109-F111 HydrophobicContact CB-CE2 3.94Å; Q109-F111 HydrophobicContact CB-CZ 4.25Å; Q109-F111 VanDerWaalsContact CD-CZ 3.48Å; Q109-F111 HydrophobicContact CG-CE2 3.87Å; Q109-F111 HydrophobicContact CG-CZ 3.83Å; F111-S113 VanDerWaalsContact C-N 3.33Å; F111-S113 PolarHBondContact O-N 3.43Å; F111-A116 HydrophobicContact CD1-CB 4.28Å; F111-W117 HydrophobicContact CB-CB 3.88Å; F111-W117 HydrophobicContact CD1-CB 4.26Å; F111-W117 HydrophobicContact CD2-CB 4.11Å; F111-W117 AromaticContact CD2-CD1 3.43Å; F111-W117 VanDerWaalsContact CD2-CD1 3.43Å; F111-W117 HydrophobicContact CD2-CG 4.03Å; F111-W117 AromaticContact CE2-CD1 3.52Å; F111-W117 HydrophobicContact CE2-CG 4.48Å; F111-W117 HydrophobicContact CG-CB 3.81Å; F111-W117 AromaticContact CG-CD1 3.99Å; F111-W117 HydrophobicContact CG-CG 4.24Å; F111-H120 HydrophobicContact CD1-CB 4.49Å; F111-H120 HydrophobicContact CE1-CB 3.53Å; F111-H120 AromaticContact CE1-CD2 3.96Å; F111-H120 AromaticContact CE1-CG 3.61Å; F111-H120 HydrophobicContact CZ-CB 3.82Å; F111-H120 AromaticContact CZ-CD2 3.99Å; F111-H120 AromaticContact CZ-CG 3.52Å; F111-H120 AromaticContact CZ-ND1 3.64Å
112	N	85.6	Confident	87.1	Confident	120 Å²	120	45 Å²	45	64%	0.642	25%	0.254	S	S	*	.	S	Bend	trans	-84.2	-4.8	-177.6	-62.9	-40.4	0	0	0	113.7
113	S	84.9	Confident	86.7	Confident	45 Å²	45	49.8 Å²	49.8	32%	0.315	28%	0.275	S	S	.	.	S	Bend	trans	-157.4	154.6	177.4	73.5	0	0	0	0	113.1	F111 S115 A116 W117	F111-S113 VanDerWaalsContact C-N 3.33Å; F111-S113 PolarHBondContact O-N 3.43Å; S113-S115 PolarHBondContact O-N 3.14Å; S113-A116 PolarHBondContact O-N 2.89Å; S113-A116 WeakPolarHBondContact OG-CB 3.22Å; S113-A116 PolarHBondContact OG-N 3Å; S113-A116 VanDerWaalsContact OG-N 3.11Å; S113-W117 PolarHBondContact O-N 3.12Å; S113-W117 VanDerWaalsContact O-N 3.12Å
114	P	85.9	Confident	86.3	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-55.8	-36.5	172.1	-24.5	32.2	0	0	0	113.6	L67 I102 A118 W135 V138 L145	L67-P114 HydrophobicContact CD1-CG 3.58Å; L67-P114 HydrophobicContact CD2-CG 4.33Å; L67-P114 HydrophobicContact CG-CG 3.67Å; I102-P114 HydrophobicContact CD1-CB 4.3Å; I102-P114 HydrophobicContact CD1-CG 4.24Å; P114-A118 VanDerWaalsContact O-CB 3.24Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 2.91Å; P114-W135 HydrophobicContact CG-CZ2 4.18Å; P114-V138 HydrophobicContact CB-CG2 4.13Å; P114-L145 HydrophobicContact CB-CD1 4.11Å; P114-L145 HydrophobicContact CG-CD1 3.99Å
115	S	84.1	Confident	85.8	Confident	43 Å²	43	53 Å²	53	30%	0.301	29%	0.294	S	S	.	.	H	α-helix	trans	-69.4	-39.2	179.2	-56.8	0	0	0	0	112.6	S113 T119	S113-S115 PolarHBondContact O-N 3.14Å; S115-T119 WeakPolarHBondContact O-CB 3.37Å; S115-T119 PolarHBondContact O-N 2.69Å; S115-T119 PolarHBondContact O-OG1 3.13Å
116	A	85.7	Confident	85.4	Confident	42 Å²	42	50.9 Å²	50.9	35%	0.347	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-45.6	175.2	0	0	0	0	0	111	F111 S113 H120	F111-A116 HydrophobicContact CD1-CB 4.28Å; S113-A116 PolarHBondContact O-N 2.89Å; S113-A116 WeakPolarHBondContact OG-CB 3.22Å; S113-A116 PolarHBondContact OG-N 3Å; S113-A116 VanDerWaalsContact OG-N 3.11Å; A116-H120 WeakPolarHBondContact O-CB 3.24Å; A116-H120 PolarHBondContact O-N 3.08Å
117	W	89.9	Confident	84.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-46.2	177.2	-174.8	46.2	0	0	0	112.1	L83 I85 F92 I102 W104 F111 S113 T119 H120 C121 V138	L83-W117 HydrophobicContact CB-CH2 3.89Å; L83-W117 HydrophobicContact CB-CZ3 3.67Å; I85-W117 HydrophobicContact CD1-CD2 3.94Å; I85-W117 HydrophobicContact CD1-CE3 3.66Å; I85-W117 HydrophobicContact CD1-CH2 4.32Å; I85-W117 HydrophobicContact CD1-CZ3 3.86Å; I85-W117 HydrophobicContact CG1-CE3 4.03Å; I85-W117 HydrophobicContact CG1-CH2 4Å; I85-W117 HydrophobicContact CG1-CZ3 3.69Å; F92-W117 HydrophobicContact CB-CZ2 4.38Å; I102-W117 HydrophobicContact CD1-CB 4.09Å; I102-W117 HydrophobicContact CD1-CD2 4.35Å; I102-W117 HydrophobicContact CD1-CE3 3.87Å; I102-W117 HydrophobicContact CD1-CG 4.48Å; I102-W117 HydrophobicContact CG2-CD2 3.69Å; I102-W117 HydrophobicContact CG2-CE3 3.8Å; I102-W117 HydrophobicContact CG2-CG 4.06Å; I102-W117 HydrophobicContact CG2-CZ2 4.46Å; I102-W117 HydrophobicContact CG2-CZ3 4.24Å; W104-W117 AromaticContact CD1-NE1 3.94Å; W104-W117 AromaticContact CG-NE1 3.77Å; F111-W117 HydrophobicContact CB-CB 3.88Å; F111-W117 HydrophobicContact CD1-CB 4.26Å; F111-W117 HydrophobicContact CD2-CB 4.11Å; F111-W117 AromaticContact CD2-CD1 3.43Å; F111-W117 VanDerWaalsContact CD2-CD1 3.43Å; F111-W117 HydrophobicContact CD2-CG 4.03Å; F111-W117 AromaticContact CE2-CD1 3.52Å; F111-W117 HydrophobicContact CE2-CG 4.48Å; F111-W117 HydrophobicContact CG-CB 3.81Å; F111-W117 AromaticContact CG-CD1 3.99Å; F111-W117 HydrophobicContact CG-CG 4.24Å; S113-W117 PolarHBondContact O-N 3.12Å; S113-W117 VanDerWaalsContact O-N 3.12Å; W117-T119 PolarHBondContact O-N 3.32Å; W117-H120 WeakPolarHBondContact O-CB 3.34Å; W117-H120 PolarHBondContact O-N 2.91Å; W117-H120 VanDerWaalsContact O-N 3.17Å; W117-C121 PolarHBondContact NE1-SG 3.32Å; W117-C121 VanDerWaalsContact NE1-SG 3.43Å; W117-C121 PolarHBondContact O-N 3.08Å; W117-C121 PolarHBondContact O-SG 3.21Å; W117-C121 VanDerWaalsContact O-SG 3.41Å; W117-V138 HydrophobicContact CE3-CG1 4.25Å; W117-V138 HydrophobicContact CE3-CG2 3.92Å; W117-V138 HydrophobicContact CZ3-CG1 3.87Å; W117-V138 HydrophobicContact CZ3-CG2 4.16Å
118	A	87.8	Confident	83.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-39.2	179	0	0	0	0	0	113.6	I85 P114 H120 K122 V138	I85-A118 VanDerWaalsContact CD1-CA 3.44Å; I85-A118 HydrophobicContact CD1-CB 3.74Å; P114-A118 VanDerWaalsContact O-CB 3.24Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 2.91Å; A118-H120 VanDerWaalsContact C-N 3.31Å; A118-K122 WeakPolarHBondContact O-CB 3.35Å; A118-K122 VanDerWaalsContact O-CG 3.24Å; A118-K122 WeakPolarHBondContact O-CG 3.11Å; A118-K122 PolarHBondContact O-N 3.5Å; A118-V138 HydrophobicContact CB-CG2 4.17Å
119	T	85.3	Confident	82.8	Confident	34 Å²	34	51.7 Å²	51.7	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-63.8	-41.2	175.1	-58.4	0	0	0	0	110.6	S115 W117 K123	S115-T119 WeakPolarHBondContact O-CB 3.37Å; S115-T119 PolarHBondContact O-N 2.69Å; S115-T119 PolarHBondContact O-OG1 3.13Å; W117-T119 PolarHBondContact O-N 3.32Å; T119-K123 HydrophobicContact CG2-CD 4.17Å; T119-K123 WeakPolarHBondContact O-CB 3.08Å; T119-K123 VanDerWaalsContact O-CG 3.3Å; T119-K123 WeakPolarHBondContact O-CG 3.49Å; T119-K123 PolarHBondContact O-N 3.4Å
120	H	85.4	Confident	81	Confident	57 Å²	57	52.3 Å²	52.3	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-52	177.2	-171.3	-88.4	0	0	0	112	W104 Q109 F111 A116 W117 A118 K122 K123 L124	W104-H120 AromaticContact CE3-CE1 4Å; W104-H120 AromaticContact CZ3-CE1 3.48Å; W104-H120 VanDerWaalsContact CZ3-CE1 3.48Å; W104-H120 WeakPolarHBondContact CZ3-CE1 3.28Å; W104-H120 AromaticContact CZ3-ND1 3.87Å; Q109-H120 PolarHBondContact OE1-NE2 3.31Å; F111-H120 HydrophobicContact CD1-CB 4.49Å; F111-H120 HydrophobicContact CE1-CB 3.53Å; F111-H120 AromaticContact CE1-CD2 3.96Å; F111-H120 AromaticContact CE1-CG 3.61Å; F111-H120 HydrophobicContact CZ-CB 3.82Å; F111-H120 AromaticContact CZ-CD2 3.99Å; F111-H120 AromaticContact CZ-CG 3.52Å; F111-H120 AromaticContact CZ-ND1 3.64Å; A116-H120 WeakPolarHBondContact O-CB 3.24Å; A116-H120 PolarHBondContact O-N 3.08Å; W117-H120 WeakPolarHBondContact O-CB 3.34Å; W117-H120 PolarHBondContact O-N 2.91Å; W117-H120 VanDerWaalsContact O-N 3.17Å; A118-H120 VanDerWaalsContact C-N 3.31Å; H120-K122 VanDerWaalsContact C-N 3.33Å; H120-K122 PolarHBondContact O-N 3.08Å; H120-K123 PolarHBondContact O-N 3.36Å; H120-L124 PolarHBondContact O-N 3.04Å
121	C	86.6	Confident	79.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-42.8	178	-68	0	0	0	0	112.4	I85 F92 W117 L124	I85-C121 HydrophobicContact CD1-CB 4.17Å; F92-C121 HydrophobicContact CB-CB 4.39Å; F92-C121 HydrophobicContact CD1-CB 4.11Å; F92-C121 HydrophobicContact CD2-CB 3.7Å; F92-C121 HydrophobicContact CE1-CB 4.31Å; F92-C121 HydrophobicContact CE2-CB 3.94Å; F92-C121 HydrophobicContact CG-CB 3.79Å; F92-C121 HydrophobicContact CZ-CB 4.23Å; F92-C121 WeakPolarHBondContact CZ-O 3.44Å; W117-C121 PolarHBondContact NE1-SG 3.32Å; W117-C121 VanDerWaalsContact NE1-SG 3.43Å; W117-C121 PolarHBondContact O-N 3.08Å; W117-C121 PolarHBondContact O-SG 3.21Å; W117-C121 VanDerWaalsContact O-SG 3.41Å; C121-L124 PolarHBondContact O-N 3.4Å
122	K	85.1	Confident	77.8	Confident	23 Å²	23	53.3 Å²	53.3	10%	0.1	31%	0.314	C	S	.	.	H	α-helix	trans	-67.8	-37.7	179.2	-70.4	-178.4	-177.7	-172	0	112.5	Y87 A118 H120 L124 V125 N126 S137	Y87-K122 HydrophobicContact CD1-CB 4.11Å; Y87-K122 HydrophobicContact CD1-CG 3.78Å; Y87-K122 HydrophobicContact CD2-CD 4.24Å; Y87-K122 HydrophobicContact CD2-CG 4.12Å; Y87-K122 HydrophobicContact CE1-CB 4.05Å; Y87-K122 HydrophobicContact CE1-CG 4.04Å; Y87-K122 HydrophobicContact CE2-CD 4.32Å; Y87-K122 HydrophobicContact CE2-CG 4.41Å; Y87-K122 HydrophobicContact CG-CD 4.44Å; Y87-K122 HydrophobicContact CG-CG 3.82Å; A118-K122 WeakPolarHBondContact O-CB 3.35Å; A118-K122 VanDerWaalsContact O-CG 3.24Å; A118-K122 WeakPolarHBondContact O-CG 3.11Å; A118-K122 PolarHBondContact O-N 3.5Å; H120-K122 VanDerWaalsContact C-N 3.33Å; H120-K122 PolarHBondContact O-N 3.08Å; K122-L124 VanDerWaalsContact C-N 3.28Å; K122-L124 PolarHBondContact O-N 3.36Å; K122-V125 PolarHBondContact O-N 2.87Å; K122-V125 VanDerWaalsContact O-N 3.16Å; K122-N126 PolarHBondContact O-N 3.15Å; K122-S137 WeakPolarHBondContact CE-OG 3.27Å; K122-S137 PolarHBondContact NZ-OG 2.72Å
123	K	83.9	Confident	76.9	Confident	102 Å²	102	51.5 Å²	51.5	44%	0.443	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-29.6	175.3	-78.9	180	178.8	-178.1	0	113.4	T119 H120 V125 N126 P127	T119-K123 HydrophobicContact CG2-CD 4.17Å; T119-K123 WeakPolarHBondContact O-CB 3.08Å; T119-K123 VanDerWaalsContact O-CG 3.3Å; T119-K123 WeakPolarHBondContact O-CG 3.49Å; T119-K123 PolarHBondContact O-N 3.4Å; H120-K123 PolarHBondContact O-N 3.36Å; K123-V125 VanDerWaalsContact C-N 3.26Å; K123-V125 PolarHBondContact O-N 3.27Å; K123-N126 CarbonylContact O-C 3.21Å; K123-P127 WeakPolarHBondContact O-CA 3.34Å
124	L	82.8	Confident	76.2	Confident	81 Å²	81	49.3 Å²	49.3	42%	0.424	30%	0.295	S	S	.	.	H	α-helix	trans	-67.4	-26.7	174.6	-70.7	170.4	0	0	0	113.1	F92 W104 H120 C121 K122	F92-L124 HydrophobicContact CE1-CD1 4.24Å; W104-L124 HydrophobicContact CH2-CD1 3.32Å; W104-L124 HydrophobicContact CZ2-CD1 3.8Å; W104-L124 HydrophobicContact CZ3-CD1 3.99Å; H120-L124 PolarHBondContact O-N 3.04Å; C121-L124 PolarHBondContact O-N 3.4Å; K122-L124 VanDerWaalsContact C-N 3.28Å; K122-L124 PolarHBondContact O-N 3.36Å
125	V	82.8	Confident	75.8	Confident	38 Å²	38	50.7 Å²	50.7	23%	0.23	30%	0.299	C	S	.	.	H	α-helix	trans	-97.4	-41	-179.7	-167.6	0	0	0	0	111.5	Y87 L88 R90 F92 K122 K123	Y87-V125 HydrophobicContact CD1-CB 3.99Å; Y87-V125 HydrophobicContact CD1-CG1 4.4Å; Y87-V125 HydrophobicContact CD1-CG2 4.26Å; Y87-V125 HydrophobicContact CE1-CB 4.27Å; L88-V125 HydrophobicContact CB-CG1 4.01Å; L88-V125 HydrophobicContact CD1-CG1 4.21Å; R90-V125 HydrophobicContact CB-CG2 4.39Å; F92-V125 HydrophobicContact CE2-CG2 3.79Å; F92-V125 HydrophobicContact CZ-CG2 3.48Å; F92-V125 VanDerWaalsContact CZ-CG2 3.48Å; K122-V125 PolarHBondContact O-N 2.87Å; K122-V125 VanDerWaalsContact O-N 3.16Å; K123-V125 VanDerWaalsContact C-N 3.26Å; K123-V125 PolarHBondContact O-N 3.27Å
126	N	78.3	Confident	75.4	Confident	46 Å²	46	50.6 Å²	50.6	25%	0.246	30%	0.301	C	S	.	.			trans	-131.3	93.9	176.9	-174.4	-5.1	0	0	0	110.5	Y87 L88 K122 K123 A128 K129	Y87-N126 HydrophobicContact CE1-CB 4.3Å; L88-N126 HydrophobicContact CD1-CB 4.46Å; K122-N126 PolarHBondContact O-N 3.15Å; K123-N126 CarbonylContact O-C 3.21Å; N126-A128 PolarHBondContact O-N 3.37Å; N126-A128 VanDerWaalsContact O-N 3.15Å; N126-A128 PolarHBondContact OD1-N 2.99Å; N126-K129 PolarHBondContact O-N 2.99Å
127	P	71.2	Confident	75.2	Confident	112 Å²	112	49.7 Å²	49.7	73%	0.727	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.5	-178.8	-24.6	34.6	0	0	0	114.9	K123 K129	K123-P127 WeakPolarHBondContact O-CA 3.34Å; P127-K129 VanDerWaalsContact C-N 3.35Å
128	A	61.7	Low	75.2	Confident	84 Å²	84	49.7 Å²	49.7	69%	0.694	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.9	179.9	0	0	0	0	0	113.6	N126	N126-A128 PolarHBondContact O-N 3.37Å; N126-A128 VanDerWaalsContact O-N 3.15Å; N126-A128 PolarHBondContact OD1-N 2.99Å
129	K	63.2	Low	75.4	Confident	73 Å²	73	53.4 Å²	53.4	32%	0.317	31%	0.308	S	S	.	.			trans	-84.3	117.6	-176.5	-164.7	158.7	-173.3	155	0	111.6	Y87 N126 P127	Y87-K129 WeakPolarHBondContact OH-CD 3.37Å; N126-K129 PolarHBondContact O-N 2.99Å; P127-K129 VanDerWaalsContact C-N 3.35Å
130	K	50.4	Low	75.7	Confident	99 Å²	99	52.1 Å²	52.1	43%	0.43	30%	0.3	S	S	.	.			trans	-84.4	-23.3	-175	-72.1	178	174.7	174.8	0	115.4	E30 R31 G32	E30-K130 WeakPolarHBondContact O-CE 3.29Å; E30-K130 PolarHBondContact O-NZ 3.14Å; R31-K130 PolarHBondContact O-NZ 3.36Å; G32-K130 VanDerWaalsContact CA-CE 3.46Å; G32-K130 VanDerWaalsContact N-NZ 3.2Å
131	S	55.8	Low	75.9	Confident	95 Å²	95	55.2 Å²	55.2	66%	0.664	31%	0.312	S	S	*	.			trans	-145.2	146.6	-172.8	-59.9	0	0	0	0	112.7
132	G	56.8	Low	75.8	Confident	19 Å²	19	57.6 Å²	57.6	20%	0.196	34%	0.337	C	S	.	.			trans	-146	134.9	172.7	0	0	0	0	0	112.6	G134	G132-G134 PolarHBondContact O-N 3.35Å
133	C	67.3	Low	75.9	Confident	82 Å²	82	61.3 Å²	61.3	55%	0.554	35%	0.354	S	S	*	.			trans	-72.7	104.7	174.2	-177.3	0	0	0	0	110.7	W135 A136 S137	C133-W135 PolarHBondContact O-N 3.37Å; C133-A136 HydrophobicContact CB-CB 4.38Å; C133-S137 WeakPolarHBondContact O-CB 3.47Å; C133-S137 PolarHBondContact O-N 2.96Å; C133-S137 PolarHBondContact O-OG 2.74Å
134	G	69.9	Low	76.2	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.4	-41.6	-176.6	0	0	0	0	0	114.7	G132 S137 V138	G132-G134 PolarHBondContact O-N 3.35Å; G134-S137 PolarHBondContact O-N 3.11Å; G134-V138 WeakPolarHBondContact O-CB 3.38Å; G134-V138 VanDerWaalsContact O-CG2 3.23Å; G134-V138 WeakPolarHBondContact O-CG2 3.4Å; G134-V138 PolarHBondContact O-N 3.02Å
135	W	78.9	Confident	76.3	Confident	35 Å²	35	57.7 Å²	57.7	13%	0.133	34%	0.335	C	S	.	.	H	α-helix	trans	-70.5	-35.9	-174.6	-71	92.3	0	0	0	113.8	V65 L70 P114 C133 L145 D146 K149	V65-W135 WeakPolarHBondContact O-CH2 3.28Å; V65-W135 WeakPolarHBondContact O-CZ2 3.26Å; L70-W135 HydrophobicContact CD1-CH2 4.27Å; L70-W135 HydrophobicContact CD1-CZ3 3.92Å; P114-W135 HydrophobicContact CG-CZ2 4.18Å; C133-W135 PolarHBondContact O-N 3.37Å; W135-L145 HydrophobicContact CE3-CB 3.71Å; W135-L145 HydrophobicContact CE3-CD1 4.42Å; W135-L145 HydrophobicContact CZ3-CB 4.06Å; W135-L145 HydrophobicContact CZ3-CD1 4.41Å; W135-D146 PolarHBondContact O-N 3.49Å; W135-K149 HydrophobicContact CD2-CD 4.18Å; W135-K149 HydrophobicContact CE3-CB 4.25Å; W135-K149 HydrophobicContact CE3-CD 4.01Å; W135-K149 HydrophobicContact CZ3-CB 4.28Å; W135-K149 HydrophobicContact CZ3-CD 4.4Å
136	A	75.3	Confident	76.4	Confident	41 Å²	41	59.6 Å²	59.6	34%	0.339	34%	0.344	S	S	.	.	H	α-helix	trans	-78.3	-22.2	176.7	0	0	0	0	0	112.8	C133 K144	C133-A136 HydrophobicContact CB-CB 4.38Å; A136-K144 WeakPolarHBondContact O-CD 3.49Å
137	S	81.6	Confident	76.7	Confident	23 Å²	23	64 Å²	64	16%	0.161	36%	0.361	C	S	.	.	H	α-helix	trans	-96.9	-32.6	-174.1	-52.9	0	0	0	0	113.6	K122 C133 G134	K122-S137 WeakPolarHBondContact CE-OG 3.27Å; K122-S137 PolarHBondContact NZ-OG 2.72Å; C133-S137 WeakPolarHBondContact O-CB 3.47Å; C133-S137 PolarHBondContact O-N 2.96Å; C133-S137 PolarHBondContact O-OG 2.74Å; G134-S137 PolarHBondContact O-N 3.11Å
138	V	89.6	Confident	77.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	128	-178.1	177.3	0	0	0	0	110	L83 I85 P114 W117 A118 G134 L145	L83-V138 HydrophobicContact CB-CG1 4.4Å; L83-V138 HydrophobicContact CD2-CG1 3.92Å; I85-V138 HydrophobicContact CD1-CG2 3.67Å; I85-V138 HydrophobicContact CG1-CB 4.44Å; I85-V138 HydrophobicContact CG1-CG2 3.76Å; P114-V138 HydrophobicContact CB-CG2 4.13Å; W117-V138 HydrophobicContact CE3-CG1 4.25Å; W117-V138 HydrophobicContact CE3-CG2 3.92Å; W117-V138 HydrophobicContact CZ3-CG1 3.87Å; W117-V138 HydrophobicContact CZ3-CG2 4.16Å; A118-V138 HydrophobicContact CB-CG2 4.17Å; G134-V138 WeakPolarHBondContact O-CB 3.38Å; G134-V138 VanDerWaalsContact O-CG2 3.23Å; G134-V138 WeakPolarHBondContact O-CG2 3.4Å; G134-V138 PolarHBondContact O-N 3.02Å; V138-L145 HydrophobicContact CB-CD1 3.8Å; V138-L145 HydrophobicContact CB-CG 4.33Å; V138-L145 HydrophobicContact CG1-CD1 3.48Å; V138-L145 VanDerWaalsContact CG1-CD1 3.48Å; V138-L145 HydrophobicContact CG1-CG 4.02Å; V138-L145 PolarHBondContact O-N 3.21Å
139	K	91.5	Very high	78.3	Confident	78 Å²	78	59.4 Å²	59.4	34%	0.339	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.6	175.3	-64.5	179.2	176.6	-174.2	0	110.3	L83 S84 Q143 K144	L83-K139 CarbonylContact C-O 3.55Å; L83-K139 WeakPolarHBondContact CA-O 3.29Å; S84-K139 PolarHBondContact N-O 3.37Å; S84-K139 PolarHBondContact O-N 3.21Å; K139-Q143 CarbonylContact C-O 3.55Å; K139-Q143 WeakPolarHBondContact CA-O 3.45Å; K139-K144 HydrophobicContact CG-CG 4.15Å
140	Y	92.5	Very high	79.1	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.1	166.8	177.9	-100	0	0	0	109.9	L76 E77 V82 L83 L96 G142 Q143 Y148	L76-Y140 HydrophobicContact CD2-CD1 3.34Å; L76-Y140 HydrophobicContact CD2-CD2 4.02Å; L76-Y140 HydrophobicContact CD2-CE1 3.64Å; L76-Y140 HydrophobicContact CD2-CE2 4.26Å; L76-Y140 HydrophobicContact CD2-CG 3.54Å; E77-Y140 WeakPolarHBondContact CB-OH 3.39Å; E77-Y140 PolarHBondContact N-OH 3.41Å; E77-Y140 WeakPolarHBondContact O-CE2 3.24Å; E77-Y140 PolarHBondContact O-OH 2.87Å; V82-Y140 HydrophobicContact CB-CD2 3.98Å; V82-Y140 HydrophobicContact CB-CE2 3.6Å; V82-Y140 HydrophobicContact CG1-CE2 4.41Å; V82-Y140 HydrophobicContact CG2-CD2 3.92Å; V82-Y140 HydrophobicContact CG2-CE2 3.54Å; V82-Y140 CarbonylContact O-C 3.51Å; V82-Y140 WeakPolarHBondContact O-CA 3.45Å; L83-Y140 HydrophobicContact CD2-CD2 3.83Å; L83-Y140 HydrophobicContact CD2-CG 4.4Å; L96-Y140 HydrophobicContact CD2-CD2 4.32Å; L96-Y140 HydrophobicContact CD2-CE2 4.02Å; Y140-G142 PolarHBondContact O-N 3.45Å; Y140-G142 VanDerWaalsContact O-N 3.08Å; Y140-Q143 PolarHBondContact N-O 2.97Å; Y140-Q143 PolarHBondContact O-N 3.31Å; Y140-Y148 HydrophobicContact CD1-CE1 4.46Å; Y140-Y148 HydrophobicContact CD1-CE2 4.25Å; Y140-Y148 AromaticContact CD1-CZ 3.95Å
141	K	88.9	Confident	80.5	Confident	121 Å²	121	55 Å²	55	53%	0.526	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.9	41.6	-176.5	-65	-179.1	178.5	168.9	0	112.6	E77 V82 Q143	E77-K141 IonicContact OE2-NZ 3.45Å; E77-K141 PolarHBondContact OE2-NZ 2.81Å; V82-K141 HydrophobicContact CB-CG 4.47Å; V82-K141 PolarHBondContact O-N 2.92Å; K141-Q143 PolarHBondContact O-N 3.31Å
142	G	84.9	Confident	81.8	Confident	50 Å²	50	51.8 Å²	51.8	52%	0.515	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-10	179	0	0	0	0	0	116.4	Y140	Y140-G142 PolarHBondContact O-N 3.45Å; Y140-G142 VanDerWaalsContact O-N 3.08Å
143	Q	87.6	Confident	82.9	Confident	102 Å²	102	54 Å²	54	48%	0.477	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.6	179.3	-66.7	-173.2	12.1	0	0	112.1	K139 Y140 K141 L145 Y148	K139-Q143 CarbonylContact C-O 3.55Å; K139-Q143 WeakPolarHBondContact CA-O 3.45Å; Y140-Q143 PolarHBondContact N-O 2.97Å; Y140-Q143 PolarHBondContact O-N 3.31Å; K141-Q143 PolarHBondContact O-N 3.31Å; Q143-L145 PolarHBondContact O-N 3.33Å; Q143-Y148 HydrophobicContact CB-CE2 3.65Å; Q143-Y148 PolarHBondContact OE1-OH 2.59Å
144	K	89.4	Confident	83.3	Confident	106 Å²	106	58 Å²	58	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	135	179.9	-67.1	-179.5	177.5	178.1	0	111.1	A136 K139 D146 K147	A136-K144 WeakPolarHBondContact O-CD 3.49Å; K139-K144 HydrophobicContact CG-CG 4.15Å; K144-D146 PolarHBondContact O-N 3.33Å; K144-D146 VanDerWaalsContact O-N 3.13Å; K144-K147 WeakPolarHBondContact O-CB 3.26Å; K144-K147 PolarHBondContact O-N 3.27Å
145	L	85.4	Confident	83.5	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-57.9	-27.8	178.2	-79.6	-179.2	0	0	0	113	L67 L76 L83 P114 W135 V138 Q143 K147 Y148 K149	L67-L145 HydrophobicContact CD2-CD1 3.73Å; L67-L145 HydrophobicContact CD2-CD2 3.84Å; L67-L145 HydrophobicContact CD2-CG 4.48Å; L76-L145 HydrophobicContact CD1-CD2 4.05Å; L76-L145 HydrophobicContact CD2-CD2 4.34Å; L83-L145 HydrophobicContact CD2-CD1 4.47Å; L83-L145 HydrophobicContact CD2-CD2 4.46Å; P114-L145 HydrophobicContact CB-CD1 4.11Å; P114-L145 HydrophobicContact CG-CD1 3.99Å; W135-L145 HydrophobicContact CE3-CB 3.71Å; W135-L145 HydrophobicContact CE3-CD1 4.42Å; W135-L145 HydrophobicContact CZ3-CB 4.06Å; W135-L145 HydrophobicContact CZ3-CD1 4.41Å; V138-L145 HydrophobicContact CB-CD1 3.8Å; V138-L145 HydrophobicContact CB-CG 4.33Å; V138-L145 HydrophobicContact CG1-CD1 3.48Å; V138-L145 VanDerWaalsContact CG1-CD1 3.48Å; V138-L145 HydrophobicContact CG1-CG 4.02Å; V138-L145 PolarHBondContact O-N 3.21Å; Q143-L145 PolarHBondContact O-N 3.33Å; L145-K147 VanDerWaalsContact C-N 3.26Å; L145-K147 PolarHBondContact O-N 2.93Å; L145-Y148 PolarHBondContact O-N 3.11Å; L145-K149 PolarHBondContact O-N 3.31Å
146	D	83.3	Confident	83	Confident	78 Å²	78	69.5 Å²	69.5	42%	0.417	34%	0.34	S	S	.	.	H	α-helix	trans	-58.9	-34.4	175.4	-161.1	50.5	0	0	0	113.3	W135 K144 K149 A150	W135-D146 PolarHBondContact O-N 3.49Å; K144-D146 PolarHBondContact O-N 3.33Å; K144-D146 VanDerWaalsContact O-N 3.13Å; D146-K149 PolarHBondContact O-N 3.29Å; D146-A150 WeakPolarHBondContact O-CB 3.49Å; D146-A150 PolarHBondContact O-N 3.43Å
147	K	85.1	Confident	82	Confident	139 Å²	139	73.9 Å²	73.9	60%	0.604	35%	0.353	S	S	*	.	H	α-helix	trans	-65.2	-42.4	175.3	-69.6	-170.6	174.9	-174.7	0	111.9	K144 L145 A150 A151	K144-K147 WeakPolarHBondContact O-CB 3.26Å; K144-K147 PolarHBondContact O-N 3.27Å; L145-K147 VanDerWaalsContact C-N 3.26Å; L145-K147 PolarHBondContact O-N 2.93Å; K147-A150 PolarHBondContact O-N 3.22Å; K147-A151 WeakPolarHBondContact O-CB 3.39Å; K147-A151 PolarHBondContact O-N 2.89Å
148	Y	84.3	Confident	80.3	Confident	41 Å²	41	80 Å²	80	16%	0.161	38%	0.383	C	S	.	.	H	α-helix	trans	-67.4	-39.9	177.1	-65.1	-88.1	0	0	0	111.5	L76 Y140 Q143 L145 A151 W152	L76-Y148 HydrophobicContact CD2-CD1 4.07Å; L76-Y148 HydrophobicContact CD2-CD2 4.48Å; L76-Y148 HydrophobicContact CD2-CE1 4.34Å; L76-Y148 HydrophobicContact CD2-CG 4.15Å; Y140-Y148 HydrophobicContact CD1-CE1 4.46Å; Y140-Y148 HydrophobicContact CD1-CE2 4.25Å; Y140-Y148 AromaticContact CD1-CZ 3.95Å; Q143-Y148 HydrophobicContact CB-CE2 3.65Å; Q143-Y148 PolarHBondContact OE1-OH 2.59Å; L145-Y148 PolarHBondContact O-N 3.11Å; Y148-A151 PolarHBondContact O-N 3.22Å; Y148-W152 WeakPolarHBondContact O-CB 3.34Å; Y148-W152 PolarHBondContact O-N 3.02Å
149	K	82	Confident	77.9	Confident	58 Å²	58	88.3 Å²	88.3	25%	0.252	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-46.9	173.6	176.5	175.4	177.7	-164.8	0	112	V65 W135 L145 D146 W152 L153	V65-K149 HydrophobicContact CB-CD 4.09Å; V65-K149 HydrophobicContact CB-CG 3.79Å; V65-K149 HydrophobicContact CG1-CB 4.24Å; V65-K149 HydrophobicContact CG1-CG 3.88Å; V65-K149 HydrophobicContact CG2-CG 3.98Å; W135-K149 HydrophobicContact CD2-CD 4.18Å; W135-K149 HydrophobicContact CE3-CB 4.25Å; W135-K149 HydrophobicContact CE3-CD 4.01Å; W135-K149 HydrophobicContact CZ3-CB 4.28Å; W135-K149 HydrophobicContact CZ3-CD 4.4Å; L145-K149 PolarHBondContact O-N 3.31Å; D146-K149 PolarHBondContact O-N 3.29Å; K149-W152 PolarHBondContact O-N 3.01Å; K149-L153 HydrophobicContact CG-CD1 4.22Å; K149-L153 VanDerWaalsContact O-CG 3.31Å; K149-L153 WeakPolarHBondContact O-CG 3.46Å; K149-L153 PolarHBondContact O-N 3.16Å
150	A	80.6	Confident	74.9	Confident	40 Å²	40	91.3 Å²	91.3	33%	0.331	44%	0.439	S	S	.	.	H	α-helix	trans	-66	-40.1	177.6	0	0	0	0	0	112.5	D146 K147 L153 R154	D146-A150 WeakPolarHBondContact O-CB 3.49Å; D146-A150 PolarHBondContact O-N 3.43Å; K147-A150 PolarHBondContact O-N 3.22Å; A150-L153 PolarHBondContact O-N 2.98Å; A150-R154 WeakPolarHBondContact O-CG 3.09Å; A150-R154 PolarHBondContact O-N 3.35Å
151	A	80.3	Confident	71.8	Confident	40 Å²	40	97.1 Å²	97.1	33%	0.331	48%	0.477	S	S	.	.	H	α-helix	trans	-62.6	-43.1	175.2	0	0	0	0	0	112	K147 Y148 R154 R155	K147-A151 WeakPolarHBondContact O-CB 3.39Å; K147-A151 PolarHBondContact O-N 2.89Å; Y148-A151 PolarHBondContact O-N 3.22Å; A151-R154 PolarHBondContact O-N 3.4Å; A151-R155 PolarHBondContact O-N 3.5Å
152	W	82.6	Confident	69	Low	27 Å²	27	97.4 Å²	97.4	10%	0.102	49%	0.489	C	S	.	.	H	α-helix	trans	-59.8	-46.3	175.1	-172.5	84.9	0	0	0	112	L60 V65 V69 L70 D73 L75 Y148 K149 R155 H156	L60-W152 HydrophobicContact CD1-CZ2 3.97Å; V65-W152 HydrophobicContact CG1-CE3 4.36Å; V65-W152 HydrophobicContact CG2-CE3 3.6Å; V65-W152 HydrophobicContact CG2-CZ3 3.72Å; V69-W152 HydrophobicContact CG1-CD2 4.46Å; V69-W152 HydrophobicContact CG1-CH2 4.13Å; V69-W152 HydrophobicContact CG1-CZ2 3.56Å; L70-W152 HydrophobicContact CD2-CB 3.7Å; L70-W152 HydrophobicContact CD2-CG 3.76Å; D73-W152 PolarHBondContact OD2-NE1 3.39Å; L75-W152 HydrophobicContact CD2-CB 3.82Å; L75-W152 HydrophobicContact CD2-CG 4.38Å; Y148-W152 WeakPolarHBondContact O-CB 3.34Å; Y148-W152 PolarHBondContact O-N 3.02Å; K149-W152 PolarHBondContact O-N 3.01Å; W152-R155 PolarHBondContact O-N 2.67Å; W152-H156 AromaticContact CD1-CE1 3.69Å; W152-H156 AromaticContact CD1-ND1 3.87Å; W152-H156 AromaticContact CD2-ND1 3.81Å; W152-H156 AromaticContact CE2-CE1 3.53Å; W152-H156 AromaticContact CE2-ND1 3.55Å; W152-H156 AromaticContact CG-ND1 3.99Å; W152-H156 AromaticContact CZ2-CE1 3.95Å; W152-H156 AromaticContact CZ2-ND1 3.98Å; W152-H156 AromaticContact NE1-CE1 3.21Å; W152-H156 PolarHBondContact NE1-CE1 3.2Å; W152-H156 AromaticContact NE1-ND1 3.61Å; W152-H156 PolarHBondContact O-N 2.98Å; W152-H156 VanDerWaalsContact O-N 3.15Å; W152-H156 PolarHBondContact O-ND1 2.86Å
153	L	80.1	Confident	66.3	Low	67 Å²	67	99.5 Å²	99.5	35%	0.351	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-43.7	178.1	-72.9	168.1	0	0	0	112.2	V65 K149 A150 H156 Q157	V65-L153 HydrophobicContact CG2-CD1 4.5Å; V65-L153 HydrophobicContact CG2-CD2 4.03Å; V65-L153 HydrophobicContact CG2-CG 4.18Å; K149-L153 HydrophobicContact CG-CD1 4.22Å; K149-L153 VanDerWaalsContact O-CG 3.31Å; K149-L153 WeakPolarHBondContact O-CG 3.46Å; K149-L153 PolarHBondContact O-N 3.16Å; A150-L153 PolarHBondContact O-N 2.98Å; L153-H156 PolarHBondContact O-N 3.3Å; L153-Q157 WeakPolarHBondContact O-CB 3.35Å; L153-Q157 WeakPolarHBondContact O-CG 3.34Å; L153-Q157 PolarHBondContact O-N 3.44Å
154	R	75.9	Confident	63.5	Low	164 Å²	164	99.3 Å²	99.3	62%	0.619	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-43.3	177.4	-74	-172	-65.1	-161.5	1.9	112.4	A150 A151 H156 Q157 L158	A150-R154 WeakPolarHBondContact O-CG 3.09Å; A150-R154 PolarHBondContact O-N 3.35Å; A151-R154 PolarHBondContact O-N 3.4Å; R154-H156 VanDerWaalsContact C-N 3.27Å; R154-H156 PolarHBondContact O-N 2.9Å; R154-Q157 PolarHBondContact O-N 2.87Å; R154-L158 PolarHBondContact O-N 3.19Å
155	R	73.5	Confident	60.6	Low	187 Å²	187	99 Å²	99	71%	0.706	54%	0.535	S	S	*	.	H	α-helix	trans	-63.8	-33.6	179	-170.5	172	-178.4	167.5	-1.3	112.4	A151 W152	A151-R155 PolarHBondContact O-N 3.5Å; W152-R155 PolarHBondContact O-N 2.67Å
156	H	68.7	Low	57.8	Low	90 Å²	90	106.2 Å²	106.2	42%	0.417	57%	0.573	S	S	.	*	H	α-helix	trans	-89	-11.4	179.1	-70.6	84.6	0	0	0	114	D73 W152 L153 R154	D73-H156 IonicContact OD2-CE1 2.76Å; D73-H156 IonicContact OD2-NE2 3.96Å; W152-H156 AromaticContact CD1-CE1 3.69Å; W152-H156 AromaticContact CD1-ND1 3.87Å; W152-H156 AromaticContact CD2-ND1 3.81Å; W152-H156 AromaticContact CE2-CE1 3.53Å; W152-H156 AromaticContact CE2-ND1 3.55Å; W152-H156 AromaticContact CG-ND1 3.99Å; W152-H156 AromaticContact CZ2-CE1 3.95Å; W152-H156 AromaticContact CZ2-ND1 3.98Å; W152-H156 AromaticContact NE1-CE1 3.21Å; W152-H156 PolarHBondContact NE1-CE1 3.2Å; W152-H156 AromaticContact NE1-ND1 3.61Å; W152-H156 PolarHBondContact O-N 2.98Å; W152-H156 VanDerWaalsContact O-N 3.15Å; W152-H156 PolarHBondContact O-ND1 2.86Å; L153-H156 PolarHBondContact O-N 3.3Å; R154-H156 VanDerWaalsContact C-N 3.27Å; R154-H156 PolarHBondContact O-N 2.9Å
157	Q	53.4	Low	55.1	Low	133 Å²	133	110.6 Å²	110.6	62%	0.621	59%	0.591	S	S	*	*	H	α-helix	trans	-82.2	-30.2	169.6	-81.4	170.6	-5.9	0	0	112.9	L153 R154 H159	L153-Q157 WeakPolarHBondContact O-CB 3.35Å; L153-Q157 WeakPolarHBondContact O-CG 3.34Å; L153-Q157 PolarHBondContact O-N 3.44Å; R154-Q157 PolarHBondContact O-N 2.87Å; Q157-H159 PolarHBondContact O-N 3Å
158	L	46.2	Very low	52.2	Low	152 Å²	152	109 Å²	109	80%	0.796	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-6.9	-178.4	-76.7	163	0	0	0	114.8	R154	R154-L158 PolarHBondContact O-N 3.19Å
159	H	39.1	Very low	49.6	Very low	174 Å²	174	113 Å²	113	81%	0.806	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	16.1	-178	-139.9	-77.1	0	0	0	114	Q157	Q157-H159 PolarHBondContact O-N 3Å
160	M	29.7	Very low	46.8	Very low	142 Å²	142	116.8 Å²	116.8	70%	0.7	66%	0.656	S	S	*	*	S	Bend	trans	-106	129.3	168.9	-85.8	-73.5	-77.7	0	0	109.5	V162	M160-V162 PolarHBondContact O-N 2.93Å; M160-V162 VanDerWaalsContact O-N 3.14Å
161	P	27.8	Very low	44.1	Very low	128 Å²	128	120.2 Å²	120.2	83%	0.831	68%	0.678	S	S	*	*			trans	-69.7	113.6	175.3	-2.5	17.3	0	0	0	109.2
162	V	28.9	Very low	41.5	Very low	127 Å²	127	127.4 Å²	127.4	77%	0.77	71%	0.705	S	S	*	*			trans	-89.2	114.1	171.7	175.8	0	0	0	0	107.7	M160	M160-V162 PolarHBondContact O-N 2.93Å; M160-V162 VanDerWaalsContact O-N 3.14Å
163	A	27.6	Very low	38.7	Very low	95 Å²	95	129.3 Å²	129.3	79%	0.785	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-64.7	136.1	164.6	0	0	0	0	0	108.9
164	A	28.8	Very low	36.1	Very low	98 Å²	98	135.6 Å²	135.6	81%	0.81	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-57.1	146	-163.2	0	0	0	0	0	115.2
165	A	29	Very low	33.7	Very low	99 Å²	99	136.6 Å²	136.6	82%	0.818	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.8	148.5	164.2	0	0	0	0	0	111.5
166	D	26.3	Very low	31.4	Very low	152 Å²	152	136.9 Å²	136.9	81%	0.813	78%	0.782	S	S	*	*			trans	-136.9	111	155.8	-154.7	14.3	0	0	0	109.2
167	E	28	Very low	29.2	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.794	80%	0.799	S	S	*	*			trans	29.1	120.5	147.5	-59.9	-83.1	127.8	0	0	120.4
168	S	23.6	Very low	27.8	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	80%	0.802	S	S	*	*			trans	-76.6	160.1	152.4	41.1	0	0	0	0	111.1
169	P	30.4	Very low	26.6	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	81%	0.807	S	S	*	*				-139.4	161.6	114.8	32.7	-16.8	0	0	0	115.4
170	T	21.7	Very low	25.8	Very low	137 Å²	137	140.2 Å²	140.2	84%	0.84	81%	0.806	S	S	*	*			trans	-54.6	148.5	176	47.3	0	0	0	0	116.6
171	S	24.7	Very low	25.6	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	82%	0.818	S	S	*	*			trans	-166.7	135.3	136.8	-170.4	0	0	0	0	112.4
172	E	26.4	Very low	25.4	Very low	191 Å²	191	145.8 Å²	145.8	89%	0.893	82%	0.819	S	S	*	*			trans	-33.3	153	158	-54.4	164.9	175.6	0	0	112.5
173	G	23	Very low	25.3	Very low	67 Å²	67	149.3 Å²	149.3	69%	0.691	83%	0.827	S	S	*	*			cis	159.4	179.6	20.4	0	0	0	0	0	105.8
174	E	25.6	Very low	25.2	Very low	199 Å²	199	153.8 Å²	153.8	93%	0.93	83%	0.832	S	S	*	*			trans	99.2	133.5	169.3	-53.7	-178	174.1	0	0	117.9
175	E	25.2	Very low	25.1	Very low	184 Å²	184	157.6 Å²	157.6	86%	0.86	83%	0.833	S	S	*	*			trans	-143.5	132.2	-157	35.4	-174.4	139.2	0	0	104.6
176	E	26.5	Very low	24.8	Very low	194 Å²	194	158.8 Å²	158.8	91%	0.907	83%	0.826	S	S	*	*			trans	-173.6	105.8	166.8	-105.9	-179.2	-172.7	0	0	104.9
177	E	22.2	Very low	24.8	Very low	168 Å²	168	158.6 Å²	158.6	79%	0.785	83%	0.829	S	S	*	*				70.3	104.7	63.2	-153	176.1	-159.7	0	0	115.4
178	L	22.3	Very low	24.6	Very low	130 Å²	130	157.3 Å²	157.3	68%	0.681	83%	0.827	S	S	*	*			trans	60.1	134.1	149	-63.4	168.5	0	0	0	121.2
179	L	22.3	Very low	24.7	Very low	171 Å²	171	157.1 Å²	157.1	90%	0.895	83%	0.832	S	S	*	*				-174.5	140.7	101.1	-89.9	168.7	0	0	0	112.4
180	L	22.7	Very low	24.4	Very low	150 Å²	150	162.3 Å²	162.3	79%	0.785	84%	0.836	S	S	*	*			trans	-77.7	143	173.3	-65.2	156.2	0	0	0	110.2
181	E	24.6	Very low	24.6	Very low	203 Å²	203	162.1 Å²	162.1	95%	0.949	83%	0.834	S	S	*	*			trans	-142.2	123.5	144.1	-70.3	-169.2	158.6	0	0	110
182	E	23.9	Very low	24.6	Very low	183 Å²	183	161.6 Å²	161.6	86%	0.855	83%	0.83	S	S	*	*			trans	-83.8	139.1	168.5	-59.3	170.7	148.5	0	0	108.7
183	E	26.3	Very low	24.6	Very low	201 Å²	201	156.2 Å²	156.2	94%	0.939	82%	0.819	S	S	*	*			trans	-147.1	121.4	149	-73	-164.6	151.2	0	0	110.8
184	E	25	Very low	24.7	Very low	189 Å²	189	161.4 Å²	161.4	88%	0.883	83%	0.825	S	S	*	*			trans	-87.2	143.9	161.1	-67	-178.1	142.8	0	0	109.7
185	E	27.3	Very low	24.7	Very low	179 Å²	179	157.9 Å²	157.9	84%	0.836	81%	0.808	S	S	*	*				169.8	124.6	117.4	-100.4	-163.7	151	0	0	113.2
186	D	23.8	Very low	24.6	Very low	124 Å²	124	157.8 Å²	157.8	66%	0.663	81%	0.805	S	S	*	*				41.9	123.4	125.8	-109.6	-9.2	0	0	0	122.9
187	V	26	Very low	24.5	Very low	147 Å²	147	151.6 Å²	151.6	89%	0.891	79%	0.793	S	S	*	*			trans	-141.6	117.4	138.8	-173.5	0	0	0	0	110.9
188	L	23.5	Very low	24.6	Very low	144 Å²	144	155.7 Å²	155.7	75%	0.754	80%	0.802	S	S	*	*			trans	-72.5	145.9	169.6	-72.9	161.7	0	0	0	113.3
189	A	25.8	Very low	24.7	Very low	102 Å²	102	160.8 Å²	160.8	84%	0.843	81%	0.812	S	S	*	*			trans	-152.9	113.8	140.9	0	0	0	0	0	112.3
190	R	24.6	Very low	25.4	Very low	233 Å²	233	157.9 Å²	157.9	88%	0.879	80%	0.803	S	S	*	*			trans	-59.1	166.3	164.7	-60.6	157.7	133.5	158.9	-4.8	110.2
191	V	25	Very low	26.2	Very low	132 Å²	132	156.4 Å²	156.4	80%	0.8	80%	0.802	S	S	*	*			cis	-168.8	143	38.5	-151.8	0	0	0	0	104.7
192	S	25.6	Very low	26.2	Very low	103 Å²	103	150.4 Å²	150.4	72%	0.72	80%	0.795	S	S	*	*				176.9	126.7	70.2	-87.1	0	0	0	0	106.7
193	A	26.3	Very low	26.2	Very low	78 Å²	78	152 Å²	152	65%	0.645	80%	0.799	S	S	*	*				57.1	101.6	81.9	0	0	0	0	0	113.5
194	E	24.7	Very low	26	Very low	176 Å²	176	146 Å²	146	82%	0.822	79%	0.791	S	S	*	*				107.1	146.6	97.4	-91	-172.6	138.4	0	0	109.1
195	E	24.4	Very low	25.9	Very low	124 Å²	124	142.4 Å²	142.4	58%	0.579	79%	0.787	S	S	*	*			cis	-167.4	165.7	3.8	-143	-164.7	148.7	0	0	108.6
196	K	24.5	Very low	25.7	Very low	182 Å²	182	138.9 Å²	138.9	79%	0.791	78%	0.782	S	S	*	*			trans	27.6	130.8	147.8	-79.6	-179.8	-171.5	139	0	119.4
197	G	23.3	Very low	25.6	Very low	64 Å²	64	141.8 Å²	141.8	66%	0.66	79%	0.792	S	S	*	*			cis	120.4	137.3	37.2	0	0	0	0	0	109.8
198	R	25.3	Very low	26.1	Very low	255 Å²	255	139.9 Å²	139.9	96%	0.962	78%	0.783	S	S	*	*			trans	153.6	119.7	144.5	-86	174.6	-175.4	-139.9	2.2	112.1
199	R	23.2	Very low	26	Very low	237 Å²	237	142.2 Å²	142.2	89%	0.894	79%	0.79	S	S	*	*			trans	-100.2	177.5	153.1	-98.3	-171.9	-166.5	-178.9	5.4	107.3
200	P	37.9	Very low	26	Very low	109 Å²	109	143.2 Å²	143.2	71%	0.708	79%	0.785	S	S	*	*			cis	-136.9	-138.5	-25.4	37.5	-14.8	0	0	0	108.7
201	P	39.7	Very low	26	Very low	119 Å²	119	138.5 Å²	138.5	77%	0.773	78%	0.782	S	S	*	*			cis	-136.8	170.7	-25.5	33.1	-12.7	0	0	0	116.8
202	G	23.5	Very low	26	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	78%	0.783	S	S	*	*			trans	95.1	150.8	141.7	0	0	0	0	0	118.2
203	K	25.2	Very low	26.5	Very low	216 Å²	216	140.9 Å²	140.9	94%	0.939	80%	0.795	S	S	*	*			cis	-175.6	145.6	-6.9	-152.3	-179.4	-171.2	-177.9	0	107.9
204	G	22.3	Very low	26.6	Very low	75 Å²	75	140.2 Å²	140.2	77%	0.773	80%	0.795	S	S	*	*			trans	94.1	140.9	162.9	0	0	0	0	0	116
205	S	22.6	Very low	26.9	Very low	113 Å²	113	141.2 Å²	141.2	79%	0.79	80%	0.797	S	S	*	*			cis	-169.5	142.7	9.6	47.6	0	0	0	0	111.6
206	S	22.6	Very low	27.2	Very low	105 Å²	105	146.4 Å²	146.4	73%	0.734	81%	0.811	S	S	*	*			trans	47.8	107.1	145.5	60.3	0	0	0	0	124.1
207	E	21.2	Very low	27.7	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	81%	0.81	S	S	*	*				41.1	165.2	123.6	-77.8	-169.1	172.6	0	0	123.9
208	P	36.8	Very low	28.9	Very low	107 Å²	107	147.1 Å²	147.1	70%	0.695	81%	0.813	S	S	*	*			cis	-136.1	160.9	-28.4	34.7	-17.2	0	0	0	113.9
209	E	22.5	Very low	30.3	Very low	193 Å²	193	144 Å²	144	90%	0.902	81%	0.806	S	S	*	*			trans	-163.9	111.4	153.3	-118.1	171.4	-176.2	0	0	115.8
210	V	24.8	Very low	32.2	Very low	122 Å²	122	136.5 Å²	136.5	74%	0.739	79%	0.787	S	S	*	*			trans	14.5	126.6	142.5	-161.1	0	0	0	0	121.7
211	T	24.8	Very low	34	Very low	134 Å²	134	135 Å²	135	82%	0.822	77%	0.77	S	S	*	*			trans	65.8	112.6	151.6	53.6	0	0	0	0	121.5
212	A	25.3	Very low	36.2	Very low	99 Å²	99	134.9 Å²	134.9	82%	0.818	77%	0.768	S	S	*	*				-155.3	123.6	124.4	0	0	0	0	0	109.9	G214	A212-G214 VanDerWaalsContact C-N 3.33Å; A212-G214 PolarHBondContact O-N 3.29Å
213	L	36	Very low	39.5	Very low	187 Å²	187	132.4 Å²	132.4	98%	0.979	74%	0.737	S	S	*	*			trans	-62.4	89.6	172.2	-176.2	70.2	0	0	0	109
214	G	28.3	Very low	42.9	Very low	63 Å²	63	124.4 Å²	124.4	65%	0.649	71%	0.706	S	S	*	*			trans	-83.2	121.7	179	0	0	0	0	0	111.1	A212 R216	A212-G214 VanDerWaalsContact C-N 3.33Å; A212-G214 PolarHBondContact O-N 3.29Å; G214-R216 PolarHBondContact O-N 3.45Å
215	K	31.3	Very low	46.2	Very low	198 Å²	198	127.7 Å²	127.7	86%	0.861	70%	0.695	S	S	*	*			trans	-37.4	120.6	167.8	-66.3	174	176.4	-179.4	0	110.2	V217	K215-V217 VanDerWaalsContact C-N 3.29Å; K215-V217 PolarHBondContact O-N 3.34Å
216	R	29.8	Very low	49.4	Very low	232 Å²	232	123.7 Å²	123.7	88%	0.875	66%	0.663	S	S	*	*			trans	-62.1	98.2	164.8	-83.2	-173.2	-178.7	-176.9	1.2	106.5	G214 D218	G214-R216 PolarHBondContact O-N 3.45Å; R216-D218 VanDerWaalsContact C-N 3.31Å; R216-D218 PolarHBondContact O-N 3.43Å; R216-D218 VanDerWaalsContact O-N 3.11Å
217	V	36.3	Very low	52.5	Low	125 Å²	125	123 Å²	123	76%	0.758	66%	0.657	S	S	*	*			trans	-67.3	102.7	157.9	177.3	0	0	0	0	103.9	K215 K219	K215-V217 VanDerWaalsContact C-N 3.29Å; K215-V217 PolarHBondContact O-N 3.34Å; V217-K219 PolarHBondContact O-N 3.05Å
218	D	47.2	Very low	55.7	Low	137 Å²	137	120 Å²	120	73%	0.733	65%	0.645	S	S	*	*			trans	-56.1	107.2	170.3	-79.1	-37.2	0	0	0	106.9	R216 V220	R216-D218 VanDerWaalsContact C-N 3.31Å; R216-D218 PolarHBondContact O-N 3.43Å; R216-D218 VanDerWaalsContact O-N 3.11Å; D218-V220 PolarHBondContact O-N 3.41Å
219	K	55.3	Low	58.1	Low	188 Å²	188	115 Å²	115	82%	0.817	61%	0.612	S	S	*	*			trans	-62.6	112.8	172.5	-71	-179.3	179.1	179.2	0	105.3	V217 Q221	V217-K219 PolarHBondContact O-N 3.05Å; K219-Q221 PolarHBondContact O-N 3.02Å
220	V	63.6	Low	61	Low	80 Å²	80	107.5 Å²	107.5	49%	0.485	59%	0.586	S	S	.	*			trans	-47.8	111.6	171	176.7	0	0	0	0	107.1	D218 V222 Y378	D218-V220 PolarHBondContact O-N 3.41Å; V220-V222 PolarHBondContact O-N 3.31Å; V220-V222 VanDerWaalsContact O-N 3.16Å; V220-Y378 HydrophobicContact CG1-CE2 3.8Å
221	Q	74.3	Confident	63.9	Low	77 Å²	77	104.8 Å²	104.8	36%	0.36	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-67.1	117.9	-179.4	-76.8	-179.6	-8.1	0	0	107.6	K219 P223 H239 L241	K219-Q221 PolarHBondContact O-N 3.02Å; Q221-P223 WeakPolarHBondContact O-CD 2.89Å; Q221-H239 PolarHBondContact OE1-O 3.45Å; Q221-L241 HydrophobicContact CB-CD1 3.9Å; Q221-L241 HydrophobicContact CB-CG 4.32Å
222	V	87.4	Confident	66.9	Low	118 Å²	118	103.7 Å²	103.7	72%	0.715	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-80.7	120.9	177.6	-177.7	0	0	0	0	107.4	V220	V220-V222 PolarHBondContact O-N 3.31Å; V220-V222 VanDerWaalsContact O-N 3.16Å
223	P	93	Very high	69.8	Low	26 Å²	26	102.8 Å²	102.8	17%	0.169	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-57.1	143.3	174.8	-24.9	36.1	0	0	0	111.4	Q221 L241 E243 P341 V343	Q221-P223 WeakPolarHBondContact O-CD 2.89Å; P223-L241 CarbonylContact C-O 3.58Å; P223-L241 WeakPolarHBondContact CA-O 3.36Å; P223-L241 HydrophobicContact CB-CB 4.18Å; P223-L241 HydrophobicContact CG-CB 4.21Å; P223-L241 HydrophobicContact CG-CD1 4.47Å; P223-E243 HydrophobicContact CB-CG 3.72Å; P223-P341 HydrophobicContact CG-CB 4.37Å; P223-P341 HydrophobicContact CG-CG 4.04Å; P223-V343 HydrophobicContact CB-CG2 3.97Å; P223-V343 HydrophobicContact CG-CG2 3.69Å
224	V	94.9	Very high	72	Confident	47 Å²	47	100.1 Å²	100.1	29%	0.285	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-102.1	143.2	175.3	-58	0	0	0	0	110.4	L229 T240 L241 V242 E243	V224-L229 HydrophobicContact CG2-CD2 3.68Å; V224-L229 HydrophobicContact CG2-CG 4.45Å; V224-T240 HydrophobicContact CG1-CG2 4.45Å; V224-T240 HydrophobicContact CG2-CG2 3.96Å; V224-L241 WeakPolarHBondContact CG2-O 3.18Å; V224-L241 PolarHBondContact N-O 2.91Å; V224-V242 HydrophobicContact CG2-CG2 4.38Å; V224-V242 CarbonylContact O-C 3.52Å; V224-V242 WeakPolarHBondContact O-CA 3.07Å; V224-E243 PolarHBondContact O-N 3.3Å
225	R	93.1	Very high	74.9	Confident	145 Å²	145	101.3 Å²	101.3	55%	0.547	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-63	139	170.5	-70.8	-174.2	-55.5	176.4	3.6	110.8	C227 M228 E243	R225-C227 PolarHBondContact O-N 2.98Å; R225-C227 VanDerWaalsContact O-N 3.16Å; R225-M228 HydrophobicContact CB-CG 4.16Å; R225-M228 WeakPolarHBondContact O-CB 3.23Å; R225-M228 PolarHBondContact O-N 2.63Å; R225-E243 WeakPolarHBondContact CG-OE2 3.4Å
226	Y	89.2	Confident	77.6	Confident	29 Å²	29	96 Å²	96	11%	0.114	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-51.8	-39.9	177.2	174.3	-93.9	0	0	0	113	M228 L229 Y404 G405 I406	Y226-M228 PolarHBondContact O-N 3.15Å; Y226-L229 HydrophobicContact CD2-CD1 3.85Å; Y226-L229 HydrophobicContact CE2-CD1 4.36Å; Y226-L229 WeakPolarHBondContact O-CB 3.1Å; Y226-L229 PolarHBondContact O-N 3.06Å; Y226-Y404 PolarHBondContact OH-O 2.95Å; Y226-G405 WeakPolarHBondContact CE2-O 3.17Å; Y226-I406 HydrophobicContact CD1-CG1 4.31Å; Y226-I406 HydrophobicContact CD1-CG2 4.25Å; Y226-I406 HydrophobicContact CD2-CG2 4.38Å; Y226-I406 HydrophobicContact CE1-CD1 4.29Å; Y226-I406 HydrophobicContact CE1-CG1 3.73Å; Y226-I406 HydrophobicContact CE2-CB 4.34Å; Y226-I406 HydrophobicContact CE2-CG1 3.96Å; Y226-I406 HydrophobicContact CG-CG2 4.2Å
227	C	86.8	Confident	80.6	Confident	91 Å²	91	88.7 Å²	88.7	62%	0.615	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-60.9	-17.3	179.1	63.3	0	0	0	0	114.4	R225	R225-C227 PolarHBondContact O-N 2.98Å; R225-C227 VanDerWaalsContact O-N 3.16Å
228	M	89.1	Confident	83.4	Confident	122 Å²	122	85.6 Å²	85.6	60%	0.601	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-88.6	-7.7	177.2	-57.3	-62.6	-59	0	0	113.2	R225 Y226	R225-M228 HydrophobicContact CB-CG 4.16Å; R225-M228 WeakPolarHBondContact O-CB 3.23Å; R225-M228 PolarHBondContact O-N 2.63Å; Y226-M228 PolarHBondContact O-N 3.15Å
229	L	87	Confident	85.6	Confident	2 Å²	2	83.5 Å²	83.5	1%	0.01	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-40.9	-178.3	-64.5	177.3	0	0	0	112.4	V224 Y226 R236 V242 L346	V224-L229 HydrophobicContact CG2-CD2 3.68Å; V224-L229 HydrophobicContact CG2-CG 4.45Å; Y226-L229 HydrophobicContact CD2-CD1 3.85Å; Y226-L229 HydrophobicContact CE2-CD1 4.36Å; Y226-L229 WeakPolarHBondContact O-CB 3.1Å; Y226-L229 PolarHBondContact O-N 3.06Å; L229-R236 VanDerWaalsContact CD2-NH1 3.32Å; L229-R236 PolarHBondContact O-NH2 2.94Å; L229-V242 HydrophobicContact CD1-CG1 3.92Å; L229-V242 HydrophobicContact CD1-CG2 3.98Å; L229-V242 HydrophobicContact CD2-CG2 4.38Å; L229-L346 HydrophobicContact CD1-CD2 3.89Å; L229-L346 HydrophobicContact CD2-CD2 4.1Å
230	G	83.3	Confident	87.5	Confident	35 Å²	35	76.3 Å²	76.3	36%	0.361	43%	0.429	S	S	.	.			trans	59.6	-151.7	-170.7	0	0	0	0	0	112.1
231	S	86.1	Confident	89.1	Confident	65 Å²	65	72.7 Å²	72.7	46%	0.455	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-73.5	155.4	-178.8	-58.4	0	0	0	0	113.5	D233 D403	S231-D233 PolarHBondContact O-N 3.3Å; S231-D403 WeakPolarHBondContact CA-OD1 3.27Å; S231-D403 WeakPolarHBondContact CB-OD1 3.42Å; S231-D403 PolarHBondContact OG-OD1 3.24Å
232	R	87.5	Confident	90.2	Very high	112 Å²	112	69 Å²	69	42%	0.423	39%	0.39	S	S	.	.			trans	-57.9	134.3	-179.5	-70.9	173.8	80.4	90	12.8	111	D350 S402 Y404	R232-D350 IonicContact CZ-OD1 2.68Å; R232-D350 VanDerWaalsContact CZ-OD1 3.31Å; R232-D350 IonicContact CZ-OD2 3.83Å; R232-D350 IonicContact NH1-OD1 3.04Å; R232-D350 PolarHBondContact NH1-OD1 3.07Å; R232-D350 IonicContact NH1-OD2 3.31Å; R232-D350 IonicContact NH2-OD1 3.22Å; R232-D350 PolarHBondContact NH2-OD1 3.46Å; R232-D350 IonicContact NH2-OD2 3.71Å; R232-D350 PolarHBondContact NH2-OD2 3.1Å; R232-S402 WeakPolarHBondContact CB-O 3.37Å; R232-S402 WeakPolarHBondContact CD-O 3.46Å; R232-S402 WeakPolarHBondContact CG-O 3.45Å; R232-S402 PolarHBondContact N-O 3.49Å; R232-Y404 HydrophobicContact CB-CE2 4.15Å; R232-Y404 HydrophobicContact CG-CD1 4.09Å; R232-Y404 HydrophobicContact CG-CD2 3.76Å; R232-Y404 HydrophobicContact CG-CE1 4.05Å; R232-Y404 HydrophobicContact CG-CE2 3.74Å; R232-Y404 HydrophobicContact CG-CG 3.93Å
233	D	86.6	Confident	90.6	Very high	80 Å²	80	67.6 Å²	67.6	43%	0.428	38%	0.375	S	S	.	.			trans	-137.4	117.8	178.5	176.1	6.9	0	0	0	108.4	S231 A235 R236	S231-D233 PolarHBondContact O-N 3.3Å; D233-A235 PolarHBondContact O-N 2.99Å; D233-A235 WeakPolarHBondContact OD1-CB 3.45Å; D233-A235 PolarHBondContact OD1-N 2.63Å; D233-R236 HydrophobicContact CB-CG 4.07Å; D233-R236 WeakPolarHBondContact O-CB 3.39Å; D233-R236 PolarHBondContact O-N 3.3Å; D233-R236 VanDerWaalsContact O-N 3.09Å
234	S	82.9	Confident	90.8	Very high	130 Å²	130	68.3 Å²	68.3	91%	0.909	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-15.5	179.7	-55.3	0	0	0	0	113.4	R236	S234-R236 VanDerWaalsContact C-N 3.31Å
235	A	87.4	Confident	90.9	Very high	89 Å²	89	67.5 Å²	67.5	74%	0.736	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.9	174.5	0	0	0	0	0	113.1	D233	D233-A235 PolarHBondContact O-N 2.99Å; D233-A235 WeakPolarHBondContact OD1-CB 3.45Å; D233-A235 PolarHBondContact OD1-N 2.63Å
236	R	89.5	Confident	91	Very high	85 Å²	85	63 Å²	63	32%	0.321	37%	0.365	S	S	.	.	S	Bend	trans	-70.3	141.4	177.1	-74.1	176.5	173.9	-111.3	-2.6	110.8	L229 D233 S234 P238 L346	L229-R236 VanDerWaalsContact CD2-NH1 3.32Å; L229-R236 PolarHBondContact O-NH2 2.94Å; D233-R236 HydrophobicContact CB-CG 4.07Å; D233-R236 WeakPolarHBondContact O-CB 3.39Å; D233-R236 PolarHBondContact O-N 3.3Å; D233-R236 VanDerWaalsContact O-N 3.09Å; S234-R236 VanDerWaalsContact C-N 3.31Å; R236-P238 WeakPolarHBondContact O-CD 3.15Å; R236-L346 HydrophobicContact CB-CD1 4.14Å
237	N	92.7	Very high	91.2	Very high	80 Å²	80	62.2 Å²	62.2	43%	0.428	36%	0.362	S	S	.	.			trans	-66	122.1	176	-179.7	-1.5	0	0	0	109.8	H239 T240	N237-H239 PolarHBondContact O-N 3.27Å; N237-H239 PolarHBondContact OD1-N 2.91Å; N237-T240 WeakPolarHBondContact O-CB 3.31Å; N237-T240 PolarHBondContact O-N 3.34Å; N237-T240 PolarHBondContact O-OG1 3.43Å
238	P	93.8	Very high	91.6	Very high	60 Å²	60	61.2 Å²	61.2	39%	0.39	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.2	179.7	23.8	-34.4	0	0	0	113.3	R236 T240 L346 Q347	R236-P238 WeakPolarHBondContact O-CD 3.15Å; P238-T240 PolarHBondContact O-N 3.44Å; P238-L346 WeakPolarHBondContact O-CB 3.41Å; P238-L346 PolarHBondContact O-N 2.96Å; P238-Q347 HydrophobicContact CB-CB 4.18Å; P238-Q347 PolarHBondContact O-N 2.96Å
239	H	94.3	Very high	91.7	Very high	93 Å²	93	59 Å²	59	43%	0.431	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	11.5	177.6	-55	-63	0	0	0	113.5	Q221 N237 L241 Q347	Q221-H239 PolarHBondContact OE1-O 3.45Å; N237-H239 PolarHBondContact O-N 3.27Å; N237-H239 PolarHBondContact OD1-N 2.91Å; H239-L241 PolarHBondContact O-N 3.42Å; H239-Q347 PolarHBondContact CE1-OE1 2.86Å
240	T	95.4	Very high	91.9	Very high	36 Å²	36	61.8 Å²	61.8	22%	0.221	38%	0.376	C	S	.	.			trans	-68.4	117.2	175.1	-57.4	0	0	0	0	109.2	V224 N237 P238 S345 L346	V224-T240 HydrophobicContact CG1-CG2 4.45Å; V224-T240 HydrophobicContact CG2-CG2 3.96Å; N237-T240 WeakPolarHBondContact O-CB 3.31Å; N237-T240 PolarHBondContact O-N 3.34Å; N237-T240 PolarHBondContact O-OG1 3.43Å; P238-T240 PolarHBondContact O-N 3.44Å; T240-S345 CarbonylContact O-C 3.15Å; T240-S345 VanDerWaalsContact O-CA 3.32Å; T240-S345 WeakPolarHBondContact O-CA 2.97Å; T240-L346 PolarHBondContact O-N 3.48Å
241	L	96.9	Very high	92.3	Very high	5 Å²	5	67.3 Å²	67.3	3%	0.026	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-71.1	139.7	176.9	-61.5	-178.3	0	0	0	111.7	Q221 P223 V224 H239 P341 V343	Q221-L241 HydrophobicContact CB-CD1 3.9Å; Q221-L241 HydrophobicContact CB-CG 4.32Å; P223-L241 CarbonylContact C-O 3.58Å; P223-L241 WeakPolarHBondContact CA-O 3.36Å; P223-L241 HydrophobicContact CB-CB 4.18Å; P223-L241 HydrophobicContact CG-CB 4.21Å; P223-L241 HydrophobicContact CG-CD1 4.47Å; V224-L241 WeakPolarHBondContact CG2-O 3.18Å; V224-L241 PolarHBondContact N-O 2.91Å; H239-L241 PolarHBondContact O-N 3.42Å; L241-P341 HydrophobicContact CD1-CG 4.28Å; L241-V343 HydrophobicContact CB-CG2 3.99Å; L241-V343 HydrophobicContact CD1-CG2 4.4Å
242	V	96.8	Very high	92.7	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-126	132.6	-176.7	-172.6	0	0	0	0	109.6	V224 L229 P344 L346 I349 P407	V224-V242 HydrophobicContact CG2-CG2 4.38Å; V224-V242 CarbonylContact O-C 3.52Å; V224-V242 WeakPolarHBondContact O-CA 3.07Å; L229-V242 HydrophobicContact CD1-CG1 3.92Å; L229-V242 HydrophobicContact CD1-CG2 3.98Å; L229-V242 HydrophobicContact CD2-CG2 4.38Å; V242-P344 PolarHBondContact N-O 2.75Å; V242-P344 WeakPolarHBondContact O-CD 3.47Å; V242-L346 HydrophobicContact CG2-CD2 3.78Å; V242-L346 HydrophobicContact CG2-CG 4.25Å; V242-I349 HydrophobicContact CB-CD1 3.94Å; V242-I349 HydrophobicContact CG1-CD1 4.25Å; V242-I349 HydrophobicContact CG2-CD1 3.83Å; V242-P407 HydrophobicContact CB-CG 4.38Å; V242-P407 HydrophobicContact CG1-CG 3.83Å
243	E	96.9	Very high	92.9	Very high	87 Å²	87	73.4 Å²	73.4	41%	0.407	42%	0.419	S	S	.	.			trans	-66.1	138.2	174.3	-64.6	179.8	-175.7	0	0	111.1	P223 V224 R225	P223-E243 HydrophobicContact CB-CG 3.72Å; V224-E243 PolarHBondContact O-N 3.3Å; R225-E243 WeakPolarHBondContact CG-OE2 3.4Å
244	V	96.8	Very high	93.3	Very high	42 Å²	42	71.8 Å²	71.8	26%	0.255	41%	0.409	S	S	.	.			trans	-72.5	147.7	171.7	-64.9	0	0	0	0	110.7	P344 F391 P407 D409	V244-P344 HydrophobicContact CG1-CG 4.11Å; V244-F391 HydrophobicContact CG1-CB 4.18Å; V244-P407 CarbonylContact C-O 3.43Å; V244-P407 WeakPolarHBondContact CA-O 3.44Å; V244-P407 HydrophobicContact CG1-CB 4.35Å; V244-D409 HydrophobicContact CB-CB 4.04Å; V244-D409 HydrophobicContact CG2-CB 3.79Å
245	T	95.8	Very high	93.7	Very high	30 Å²	30	67.9 Å²	67.9	18%	0.184	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-108.6	131.6	178.2	-56.3	0	0	0	0	109.5	A249 I250 P407 M408 D409	T245-A249 HydrophobicContact CG2-CB 4.24Å; T245-I250 HydrophobicContact CG2-CG2 3.91Å; T245-P407 PolarHBondContact N-O 3.11Å; T245-M408 HydrophobicContact CG2-CE 4.41Å; T245-M408 CarbonylContact O-C 3.6Å; T245-M408 VanDerWaalsContact O-CA 3.25Å; T245-M408 WeakPolarHBondContact O-CA 3.47Å; T245-M408 WeakPolarHBondContact O-CE 3.13Å; T245-D409 PolarHBondContact O-N 2.77Å
246	S	95.5	Very high	94.1	Very high	50 Å²	50	63.8 Å²	63.8	35%	0.35	35%	0.346	S	S	.	.			trans	-67.5	142.9	171.5	172.1	0	0	0	0	110.7	A248 A249	S246-A248 PolarHBondContact O-N 3.47Å; S246-A248 PolarHBondContact OG-N 2.97Å; S246-A249 WeakPolarHBondContact O-CB 3.5Å; S246-A249 PolarHBondContact O-N 2.9Å; S246-A249 VanDerWaalsContact O-N 3.12Å
247	F	94.1	Very high	94.4	Very high	12 Å²	12	64.3 Å²	64.3	5%	0.053	36%	0.355	C	S	.	.	S	Bend	trans	-56	-40.1	173.9	-72.2	-85.4	0	0	0	112.3	A249 I250 N251 K252 F253 Q254 P255 W392 M394 M408 D409 V410	F247-A249 VanDerWaalsContact C-N 3.3Å; F247-A249 PolarHBondContact O-N 3.12Å; F247-I250 WeakPolarHBondContact O-CG1 3.45Å; F247-I250 PolarHBondContact O-N 3Å; F247-N251 PolarHBondContact O-N 2.89Å; F247-K252 CarbonylContact C-O 3.53Å; F247-K252 WeakPolarHBondContact CB-O 3.42Å; F247-K252 HydrophobicContact CD1-CB 4.32Å; F247-K252 PolarHBondContact O-N 3.04Å; F247-K252 VanDerWaalsContact O-O 3.04Å; F247-F253 WeakPolarHBondContact CD1-O 3.02Å; F247-Q254 HydrophobicContact CD2-CB 3.87Å; F247-Q254 HydrophobicContact CD2-CG 4.3Å; F247-Q254 HydrophobicContact CE2-CB 3.95Å; F247-Q254 HydrophobicContact CE2-CG 3.89Å; F247-Q254 HydrophobicContact CG-CB 4.29Å; F247-Q254 HydrophobicContact CZ-CB 4.44Å; F247-Q254 HydrophobicContact CZ-CG 4.31Å; F247-P255 VanDerWaalsContact CE1-CD 3.48Å; F247-P255 HydrophobicContact CE1-CG 4.47Å; F247-P255 VanDerWaalsContact CZ-CD 3.47Å; F247-P255 HydrophobicContact CZ-CG 4.44Å; F247-W392 HydrophobicContact CE1-CE3 4.14Å; F247-W392 HydrophobicContact CE1-CZ3 4.28Å; F247-W392 AromaticContact CZ-CE3 3.95Å; F247-W392 HydrophobicContact CZ-CE3 3.95Å; F247-M394 HydrophobicContact CD1-CE 4.05Å; F247-M394 HydrophobicContact CE1-CE 3.97Å; F247-M408 VanDerWaalsContact CA-CE 3.49Å; F247-M408 HydrophobicContact CB-CE 4.22Å; F247-M408 HydrophobicContact CD1-CB 4.49Å; F247-M408 HydrophobicContact CD1-CE 3.65Å; F247-M408 HydrophobicContact CD1-CG 4.42Å; F247-M408 HydrophobicContact CD2-CB 4.27Å; F247-M408 HydrophobicContact CD2-CE 4.32Å; F247-M408 HydrophobicContact CE1-CB 3.88Å; F247-M408 HydrophobicContact CE1-CE 4.04Å; F247-M408 HydrophobicContact CE1-CG 3.83Å; F247-M408 HydrophobicContact CE2-CB 3.64Å; F247-M408 HydrophobicContact CE2-CG 4.49Å; F247-M408 HydrophobicContact CG-CE 3.8Å; F247-M408 HydrophobicContact CZ-CB 3.41Å; F247-M408 VanDerWaalsContact CZ-CB 3.41Å; F247-M408 HydrophobicContact CZ-CG 3.88Å; F247-D409 VanDerWaalsContact CD2-O 3.24Å; F247-D409 WeakPolarHBondContact CD2-O 3.46Å; F247-D409 WeakPolarHBondContact CE2-O 3.5Å; F247-V410 HydrophobicContact CE2-CG2 4.3Å
248	A	94.2	Very high	94.7	Very high	71 Å²	71	60.7 Å²	60.7	59%	0.587	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.3	-34.9	178.1	0	0	0	0	0	112.5	S246 I250 N251	S246-A248 PolarHBondContact O-N 3.47Å; S246-A248 PolarHBondContact OG-N 2.97Å; A248-I250 PolarHBondContact O-N 3.29Å; A248-I250 VanDerWaalsContact O-N 3.08Å; A248-N251 PolarHBondContact O-N 3.32Å
249	A	92.5	Very high	94.9	Very high	75 Å²	75	58.4 Å²	58.4	62%	0.62	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-63.6	-17.4	-179.6	0	0	0	0	0	113.7	T245 S246 F247	T245-A249 HydrophobicContact CG2-CB 4.24Å; S246-A249 WeakPolarHBondContact O-CB 3.5Å; S246-A249 PolarHBondContact O-N 2.9Å; S246-A249 VanDerWaalsContact O-N 3.12Å; F247-A249 VanDerWaalsContact C-N 3.3Å; F247-A249 PolarHBondContact O-N 3.12Å
250	I	90.8	Very high	95.1	Very high	60 Å²	60	54 Å²	54	31%	0.308	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-118.6	19.2	176	61.5	167.1	0	0	0	112.6	T245 F247 A248 K252 M394 M408	T245-I250 HydrophobicContact CG2-CG2 3.91Å; F247-I250 WeakPolarHBondContact O-CG1 3.45Å; F247-I250 PolarHBondContact O-N 3Å; A248-I250 PolarHBondContact O-N 3.29Å; A248-I250 VanDerWaalsContact O-N 3.08Å; I250-K252 VanDerWaalsContact C-N 3.31Å; I250-K252 HydrophobicContact CD1-CB 4.34Å; I250-K252 HydrophobicContact CD1-CG 3.93Å; I250-K252 HydrophobicContact CG1-CB 4.1Å; I250-K252 HydrophobicContact CG1-CG 3.9Å; I250-K252 PolarHBondContact O-N 2.89Å; I250-M394 HydrophobicContact CD1-CE 3.65Å; I250-M394 HydrophobicContact CD1-SD 3.84Å; I250-M408 HydrophobicContact CD1-CE 3.49Å; I250-M408 VanDerWaalsContact CD1-CE 3.49Å; I250-M408 HydrophobicContact CD1-SD 3.94Å; I250-M408 HydrophobicContact CG1-CE 3.94Å
251	N	92.3	Very high	95.1	Very high	151 Å²	151	52.7 Å²	52.7	81%	0.807	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	44.1	-178.7	-58.4	-48.5	0	0	0	113	F247 A248	F247-N251 PolarHBondContact O-N 2.89Å; A248-N251 PolarHBondContact O-N 3.32Å
252	K	93	Very high	95	Very high	116 Å²	116	52.4 Å²	52.4	50%	0.504	29%	0.292	S	S	.	.			trans	-123	163	174.9	-64.6	-66.1	-176.3	-179.2	0	110	F247 I250 M394	F247-K252 CarbonylContact C-O 3.53Å; F247-K252 WeakPolarHBondContact CB-O 3.42Å; F247-K252 HydrophobicContact CD1-CB 4.32Å; F247-K252 PolarHBondContact O-N 3.04Å; F247-K252 VanDerWaalsContact O-O 3.04Å; I250-K252 VanDerWaalsContact C-N 3.31Å; I250-K252 HydrophobicContact CD1-CB 4.34Å; I250-K252 HydrophobicContact CD1-CG 3.93Å; I250-K252 HydrophobicContact CG1-CB 4.1Å; I250-K252 HydrophobicContact CG1-CG 3.9Å; I250-K252 PolarHBondContact O-N 2.89Å; K252-M394 HydrophobicContact CB-CE 4.21Å; K252-M394 HydrophobicContact CG-CE 4.08Å
253	F	92.7	Very high	94.9	Very high	190 Å²	190	52.8 Å²	52.8	83%	0.833	29%	0.294	S	S	*	.			trans	-104.8	150.8	171.2	-61.4	-76.1	0	0	0	109.9	F247	F247-F253 WeakPolarHBondContact CD1-O 3.02Å
254	Q	94.9	Very high	94.9	Very high	46 Å²	46	48.7 Å²	48.7	22%	0.215	28%	0.275	C	S	.	.			trans	-59.6	130.1	168.7	-177.4	171.3	-65.1	0	0	109.1	F247 F256 E411	F247-Q254 HydrophobicContact CD2-CB 3.87Å; F247-Q254 HydrophobicContact CD2-CG 4.3Å; F247-Q254 HydrophobicContact CE2-CB 3.95Å; F247-Q254 HydrophobicContact CE2-CG 3.89Å; F247-Q254 HydrophobicContact CG-CB 4.29Å; F247-Q254 HydrophobicContact CZ-CB 4.44Å; F247-Q254 HydrophobicContact CZ-CG 4.31Å; Q254-F256 VanDerWaalsContact C-N 3.27Å; Q254-F256 VanDerWaalsContact CG-O 3.32Å; Q254-F256 WeakPolarHBondContact CG-O 3.5Å; Q254-F256 PolarHBondContact NE2-O 3.17Å; Q254-F256 PolarHBondContact O-N 3.23Å; Q254-E411 PolarHBondContact NE2-O 2.7Å
255	P	91.7	Very high	94.9	Very high	47 Å²	47	47.2 Å²	47.2	31%	0.305	27%	0.266	S	S	.	.	S	Bend	trans	-72.9	-14.8	-169.6	24.1	-32.4	0	0	0	114.7	F247 W392	F247-P255 VanDerWaalsContact CE1-CD 3.48Å; F247-P255 HydrophobicContact CE1-CG 4.47Å; F247-P255 VanDerWaalsContact CZ-CD 3.47Å; F247-P255 HydrophobicContact CZ-CG 4.44Å; P255-W392 HydrophobicContact CG-CD2 4.34Å; P255-W392 HydrophobicContact CG-CE3 4.32Å; P255-W392 HydrophobicContact CG-CH2 4.4Å; P255-W392 HydrophobicContact CG-CZ2 4.44Å; P255-W392 HydrophobicContact CG-CZ3 4.32Å
256	F	94.6	Very high	94.9	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.018	26%	0.257	C	S	.	.	S	Bend	trans	-158.8	152.4	-179.9	51.6	-88.2	0	0	0	110.5	Q254 V258 W287 Q292 L294 F366 P368 W392	Q254-F256 VanDerWaalsContact C-N 3.27Å; Q254-F256 VanDerWaalsContact CG-O 3.32Å; Q254-F256 WeakPolarHBondContact CG-O 3.5Å; Q254-F256 PolarHBondContact NE2-O 3.17Å; Q254-F256 PolarHBondContact O-N 3.23Å; F256-V258 HydrophobicContact CD2-CG2 3.63Å; F256-V258 HydrophobicContact CE2-CG2 3.47Å; F256-V258 VanDerWaalsContact CE2-CG2 3.47Å; F256-W287 HydrophobicContact CB-CH2 3.72Å; F256-W287 HydrophobicContact CB-CZ3 3.74Å; F256-W287 HydrophobicContact CG-CZ3 4.41Å; F256-Q292 CarbonylContact C-O 3.58Å; F256-Q292 WeakPolarHBondContact CA-O 3.48Å; F256-Q292 WeakPolarHBondContact CB-O 3.32Å; F256-L294 HydrophobicContact CD2-CB 3.98Å; F256-L294 HydrophobicContact CD2-CD2 4.36Å; F256-L294 HydrophobicContact CE2-CB 4.36Å; F256-L294 HydrophobicContact CE2-CD2 3.9Å; F256-F366 HydrophobicContact CB-CE1 4.37Å; F256-F366 AromaticContact CD1-CE1 3.51Å; F256-F366 HydrophobicContact CD1-CE1 3.51Å; F256-F366 AromaticContact CD1-CZ 3.46Å; F256-F366 HydrophobicContact CD1-CZ 3.46Å; F256-F366 VanDerWaalsContact CD1-CZ 3.46Å; F256-F366 HydrophobicContact CE1-CE1 4.14Å; F256-F366 AromaticContact CE1-CZ 3.7Å; F256-F366 HydrophobicContact CE1-CZ 3.7Å; F256-F366 HydrophobicContact CG-CE1 4.21Å; F256-P368 HydrophobicContact CD1-CB 3.81Å; F256-P368 HydrophobicContact CD2-CB 3.93Å; F256-P368 HydrophobicContact CD2-CG 4.5Å; F256-P368 HydrophobicContact CE1-CB 3.63Å; F256-P368 HydrophobicContact CE2-CB 3.75Å; F256-P368 HydrophobicContact CG-CB 3.96Å; F256-P368 HydrophobicContact CZ-CB 3.61Å; F256-W392 AromaticContact CE1-CD1 3.87Å; F256-W392 HydrophobicContact CE1-CG 4.39Å; F256-W392 AromaticContact CE1-NE1 3.95Å; F256-W392 AromaticContact CZ-CD1 3.86Å; F256-W392 HydrophobicContact CZ-CG 4.39Å
257	N	96.6	Very high	95	Very high	95 Å²	95	43.5 Å²	43.5	51%	0.508	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	149.7	172	-65	-43.9	0	0	0	110	Q292 M293 L294	N257-Q292 PolarHBondContact N-O 2.59Å; N257-M293 HydrophobicContact CB-CE 3.47Å; N257-M293 VanDerWaalsContact CB-CE 3.47Å; N257-M293 HydrophobicContact CB-SD 3.6Å; N257-M293 WeakPolarHBondContact O-CE 3.41Å; N257-L294 WeakPolarHBondContact O-CB 3.34Å; N257-L294 PolarHBondContact O-N 2.96Å
258	V	98.3	Very high	95.1	Very high	4 Å²	4	43 Å²	43	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130	175.4	-177.7	0	0	0	0	110.1	F256 V260 M293 L294 L370 V410 M412 A413	F256-V258 HydrophobicContact CD2-CG2 3.63Å; F256-V258 HydrophobicContact CE2-CG2 3.47Å; F256-V258 VanDerWaalsContact CE2-CG2 3.47Å; V258-V260 HydrophobicContact CG1-CG2 3.8Å; V258-M293 VanDerWaalsContact CA-CE 3.5Å; V258-M293 VanDerWaalsContact N-CE 3.34Å; V258-L294 WeakPolarHBondContact CA-O 3.28Å; V258-L370 HydrophobicContact CG1-CD2 3.68Å; V258-L370 HydrophobicContact CG2-CD1 4.37Å; V258-V410 HydrophobicContact CB-CG1 4.44Å; V258-V410 HydrophobicContact CG2-CG1 3.74Å; V258-M412 HydrophobicContact CB-CB 4.01Å; V258-M412 HydrophobicContact CG1-CB 3.83Å; V258-M412 WeakPolarHBondContact O-CA 3.32Å; V258-A413 PolarHBondContact O-N 3.19Å
259	A	98.3	Very high	95.3	Very high	12 Å²	12	39.6 Å²	39.6	10%	0.099	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125	172.2	0	0	0	0	0	108.8	M293 L294 T295 V296 A413 V415	A259-M293 HydrophobicContact CB-CE 3.66Å; A259-L294 PolarHBondContact N-O 2.55Å; A259-T295 HydrophobicContact CB-CG2 4.49Å; A259-T295 CarbonylContact O-C 3.52Å; A259-T295 WeakPolarHBondContact O-CA 3.33Å; A259-V296 PolarHBondContact O-N 3.27Å; A259-A413 WeakPolarHBondContact CA-O 3.27Å; A259-V415 HydrophobicContact CB-CG2 3.94Å
260	V	98.2	Very high	95.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.7	-176.9	-172.6	0	0	0	0	109.9	V258 V264 L265 V296 M412 A413 V415	V258-V260 HydrophobicContact CG1-CG2 3.8Å; V260-V264 HydrophobicContact CG1-CB 3.99Å; V260-V264 HydrophobicContact CG1-CG1 4.07Å; V260-L265 HydrophobicContact CG1-CD1 4.48Å; V260-L265 HydrophobicContact CG1-CD2 3.81Å; V260-L265 HydrophobicContact CG1-CG 3.85Å; V260-V296 HydrophobicContact CB-CB 4.45Å; V260-V296 HydrophobicContact CG1-CB 4.18Å; V260-V296 HydrophobicContact CG1-CG1 4.45Å; V260-V296 HydrophobicContact CG2-CB 4.16Å; V260-V296 HydrophobicContact CG2-CG2 4.15Å; V260-M412 HydrophobicContact CB-SD 4.5Å; V260-M412 HydrophobicContact CG2-CB 4.31Å; V260-M412 HydrophobicContact CG2-SD 3.86Å; V260-A413 PolarHBondContact N-O 3.42Å; V260-V415 PolarHBondContact O-N 3.41Å
261	S	96.4	Very high	95.9	Very high	8 Å²	8	33.2 Å²	33.2	6%	0.056	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.5	174.5	150.2	0	0	0	0	111.6	N263 V264 L265 V296 V415 D417	S261-N263 VanDerWaalsContact C-N 3.25Å; S261-N263 PolarHBondContact O-N 2.94Å; S261-N263 PolarHBondContact OG-N 2.95Å; S261-V264 VanDerWaalsContact O-CB 3.27Å; S261-V264 WeakPolarHBondContact O-CB 3.38Å; S261-V264 PolarHBondContact O-N 2.69Å; S261-L265 PolarHBondContact O-N 3.14Å; S261-V296 PolarHBondContact N-O 2.9Å; S261-V415 CarbonylContact C-O 3.57Å; S261-V415 WeakPolarHBondContact CA-O 3.29Å; S261-D417 PolarHBondContact OG-OD1 3.31Å; S261-D417 PolarHBondContact OG-OD2 2.9Å
262	S	94.4	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.9	-37.6	175.2	61.9	0	0	0	0	113.4	V264 L265 F266 Y414 V415 D417	S262-V264 PolarHBondContact O-N 3.37Å; S262-L265 PolarHBondContact O-N 2.92Å; S262-F266 VanDerWaalsContact O-CB 3.27Å; S262-F266 WeakPolarHBondContact O-CB 3.34Å; S262-F266 PolarHBondContact O-N 3.43Å; S262-Y414 WeakPolarHBondContact CB-OH 3.14Å; S262-V415 PolarHBondContact N-O 3.47Å; S262-D417 PolarHBondContact N-OD2 3.44Å; S262-D417 WeakPolarHBondContact OG-CB 3.13Å; S262-D417 PolarHBondContact OG-N 3.33Å; S262-D417 PolarHBondContact OG-OD2 3.22Å
263	N	94.4	Very high	96.4	Very high	8 Å²	8	20.5 Å²	20.5	4%	0.043	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-31.4	176	-76.3	-35.2	0	0	0	112.7	S261 L267 D417 F419 L420 I424 P467	S261-N263 VanDerWaalsContact C-N 3.25Å; S261-N263 PolarHBondContact O-N 2.94Å; S261-N263 PolarHBondContact OG-N 2.95Å; N263-L267 PolarHBondContact O-N 3.42Å; N263-L267 VanDerWaalsContact O-N 3.16Å; N263-D417 PolarHBondContact N-OD2 3.44Å; N263-D417 WeakPolarHBondContact ND2-CB 3.48Å; N263-D417 PolarHBondContact ND2-OD1 3.43Å; N263-F419 PolarHBondContact ND2-O 3.43Å; N263-F419 VanDerWaalsContact ND2-O 3.16Å; N263-L420 VanDerWaalsContact OD1-CD1 3.26Å; N263-L420 WeakPolarHBondContact OD1-CD1 3.38Å; N263-I424 HydrophobicContact CB-CD1 4.36Å; N263-I424 HydrophobicContact CB-CG1 4.19Å; N263-P467 WeakPolarHBondContact OD1-CG 3.37Å
264	V	97.2	Very high	96.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-68	-52.9	175	-179.2	0	0	0	0	110	V260 S261 S262 F266 L267 L268 L283 V296 A299	V260-V264 HydrophobicContact CG1-CB 3.99Å; V260-V264 HydrophobicContact CG1-CG1 4.07Å; S261-V264 VanDerWaalsContact O-CB 3.27Å; S261-V264 WeakPolarHBondContact O-CB 3.38Å; S261-V264 PolarHBondContact O-N 2.69Å; S262-V264 PolarHBondContact O-N 3.37Å; V264-F266 PolarHBondContact O-N 2.88Å; V264-L267 PolarHBondContact O-N 3.35Å; V264-L268 WeakPolarHBondContact O-CB 2.93Å; V264-L268 PolarHBondContact O-N 3.04Å; V264-L283 HydrophobicContact CG1-CD2 3.98Å; V264-V296 HydrophobicContact CG1-CG1 3.93Å; V264-V296 HydrophobicContact CG2-CG1 4.29Å; V264-A299 HydrophobicContact CG1-CB 3.99Å
265	L	96.6	Very high	96.7	Very high	12 Å²	12	9.3 Å²	9.3	6%	0.063	6%	0.055	C	C	.	.	H	α-helix	trans	-64.2	-32.1	-178.9	-62.3	-177.7	0	0	0	112.1	V260 S261 S262 D269 L372 I388 Y414 R465	V260-L265 HydrophobicContact CG1-CD1 4.48Å; V260-L265 HydrophobicContact CG1-CD2 3.81Å; V260-L265 HydrophobicContact CG1-CG 3.85Å; S261-L265 PolarHBondContact O-N 3.14Å; S262-L265 PolarHBondContact O-N 2.92Å; L265-D269 WeakPolarHBondContact O-CB 3.11Å; L265-D269 PolarHBondContact O-N 3.22Å; L265-L372 HydrophobicContact CD2-CD1 4.47Å; L265-I388 HydrophobicContact CD2-CD1 4.21Å; L265-I388 HydrophobicContact CD2-CG2 4.46Å; L265-Y414 HydrophobicContact CD1-CD2 3.69Å; L265-Y414 HydrophobicContact CD1-CE2 3.93Å; L265-R465 HydrophobicContact CB-CG 4.42Å; L265-R465 PolarHBondContact O-NH1 3.24Å
266	F	95.8	Very high	96.8	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-66.8	-54	176.4	-174.5	-88.8	0	0	0	112	S262 V264 L268 D269 F270 L420 I424 M428 L462 R465 L476	S262-F266 VanDerWaalsContact O-CB 3.27Å; S262-F266 WeakPolarHBondContact O-CB 3.34Å; S262-F266 PolarHBondContact O-N 3.43Å; V264-F266 PolarHBondContact O-N 2.88Å; F266-L268 PolarHBondContact O-N 2.86Å; F266-D269 PolarHBondContact O-N 3.32Å; F266-F270 PolarHBondContact O-N 3.04Å; F266-L420 HydrophobicContact CD1-CD1 3.93Å; F266-L420 HydrophobicContact CE1-CD1 4.09Å; F266-L420 HydrophobicContact CE1-CD2 4.09Å; F266-L420 HydrophobicContact CZ-CD2 4.36Å; F266-I424 HydrophobicContact CD1-CG2 4.27Å; F266-M428 HydrophobicContact CD1-SD 4.38Å; F266-M428 HydrophobicContact CE1-CE 3.79Å; F266-M428 HydrophobicContact CE1-SD 3.61Å; F266-M428 HydrophobicContact CZ-CE 4.33Å; F266-L462 HydrophobicContact CD2-CB 4.2Å; F266-L462 HydrophobicContact CD2-CD2 4.01Å; F266-L462 HydrophobicContact CE2-CB 3.66Å; F266-L462 HydrophobicContact CE2-CD1 4.23Å; F266-L462 HydrophobicContact CE2-CD2 4.06Å; F266-L462 HydrophobicContact CE2-CG 4.19Å; F266-L462 HydrophobicContact CG-CD2 4.28Å; F266-L462 HydrophobicContact CZ-CB 4.23Å; F266-L462 HydrophobicContact CZ-CD1 3.97Å; F266-L462 HydrophobicContact CZ-CD2 4.34Å; F266-L462 HydrophobicContact CZ-CG 4.41Å; F266-L462 WeakPolarHBondContact O-CD2 3.4Å; F266-R465 HydrophobicContact CB-CB 4.47Å; F266-R465 HydrophobicContact CD2-CB 4.46Å; F266-L476 HydrophobicContact CE1-CD2 3.95Å; F266-L476 HydrophobicContact CZ-CD1 3.97Å; F266-L476 HydrophobicContact CZ-CD2 3.59Å; F266-L476 HydrophobicContact CZ-CG 4.45Å
267	L	97.3	Very high	96.8	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-66.3	-40.1	-179.2	-179.2	59.6	0	0	0	112	N263 V264 F270 H271 A299 P301 I424 E427 M428 L431	N263-L267 PolarHBondContact O-N 3.42Å; N263-L267 VanDerWaalsContact O-N 3.16Å; V264-L267 PolarHBondContact O-N 3.35Å; L267-F270 PolarHBondContact O-N 2.79Å; L267-H271 WeakPolarHBondContact O-CB 3.44Å; L267-H271 PolarHBondContact O-N 3.36Å; L267-A299 HydrophobicContact CD2-CB 4.39Å; L267-P301 HydrophobicContact CD1-CG 4.48Å; L267-P301 HydrophobicContact CD2-CG 4.06Å; L267-P301 HydrophobicContact CG-CG 4.09Å; L267-I424 HydrophobicContact CB-CD1 4.25Å; L267-I424 HydrophobicContact CB-CG2 4.06Å; L267-I424 HydrophobicContact CD1-CG2 4.35Å; L267-I424 HydrophobicContact CD2-CD1 3.81Å; L267-E427 HydrophobicContact CD1-CB 4.02Å; L267-E427 HydrophobicContact CD2-CB 3.9Å; L267-E427 HydrophobicContact CD2-CG 4.29Å; L267-M428 HydrophobicContact CD1-CG 3.74Å; L267-L431 HydrophobicContact CD1-CD1 4.07Å
268	L	97.8	Very high	96.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.7	-49	176.3	-176.1	166.5	0	0	0	110.7	V264 F266 F270 H271 C272 Y334 L372 C374 I388	V264-L268 WeakPolarHBondContact O-CB 2.93Å; V264-L268 PolarHBondContact O-N 3.04Å; F266-L268 PolarHBondContact O-N 2.86Å; L268-F270 VanDerWaalsContact C-N 3.34Å; L268-F270 PolarHBondContact O-N 2.92Å; L268-H271 WeakPolarHBondContact O-CB 3.48Å; L268-H271 PolarHBondContact O-N 3.39Å; L268-C272 PolarHBondContact O-N 3Å; L268-C272 PolarHBondContact O-SG 2.91Å; L268-Y334 HydrophobicContact CB-CE2 4.42Å; L268-Y334 HydrophobicContact CD1-CD1 3.8Å; L268-Y334 HydrophobicContact CD1-CD2 3.78Å; L268-Y334 HydrophobicContact CD1-CE1 4.36Å; L268-Y334 HydrophobicContact CD1-CE2 4.34Å; L268-Y334 HydrophobicContact CD1-CG 3.44Å; L268-Y334 VanDerWaalsContact CD1-CG 3.44Å; L268-Y334 HydrophobicContact CD2-CD2 3.98Å; L268-Y334 HydrophobicContact CD2-CE2 4.27Å; L268-Y334 HydrophobicContact CD2-CG 4.49Å; L268-Y334 HydrophobicContact CG-CD1 4.08Å; L268-Y334 HydrophobicContact CG-CD2 3.45Å; L268-Y334 VanDerWaalsContact CG-CD2 3.45Å; L268-Y334 HydrophobicContact CG-CE1 4.22Å; L268-Y334 HydrophobicContact CG-CE2 3.61Å; L268-Y334 HydrophobicContact CG-CG 3.67Å; L268-L372 HydrophobicContact CD1-CB 4.22Å; L268-L372 HydrophobicContact CD1-CD1 3.74Å; L268-C374 HydrophobicContact CD2-CB 3.66Å; L268-I388 HydrophobicContact CD2-CD1 3.47Å; L268-I388 VanDerWaalsContact CD2-CD1 3.47Å; L268-I388 HydrophobicContact CD2-CG1 4.42Å; L268-I388 HydrophobicContact CG-CD1 4.48Å
269	D	97.6	Very high	96.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.8	-42.7	178.7	-171	23.5	0	0	0	111.9	L265 F266 H271 C272 H273 S386 S461 L462 R465	L265-D269 WeakPolarHBondContact O-CB 3.11Å; L265-D269 PolarHBondContact O-N 3.22Å; F266-D269 PolarHBondContact O-N 3.32Å; D269-H271 PolarHBondContact O-N 3.1Å; D269-C272 PolarHBondContact O-N 3.01Å; D269-H273 PolarHBondContact O-N 2.99Å; D269-H273 PolarHBondContact O-ND1 3.39Å; D269-H273 IonicContact OD1-CE1 3.32Å; D269-H273 PolarHBondContact OD1-CE1 3.22Å; D269-H273 IonicContact OD1-ND1 2.82Å; D269-H273 PolarHBondContact OD1-ND1 3.19Å; D269-H273 VanDerWaalsContact OD1-ND1 3.13Å; D269-S386 WeakPolarHBondContact OD1-CB 3.49Å; D269-S386 PolarHBondContact OD1-OG 3.12Å; D269-S461 PolarHBondContact OD1-OG 3.15Å; D269-S461 WeakPolarHBondContact OD2-CB 3.31Å; D269-S461 PolarHBondContact OD2-OG 3.4Å; D269-L462 HydrophobicContact CB-CD2 4.05Å; D269-R465 WeakPolarHBondContact OD2-CD 3.09Å; D269-R465 IonicContact OD2-CZ 3.48Å; D269-R465 IonicContact OD2-NE 3.87Å; D269-R465 PolarHBondContact OD2-NE 3.3Å; D269-R465 IonicContact OD2-NH1 3.1Å
270	F	97.8	Very high	96.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	8%	0.077	C	C	.	.	H	α-helix	trans	-56.7	-49.5	172.8	175.7	-101.5	0	0	0	111.6	F266 L267 L268 C272 H273 L274 M428 L431 L458 L462 V479 L483	F266-F270 PolarHBondContact O-N 3.04Å; L267-F270 PolarHBondContact O-N 2.79Å; L268-F270 VanDerWaalsContact C-N 3.34Å; L268-F270 PolarHBondContact O-N 2.92Å; F270-C272 VanDerWaalsContact C-N 3.32Å; F270-C272 PolarHBondContact O-N 2.92Å; F270-H273 PolarHBondContact O-N 2.86Å; F270-H273 VanDerWaalsContact O-N 3.16Å; F270-L274 HydrophobicContact CD1-CD1 4.3Å; F270-L274 HydrophobicContact CE1-CD1 3.83Å; F270-L274 HydrophobicContact CE1-CD2 4.06Å; F270-L274 HydrophobicContact CE1-CG 4.35Å; F270-L274 HydrophobicContact CE2-CD2 4.05Å; F270-L274 HydrophobicContact CZ-CD1 4.32Å; F270-L274 HydrophobicContact CZ-CD2 3.79Å; F270-L274 WeakPolarHBondContact O-CG 3.4Å; F270-M428 HydrophobicContact CB-CE 4.19Å; F270-M428 HydrophobicContact CD1-CB 4.06Å; F270-M428 HydrophobicContact CD1-CE 4.08Å; F270-M428 HydrophobicContact CD1-CG 3.75Å; F270-M428 HydrophobicContact CD2-CE 3.39Å; F270-M428 HydrophobicContact CE1-CB 3.67Å; F270-M428 HydrophobicContact CE1-CE 4.29Å; F270-M428 HydrophobicContact CE1-CG 3.92Å; F270-M428 WeakPolarHBondContact CE1-O 3.3Å; F270-M428 HydrophobicContact CE2-CE 3.63Å; F270-M428 HydrophobicContact CG-CE 3.62Å; F270-M428 HydrophobicContact CG-CG 4.18Å; F270-M428 HydrophobicContact CZ-CB 4.05Å; F270-M428 HydrophobicContact CZ-CE 4.09Å; F270-M428 HydrophobicContact CZ-CG 4.47Å; F270-L431 HydrophobicContact CD1-CD1 3.99Å; F270-L431 HydrophobicContact CE1-CB 4.03Å; F270-L431 HydrophobicContact CE1-CD1 4.18Å; F270-L458 HydrophobicContact CD2-CD1 4.24Å; F270-L458 HydrophobicContact CD2-CD2 4.19Å; F270-L458 HydrophobicContact CE2-CD2 4.26Å; F270-L462 HydrophobicContact CB-CD1 4.42Å; F270-L462 HydrophobicContact CB-CD2 4.1Å; F270-L462 HydrophobicContact CD2-CD1 4.17Å; F270-V479 HydrophobicContact CE2-CG1 3.75Å; F270-V479 HydrophobicContact CZ-CG1 3.54Å; F270-L483 HydrophobicContact CE2-CD1 3.84Å; F270-L483 HydrophobicContact CZ-CD1 4.28Å
271	H	98.1	Very high	96.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-56.7	-45.8	179.9	-174.3	-156	0	0	0	112	L267 L268 D269 H273 L274 V280 Y334 L431 Y435	L267-H271 WeakPolarHBondContact O-CB 3.44Å; L267-H271 PolarHBondContact O-N 3.36Å; L268-H271 WeakPolarHBondContact O-CB 3.48Å; L268-H271 PolarHBondContact O-N 3.39Å; D269-H271 PolarHBondContact O-N 3.1Å; H271-H273 PolarHBondContact O-N 2.78Å; H271-L274 PolarHBondContact O-N 3.39Å; H271-V280 PolarHBondContact CE1-O 3.43Å; H271-Y334 AromaticContact ND1-CE2 3.7Å; H271-Y334 AromaticContact ND1-CZ 3.64Å; H271-Y334 PolarHBondContact ND1-OH 2.87Å; H271-L431 HydrophobicContact CB-CD1 3.91Å; H271-Y435 AromaticContact CD2-CE2 3.77Å; H271-Y435 AromaticContact NE2-CE2 3.61Å; H271-Y435 AromaticContact NE2-CZ 3.84Å; H271-Y435 PolarHBondContact NE2-OH 3.17Å
272	C	98.1	Very high	96.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-66.9	-19.7	-178	-63.2	0	0	0	0	113.8	L268 D269 F270 V279 C374 P376	L268-C272 PolarHBondContact O-N 3Å; L268-C272 PolarHBondContact O-SG 2.91Å; D269-C272 PolarHBondContact O-N 3.01Å; F270-C272 VanDerWaalsContact C-N 3.32Å; F270-C272 PolarHBondContact O-N 2.92Å; C272-V279 HydrophobicContact CB-CG2 4.46Å; C272-C374 HydrophobicContact CB-CB 4.08Å; C272-C374 VanDerWaalsContact SG-CB 3.52Å; C272-P376 HydrophobicContact CB-CG 4.3Å; C272-P376 WeakPolarHBondContact O-CG 2.86Å
273	H	97.6	Very high	96.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.4	176.4	-81	91.4	0	0	0	114.2	D269 F270 H271 Y377 S386 V442 F444 K457 L458	D269-H273 PolarHBondContact O-N 2.99Å; D269-H273 PolarHBondContact O-ND1 3.39Å; D269-H273 IonicContact OD1-CE1 3.32Å; D269-H273 PolarHBondContact OD1-CE1 3.22Å; D269-H273 IonicContact OD1-ND1 2.82Å; D269-H273 PolarHBondContact OD1-ND1 3.19Å; D269-H273 VanDerWaalsContact OD1-ND1 3.13Å; F270-H273 PolarHBondContact O-N 2.86Å; F270-H273 VanDerWaalsContact O-N 3.16Å; H271-H273 PolarHBondContact O-N 2.78Å; H273-Y377 WeakPolarHBondContact CA-OH 3.37Å; H273-Y377 WeakPolarHBondContact CB-OH 3.25Å; H273-Y377 AromaticContact CD2-CE1 3.77Å; H273-Y377 AromaticContact CD2-CZ 3.6Å; H273-Y377 PolarHBondContact CD2-OH 2.82Å; H273-Y377 VanDerWaalsContact CD2-OH 3.25Å; H273-Y377 PolarHBondContact O-OH 3.03Å; H273-S386 PolarHBondContact CE1-OG 3.32Å; H273-V442 WeakPolarHBondContact O-CG2 3.48Å; H273-F444 WeakPolarHBondContact O-CZ 3.32Å; H273-K457 PolarHBondContact NE2-NZ 3.05Å; H273-L458 HydrophobicContact CB-CD1 3.67Å
274	L	97.3	Very high	97.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-78	-25.3	-171.5	-60.8	-175.5	0	0	0	113.6	F270 H271 L431 Y435 L441 V442 F444 L483	F270-L274 HydrophobicContact CD1-CD1 4.3Å; F270-L274 HydrophobicContact CE1-CD1 3.83Å; F270-L274 HydrophobicContact CE1-CD2 4.06Å; F270-L274 HydrophobicContact CE1-CG 4.35Å; F270-L274 HydrophobicContact CE2-CD2 4.05Å; F270-L274 HydrophobicContact CZ-CD1 4.32Å; F270-L274 HydrophobicContact CZ-CD2 3.79Å; F270-L274 WeakPolarHBondContact O-CG 3.4Å; H271-L274 PolarHBondContact O-N 3.39Å; L274-L431 HydrophobicContact CD1-CB 3.67Å; L274-L431 HydrophobicContact CD1-CD1 4.4Å; L274-L431 HydrophobicContact CD1-CG 4.48Å; L274-Y435 HydrophobicContact CB-CD2 3.82Å; L274-Y435 HydrophobicContact CB-CE2 4.25Å; L274-Y435 HydrophobicContact CB-CG 4.07Å; L274-Y435 HydrophobicContact CD1-CD2 3.55Å; L274-Y435 HydrophobicContact CD1-CE2 4.04Å; L274-Y435 HydrophobicContact CD1-CG 4.44Å; L274-Y435 HydrophobicContact CG-CD2 4.34Å; L274-L441 WeakPolarHBondContact O-CA 3.26Å; L274-L441 WeakPolarHBondContact O-CD1 3.33Å; L274-V442 PolarHBondContact O-N 3.35Å; L274-F444 HydrophobicContact CD2-CE2 4.41Å; L274-F444 HydrophobicContact CD2-CZ 3.98Å; L274-L483 HydrophobicContact CD2-CD1 4.21Å; L274-L483 HydrophobicContact CD2-CD2 3.81Å
275	T	95.8	Very high	97.1	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-141.9	155.5	-173	172.8	0	0	0	0	112	S277 V279 Y435 D440	T275-S277 VanDerWaalsContact C-N 3.28Å; T275-S277 WeakPolarHBondContact CG2-O 3.16Å; T275-S277 PolarHBondContact OG1-N 3.25Å; T275-V279 HydrophobicContact CG2-CG1 3.23Å; T275-Y435 HydrophobicContact CG2-CD1 4.23Å; T275-Y435 HydrophobicContact CG2-CE1 3.6Å; T275-D440 CarbonylContact C-O 3.53Å; T275-D440 VanDerWaalsContact CA-O 3.31Å; T275-D440 WeakPolarHBondContact CA-O 3.4Å; T275-D440 PolarHBondContact OG1-O 2.99Å; T275-D440 VanDerWaalsContact OG1-O 3.13Å; T275-D440 PolarHBondContact OG1-OD2 3.04Å
276	W	95.4	Very high	97.1	Very high	79 Å²	79	20.6 Å²	20.6	30%	0.299	10%	0.097	S	C	.	.	S	Bend	trans	-73.8	-18.6	169.1	-63.8	119.8	0	0	0	113.7	H339 Y377 D440 V442 Y454	W276-H339 AromaticContact CE3-CE1 3.32Å; W276-H339 AromaticContact CE3-NE2 3.02Å; W276-H339 AromaticContact CZ3-CE1 3.19Å; W276-H339 WeakPolarHBondContact CZ3-CE1 3.48Å; W276-H339 AromaticContact CZ3-NE2 3.42Å; W276-H339 WeakPolarHBondContact CZ3-NE2 3.43Å; W276-Y377 HydrophobicContact CE3-CD2 4.2Å; W276-Y377 HydrophobicContact CE3-CE2 4.46Å; W276-Y377 AromaticContact CZ3-CD2 3.74Å; W276-Y377 HydrophobicContact CZ3-CD2 3.74Å; W276-Y377 HydrophobicContact CZ3-CE2 4.14Å; W276-Y377 AromaticContact CZ3-CG 3.99Å; W276-Y377 HydrophobicContact CZ3-CG 3.99Å; W276-D440 VanDerWaalsContact CD1-O 3.3Å; W276-D440 PolarHBondContact N-O 2.9Å; W276-V442 HydrophobicContact CD2-CG2 4.01Å; W276-V442 HydrophobicContact CE3-CG2 4.27Å; W276-V442 HydrophobicContact CG-CG2 4.42Å; W276-V442 HydrophobicContact CZ2-CG1 4.34Å; W276-V442 HydrophobicContact CZ2-CG2 4.35Å; W276-Y454 HydrophobicContact CH2-CD1 4.33Å; W276-Y454 AromaticContact CH2-CE1 3.48Å; W276-Y454 HydrophobicContact CH2-CE1 3.48Å; W276-Y454 VanDerWaalsContact CH2-CE1 3.48Å; W276-Y454 HydrophobicContact CH2-CE2 4.37Å; W276-Y454 AromaticContact CH2-CZ 3.52Å; W276-Y454 WeakPolarHBondContact CH2-OH 3.39Å; W276-Y454 HydrophobicContact CZ2-CE1 4.19Å; W276-Y454 HydrophobicContact CZ2-CE2 4.42Å; W276-Y454 AromaticContact CZ2-CZ 3.99Å; W276-Y454 HydrophobicContact CZ3-CE1 4.34Å
277	S	94.8	Very high	97	Very high	52 Å²	52	22.9 Å²	22.9	36%	0.364	11%	0.106	S	C	.	.	S	Bend	trans	-83.5	159.1	175	-57.7	0	0	0	0	111.4	T275 D440	T275-S277 VanDerWaalsContact C-N 3.28Å; T275-S277 WeakPolarHBondContact CG2-O 3.16Å; T275-S277 PolarHBondContact OG1-N 3.25Å; S277-D440 WeakPolarHBondContact CB-OD2 3.37Å; S277-D440 PolarHBondContact OG-OD2 3.31Å
278	E	95.3	Very high	96.8	Very high	85 Å²	85	25.7 Å²	25.7	40%	0.397	12%	0.121	S	C	.	.			trans	-67	137.6	172.8	-58.1	-172.9	161.2	0	0	111.1	L306 S336 H337	E278-L306 HydrophobicContact CB-CD1 4.38Å; E278-S336 WeakPolarHBondContact CA-OG 3.47Å; E278-S336 VanDerWaalsContact CG-O 3.28Å; E278-S336 WeakPolarHBondContact CG-O 3.37Å; E278-H337 IonicContact OE1-CD2 2.72Å; E278-H337 PolarHBondContact OE1-CD2 2.75Å
279	V	96.6	Very high	96.4	Very high	4 Å²	4	30 Å²	30	2%	0.024	14%	0.143	C	C	.	.			trans	-115.2	151.8	173.8	-54.4	0	0	0	0	110	C272 T275 H335 S336 Y435	C272-V279 HydrophobicContact CB-CG2 4.46Å; T275-V279 HydrophobicContact CG2-CG1 3.23Å; V279-H335 CarbonylContact O-C 3.55Å; V279-H335 WeakPolarHBondContact O-CA 2.9Å; V279-H335 WeakPolarHBondContact O-CB 3.18Å; V279-S336 PolarHBondContact N-OG 3.02Å; V279-S336 PolarHBondContact O-N 3.45Å; V279-Y435 VanDerWaalsContact CG1-OH 3.23Å; V279-Y435 WeakPolarHBondContact CG1-OH 3.37Å
280	V	97.1	Very high	96.1	Very high	56 Å²	56	36.7 Å²	36.7	34%	0.339	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.5	178.5	-56.3	0	0	0	0	110.9	H271 C302 Y334 H335	H271-V280 PolarHBondContact CE1-O 3.43Å; V280-C302 HydrophobicContact CG2-CB 3.86Å; V280-C302 WeakPolarHBondContact O-CB 3.4Å; V280-C302 PolarHBondContact O-N 3.25Å; V280-Y334 CarbonylContact C-O 3.57Å; V280-Y334 WeakPolarHBondContact CA-O 3.4Å; V280-H335 HydrophobicContact CB-CB 4.45Å; V280-H335 HydrophobicContact CG1-CB 3.85Å
281	G	97.8	Very high	95.8	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	168.5	170.4	0	0	0	0	0	112.9	F300 W333 Y334	G281-F300 CarbonylContact C-O 3.39Å; G281-F300 VanDerWaalsContact CA-O 3.24Å; G281-F300 WeakPolarHBondContact CA-O 3.05Å; G281-W333 CarbonylContact O-C 3.47Å; G281-W333 VanDerWaalsContact O-CA 3.27Å; G281-W333 WeakPolarHBondContact O-CA 3.21Å; G281-Y334 PolarHBondContact N-O 3.04Å; G281-Y334 WeakPolarHBondContact O-CD1 3.19Å; G281-Y334 PolarHBondContact O-N 3.23Å
282	Y	98.4	Very high	95.5	Very high	36 Å²	36	45.1 Å²	45.1	14%	0.141	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	153.9	-179.2	-68	-68.7	0	0	0	112.1	F300 E316 I319 L330 W333	Y282-F300 PolarHBondContact N-O 2.81Å; Y282-F300 PolarHBondContact O-N 3.13Å; Y282-E316 HydrophobicContact CE2-CG 3.83Å; Y282-E316 PolarHBondContact OH-OE1 2.94Å; Y282-I319 HydrophobicContact CD2-CD1 3.83Å; Y282-I319 HydrophobicContact CD2-CG2 4.09Å; Y282-I319 HydrophobicContact CE2-CD1 4.47Å; Y282-I319 HydrophobicContact CG-CG2 4.49Å; Y282-L330 HydrophobicContact CD1-CD1 3.73Å; Y282-L330 HydrophobicContact CG-CD1 4.09Å; Y282-W333 HydrophobicContact CD1-CB 4.36Å
283	L	98.6	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.7	176.6	-58.3	176.1	0	0	0	109.5	V264 V296 A299 V331 G332 W333 Y334 L372	V264-L283 HydrophobicContact CG1-CD2 3.98Å; L283-V296 HydrophobicContact CB-CG1 3.98Å; L283-V296 HydrophobicContact CD1-CG1 4.46Å; L283-V296 HydrophobicContact CD2-CG1 4.25Å; L283-V296 HydrophobicContact CG-CG1 4.46Å; L283-A299 HydrophobicContact CD2-CB 4.44Å; L283-V331 HydrophobicContact CB-CG2 4.17Å; L283-V331 VanDerWaalsContact O-CG2 3.28Å; L283-V331 WeakPolarHBondContact O-CG2 3.45Å; L283-V331 PolarHBondContact O-N 3.19Å; L283-G332 PolarHBondContact N-O 3.05Å; L283-G332 PolarHBondContact O-N 2.94Å; L283-W333 WeakPolarHBondContact CD1-O 3.33Å; L283-Y334 HydrophobicContact CD2-CD1 3.89Å; L283-Y334 HydrophobicContact CG-CD1 4.47Å; L283-L372 HydrophobicContact CD1-CD1 3.7Å; L283-L372 HydrophobicContact CD1-CG 3.82Å; L283-L372 HydrophobicContact CD2-CD1 4.23Å
284	G	98.1	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140	175.9	0	0	0	0	0	112.4	L297 R298 S329	G284-L297 PolarHBondContact O-N 3.24Å; G284-R298 PolarHBondContact N-O 3.03Å; G284-R298 PolarHBondContact O-N 3.16Å; G284-S329 WeakPolarHBondContact CA-O 3.28Å
285	G	97.3	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	-160.7	-171.1	0	0	0	0	0	114.3	T295 S329	G285-T295 CarbonylContact C-O 3.46Å; G285-T295 WeakPolarHBondContact CA-O 3.42Å; G285-S329 PolarHBondContact N-O 3.38Å; G285-S329 PolarHBondContact O-N 2.92Å
286	R	95.8	Very high	95.6	Very high	112 Å²	112	49.2 Å²	49.2	42%	0.423	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.2	176	-60.8	-170.2	-176.4	-65.3	-8.5	109.6	T295 L297 G327	R286-T295 PolarHBondContact N-O 3.3Å; R286-T295 PolarHBondContact O-N 3.37Å; R286-L297 HydrophobicContact CG-CD1 3.97Å; R286-G327 PolarHBondContact NH1-O 3.44Å; R286-G327 PolarHBondContact NH2-O 2.94Å
287	W	94.4	Very high	95.7	Very high	50 Å²	50	48.3 Å²	48.3	19%	0.189	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.8	169.3	171.9	-127.7	0	0	0	108.4	F256 Q292 M293 L294 F366 P368	F256-W287 HydrophobicContact CB-CH2 3.72Å; F256-W287 HydrophobicContact CB-CZ3 3.74Å; F256-W287 HydrophobicContact CG-CZ3 4.41Å; W287-Q292 VanDerWaalsContact CH2-C 3.44Å; W287-Q292 HydrophobicContact CH2-CB 3.97Å; W287-Q292 VanDerWaalsContact CH2-OE1 3.32Å; W287-M293 VanDerWaalsContact CZ3-N 3.34Å; W287-L294 HydrophobicContact CE3-CB 4.2Å; W287-L294 HydrophobicContact CE3-CD1 4.5Å; W287-L294 HydrophobicContact CZ3-CB 4.36Å; W287-F366 HydrophobicContact CH2-CD1 4.06Å; W287-F366 HydrophobicContact CH2-CE1 4.09Å; W287-F366 AromaticContact CZ2-CD1 3.65Å; W287-F366 HydrophobicContact CZ2-CD1 3.65Å; W287-F366 HydrophobicContact CZ2-CE1 4.14Å; W287-F366 PolarHBondContact NE1-O 3.35Å; W287-P368 HydrophobicContact CD2-CG 3.72Å; W287-P368 HydrophobicContact CE3-CG 3.41Å; W287-P368 VanDerWaalsContact CE3-CG 3.41Å; W287-P368 HydrophobicContact CG-CG 4.24Å; W287-P368 HydrophobicContact CH2-CG 4.33Å; W287-P368 HydrophobicContact CZ3-CG 3.74Å
288	D	92.7	Very high	95.8	Very high	59 Å²	59	48.4 Å²	48.4	32%	0.316	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.2	170.7	-177	-6.2	0	0	0	109.1	N290 N291 Q292 M293	D288-N290 VanDerWaalsContact C-N 3.28Å; D288-N290 PolarHBondContact O-N 3.19Å; D288-N290 WeakPolarHBondContact OD1-CB 3.25Å; D288-N290 PolarHBondContact OD1-N 2.99Å; D288-N291 PolarHBondContact OD1-N 2.93Å; D288-N291 PolarHBondContact OD2-ND2 3.38Å; D288-Q292 WeakPolarHBondContact O-CA 3.45Å; D288-Q292 PolarHBondContact O-N 3.47Å; D288-M293 HydrophobicContact CB-CB 4.33Å; D288-M293 PolarHBondContact N-O 3.17Å; D288-M293 PolarHBondContact O-N 2.86Å
289	I	90.6	Very high	95.9	Very high	90 Å²	90	44.6 Å²	44.6	46%	0.462	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-27.5	-179.1	-166	167	0	0	0	112.8	Q292	I289-Q292 PolarHBondContact O-NE2 2.9Å
290	N	90.6	Very high	96	Very high	141 Å²	141	45.2 Å²	45.2	75%	0.754	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-40.1	-176.7	-61.4	-36.5	0	0	0	110.6	D288	D288-N290 VanDerWaalsContact C-N 3.28Å; D288-N290 PolarHBondContact O-N 3.19Å; D288-N290 WeakPolarHBondContact OD1-CB 3.25Å; D288-N290 PolarHBondContact OD1-N 2.99Å
291	N	91.5	Very high	96	Very high	108 Å²	108	42.8 Å²	42.8	58%	0.578	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	1.4	179.7	-64.9	-48.2	0	0	0	113.4	D288 M293	D288-N291 PolarHBondContact OD1-N 2.93Å; D288-N291 PolarHBondContact OD2-ND2 3.38Å; N291-M293 HydrophobicContact CB-CB 3.98Å; N291-M293 PolarHBondContact O-N 3.22Å
292	Q	92.8	Very high	95.9	Very high	72 Å²	72	43 Å²	43	34%	0.336	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	44.2	-171	-63.6	-68.5	-51.1	0	0	111.8	F256 N257 W287 D288 I289	F256-Q292 CarbonylContact C-O 3.58Å; F256-Q292 WeakPolarHBondContact CA-O 3.48Å; F256-Q292 WeakPolarHBondContact CB-O 3.32Å; N257-Q292 PolarHBondContact N-O 2.59Å; W287-Q292 VanDerWaalsContact CH2-C 3.44Å; W287-Q292 HydrophobicContact CH2-CB 3.97Å; W287-Q292 VanDerWaalsContact CH2-OE1 3.32Å; D288-Q292 WeakPolarHBondContact O-CA 3.45Å; D288-Q292 PolarHBondContact O-N 3.47Å; I289-Q292 PolarHBondContact O-NE2 2.9Å
293	M	95.5	Very high	95.7	Very high	43 Å²	43	44.3 Å²	44.3	21%	0.212	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.3	-168.8	-176.9	76.8	-100.8	0	0	110.5	N257 V258 A259 W287 D288 N291	N257-M293 HydrophobicContact CB-CE 3.47Å; N257-M293 VanDerWaalsContact CB-CE 3.47Å; N257-M293 HydrophobicContact CB-SD 3.6Å; N257-M293 WeakPolarHBondContact O-CE 3.41Å; V258-M293 VanDerWaalsContact CA-CE 3.5Å; V258-M293 VanDerWaalsContact N-CE 3.34Å; A259-M293 HydrophobicContact CB-CE 3.66Å; W287-M293 VanDerWaalsContact CZ3-N 3.34Å; D288-M293 HydrophobicContact CB-CB 4.33Å; D288-M293 PolarHBondContact N-O 3.17Å; D288-M293 PolarHBondContact O-N 2.86Å; N291-M293 HydrophobicContact CB-CB 3.98Å; N291-M293 PolarHBondContact O-N 3.22Å
294	L	97.7	Very high	95.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114	169.6	-175.3	63.5	0	0	0	110.2	F256 N257 V258 A259 W287 V296 V331 P368 L370	F256-L294 HydrophobicContact CD2-CB 3.98Å; F256-L294 HydrophobicContact CD2-CD2 4.36Å; F256-L294 HydrophobicContact CE2-CB 4.36Å; F256-L294 HydrophobicContact CE2-CD2 3.9Å; N257-L294 WeakPolarHBondContact O-CB 3.34Å; N257-L294 PolarHBondContact O-N 2.96Å; V258-L294 WeakPolarHBondContact CA-O 3.28Å; A259-L294 PolarHBondContact N-O 2.55Å; W287-L294 HydrophobicContact CE3-CB 4.2Å; W287-L294 HydrophobicContact CE3-CD1 4.5Å; W287-L294 HydrophobicContact CZ3-CB 4.36Å; L294-V296 HydrophobicContact CD2-CG2 4.49Å; L294-V296 HydrophobicContact CG-CG2 4.43Å; L294-V331 HydrophobicContact CD1-CB 3.65Å; L294-V331 HydrophobicContact CD1-CG1 3.6Å; L294-V331 HydrophobicContact CD1-CG2 4.41Å; L294-P368 HydrophobicContact CB-CG 4.11Å; L294-P368 HydrophobicContact CD1-CG 3.64Å; L294-P368 HydrophobicContact CD2-CB 4.16Å; L294-P368 HydrophobicContact CD2-CG 4.09Å; L294-P368 HydrophobicContact CG-CG 4.15Å; L294-L370 HydrophobicContact CD2-CB 3.92Å
295	T	98.3	Very high	94.6	Very high	44 Å²	44	49.5 Å²	49.5	27%	0.27	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.4	174.5	-46.5	0	0	0	0	110.3	A259 G285 R286 L297	A259-T295 HydrophobicContact CB-CG2 4.49Å; A259-T295 CarbonylContact O-C 3.52Å; A259-T295 WeakPolarHBondContact O-CA 3.33Å; G285-T295 CarbonylContact C-O 3.46Å; G285-T295 WeakPolarHBondContact CA-O 3.42Å; R286-T295 PolarHBondContact N-O 3.3Å; R286-T295 PolarHBondContact O-N 3.37Å; T295-L297 HydrophobicContact CG2-CD2 3.61Å; T295-L297 HydrophobicContact CG2-CG 4.03Å
296	V	98.4	Very high	93.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.1	176	-171.5	0	0	0	0	109.2	A259 V260 S261 V264 L283 L294 V331 L370	A259-V296 PolarHBondContact O-N 3.27Å; V260-V296 HydrophobicContact CB-CB 4.45Å; V260-V296 HydrophobicContact CG1-CB 4.18Å; V260-V296 HydrophobicContact CG1-CG1 4.45Å; V260-V296 HydrophobicContact CG2-CB 4.16Å; V260-V296 HydrophobicContact CG2-CG2 4.15Å; S261-V296 PolarHBondContact N-O 2.9Å; V264-V296 HydrophobicContact CG1-CG1 3.93Å; V264-V296 HydrophobicContact CG2-CG1 4.29Å; L283-V296 HydrophobicContact CB-CG1 3.98Å; L283-V296 HydrophobicContact CD1-CG1 4.46Å; L283-V296 HydrophobicContact CD2-CG1 4.25Å; L283-V296 HydrophobicContact CG-CG1 4.46Å; L294-V296 HydrophobicContact CD2-CG2 4.49Å; L294-V296 HydrophobicContact CG-CG2 4.43Å; V296-V331 HydrophobicContact CG2-CG2 4.29Å; V296-L370 HydrophobicContact CG2-CD2 4.07Å
297	L	96.9	Very high	92.3	Very high	59 Å²	59	54.3 Å²	54.3	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-24.5	-167.4	-65.4	173	0	0	0	113.6	G284 R286 T295 L328	G284-L297 PolarHBondContact O-N 3.24Å; R286-L297 HydrophobicContact CG-CD1 3.97Å; T295-L297 HydrophobicContact CG2-CD2 3.61Å; T295-L297 HydrophobicContact CG2-CG 4.03Å; L297-L328 HydrophobicContact CB-CD2 4.35Å; L297-L328 HydrophobicContact CD1-CD2 3.85Å
298	R	96.9	Very high	91.8	Very high	54 Å²	54	54.9 Å²	54.9	20%	0.204	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.6	-178.4	-69.6	-69.7	-178.8	121.4	-5.2	111.1	G284 F300 R326 L328 D423	G284-R298 PolarHBondContact N-O 3.03Å; G284-R298 PolarHBondContact O-N 3.16Å; R298-F300 HydrophobicContact CB-CD2 4.39Å; R298-F300 HydrophobicContact CB-CE2 3.58Å; R298-F300 HydrophobicContact CB-CZ 3.79Å; R298-F300 HydrophobicContact CG-CZ 4.39Å; R298-R326 VanDerWaalsContact CZ-NH1 3.25Å; R298-R326 VanDerWaalsContact NH1-CZ 3.3Å; R298-R326 VanDerWaalsContact NH2-NH1 3.17Å; R298-L328 HydrophobicContact CB-CD1 4.06Å; R298-L328 HydrophobicContact CG-CD1 3.74Å; R298-D423 IonicContact CZ-OD2 2.94Å; R298-D423 IonicContact NH1-OD2 3.66Å; R298-D423 PolarHBondContact NH1-OD2 3.24Å; R298-D423 IonicContact NH2-OD2 2.73Å; R298-D423 PolarHBondContact NH2-OD2 2.81Å
299	A	97.9	Very high	91.4	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145	162.4	0	0	0	0	0	109.5	V264 L267 L283 Y334	V264-A299 HydrophobicContact CG1-CB 3.99Å; L267-A299 HydrophobicContact CD2-CB 4.39Å; L283-A299 HydrophobicContact CD2-CB 4.44Å; A299-Y334 HydrophobicContact CB-CE1 4.21Å
300	F	97.9	Very high	91.1	Very high	17 Å²	17	58.1 Å²	58.1	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	88.7	176.1	-63.8	-85.1	0	0	0	108.7	G281 Y282 R298 C302 I319 V322 L323 L328	G281-F300 CarbonylContact C-O 3.39Å; G281-F300 VanDerWaalsContact CA-O 3.24Å; G281-F300 WeakPolarHBondContact CA-O 3.05Å; Y282-F300 PolarHBondContact N-O 2.81Å; Y282-F300 PolarHBondContact O-N 3.13Å; R298-F300 HydrophobicContact CB-CD2 4.39Å; R298-F300 HydrophobicContact CB-CE2 3.58Å; R298-F300 HydrophobicContact CB-CZ 3.79Å; R298-F300 HydrophobicContact CG-CZ 4.39Å; F300-C302 PolarHBondContact O-N 2.81Å; F300-I319 HydrophobicContact CB-CD1 4.06Å; F300-I319 HydrophobicContact CB-CG1 4.14Å; F300-I319 HydrophobicContact CB-CG2 3.79Å; F300-I319 HydrophobicContact CD1-CG2 4.29Å; F300-I319 HydrophobicContact CG-CG2 3.95Å; F300-V322 HydrophobicContact CD1-CG1 4.49Å; F300-V322 HydrophobicContact CE1-CB 4.24Å; F300-V322 HydrophobicContact CE1-CG1 3.63Å; F300-V322 HydrophobicContact CZ-CG1 4.39Å; F300-L323 HydrophobicContact CD2-CD2 4.15Å; F300-L323 HydrophobicContact CE2-CD2 3.48Å; F300-L323 VanDerWaalsContact CE2-CD2 3.48Å; F300-L323 HydrophobicContact CE2-CG 4.11Å; F300-L323 HydrophobicContact CZ-CD2 3.93Å; F300-L323 HydrophobicContact CZ-CG 4.3Å; F300-L328 HydrophobicContact CE2-CD1 4.43Å; F300-L328 HydrophobicContact CZ-CD1 4.17Å
301	P	97.7	Very high	91	Very high	6 Å²	6	54 Å²	54	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	130.2	176.4	-24.9	35.1	0	0	0	112	L267 R303 Y334 L431	L267-P301 HydrophobicContact CD1-CG 4.48Å; L267-P301 HydrophobicContact CD2-CG 4.06Å; L267-P301 HydrophobicContact CG-CG 4.09Å; P301-R303 PolarHBondContact O-N 3.48Å; P301-Y334 WeakPolarHBondContact CA-OH 3.24Å; P301-Y334 WeakPolarHBondContact CG-OH 3.27Å; P301-L431 HydrophobicContact CB-CD1 3.97Å; P301-L431 HydrophobicContact CB-CD2 3.74Å; P301-L431 HydrophobicContact CB-CG 4.21Å; P301-L431 HydrophobicContact CG-CD1 3.81Å; P301-L431 HydrophobicContact CG-CD2 4.46Å; P301-L431 HydrophobicContact CG-CG 4.42Å
302	C	95.9	Very high	91	Very high	7 Å²	7	50 Å²	50	5%	0.047	28%	0.282	C	S	.	.			trans	-81.8	112.8	174.4	-65.9	0	0	0	0	110.2	V280 F300 S304 V315	V280-C302 HydrophobicContact CG2-CB 3.86Å; V280-C302 WeakPolarHBondContact O-CB 3.4Å; V280-C302 PolarHBondContact O-N 3.25Å; F300-C302 PolarHBondContact O-N 2.81Å; C302-S304 PolarHBondContact O-N 2.92Å; C302-V315 HydrophobicContact CB-CG1 4.22Å
303	R	93.6	Very high	90.8	Very high	63 Å²	63	49.2 Å²	49.2	24%	0.238	29%	0.287	C	S	.	.			trans	-84.7	56.5	175.4	-67.8	-177.9	-70.9	-106.8	-2	111.5	P301 E427 L431 F434	P301-R303 PolarHBondContact O-N 3.48Å; R303-E427 IonicContact CZ-OE2 3.57Å; R303-E427 IonicContact NH1-OE2 3.84Å; R303-E427 PolarHBondContact NH1-OE2 2.83Å; R303-L431 HydrophobicContact CG-CD2 4.06Å; R303-F434 HydrophobicContact CB-CD1 4.29Å; R303-F434 HydrophobicContact CB-CD2 3.89Å; R303-F434 HydrophobicContact CB-CE1 4.4Å; R303-F434 HydrophobicContact CB-CE2 4.01Å; R303-F434 HydrophobicContact CB-CG 4.04Å; R303-F434 HydrophobicContact CB-CZ 4.27Å; R303-F434 HydrophobicContact CG-CB 4.39Å; R303-F434 HydrophobicContact CG-CD1 4.35Å; R303-F434 HydrophobicContact CG-CD2 4.45Å; R303-F434 HydrophobicContact CG-CG 4.14Å; R303-F434 WeakPolarHBondContact O-CE2 3.49Å; R303-F434 WeakPolarHBondContact O-CZ 3.23Å
304	S	90.3	Very high	90.7	Very high	23 Å²	23	50.9 Å²	50.9	16%	0.161	30%	0.3	C	S	.	.			trans	-137.3	148.4	179.5	57.3	0	0	0	0	110.3	C302	C302-S304 PolarHBondContact O-N 2.92Å
305	R	84.4	Confident	90.5	Very high	87 Å²	87	51.6 Å²	51.6	33%	0.328	30%	0.304	S	S	.	.			trans	-87.5	146.4	175.7	-64.4	-69.2	176.3	164.2	-2.7	110.6	G307 D308 D440	R305-G307 PolarHBondContact O-N 2.8Å; R305-G307 VanDerWaalsContact O-N 3.12Å; R305-D308 PolarHBondContact O-N 2.93Å; R305-D308 VanDerWaalsContact O-N 3.17Å; R305-D440 IonicContact CZ-OD1 2.88Å; R305-D440 IonicContact NH1-OD1 3.37Å; R305-D440 PolarHBondContact NH1-OD1 2.71Å; R305-D440 IonicContact NH1-OD2 3.52Å; R305-D440 PolarHBondContact NH1-OD2 3.35Å; R305-D440 IonicContact NH2-OD1 3.63Å
306	L	72.7	Confident	90.3	Very high	132 Å²	132	53.9 Å²	53.9	69%	0.691	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	115.1	171	-72.8	161.3	0	0	0	109	E278	E278-L306 HydrophobicContact CB-CD1 4.38Å
307	G	72.1	Confident	90	Very high	80 Å²	80	61 Å²	61	83%	0.825	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.4	3.3	-178.8	0	0	0	0	0	115.9	R305 P309	R305-G307 PolarHBondContact O-N 2.8Å; R305-G307 VanDerWaalsContact O-N 3.12Å; G307-P309 VanDerWaalsContact O-CD 3.3Å; G307-P309 WeakPolarHBondContact O-CD 3.19Å
308	D	84.1	Confident	89.9	Confident	62 Å²	62	62.7 Å²	62.7	33%	0.332	35%	0.352	S	S	.	.			trans	-109.3	86.5	170.3	-174	-8.8	0	0	0	110.7	R305 D310 T311 A312	R305-D308 PolarHBondContact O-N 2.93Å; R305-D308 VanDerWaalsContact O-N 3.17Å; D308-D310 VanDerWaalsContact C-N 3.34Å; D308-D310 PolarHBondContact O-N 3.48Å; D308-D310 PolarHBondContact OD1-N 3.48Å; D308-T311 VanDerWaalsContact CG-CB 3.42Å; D308-T311 PolarHBondContact OD1-N 3.08Å; D308-T311 VanDerWaalsContact OD1-N 3.13Å; D308-T311 PolarHBondContact OD1-OG1 2.75Å; D308-T311 WeakPolarHBondContact OD2-CB 3.39Å; D308-T311 PolarHBondContact OD2-OG1 3.47Å; D308-A312 VanDerWaalsContact O-CB 3.31Å; D308-A312 WeakPolarHBondContact O-CB 3.31Å; D308-A312 PolarHBondContact O-N 3.29Å
309	P	83.9	Confident	89.9	Confident	91 Å²	91	61 Å²	61	59%	0.591	35%	0.346	S	S	*	.	H	α-helix	trans	-69.9	-29.6	-173.6	28.8	-35.1	0	0	0	113.1	G307 A312 A313	G307-P309 VanDerWaalsContact O-CD 3.3Å; G307-P309 WeakPolarHBondContact O-CD 3.19Å; P309-A312 PolarHBondContact O-N 2.94Å; P309-A313 WeakPolarHBondContact O-CB 3.45Å; P309-A313 PolarHBondContact O-N 2.87Å
310	D	85	Confident	89.7	Confident	127 Å²	127	66.8 Å²	66.8	68%	0.679	37%	0.372	S	S	*	.	H	α-helix	trans	-72.4	-44.4	-178.1	-65.6	-34.7	0	0	0	110.5	D308 A313 T314	D308-D310 VanDerWaalsContact C-N 3.34Å; D308-D310 PolarHBondContact O-N 3.48Å; D308-D310 PolarHBondContact OD1-N 3.48Å; D310-A313 PolarHBondContact O-N 2.92Å; D310-T314 PolarHBondContact O-N 3.45Å; D310-T314 VanDerWaalsContact O-N 3.17Å; D310-T314 PolarHBondContact O-OG1 3.13Å
311	T	88.4	Confident	89.5	Confident	53 Å²	53	71.8 Å²	71.8	33%	0.325	40%	0.396	S	S	.	.	H	α-helix	trans	-66.1	-40.7	173.1	-59.3	0	0	0	0	110.9	D308 A313 T314 V315	D308-T311 VanDerWaalsContact CG-CB 3.42Å; D308-T311 PolarHBondContact OD1-N 3.08Å; D308-T311 VanDerWaalsContact OD1-N 3.13Å; D308-T311 PolarHBondContact OD1-OG1 2.75Å; D308-T311 WeakPolarHBondContact OD2-CB 3.39Å; D308-T311 PolarHBondContact OD2-OG1 3.47Å; T311-A313 PolarHBondContact O-N 3.38Å; T311-T314 PolarHBondContact O-N 3.01Å; T311-V315 HydrophobicContact CG2-CG2 4.25Å; T311-V315 VanDerWaalsContact O-CG2 3.32Å; T311-V315 WeakPolarHBondContact O-CG2 3.3Å; T311-V315 PolarHBondContact O-N 3.21Å
312	A	89.7	Confident	89.3	Confident	26 Å²	26	74 Å²	74	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-59.1	-46	177.2	0	0	0	0	0	112.1	D308 P309 T314 V315 E316	D308-A312 VanDerWaalsContact O-CB 3.31Å; D308-A312 WeakPolarHBondContact O-CB 3.31Å; D308-A312 PolarHBondContact O-N 3.29Å; P309-A312 PolarHBondContact O-N 2.94Å; A312-T314 VanDerWaalsContact C-N 3.32Å; A312-T314 PolarHBondContact O-N 3.35Å; A312-V315 PolarHBondContact O-N 2.98Å; A312-E316 WeakPolarHBondContact O-CB 3.46Å; A312-E316 WeakPolarHBondContact O-CG 3.19Å; A312-E316 PolarHBondContact O-N 3.38Å
313	A	90.4	Very high	89.2	Confident	55 Å²	55	74 Å²	74	46%	0.455	41%	0.408	S	S	.	.	H	α-helix	trans	-61.8	-39.6	177.3	0	0	0	0	0	112.4	P309 D310 T311 E316 E317	P309-A313 WeakPolarHBondContact O-CB 3.45Å; P309-A313 PolarHBondContact O-N 2.87Å; D310-A313 PolarHBondContact O-N 2.92Å; T311-A313 PolarHBondContact O-N 3.38Å; A313-E316 PolarHBondContact O-N 3.12Å; A313-E317 PolarHBondContact O-N 3.22Å
314	T	93	Very high	89.2	Confident	78 Å²	78	73.2 Å²	73.2	48%	0.479	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-46.5	176.8	-54.5	0	0	0	0	111.1	D310 T311 A312 E316 E317 E318	D310-T314 PolarHBondContact O-N 3.45Å; D310-T314 VanDerWaalsContact O-N 3.17Å; D310-T314 PolarHBondContact O-OG1 3.13Å; T311-T314 PolarHBondContact O-N 3.01Å; A312-T314 VanDerWaalsContact C-N 3.32Å; A312-T314 PolarHBondContact O-N 3.35Å; T314-E316 VanDerWaalsContact C-N 3.32Å; T314-E316 PolarHBondContact O-N 3.19Å; T314-E317 PolarHBondContact O-N 3.02Å; T314-E318 WeakPolarHBondContact O-CG 3.43Å; T314-E318 PolarHBondContact O-N 3.34Å
315	V	93.4	Very high	89.3	Confident	14 Å²	14	77.6 Å²	77.6	9%	0.085	43%	0.428	C	S	.	.	H	α-helix	trans	-62.1	-40	177.2	170.3	0	0	0	0	111.3	C302 T311 A312 E318 I319	C302-V315 HydrophobicContact CB-CG1 4.22Å; T311-V315 HydrophobicContact CG2-CG2 4.25Å; T311-V315 VanDerWaalsContact O-CG2 3.32Å; T311-V315 WeakPolarHBondContact O-CG2 3.3Å; T311-V315 PolarHBondContact O-N 3.21Å; A312-V315 PolarHBondContact O-N 2.98Å; V315-E318 PolarHBondContact O-N 3.25Å; V315-I319 HydrophobicContact CG1-CD1 3.76Å; V315-I319 HydrophobicContact CG1-CG1 4.41Å; V315-I319 WeakPolarHBondContact O-CB 3.39Å; V315-I319 VanDerWaalsContact O-CG1 3.25Å; V315-I319 WeakPolarHBondContact O-CG1 3.44Å; V315-I319 PolarHBondContact O-N 3.44Å
316	E	93.6	Very high	89.6	Confident	93 Å²	93	77.9 Å²	77.9	44%	0.435	43%	0.429	S	S	.	.	H	α-helix	trans	-62.8	-42.7	175.6	-78.5	-178.2	176.6	0	0	112.7	Y282 A312 A313 T314 I319 H320	Y282-E316 HydrophobicContact CE2-CG 3.83Å; Y282-E316 PolarHBondContact OH-OE1 2.94Å; A312-E316 WeakPolarHBondContact O-CB 3.46Å; A312-E316 WeakPolarHBondContact O-CG 3.19Å; A312-E316 PolarHBondContact O-N 3.38Å; A313-E316 PolarHBondContact O-N 3.12Å; T314-E316 VanDerWaalsContact C-N 3.32Å; T314-E316 PolarHBondContact O-N 3.19Å; E316-I319 PolarHBondContact O-N 2.95Å; E316-H320 WeakPolarHBondContact O-CB 3.34Å; E316-H320 PolarHBondContact O-N 3.41Å
317	E	93	Very high	90.7	Very high	148 Å²	148	72.2 Å²	72.2	69%	0.692	40%	0.402	S	S	*	.	H	α-helix	trans	-65.4	-41.5	177	-174.1	160.9	-153.4	0	0	111.8	A313 T314 H320 Q321	A313-E317 PolarHBondContact O-N 3.22Å; T314-E317 PolarHBondContact O-N 3.02Å; E317-H320 PolarHBondContact O-N 3.24Å; E317-Q321 PolarHBondContact O-N 2.63Å
318	E	94.8	Very high	91.8	Very high	96 Å²	96	69.4 Å²	69.4	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-49.2	173.3	-73.3	-179.7	-175.4	0	0	111.6	T314 V315 H320 Q321 V322	T314-E318 WeakPolarHBondContact O-CG 3.43Å; T314-E318 PolarHBondContact O-N 3.34Å; V315-E318 PolarHBondContact O-N 3.25Å; E318-H320 VanDerWaalsContact C-N 3.31Å; E318-H320 PolarHBondContact O-N 3.01Å; E318-Q321 WeakPolarHBondContact O-CB 3.17Å; E318-Q321 PolarHBondContact O-N 3.26Å; E318-Q321 VanDerWaalsContact O-N 3.15Å; E318-V322 WeakPolarHBondContact O-CG2 3.45Å; E318-V322 PolarHBondContact O-N 3.44Å
319	I	95.8	Very high	92.3	Very high	17 Å²	17	69.2 Å²	69.2	9%	0.087	37%	0.372	C	S	.	.	H	α-helix	trans	-61.5	-42.3	179	-70.5	171.2	0	0	0	110.5	Y282 F300 V315 E316 Q321 V322 L323	Y282-I319 HydrophobicContact CD2-CD1 3.83Å; Y282-I319 HydrophobicContact CD2-CG2 4.09Å; Y282-I319 HydrophobicContact CE2-CD1 4.47Å; Y282-I319 HydrophobicContact CG-CG2 4.49Å; F300-I319 HydrophobicContact CB-CD1 4.06Å; F300-I319 HydrophobicContact CB-CG1 4.14Å; F300-I319 HydrophobicContact CB-CG2 3.79Å; F300-I319 HydrophobicContact CD1-CG2 4.29Å; F300-I319 HydrophobicContact CG-CG2 3.95Å; V315-I319 HydrophobicContact CG1-CD1 3.76Å; V315-I319 HydrophobicContact CG1-CG1 4.41Å; V315-I319 WeakPolarHBondContact O-CB 3.39Å; V315-I319 VanDerWaalsContact O-CG1 3.25Å; V315-I319 WeakPolarHBondContact O-CG1 3.44Å; V315-I319 PolarHBondContact O-N 3.44Å; E316-I319 PolarHBondContact O-N 2.95Å; I319-Q321 VanDerWaalsContact C-N 3.32Å; I319-Q321 PolarHBondContact O-N 3.27Å; I319-V322 PolarHBondContact O-N 2.93Å; I319-L323 HydrophobicContact CG2-CD1 4.08Å; I319-L323 HydrophobicContact CG2-CG 4.4Å; I319-L323 WeakPolarHBondContact O-CB 3.37Å; I319-L323 WeakPolarHBondContact O-CG 3.45Å; I319-L323 PolarHBondContact O-N 3.17Å
320	H	94.2	Very high	92.9	Very high	128 Å²	128	67.7 Å²	67.7	59%	0.593	36%	0.358	S	S	*	.	H	α-helix	trans	-61.6	-40.8	176.4	-176.7	-146	0	0	0	111.8	E316 E317 E318 F324	E316-H320 WeakPolarHBondContact O-CB 3.34Å; E316-H320 PolarHBondContact O-N 3.41Å; E317-H320 PolarHBondContact O-N 3.24Å; E318-H320 VanDerWaalsContact C-N 3.31Å; E318-H320 PolarHBondContact O-N 3.01Å; H320-F324 WeakPolarHBondContact O-CB 3.42Å; H320-F324 PolarHBondContact O-N 3.35Å
321	Q	93.9	Very high	93.4	Very high	121 Å²	121	61.7 Å²	61.7	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-64.3	-41.4	174.6	-169.4	179.3	13	0	0	112	E317 E318 I319 F324 L325	E317-Q321 PolarHBondContact O-N 2.63Å; E318-Q321 WeakPolarHBondContact O-CB 3.17Å; E318-Q321 PolarHBondContact O-N 3.26Å; E318-Q321 VanDerWaalsContact O-N 3.15Å; I319-Q321 VanDerWaalsContact C-N 3.32Å; I319-Q321 PolarHBondContact O-N 3.27Å; Q321-F324 WeakPolarHBondContact O-CB 3.19Å; Q321-F324 PolarHBondContact O-N 2.89Å; Q321-L325 HydrophobicContact CG-CD1 4.09Å; Q321-L325 HydrophobicContact CG-CG 4.45Å; Q321-L325 WeakPolarHBondContact O-CB 3.49Å; Q321-L325 VanDerWaalsContact O-CG 3.28Å; Q321-L325 WeakPolarHBondContact O-CG 3.47Å; Q321-L325 PolarHBondContact O-N 3.42Å
322	V	93.1	Very high	93.9	Very high	52 Å²	52	59.2 Å²	59.2	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-69	-43.5	179.2	179	0	0	0	0	111.6	F300 E318 I319 F324 L325 R326	F300-V322 HydrophobicContact CD1-CG1 4.49Å; F300-V322 HydrophobicContact CE1-CB 4.24Å; F300-V322 HydrophobicContact CE1-CG1 3.63Å; F300-V322 HydrophobicContact CZ-CG1 4.39Å; E318-V322 WeakPolarHBondContact O-CG2 3.45Å; E318-V322 PolarHBondContact O-N 3.44Å; I319-V322 PolarHBondContact O-N 2.93Å; V322-F324 PolarHBondContact O-N 2.86Å; V322-L325 PolarHBondContact O-N 2.9Å; V322-R326 HydrophobicContact CG1-CG 4.29Å; V322-R326 WeakPolarHBondContact O-CB 3.34Å; V322-R326 WeakPolarHBondContact O-CG 3.23Å; V322-R326 PolarHBondContact O-N 2.93Å
323	L	94.4	Very high	94.3	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-53.1	-49.3	171.7	-80.3	168.7	0	0	0	110.2	F300 I319 R326 G327 L328 L330	F300-L323 HydrophobicContact CD2-CD2 4.15Å; F300-L323 HydrophobicContact CE2-CD2 3.48Å; F300-L323 VanDerWaalsContact CE2-CD2 3.48Å; F300-L323 HydrophobicContact CE2-CG 4.11Å; F300-L323 HydrophobicContact CZ-CD2 3.93Å; F300-L323 HydrophobicContact CZ-CG 4.3Å; I319-L323 HydrophobicContact CG2-CD1 4.08Å; I319-L323 HydrophobicContact CG2-CG 4.4Å; I319-L323 WeakPolarHBondContact O-CB 3.37Å; I319-L323 WeakPolarHBondContact O-CG 3.45Å; I319-L323 PolarHBondContact O-N 3.17Å; L323-R326 PolarHBondContact O-N 3.29Å; L323-G327 PolarHBondContact O-N 3Å; L323-G327 VanDerWaalsContact O-N 3.1Å; L323-L328 HydrophobicContact CD2-CB 3.79Å; L323-L328 PolarHBondContact O-N 2.73Å; L323-L330 HydrophobicContact CD1-CB 4.08Å; L323-L330 HydrophobicContact CD1-CD1 4.3Å
324	F	92.6	Very high	94.7	Very high	47 Å²	47	56.3 Å²	56.3	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-58.3	-53.1	179.2	175.3	-81.4	0	0	0	111.5	T61 R62 H320 Q321 V322 R326 G327	T61-F324 HydrophobicContact CG2-CD1 3.2Å; T61-F324 HydrophobicContact CG2-CE1 3.01Å; T61-F324 HydrophobicContact CG2-CE2 4.33Å; T61-F324 HydrophobicContact CG2-CG 4.1Å; T61-F324 HydrophobicContact CG2-CZ 3.73Å; T61-F324 WeakPolarHBondContact OG1-CD1 3.48Å; T61-F324 WeakPolarHBondContact OG1-CD2 3.36Å; T61-F324 VanDerWaalsContact OG1-CE1 3.23Å; T61-F324 WeakPolarHBondContact OG1-CE1 3.4Å; T61-F324 WeakPolarHBondContact OG1-CE2 3.46Å; T61-F324 WeakPolarHBondContact OG1-CG 3.39Å; T61-F324 WeakPolarHBondContact OG1-CZ 3.49Å; R62-F324 HydrophobicContact CB-CE2 3.49Å; R62-F324 VanDerWaalsContact CB-CE2 3.49Å; R62-F324 HydrophobicContact CB-CZ 3.67Å; H320-F324 WeakPolarHBondContact O-CB 3.42Å; H320-F324 PolarHBondContact O-N 3.35Å; Q321-F324 WeakPolarHBondContact O-CB 3.19Å; Q321-F324 PolarHBondContact O-N 2.89Å; V322-F324 PolarHBondContact O-N 2.86Å; F324-R326 VanDerWaalsContact C-N 3.29Å; F324-R326 PolarHBondContact O-N 3.41Å; F324-G327 PolarHBondContact O-N 2.93Å
325	L	93.2	Very high	94.9	Very high	115 Å²	115	53 Å²	53	60%	0.602	26%	0.262	S	S	*	.	H	α-helix	trans	-63.8	-32.7	-178.4	-73.3	171.9	0	0	0	112.9	Q321 V322 G327	Q321-L325 HydrophobicContact CG-CD1 4.09Å; Q321-L325 HydrophobicContact CG-CG 4.45Å; Q321-L325 WeakPolarHBondContact O-CB 3.49Å; Q321-L325 VanDerWaalsContact O-CG 3.28Å; Q321-L325 WeakPolarHBondContact O-CG 3.47Å; Q321-L325 PolarHBondContact O-N 3.42Å; V322-L325 PolarHBondContact O-N 2.9Å; L325-G327 VanDerWaalsContact C-N 3.28Å
326	R	91.3	Very high	95.2	Very high	93 Å²	93	52.3 Å²	52.3	35%	0.351	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.2	176.5	-65.5	-176.5	-177.7	-105.2	7.9	113.1	R298 V322 L323 F324 L328 D423	R298-R326 VanDerWaalsContact CZ-NH1 3.25Å; R298-R326 VanDerWaalsContact NH1-CZ 3.3Å; R298-R326 VanDerWaalsContact NH2-NH1 3.17Å; V322-R326 HydrophobicContact CG1-CG 4.29Å; V322-R326 WeakPolarHBondContact O-CB 3.34Å; V322-R326 WeakPolarHBondContact O-CG 3.23Å; V322-R326 PolarHBondContact O-N 2.93Å; L323-R326 PolarHBondContact O-N 3.29Å; F324-R326 VanDerWaalsContact C-N 3.29Å; F324-R326 PolarHBondContact O-N 3.41Å; R326-L328 HydrophobicContact CB-CD1 4.05Å; R326-L328 HydrophobicContact CB-CG 4.07Å; R326-L328 PolarHBondContact O-N 3.46Å; R326-D423 IonicContact CZ-OD2 3.25Å; R326-D423 IonicContact NH1-OD2 3.55Å; R326-D423 PolarHBondContact NH1-OD2 2.94Å; R326-D423 IonicContact NH2-OD1 3.67Å; R326-D423 IonicContact NH2-OD2 2.81Å; R326-D423 PolarHBondContact NH2-OD2 3.06Å; R326-D423 VanDerWaalsContact NH2-OD2 3.11Å
327	G	94.2	Very high	95.3	Very high	13 Å²	13	48.1 Å²	48.1	13%	0.134	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	35.3	-177.9	0	0	0	0	0	112.8	R286 L323 F324 L325	R286-G327 PolarHBondContact NH1-O 3.44Å; R286-G327 PolarHBondContact NH2-O 2.94Å; L323-G327 PolarHBondContact O-N 3Å; L323-G327 VanDerWaalsContact O-N 3.1Å; F324-G327 PolarHBondContact O-N 2.93Å; L325-G327 VanDerWaalsContact C-N 3.28Å
328	L	95.6	Very high	95.5	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.11	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-101.9	152.1	175.1	-64.5	174.7	0	0	0	109.7	L297 R298 F300 L323 R326	L297-L328 HydrophobicContact CB-CD2 4.35Å; L297-L328 HydrophobicContact CD1-CD2 3.85Å; R298-L328 HydrophobicContact CB-CD1 4.06Å; R298-L328 HydrophobicContact CG-CD1 3.74Å; F300-L328 HydrophobicContact CE2-CD1 4.43Å; F300-L328 HydrophobicContact CZ-CD1 4.17Å; L323-L328 HydrophobicContact CD2-CB 3.79Å; L323-L328 PolarHBondContact O-N 2.73Å; R326-L328 HydrophobicContact CB-CD1 4.05Å; R326-L328 HydrophobicContact CB-CG 4.07Å; R326-L328 PolarHBondContact O-N 3.46Å
329	S	94.6	Very high	95.5	Very high	59 Å²	59	41.6 Å²	41.6	41%	0.413	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149.4	169.7	-60.7	0	0	0	0	109.7	G284 G285 V331	G284-S329 WeakPolarHBondContact CA-O 3.28Å; G285-S329 PolarHBondContact N-O 3.38Å; G285-S329 PolarHBondContact O-N 2.92Å; S329-V331 PolarHBondContact O-N 2.88Å
330	L	96.3	Very high	95.5	Very high	58 Å²	58	42.4 Å²	42.4	30%	0.304	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123	163.1	-179	63.8	0	0	0	108.2	Y282 L323 G332 L359 Q367	Y282-L330 HydrophobicContact CD1-CD1 3.73Å; Y282-L330 HydrophobicContact CG-CD1 4.09Å; L323-L330 HydrophobicContact CD1-CB 4.08Å; L323-L330 HydrophobicContact CD1-CD1 4.3Å; L330-G332 WeakPolarHBondContact CD1-O 3.38Å; L330-L359 HydrophobicContact CB-CD2 4.28Å; L330-L359 HydrophobicContact CD2-CD2 4.23Å; L330-L359 HydrophobicContact CG-CD2 4.24Å; L330-Q367 PolarHBondContact O-NE2 3.04Å
331	V	97	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-1.1	-174.4	-67	0	0	0	0	113.2	L283 L294 V296 S329 C369 L370	L283-V331 HydrophobicContact CB-CG2 4.17Å; L283-V331 VanDerWaalsContact O-CG2 3.28Å; L283-V331 WeakPolarHBondContact O-CG2 3.45Å; L283-V331 PolarHBondContact O-N 3.19Å; L294-V331 HydrophobicContact CD1-CB 3.65Å; L294-V331 HydrophobicContact CD1-CG1 3.6Å; L294-V331 HydrophobicContact CD1-CG2 4.41Å; V296-V331 HydrophobicContact CG2-CG2 4.29Å; S329-V331 PolarHBondContact O-N 2.88Å; V331-C369 CarbonylContact O-C 3.58Å; V331-C369 WeakPolarHBondContact O-CA 3.5Å; V331-L370 PolarHBondContact O-N 3.48Å
332	G	97.8	Very high	95.7	Very high	2 Å²	2	31.3 Å²	31.3	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-168.7	-176.4	0	0	0	0	0	113.5	L283 L330 L370	L283-G332 PolarHBondContact N-O 3.05Å; L283-G332 PolarHBondContact O-N 2.94Å; L330-G332 WeakPolarHBondContact CD1-O 3.38Å; G332-L370 CarbonylContact C-O 3.56Å; G332-L370 WeakPolarHBondContact CA-O 3.37Å
333	W	98.5	Very high	95.9	Very high	19 Å²	19	29.8 Å²	29.8	7%	0.072	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	166.9	-177.5	65.5	-70.4	0	0	0	109.9	G281 Y282 L283 H335 D348 Q352 Y355 L370 A371 L372 F391	G281-W333 CarbonylContact O-C 3.47Å; G281-W333 VanDerWaalsContact O-CA 3.27Å; G281-W333 WeakPolarHBondContact O-CA 3.21Å; Y282-W333 HydrophobicContact CD1-CB 4.36Å; L283-W333 WeakPolarHBondContact CD1-O 3.33Å; W333-H335 AromaticContact CH2-CE1 3.82Å; W333-H335 AromaticContact CH2-ND1 3.42Å; W333-H335 WeakPolarHBondContact CH2-ND1 3.24Å; W333-H335 HydrophobicContact CZ3-CB 4.34Å; W333-H335 AromaticContact CZ3-CE1 3.86Å; W333-H335 AromaticContact CZ3-ND1 3.01Å; W333-H335 WeakPolarHBondContact CZ3-ND1 3.39Å; W333-D348 HydrophobicContact CH2-CB 4.44Å; W333-Q352 HydrophobicContact CZ2-CB 4.31Å; W333-Y355 AromaticContact CD1-CD2 3.65Å; W333-Y355 HydrophobicContact CD2-CD2 4.18Å; W333-Y355 AromaticContact CD2-CE2 3.91Å; W333-Y355 HydrophobicContact CD2-CE2 3.91Å; W333-Y355 AromaticContact CE2-CD2 3.81Å; W333-Y355 AromaticContact CE2-CE2 3.84Å; W333-Y355 HydrophobicContact CE3-CE2 4.39Å; W333-Y355 HydrophobicContact CG-CD2 4.12Å; W333-Y355 HydrophobicContact CG-CE2 4.11Å; W333-Y355 HydrophobicContact CZ2-CD2 4.42Å; W333-Y355 HydrophobicContact CZ2-CE2 4.32Å; W333-Y355 AromaticContact NE1-CD2 3.45Å; W333-Y355 AromaticContact NE1-CE2 3.95Å; W333-L370 PolarHBondContact N-O 2.94Å; W333-A371 HydrophobicContact CZ2-CB 3.93Å; W333-A371 WeakPolarHBondContact O-CA 3.16Å; W333-L372 PolarHBondContact O-N 2.97Å; W333-F391 HydrophobicContact CZ2-CZ 4.17Å
334	Y	98.7	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	156.7	172.7	74.4	-91.2	0	0	0	111.3	L268 H271 V280 G281 L283 A299 P301 L372	L268-Y334 HydrophobicContact CB-CE2 4.42Å; L268-Y334 HydrophobicContact CD1-CD1 3.8Å; L268-Y334 HydrophobicContact CD1-CD2 3.78Å; L268-Y334 HydrophobicContact CD1-CE1 4.36Å; L268-Y334 HydrophobicContact CD1-CE2 4.34Å; L268-Y334 HydrophobicContact CD1-CG 3.44Å; L268-Y334 VanDerWaalsContact CD1-CG 3.44Å; L268-Y334 HydrophobicContact CD2-CD2 3.98Å; L268-Y334 HydrophobicContact CD2-CE2 4.27Å; L268-Y334 HydrophobicContact CD2-CG 4.49Å; L268-Y334 HydrophobicContact CG-CD1 4.08Å; L268-Y334 HydrophobicContact CG-CD2 3.45Å; L268-Y334 VanDerWaalsContact CG-CD2 3.45Å; L268-Y334 HydrophobicContact CG-CE1 4.22Å; L268-Y334 HydrophobicContact CG-CE2 3.61Å; L268-Y334 HydrophobicContact CG-CG 3.67Å; H271-Y334 AromaticContact ND1-CE2 3.7Å; H271-Y334 AromaticContact ND1-CZ 3.64Å; H271-Y334 PolarHBondContact ND1-OH 2.87Å; V280-Y334 CarbonylContact C-O 3.57Å; V280-Y334 WeakPolarHBondContact CA-O 3.4Å; G281-Y334 PolarHBondContact N-O 3.04Å; G281-Y334 WeakPolarHBondContact O-CD1 3.19Å; G281-Y334 PolarHBondContact O-N 3.23Å; L283-Y334 HydrophobicContact CD2-CD1 3.89Å; L283-Y334 HydrophobicContact CG-CD1 4.47Å; A299-Y334 HydrophobicContact CB-CE1 4.21Å; P301-Y334 WeakPolarHBondContact CA-OH 3.24Å; P301-Y334 WeakPolarHBondContact CG-OH 3.27Å; Y334-L372 CarbonylContact C-O 3.56Å; Y334-L372 WeakPolarHBondContact CA-O 3.32Å; Y334-L372 VanDerWaalsContact CB-O 3.3Å; Y334-L372 WeakPolarHBondContact CB-O 3.43Å
335	H	97.8	Very high	96.3	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	169.3	161.7	74.1	-124.7	0	0	0	112.8	V279 V280 W333 H337 D348 L372 L373 C374	V279-H335 CarbonylContact O-C 3.55Å; V279-H335 WeakPolarHBondContact O-CA 2.9Å; V279-H335 WeakPolarHBondContact O-CB 3.18Å; V280-H335 HydrophobicContact CB-CB 4.45Å; V280-H335 HydrophobicContact CG1-CB 3.85Å; W333-H335 AromaticContact CH2-CE1 3.82Å; W333-H335 AromaticContact CH2-ND1 3.42Å; W333-H335 WeakPolarHBondContact CH2-ND1 3.24Å; W333-H335 HydrophobicContact CZ3-CB 4.34Å; W333-H335 AromaticContact CZ3-CE1 3.86Å; W333-H335 AromaticContact CZ3-ND1 3.01Å; W333-H335 WeakPolarHBondContact CZ3-ND1 3.39Å; H335-H337 AromaticContact CD2-CD2 3.56Å; H335-H337 AromaticContact CD2-NE2 3.72Å; H335-H337 AromaticContact CE1-NE2 3.97Å; H335-H337 AromaticContact NE2-CD2 3.26Å; H335-H337 PolarHBondContact NE2-CD2 2.82Å; H335-H337 VanDerWaalsContact NE2-CD2 3.26Å; H335-H337 AromaticContact NE2-CE1 3.86Å; H335-H337 AromaticContact NE2-NE2 2.9Å; H335-H337 PolarHBondContact NE2-NE2 2.87Å; H335-D348 IonicContact CE1-OD1 2.72Å; H335-D348 PolarHBondContact CE1-OD1 2.85Å; H335-D348 VanDerWaalsContact CE1-OD1 3.24Å; H335-D348 IonicContact CE1-OD2 3.04Å; H335-D348 PolarHBondContact CE1-OD2 3.1Å; H335-D348 IonicContact NE2-OD1 2.98Å; H335-D348 IonicContact NE2-OD2 3.16Å; H335-L372 PolarHBondContact N-O 2.87Å; H335-L373 VanDerWaalsContact CD2-CD2 3.48Å; H335-L373 WeakPolarHBondContact CD2-CD2 3.34Å; H335-L373 VanDerWaalsContact CE1-CD2 3.42Å; H335-L373 WeakPolarHBondContact CE1-CD2 3.33Å; H335-L373 WeakPolarHBondContact NE2-CD2 3.42Å; H335-L373 WeakPolarHBondContact O-CA 3.42Å; H335-C374 PolarHBondContact O-N 2.87Å
336	S	98	Very high	96.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.3	176.6	62	0	0	0	0	113.1	E278 V279 P338 C374	E278-S336 WeakPolarHBondContact CA-OG 3.47Å; E278-S336 VanDerWaalsContact CG-O 3.28Å; E278-S336 WeakPolarHBondContact CG-O 3.37Å; V279-S336 PolarHBondContact N-OG 3.02Å; V279-S336 PolarHBondContact O-N 3.45Å; S336-P338 WeakPolarHBondContact O-CD 3.48Å; S336-C374 CarbonylContact C-O 3.56Å; S336-C374 WeakPolarHBondContact CA-O 3.46Å
337	H	97.1	Very high	96.7	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.028	12%	0.123	C	C	.	.			trans	-109.8	85.1	157.9	-77.4	178	0	0	0	108.4	E278 H335 H339 S340 P341 V343 D348 C374 S375	E278-H337 IonicContact OE1-CD2 2.72Å; E278-H337 PolarHBondContact OE1-CD2 2.75Å; H335-H337 AromaticContact CD2-CD2 3.56Å; H335-H337 AromaticContact CD2-NE2 3.72Å; H335-H337 AromaticContact CE1-NE2 3.97Å; H335-H337 AromaticContact NE2-CD2 3.26Å; H335-H337 PolarHBondContact NE2-CD2 2.82Å; H335-H337 VanDerWaalsContact NE2-CD2 3.26Å; H335-H337 AromaticContact NE2-CE1 3.86Å; H335-H337 AromaticContact NE2-NE2 2.9Å; H335-H337 PolarHBondContact NE2-NE2 2.87Å; H337-H339 VanDerWaalsContact C-N 3.27Å; H337-H339 PolarHBondContact O-N 2.92Å; H337-H339 VanDerWaalsContact O-N 3.12Å; H337-S340 PolarHBondContact O-N 3.43Å; H337-P341 PolarHBondContact ND1-O 2.61Å; H337-V343 PolarHBondContact CE1-O 2.89Å; H337-V343 PolarHBondContact ND1-O 3.44Å; H337-D348 IonicContact CE1-OD2 3.31Å; H337-D348 IonicContact NE2-OD2 3.96Å; H337-D348 PolarHBondContact NE2-OD2 2.84Å; H337-C374 PolarHBondContact N-O 3.23Å; H337-S375 WeakPolarHBondContact O-CA 3.43Å; H337-S375 PolarHBondContact O-OG 3.18Å
338	P	96.2	Very high	96.9	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.039	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-38.4	-166.9	-27.4	35.8	0	0	0	114	S336 Y377 Y378	S336-P338 WeakPolarHBondContact O-CD 3.48Å; P338-Y377 HydrophobicContact CB-CD2 4.33Å; P338-Y377 CarbonylContact O-C 3.48Å; P338-Y377 VanDerWaalsContact O-C 3.27Å; P338-Y377 WeakPolarHBondContact O-CA 3.31Å; P338-Y377 WeakPolarHBondContact O-CB 3.31Å; P338-Y377 PolarHBondContact O-N 2.92Å; P338-Y378 PolarHBondContact O-N 3Å
339	H	95	Very high	97	Very high	101 Å²	101	21.1 Å²	21.1	47%	0.468	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	5.5	-176.7	-57.3	-100.2	0	0	0	114.4	W276 H337 Y378	W276-H339 AromaticContact CE3-CE1 3.32Å; W276-H339 AromaticContact CE3-NE2 3.02Å; W276-H339 AromaticContact CZ3-CE1 3.19Å; W276-H339 WeakPolarHBondContact CZ3-CE1 3.48Å; W276-H339 AromaticContact CZ3-NE2 3.42Å; W276-H339 WeakPolarHBondContact CZ3-NE2 3.43Å; H337-H339 VanDerWaalsContact C-N 3.27Å; H337-H339 PolarHBondContact O-N 2.92Å; H337-H339 VanDerWaalsContact O-N 3.12Å; H339-Y378 VanDerWaalsContact O-CD2 3.31Å; H339-Y378 WeakPolarHBondContact O-CD2 3.19Å
340	S	95.7	Very high	97	Very high	34 Å²	34	21 Å²	21	24%	0.238	11%	0.109	C	C	.	.	S	Bend	trans	-116.4	156.8	-176.3	-63.1	0	0	0	0	109.7	H337 S375	H337-S340 PolarHBondContact O-N 3.43Å; S340-S375 VanDerWaalsContact O-CB 3.32Å; S340-S375 WeakPolarHBondContact O-CB 3Å; S340-S375 PolarHBondContact O-OG 2.98Å
341	P	96.4	Very high	97.1	Very high	13 Å²	13	19.2 Å²	19.2	8%	0.084	10%	0.103	C	C	.	.			trans	-53	145.9	174.8	-18.8	24.9	0	0	0	112.1	P223 L241 H337 V343 Y378	P223-P341 HydrophobicContact CG-CB 4.37Å; P223-P341 HydrophobicContact CG-CG 4.04Å; L241-P341 HydrophobicContact CD1-CG 4.28Å; H337-P341 PolarHBondContact ND1-O 2.61Å; P341-V343 HydrophobicContact CB-CG1 4.42Å; P341-V343 HydrophobicContact CB-CG2 4.11Å; P341-V343 PolarHBondContact O-N 3.13Å; P341-Y378 HydrophobicContact CB-CD1 4.38Å; P341-Y378 HydrophobicContact CB-CE1 4.06Å; P341-Y378 HydrophobicContact CG-CD1 4.39Å; P341-Y378 HydrophobicContact CG-CE1 3.8Å; P341-Y378 HydrophobicContact CG-CE2 3.98Å
342	A	96.7	Very high	97.1	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	10%	0.103	C	C	.	.	S	Bend	trans	-73.4	64.7	172.5	0	0	0	0	0	111	L373 K387 C389	A342-L373 HydrophobicContact CB-CB 4.35Å; A342-K387 HydrophobicContact CB-CB 4.27Å; A342-K387 HydrophobicContact CB-CD 4.42Å; A342-K387 HydrophobicContact CB-CG 4.12Å; A342-C389 HydrophobicContact CB-CB 3.99Å; A342-C389 WeakPolarHBondContact O-CB 3.23Å; A342-C389 PolarHBondContact O-SG 2.63Å; A342-C389 VanDerWaalsContact O-SG 3.37Å
343	V	97.4	Very high	96.9	Very high	21 Å²	21	20.5 Å²	20.5	13%	0.127	11%	0.109	C	C	.	.	S	Bend	trans	-136	148.9	175.3	-56.7	0	0	0	0	108.6	P223 L241 H337 P341	P223-V343 HydrophobicContact CB-CG2 3.97Å; P223-V343 HydrophobicContact CG-CG2 3.69Å; L241-V343 HydrophobicContact CB-CG2 3.99Å; L241-V343 HydrophobicContact CD1-CG2 4.4Å; H337-V343 PolarHBondContact CE1-O 2.89Å; H337-V343 PolarHBondContact ND1-O 3.44Å; P341-V343 HydrophobicContact CB-CG1 4.42Å; P341-V343 HydrophobicContact CB-CG2 4.11Å; P341-V343 PolarHBondContact O-N 3.13Å
344	P	97.9	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.			trans	-71.7	145.3	-170.8	27.8	-34.5	0	0	0	112.7	V242 V244 D348 I349 L373 F391 P407	V242-P344 PolarHBondContact N-O 2.75Å; V242-P344 WeakPolarHBondContact O-CD 3.47Å; V244-P344 HydrophobicContact CG1-CG 4.11Å; P344-D348 WeakPolarHBondContact CA-OD2 3.35Å; P344-D348 HydrophobicContact CB-CB 3.88Å; P344-I349 HydrophobicContact CB-CG1 4.16Å; P344-I349 HydrophobicContact CG-CG1 4.38Å; P344-L373 HydrophobicContact CB-CD1 4.01Å; P344-L373 VanDerWaalsContact N-CD1 3.3Å; P344-F391 HydrophobicContact CB-CD1 4.41Å; P344-F391 HydrophobicContact CB-CD2 4.23Å; P344-F391 HydrophobicContact CB-CE1 4.11Å; P344-F391 HydrophobicContact CB-CE2 3.92Å; P344-F391 HydrophobicContact CB-CG 4.48Å; P344-F391 HydrophobicContact CB-CZ 3.86Å; P344-F391 HydrophobicContact CG-CD2 4.21Å; P344-F391 HydrophobicContact CG-CE2 4.37Å; P344-F391 HydrophobicContact CG-CG 4.35Å; P344-P407 HydrophobicContact CG-CB 3.6Å; P344-P407 HydrophobicContact CG-CG 4.26Å
345	S	97.4	Very high	96.6	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-80.3	168.1	163.8	81	0	0	0	0	111.8	T240 Q347 D348 I349	T240-S345 CarbonylContact O-C 3.15Å; T240-S345 VanDerWaalsContact O-CA 3.32Å; T240-S345 WeakPolarHBondContact O-CA 2.97Å; S345-Q347 PolarHBondContact O-N 2.92Å; S345-Q347 WeakPolarHBondContact OG-CB 3.14Å; S345-Q347 PolarHBondContact OG-N 2.81Å; S345-D348 PolarHBondContact N-OD2 3.06Å; S345-D348 WeakPolarHBondContact O-CB 3.06Å; S345-D348 PolarHBondContact O-N 2.86Å; S345-D348 VanDerWaalsContact O-N 3.09Å; S345-D348 PolarHBondContact OG-N 2.8Å; S345-D348 VanDerWaalsContact OG-N 3.15Å; S345-D348 PolarHBondContact OG-OD1 2.79Å; S345-D348 PolarHBondContact OG-OD2 3.17Å; S345-I349 WeakPolarHBondContact O-CG1 3.34Å; S345-I349 PolarHBondContact O-N 3.28Å
346	L	96.4	Very high	96.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-36.1	171.5	-67.4	176.1	0	0	0	112	L229 R236 P238 T240 V242 D348 I349 D350 Y404	L229-L346 HydrophobicContact CD1-CD2 3.89Å; L229-L346 HydrophobicContact CD2-CD2 4.1Å; R236-L346 HydrophobicContact CB-CD1 4.14Å; P238-L346 WeakPolarHBondContact O-CB 3.41Å; P238-L346 PolarHBondContact O-N 2.96Å; T240-L346 PolarHBondContact O-N 3.48Å; V242-L346 HydrophobicContact CG2-CD2 3.78Å; V242-L346 HydrophobicContact CG2-CG 4.25Å; L346-D348 VanDerWaalsContact C-N 3.32Å; L346-I349 HydrophobicContact CD2-CD1 4.39Å; L346-I349 PolarHBondContact O-N 3.25Å; L346-D350 PolarHBondContact O-N 3.13Å; L346-D350 VanDerWaalsContact O-N 3.11Å; L346-Y404 HydrophobicContact CB-CE1 4.34Å; L346-Y404 HydrophobicContact CD1-CE2 4.44Å; L346-Y404 HydrophobicContact CD2-CD1 3.97Å; L346-Y404 HydrophobicContact CD2-CD2 4.12Å; L346-Y404 HydrophobicContact CD2-CE1 4.01Å; L346-Y404 HydrophobicContact CD2-CE2 4.13Å; L346-Y404 HydrophobicContact CD2-CG 4.04Å
347	Q	96	Very high	96.1	Very high	97 Å²	97	32.5 Å²	32.5	45%	0.453	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-40.5	173.7	-176.2	175.9	-9.7	0	0	111.7	P238 H239 S345 D350 A351	P238-Q347 HydrophobicContact CB-CB 4.18Å; P238-Q347 PolarHBondContact O-N 2.96Å; H239-Q347 PolarHBondContact CE1-OE1 2.86Å; S345-Q347 PolarHBondContact O-N 2.92Å; S345-Q347 WeakPolarHBondContact OG-CB 3.14Å; S345-Q347 PolarHBondContact OG-N 2.81Å; Q347-D350 PolarHBondContact O-N 3.43Å; Q347-A351 WeakPolarHBondContact O-CB 3.47Å; Q347-A351 PolarHBondContact O-N 2.97Å
348	D	97.9	Very high	95.8	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.059	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-38.8	-179.3	-50.9	-12.9	0	0	0	111	W333 H335 H337 P344 S345 L346 D350 A351 Q352 F391	W333-D348 HydrophobicContact CH2-CB 4.44Å; H335-D348 IonicContact CE1-OD1 2.72Å; H335-D348 PolarHBondContact CE1-OD1 2.85Å; H335-D348 VanDerWaalsContact CE1-OD1 3.24Å; H335-D348 IonicContact CE1-OD2 3.04Å; H335-D348 PolarHBondContact CE1-OD2 3.1Å; H335-D348 IonicContact NE2-OD1 2.98Å; H335-D348 IonicContact NE2-OD2 3.16Å; H337-D348 IonicContact CE1-OD2 3.31Å; H337-D348 IonicContact NE2-OD2 3.96Å; H337-D348 PolarHBondContact NE2-OD2 2.84Å; P344-D348 WeakPolarHBondContact CA-OD2 3.35Å; P344-D348 HydrophobicContact CB-CB 3.88Å; S345-D348 PolarHBondContact N-OD2 3.06Å; S345-D348 WeakPolarHBondContact O-CB 3.06Å; S345-D348 PolarHBondContact O-N 2.86Å; S345-D348 VanDerWaalsContact O-N 3.09Å; S345-D348 PolarHBondContact OG-N 2.8Å; S345-D348 VanDerWaalsContact OG-N 3.15Å; S345-D348 PolarHBondContact OG-OD1 2.79Å; S345-D348 PolarHBondContact OG-OD2 3.17Å; L346-D348 VanDerWaalsContact C-N 3.32Å; D348-D350 VanDerWaalsContact C-N 3.35Å; D348-A351 PolarHBondContact O-N 2.89Å; D348-Q352 WeakPolarHBondContact O-CB 3.11Å; D348-Q352 PolarHBondContact O-N 3.14Å; D348-F391 HydrophobicContact CB-CZ 4.05Å
349	I	97.6	Very high	95.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-46.4	175.5	-68.4	167.4	0	0	0	110.2	V242 P344 S345 L346 M353 V393 G405 P407	V242-I349 HydrophobicContact CB-CD1 3.94Å; V242-I349 HydrophobicContact CG1-CD1 4.25Å; V242-I349 HydrophobicContact CG2-CD1 3.83Å; P344-I349 HydrophobicContact CB-CG1 4.16Å; P344-I349 HydrophobicContact CG-CG1 4.38Å; S345-I349 WeakPolarHBondContact O-CG1 3.34Å; S345-I349 PolarHBondContact O-N 3.28Å; L346-I349 HydrophobicContact CD2-CD1 4.39Å; L346-I349 PolarHBondContact O-N 3.25Å; I349-M353 WeakPolarHBondContact O-CG 3.35Å; I349-M353 PolarHBondContact O-N 2.86Å; I349-V393 HydrophobicContact CG2-CG1 3.98Å; I349-V393 HydrophobicContact CG2-CG2 4.21Å; I349-G405 WeakPolarHBondContact CG2-O 3.38Å; I349-P407 HydrophobicContact CD1-CB 4.23Å; I349-P407 HydrophobicContact CD1-CG 3.87Å; I349-P407 HydrophobicContact CG1-CB 4.17Å; I349-P407 HydrophobicContact CG1-CG 4.36Å
350	D	95.9	Very high	94.7	Very high	55 Å²	55	38 Å²	38	29%	0.294	19%	0.186	S	C	.	.	H	α-helix	trans	-66.1	-45.2	178.9	-75.5	-18.1	0	0	0	111.9	R232 L346 Q347 D348 Q352 M353 E354	R232-D350 IonicContact CZ-OD1 2.68Å; R232-D350 VanDerWaalsContact CZ-OD1 3.31Å; R232-D350 IonicContact CZ-OD2 3.83Å; R232-D350 IonicContact NH1-OD1 3.04Å; R232-D350 PolarHBondContact NH1-OD1 3.07Å; R232-D350 IonicContact NH1-OD2 3.31Å; R232-D350 IonicContact NH2-OD1 3.22Å; R232-D350 PolarHBondContact NH2-OD1 3.46Å; R232-D350 IonicContact NH2-OD2 3.71Å; R232-D350 PolarHBondContact NH2-OD2 3.1Å; L346-D350 PolarHBondContact O-N 3.13Å; L346-D350 VanDerWaalsContact O-N 3.11Å; Q347-D350 PolarHBondContact O-N 3.43Å; D348-D350 VanDerWaalsContact C-N 3.35Å; D350-Q352 PolarHBondContact O-N 2.73Å; D350-M353 PolarHBondContact O-N 2.98Å; D350-E354 PolarHBondContact O-N 3.47Å
351	A	96.8	Very high	93.2	Very high	22 Å²	22	38.9 Å²	38.9	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-45.6	177	0	0	0	0	0	111.5	Q347 D348 M353 E354 Y355	Q347-A351 WeakPolarHBondContact O-CB 3.47Å; Q347-A351 PolarHBondContact O-N 2.97Å; D348-A351 PolarHBondContact O-N 2.89Å; A351-M353 VanDerWaalsContact C-N 3.35Å; A351-M353 PolarHBondContact O-N 2.76Å; A351-E354 WeakPolarHBondContact O-CB 3.44Å; A351-E354 PolarHBondContact O-N 2.99Å; A351-Y355 HydrophobicContact CB-CD2 4.48Å; A351-Y355 HydrophobicContact CB-CE2 4.03Å; A351-Y355 WeakPolarHBondContact O-CD2 3.28Å; A351-Y355 PolarHBondContact O-N 2.83Å
352	Q	97.6	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.3	-39.2	178.4	175.6	58.1	8.4	0	0	112.1	W333 D348 D350 Y355 Q356 C369 A371 F391 V393	W333-Q352 HydrophobicContact CZ2-CB 4.31Å; D348-Q352 WeakPolarHBondContact O-CB 3.11Å; D348-Q352 PolarHBondContact O-N 3.14Å; D350-Q352 PolarHBondContact O-N 2.73Å; Q352-Y355 PolarHBondContact O-N 2.8Å; Q352-Q356 WeakPolarHBondContact O-CB 3.44Å; Q352-Q356 VanDerWaalsContact O-CG 3.27Å; Q352-Q356 WeakPolarHBondContact O-CG 3.16Å; Q352-Q356 PolarHBondContact O-N 2.82Å; Q352-C369 PolarHBondContact NE2-O 3.42Å; Q352-A371 HydrophobicContact CG-CB 4.38Å; Q352-F391 HydrophobicContact CB-CE2 3.75Å; Q352-F391 HydrophobicContact CB-CZ 4.1Å; Q352-F391 HydrophobicContact CG-CD2 4.38Å; Q352-F391 HydrophobicContact CG-CE2 3.79Å; Q352-F391 HydrophobicContact CG-CZ 4.39Å; Q352-V393 HydrophobicContact CB-CG2 3.85Å; Q352-V393 HydrophobicContact CG-CB 4.15Å; Q352-V393 HydrophobicContact CG-CG2 3.56Å
353	M	94.6	Very high	89.2	Confident	30 Å²	30	48.3 Å²	48.3	15%	0.148	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-43.9	172.4	-81.1	-57.2	-49.8	0	0	112.2	I349 D350 A351 Q356 L357 V393 P395	I349-M353 WeakPolarHBondContact O-CG 3.35Å; I349-M353 PolarHBondContact O-N 2.86Å; D350-M353 PolarHBondContact O-N 2.98Å; A351-M353 VanDerWaalsContact C-N 3.35Å; A351-M353 PolarHBondContact O-N 2.76Å; M353-Q356 PolarHBondContact O-N 2.89Å; M353-L357 WeakPolarHBondContact O-CG 3.42Å; M353-L357 PolarHBondContact O-N 3.43Å; M353-V393 HydrophobicContact CG-CB 3.93Å; M353-V393 HydrophobicContact CG-CG1 3.5Å; M353-V393 HydrophobicContact SD-CB 3.68Å; M353-V393 HydrophobicContact SD-CG1 3.4Å; M353-V393 WeakPolarHBondContact SD-CG1 3.48Å; M353-P395 HydrophobicContact CE-CB 4.42Å; M353-P395 HydrophobicContact CE-CG 4.22Å
354	E	94.9	Very high	87.2	Confident	100 Å²	100	55.9 Å²	55.9	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-62.6	-43.9	176.7	-165	-167.2	171.5	0	0	111.6	D350 A351 L357 R358	D350-E354 PolarHBondContact O-N 3.47Å; A351-E354 WeakPolarHBondContact O-CB 3.44Å; A351-E354 PolarHBondContact O-N 2.99Å; E354-L357 PolarHBondContact O-N 3.5Å; E354-R358 WeakPolarHBondContact O-CB 3.45Å; E354-R358 WeakPolarHBondContact O-CG 3.46Å; E354-R358 PolarHBondContact O-N 2.96Å; E354-R358 IonicContact OE1-CZ 3.85Å; E354-R358 IonicContact OE1-NE 3.11Å; E354-R358 IonicContact OE1-NH1 3.58Å; E354-R358 PolarHBondContact OE1-NH1 3.13Å; E354-R358 IonicContact OE1-NH2 2.99Å; E354-R358 PolarHBondContact OE1-NH2 3.49Å; E354-R358 IonicContact OE2-CZ 2.74Å; E354-R358 IonicContact OE2-NH1 3.97Å; E354-R358 IonicContact OE2-NH2 2.89Å; E354-R358 PolarHBondContact OE2-NH2 3.47Å
355	Y	95.4	Very high	85.8	Confident	64 Å²	64	57.3 Å²	57.3	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-42.6	177.3	-65.1	-47.8	0	0	0	112.6	W333 A351 Q352 L357 R358 L359	W333-Y355 AromaticContact CD1-CD2 3.65Å; W333-Y355 HydrophobicContact CD2-CD2 4.18Å; W333-Y355 AromaticContact CD2-CE2 3.91Å; W333-Y355 HydrophobicContact CD2-CE2 3.91Å; W333-Y355 AromaticContact CE2-CD2 3.81Å; W333-Y355 AromaticContact CE2-CE2 3.84Å; W333-Y355 HydrophobicContact CE3-CE2 4.39Å; W333-Y355 HydrophobicContact CG-CD2 4.12Å; W333-Y355 HydrophobicContact CG-CE2 4.11Å; W333-Y355 HydrophobicContact CZ2-CD2 4.42Å; W333-Y355 HydrophobicContact CZ2-CE2 4.32Å; W333-Y355 AromaticContact NE1-CD2 3.45Å; W333-Y355 AromaticContact NE1-CE2 3.95Å; A351-Y355 HydrophobicContact CB-CD2 4.48Å; A351-Y355 HydrophobicContact CB-CE2 4.03Å; A351-Y355 WeakPolarHBondContact O-CD2 3.28Å; A351-Y355 PolarHBondContact O-N 2.83Å; Q352-Y355 PolarHBondContact O-N 2.8Å; Y355-L357 VanDerWaalsContact C-N 3.32Å; Y355-L357 PolarHBondContact O-N 2.81Å; Y355-R358 PolarHBondContact O-N 3.49Å; Y355-L359 WeakPolarHBondContact O-CB 3.25Å; Y355-L359 PolarHBondContact O-N 2.71Å
356	Q	94.2	Very high	85	Confident	7 Å²	7	60 Å²	60	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-44.5	174.4	-77.5	172.6	-166.2	0	0	111.7	Q352 M353 Q360 C369 V393	Q352-Q356 WeakPolarHBondContact O-CB 3.44Å; Q352-Q356 VanDerWaalsContact O-CG 3.27Å; Q352-Q356 WeakPolarHBondContact O-CG 3.16Å; Q352-Q356 PolarHBondContact O-N 2.82Å; M353-Q356 PolarHBondContact O-N 2.89Å; Q356-Q360 VanDerWaalsContact O-CG 3.3Å; Q356-Q360 WeakPolarHBondContact O-CG 3.25Å; Q356-Q360 PolarHBondContact O-N 3.17Å; Q356-C369 HydrophobicContact CG-CB 3.84Å; Q356-V393 PolarHBondContact NE2-O 3.04Å
357	L	91.4	Very high	84.5	Confident	107 Å²	107	62.7 Å²	62.7	56%	0.56	35%	0.346	S	S	*	.	H	α-helix	trans	-67.6	-42	177.7	-70.2	170.7	0	0	0	112.1	M353 E354 Y355 L359	M353-L357 WeakPolarHBondContact O-CG 3.42Å; M353-L357 PolarHBondContact O-N 3.43Å; E354-L357 PolarHBondContact O-N 3.5Å; Y355-L357 VanDerWaalsContact C-N 3.32Å; Y355-L357 PolarHBondContact O-N 2.81Å; L357-L359 PolarHBondContact O-N 3.03Å
358	R	89.9	Confident	84.3	Confident	131 Å²	131	58.1 Å²	58.1	49%	0.494	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-42.2	178.1	-78.6	-171.5	-74.6	-145	-12.2	112.3	E354 Y355 G361	E354-R358 WeakPolarHBondContact O-CB 3.45Å; E354-R358 WeakPolarHBondContact O-CG 3.46Å; E354-R358 PolarHBondContact O-N 2.96Å; E354-R358 IonicContact OE1-CZ 3.85Å; E354-R358 IonicContact OE1-NE 3.11Å; E354-R358 IonicContact OE1-NH1 3.58Å; E354-R358 PolarHBondContact OE1-NH1 3.13Å; E354-R358 IonicContact OE1-NH2 2.99Å; E354-R358 PolarHBondContact OE1-NH2 3.49Å; E354-R358 IonicContact OE2-CZ 2.74Å; E354-R358 IonicContact OE2-NH1 3.97Å; E354-R358 IonicContact OE2-NH2 2.89Å; E354-R358 PolarHBondContact OE2-NH2 3.47Å; Y355-R358 PolarHBondContact O-N 3.49Å; R358-G361 PolarHBondContact O-N 3.12Å
359	L	86.8	Confident	84.2	Confident	28 Å²	28	57.7 Å²	57.7	15%	0.147	32%	0.322	C	S	.	.	H	α-helix	trans	-75.1	-26.1	-177.1	-78.3	164.3	0	0	0	113.4	L330 Y355 L357 G361 Q367 C369	L330-L359 HydrophobicContact CB-CD2 4.28Å; L330-L359 HydrophobicContact CD2-CD2 4.23Å; L330-L359 HydrophobicContact CG-CD2 4.24Å; Y355-L359 WeakPolarHBondContact O-CB 3.25Å; Y355-L359 PolarHBondContact O-N 2.71Å; L357-L359 PolarHBondContact O-N 3.03Å; L359-G361 PolarHBondContact O-N 3.26Å; L359-Q367 HydrophobicContact CB-CG 4.41Å; L359-Q367 WeakPolarHBondContact O-CB 3.41Å; L359-Q367 PolarHBondContact O-OE1 2.94Å; L359-C369 HydrophobicContact CD1-CB 3.53Å; L359-C369 VanDerWaalsContact CD1-SG 3.54Å
360	Q	81.3	Confident	84.3	Confident	69 Å²	69	57.7 Å²	57.7	32%	0.322	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-28.5	171.1	-76.4	172.9	2.6	0	0	112.6	Q356	Q356-Q360 VanDerWaalsContact O-CG 3.3Å; Q356-Q360 WeakPolarHBondContact O-CG 3.25Å; Q356-Q360 PolarHBondContact O-N 3.17Å
361	G	64.9	Low	84.4	Confident	53 Å²	53	55 Å²	55	55%	0.546	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-157.8	175.1	0	0	0	0	0	113.9	R358 L359	R358-G361 PolarHBondContact O-N 3.12Å; L359-G361 PolarHBondContact O-N 3.26Å
362	S	55.6	Low	84.5	Confident	132 Å²	132	54 Å²	54	92%	0.923	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	1.7	178.4	-46.1	0	0	0	0	113.7
363	S	52.7	Low	84.5	Confident	81 Å²	81	54.1 Å²	54.1	57%	0.566	30%	0.3	S	S	*	.	S	Bend	trans	-88.1	137.9	174.4	42.5	0	0	0	0	109.3	G365	S363-G365 PolarHBondContact O-N 3.35Å
364	N	56.8	Low	84.7	Confident	180 Å²	180	52.7 Å²	52.7	96%	0.963	29%	0.293	S	S	*	.	S	Bend	trans	-65.2	17.9	173.7	-67.7	5	0	0	0	113.9
365	G	68.1	Low	84.8	Confident	30 Å²	30	47.9 Å²	47.9	31%	0.309	27%	0.271	S	S	.	.	S	Bend	trans	-94	136.2	179	0	0	0	0	0	110.6	S363 Q367	S363-G365 PolarHBondContact O-N 3.35Å; G365-Q367 PolarHBondContact O-N 2.96Å
366	F	80	Confident	84.9	Confident	62 Å²	62	45 Å²	45	27%	0.272	26%	0.259	S	S	.	.			trans	-69.3	125.6	167.6	178.3	-101.6	0	0	0	109.4	F256 W287 P368	F256-F366 HydrophobicContact CB-CE1 4.37Å; F256-F366 AromaticContact CD1-CE1 3.51Å; F256-F366 HydrophobicContact CD1-CE1 3.51Å; F256-F366 AromaticContact CD1-CZ 3.46Å; F256-F366 HydrophobicContact CD1-CZ 3.46Å; F256-F366 VanDerWaalsContact CD1-CZ 3.46Å; F256-F366 HydrophobicContact CE1-CE1 4.14Å; F256-F366 AromaticContact CE1-CZ 3.7Å; F256-F366 HydrophobicContact CE1-CZ 3.7Å; F256-F366 HydrophobicContact CG-CE1 4.21Å; W287-F366 HydrophobicContact CH2-CD1 4.06Å; W287-F366 HydrophobicContact CH2-CE1 4.09Å; W287-F366 AromaticContact CZ2-CD1 3.65Å; W287-F366 HydrophobicContact CZ2-CD1 3.65Å; W287-F366 HydrophobicContact CZ2-CE1 4.14Å; W287-F366 PolarHBondContact NE1-O 3.35Å; F366-P368 HydrophobicContact CE1-CB 3.8Å; F366-P368 HydrophobicContact CE1-CG 4.28Å; F366-P368 HydrophobicContact CZ-CB 4.06Å
367	Q	87	Confident	85	Confident	58 Å²	58	45.4 Å²	45.4	27%	0.271	26%	0.261	S	S	.	.			trans	-122.1	116.6	168.5	179.9	166.9	-19.8	0	0	108.1	L330 L359 G365	L330-Q367 PolarHBondContact O-NE2 3.04Å; L359-Q367 HydrophobicContact CB-CG 4.41Å; L359-Q367 WeakPolarHBondContact O-CB 3.41Å; L359-Q367 PolarHBondContact O-OE1 2.94Å; G365-Q367 PolarHBondContact O-N 2.96Å
368	P	91.1	Very high	85.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.244	C	C	.	.			trans	-71.9	150.8	-178.3	30.4	-36.6	0	0	0	111.7	F256 W287 L294 F366	F256-P368 HydrophobicContact CD1-CB 3.81Å; F256-P368 HydrophobicContact CD2-CB 3.93Å; F256-P368 HydrophobicContact CD2-CG 4.5Å; F256-P368 HydrophobicContact CE1-CB 3.63Å; F256-P368 HydrophobicContact CE2-CB 3.75Å; F256-P368 HydrophobicContact CG-CB 3.96Å; F256-P368 HydrophobicContact CZ-CB 3.61Å; W287-P368 HydrophobicContact CD2-CG 3.72Å; W287-P368 HydrophobicContact CE3-CG 3.41Å; W287-P368 VanDerWaalsContact CE3-CG 3.41Å; W287-P368 HydrophobicContact CG-CG 4.24Å; W287-P368 HydrophobicContact CH2-CG 4.33Å; W287-P368 HydrophobicContact CZ3-CG 3.74Å; L294-P368 HydrophobicContact CB-CG 4.11Å; L294-P368 HydrophobicContact CD1-CG 3.64Å; L294-P368 HydrophobicContact CD2-CB 4.16Å; L294-P368 HydrophobicContact CD2-CG 4.09Å; L294-P368 HydrophobicContact CG-CG 4.15Å; F366-P368 HydrophobicContact CE1-CB 3.8Å; F366-P368 HydrophobicContact CE1-CG 4.28Å; F366-P368 HydrophobicContact CZ-CB 4.06Å
369	C	96.3	Very high	85.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	26%	0.257	C	S	.	.			trans	-128.2	117.9	170.5	180	0	0	0	0	107.8	V331 Q352 Q356 L359	V331-C369 CarbonylContact O-C 3.58Å; V331-C369 WeakPolarHBondContact O-CA 3.5Å; Q352-C369 PolarHBondContact NE2-O 3.42Å; Q356-C369 HydrophobicContact CG-CB 3.84Å; L359-C369 HydrophobicContact CD1-CB 3.53Å; L359-C369 VanDerWaalsContact CD1-SG 3.54Å
370	L	98	Very high	85.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.9	178.2	-173.6	68.9	0	0	0	110.7	V258 L294 V296 V331 G332 W333 L372 P390 V410	V258-L370 HydrophobicContact CG1-CD2 3.68Å; V258-L370 HydrophobicContact CG2-CD1 4.37Å; L294-L370 HydrophobicContact CD2-CB 3.92Å; V296-L370 HydrophobicContact CG2-CD2 4.07Å; V331-L370 PolarHBondContact O-N 3.48Å; G332-L370 CarbonylContact C-O 3.56Å; G332-L370 WeakPolarHBondContact CA-O 3.37Å; W333-L370 PolarHBondContact N-O 2.94Å; L370-L372 HydrophobicContact CD2-CD2 3.98Å; L370-L372 HydrophobicContact CD2-CG 4.39Å; L370-L372 HydrophobicContact CG-CD2 4.26Å; L370-P390 HydrophobicContact CD1-CB 4.07Å; L370-V410 HydrophobicContact CD1-CB 4.38Å; L370-V410 HydrophobicContact CD1-CG1 3.92Å; L370-V410 HydrophobicContact CD1-CG2 4.47Å
371	A	98.5	Very high	86.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.3	168.1	0	0	0	0	0	110	W333 Q352 P390 F391	W333-A371 HydrophobicContact CZ2-CB 3.93Å; W333-A371 WeakPolarHBondContact O-CA 3.16Å; Q352-A371 HydrophobicContact CG-CB 4.38Å; A371-P390 CarbonylContact O-C 3.53Å; A371-P390 VanDerWaalsContact O-CA 3.25Å; A371-P390 WeakPolarHBondContact O-CA 3.24Å; A371-F391 HydrophobicContact CB-CD1 3.61Å; A371-F391 HydrophobicContact CB-CD2 4.4Å; A371-F391 HydrophobicContact CB-CE1 3.2Å; A371-F391 HydrophobicContact CB-CE2 4.07Å; A371-F391 HydrophobicContact CB-CG 4.19Å; A371-F391 HydrophobicContact CB-CZ 3.46Å; A371-F391 VanDerWaalsContact CB-CZ 3.46Å; A371-F391 PolarHBondContact N-O 2.81Å; A371-F391 PolarHBondContact O-N 2.99Å
372	L	98.6	Very high	87.5	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.8	172.5	-61	179.8	0	0	0	110.5	L265 L268 L283 W333 Y334 H335 L370 I388 P390 M412	L265-L372 HydrophobicContact CD2-CD1 4.47Å; L268-L372 HydrophobicContact CD1-CB 4.22Å; L268-L372 HydrophobicContact CD1-CD1 3.74Å; L283-L372 HydrophobicContact CD1-CD1 3.7Å; L283-L372 HydrophobicContact CD1-CG 3.82Å; L283-L372 HydrophobicContact CD2-CD1 4.23Å; W333-L372 PolarHBondContact O-N 2.97Å; Y334-L372 CarbonylContact C-O 3.56Å; Y334-L372 WeakPolarHBondContact CA-O 3.32Å; Y334-L372 VanDerWaalsContact CB-O 3.3Å; Y334-L372 WeakPolarHBondContact CB-O 3.43Å; H335-L372 PolarHBondContact N-O 2.87Å; L370-L372 HydrophobicContact CD2-CD2 3.98Å; L370-L372 HydrophobicContact CD2-CG 4.39Å; L370-L372 HydrophobicContact CG-CD2 4.26Å; L372-I388 HydrophobicContact CB-CG2 4.28Å; L372-I388 HydrophobicContact CD2-CG2 4.32Å; L372-P390 HydrophobicContact CD2-CB 3.54Å; L372-M412 HydrophobicContact CD2-SD 4.44Å
373	L	98.6	Very high	89.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.7	173.5	-62.7	176.2	0	0	0	110	H335 A342 P344 I388 C389 F391	H335-L373 VanDerWaalsContact CD2-CD2 3.48Å; H335-L373 WeakPolarHBondContact CD2-CD2 3.34Å; H335-L373 VanDerWaalsContact CE1-CD2 3.42Å; H335-L373 WeakPolarHBondContact CE1-CD2 3.33Å; H335-L373 WeakPolarHBondContact NE2-CD2 3.42Å; H335-L373 WeakPolarHBondContact O-CA 3.42Å; A342-L373 HydrophobicContact CB-CB 4.35Å; P344-L373 HydrophobicContact CB-CD1 4.01Å; P344-L373 VanDerWaalsContact N-CD1 3.3Å; L373-I388 CarbonylContact O-C 3.56Å; L373-I388 VanDerWaalsContact O-CA 3.25Å; L373-I388 WeakPolarHBondContact O-CA 2.92Å; L373-C389 PolarHBondContact N-O 3.37Å; L373-C389 PolarHBondContact O-N 2.9Å; L373-F391 HydrophobicContact CD1-CD1 3.89Å; L373-F391 HydrophobicContact CD1-CE1 3.7Å; L373-F391 HydrophobicContact CD2-CE1 4.08Å; L373-F391 HydrophobicContact CG-CD1 3.97Å; L373-F391 HydrophobicContact CG-CE1 3.67Å
374	C	98.4	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.1	178.2	-174	0	0	0	0	111.2	L268 C272 H335 S336 H337 P376 K387 I388	L268-C374 HydrophobicContact CD2-CB 3.66Å; C272-C374 HydrophobicContact CB-CB 4.08Å; C272-C374 VanDerWaalsContact SG-CB 3.52Å; H335-C374 PolarHBondContact O-N 2.87Å; S336-C374 CarbonylContact C-O 3.56Å; S336-C374 WeakPolarHBondContact CA-O 3.46Å; H337-C374 PolarHBondContact N-O 3.23Å; C374-P376 WeakPolarHBondContact O-CD 3.31Å; C374-K387 CarbonylContact C-O 3.56Å; C374-K387 WeakPolarHBondContact CA-O 3.1Å; C374-I388 HydrophobicContact CB-CD1 4.31Å; C374-I388 HydrophobicContact CB-CG1 3.92Å
375	S	97.8	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	95.3	174.9	-176.3	0	0	0	0	110.5	H337 S340 Y378 N381 S386 K387	H337-S375 WeakPolarHBondContact O-CA 3.43Å; H337-S375 PolarHBondContact O-OG 3.18Å; S340-S375 VanDerWaalsContact O-CB 3.32Å; S340-S375 WeakPolarHBondContact O-CB 3Å; S340-S375 PolarHBondContact O-OG 2.98Å; S375-Y378 WeakPolarHBondContact OG-CB 3.32Å; S375-N381 PolarHBondContact O-ND2 2.86Å; S375-S386 WeakPolarHBondContact O-CA 3.43Å; S375-K387 PolarHBondContact N-O 3.05Å; S375-K387 PolarHBondContact O-N 2.79Å; S375-K387 VanDerWaalsContact O-N 3.1Å
376	P	97.3	Very high	94.3	Very high	2 Å²	2	31 Å²	31	1%	0.013	19%	0.189	C	C	.	.	S	Bend	trans	-77.2	-43.2	-178.1	27.4	-35.2	0	0	0	113.8	C272 C374 S386 K457	C272-P376 HydrophobicContact CB-CG 4.3Å; C272-P376 WeakPolarHBondContact O-CG 2.86Å; C374-P376 WeakPolarHBondContact O-CD 3.31Å; P376-S386 VanDerWaalsContact CA-OG 3.31Å; P376-S386 WeakPolarHBondContact CA-OG 3.41Å; P376-S386 WeakPolarHBondContact CB-OG 3.35Å; P376-K457 WeakPolarHBondContact O-CE 3.44Å; P376-K457 PolarHBondContact O-NZ 3.09Å
377	Y	96.9	Very high	95.1	Very high	17 Å²	17	33 Å²	33	7%	0.067	20%	0.198	C	C	.	.	S	Bend	trans	-114.8	12.4	-169	-50.4	-71.3	0	0	0	114.4	H273 W276 P338 S379 V442 Y454 K457	H273-Y377 WeakPolarHBondContact CA-OH 3.37Å; H273-Y377 WeakPolarHBondContact CB-OH 3.25Å; H273-Y377 AromaticContact CD2-CE1 3.77Å; H273-Y377 AromaticContact CD2-CZ 3.6Å; H273-Y377 PolarHBondContact CD2-OH 2.82Å; H273-Y377 VanDerWaalsContact CD2-OH 3.25Å; H273-Y377 PolarHBondContact O-OH 3.03Å; W276-Y377 HydrophobicContact CE3-CD2 4.2Å; W276-Y377 HydrophobicContact CE3-CE2 4.46Å; W276-Y377 AromaticContact CZ3-CD2 3.74Å; W276-Y377 HydrophobicContact CZ3-CD2 3.74Å; W276-Y377 HydrophobicContact CZ3-CE2 4.14Å; W276-Y377 AromaticContact CZ3-CG 3.99Å; W276-Y377 HydrophobicContact CZ3-CG 3.99Å; P338-Y377 HydrophobicContact CB-CD2 4.33Å; P338-Y377 CarbonylContact O-C 3.48Å; P338-Y377 VanDerWaalsContact O-C 3.27Å; P338-Y377 WeakPolarHBondContact O-CA 3.31Å; P338-Y377 WeakPolarHBondContact O-CB 3.31Å; P338-Y377 PolarHBondContact O-N 2.92Å; Y377-S379 PolarHBondContact O-N 3.21Å; Y377-V442 HydrophobicContact CE2-CG2 4.05Å; Y377-Y454 HydrophobicContact CD1-CD1 4.02Å; Y377-Y454 AromaticContact CD1-CE1 3.82Å; Y377-Y454 HydrophobicContact CD1-CE1 3.82Å; Y377-Y454 AromaticContact CE1-CD1 3.55Å; Y377-Y454 HydrophobicContact CE1-CD1 3.55Å; Y377-Y454 AromaticContact CE1-CE1 3.82Å; Y377-Y454 HydrophobicContact CE1-CE1 3.82Å; Y377-K457 HydrophobicContact CD1-CD 3.67Å; Y377-K457 VanDerWaalsContact CD1-CE 3.46Å; Y377-K457 HydrophobicContact CE1-CD 3.53Å
378	Y	95.9	Very high	95.6	Very high	51 Å²	51	31.3 Å²	31.3	20%	0.2	19%	0.19	C	C	.	.			trans	-64.6	124.6	175.1	178	-125	0	0	0	111.2	V220 P338 H339 P341 S375 G380 N381	V220-Y378 HydrophobicContact CG1-CE2 3.8Å; P338-Y378 PolarHBondContact O-N 3Å; H339-Y378 VanDerWaalsContact O-CD2 3.31Å; H339-Y378 WeakPolarHBondContact O-CD2 3.19Å; P341-Y378 HydrophobicContact CB-CD1 4.38Å; P341-Y378 HydrophobicContact CB-CE1 4.06Å; P341-Y378 HydrophobicContact CG-CD1 4.39Å; P341-Y378 HydrophobicContact CG-CE1 3.8Å; P341-Y378 HydrophobicContact CG-CE2 3.98Å; S375-Y378 WeakPolarHBondContact OG-CB 3.32Å; Y378-G380 PolarHBondContact O-N 2.88Å; Y378-N381 WeakPolarHBondContact O-CB 3.19Å; Y378-N381 PolarHBondContact O-N 2.9Å
379	S	92.9	Very high	95.9	Very high	110 Å²	110	32.2 Å²	32.2	77%	0.769	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.1	-177.3	55.7	0	0	0	0	114.1	Y377 N381	Y377-S379 PolarHBondContact O-N 3.21Å; S379-N381 VanDerWaalsContact C-N 3.32Å
380	G	92.8	Very high	96	Very high	49 Å²	49	32.6 Å²	32.6	51%	0.505	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	3	173.1	0	0	0	0	0	114.3	Y378	Y378-G380 PolarHBondContact O-N 2.88Å
381	N	93.9	Very high	96	Very high	20 Å²	20	32.7 Å²	32.7	11%	0.107	20%	0.2	C	C	.	.	S	Bend	trans	-66.5	144.7	170.5	-71.4	-10.2	0	0	0	110.2	S375 Y378 S379 G383	S375-N381 PolarHBondContact O-ND2 2.86Å; Y378-N381 WeakPolarHBondContact O-CB 3.19Å; Y378-N381 PolarHBondContact O-N 2.9Å; S379-N381 VanDerWaalsContact C-N 3.32Å; N381-G383 PolarHBondContact O-N 2.78Å
382	P	91.1	Very high	96	Very high	140 Å²	140	33.9 Å²	33.9	91%	0.909	20%	0.204	S	C	*	.	S	Bend	trans	-69.2	-18	-176.8	28.6	-35.6	0	0	0	113.4
383	G	91.4	Very high	95.9	Very high	22 Å²	22	33.8 Å²	33.8	23%	0.227	20%	0.204	C	C	.	.	S	Bend	trans	-157.5	-173.8	-174.5	0	0	0	0	0	112.6	N381 E385	N381-G383 PolarHBondContact O-N 2.78Å; G383-E385 PolarHBondContact O-N 3.41Å
384	P	91.8	Very high	95.7	Very high	31 Å²	31	35.4 Å²	35.4	20%	0.201	21%	0.212	C	C	.	.	S	Bend	trans	-66.5	-18.1	176	28	-35.7	0	0	0	113.8	W448 K457 I460	P384-W448 HydrophobicContact CB-CH2 3.67Å; P384-W448 HydrophobicContact CB-CZ3 3.83Å; P384-K457 HydrophobicContact CB-CG 4.16Å; P384-K457 WeakPolarHBondContact O-CE 3.36Å; P384-K457 WeakPolarHBondContact O-CG 3.48Å; P384-K457 PolarHBondContact O-NZ 3.19Å; P384-I460 HydrophobicContact CB-CB 4.32Å; P384-I460 HydrophobicContact CB-CD1 4.41Å; P384-I460 HydrophobicContact CB-CG2 4Å; P384-I460 HydrophobicContact CG-CB 4.25Å; P384-I460 HydrophobicContact CG-CD1 4.41Å; P384-I460 HydrophobicContact CG-CG2 3.42Å; P384-I460 VanDerWaalsContact CG-CG2 3.42Å
385	E	95.2	Very high	95.4	Very high	77 Å²	77	38.6 Å²	38.6	36%	0.36	23%	0.233	S	C	.	.	S	Bend	trans	-67.7	140.6	177.9	-56.8	83.7	175.4	0	0	111.8	G383	G383-E385 PolarHBondContact O-N 3.41Å
386	S	96.7	Very high	94.9	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-64.3	139.6	169.4	-61.2	0	0	0	0	111	D269 H273 S375 P376 S461 R465	D269-S386 WeakPolarHBondContact OD1-CB 3.49Å; D269-S386 PolarHBondContact OD1-OG 3.12Å; H273-S386 PolarHBondContact CE1-OG 3.32Å; S375-S386 WeakPolarHBondContact O-CA 3.43Å; P376-S386 VanDerWaalsContact CA-OG 3.31Å; P376-S386 WeakPolarHBondContact CA-OG 3.41Å; P376-S386 WeakPolarHBondContact CB-OG 3.35Å; S386-S461 PolarHBondContact N-OG 3.21Å; S386-S461 PolarHBondContact OG-OG 3Å; S386-R465 PolarHBondContact O-NH2 3.37Å
387	K	96.9	Very high	94.2	Very high	105 Å²	105	42.1 Å²	42.1	46%	0.457	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.4	167.3	-169.8	171.6	-176.8	177.2	0	109.1	A342 C374 S375 C389	A342-K387 HydrophobicContact CB-CB 4.27Å; A342-K387 HydrophobicContact CB-CD 4.42Å; A342-K387 HydrophobicContact CB-CG 4.12Å; C374-K387 CarbonylContact C-O 3.56Å; C374-K387 WeakPolarHBondContact CA-O 3.1Å; S375-K387 PolarHBondContact N-O 3.05Å; S375-K387 PolarHBondContact O-N 2.79Å; S375-K387 VanDerWaalsContact O-N 3.1Å; K387-C389 WeakPolarHBondContact CE-SG 3.34Å
388	I	97.4	Very high	93.7	Very high	22 Å²	22	50 Å²	50	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.8	168.7	-66.6	-170.2	0	0	0	109.1	L265 L268 L372 L373 C374	L265-I388 HydrophobicContact CD2-CD1 4.21Å; L265-I388 HydrophobicContact CD2-CG2 4.46Å; L268-I388 HydrophobicContact CD2-CD1 3.47Å; L268-I388 VanDerWaalsContact CD2-CD1 3.47Å; L268-I388 HydrophobicContact CD2-CG1 4.42Å; L268-I388 HydrophobicContact CG-CD1 4.48Å; L372-I388 HydrophobicContact CB-CG2 4.28Å; L372-I388 HydrophobicContact CD2-CG2 4.32Å; L373-I388 CarbonylContact O-C 3.56Å; L373-I388 VanDerWaalsContact O-CA 3.25Å; L373-I388 WeakPolarHBondContact O-CA 2.92Å; C374-I388 HydrophobicContact CB-CD1 4.31Å; C374-I388 HydrophobicContact CB-CG1 3.92Å
389	C	97.6	Very high	93.2	Very high	21 Å²	21	55.1 Å²	55.1	14%	0.142	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.2	179.5	-72.4	0	0	0	0	110	A342 L373 K387	A342-C389 HydrophobicContact CB-CB 3.99Å; A342-C389 WeakPolarHBondContact O-CB 3.23Å; A342-C389 PolarHBondContact O-SG 2.63Å; A342-C389 VanDerWaalsContact O-SG 3.37Å; L373-C389 PolarHBondContact N-O 3.37Å; L373-C389 PolarHBondContact O-N 2.9Å; K387-C389 WeakPolarHBondContact CE-SG 3.34Å
390	P	98.2	Very high	92.9	Very high	9 Å²	9	55.7 Å²	55.7	6%	0.058	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	146.6	167.7	34.3	-38.2	0	0	0	110.9	L370 A371 L372 V410 M412	L370-P390 HydrophobicContact CD1-CB 4.07Å; A371-P390 CarbonylContact O-C 3.53Å; A371-P390 VanDerWaalsContact O-CA 3.25Å; A371-P390 WeakPolarHBondContact O-CA 3.24Å; L372-P390 HydrophobicContact CD2-CB 3.54Å; P390-V410 HydrophobicContact CB-CB 4.04Å; P390-V410 HydrophobicContact CB-CG1 4.43Å; P390-V410 HydrophobicContact CG-CB 4.17Å; P390-V410 WeakPolarHBondContact CG-O 3.24Å; P390-M412 HydrophobicContact CB-SD 4.32Å; P390-M412 HydrophobicContact CG-CE 4.4Å; P390-M412 HydrophobicContact CG-CG 4.23Å; P390-M412 HydrophobicContact CG-SD 4.05Å
391	F	98.4	Very high	92.6	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158	168.2	76.7	-81.6	0	0	0	111.9	V244 W333 P344 D348 Q352 A371 L373 V393 M408	V244-F391 HydrophobicContact CG1-CB 4.18Å; W333-F391 HydrophobicContact CZ2-CZ 4.17Å; P344-F391 HydrophobicContact CB-CD1 4.41Å; P344-F391 HydrophobicContact CB-CD2 4.23Å; P344-F391 HydrophobicContact CB-CE1 4.11Å; P344-F391 HydrophobicContact CB-CE2 3.92Å; P344-F391 HydrophobicContact CB-CG 4.48Å; P344-F391 HydrophobicContact CB-CZ 3.86Å; P344-F391 HydrophobicContact CG-CD2 4.21Å; P344-F391 HydrophobicContact CG-CE2 4.37Å; P344-F391 HydrophobicContact CG-CG 4.35Å; D348-F391 HydrophobicContact CB-CZ 4.05Å; Q352-F391 HydrophobicContact CB-CE2 3.75Å; Q352-F391 HydrophobicContact CB-CZ 4.1Å; Q352-F391 HydrophobicContact CG-CD2 4.38Å; Q352-F391 HydrophobicContact CG-CE2 3.79Å; Q352-F391 HydrophobicContact CG-CZ 4.39Å; A371-F391 HydrophobicContact CB-CD1 3.61Å; A371-F391 HydrophobicContact CB-CD2 4.4Å; A371-F391 HydrophobicContact CB-CE1 3.2Å; A371-F391 HydrophobicContact CB-CE2 4.07Å; A371-F391 HydrophobicContact CB-CG 4.19Å; A371-F391 HydrophobicContact CB-CZ 3.46Å; A371-F391 VanDerWaalsContact CB-CZ 3.46Å; A371-F391 PolarHBondContact N-O 2.81Å; A371-F391 PolarHBondContact O-N 2.99Å; L373-F391 HydrophobicContact CD1-CD1 3.89Å; L373-F391 HydrophobicContact CD1-CE1 3.7Å; L373-F391 HydrophobicContact CD2-CE1 4.08Å; L373-F391 HydrophobicContact CG-CD1 3.97Å; L373-F391 HydrophobicContact CG-CE1 3.67Å; F391-V393 HydrophobicContact CD2-CG2 4.03Å; F391-V393 HydrophobicContact CE2-CG2 3.87Å; F391-M408 VanDerWaalsContact CA-O 3.27Å; F391-M408 WeakPolarHBondContact CA-O 3.3Å; F391-M408 WeakPolarHBondContact CB-O 3.44Å
392	W	97.9	Very high	92.3	Very high	24 Å²	24	60.3 Å²	60.3	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.7	172.8	179.7	85.8	0	0	0	108.4	F247 P255 F256 M394 M408 V410	F247-W392 HydrophobicContact CE1-CE3 4.14Å; F247-W392 HydrophobicContact CE1-CZ3 4.28Å; F247-W392 AromaticContact CZ-CE3 3.95Å; F247-W392 HydrophobicContact CZ-CE3 3.95Å; P255-W392 HydrophobicContact CG-CD2 4.34Å; P255-W392 HydrophobicContact CG-CE3 4.32Å; P255-W392 HydrophobicContact CG-CH2 4.4Å; P255-W392 HydrophobicContact CG-CZ2 4.44Å; P255-W392 HydrophobicContact CG-CZ3 4.32Å; F256-W392 AromaticContact CE1-CD1 3.87Å; F256-W392 HydrophobicContact CE1-CG 4.39Å; F256-W392 AromaticContact CE1-NE1 3.95Å; F256-W392 AromaticContact CZ-CD1 3.86Å; F256-W392 HydrophobicContact CZ-CG 4.39Å; W392-M394 HydrophobicContact CE3-CB 4.37Å; W392-M394 HydrophobicContact CH2-CB 4.4Å; W392-M394 HydrophobicContact CZ3-CB 3.67Å; W392-M394 HydrophobicContact CZ3-CE 4.44Å; W392-M394 HydrophobicContact CZ3-CG 4.09Å; W392-M408 HydrophobicContact CE3-CB 4.46Å; W392-M408 HydrophobicContact CE3-CG 4.16Å; W392-M408 PolarHBondContact N-O 2.69Å; W392-M408 WeakPolarHBondContact O-CA 3.4Å; W392-M408 VanDerWaalsContact O-CB 3.29Å; W392-M408 WeakPolarHBondContact O-CB 3.42Å; W392-M408 PolarHBondContact O-N 2.77Å; W392-V410 HydrophobicContact CB-CG2 3.55Å
393	V	97.1	Very high	92.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.9	-177	-177	0	0	0	0	110.3	I349 Q352 M353 Q356 F391 G405 I406	I349-V393 HydrophobicContact CG2-CG1 3.98Å; I349-V393 HydrophobicContact CG2-CG2 4.21Å; Q352-V393 HydrophobicContact CB-CG2 3.85Å; Q352-V393 HydrophobicContact CG-CB 4.15Å; Q352-V393 HydrophobicContact CG-CG2 3.56Å; M353-V393 HydrophobicContact CG-CB 3.93Å; M353-V393 HydrophobicContact CG-CG1 3.5Å; M353-V393 HydrophobicContact SD-CB 3.68Å; M353-V393 HydrophobicContact SD-CG1 3.4Å; M353-V393 WeakPolarHBondContact SD-CG1 3.48Å; Q356-V393 PolarHBondContact NE2-O 3.04Å; F391-V393 HydrophobicContact CD2-CG2 4.03Å; F391-V393 HydrophobicContact CE2-CG2 3.87Å; V393-G405 VanDerWaalsContact CG1-CA 3.47Å; V393-I406 WeakPolarHBondContact CA-O 3.42Å
394	M	94.3	Very high	92.2	Very high	34 Å²	34	53.5 Å²	53.5	17%	0.167	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.2	169.3	-168.4	175	-62.9	0	0	109.3	F247 I250 K252 W392 G405 I406 M408	F247-M394 HydrophobicContact CD1-CE 4.05Å; F247-M394 HydrophobicContact CE1-CE 3.97Å; I250-M394 HydrophobicContact CD1-CE 3.65Å; I250-M394 HydrophobicContact CD1-SD 3.84Å; K252-M394 HydrophobicContact CB-CE 4.21Å; K252-M394 HydrophobicContact CG-CE 4.08Å; W392-M394 HydrophobicContact CE3-CB 4.37Å; W392-M394 HydrophobicContact CH2-CB 4.4Å; W392-M394 HydrophobicContact CZ3-CB 3.67Å; W392-M394 HydrophobicContact CZ3-CE 4.44Å; W392-M394 HydrophobicContact CZ3-CG 4.09Å; M394-G405 CarbonylContact O-C 3.57Å; M394-G405 VanDerWaalsContact O-CA 3.29Å; M394-G405 WeakPolarHBondContact O-CA 3.47Å; M394-I406 HydrophobicContact CB-CB 4.19Å; M394-I406 PolarHBondContact N-O 3.34Å; M394-I406 PolarHBondContact O-N 3.32Å; M394-M408 HydrophobicContact CB-CG 3.86Å; M394-M408 HydrophobicContact CB-SD 4.2Å; M394-M408 HydrophobicContact CE-CE 4.1Å; M394-M408 HydrophobicContact CE-CG 4.2Å; M394-M408 HydrophobicContact CE-SD 4.1Å
395	P	91.7	Very high	92.4	Very high	68 Å²	68	52.2 Å²	52.2	44%	0.442	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-53.6	146.7	173.2	-24.3	32.9	0	0	0	111.1	M353	M353-P395 HydrophobicContact CE-CB 4.42Å; M353-P395 HydrophobicContact CE-CG 4.22Å
396	P	88.1	Confident	92.4	Very high	37 Å²	37	49.3 Å²	49.3	24%	0.24	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-57.4	146.4	177	23.8	-32.5	0	0	0	110.4	D403	P396-D403 HydrophobicContact CB-CB 4.31Å
397	P	83.1	Confident	92.4	Very high	39 Å²	39	49 Å²	49	25%	0.253	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-55.4	145.4	177.6	-23.7	32.8	0	0	0	111.7	Q399 R400	P397-Q399 PolarHBondContact O-N 2.98Å; P397-R400 CarbonylContact O-C 3.54Å; P397-R400 PolarHBondContact O-N 2.88Å
398	E	84.5	Confident	92.5	Very high	181 Å²	181	44 Å²	44	85%	0.846	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.9	-179.9	-67.3	-178.2	175.3	0	0	113.2	R400	E398-R400 VanDerWaalsContact C-N 3.27Å; E398-R400 PolarHBondContact O-N 2.94Å
399	Q	86.6	Confident	92.5	Very high	159 Å²	159	46 Å²	46	74%	0.743	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.1	177.5	-56.2	80.6	14.1	0	0	113.1	P397	P397-Q399 PolarHBondContact O-N 2.98Å
400	R	85.9	Confident	92.5	Very high	123 Å²	123	45.2 Å²	45.2	46%	0.464	24%	0.238	S	C	.	.			trans	-137.6	63.8	-178	-65.9	-172.6	-71.1	153.8	-10.1	110.9	P397 E398 S402 D403	P397-R400 CarbonylContact O-C 3.54Å; P397-R400 PolarHBondContact O-N 2.88Å; E398-R400 VanDerWaalsContact C-N 3.27Å; E398-R400 PolarHBondContact O-N 2.94Å; R400-S402 PolarHBondContact O-N 2.91Å; R400-S402 VanDerWaalsContact O-N 3.13Å; R400-D403 HydrophobicContact CB-CB 4.34Å; R400-D403 WeakPolarHBondContact CB-OD2 3.08Å; R400-D403 VanDerWaalsContact CD-OD2 3.3Å; R400-D403 WeakPolarHBondContact CD-OD2 3.42Å; R400-D403 IonicContact CZ-OD2 3.27Å; R400-D403 VanDerWaalsContact CZ-OD2 3.27Å; R400-D403 IonicContact NE-OD2 3.43Å; R400-D403 PolarHBondContact NE-OD2 3.3Å; R400-D403 IonicContact NH1-OD2 2.69Å; R400-D403 PolarHBondContact NH1-OD2 3.12Å; R400-D403 WeakPolarHBondContact O-CB 3.01Å; R400-D403 PolarHBondContact O-N 2.79Å; R400-D403 VanDerWaalsContact O-N 3.11Å
401	P	86.1	Confident	92.4	Very high	100 Å²	100	52 Å²	52	65%	0.649	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-16.5	-175.3	30.3	-36.2	0	0	0	113.1	D403	P401-D403 VanDerWaalsContact C-N 3.32Å
402	S	87.4	Confident	92.3	Very high	66 Å²	66	54.8 Å²	54.8	46%	0.462	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.6	176.7	56.3	0	0	0	0	114	R232 R400	R232-S402 WeakPolarHBondContact CB-O 3.37Å; R232-S402 WeakPolarHBondContact CD-O 3.46Å; R232-S402 WeakPolarHBondContact CG-O 3.45Å; R232-S402 PolarHBondContact N-O 3.49Å; R400-S402 PolarHBondContact O-N 2.91Å; R400-S402 VanDerWaalsContact O-N 3.13Å
403	D	90.7	Very high	92.2	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-82.5	165	178.6	-70.9	8.8	0	0	0	110.9	S231 P396 R400 P401	S231-D403 WeakPolarHBondContact CA-OD1 3.27Å; S231-D403 WeakPolarHBondContact CB-OD1 3.42Å; S231-D403 PolarHBondContact OG-OD1 3.24Å; P396-D403 HydrophobicContact CB-CB 4.31Å; R400-D403 HydrophobicContact CB-CB 4.34Å; R400-D403 WeakPolarHBondContact CB-OD2 3.08Å; R400-D403 VanDerWaalsContact CD-OD2 3.3Å; R400-D403 WeakPolarHBondContact CD-OD2 3.42Å; R400-D403 IonicContact CZ-OD2 3.27Å; R400-D403 VanDerWaalsContact CZ-OD2 3.27Å; R400-D403 IonicContact NE-OD2 3.43Å; R400-D403 PolarHBondContact NE-OD2 3.3Å; R400-D403 IonicContact NH1-OD2 2.69Å; R400-D403 PolarHBondContact NH1-OD2 3.12Å; R400-D403 WeakPolarHBondContact O-CB 3.01Å; R400-D403 PolarHBondContact O-N 2.79Å; R400-D403 VanDerWaalsContact O-N 3.11Å; P401-D403 VanDerWaalsContact C-N 3.32Å
404	Y	91.6	Very high	92	Very high	14 Å²	14	61.1 Å²	61.1	6%	0.055	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-66.6	156.3	169.5	-71.6	-84.3	0	0	0	110.1	Y226 R232 L346	Y226-Y404 PolarHBondContact OH-O 2.95Å; R232-Y404 HydrophobicContact CB-CE2 4.15Å; R232-Y404 HydrophobicContact CG-CD1 4.09Å; R232-Y404 HydrophobicContact CG-CD2 3.76Å; R232-Y404 HydrophobicContact CG-CE1 4.05Å; R232-Y404 HydrophobicContact CG-CE2 3.74Å; R232-Y404 HydrophobicContact CG-CG 3.93Å; L346-Y404 HydrophobicContact CB-CE1 4.34Å; L346-Y404 HydrophobicContact CD1-CE2 4.44Å; L346-Y404 HydrophobicContact CD2-CD1 3.97Å; L346-Y404 HydrophobicContact CD2-CD2 4.12Å; L346-Y404 HydrophobicContact CD2-CE1 4.01Å; L346-Y404 HydrophobicContact CD2-CE2 4.13Å; L346-Y404 HydrophobicContact CD2-CG 4.04Å
405	G	94.3	Very high	92	Very high	4 Å²	4	62.8 Å²	62.8	4%	0.041	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-64.3	153	167.2	0	0	0	0	0	110.9	Y226 I349 V393 M394 P407	Y226-G405 WeakPolarHBondContact CE2-O 3.17Å; I349-G405 WeakPolarHBondContact CG2-O 3.38Å; V393-G405 VanDerWaalsContact CG1-CA 3.47Å; M394-G405 CarbonylContact O-C 3.57Å; M394-G405 VanDerWaalsContact O-CA 3.29Å; M394-G405 WeakPolarHBondContact O-CA 3.47Å; G405-P407 WeakPolarHBondContact O-CD 3.27Å
406	I	95.6	Very high	92	Very high	16 Å²	16	63.4 Å²	63.4	8%	0.082	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.8	-179.8	-47.8	171.3	0	0	0	108.1	Y226 V393 M394 M408	Y226-I406 HydrophobicContact CD1-CG1 4.31Å; Y226-I406 HydrophobicContact CD1-CG2 4.25Å; Y226-I406 HydrophobicContact CD2-CG2 4.38Å; Y226-I406 HydrophobicContact CE1-CD1 4.29Å; Y226-I406 HydrophobicContact CE1-CG1 3.73Å; Y226-I406 HydrophobicContact CE2-CB 4.34Å; Y226-I406 HydrophobicContact CE2-CG1 3.96Å; Y226-I406 HydrophobicContact CG-CG2 4.2Å; V393-I406 WeakPolarHBondContact CA-O 3.42Å; M394-I406 HydrophobicContact CB-CB 4.19Å; M394-I406 PolarHBondContact N-O 3.34Å; M394-I406 PolarHBondContact O-N 3.32Å; I406-M408 HydrophobicContact CB-SD 3.99Å; I406-M408 HydrophobicContact CG2-SD 3.56Å; I406-M408 VanDerWaalsContact CG2-SD 3.56Å; I406-M408 PolarHBondContact O-N 3.48Å
407	P	97.4	Very high	92.2	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	115.2	173.7	29.3	-33.1	0	0	0	109.1	V242 V244 T245 P344 I349 G405	V242-P407 HydrophobicContact CB-CG 4.38Å; V242-P407 HydrophobicContact CG1-CG 3.83Å; V244-P407 CarbonylContact C-O 3.43Å; V244-P407 WeakPolarHBondContact CA-O 3.44Å; V244-P407 HydrophobicContact CG1-CB 4.35Å; T245-P407 PolarHBondContact N-O 3.11Å; P344-P407 HydrophobicContact CG-CB 3.6Å; P344-P407 HydrophobicContact CG-CG 4.26Å; I349-P407 HydrophobicContact CD1-CB 4.23Å; I349-P407 HydrophobicContact CD1-CG 3.87Å; I349-P407 HydrophobicContact CG1-CB 4.17Å; I349-P407 HydrophobicContact CG1-CG 4.36Å; G405-P407 WeakPolarHBondContact O-CD 3.27Å
408	M	97.9	Very high	92.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134	-178.9	-54.7	-55.6	-61.9	0	0	110.3	T245 F247 I250 F391 W392 M394 I406	T245-M408 HydrophobicContact CG2-CE 4.41Å; T245-M408 CarbonylContact O-C 3.6Å; T245-M408 VanDerWaalsContact O-CA 3.25Å; T245-M408 WeakPolarHBondContact O-CA 3.47Å; T245-M408 WeakPolarHBondContact O-CE 3.13Å; F247-M408 VanDerWaalsContact CA-CE 3.49Å; F247-M408 HydrophobicContact CB-CE 4.22Å; F247-M408 HydrophobicContact CD1-CB 4.49Å; F247-M408 HydrophobicContact CD1-CE 3.65Å; F247-M408 HydrophobicContact CD1-CG 4.42Å; F247-M408 HydrophobicContact CD2-CB 4.27Å; F247-M408 HydrophobicContact CD2-CE 4.32Å; F247-M408 HydrophobicContact CE1-CB 3.88Å; F247-M408 HydrophobicContact CE1-CE 4.04Å; F247-M408 HydrophobicContact CE1-CG 3.83Å; F247-M408 HydrophobicContact CE2-CB 3.64Å; F247-M408 HydrophobicContact CE2-CG 4.49Å; F247-M408 HydrophobicContact CG-CE 3.8Å; F247-M408 HydrophobicContact CZ-CB 3.41Å; F247-M408 VanDerWaalsContact CZ-CB 3.41Å; F247-M408 HydrophobicContact CZ-CG 3.88Å; I250-M408 HydrophobicContact CD1-CE 3.49Å; I250-M408 VanDerWaalsContact CD1-CE 3.49Å; I250-M408 HydrophobicContact CD1-SD 3.94Å; I250-M408 HydrophobicContact CG1-CE 3.94Å; F391-M408 VanDerWaalsContact CA-O 3.27Å; F391-M408 WeakPolarHBondContact CA-O 3.3Å; F391-M408 WeakPolarHBondContact CB-O 3.44Å; W392-M408 HydrophobicContact CE3-CB 4.46Å; W392-M408 HydrophobicContact CE3-CG 4.16Å; W392-M408 PolarHBondContact N-O 2.69Å; W392-M408 WeakPolarHBondContact O-CA 3.4Å; W392-M408 VanDerWaalsContact O-CB 3.29Å; W392-M408 WeakPolarHBondContact O-CB 3.42Å; W392-M408 PolarHBondContact O-N 2.77Å; M394-M408 HydrophobicContact CB-CG 3.86Å; M394-M408 HydrophobicContact CB-SD 4.2Å; M394-M408 HydrophobicContact CE-CE 4.1Å; M394-M408 HydrophobicContact CE-CG 4.2Å; M394-M408 HydrophobicContact CE-SD 4.1Å; I406-M408 HydrophobicContact CB-SD 3.99Å; I406-M408 HydrophobicContact CG2-SD 3.56Å; I406-M408 VanDerWaalsContact CG2-SD 3.56Å; I406-M408 PolarHBondContact O-N 3.48Å
409	D	97.8	Very high	92.5	Very high	65 Å²	65	62.9 Å²	62.9	35%	0.348	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.8	170.9	-167.2	22	0	0	0	109.4	V244 T245 F247	V244-D409 HydrophobicContact CB-CB 4.04Å; V244-D409 HydrophobicContact CG2-CB 3.79Å; T245-D409 PolarHBondContact O-N 2.77Å; F247-D409 VanDerWaalsContact CD2-O 3.24Å; F247-D409 WeakPolarHBondContact CD2-O 3.46Å; F247-D409 WeakPolarHBondContact CE2-O 3.5Å
410	V	97.9	Very high	92.4	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.03	30%	0.295	C	S	.	.			trans	-112.1	121	-175	173	0	0	0	0	109.6	F247 V258 L370 P390 W392	F247-V410 HydrophobicContact CE2-CG2 4.3Å; V258-V410 HydrophobicContact CB-CG1 4.44Å; V258-V410 HydrophobicContact CG2-CG1 3.74Å; L370-V410 HydrophobicContact CD1-CB 4.38Å; L370-V410 HydrophobicContact CD1-CG1 3.92Å; L370-V410 HydrophobicContact CD1-CG2 4.47Å; P390-V410 HydrophobicContact CB-CB 4.04Å; P390-V410 HydrophobicContact CB-CG1 4.43Å; P390-V410 HydrophobicContact CG-CB 4.17Å; P390-V410 WeakPolarHBondContact CG-O 3.24Å; W392-V410 HydrophobicContact CB-CG2 3.55Å
411	E	96.7	Very high	92.3	Very high	150 Å²	150	51.2 Å²	51.2	70%	0.701	28%	0.281	S	S	*	.			trans	-75.4	129.7	171	-66.4	-178	-174	0	0	110	Q254	Q254-E411 PolarHBondContact NE2-O 2.7Å
412	M	95.8	Very high	92.3	Very high	62 Å²	62	51.5 Å²	51.5	31%	0.305	28%	0.277	S	S	.	.			trans	-126.1	136.5	178.7	64.5	176.8	-179.5	0	0	111.6	V258 V260 L372 P390	V258-M412 HydrophobicContact CB-CB 4.01Å; V258-M412 HydrophobicContact CG1-CB 3.83Å; V258-M412 WeakPolarHBondContact O-CA 3.32Å; V260-M412 HydrophobicContact CB-SD 4.5Å; V260-M412 HydrophobicContact CG2-CB 4.31Å; V260-M412 HydrophobicContact CG2-SD 3.86Å; L372-M412 HydrophobicContact CD2-SD 4.44Å; P390-M412 HydrophobicContact CB-SD 4.32Å; P390-M412 HydrophobicContact CG-CE 4.4Å; P390-M412 HydrophobicContact CG-CG 4.23Å; P390-M412 HydrophobicContact CG-SD 4.05Å
413	A	96.5	Very high	92.3	Very high	57 Å²	57	51.3 Å²	51.3	47%	0.471	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.9	170.1	0	0	0	0	0	110.2	V258 A259 V260	V258-A413 PolarHBondContact O-N 3.19Å; A259-A413 WeakPolarHBondContact CA-O 3.27Å; V260-A413 PolarHBondContact N-O 3.42Å
414	Y	92.1	Very high	92.4	Very high	99 Å²	99	51.2 Å²	51.2	39%	0.388	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.5	173.3	175.5	-108.6	0	0	0	110.5	S262 L265 Q416	S262-Y414 WeakPolarHBondContact CB-OH 3.14Å; L265-Y414 HydrophobicContact CD1-CD2 3.69Å; L265-Y414 HydrophobicContact CD1-CE2 3.93Å; Y414-Q416 HydrophobicContact CD1-CB 4.42Å; Y414-Q416 HydrophobicContact CE1-CB 3.74Å; Y414-Q416 HydrophobicContact CE1-CG 4.08Å
415	V	94.6	Very high	92.2	Very high	69 Å²	69	50.8 Å²	50.8	42%	0.418	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	103.7	176.4	-176.8	0	0	0	0	108.9	A259 V260 S261 S262 D417	A259-V415 HydrophobicContact CB-CG2 3.94Å; V260-V415 PolarHBondContact O-N 3.41Å; S261-V415 CarbonylContact C-O 3.57Å; S261-V415 WeakPolarHBondContact CA-O 3.29Å; S262-V415 PolarHBondContact N-O 3.47Å; V415-D417 PolarHBondContact O-N 3.5Å
416	Q	91.8	Very high	92.1	Very high	81 Å²	81	55.8 Å²	55.8	38%	0.379	29%	0.291	S	S	.	.			trans	-73.6	119.3	177.8	-162.9	-179.8	22.1	0	0	110.8	Y414 T466 K468	Y414-Q416 HydrophobicContact CD1-CB 4.42Å; Y414-Q416 HydrophobicContact CE1-CB 3.74Å; Y414-Q416 HydrophobicContact CE1-CG 4.08Å; Q416-T466 PolarHBondContact NE2-O 3.33Å; Q416-T466 VanDerWaalsContact NE2-O 3.08Å; Q416-K468 VanDerWaalsContact CD-CG 3.47Å; Q416-K468 HydrophobicContact CG-CG 3.96Å; Q416-K468 VanDerWaalsContact OE1-CE 3.32Å
417	D	91.3	Very high	92.1	Very high	41 Å²	41	57.4 Å²	57.4	22%	0.219	30%	0.298	C	S	.	.			trans	-71.1	153.8	175.2	-64.4	-92.5	0	0	0	110.6	S261 S262 N263 V415 P467 K468	S261-D417 PolarHBondContact OG-OD1 3.31Å; S261-D417 PolarHBondContact OG-OD2 2.9Å; S262-D417 PolarHBondContact N-OD2 3.44Å; S262-D417 WeakPolarHBondContact OG-CB 3.13Å; S262-D417 PolarHBondContact OG-N 3.33Å; S262-D417 PolarHBondContact OG-OD2 3.22Å; N263-D417 PolarHBondContact N-OD2 3.44Å; N263-D417 WeakPolarHBondContact ND2-CB 3.48Å; N263-D417 PolarHBondContact ND2-OD1 3.43Å; V415-D417 PolarHBondContact O-N 3.5Å; D417-P467 HydrophobicContact CB-CB 4.3Å; D417-P467 HydrophobicContact CB-CG 4.34Å; D417-P467 WeakPolarHBondContact O-CA 3.34Å; D417-P467 VanDerWaalsContact O-CB 3.29Å; D417-P467 WeakPolarHBondContact O-CB 3.29Å; D417-K468 PolarHBondContact O-N 2.94Å
418	S	88.3	Confident	92	Very high	79 Å²	79	57.5 Å²	57.5	55%	0.552	30%	0.299	S	S	*	.	S	Bend	trans	-69.1	-36.1	175.3	-58.8	0	0	0	0	112.1	D469	S418-D469 VanDerWaalsContact O-CB 3.28Å; S418-D469 WeakPolarHBondContact O-CB 3.42Å; S418-D469 PolarHBondContact O-N 2.91Å
419	F	85.5	Confident	91.9	Very high	127 Å²	127	59.4 Å²	59.4	56%	0.557	31%	0.31	S	S	*	.	S	Bend	trans	-148.8	157.1	-175.7	55.3	-91.1	0	0	0	112.3	N263 T421	N263-F419 PolarHBondContact ND2-O 3.43Å; N263-F419 VanDerWaalsContact ND2-O 3.16Å; F419-T421 HydrophobicContact CD2-CG2 4.19Å; F419-T421 HydrophobicContact CE2-CG2 3.9Å
420	L	84.7	Confident	91.8	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	31%	0.31	C	S	.	.			trans	-78.5	123.7	168.9	-171.9	65.3	0	0	0	109	N263 F266 I424 L425 P467 M472 L476	N263-L420 VanDerWaalsContact OD1-CD1 3.26Å; N263-L420 WeakPolarHBondContact OD1-CD1 3.38Å; F266-L420 HydrophobicContact CD1-CD1 3.93Å; F266-L420 HydrophobicContact CE1-CD1 4.09Å; F266-L420 HydrophobicContact CE1-CD2 4.09Å; F266-L420 HydrophobicContact CZ-CD2 4.36Å; L420-I424 HydrophobicContact CD1-CB 3.91Å; L420-I424 HydrophobicContact CD1-CG1 4.44Å; L420-I424 HydrophobicContact CD1-CG2 3.57Å; L420-I424 HydrophobicContact CG-CG2 4.46Å; L420-L425 HydrophobicContact CD2-CD1 4.16Å; L420-L425 HydrophobicContact CD2-CD2 3.53Å; L420-L425 HydrophobicContact CD2-CG 3.76Å; L420-L425 HydrophobicContact CG-CD2 4.45Å; L420-L425 HydrophobicContact CG-CG 4.18Å; L420-P467 HydrophobicContact CB-CG 4.19Å; L420-M472 HydrophobicContact CB-CG 4.48Å; L420-L476 HydrophobicContact CD2-CD1 4.48Å; L420-L476 HydrophobicContact CD2-CD2 4.2Å; L420-L476 HydrophobicContact CD2-CG 4.42Å
421	T	84.7	Confident	91.7	Very high	29 Å²	29	59.1 Å²	59.1	18%	0.178	31%	0.308	C	S	.	.			trans	-79.1	148.9	-177.6	73.8	0	0	0	0	111.7	F419 D423 I424 L425	F419-T421 HydrophobicContact CD2-CG2 4.19Å; F419-T421 HydrophobicContact CE2-CG2 3.9Å; T421-D423 PolarHBondContact O-N 3.27Å; T421-I424 PolarHBondContact O-N 2.9Å; T421-I424 WeakPolarHBondContact OG1-CG1 3.42Å; T421-I424 PolarHBondContact OG1-N 2.79Å; T421-L425 PolarHBondContact O-N 3.49Å
422	N	85.6	Confident	91.7	Very high	106 Å²	106	52.4 Å²	52.4	57%	0.567	28%	0.278	S	S	*	.	H	α-helix	trans	-56.4	-32.2	174.5	-73.3	-37.2	0	0	0	112.8	I424 L425 Q426 M475	N422-I424 VanDerWaalsContact C-N 3.32Å; N422-I424 PolarHBondContact O-N 3.26Å; N422-L425 PolarHBondContact O-N 3.26Å; N422-Q426 WeakPolarHBondContact O-CB 3.5Å; N422-Q426 PolarHBondContact O-N 3.45Å; N422-M475 VanDerWaalsContact OD1-CE 3.29Å; N422-M475 WeakPolarHBondContact OD1-CE 3.44Å
423	D	88.6	Confident	91.6	Very high	61 Å²	61	53.9 Å²	53.9	33%	0.326	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-44.3	174.8	-71.1	-24.7	0	0	0	111.6	R298 R326 T421 L425 Q426 E427	R298-D423 IonicContact CZ-OD2 2.94Å; R298-D423 IonicContact NH1-OD2 3.66Å; R298-D423 PolarHBondContact NH1-OD2 3.24Å; R298-D423 IonicContact NH2-OD2 2.73Å; R298-D423 PolarHBondContact NH2-OD2 2.81Å; R326-D423 IonicContact CZ-OD2 3.25Å; R326-D423 IonicContact NH1-OD2 3.55Å; R326-D423 PolarHBondContact NH1-OD2 2.94Å; R326-D423 IonicContact NH2-OD1 3.67Å; R326-D423 IonicContact NH2-OD2 2.81Å; R326-D423 PolarHBondContact NH2-OD2 3.06Å; R326-D423 VanDerWaalsContact NH2-OD2 3.11Å; T421-D423 PolarHBondContact O-N 3.27Å; D423-L425 VanDerWaalsContact C-N 3.35Å; D423-Q426 PolarHBondContact O-N 2.76Å; D423-E427 WeakPolarHBondContact O-CG 3.37Å; D423-E427 PolarHBondContact O-N 3.48Å
424	I	91.1	Very high	91.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-42.9	-179	-63.8	-66.7	0	0	0	110.1	N263 F266 L267 L420 T421 N422 Q426 E427 M428	N263-I424 HydrophobicContact CB-CD1 4.36Å; N263-I424 HydrophobicContact CB-CG1 4.19Å; F266-I424 HydrophobicContact CD1-CG2 4.27Å; L267-I424 HydrophobicContact CB-CD1 4.25Å; L267-I424 HydrophobicContact CB-CG2 4.06Å; L267-I424 HydrophobicContact CD1-CG2 4.35Å; L267-I424 HydrophobicContact CD2-CD1 3.81Å; L420-I424 HydrophobicContact CD1-CB 3.91Å; L420-I424 HydrophobicContact CD1-CG1 4.44Å; L420-I424 HydrophobicContact CD1-CG2 3.57Å; L420-I424 HydrophobicContact CG-CG2 4.46Å; T421-I424 PolarHBondContact O-N 2.9Å; T421-I424 WeakPolarHBondContact OG1-CG1 3.42Å; T421-I424 PolarHBondContact OG1-N 2.79Å; N422-I424 VanDerWaalsContact C-N 3.32Å; N422-I424 PolarHBondContact O-N 3.26Å; I424-Q426 VanDerWaalsContact C-N 3.34Å; I424-Q426 PolarHBondContact O-N 3.07Å; I424-E427 PolarHBondContact O-N 2.9Å; I424-M428 HydrophobicContact CG2-SD 4.47Å; I424-M428 WeakPolarHBondContact O-CG 3.47Å; I424-M428 PolarHBondContact O-N 3.03Å
425	L	89.3	Confident	91.6	Very high	6 Å²	6	50 Å²	50	3%	0.031	26%	0.259	C	S	.	.	H	α-helix	trans	-63.5	-41.1	177.2	-70.8	169.1	0	0	0	111.8	L420 T421 N422 D423 E427 M428 V429 M472 M475 L476	L420-L425 HydrophobicContact CD2-CD1 4.16Å; L420-L425 HydrophobicContact CD2-CD2 3.53Å; L420-L425 HydrophobicContact CD2-CG 3.76Å; L420-L425 HydrophobicContact CG-CD2 4.45Å; L420-L425 HydrophobicContact CG-CG 4.18Å; T421-L425 PolarHBondContact O-N 3.49Å; N422-L425 PolarHBondContact O-N 3.26Å; D423-L425 VanDerWaalsContact C-N 3.35Å; L425-E427 VanDerWaalsContact C-N 3.33Å; L425-E427 PolarHBondContact O-N 3.04Å; L425-M428 HydrophobicContact CD2-SD 4.03Å; L425-M428 WeakPolarHBondContact O-CB 3.37Å; L425-M428 PolarHBondContact O-N 3.11Å; L425-V429 WeakPolarHBondContact O-CG2 3.49Å; L425-V429 PolarHBondContact O-N 3.35Å; L425-M472 HydrophobicContact CD1-CB 4.44Å; L425-M472 HydrophobicContact CD1-CG 4.36Å; L425-M472 HydrophobicContact CD1-SD 4.19Å; L425-M475 HydrophobicContact CD1-CB 3.83Å; L425-M475 HydrophobicContact CD1-CE 3.22Å; L425-M475 HydrophobicContact CD1-CG 4.31Å; L425-M475 HydrophobicContact CD1-SD 3.86Å; L425-M475 HydrophobicContact CD2-CB 4.09Å; L425-M475 HydrophobicContact CG-CE 4.5Å; L425-L476 HydrophobicContact CD2-CD2 3.92Å; L425-L476 HydrophobicContact CD2-CG 4.36Å
426	Q	91.9	Very high	91.6	Very high	109 Å²	109	51.8 Å²	51.8	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-42.6	174.2	-173.7	62.2	29.1	0	0	111.4	N422 D423 I424 M428 V429 L430	N422-Q426 WeakPolarHBondContact O-CB 3.5Å; N422-Q426 PolarHBondContact O-N 3.45Å; D423-Q426 PolarHBondContact O-N 2.76Å; I424-Q426 VanDerWaalsContact C-N 3.34Å; I424-Q426 PolarHBondContact O-N 3.07Å; Q426-M428 VanDerWaalsContact C-N 3.33Å; Q426-M428 PolarHBondContact O-N 3.11Å; Q426-V429 PolarHBondContact O-N 2.86Å; Q426-L430 HydrophobicContact CG-CD1 4.39Å; Q426-L430 WeakPolarHBondContact O-CG 3.24Å; Q426-L430 PolarHBondContact O-N 3.22Å
427	E	94.8	Very high	91.4	Very high	49 Å²	49	51.1 Å²	51.1	23%	0.229	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-39.9	174.6	-69.7	-58.8	156.9	0	0	112	L267 R303 D423 I424 L425 V429 L430 L431	L267-E427 HydrophobicContact CD1-CB 4.02Å; L267-E427 HydrophobicContact CD2-CB 3.9Å; L267-E427 HydrophobicContact CD2-CG 4.29Å; R303-E427 IonicContact CZ-OE2 3.57Å; R303-E427 IonicContact NH1-OE2 3.84Å; R303-E427 PolarHBondContact NH1-OE2 2.83Å; D423-E427 WeakPolarHBondContact O-CG 3.37Å; D423-E427 PolarHBondContact O-N 3.48Å; I424-E427 PolarHBondContact O-N 2.9Å; L425-E427 VanDerWaalsContact C-N 3.33Å; L425-E427 PolarHBondContact O-N 3.04Å; E427-V429 PolarHBondContact O-N 3.34Å; E427-L430 PolarHBondContact O-N 3.23Å; E427-L431 WeakPolarHBondContact O-CB 3.33Å; E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.38Å
428	M	95.6	Very high	91.4	Very high	2 Å²	2	50 Å²	50	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-41.5	175.3	-66.3	173.1	81.7	0	0	112.4	F266 L267 F270 I424 L425 Q426 L431 A432 L462 L476 V479	F266-M428 HydrophobicContact CD1-SD 4.38Å; F266-M428 HydrophobicContact CE1-CE 3.79Å; F266-M428 HydrophobicContact CE1-SD 3.61Å; F266-M428 HydrophobicContact CZ-CE 4.33Å; L267-M428 HydrophobicContact CD1-CG 3.74Å; F270-M428 HydrophobicContact CB-CE 4.19Å; F270-M428 HydrophobicContact CD1-CB 4.06Å; F270-M428 HydrophobicContact CD1-CE 4.08Å; F270-M428 HydrophobicContact CD1-CG 3.75Å; F270-M428 HydrophobicContact CD2-CE 3.39Å; F270-M428 HydrophobicContact CE1-CB 3.67Å; F270-M428 HydrophobicContact CE1-CE 4.29Å; F270-M428 HydrophobicContact CE1-CG 3.92Å; F270-M428 WeakPolarHBondContact CE1-O 3.3Å; F270-M428 HydrophobicContact CE2-CE 3.63Å; F270-M428 HydrophobicContact CG-CE 3.62Å; F270-M428 HydrophobicContact CG-CG 4.18Å; F270-M428 HydrophobicContact CZ-CB 4.05Å; F270-M428 HydrophobicContact CZ-CE 4.09Å; F270-M428 HydrophobicContact CZ-CG 4.47Å; I424-M428 HydrophobicContact CG2-SD 4.47Å; I424-M428 WeakPolarHBondContact O-CG 3.47Å; I424-M428 PolarHBondContact O-N 3.03Å; L425-M428 HydrophobicContact CD2-SD 4.03Å; L425-M428 WeakPolarHBondContact O-CB 3.37Å; L425-M428 PolarHBondContact O-N 3.11Å; Q426-M428 VanDerWaalsContact C-N 3.33Å; Q426-M428 PolarHBondContact O-N 3.11Å; M428-L431 PolarHBondContact O-N 2.82Å; M428-A432 WeakPolarHBondContact O-CB 3.4Å; M428-A432 PolarHBondContact O-N 2.89Å; M428-L462 HydrophobicContact CE-CD1 4.43Å; M428-L476 HydrophobicContact CE-CD2 3.66Å; M428-L476 HydrophobicContact SD-CD2 3.93Å; M428-V479 HydrophobicContact CB-CG1 4.24Å; M428-V479 HydrophobicContact CB-CG2 4.24Å; M428-V479 HydrophobicContact CE-CG1 4.28Å
429	V	94.7	Very high	91.6	Very high	40 Å²	40	52.8 Å²	52.8	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-45.8	175.5	170.2	0	0	0	0	110.6	L425 Q426 E427 L431 A432 E433 V479 M482	L425-V429 WeakPolarHBondContact O-CG2 3.49Å; L425-V429 PolarHBondContact O-N 3.35Å; Q426-V429 PolarHBondContact O-N 2.86Å; E427-V429 PolarHBondContact O-N 3.34Å; V429-L431 VanDerWaalsContact C-N 3.32Å; V429-L431 PolarHBondContact O-N 3.47Å; V429-A432 PolarHBondContact O-N 3.32Å; V429-E433 PolarHBondContact O-N 3.47Å; V429-V479 HydrophobicContact CG2-CG2 3.87Å; V429-M482 HydrophobicContact CG1-CE 4.07Å; V429-M482 HydrophobicContact CG1-SD 4.2Å; V429-M482 HydrophobicContact CG2-SD 4.37Å
430	L	95.6	Very high	92	Very high	65 Å²	65	47.9 Å²	47.9	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-62.7	-39.3	177.7	-70.3	173.5	0	0	0	112	Q426 E427 F434	Q426-L430 HydrophobicContact CG-CD1 4.39Å; Q426-L430 WeakPolarHBondContact O-CG 3.24Å; Q426-L430 PolarHBondContact O-N 3.22Å; E427-L430 PolarHBondContact O-N 3.23Å; L430-F434 VanDerWaalsContact O-CB 3.28Å; L430-F434 WeakPolarHBondContact O-CB 3.32Å; L430-F434 PolarHBondContact O-N 3.43Å
431	L	96.9	Very high	92.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-46.9	174.3	-80.2	178.1	0	0	0	112.1	L267 F270 H271 L274 P301 R303 E427 M428 V429 E433 F434 Y435	L267-L431 HydrophobicContact CD1-CD1 4.07Å; F270-L431 HydrophobicContact CD1-CD1 3.99Å; F270-L431 HydrophobicContact CE1-CB 4.03Å; F270-L431 HydrophobicContact CE1-CD1 4.18Å; H271-L431 HydrophobicContact CB-CD1 3.91Å; L274-L431 HydrophobicContact CD1-CB 3.67Å; L274-L431 HydrophobicContact CD1-CD1 4.4Å; L274-L431 HydrophobicContact CD1-CG 4.48Å; P301-L431 HydrophobicContact CB-CD1 3.97Å; P301-L431 HydrophobicContact CB-CD2 3.74Å; P301-L431 HydrophobicContact CB-CG 4.21Å; P301-L431 HydrophobicContact CG-CD1 3.81Å; P301-L431 HydrophobicContact CG-CD2 4.46Å; P301-L431 HydrophobicContact CG-CG 4.42Å; R303-L431 HydrophobicContact CG-CD2 4.06Å; E427-L431 WeakPolarHBondContact O-CB 3.33Å; E427-L431 WeakPolarHBondContact O-CG 3.37Å; E427-L431 PolarHBondContact O-N 3.38Å; M428-L431 PolarHBondContact O-N 2.82Å; V429-L431 VanDerWaalsContact C-N 3.32Å; V429-L431 PolarHBondContact O-N 3.47Å; L431-E433 VanDerWaalsContact C-N 3.28Å; L431-E433 PolarHBondContact O-N 2.87Å; L431-F434 PolarHBondContact O-N 3.43Å; L431-Y435 HydrophobicContact CD2-CE2 4.13Å; L431-Y435 WeakPolarHBondContact O-CD2 3.36Å; L431-Y435 PolarHBondContact O-N 2.83Å
432	A	95.6	Very high	93	Very high	8 Å²	8	46.8 Å²	46.8	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-59.1	-41	177.6	0	0	0	0	0	111.5	M428 V429 K436 M482 L483	M428-A432 WeakPolarHBondContact O-CB 3.4Å; M428-A432 PolarHBondContact O-N 2.89Å; V429-A432 PolarHBondContact O-N 3.32Å; A432-K436 PolarHBondContact O-N 3.42Å; A432-M482 HydrophobicContact CB-CE 4.34Å; A432-L483 HydrophobicContact CB-CD2 3.88Å
433	E	94.7	Very high	93.5	Very high	93 Å²	93	46.3 Å²	46.3	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-72.2	-36.6	177.1	-162.1	63.8	-159.6	0	0	112.2	V429 L431 Y435 K436	V429-E433 PolarHBondContact O-N 3.47Å; L431-E433 VanDerWaalsContact C-N 3.28Å; L431-E433 PolarHBondContact O-N 2.87Å; E433-Y435 PolarHBondContact O-N 3.41Å; E433-K436 VanDerWaalsContact O-CB 3.26Å; E433-K436 WeakPolarHBondContact O-CB 3.49Å; E433-K436 PolarHBondContact O-N 3.07Å; E433-K436 WeakPolarHBondContact OE1-CD 3.18Å; E433-K436 IonicContact OE1-NZ 3.13Å; E433-K436 PolarHBondContact OE1-NZ 2.89Å; E433-K436 WeakPolarHBondContact OE2-CD 3.47Å; E433-K436 IonicContact OE2-NZ 3.82Å; E433-K436 PolarHBondContact OE2-NZ 2.92Å; E433-K436 VanDerWaalsContact OE2-NZ 3.1Å
434	F	94.8	Very high	93.8	Very high	67 Å²	67	43.4 Å²	43.4	29%	0.294	24%	0.238	S	C	.	.	H	α-helix	trans	-62.8	-41	176.5	171.9	-101	0	0	0	112.9	R303 L430 L431 K436	R303-F434 HydrophobicContact CB-CD1 4.29Å; R303-F434 HydrophobicContact CB-CD2 3.89Å; R303-F434 HydrophobicContact CB-CE1 4.4Å; R303-F434 HydrophobicContact CB-CE2 4.01Å; R303-F434 HydrophobicContact CB-CG 4.04Å; R303-F434 HydrophobicContact CB-CZ 4.27Å; R303-F434 HydrophobicContact CG-CB 4.39Å; R303-F434 HydrophobicContact CG-CD1 4.35Å; R303-F434 HydrophobicContact CG-CD2 4.45Å; R303-F434 HydrophobicContact CG-CG 4.14Å; R303-F434 WeakPolarHBondContact O-CE2 3.49Å; R303-F434 WeakPolarHBondContact O-CZ 3.23Å; L430-F434 VanDerWaalsContact O-CB 3.28Å; L430-F434 WeakPolarHBondContact O-CB 3.32Å; L430-F434 PolarHBondContact O-N 3.43Å; L431-F434 PolarHBondContact O-N 3.43Å; F434-K436 VanDerWaalsContact C-N 3.34Å
435	Y	94.4	Very high	94	Very high	7 Å²	7	49.5 Å²	49.5	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-85	-7	179.4	-76.6	-76.1	0	0	0	113.9	H271 L274 T275 V279 L431 E433 G437 A438	H271-Y435 AromaticContact CD2-CE2 3.77Å; H271-Y435 AromaticContact NE2-CE2 3.61Å; H271-Y435 AromaticContact NE2-CZ 3.84Å; H271-Y435 PolarHBondContact NE2-OH 3.17Å; L274-Y435 HydrophobicContact CB-CD2 3.82Å; L274-Y435 HydrophobicContact CB-CE2 4.25Å; L274-Y435 HydrophobicContact CB-CG 4.07Å; L274-Y435 HydrophobicContact CD1-CD2 3.55Å; L274-Y435 HydrophobicContact CD1-CE2 4.04Å; L274-Y435 HydrophobicContact CD1-CG 4.44Å; L274-Y435 HydrophobicContact CG-CD2 4.34Å; T275-Y435 HydrophobicContact CG2-CD1 4.23Å; T275-Y435 HydrophobicContact CG2-CE1 3.6Å; V279-Y435 VanDerWaalsContact CG1-OH 3.23Å; V279-Y435 WeakPolarHBondContact CG1-OH 3.37Å; L431-Y435 HydrophobicContact CD2-CE2 4.13Å; L431-Y435 WeakPolarHBondContact O-CD2 3.36Å; L431-Y435 PolarHBondContact O-N 2.83Å; E433-Y435 PolarHBondContact O-N 3.41Å; Y435-G437 PolarHBondContact O-N 2.98Å; Y435-A438 WeakPolarHBondContact O-CB 3.4Å; Y435-A438 PolarHBondContact O-N 2.99Å
436	K	93.1	Very high	94.3	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	128.4	-179	-172.7	177.3	178.6	179.4	0	111.6	A432 E433 F434 A438	A432-K436 PolarHBondContact O-N 3.42Å; E433-K436 VanDerWaalsContact O-CB 3.26Å; E433-K436 WeakPolarHBondContact O-CB 3.49Å; E433-K436 PolarHBondContact O-N 3.07Å; E433-K436 WeakPolarHBondContact OE1-CD 3.18Å; E433-K436 IonicContact OE1-NZ 3.13Å; E433-K436 PolarHBondContact OE1-NZ 2.89Å; E433-K436 WeakPolarHBondContact OE2-CD 3.47Å; E433-K436 IonicContact OE2-NZ 3.82Å; E433-K436 PolarHBondContact OE2-NZ 2.92Å; E433-K436 VanDerWaalsContact OE2-NZ 3.1Å; F434-K436 VanDerWaalsContact C-N 3.34Å; K436-A438 PolarHBondContact O-N 2.78Å
437	G	88	Confident	94.5	Very high	67 Å²	67	52 Å²	52	69%	0.691	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	7.5	-178.2	0	0	0	0	0	114.5	Y435	Y435-G437 PolarHBondContact O-N 2.98Å
438	A	91.4	Very high	94.5	Very high	16 Å²	16	53.6 Å²	53.6	13%	0.132	30%	0.295	C	S	.	.			trans	-67.1	141.6	173.3	0	0	0	0	0	111.3	Y435 K436 D440 L441	Y435-A438 WeakPolarHBondContact O-CB 3.4Å; Y435-A438 PolarHBondContact O-N 2.99Å; K436-A438 PolarHBondContact O-N 2.78Å; A438-D440 WeakPolarHBondContact CB-OD1 3.29Å; A438-D440 PolarHBondContact O-N 2.78Å; A438-L441 HydrophobicContact CB-CB 4.2Å; A438-L441 VanDerWaalsContact O-CB 3.32Å; A438-L441 WeakPolarHBondContact O-CB 3.32Å; A438-L441 PolarHBondContact O-N 2.98Å
439	P	92	Very high	94.3	Very high	138 Å²	138	55 Å²	55	90%	0.896	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-22.8	-177.2	28.3	-35.7	0	0	0	113.3
440	D	93.9	Very high	94.2	Very high	25 Å²	25	59.9 Å²	59.9	13%	0.134	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	6.4	-179.1	61.8	-22.2	0	0	0	112.9	T275 W276 S277 R305 A438 V442	T275-D440 CarbonylContact C-O 3.53Å; T275-D440 VanDerWaalsContact CA-O 3.31Å; T275-D440 WeakPolarHBondContact CA-O 3.4Å; T275-D440 PolarHBondContact OG1-O 2.99Å; T275-D440 VanDerWaalsContact OG1-O 3.13Å; T275-D440 PolarHBondContact OG1-OD2 3.04Å; W276-D440 VanDerWaalsContact CD1-O 3.3Å; W276-D440 PolarHBondContact N-O 2.9Å; S277-D440 WeakPolarHBondContact CB-OD2 3.37Å; S277-D440 PolarHBondContact OG-OD2 3.31Å; R305-D440 IonicContact CZ-OD1 2.88Å; R305-D440 IonicContact NH1-OD1 3.37Å; R305-D440 PolarHBondContact NH1-OD1 2.71Å; R305-D440 IonicContact NH1-OD2 3.52Å; R305-D440 PolarHBondContact NH1-OD2 3.35Å; R305-D440 IonicContact NH2-OD1 3.63Å; A438-D440 WeakPolarHBondContact CB-OD1 3.29Å; A438-D440 PolarHBondContact O-N 2.78Å; D440-V442 PolarHBondContact O-N 3.3Å
441	L	95.4	Very high	94	Very high	13 Å²	13	64.6 Å²	64.6	7%	0.068	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-57.8	134.6	173.6	178.2	60.1	0	0	0	110.1	L274 A438 K443 F444 G486	L274-L441 WeakPolarHBondContact O-CA 3.26Å; L274-L441 WeakPolarHBondContact O-CD1 3.33Å; A438-L441 HydrophobicContact CB-CB 4.2Å; A438-L441 VanDerWaalsContact O-CB 3.32Å; A438-L441 WeakPolarHBondContact O-CB 3.32Å; A438-L441 PolarHBondContact O-N 2.98Å; L441-K443 PolarHBondContact O-N 3.45Å; L441-F444 HydrophobicContact CD1-CE2 4Å; L441-G486 VanDerWaalsContact CD2-O 3.22Å; L441-G486 WeakPolarHBondContact CD2-O 3.17Å
442	V	96.3	Very high	93.9	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.372	C	S	.	.			trans	-65.1	131.8	175.2	173.5	0	0	0	0	109.5	H273 L274 W276 Y377 D440 F444 Y454	H273-V442 WeakPolarHBondContact O-CG2 3.48Å; L274-V442 PolarHBondContact O-N 3.35Å; W276-V442 HydrophobicContact CD2-CG2 4.01Å; W276-V442 HydrophobicContact CE3-CG2 4.27Å; W276-V442 HydrophobicContact CG-CG2 4.42Å; W276-V442 HydrophobicContact CZ2-CG1 4.34Å; W276-V442 HydrophobicContact CZ2-CG2 4.35Å; Y377-V442 HydrophobicContact CE2-CG2 4.05Å; D440-V442 PolarHBondContact O-N 3.3Å; V442-F444 HydrophobicContact CB-CE1 4.33Å; V442-F444 HydrophobicContact CB-CE2 4.22Å; V442-F444 HydrophobicContact CB-CZ 4.04Å; V442-F444 HydrophobicContact CG1-CD1 4.3Å; V442-F444 HydrophobicContact CG1-CE1 4.15Å; V442-F444 HydrophobicContact CG1-CZ 4.36Å; V442-F444 WeakPolarHBondContact O-CD2 3.25Å; V442-F444 WeakPolarHBondContact O-CE2 3.38Å; V442-F444 PolarHBondContact O-N 3.05Å; V442-Y454 HydrophobicContact CG1-CD1 3.92Å; V442-Y454 HydrophobicContact CG1-CG 3.83Å
443	K	95.1	Very high	93.9	Very high	97 Å²	97	69 Å²	69	42%	0.422	38%	0.38	S	S	.	.			trans	-81.2	87.8	177.7	-65.5	179.9	-178.8	177.7	0	110.4	L441 Q445 E446	L441-K443 PolarHBondContact O-N 3.45Å; K443-Q445 PolarHBondContact O-N 3.39Å; K443-E446 HydrophobicContact CB-CB 4.25Å; K443-E446 HydrophobicContact CB-CG 3.77Å; K443-E446 HydrophobicContact CD-CG 4.16Å; K443-E446 WeakPolarHBondContact CD-OE1 3.37Å; K443-E446 IonicContact NZ-OE1 3.55Å; K443-E446 PolarHBondContact NZ-OE1 3.17Å; K443-E446 WeakPolarHBondContact O-CB 3.32Å; K443-E446 PolarHBondContact O-N 3.35Å
444	F	95.5	Very high	94	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	-170.6	-73.9	-71.1	0	0	0	115.1	H273 L274 L441 V442 L455 L458 L483	H273-F444 WeakPolarHBondContact O-CZ 3.32Å; L274-F444 HydrophobicContact CD2-CE2 4.41Å; L274-F444 HydrophobicContact CD2-CZ 3.98Å; L441-F444 HydrophobicContact CD1-CE2 4Å; V442-F444 HydrophobicContact CB-CE1 4.33Å; V442-F444 HydrophobicContact CB-CE2 4.22Å; V442-F444 HydrophobicContact CB-CZ 4.04Å; V442-F444 HydrophobicContact CG1-CD1 4.3Å; V442-F444 HydrophobicContact CG1-CE1 4.15Å; V442-F444 HydrophobicContact CG1-CZ 4.36Å; V442-F444 WeakPolarHBondContact O-CD2 3.25Å; V442-F444 WeakPolarHBondContact O-CE2 3.38Å; V442-F444 PolarHBondContact O-N 3.05Å; F444-L455 HydrophobicContact CB-CB 4.1Å; F444-L455 HydrophobicContact CB-CD1 4.44Å; F444-L455 HydrophobicContact CD1-CB 4.44Å; F444-L455 HydrophobicContact CD1-CD1 4.25Å; F444-L455 WeakPolarHBondContact O-CB 3.14Å; F444-L455 PolarHBondContact O-N 2.85Å; F444-L458 HydrophobicContact CD1-CD2 4.43Å; F444-L458 HydrophobicContact CE1-CD2 3.84Å; F444-L458 HydrophobicContact CZ-CD2 4.46Å; F444-L483 HydrophobicContact CD2-CB 3.75Å; F444-L483 HydrophobicContact CD2-CD1 4.28Å; F444-L483 HydrophobicContact CD2-CD2 4.34Å; F444-L483 HydrophobicContact CD2-CG 4.34Å; F444-L483 HydrophobicContact CE1-CD1 4.22Å; F444-L483 HydrophobicContact CE2-CB 4.08Å; F444-L483 HydrophobicContact CE2-CD1 3.95Å; F444-L483 HydrophobicContact CE2-CD2 3.82Å; F444-L483 HydrophobicContact CE2-CG 4.16Å; F444-L483 HydrophobicContact CG-CB 4.22Å; F444-L483 HydrophobicContact CZ-CD1 3.92Å; F444-L483 HydrophobicContact CZ-CD2 4.4Å
445	Q	94.4	Very high	94.1	Very high	129 Å²	129	63.4 Å²	63.4	60%	0.603	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.8	176.4	-62.5	-170.6	87.6	0	0	113.9	K443 K484	K443-Q445 PolarHBondContact O-N 3.39Å; Q445-K484 HydrophobicContact CG-CG 4.36Å; Q445-K484 PolarHBondContact NE2-O 3.13Å
446	E	95.8	Very high	94.1	Very high	93 Å²	93	65.8 Å²	65.8	44%	0.435	37%	0.366	S	S	.	.	S	Bend	trans	-76.5	155	177.3	-69	-174	174.8	0	0	111.4	K443 W448 T453 Y454	K443-E446 HydrophobicContact CB-CB 4.25Å; K443-E446 HydrophobicContact CB-CG 3.77Å; K443-E446 HydrophobicContact CD-CG 4.16Å; K443-E446 WeakPolarHBondContact CD-OE1 3.37Å; K443-E446 IonicContact NZ-OE1 3.55Å; K443-E446 PolarHBondContact NZ-OE1 3.17Å; K443-E446 WeakPolarHBondContact O-CB 3.32Å; K443-E446 PolarHBondContact O-N 3.35Å; E446-W448 PolarHBondContact O-N 2.88Å; E446-T453 CarbonylContact O-C 3.57Å; E446-T453 VanDerWaalsContact O-CA 3.24Å; E446-T453 WeakPolarHBondContact O-CA 3.4Å; E446-T453 WeakPolarHBondContact O-CB 3.46Å; E446-Y454 HydrophobicContact CB-CD2 4.11Å; E446-Y454 HydrophobicContact CB-CE2 4.36Å; E446-Y454 WeakPolarHBondContact O-CD2 3.39Å; E446-Y454 PolarHBondContact O-N 3.02Å
447	A	96	Very high	94.2	Very high	76 Å²	76	60.7 Å²	60.7	63%	0.628	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-71.4	125.3	178.3	0	0	0	0	0	110.6
448	W	94.6	Very high	94.5	Very high	82 Å²	82	57.5 Å²	57.5	31%	0.311	31%	0.312	S	S	.	.	S	Bend	trans	-89.7	-40.1	169.2	167.2	67.5	0	0	0	110.8	P384 E446 H452 Y454 K457	P384-W448 HydrophobicContact CB-CH2 3.67Å; P384-W448 HydrophobicContact CB-CZ3 3.83Å; E446-W448 PolarHBondContact O-N 2.88Å; W448-H452 HydrophobicContact CE3-CB 4.06Å; W448-H452 HydrophobicContact CZ3-CB 4.48Å; W448-H452 PolarHBondContact N-O 2.9Å; W448-Y454 HydrophobicContact CB-CD1 3.85Å; W448-Y454 HydrophobicContact CB-CD2 4.16Å; W448-Y454 HydrophobicContact CB-CE1 3.88Å; W448-Y454 HydrophobicContact CB-CE2 4.18Å; W448-Y454 HydrophobicContact CB-CG 3.98Å; W448-Y454 AromaticContact CD1-CE1 3.51Å; W448-Y454 AromaticContact CD1-CZ 4Å; W448-Y454 HydrophobicContact CG-CD1 4.21Å; W448-Y454 HydrophobicContact CG-CE1 4.02Å; W448-K457 HydrophobicContact CD2-CB 3.89Å; W448-K457 HydrophobicContact CD2-CD 3.92Å; W448-K457 HydrophobicContact CD2-CG 3.75Å; W448-K457 HydrophobicContact CE3-CB 3.75Å; W448-K457 HydrophobicContact CE3-CD 4.49Å; W448-K457 HydrophobicContact CE3-CG 3.82Å; W448-K457 HydrophobicContact CG-CB 4.24Å; W448-K457 HydrophobicContact CG-CD 4.1Å; W448-K457 HydrophobicContact CG-CG 4.33Å; W448-K457 HydrophobicContact CH2-CG 4.22Å; W448-K457 HydrophobicContact CZ2-CD 4.34Å; W448-K457 HydrophobicContact CZ2-CG 4.15Å; W448-K457 HydrophobicContact CZ3-CB 4.3Å; W448-K457 HydrophobicContact CZ3-CG 4.06Å
449	S	92.4	Very high	94.6	Very high	30 Å²	30	61 Å²	61	21%	0.21	32%	0.324	C	S	.	.	S	Bend	trans	-134.8	171.1	172.6	75.5	0	0	0	0	109.9	E451 H452	S449-E451 PolarHBondContact O-N 3.03Å; S449-H452 PolarHBondContact N-O 3.5Å; S449-H452 PolarHBondContact O-N 3.44Å; S449-H452 VanDerWaalsContact O-O 3.12Å; S449-H452 WeakPolarHBondContact OG-CB 3.34Å; S449-H452 PolarHBondContact OG-N 3.47Å; S449-H452 PolarHBondContact OG-ND1 3.33Å
450	P	92	Very high	94.7	Very high	143 Å²	143	57 Å²	57	93%	0.929	29%	0.294	S	S	*	.	S	Bend	trans	-55.6	-25.1	179.3	-27	36.1	0	0	0	114.4
451	E	92.3	Very high	94.7	Very high	164 Å²	164	55.8 Å²	55.8	77%	0.766	29%	0.288	S	S	*	.	S	Bend	trans	-108.1	-17.5	-175	-65.7	177	-176.5	0	0	113.5	S449	S449-E451 PolarHBondContact O-N 3.03Å
452	H	94.3	Very high	94.6	Very high	62 Å²	62	55.9 Å²	55.9	29%	0.287	29%	0.288	S	S	.	.			trans	-134.9	137.6	-168.1	-60.6	89.9	0	0	0	112.3	W448 S449 D456	W448-H452 HydrophobicContact CE3-CB 4.06Å; W448-H452 HydrophobicContact CZ3-CB 4.48Å; W448-H452 PolarHBondContact N-O 2.9Å; S449-H452 PolarHBondContact N-O 3.5Å; S449-H452 PolarHBondContact O-N 3.44Å; S449-H452 VanDerWaalsContact O-O 3.12Å; S449-H452 WeakPolarHBondContact OG-CB 3.34Å; S449-H452 PolarHBondContact OG-N 3.47Å; S449-H452 PolarHBondContact OG-ND1 3.33Å; H452-D456 HydrophobicContact CB-CB 4.03Å
453	T	96.4	Very high	94.3	Very high	39 Å²	39	59 Å²	59	24%	0.239	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-77.7	167.8	167.9	65.1	0	0	0	0	111.7	E446 L455 D456 K457	E446-T453 CarbonylContact O-C 3.57Å; E446-T453 VanDerWaalsContact O-CA 3.24Å; E446-T453 WeakPolarHBondContact O-CA 3.4Å; E446-T453 WeakPolarHBondContact O-CB 3.46Å; T453-L455 PolarHBondContact O-N 3.11Å; T453-L455 PolarHBondContact OG1-N 3.36Å; T453-D456 WeakPolarHBondContact CB-OD2 3.31Å; T453-D456 PolarHBondContact N-OD2 3.02Å; T453-D456 PolarHBondContact O-N 3.44Å; T453-D456 VanDerWaalsContact O-N 3.12Å; T453-D456 PolarHBondContact OG1-N 3.36Å; T453-D456 VanDerWaalsContact OG1-N 3.15Å; T453-D456 PolarHBondContact OG1-OD2 2.79Å; T453-K457 PolarHBondContact O-N 3.15Å
454	Y	96.6	Very high	93.8	Very high	39 Å²	39	57.5 Å²	57.5	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-57.9	-32.9	169.6	-79.5	-74.9	0	0	0	112.6	W276 Y377 V442 E446 W448 L458	W276-Y454 HydrophobicContact CH2-CD1 4.33Å; W276-Y454 AromaticContact CH2-CE1 3.48Å; W276-Y454 HydrophobicContact CH2-CE1 3.48Å; W276-Y454 VanDerWaalsContact CH2-CE1 3.48Å; W276-Y454 HydrophobicContact CH2-CE2 4.37Å; W276-Y454 AromaticContact CH2-CZ 3.52Å; W276-Y454 WeakPolarHBondContact CH2-OH 3.39Å; W276-Y454 HydrophobicContact CZ2-CE1 4.19Å; W276-Y454 HydrophobicContact CZ2-CE2 4.42Å; W276-Y454 AromaticContact CZ2-CZ 3.99Å; W276-Y454 HydrophobicContact CZ3-CE1 4.34Å; Y377-Y454 HydrophobicContact CD1-CD1 4.02Å; Y377-Y454 AromaticContact CD1-CE1 3.82Å; Y377-Y454 HydrophobicContact CD1-CE1 3.82Å; Y377-Y454 AromaticContact CE1-CD1 3.55Å; Y377-Y454 HydrophobicContact CE1-CD1 3.55Å; Y377-Y454 AromaticContact CE1-CE1 3.82Å; Y377-Y454 HydrophobicContact CE1-CE1 3.82Å; V442-Y454 HydrophobicContact CG1-CD1 3.92Å; V442-Y454 HydrophobicContact CG1-CG 3.83Å; E446-Y454 HydrophobicContact CB-CD2 4.11Å; E446-Y454 HydrophobicContact CB-CE2 4.36Å; E446-Y454 WeakPolarHBondContact O-CD2 3.39Å; E446-Y454 PolarHBondContact O-N 3.02Å; W448-Y454 HydrophobicContact CB-CD1 3.85Å; W448-Y454 HydrophobicContact CB-CD2 4.16Å; W448-Y454 HydrophobicContact CB-CE1 3.88Å; W448-Y454 HydrophobicContact CB-CE2 4.18Å; W448-Y454 HydrophobicContact CB-CG 3.98Å; W448-Y454 AromaticContact CD1-CE1 3.51Å; W448-Y454 AromaticContact CD1-CZ 4Å; W448-Y454 HydrophobicContact CG-CD1 4.21Å; W448-Y454 HydrophobicContact CG-CE1 4.02Å; Y454-L458 PolarHBondContact O-N 3.3Å
455	L	95.8	Very high	93.3	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-41.3	173.5	-171.8	63.3	0	0	0	112.4	F444 T453 L458 K459 C480 K484	F444-L455 HydrophobicContact CB-CB 4.1Å; F444-L455 HydrophobicContact CB-CD1 4.44Å; F444-L455 HydrophobicContact CD1-CB 4.44Å; F444-L455 HydrophobicContact CD1-CD1 4.25Å; F444-L455 WeakPolarHBondContact O-CB 3.14Å; F444-L455 PolarHBondContact O-N 2.85Å; T453-L455 PolarHBondContact O-N 3.11Å; T453-L455 PolarHBondContact OG1-N 3.36Å; L455-L458 HydrophobicContact CD1-CD2 4.38Å; L455-L458 PolarHBondContact O-N 3.35Å; L455-K459 WeakPolarHBondContact O-CG 3.3Å; L455-K459 PolarHBondContact O-N 3.04Å; L455-C480 HydrophobicContact CD1-CB 4.09Å; L455-C480 HydrophobicContact CD2-CB 4.47Å; L455-K484 HydrophobicContact CD2-CD 4.09Å; L455-K484 HydrophobicContact CD2-CG 3.89Å
456	D	94.4	Very high	92.5	Very high	56 Å²	56	54 Å²	54	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-43.2	179	-58.1	-44.7	0	0	0	110.4	H452 T453 L458 K459 I460	H452-D456 HydrophobicContact CB-CB 4.03Å; T453-D456 WeakPolarHBondContact CB-OD2 3.31Å; T453-D456 PolarHBondContact N-OD2 3.02Å; T453-D456 PolarHBondContact O-N 3.44Å; T453-D456 VanDerWaalsContact O-N 3.12Å; T453-D456 PolarHBondContact OG1-N 3.36Å; T453-D456 VanDerWaalsContact OG1-N 3.15Å; T453-D456 PolarHBondContact OG1-OD2 2.79Å; D456-L458 PolarHBondContact O-N 3Å; D456-K459 PolarHBondContact O-N 3.3Å; D456-I460 VanDerWaalsContact O-CG1 3.26Å; D456-I460 WeakPolarHBondContact O-CG1 3.11Å; D456-I460 PolarHBondContact O-N 3.21Å
457	K	95.3	Very high	91.5	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-56.4	-47.5	172.8	-173.8	-139.4	176.3	-70.4	0	112	H273 P376 Y377 P384 W448 T453 K459 I460 S461	H273-K457 PolarHBondContact NE2-NZ 3.05Å; P376-K457 WeakPolarHBondContact O-CE 3.44Å; P376-K457 PolarHBondContact O-NZ 3.09Å; Y377-K457 HydrophobicContact CD1-CD 3.67Å; Y377-K457 VanDerWaalsContact CD1-CE 3.46Å; Y377-K457 HydrophobicContact CE1-CD 3.53Å; P384-K457 HydrophobicContact CB-CG 4.16Å; P384-K457 WeakPolarHBondContact O-CE 3.36Å; P384-K457 WeakPolarHBondContact O-CG 3.48Å; P384-K457 PolarHBondContact O-NZ 3.19Å; W448-K457 HydrophobicContact CD2-CB 3.89Å; W448-K457 HydrophobicContact CD2-CD 3.92Å; W448-K457 HydrophobicContact CD2-CG 3.75Å; W448-K457 HydrophobicContact CE3-CB 3.75Å; W448-K457 HydrophobicContact CE3-CD 4.49Å; W448-K457 HydrophobicContact CE3-CG 3.82Å; W448-K457 HydrophobicContact CG-CB 4.24Å; W448-K457 HydrophobicContact CG-CD 4.1Å; W448-K457 HydrophobicContact CG-CG 4.33Å; W448-K457 HydrophobicContact CH2-CG 4.22Å; W448-K457 HydrophobicContact CZ2-CD 4.34Å; W448-K457 HydrophobicContact CZ2-CG 4.15Å; W448-K457 HydrophobicContact CZ3-CB 4.3Å; W448-K457 HydrophobicContact CZ3-CG 4.06Å; T453-K457 PolarHBondContact O-N 3.15Å; K457-K459 VanDerWaalsContact C-N 3.34Å; K457-K459 PolarHBondContact O-N 2.87Å; K457-I460 PolarHBondContact O-N 2.72Å; K457-S461 WeakPolarHBondContact O-CB 3.48Å; K457-S461 PolarHBondContact O-N 2.77Å
458	L	95.7	Very high	90.4	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-49.1	175.5	168.6	61.7	0	0	0	111	F270 H273 F444 Y454 L455 D456 I460 S461 L462 L483	F270-L458 HydrophobicContact CD2-CD1 4.24Å; F270-L458 HydrophobicContact CD2-CD2 4.19Å; F270-L458 HydrophobicContact CE2-CD2 4.26Å; H273-L458 HydrophobicContact CB-CD1 3.67Å; F444-L458 HydrophobicContact CD1-CD2 4.43Å; F444-L458 HydrophobicContact CE1-CD2 3.84Å; F444-L458 HydrophobicContact CZ-CD2 4.46Å; Y454-L458 PolarHBondContact O-N 3.3Å; L455-L458 HydrophobicContact CD1-CD2 4.38Å; L455-L458 PolarHBondContact O-N 3.35Å; D456-L458 PolarHBondContact O-N 3Å; L458-I460 PolarHBondContact O-N 3.02Å; L458-S461 PolarHBondContact O-N 3.2Å; L458-L462 HydrophobicContact CD1-CD1 3.72Å; L458-L462 HydrophobicContact CD1-CD2 4.42Å; L458-L462 HydrophobicContact CD1-CG 3.81Å; L458-L462 HydrophobicContact CG-CD1 4.09Å; L458-L462 HydrophobicContact CG-CG 4.46Å; L458-L462 WeakPolarHBondContact O-CB 3.4Å; L458-L462 WeakPolarHBondContact O-CG 3.4Å; L458-L462 PolarHBondContact O-N 3.19Å; L458-L483 HydrophobicContact CD2-CD1 3.76Å
459	K	93.3	Very high	89.1	Confident	90 Å²	90	54.1 Å²	54.1	39%	0.391	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-43.6	179.5	-72.4	173.7	175.7	-175.9	0	112.4	L455 D456 K457 L462 A463	L455-K459 WeakPolarHBondContact O-CG 3.3Å; L455-K459 PolarHBondContact O-N 3.04Å; D456-K459 PolarHBondContact O-N 3.3Å; K457-K459 VanDerWaalsContact C-N 3.34Å; K457-K459 PolarHBondContact O-N 2.87Å; K459-L462 PolarHBondContact O-N 3.04Å; K459-A463 WeakPolarHBondContact O-CB 3.48Å; K459-A463 PolarHBondContact O-N 2.9Å
460	I	93.4	Very high	87.8	Confident	53 Å²	53	59.5 Å²	59.5	27%	0.272	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-45.4	177.9	-64	161.2	0	0	0	110.2	P384 D456 K457 L458 L462 A463 S464	P384-I460 HydrophobicContact CB-CB 4.32Å; P384-I460 HydrophobicContact CB-CD1 4.41Å; P384-I460 HydrophobicContact CB-CG2 4Å; P384-I460 HydrophobicContact CG-CB 4.25Å; P384-I460 HydrophobicContact CG-CD1 4.41Å; P384-I460 HydrophobicContact CG-CG2 3.42Å; P384-I460 VanDerWaalsContact CG-CG2 3.42Å; D456-I460 VanDerWaalsContact O-CG1 3.26Å; D456-I460 WeakPolarHBondContact O-CG1 3.11Å; D456-I460 PolarHBondContact O-N 3.21Å; K457-I460 PolarHBondContact O-N 2.72Å; L458-I460 PolarHBondContact O-N 3.02Å; I460-L462 PolarHBondContact O-N 2.9Å; I460-A463 WeakPolarHBondContact O-CB 3.48Å; I460-A463 PolarHBondContact O-N 2.81Å; I460-S464 PolarHBondContact O-N 2.92Å
461	S	94.3	Very high	86.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-47.4	177.2	-165.9	0	0	0	0	111.8	D269 S386 K457 L458 A463 S464 R465	D269-S461 PolarHBondContact OD1-OG 3.15Å; D269-S461 WeakPolarHBondContact OD2-CB 3.31Å; D269-S461 PolarHBondContact OD2-OG 3.4Å; S386-S461 PolarHBondContact N-OG 3.21Å; S386-S461 PolarHBondContact OG-OG 3Å; K457-S461 WeakPolarHBondContact O-CB 3.48Å; K457-S461 PolarHBondContact O-N 2.77Å; L458-S461 PolarHBondContact O-N 3.2Å; S461-A463 PolarHBondContact O-N 2.91Å; S461-S464 PolarHBondContact O-N 2.93Å; S461-S464 PolarHBondContact O-OG 3.32Å; S461-R465 WeakPolarHBondContact O-CD 3.4Å
462	L	93.1	Very high	84.7	Confident	15 Å²	15	50.6 Å²	50.6	8%	0.079	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-34.1	178.6	-69.7	-176.2	0	0	0	113.4	F266 D269 F270 M428 L458 K459 I460 S464 R465 T466	F266-L462 HydrophobicContact CD2-CB 4.2Å; F266-L462 HydrophobicContact CD2-CD2 4.01Å; F266-L462 HydrophobicContact CE2-CB 3.66Å; F266-L462 HydrophobicContact CE2-CD1 4.23Å; F266-L462 HydrophobicContact CE2-CD2 4.06Å; F266-L462 HydrophobicContact CE2-CG 4.19Å; F266-L462 HydrophobicContact CG-CD2 4.28Å; F266-L462 HydrophobicContact CZ-CB 4.23Å; F266-L462 HydrophobicContact CZ-CD1 3.97Å; F266-L462 HydrophobicContact CZ-CD2 4.34Å; F266-L462 HydrophobicContact CZ-CG 4.41Å; F266-L462 WeakPolarHBondContact O-CD2 3.4Å; D269-L462 HydrophobicContact CB-CD2 4.05Å; F270-L462 HydrophobicContact CB-CD1 4.42Å; F270-L462 HydrophobicContact CB-CD2 4.1Å; F270-L462 HydrophobicContact CD2-CD1 4.17Å; M428-L462 HydrophobicContact CE-CD1 4.43Å; L458-L462 HydrophobicContact CD1-CD1 3.72Å; L458-L462 HydrophobicContact CD1-CD2 4.42Å; L458-L462 HydrophobicContact CD1-CG 3.81Å; L458-L462 HydrophobicContact CG-CD1 4.09Å; L458-L462 HydrophobicContact CG-CG 4.46Å; L458-L462 WeakPolarHBondContact O-CB 3.4Å; L458-L462 WeakPolarHBondContact O-CG 3.4Å; L458-L462 PolarHBondContact O-N 3.19Å; K459-L462 PolarHBondContact O-N 3.04Å; I460-L462 PolarHBondContact O-N 2.9Å; L462-S464 PolarHBondContact O-N 3.38Å; L462-R465 CarbonylContact O-C 3.27Å; L462-R465 PolarHBondContact O-N 3.4Å; L462-T466 PolarHBondContact O-N 3.12Å; L462-T466 PolarHBondContact O-OG1 3.48Å
463	A	89.9	Confident	83.3	Confident	66 Å²	66	50.7 Å²	50.7	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-58	-37.9	177.5	0	0	0	0	0	111.8	K459 I460 S461 R465 T466	K459-A463 WeakPolarHBondContact O-CB 3.48Å; K459-A463 PolarHBondContact O-N 2.9Å; I460-A463 WeakPolarHBondContact O-CB 3.48Å; I460-A463 PolarHBondContact O-N 2.81Å; S461-A463 PolarHBondContact O-N 2.91Å; A463-R465 PolarHBondContact O-N 2.87Å; A463-R465 VanDerWaalsContact O-N 3.08Å; A463-T466 WeakPolarHBondContact CA-OG1 3.35Å; A463-T466 PolarHBondContact O-N 3.16Å; A463-T466 PolarHBondContact O-OG1 3.27Å
464	S	84.8	Confident	82	Confident	65 Å²	65	55.7 Å²	55.7	46%	0.455	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.5	176.7	74.7	0	0	0	0	114.4	I460 S461 L462	I460-S464 PolarHBondContact O-N 2.92Å; S461-S464 PolarHBondContact O-N 2.93Å; S461-S464 PolarHBondContact O-OG 3.32Å; L462-S464 PolarHBondContact O-N 3.38Å
465	R	84.6	Confident	80.8	Confident	21 Å²	21	56.9 Å²	56.9	8%	0.079	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	12.8	-174	-61.6	140.9	-175.9	-99.6	-0.2	112.8	L265 F266 D269 S386 S461 L462 A463	L265-R465 HydrophobicContact CB-CG 4.42Å; L265-R465 PolarHBondContact O-NH1 3.24Å; F266-R465 HydrophobicContact CB-CB 4.47Å; F266-R465 HydrophobicContact CD2-CB 4.46Å; D269-R465 WeakPolarHBondContact OD2-CD 3.09Å; D269-R465 IonicContact OD2-CZ 3.48Å; D269-R465 IonicContact OD2-NE 3.87Å; D269-R465 PolarHBondContact OD2-NE 3.3Å; D269-R465 IonicContact OD2-NH1 3.1Å; S386-R465 PolarHBondContact O-NH2 3.37Å; S461-R465 WeakPolarHBondContact O-CD 3.4Å; L462-R465 CarbonylContact O-C 3.27Å; L462-R465 PolarHBondContact O-N 3.4Å; A463-R465 PolarHBondContact O-N 2.87Å; A463-R465 VanDerWaalsContact O-N 3.08Å
466	T	78.7	Confident	79.9	Confident	35 Å²	35	58.4 Å²	58.4	22%	0.215	32%	0.32	C	S	.	.			trans	-77.4	140.5	-173.3	-55	0	0	0	0	111.1	Q416 L462 A463	Q416-T466 PolarHBondContact NE2-O 3.33Å; Q416-T466 VanDerWaalsContact NE2-O 3.08Å; L462-T466 PolarHBondContact O-N 3.12Å; L462-T466 PolarHBondContact O-OG1 3.48Å; A463-T466 WeakPolarHBondContact CA-OG1 3.35Å; A463-T466 PolarHBondContact O-N 3.16Å; A463-T466 PolarHBondContact O-OG1 3.27Å
467	P	73.8	Confident	79.4	Confident	4 Å²	4	61 Å²	61	3%	0.026	33%	0.33	C	S	.	.			trans	-56	166.7	169.3	-28.7	38.3	0	0	0	113.7	N263 D417 L420 D469	N263-P467 WeakPolarHBondContact OD1-CG 3.37Å; D417-P467 HydrophobicContact CB-CB 4.3Å; D417-P467 HydrophobicContact CB-CG 4.34Å; D417-P467 WeakPolarHBondContact O-CA 3.34Å; D417-P467 VanDerWaalsContact O-CB 3.29Å; D417-P467 WeakPolarHBondContact O-CB 3.29Å; L420-P467 HydrophobicContact CB-CG 4.19Å; P467-D469 PolarHBondContact O-N 2.99Å
468	K	72.7	Confident	78.9	Confident	143 Å²	143	66.5 Å²	66.5	62%	0.622	36%	0.356	S	S	*	.	S	Bend	trans	-63.4	-39.8	-174.1	-67.7	-177.3	-179.4	178.7	0	114.1	Q416 D417	Q416-K468 VanDerWaalsContact CD-CG 3.47Å; Q416-K468 HydrophobicContact CG-CG 3.96Å; Q416-K468 VanDerWaalsContact OE1-CE 3.32Å; D417-K468 PolarHBondContact O-N 2.94Å
469	D	68.6	Low	78.5	Confident	106 Å²	106	66.7 Å²	66.7	57%	0.567	36%	0.357	S	S	*	.			trans	-92.6	125.2	179	-169.8	-1.4	0	0	0	111.4	S418 P467 G471	S418-D469 VanDerWaalsContact O-CB 3.28Å; S418-D469 WeakPolarHBondContact O-CB 3.42Å; S418-D469 PolarHBondContact O-N 2.91Å; P467-D469 PolarHBondContact O-N 2.99Å; D469-G471 PolarHBondContact OD1-N 3.33Å
470	Q	63.6	Low	78.2	Confident	143 Å²	143	63.1 Å²	63.1	67%	0.668	34%	0.344	S	S	*	.			trans	-93.9	14.1	-176.2	-65	-177.9	1	0	0	113.5	M472 C473	Q470-M472 PolarHBondContact O-N 3.19Å; Q470-C473 PolarHBondContact O-N 3.28Å; Q470-C473 PolarHBondContact O-SG 3.01Å; Q470-C473 VanDerWaalsContact O-SG 3.39Å
471	G	60.1	Low	78	Confident	56 Å²	56	63.2 Å²	63.2	58%	0.577	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-3	-179.7	0	0	0	0	0	116.8	D469	D469-G471 PolarHBondContact OD1-N 3.33Å
472	M	60.3	Low	77.7	Confident	63 Å²	63	65.3 Å²	65.3	31%	0.31	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	12	-174.8	-62.6	-63	174.8	0	0	115	L420 L425 Q470 H474 M475 L476	L420-M472 HydrophobicContact CB-CG 4.48Å; L425-M472 HydrophobicContact CD1-CB 4.44Å; L425-M472 HydrophobicContact CD1-CG 4.36Å; L425-M472 HydrophobicContact CD1-SD 4.19Å; Q470-M472 PolarHBondContact O-N 3.19Å; M472-H474 PolarHBondContact O-N 3.24Å; M472-H474 VanDerWaalsContact O-N 3.12Å; M472-M475 PolarHBondContact O-N 2.85Å; M472-M475 HydrophobicContact SD-CE 3.73Å; M472-L476 PolarHBondContact O-N 3.37Å
473	C	65.2	Low	77.6	Confident	64 Å²	64	64.9 Å²	64.9	43%	0.432	36%	0.357	S	S	.	.	H	α-helix	trans	-47.6	-41.9	175.7	-72.5	0	0	0	0	112.6	Q470 M475 L476 E477	Q470-C473 PolarHBondContact O-N 3.28Å; Q470-C473 PolarHBondContact O-SG 3.01Å; Q470-C473 VanDerWaalsContact O-SG 3.39Å; C473-M475 PolarHBondContact O-N 3.16Å; C473-L476 PolarHBondContact O-N 2.72Å; C473-E477 WeakPolarHBondContact O-CB 3.47Å; C473-E477 VanDerWaalsContact O-CG 3.26Å; C473-E477 WeakPolarHBondContact O-CG 3.38Å; C473-E477 PolarHBondContact O-N 3.03Å
474	H	69.3	Low	77.4	Confident	145 Å²	145	66.3 Å²	66.3	67%	0.671	35%	0.351	S	S	*	.	H	α-helix	trans	-65.3	-36.5	-179.2	-66.9	-50.3	0	0	0	114.6	M472 E477 Q478	M472-H474 PolarHBondContact O-N 3.24Å; M472-H474 VanDerWaalsContact O-N 3.12Å; H474-E477 IonicContact ND1-OE2 3.03Å; H474-E477 PolarHBondContact ND1-OE2 3.16Å; H474-E477 WeakPolarHBondContact O-CB 3.12Å; H474-E477 PolarHBondContact O-N 2.88Å; H474-Q478 PolarHBondContact O-N 3.02Å
475	M	70.4	Confident	77.3	Confident	63 Å²	63	70.6 Å²	70.6	31%	0.31	36%	0.363	S	S	.	.	H	α-helix	trans	-75.4	-35	177.4	-76.7	-142.1	-93.3	0	0	111.8	N422 L425 M472 C473 E477 Q478 V479	N422-M475 VanDerWaalsContact OD1-CE 3.29Å; N422-M475 WeakPolarHBondContact OD1-CE 3.44Å; L425-M475 HydrophobicContact CD1-CB 3.83Å; L425-M475 HydrophobicContact CD1-CE 3.22Å; L425-M475 HydrophobicContact CD1-CG 4.31Å; L425-M475 HydrophobicContact CD1-SD 3.86Å; L425-M475 HydrophobicContact CD2-CB 4.09Å; L425-M475 HydrophobicContact CG-CE 4.5Å; M472-M475 PolarHBondContact O-N 2.85Å; M472-M475 HydrophobicContact SD-CE 3.73Å; C473-M475 PolarHBondContact O-N 3.16Å; M475-E477 VanDerWaalsContact C-N 3.31Å; M475-Q478 WeakPolarHBondContact O-CB 3.03Å; M475-Q478 PolarHBondContact O-N 3.08Å; M475-V479 PolarHBondContact O-N 3.19Å
476	L	77.3	Confident	76.7	Confident	37 Å²	37	70.3 Å²	70.3	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-65.1	-37.4	171.6	-69.7	174.9	0	0	0	111.8	F266 L420 L425 M428 M472 C473 Q478 V479 C480	F266-L476 HydrophobicContact CE1-CD2 3.95Å; F266-L476 HydrophobicContact CZ-CD1 3.97Å; F266-L476 HydrophobicContact CZ-CD2 3.59Å; F266-L476 HydrophobicContact CZ-CG 4.45Å; L420-L476 HydrophobicContact CD2-CD1 4.48Å; L420-L476 HydrophobicContact CD2-CD2 4.2Å; L420-L476 HydrophobicContact CD2-CG 4.42Å; L425-L476 HydrophobicContact CD2-CD2 3.92Å; L425-L476 HydrophobicContact CD2-CG 4.36Å; M428-L476 HydrophobicContact CE-CD2 3.66Å; M428-L476 HydrophobicContact SD-CD2 3.93Å; M472-L476 PolarHBondContact O-N 3.37Å; C473-L476 PolarHBondContact O-N 2.72Å; L476-Q478 VanDerWaalsContact C-N 3.31Å; L476-Q478 PolarHBondContact O-N 3.39Å; L476-V479 PolarHBondContact O-N 2.89Å; L476-C480 WeakPolarHBondContact O-CB 3.34Å; L476-C480 PolarHBondContact O-N 2.68Å; L476-C480 PolarHBondContact O-SG 2.74Å
477	E	83.4	Confident	76	Confident	110 Å²	110	71.6 Å²	71.6	51%	0.514	38%	0.378	S	S	.	.	H	α-helix	trans	-60.6	-40.6	171.1	-75.9	170.1	172.3	0	0	112	C473 H474 M475 C480 S481	C473-E477 WeakPolarHBondContact O-CB 3.47Å; C473-E477 VanDerWaalsContact O-CG 3.26Å; C473-E477 WeakPolarHBondContact O-CG 3.38Å; C473-E477 PolarHBondContact O-N 3.03Å; H474-E477 IonicContact ND1-OE2 3.03Å; H474-E477 PolarHBondContact ND1-OE2 3.16Å; H474-E477 WeakPolarHBondContact O-CB 3.12Å; H474-E477 PolarHBondContact O-N 2.88Å; M475-E477 VanDerWaalsContact C-N 3.31Å; E477-C480 PolarHBondContact O-N 2.94Å; E477-S481 WeakPolarHBondContact O-CB 3.34Å; E477-S481 PolarHBondContact O-N 3.11Å
478	Q	84.9	Confident	76.1	Confident	117 Å²	117	75 Å²	75	55%	0.547	40%	0.395	S	S	.	.	H	α-helix	trans	-61.9	-48.2	175.7	-175.7	-179.8	-2.8	0	0	111.5	H474 M475 L476 C480 S481 M482	H474-Q478 PolarHBondContact O-N 3.02Å; M475-Q478 WeakPolarHBondContact O-CB 3.03Å; M475-Q478 PolarHBondContact O-N 3.08Å; L476-Q478 VanDerWaalsContact C-N 3.31Å; L476-Q478 PolarHBondContact O-N 3.39Å; Q478-C480 VanDerWaalsContact C-N 3.33Å; Q478-C480 PolarHBondContact O-N 3.22Å; Q478-S481 WeakPolarHBondContact O-CB 3.18Å; Q478-S481 PolarHBondContact O-N 3.15Å; Q478-S481 VanDerWaalsContact O-N 3.13Å; Q478-M482 WeakPolarHBondContact O-CG 3.39Å; Q478-M482 PolarHBondContact O-N 3.44Å
479	V	87.1	Confident	76.3	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.024	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-43.9	176.1	177.1	0	0	0	0	110.7	F270 M428 V429 M475 L476 S481 M482 L483	F270-V479 HydrophobicContact CE2-CG1 3.75Å; F270-V479 HydrophobicContact CZ-CG1 3.54Å; M428-V479 HydrophobicContact CB-CG1 4.24Å; M428-V479 HydrophobicContact CB-CG2 4.24Å; M428-V479 HydrophobicContact CE-CG1 4.28Å; V429-V479 HydrophobicContact CG2-CG2 3.87Å; M475-V479 PolarHBondContact O-N 3.19Å; L476-V479 PolarHBondContact O-N 2.89Å; V479-S481 VanDerWaalsContact C-N 3.27Å; V479-S481 PolarHBondContact O-N 2.67Å; V479-M482 WeakPolarHBondContact O-CB 3.48Å; V479-M482 PolarHBondContact O-N 3.04Å; V479-M482 VanDerWaalsContact O-N 3.14Å; V479-L483 WeakPolarHBondContact O-CG 3.47Å; V479-L483 PolarHBondContact O-N 2.91Å
480	C	87.9	Confident	76.7	Confident	16 Å²	16	69.4 Å²	69.4	11%	0.108	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-37.3	175.4	-70.2	0	0	0	0	112.3	L455 L476 E477 Q478 L483 K484	L455-C480 HydrophobicContact CD1-CB 4.09Å; L455-C480 HydrophobicContact CD2-CB 4.47Å; L476-C480 WeakPolarHBondContact O-CB 3.34Å; L476-C480 PolarHBondContact O-N 2.68Å; L476-C480 PolarHBondContact O-SG 2.74Å; E477-C480 PolarHBondContact O-N 2.94Å; Q478-C480 VanDerWaalsContact C-N 3.33Å; Q478-C480 PolarHBondContact O-N 3.22Å; C480-L483 PolarHBondContact O-N 2.74Å; C480-K484 WeakPolarHBondContact O-CG 3.35Å; C480-K484 PolarHBondContact O-N 3.04Å; C480-K484 VanDerWaalsContact O-N 3.12Å
481	S	88.3	Confident	77.5	Confident	54 Å²	54	65.1 Å²	65.1	38%	0.378	36%	0.356	S	S	.	.	H	α-helix	trans	-65.6	-40.3	175.5	-171.1	0	0	0	0	111.6	E477 Q478 V479 L483 K484 Q485	E477-S481 WeakPolarHBondContact O-CB 3.34Å; E477-S481 PolarHBondContact O-N 3.11Å; Q478-S481 WeakPolarHBondContact O-CB 3.18Å; Q478-S481 PolarHBondContact O-N 3.15Å; Q478-S481 VanDerWaalsContact O-N 3.13Å; V479-S481 VanDerWaalsContact C-N 3.27Å; V479-S481 PolarHBondContact O-N 2.67Å; S481-L483 VanDerWaalsContact C-N 3.35Å; S481-L483 PolarHBondContact O-N 2.96Å; S481-K484 PolarHBondContact O-N 3.09Å; S481-Q485 WeakPolarHBondContact O-CG 3.41Å; S481-Q485 PolarHBondContact O-N 3.4Å; S481-Q485 PolarHBondContact OG-NE2 3.21Å
482	M	88.3	Confident	78.6	Confident	45 Å²	45	65.7 Å²	65.7	22%	0.222	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-44.5	173.4	-67.2	177.9	62.5	0	0	111.5	V429 A432 Q478 V479 K484 Q485 G486	V429-M482 HydrophobicContact CG1-CE 4.07Å; V429-M482 HydrophobicContact CG1-SD 4.2Å; V429-M482 HydrophobicContact CG2-SD 4.37Å; A432-M482 HydrophobicContact CB-CE 4.34Å; Q478-M482 WeakPolarHBondContact O-CG 3.39Å; Q478-M482 PolarHBondContact O-N 3.44Å; V479-M482 WeakPolarHBondContact O-CB 3.48Å; V479-M482 PolarHBondContact O-N 3.04Å; V479-M482 VanDerWaalsContact O-N 3.14Å; M482-K484 VanDerWaalsContact C-N 3.32Å; M482-K484 PolarHBondContact O-N 2.84Å; M482-Q485 PolarHBondContact O-N 2.9Å; M482-Q485 VanDerWaalsContact O-N 3.15Å; M482-G486 PolarHBondContact O-N 2.69Å
483	L	90.1	Very high	79.8	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-60.8	-40.1	177.8	-68.1	-178.4	0	0	0	112.3	F270 L274 A432 F444 L458 V479 C480 S481 Q485 G486 S487	F270-L483 HydrophobicContact CE2-CD1 3.84Å; F270-L483 HydrophobicContact CZ-CD1 4.28Å; L274-L483 HydrophobicContact CD2-CD1 4.21Å; L274-L483 HydrophobicContact CD2-CD2 3.81Å; A432-L483 HydrophobicContact CB-CD2 3.88Å; F444-L483 HydrophobicContact CD2-CB 3.75Å; F444-L483 HydrophobicContact CD2-CD1 4.28Å; F444-L483 HydrophobicContact CD2-CD2 4.34Å; F444-L483 HydrophobicContact CD2-CG 4.34Å; F444-L483 HydrophobicContact CE1-CD1 4.22Å; F444-L483 HydrophobicContact CE2-CB 4.08Å; F444-L483 HydrophobicContact CE2-CD1 3.95Å; F444-L483 HydrophobicContact CE2-CD2 3.82Å; F444-L483 HydrophobicContact CE2-CG 4.16Å; F444-L483 HydrophobicContact CG-CB 4.22Å; F444-L483 HydrophobicContact CZ-CD1 3.92Å; F444-L483 HydrophobicContact CZ-CD2 4.4Å; L458-L483 HydrophobicContact CD2-CD1 3.76Å; V479-L483 WeakPolarHBondContact O-CG 3.47Å; V479-L483 PolarHBondContact O-N 2.91Å; C480-L483 PolarHBondContact O-N 2.74Å; S481-L483 VanDerWaalsContact C-N 3.35Å; S481-L483 PolarHBondContact O-N 2.96Å; L483-Q485 VanDerWaalsContact C-N 3.31Å; L483-Q485 PolarHBondContact O-N 3.44Å; L483-G486 PolarHBondContact O-N 3.43Å; L483-S487 VanDerWaalsContact O-CB 3.24Å; L483-S487 WeakPolarHBondContact O-CB 3.3Å; L483-S487 PolarHBondContact O-N 2.78Å; L483-S487 VanDerWaalsContact O-N 3.11Å; L483-S487 PolarHBondContact O-OG 3.03Å
484	K	86.1	Confident	80.9	Confident	95 Å²	95	66 Å²	66	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-34.6	175.7	-71.1	-178.9	-179	-170.6	0	113.5	Q445 L455 C480 S481 M482 S487	Q445-K484 HydrophobicContact CG-CG 4.36Å; Q445-K484 PolarHBondContact NE2-O 3.13Å; L455-K484 HydrophobicContact CD2-CD 4.09Å; L455-K484 HydrophobicContact CD2-CG 3.89Å; C480-K484 WeakPolarHBondContact O-CG 3.35Å; C480-K484 PolarHBondContact O-N 3.04Å; C480-K484 VanDerWaalsContact O-N 3.12Å; S481-K484 PolarHBondContact O-N 3.09Å; M482-K484 VanDerWaalsContact C-N 3.32Å; M482-K484 PolarHBondContact O-N 2.84Å; K484-S487 PolarHBondContact O-OG 2.97Å
485	Q	82	Confident	81.8	Confident	155 Å²	155	59.9 Å²	59.9	72%	0.724	31%	0.312	S	S	*	.	H	α-helix	trans	-80.3	-28.9	-179.4	-67.6	173.9	29.7	0	0	112.3	S481 M482 L483	S481-Q485 WeakPolarHBondContact O-CG 3.41Å; S481-Q485 PolarHBondContact O-N 3.4Å; S481-Q485 PolarHBondContact OG-NE2 3.21Å; M482-Q485 PolarHBondContact O-N 2.9Å; M482-Q485 VanDerWaalsContact O-N 3.15Å; L483-Q485 VanDerWaalsContact C-N 3.31Å; L483-Q485 PolarHBondContact O-N 3.44Å
486	G	73.3	Confident	82.7	Confident	16 Å²	16	59.7 Å²	59.7	17%	0.165	31%	0.312	C	S	.	.	H	α-helix	trans	-86.7	-19.2	-179.1	0	0	0	0	0	115	L441 M482 L483	L441-G486 VanDerWaalsContact CD2-O 3.22Å; L441-G486 WeakPolarHBondContact CD2-O 3.17Å; M482-G486 PolarHBondContact O-N 2.69Å; L483-G486 PolarHBondContact O-N 3.43Å
487	S	64.1	Low	83.2	Confident	61 Å²	61	61.7 Å²	61.7	43%	0.427	32%	0.323	S	S	.	.			trans	-88.4	0	-175.3	72.3	0	0	0	0	115	L483 K484	L483-S487 VanDerWaalsContact O-CB 3.24Å; L483-S487 WeakPolarHBondContact O-CB 3.3Å; L483-S487 PolarHBondContact O-N 2.78Å; L483-S487 VanDerWaalsContact O-N 3.11Å; L483-S487 PolarHBondContact O-OG 3.03Å; K484-S487 PolarHBondContact O-OG 2.97Å

Retrieved 487 of 487 residues in 347.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).