A0A2K5MEP7_CERAT Loading...

Leucine-rich repeat-containing protein 17

Involved in bone homeostasis. Acts as a negative regulator of RANKL-induced osteoclast precursor differentiation from bone marrow precursors.

AlphaFold DB , UniProt , Accession A0A2K5MEP7, Species CERAT (Cercocebus atys, Sooty mangabey), Gene LRRC17, Length 441 aa.

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(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	39.3	Very low	40.4	Very low	205 Å²	205	146.2 Å²	146.2	100%	1.01	78%	0.782	S	S	*	*				0	116	0	-85.1	-140.7	-74.3	0	0	107.5
2	R	34.3	Very low	40.2	Very low	195 Å²	195	151.3 Å²	151.3	74%	0.736	79%	0.793	S	S	*	*			cis	-159.5	120.4	13	-79.4	157.8	-177.3	-175.5	-0.6	103.8	V4	R2-V4 HydrophobicContact CB-CG2 4.22Å
3	V	43.6	Very low	39.6	Very low	144 Å²	144	148.5 Å²	148.5	87%	0.873	79%	0.791	S	S	*	*				41.2	58.5	66.7	-163.3	0	0	0	0	111.7
4	V	44.8	Very low	39	Very low	91 Å²	91	152.7 Å²	152.7	55%	0.552	80%	0.799	S	S	*	*			trans	-144.7	-16.2	160	-177.8	0	0	0	0	113.4	R2 I6	R2-V4 HydrophobicContact CB-CG2 4.22Å; V4-I6 PolarHBondContact O-N 3.18Å
5	T	42.8	Very low	38.4	Very low	132 Å²	132	149.5 Å²	149.5	81%	0.81	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	3.8	-167.8	33.7	0	0	0	0	117.6
6	I	39.8	Very low	37.8	Very low	160 Å²	160	147.2 Å²	147.2	82%	0.821	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.8	13.3	177.1	-54.7	179.4	0	0	0	112.5	V4	V4-I6 PolarHBondContact O-N 3.18Å
7	V	40.3	Very low	37.4	Very low	114 Å²	114	148.4 Å²	148.4	69%	0.691	81%	0.81	S	S	*	*	S	Bend	trans	-100.3	-1	174.9	-179.8	0	0	0	0	112.6
8	I	41.7	Very low	36.9	Very low	132 Å²	132	147.9 Å²	147.9	68%	0.677	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	4.8	-175.1	-62.5	177.5	0	0	0	113.7
9	L	38.3	Very low	36.5	Very low	172 Å²	172	153.6 Å²	153.6	90%	0.901	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	10.1	176	-90.4	160.8	0	0	0	115.1
10	L	39	Very low	36.1	Very low	162 Å²	162	156.1 Å²	156.1	85%	0.848	82%	0.817	S	S	*	*	S	Bend	trans	-126.6	15.5	179.1	-79.7	170.4	0	0	0	115.4
11	C	40.8	Very low	35.6	Very low	101 Å²	101	153.7 Å²	153.7	68%	0.682	82%	0.82	S	S	*	*			trans	-133.9	54.7	178.8	-79.5	0	0	0	0	114.1
12	F	37.8	Very low	35.1	Very low	208 Å²	208	149.2 Å²	149.2	91%	0.912	81%	0.809	S	S	*	*			trans	-127.7	96.5	151.7	-84.9	-76	0	0	0	110.7
13	C	31.9	Very low	34.8	Very low	114 Å²	114	145.1 Å²	145.1	77%	0.77	81%	0.81	S	S	*	*			trans	-36.9	138.8	162.5	-71	0	0	0	0	112.9
14	K	31.4	Very low	34.1	Very low	208 Å²	208	143.9 Å²	143.9	90%	0.904	81%	0.808	S	S	*	*				37	98.9	95.7	-81.4	-168.6	176.7	-177.7	0	113
15	A	30.3	Very low	33.3	Very low	104 Å²	104	145.6 Å²	145.6	86%	0.86	82%	0.818	S	S	*	*			trans	170	108.9	133.1	0	0	0	0	0	108.8
16	A	29.1	Very low	32.6	Very low	113 Å²	113	146 Å²	146	93%	0.934	82%	0.821	S	S	*	*			trans	-136.3	84.3	159.8	0	0	0	0	0	107.1
17	E	30.9	Very low	32.1	Very low	168 Å²	168	149.6 Å²	149.6	79%	0.785	82%	0.824	S	S	*	*			trans	-88.8	148.3	166.7	-96.2	-163.7	163.5	0	0	110.6
18	L	27.8	Very low	31.6	Very low	139 Å²	139	149.2 Å²	149.2	73%	0.728	83%	0.826	S	S	*	*			trans	60.5	101.3	142.2	-65.5	161.9	0	0	0	118.3
19	R	29.7	Very low	31	Very low	256 Å²	256	154.7 Å²	154.7	97%	0.966	84%	0.838	S	S	*	*			trans	-105.5	103.8	144.6	-79.6	-172.9	177.8	-177.4	0.1	109.9
20	K	27.8	Very low	30.6	Very low	204 Å²	204	152.6 Å²	152.6	89%	0.887	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-61.4	127.8	160.7	-93.5	172.4	171.9	171.6	0	109.1
21	A	26.8	Very low	30.2	Very low	106 Å²	106	152.8 Å²	152.8	88%	0.876	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-87.5	127.8	162	0	0	0	0	0	109
22	S	28.4	Very low	30	Very low	111 Å²	111	157 Å²	157	78%	0.776	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-96.8	130.3	171	59	0	0	0	0	110.7
23	S	28	Very low	29.6	Very low	109 Å²	109	150.8 Å²	150.8	76%	0.762	84%	0.838	S	S	*	*			trans	50.1	112	136.7	164.6	0	0	0	0	119.5
24	S	28.2	Very low	29.5	Very low	118 Å²	118	157.4 Å²	157.4	83%	0.825	85%	0.847	S	S	*	*				-161.5	122	122.1	59.6	0	0	0	0	112.4
25	T	28.8	Very low	29.4	Very low	126 Å²	126	152.5 Å²	152.5	77%	0.773	85%	0.845	S	S	*	*			trans	-59.1	133.3	172.6	-45	0	0	0	0	113.5
26	V	28.4	Very low	29.4	Very low	142 Å²	142	151.6 Å²	151.6	86%	0.861	85%	0.846	S	S	*	*			trans	-149.8	120.2	140.2	-179.4	0	0	0	0	109.9
27	R	28.3	Very low	29.4	Very low	235 Å²	235	150 Å²	150	89%	0.887	84%	0.841	S	S	*	*			trans	-77.7	139.7	164	-84.8	172.6	161.8	168.5	-5.7	109.8
28	S	29.6	Very low	29.3	Very low	105 Å²	105	145.7 Å²	145.7	73%	0.734	84%	0.842	S	S	*	*				-176.7	119.4	126.3	70.4	0	0	0	0	109.5
29	R	29.1	Very low	29.5	Very low	247 Å²	247	150.6 Å²	150.6	93%	0.932	85%	0.85	S	S	*	*				84.9	119.3	104.2	-83.9	-173.1	172.7	168.6	-1.6	114.8
30	V	31.6	Very low	29.8	Very low	128 Å²	128	150.4 Å²	150.4	78%	0.776	85%	0.849	S	S	*	*			trans	-63.7	141	168.4	175.5	0	0	0	0	110.3
31	N	30.3	Very low	29.9	Very low	166 Å²	166	143.9 Å²	143.9	89%	0.888	84%	0.84	S	S	*	*			trans	-152.2	133.1	147.6	-119.1	-0.7	0	0	0	111.2
32	H	35	Very low	30.4	Very low	190 Å²	190	144.2 Å²	144.2	88%	0.88	84%	0.836	S	S	*	*			trans	-81.2	141.1	171.5	-89.7	-69.5	0	0	0	110.6
33	G	30.6	Very low	30.5	Very low	77 Å²	77	146 Å²	146	79%	0.794	84%	0.837	S	S	*	*			trans	-166.8	115.7	168.2	0	0	0	0	0	111.9
34	R	30	Very low	30.9	Very low	253 Å²	253	146 Å²	146	96%	0.955	84%	0.835	S	S	*	*			trans	-75.3	140.1	169.7	-90.3	172.7	159.3	163.6	-6.3	110.3
35	A	29.2	Very low	31.2	Very low	105 Å²	105	145.3 Å²	145.3	87%	0.868	83%	0.825	S	S	*	*				172.1	155.7	121	0	0	0	0	0	110.9
36	G	30.2	Very low	31.9	Very low	85 Å²	85	148.3 Å²	148.3	88%	0.876	83%	0.828	S	S	*	*			trans	-81.4	167.9	-159.4	0	0	0	0	0	117
37	G	29.1	Very low	32.1	Very low	80 Å²	80	151.8 Å²	151.8	83%	0.825	83%	0.825	S	S	*	*			trans	159.3	111.8	165.7	0	0	0	0	0	114.4
38	G	28.7	Very low	32.7	Very low	78 Å²	78	151.5 Å²	151.5	80%	0.804	83%	0.826	S	S	*	*			trans	83.9	94.1	139.6	0	0	0	0	0	120.5
39	R	32.6	Very low	32.8	Very low	242 Å²	242	149.9 Å²	149.9	91%	0.913	82%	0.819	S	S	*	*			trans	25.7	138.2	138.5	-73.8	179.7	171.4	172.6	-2.3	122
40	R	35.4	Very low	33.4	Very low	251 Å²	251	143.9 Å²	143.9	95%	0.947	81%	0.812	S	S	*	*			trans	88.2	100.9	156.4	-72	178.9	174.1	175.2	-1.9	116.3
41	G	30.6	Very low	34	Very low	67 Å²	67	142.6 Å²	142.6	69%	0.691	81%	0.809	S	S	*	*			trans	-175.5	109.9	164.4	0	0	0	0	0	109.1	N43	G41-N43 PolarHBondContact O-N 3.21Å
42	S	35.9	Very low	35	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	80%	0.801	S	S	*	*			trans	-38.7	119.3	171.7	48.9	0	0	0	0	112.7	P44	S42-P44 WeakPolarHBondContact O-CD 3.47Å
43	N	30.6	Very low	36.7	Very low	147 Å²	147	134.6 Å²	134.6	79%	0.786	77%	0.774	S	S	*	*			trans	-74	113	157.6	-90.1	-13.3	0	0	0	107.4	G41 V45	G41-N43 PolarHBondContact O-N 3.21Å; N43-V45 VanDerWaalsContact C-N 3.25Å; N43-V45 PolarHBondContact O-N 2.8Å
44	P	37	Very low	39.3	Very low	111 Å²	111	131.2 Å²	131.2	72%	0.721	74%	0.738	S	S	*	*			trans	-71.2	100.1	151.8	31.5	-25.3	0	0	0	104.3	S42 K46	S42-P44 WeakPolarHBondContact O-CD 3.47Å; P44-K46 VanDerWaalsContact C-N 3.27Å; P44-K46 PolarHBondContact O-N 3.43Å
45	V	33.5	Very low	42.1	Very low	102 Å²	102	123.4 Å²	123.4	62%	0.618	72%	0.716	S	S	*	*			trans	-60.1	105	163.2	-174.1	0	0	0	0	104.8	N43 R47	N43-V45 VanDerWaalsContact C-N 3.25Å; N43-V45 PolarHBondContact O-N 2.8Å; V45-R47 HydrophobicContact CB-CG 4.43Å; V45-R47 HydrophobicContact CG1-CG 3.64Å; V45-R47 PolarHBondContact O-N 3.36Å
46	K	43.7	Very low	45.1	Very low	190 Å²	190	121.4 Å²	121.4	83%	0.826	69%	0.692	S	S	*	*			trans	-62.2	79.7	161.1	-82.9	-177.9	175.4	178.4	0	106.9	P44 Y48	P44-K46 VanDerWaalsContact C-N 3.27Å; P44-K46 PolarHBondContact O-N 3.43Å; K46-Y48 PolarHBondContact O-N 3.31Å
47	R	32.6	Very low	48	Very low	215 Å²	215	122 Å²	122	81%	0.811	67%	0.669	S	S	*	*			trans	-77.1	103	157.9	-73.2	-172.5	-176.9	-171.5	2.2	105.2	V45 A49	V45-R47 HydrophobicContact CB-CG 4.43Å; V45-R47 HydrophobicContact CG1-CG 3.64Å; V45-R47 PolarHBondContact O-N 3.36Å; R47-A49 PolarHBondContact O-N 3.39Å
48	Y	40.7	Very low	51	Low	228 Å²	228	122.8 Å²	122.8	89%	0.894	66%	0.658	S	S	*	*			trans	-57.9	88.9	149.9	-94.7	-98	0	0	0	106.8	K46	K46-Y48 PolarHBondContact O-N 3.31Å
49	A	32.3	Very low	53.6	Low	72 Å²	72	125.8 Å²	125.8	60%	0.595	65%	0.646	S	S	*	*			trans	-87.4	133.2	157.5	0	0	0	0	0	106.3	R47 S51	R47-A49 PolarHBondContact O-N 3.39Å; A49-S51 PolarHBondContact O-N 3.24Å; A49-S51 VanDerWaalsContact O-N 3.14Å
50	P	41.5	Very low	56.2	Low	120 Å²	120	120.3 Å²	120.3	78%	0.779	63%	0.634	S	S	*	*			trans	-58.6	123	166.7	26.6	-29.8	0	0	0	106.2	L52	P50-L52 PolarHBondContact O-N 2.88Å; P50-L52 VanDerWaalsContact O-N 3.11Å
51	S	43.9	Very low	58.7	Low	102 Å²	102	117.1 Å²	117.1	71%	0.713	63%	0.63	S	S	*	*			trans	-44.8	120.9	-179.1	50.6	0	0	0	0	110	A49	A49-S51 PolarHBondContact O-N 3.24Å; A49-S51 VanDerWaalsContact O-N 3.14Å
52	L	52.6	Low	61.6	Low	138 Å²	138	116.1 Å²	116.1	72%	0.723	61%	0.607	S	S	*	*			trans	-52.5	127.9	160.6	-100.9	86.3	0	0	0	106.4	P50 C54	P50-L52 PolarHBondContact O-N 2.88Å; P50-L52 VanDerWaalsContact O-N 3.11Å; L52-C54 PolarHBondContact O-N 3.08Å; L52-C54 VanDerWaalsContact O-N 3.1Å
53	P	70.5	Confident	64.3	Low	50 Å²	50	112.9 Å²	112.9	33%	0.325	58%	0.579	S	S	.	*	S	Bend	trans	-70.6	-9.4	-170.8	24.6	-31.4	0	0	0	113.1	R70 L76	P53-R70 WeakPolarHBondContact O-CD 3.39Å; P53-R70 VanDerWaalsContact O-CG 3.26Å; P53-R70 WeakPolarHBondContact O-CG 3.15Å; P53-R70 PolarHBondContact O-NE 3.36Å; P53-R70 PolarHBondContact O-NH1 3.33Å; P53-L76 HydrophobicContact CG-CD1 3.82Å
54	C	84.7	Confident	67.4	Low	5 Å²	5	107.9 Å²	107.9	3%	0.034	55%	0.549	C	S	.	.	S	Bend	trans	-144.2	152.7	-174.6	-54.8	0	0	0	0	111.6	L52 L65 D66 C67	L52-C54 PolarHBondContact O-N 3.08Å; L52-C54 VanDerWaalsContact O-N 3.1Å; C54-L65 HydrophobicContact CB-CD1 3.64Å; C54-L65 HydrophobicContact CB-CG 4.38Å; C54-D66 CarbonylContact C-O 3.42Å; C54-D66 WeakPolarHBondContact CA-O 3.48Å; C54-D66 WeakPolarHBondContact CB-O 3.01Å; C54-C67 HydrophobicContact CB-CB 3.92Å; C54-C67 WeakPolarHBondContact CB-SG 3.02Å; C54-C67 VanDerWaalsContact SG-CA 3.56Å; C54-C67 WeakPolarHBondContact SG-CB 3.48Å; C54-C67 CovalentContact SG-SG 2.01Å; C54-C67 PolarHBondContact SG-SG 3.08Å
55	D	89.9	Confident	70.1	Confident	90 Å²	90	102.7 Å²	102.7	48%	0.481	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.9	-179.5	-61	-54.1	0	0	0	110.4	D66 R70	D55-D66 PolarHBondContact N-O 2.79Å; D55-D66 PolarHBondContact O-N 3.02Å; D55-R70 IonicContact OD2-NH2 2.71Å; D55-R70 PolarHBondContact OD2-NH2 3.18Å
56	V	92.1	Very high	73	Confident	63 Å²	63	99.6 Å²	99.6	38%	0.382	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.1	177.2	179.7	0	0	0	0	108.7	K63 Y64 L65 P80	V56-K63 HydrophobicContact CG1-CG 4.28Å; V56-Y64 WeakPolarHBondContact CA-O 3.41Å; V56-L65 HydrophobicContact CG2-CD1 3.55Å; V56-P80 HydrophobicContact CG2-CG 4.4Å
57	Y	90.3	Very high	75.3	Confident	96 Å²	96	90.5 Å²	90.5	38%	0.376	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	166.8	179.1	62.7	-92.7	0	0	0	111.7	Y64 D66	Y57-Y64 HydrophobicContact CD2-CD2 4.31Å; Y57-Y64 HydrophobicContact CD2-CG 4.32Å; Y57-Y64 HydrophobicContact CE2-CD1 4.28Å; Y57-Y64 AromaticContact CE2-CD2 3.89Å; Y57-Y64 HydrophobicContact CE2-CD2 3.89Å; Y57-Y64 AromaticContact CE2-CG 3.65Å; Y57-Y64 HydrophobicContact CE2-CG 3.65Å; Y57-Y64 AromaticContact CZ-CG 3.91Å; Y57-Y64 PolarHBondContact N-O 2.97Å; Y57-Y64 VanDerWaalsContact N-O 3.11Å; Y57-Y64 PolarHBondContact O-N 3.06Å; Y57-D66 HydrophobicContact CE1-CB 3.85Å
58	T	92.3	Very high	78.2	Confident	97 Å²	97	83 Å²	83	60%	0.595	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.5	176.2	-56.2	0	0	0	0	109	E62	T58-E62 CarbonylContact C-O 3.14Å; T58-E62 VanDerWaalsContact CA-O 3.29Å; T58-E62 WeakPolarHBondContact CA-O 3.41Å
59	Y	84	Confident	80.6	Confident	141 Å²	141	78.5 Å²	78.5	55%	0.553	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	129	176.1	179.7	-106	0	0	0	108.8	H61 E62	Y59-H61 VanDerWaalsContact C-N 3.25Å; Y59-H61 PolarHBondContact O-N 3.35Å; Y59-E62 PolarHBondContact N-O 3.41Å; Y59-E62 WeakPolarHBondContact O-CB 3.5Å; Y59-E62 PolarHBondContact O-N 3.28Å
60	L	87.1	Confident	83.3	Confident	127 Å²	127	80 Å²	80	67%	0.665	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	41.5	-176	-62.5	175.7	0	0	0	114.1	E62	L60-E62 PolarHBondContact O-N 3.5Å
61	H	87.4	Confident	85.6	Confident	185 Å²	185	81.5 Å²	81.5	86%	0.856	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	13.9	-176.2	-50.3	82.5	0	0	0	115	Y59	Y59-H61 VanDerWaalsContact C-N 3.25Å; Y59-H61 PolarHBondContact O-N 3.35Å
62	E	91.8	Very high	87.6	Confident	46 Å²	46	77.7 Å²	77.7	22%	0.215	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137	175.3	-58	-165.7	128.7	0	0	111	T58 Y59 L60 Y64 L84 H85 K108	T58-E62 CarbonylContact C-O 3.14Å; T58-E62 VanDerWaalsContact CA-O 3.29Å; T58-E62 WeakPolarHBondContact CA-O 3.41Å; Y59-E62 PolarHBondContact N-O 3.41Å; Y59-E62 WeakPolarHBondContact O-CB 3.5Å; Y59-E62 PolarHBondContact O-N 3.28Å; L60-E62 PolarHBondContact O-N 3.5Å; E62-Y64 HydrophobicContact CB-CE2 3.85Å; E62-Y64 WeakPolarHBondContact O-CD2 3.44Å; E62-Y64 WeakPolarHBondContact O-CE2 3.34Å; E62-L84 HydrophobicContact CB-CB 4.41Å; E62-L84 HydrophobicContact CB-CD1 3.77Å; E62-L84 HydrophobicContact CG-CD1 3.71Å; E62-H85 VanDerWaalsContact CD-NE2 3.34Å; E62-H85 IonicContact OE1-NE2 2.76Å; E62-H85 IonicContact OE2-CD2 2.74Å; E62-H85 IonicContact OE2-CE1 2.67Å; E62-H85 IonicContact OE2-NE2 2.94Å; E62-H85 PolarHBondContact OE2-NE2 3.27Å; E62-K108 IonicContact OE1-NZ 3.81Å; E62-K108 PolarHBondContact OE1-NZ 2.77Å
63	K	92.7	Very high	89.3	Confident	46 Å²	46	75.1 Å²	75.1	20%	0.2	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.3	-175.3	-160	-178.2	-173.1	173	0	110.8	V56 D82 L83 L84 H85	V56-K63 HydrophobicContact CG1-CG 4.28Å; K63-D82 WeakPolarHBondContact CD-OD1 3.19Å; K63-D82 VanDerWaalsContact CD-OD2 3.29Å; K63-D82 WeakPolarHBondContact CD-OD2 3.44Å; K63-D82 IonicContact NZ-OD1 3.79Å; K63-D82 PolarHBondContact NZ-OD1 3.19Å; K63-D82 IonicContact NZ-OD2 2.8Å; K63-D82 PolarHBondContact NZ-OD2 3.36Å; K63-L83 HydrophobicContact CB-CD2 4.49Å; K63-L83 HydrophobicContact CD-CD2 4.08Å; K63-L83 HydrophobicContact CG-CD2 3.94Å; K63-L84 PolarHBondContact O-N 3.24Å; K63-H85 PolarHBondContact O-N 2.89Å; K63-H85 VanDerWaalsContact O-N 3.08Å
64	Y	94.2	Very high	89.9	Confident	41 Å²	41	79.2 Å²	79.2	16%	0.161	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.7	-178.6	-69	-105.5	0	0	0	110.3	V56 Y57 E62 H85	V56-Y64 WeakPolarHBondContact CA-O 3.41Å; Y57-Y64 HydrophobicContact CD2-CD2 4.31Å; Y57-Y64 HydrophobicContact CD2-CG 4.32Å; Y57-Y64 HydrophobicContact CE2-CD1 4.28Å; Y57-Y64 AromaticContact CE2-CD2 3.89Å; Y57-Y64 HydrophobicContact CE2-CD2 3.89Å; Y57-Y64 AromaticContact CE2-CG 3.65Å; Y57-Y64 HydrophobicContact CE2-CG 3.65Å; Y57-Y64 AromaticContact CZ-CG 3.91Å; Y57-Y64 PolarHBondContact N-O 2.97Å; Y57-Y64 VanDerWaalsContact N-O 3.11Å; Y57-Y64 PolarHBondContact O-N 3.06Å; E62-Y64 HydrophobicContact CB-CE2 3.85Å; E62-Y64 WeakPolarHBondContact O-CD2 3.44Å; E62-Y64 WeakPolarHBondContact O-CE2 3.34Å; Y64-H85 CarbonylContact C-O 3.51Å; Y64-H85 WeakPolarHBondContact CA-O 3.08Å; Y64-H85 HydrophobicContact CD1-CB 3.32Å; Y64-H85 AromaticContact CD1-CG 3.87Å; Y64-H85 HydrophobicContact CE1-CB 3.42Å; Y64-H85 VanDerWaalsContact CE1-CB 3.42Å; Y64-H85 AromaticContact CE1-CD2 3.47Å; Y64-H85 VanDerWaalsContact CE1-CD2 3.47Å; Y64-H85 WeakPolarHBondContact CE1-CD2 3.45Å; Y64-H85 AromaticContact CE1-CG 3.43Å; Y64-H85 VanDerWaalsContact CE1-CG 3.43Å; Y64-H85 AromaticContact CE2-CD2 3.49Å; Y64-H85 VanDerWaalsContact CE2-CD2 3.49Å; Y64-H85 WeakPolarHBondContact CE2-CD2 3.47Å; Y64-H85 HydrophobicContact CG-CB 3.9Å; Y64-H85 AromaticContact CZ-CD2 3.15Å; Y64-H85 AromaticContact CZ-CG 3.65Å; Y64-H85 AromaticContact CZ-NE2 3.68Å; Y64-H85 PolarHBondContact OH-CD2 3.37Å; Y64-H85 PolarHBondContact OH-NE2 2.73Å
65	L	95.1	Very high	89.8	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.01	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.7	163.3	175.5	72.5	0	0	0	108	C54 V56 W79 L83 H85 M86 L87	C54-L65 HydrophobicContact CB-CD1 3.64Å; C54-L65 HydrophobicContact CB-CG 4.38Å; V56-L65 HydrophobicContact CG2-CD1 3.55Å; L65-W79 HydrophobicContact CD2-CB 4.2Å; L65-W79 HydrophobicContact CD2-CD2 3.43Å; L65-W79 VanDerWaalsContact CD2-CD2 3.43Å; L65-W79 HydrophobicContact CD2-CE3 3.31Å; L65-W79 HydrophobicContact CD2-CG 3.83Å; L65-W79 HydrophobicContact CD2-CH2 4.4Å; L65-W79 HydrophobicContact CD2-CZ2 4.49Å; L65-W79 HydrophobicContact CD2-CZ3 3.81Å; L65-L83 HydrophobicContact CB-CD1 3.6Å; L65-L83 HydrophobicContact CB-CD2 3.71Å; L65-L83 HydrophobicContact CB-CG 4.28Å; L65-L83 HydrophobicContact CD2-CD1 3.77Å; L65-L83 HydrophobicContact CG-CD1 4.24Å; L65-H85 PolarHBondContact N-O 3.37Å; L65-M86 HydrophobicContact CD2-CE 4.1Å; L65-M86 HydrophobicContact CD2-CG 4.24Å; L65-L87 PolarHBondContact O-N 3.43Å
66	D	93.8	Very high	89.3	Confident	37 Å²	37	77.6 Å²	77.6	20%	0.198	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	108	177.1	-165.7	-14.5	0	0	0	111	C54 D55 Y57 Q68 L87	C54-D66 CarbonylContact C-O 3.42Å; C54-D66 WeakPolarHBondContact CA-O 3.48Å; C54-D66 WeakPolarHBondContact CB-O 3.01Å; D55-D66 PolarHBondContact N-O 2.79Å; D55-D66 PolarHBondContact O-N 3.02Å; Y57-D66 HydrophobicContact CE1-CB 3.85Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.47Å; D66-Q68 VanDerWaalsContact OD1-CG 3.27Å; D66-Q68 WeakPolarHBondContact OD1-CG 3.4Å; D66-Q68 PolarHBondContact OD1-N 3.39Å; D66-Q68 VanDerWaalsContact OD1-N 3.13Å; D66-Q68 PolarHBondContact OD1-NE2 3.33Å; D66-Q68 PolarHBondContact OD2-NE2 2.82Å; D66-L87 HydrophobicContact CB-CD1 4.27Å
67	C	92.8	Very high	88.3	Confident	0 Å²	0	79 Å²	79	0%	0	37%	0.374	C	S	.	.			trans	-119.8	23	-178.4	-72.6	0	0	0	0	111.1	C54 R70 L72 L87 L88 N91	C54-C67 HydrophobicContact CB-CB 3.92Å; C54-C67 WeakPolarHBondContact CB-SG 3.02Å; C54-C67 VanDerWaalsContact SG-CA 3.56Å; C54-C67 WeakPolarHBondContact SG-CB 3.48Å; C54-C67 CovalentContact SG-SG 2.01Å; C54-C67 PolarHBondContact SG-SG 3.08Å; C67-R70 WeakPolarHBondContact O-CG 3.47Å; C67-L72 HydrophobicContact CB-CD1 3.72Å; C67-L87 CarbonylContact C-O 3.56Å; C67-L87 WeakPolarHBondContact CA-O 3.42Å; C67-L87 WeakPolarHBondContact CB-O 3.19Å; C67-L87 PolarHBondContact N-O 3.4Å; C67-L88 HydrophobicContact CB-CD2 3.47Å; C67-L88 VanDerWaalsContact CB-CD2 3.47Å; C67-N91 PolarHBondContact O-ND2 3.31Å
68	Q	92.1	Very high	87.8	Confident	56 Å²	56	77.9 Å²	77.9	26%	0.262	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	144.1	-174.7	-65.4	174.7	90.3	0	0	112.2	D66 R70 L87 A89	D66-Q68 WeakPolarHBondContact OD1-CB 3.47Å; D66-Q68 VanDerWaalsContact OD1-CG 3.27Å; D66-Q68 WeakPolarHBondContact OD1-CG 3.4Å; D66-Q68 PolarHBondContact OD1-N 3.39Å; D66-Q68 VanDerWaalsContact OD1-N 3.13Å; D66-Q68 PolarHBondContact OD1-NE2 3.33Å; D66-Q68 PolarHBondContact OD2-NE2 2.82Å; Q68-R70 VanDerWaalsContact C-N 3.25Å; Q68-R70 WeakPolarHBondContact O-CG 3.24Å; Q68-R70 PolarHBondContact O-N 2.97Å; Q68-L87 HydrophobicContact CG-CB 3.95Å; Q68-A89 VanDerWaalsContact CA-O 3.31Å; Q68-A89 WeakPolarHBondContact CA-O 3.45Å; Q68-A89 HydrophobicContact CG-CB 4.04Å
69	E	91.4	Very high	87.6	Confident	134 Å²	134	74.4 Å²	74.4	63%	0.626	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	23.8	175.3	-57.5	-176.8	-167.7	0	0	115.4	A89 R90	E69-A89 PolarHBondContact N-O 3.3Å; E69-R90 WeakPolarHBondContact CA-O 3.06Å; E69-R90 HydrophobicContact CG-CB 3.62Å; E69-R90 HydrophobicContact CG-CG 4.25Å; E69-R90 PolarHBondContact N-O 3.38Å; E69-R90 WeakPolarHBondContact OE1-CD 3.43Å; E69-R90 IonicContact OE1-NE 2.71Å
70	R	88.5	Confident	87.9	Confident	103 Å²	103	69.7 Å²	69.7	39%	0.389	36%	0.355	S	S	.	.	S	Bend	trans	-95.1	6.5	-175.8	-59	-59.9	-178.4	124.2	-0.6	114.2	P53 D55 C67 Q68 L72 N91	P53-R70 WeakPolarHBondContact O-CD 3.39Å; P53-R70 VanDerWaalsContact O-CG 3.26Å; P53-R70 WeakPolarHBondContact O-CG 3.15Å; P53-R70 PolarHBondContact O-NE 3.36Å; P53-R70 PolarHBondContact O-NH1 3.33Å; D55-R70 IonicContact OD2-NH2 2.71Å; D55-R70 PolarHBondContact OD2-NH2 3.18Å; C67-R70 WeakPolarHBondContact O-CG 3.47Å; Q68-R70 VanDerWaalsContact C-N 3.25Å; Q68-R70 WeakPolarHBondContact O-CG 3.24Å; Q68-R70 PolarHBondContact O-N 2.97Å; R70-L72 HydrophobicContact CB-CD1 4.27Å; R70-L72 HydrophobicContact CB-CD2 4.39Å; R70-L72 HydrophobicContact CB-CG 3.89Å; R70-L72 PolarHBondContact O-N 3.31Å; R70-N91 PolarHBondContact N-OD1 2.76Å
71	K	89.4	Confident	88	Confident	152 Å²	152	69.4 Å²	69.4	66%	0.661	35%	0.35	S	S	*	.			trans	56.3	30	-177.3	-55.3	174.8	-178	173	0	112.9	N91 K92	K71-N91 PolarHBondContact N-OD1 3.3Å; K71-K92 HydrophobicContact CB-CD 4.32Å
72	L	87.5	Confident	88.3	Confident	23 Å²	23	64 Å²	64	12%	0.12	33%	0.327	C	S	.	.			trans	-66	139.3	-179.1	-63.4	172.4	0	0	0	110.8	C67 R70 W79 L88 N91 K92 I93	C67-L72 HydrophobicContact CB-CD1 3.72Å; R70-L72 HydrophobicContact CB-CD1 4.27Å; R70-L72 HydrophobicContact CB-CD2 4.39Å; R70-L72 HydrophobicContact CB-CG 3.89Å; R70-L72 PolarHBondContact O-N 3.31Å; L72-W79 HydrophobicContact CD1-CH2 4.28Å; L72-W79 HydrophobicContact CD1-CZ2 4.3Å; L72-L88 HydrophobicContact CD1-CD2 3.91Å; L72-N91 HydrophobicContact CB-CB 4.12Å; L72-N91 PolarHBondContact N-OD1 3.18Å; L72-K92 CarbonylContact O-C 3.15Å; L72-K92 VanDerWaalsContact O-CA 3.26Å; L72-K92 WeakPolarHBondContact O-CA 3.49Å; L72-K92 PolarHBondContact O-N 3.25Å; L72-I93 PolarHBondContact O-N 3.4Å
73	V	87	Confident	88.4	Confident	83 Å²	83	61.8 Å²	61.8	50%	0.503	32%	0.317	S	S	.	.	S	Bend	trans	-106.6	-19.6	175.5	-175	0	0	0	0	111.2	K92	V73-K92 HydrophobicContact CG2-CB 4.18Å
74	Y	83	Confident	88.5	Confident	137 Å²	137	61 Å²	61	54%	0.537	32%	0.315	S	S	.	.	S	Bend	trans	-150.4	162.2	-178.7	66.1	-82.6	0	0	0	111.4	L76	Y74-L76 HydrophobicContact CD2-CD2 4.42Å; Y74-L76 HydrophobicContact CE2-CD2 3.48Å; Y74-L76 VanDerWaalsContact CE2-CD2 3.48Å; Y74-L76 HydrophobicContact CE2-CG 4.18Å
75	V	84.3	Confident	88.6	Confident	15 Å²	15	60.1 Å²	60.1	9%	0.091	31%	0.312	C	S	.	.			trans	-84.7	131.6	175.9	167.4	0	0	0	0	110	W79 L88 M100 F101 F104	V75-W79 HydrophobicContact CB-CH2 4.38Å; V75-W79 HydrophobicContact CB-CZ3 4.08Å; V75-W79 HydrophobicContact CG1-CE3 3.83Å; V75-W79 HydrophobicContact CG1-CH2 4.24Å; V75-W79 HydrophobicContact CG1-CZ3 3.53Å; V75-W79 HydrophobicContact CG2-CH2 4.4Å; V75-W79 HydrophobicContact CG2-CZ3 4.1Å; V75-L88 HydrophobicContact CG2-CD1 4.03Å; V75-M100 HydrophobicContact CB-CG 3.87Å; V75-M100 HydrophobicContact CB-SD 4.14Å; V75-M100 HydrophobicContact CG1-CG 4.43Å; V75-M100 HydrophobicContact CG2-CG 4.03Å; V75-M100 HydrophobicContact CG2-SD 3.9Å; V75-F101 HydrophobicContact CG2-CD1 4.45Å; V75-F101 HydrophobicContact CG2-CE1 3.62Å; V75-F101 HydrophobicContact CG2-CZ 3.92Å; V75-F104 HydrophobicContact CG1-CE2 4.04Å
76	L	78.7	Confident	88.6	Confident	46 Å²	46	60 Å²	60	24%	0.241	31%	0.312	C	S	.	.			trans	-85.7	136.9	-177.9	-71.1	162.1	0	0	0	111.4	P53 Y74 G78 W79	P53-L76 HydrophobicContact CG-CD1 3.82Å; Y74-L76 HydrophobicContact CD2-CD2 4.42Å; Y74-L76 HydrophobicContact CE2-CD2 3.48Å; Y74-L76 VanDerWaalsContact CE2-CD2 3.48Å; Y74-L76 HydrophobicContact CE2-CG 4.18Å; L76-G78 PolarHBondContact O-N 3.19Å; L76-W79 HydrophobicContact CB-CD2 4.3Å; L76-W79 HydrophobicContact CB-CZ2 4.04Å; L76-W79 HydrophobicContact CD1-CZ2 4.22Å; L76-W79 HydrophobicContact CG-CZ2 4.33Å
77	P	71.3	Confident	88.8	Confident	91 Å²	91	59.7 Å²	59.7	59%	0.591	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.8	-176.6	29.7	-35.9	0	0	0	114.4
78	G	78.8	Confident	88.9	Confident	74 Å²	74	59.7 Å²	59.7	76%	0.763	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	6.2	-176.6	0	0	0	0	0	115	L76	L76-G78 PolarHBondContact O-N 3.19Å
79	W	88.6	Confident	89.1	Confident	24 Å²	24	57 Å²	57	9%	0.091	30%	0.297	C	S	.	.	S	Bend	trans	-73.6	153.7	178.2	-64.4	-20.8	0	0	0	112.2	L65 L72 V75 L76 M86 L88 F104	L65-W79 HydrophobicContact CD2-CB 4.2Å; L65-W79 HydrophobicContact CD2-CD2 3.43Å; L65-W79 VanDerWaalsContact CD2-CD2 3.43Å; L65-W79 HydrophobicContact CD2-CE3 3.31Å; L65-W79 HydrophobicContact CD2-CG 3.83Å; L65-W79 HydrophobicContact CD2-CH2 4.4Å; L65-W79 HydrophobicContact CD2-CZ2 4.49Å; L65-W79 HydrophobicContact CD2-CZ3 3.81Å; L72-W79 HydrophobicContact CD1-CH2 4.28Å; L72-W79 HydrophobicContact CD1-CZ2 4.3Å; V75-W79 HydrophobicContact CB-CH2 4.38Å; V75-W79 HydrophobicContact CB-CZ3 4.08Å; V75-W79 HydrophobicContact CG1-CE3 3.83Å; V75-W79 HydrophobicContact CG1-CH2 4.24Å; V75-W79 HydrophobicContact CG1-CZ3 3.53Å; V75-W79 HydrophobicContact CG2-CH2 4.4Å; V75-W79 HydrophobicContact CG2-CZ3 4.1Å; L76-W79 HydrophobicContact CB-CD2 4.3Å; L76-W79 HydrophobicContact CB-CZ2 4.04Å; L76-W79 HydrophobicContact CD1-CZ2 4.22Å; L76-W79 HydrophobicContact CG-CZ2 4.33Å; W79-M86 HydrophobicContact CE3-CE 3.95Å; W79-M86 HydrophobicContact CE3-SD 4.2Å; W79-M86 HydrophobicContact CZ3-CE 4.28Å; W79-M86 HydrophobicContact CZ3-SD 3.91Å; W79-L88 HydrophobicContact CH2-CD2 3.63Å; W79-L88 HydrophobicContact CZ3-CD1 4.35Å; W79-L88 HydrophobicContact CZ3-CD2 3.99Å; W79-F104 HydrophobicContact CB-CE1 3.87Å; W79-F104 HydrophobicContact CB-CZ 3.94Å; W79-F104 HydrophobicContact CE3-CZ 4.13Å
80	P	89.5	Confident	89.2	Confident	42 Å²	42	56.5 Å²	56.5	27%	0.273	29%	0.29	S	S	.	.			trans	-58.5	138.5	179.4	-21.5	32	0	0	0	112.3	V56 D82 L83 F104	V56-P80 HydrophobicContact CG2-CG 4.4Å; P80-D82 VanDerWaalsContact CB-OD1 3.26Å; P80-D82 WeakPolarHBondContact CB-OD1 2.99Å; P80-L83 HydrophobicContact CB-CD2 4.47Å; P80-L83 HydrophobicContact CB-CG 4.21Å; P80-L83 WeakPolarHBondContact O-CD1 3.22Å; P80-L83 WeakPolarHBondContact O-CG 3.09Å; P80-F104 WeakPolarHBondContact O-CD1 3.48Å; P80-F104 WeakPolarHBondContact O-CE1 3.45Å
81	Q	90.8	Very high	89.4	Confident	120 Å²	120	52 Å²	52	56%	0.561	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-12.6	-176.4	-62.7	179.4	13.8	0	0	113.6	L83 K103	Q81-L83 VanDerWaalsContact C-N 3.27Å; Q81-L83 PolarHBondContact O-N 3.14Å; Q81-K103 HydrophobicContact CG-CB 4.37Å
82	D	93.3	Very high	89.7	Confident	72 Å²	72	49.4 Å²	49.4	39%	0.385	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	14	179.5	64.3	-32.4	0	0	0	113.3	K63 P80	K63-D82 WeakPolarHBondContact CD-OD1 3.19Å; K63-D82 VanDerWaalsContact CD-OD2 3.29Å; K63-D82 WeakPolarHBondContact CD-OD2 3.44Å; K63-D82 IonicContact NZ-OD1 3.79Å; K63-D82 PolarHBondContact NZ-OD1 3.19Å; K63-D82 IonicContact NZ-OD2 2.8Å; K63-D82 PolarHBondContact NZ-OD2 3.36Å; P80-D82 VanDerWaalsContact CB-OD1 3.26Å; P80-D82 WeakPolarHBondContact CB-OD1 2.99Å
83	L	93.8	Very high	90	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.			trans	-66.5	136.9	176.4	-66	170	0	0	0	111.2	K63 L65 P80 Q81 M86 F104 K106 L107	K63-L83 HydrophobicContact CB-CD2 4.49Å; K63-L83 HydrophobicContact CD-CD2 4.08Å; K63-L83 HydrophobicContact CG-CD2 3.94Å; L65-L83 HydrophobicContact CB-CD1 3.6Å; L65-L83 HydrophobicContact CB-CD2 3.71Å; L65-L83 HydrophobicContact CB-CG 4.28Å; L65-L83 HydrophobicContact CD2-CD1 3.77Å; L65-L83 HydrophobicContact CG-CD1 4.24Å; P80-L83 HydrophobicContact CB-CD2 4.47Å; P80-L83 HydrophobicContact CB-CG 4.21Å; P80-L83 WeakPolarHBondContact O-CD1 3.22Å; P80-L83 WeakPolarHBondContact O-CG 3.09Å; Q81-L83 VanDerWaalsContact C-N 3.27Å; Q81-L83 PolarHBondContact O-N 3.14Å; L83-M86 HydrophobicContact CD1-CE 3.96Å; L83-F104 HydrophobicContact CD1-CD1 4.26Å; L83-F104 HydrophobicContact CD1-CE1 4.23Å; L83-K106 CarbonylContact O-C 3.52Å; L83-L107 HydrophobicContact CB-CD1 4.3Å
84	L	94.9	Very high	90.3	Very high	30 Å²	30	51.3 Å²	51.3	16%	0.157	26%	0.259	C	S	.	.	S	Bend	trans	-101.6	-27.3	170.7	-62.9	-175.6	0	0	0	111.4	E62 K63 K106 K108 S109	E62-L84 HydrophobicContact CB-CB 4.41Å; E62-L84 HydrophobicContact CB-CD1 3.77Å; E62-L84 HydrophobicContact CG-CD1 3.71Å; K63-L84 PolarHBondContact O-N 3.24Å; L84-K106 HydrophobicContact CD2-CB 3.91Å; L84-K106 WeakPolarHBondContact CD2-O 3.4Å; L84-K108 HydrophobicContact CB-CD 4.5Å; L84-K108 HydrophobicContact CB-CG 4.5Å; L84-K108 HydrophobicContact CD1-CD 4.49Å; L84-K108 HydrophobicContact CD2-CD 4.48Å; L84-K108 HydrophobicContact CD2-CG 4.33Å; L84-K108 WeakPolarHBondContact O-CA 3.39Å; L84-K108 PolarHBondContact O-N 3.01Å; L84-S109 PolarHBondContact O-N 3.29Å; L84-S109 VanDerWaalsContact O-N 3.1Å
85	H	96.1	Very high	90.7	Very high	21 Å²	21	48.2 Å²	48.2	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133	-177.5	-56.9	-78	0	0	0	111	E62 K63 Y64 L65 S109	E62-H85 VanDerWaalsContact CD-NE2 3.34Å; E62-H85 IonicContact OE1-NE2 2.76Å; E62-H85 IonicContact OE2-CD2 2.74Å; E62-H85 IonicContact OE2-CE1 2.67Å; E62-H85 IonicContact OE2-NE2 2.94Å; E62-H85 PolarHBondContact OE2-NE2 3.27Å; K63-H85 PolarHBondContact O-N 2.89Å; K63-H85 VanDerWaalsContact O-N 3.08Å; Y64-H85 CarbonylContact C-O 3.51Å; Y64-H85 WeakPolarHBondContact CA-O 3.08Å; Y64-H85 HydrophobicContact CD1-CB 3.32Å; Y64-H85 AromaticContact CD1-CG 3.87Å; Y64-H85 HydrophobicContact CE1-CB 3.42Å; Y64-H85 VanDerWaalsContact CE1-CB 3.42Å; Y64-H85 AromaticContact CE1-CD2 3.47Å; Y64-H85 VanDerWaalsContact CE1-CD2 3.47Å; Y64-H85 WeakPolarHBondContact CE1-CD2 3.45Å; Y64-H85 AromaticContact CE1-CG 3.43Å; Y64-H85 VanDerWaalsContact CE1-CG 3.43Å; Y64-H85 AromaticContact CE2-CD2 3.49Å; Y64-H85 VanDerWaalsContact CE2-CD2 3.49Å; Y64-H85 WeakPolarHBondContact CE2-CD2 3.47Å; Y64-H85 HydrophobicContact CG-CB 3.9Å; Y64-H85 AromaticContact CZ-CD2 3.15Å; Y64-H85 AromaticContact CZ-CG 3.65Å; Y64-H85 AromaticContact CZ-NE2 3.68Å; Y64-H85 PolarHBondContact OH-CD2 3.37Å; Y64-H85 PolarHBondContact OH-NE2 2.73Å; L65-H85 PolarHBondContact N-O 3.37Å; H85-S109 WeakPolarHBondContact CA-O 3.39Å; H85-S109 WeakPolarHBondContact ND1-CB 3.24Å
86	M	96.1	Very high	91.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113	-178.4	-177.3	174	-62.7	0	0	109.6	L65 W79 L83 L88 F101 F104 L107 S109 L110 D111	L65-M86 HydrophobicContact CD2-CE 4.1Å; L65-M86 HydrophobicContact CD2-CG 4.24Å; W79-M86 HydrophobicContact CE3-CE 3.95Å; W79-M86 HydrophobicContact CE3-SD 4.2Å; W79-M86 HydrophobicContact CZ3-CE 4.28Å; W79-M86 HydrophobicContact CZ3-SD 3.91Å; L83-M86 HydrophobicContact CD1-CE 3.96Å; M86-L88 HydrophobicContact CG-CD1 3.73Å; M86-L88 HydrophobicContact CG-CG 3.82Å; M86-L88 HydrophobicContact SD-CD1 3.56Å; M86-L88 VanDerWaalsContact SD-CD1 3.56Å; M86-L88 HydrophobicContact SD-CG 4.28Å; M86-F101 HydrophobicContact SD-CD1 4.15Å; M86-F101 HydrophobicContact SD-CE1 4Å; M86-F104 HydrophobicContact CE-CD1 3.91Å; M86-F104 HydrophobicContact CE-CD2 3.76Å; M86-F104 HydrophobicContact CE-CE1 3.96Å; M86-F104 HydrophobicContact CE-CE2 3.82Å; M86-F104 HydrophobicContact CE-CG 3.82Å; M86-F104 HydrophobicContact CE-CZ 3.92Å; M86-L107 HydrophobicContact CB-CD1 3.75Å; M86-L107 HydrophobicContact CB-CD2 4.21Å; M86-S109 PolarHBondContact N-O 2.81Å; M86-L110 HydrophobicContact CB-CD1 4.01Å; M86-L110 HydrophobicContact CG-CD1 4.04Å; M86-L110 HydrophobicContact SD-CD1 4.04Å; M86-D111 PolarHBondContact O-N 2.97Å
87	L	96.3	Very high	91.7	Very high	30 Å²	30	51.2 Å²	51.2	16%	0.157	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	101	-178	-47.9	176.8	0	0	0	109.4	L65 D66 C67 Q68 D111	L65-L87 PolarHBondContact O-N 3.43Å; D66-L87 HydrophobicContact CB-CD1 4.27Å; C67-L87 CarbonylContact C-O 3.56Å; C67-L87 WeakPolarHBondContact CA-O 3.42Å; C67-L87 WeakPolarHBondContact CB-O 3.19Å; C67-L87 PolarHBondContact N-O 3.4Å; Q68-L87 HydrophobicContact CG-CB 3.95Å; L87-D111 HydrophobicContact CD2-CB 4.14Å
88	L	95.8	Very high	92.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.			trans	-116	18.7	-178.6	-68	167.6	0	0	0	112.4	C67 L72 V75 W79 M86 N91 I93 F101 L110 D111 L112 N115	C67-L88 HydrophobicContact CB-CD2 3.47Å; C67-L88 VanDerWaalsContact CB-CD2 3.47Å; L72-L88 HydrophobicContact CD1-CD2 3.91Å; V75-L88 HydrophobicContact CG2-CD1 4.03Å; W79-L88 HydrophobicContact CH2-CD2 3.63Å; W79-L88 HydrophobicContact CZ3-CD1 4.35Å; W79-L88 HydrophobicContact CZ3-CD2 3.99Å; M86-L88 HydrophobicContact CG-CD1 3.73Å; M86-L88 HydrophobicContact CG-CG 3.82Å; M86-L88 HydrophobicContact SD-CD1 3.56Å; M86-L88 VanDerWaalsContact SD-CD1 3.56Å; M86-L88 HydrophobicContact SD-CG 4.28Å; L88-N91 PolarHBondContact O-ND2 3.45Å; L88-I93 HydrophobicContact CB-CD1 4.5Å; L88-F101 HydrophobicContact CD1-CE1 4.16Å; L88-L110 HydrophobicContact CD1-CD1 4.18Å; L88-D111 CarbonylContact C-O 3.54Å; L88-D111 VanDerWaalsContact C-O 3.32Å; L88-D111 VanDerWaalsContact CA-O 3.24Å; L88-D111 WeakPolarHBondContact CA-O 3.42Å; L88-D111 VanDerWaalsContact CB-O 3.3Å; L88-D111 WeakPolarHBondContact CB-O 3.45Å; L88-D111 PolarHBondContact N-O 2.01Å; L88-L112 HydrophobicContact CB-CD2 3.94Å; L88-L112 HydrophobicContact CD1-CD2 3.92Å; L88-N115 PolarHBondContact O-ND2 3.4Å
89	A	95.3	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.227	C	C	.	.			trans	-60.2	154.1	178.8	0	0	0	0	0	112.8	Q68 E69 N91 D111 Q113	Q68-A89 VanDerWaalsContact CA-O 3.31Å; Q68-A89 WeakPolarHBondContact CA-O 3.45Å; Q68-A89 HydrophobicContact CG-CB 4.04Å; E69-A89 PolarHBondContact N-O 3.3Å; A89-N91 VanDerWaalsContact C-N 3.35Å; A89-N91 PolarHBondContact O-N 3.11Å; A89-N91 PolarHBondContact O-ND2 2.93Å; A89-D111 PolarHBondContact N-O 3.42Å; A89-Q113 VanDerWaalsContact CA-O 3.22Å; A89-Q113 WeakPolarHBondContact CA-O 3.41Å; A89-Q113 HydrophobicContact CB-CG 3.64Å
90	R	95	Very high	92.9	Very high	124 Å²	124	50 Å²	50	47%	0.468	23%	0.232	S	C	.	.	S	Bend	trans	59.4	41.8	174	-56.6	174.7	-150.1	-101.2	13	113.4	E69 Q113 Q114	E69-R90 WeakPolarHBondContact CA-O 3.06Å; E69-R90 HydrophobicContact CG-CB 3.62Å; E69-R90 HydrophobicContact CG-CG 4.25Å; E69-R90 PolarHBondContact N-O 3.38Å; E69-R90 WeakPolarHBondContact OE1-CD 3.43Å; E69-R90 IonicContact OE1-NE 2.71Å; R90-Q113 PolarHBondContact N-O 2.6Å; R90-Q113 VanDerWaalsContact N-O 3.15Å; R90-Q114 WeakPolarHBondContact CA-O 3.27Å; R90-Q114 HydrophobicContact CG-CB 4.02Å; R90-Q114 PolarHBondContact N-O 3.27Å
91	N	93.1	Very high	93.1	Very high	9 Å²	9	48 Å²	48	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-112.8	-168.5	175.5	-79.6	-61.9	0	0	0	110.7	C67 R70 K71 L72 L88 A89 I93 N115	C67-N91 PolarHBondContact O-ND2 3.31Å; R70-N91 PolarHBondContact N-OD1 2.76Å; K71-N91 PolarHBondContact N-OD1 3.3Å; L72-N91 HydrophobicContact CB-CB 4.12Å; L72-N91 PolarHBondContact N-OD1 3.18Å; L88-N91 PolarHBondContact O-ND2 3.45Å; A89-N91 VanDerWaalsContact C-N 3.35Å; A89-N91 PolarHBondContact O-N 3.11Å; A89-N91 PolarHBondContact O-ND2 2.93Å; N91-I93 HydrophobicContact CB-CG1 4.39Å; N91-N115 VanDerWaalsContact CA-OD1 3.24Å; N91-N115 WeakPolarHBondContact CA-OD1 3.4Å; N91-N115 WeakPolarHBondContact CB-OD1 3.31Å; N91-N115 PolarHBondContact N-OD1 3.03Å; N91-N115 PolarHBondContact O-OD1 2.92Å
92	K	93.9	Very high	93.1	Very high	97 Å²	97	43.9 Å²	43.9	42%	0.422	20%	0.204	S	C	.	.			trans	-119	30.4	-176.8	-62.3	-170.7	174.5	-164.5	0	111.8	K71 L72 V73 R94 N115	K71-K92 HydrophobicContact CB-CD 4.32Å; L72-K92 CarbonylContact O-C 3.15Å; L72-K92 VanDerWaalsContact O-CA 3.26Å; L72-K92 WeakPolarHBondContact O-CA 3.49Å; L72-K92 PolarHBondContact O-N 3.25Å; V73-K92 HydrophobicContact CG2-CB 4.18Å; K92-R94 PolarHBondContact O-N 3.11Å; K92-N115 PolarHBondContact N-OD1 2.97Å
93	I	94.8	Very high	92.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.			trans	-71.4	128.3	179.3	-57.3	172.4	0	0	0	107.9	L72 L88 N91 L96 L112 N115 E116 I117	L72-I93 PolarHBondContact O-N 3.4Å; L88-I93 HydrophobicContact CB-CD1 4.5Å; N91-I93 HydrophobicContact CB-CG1 4.39Å; I93-L96 HydrophobicContact CG2-CD2 3.78Å; I93-L112 HydrophobicContact CD1-CD2 3.99Å; I93-N115 HydrophobicContact CB-CB 4.42Å; I93-N115 WeakPolarHBondContact CB-OD1 3.32Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.31Å; I93-N115 PolarHBondContact N-OD1 2.89Å; I93-N115 VanDerWaalsContact N-OD1 3.14Å; I93-E116 CarbonylContact O-C 3.07Å; I93-E116 WeakPolarHBondContact O-CA 3.28Å; I93-E116 PolarHBondContact O-N 2.97Å; I93-I117 HydrophobicContact CB-CG1 4.36Å; I93-I117 HydrophobicContact CG2-CG1 4.21Å; I93-I117 WeakPolarHBondContact O-CG1 3.02Å; I93-I117 PolarHBondContact O-N 2.75Å
94	R	93.5	Very high	92.9	Very high	146 Å²	146	45.5 Å²	45.5	55%	0.551	21%	0.207	S	C	*	.			trans	-109.1	-35	-176.8	-69.5	179.9	177.5	-176.6	-2.2	114.3	K92 E116 I117 S118	K92-R94 PolarHBondContact O-N 3.11Å; R94-E116 WeakPolarHBondContact CA-O 3.5Å; R94-E116 HydrophobicContact CG-CB 3.8Å; R94-E116 IonicContact CZ-OE2 3.31Å; R94-E116 VanDerWaalsContact CZ-OE2 3.31Å; R94-E116 IonicContact NE-OE2 2.83Å; R94-E116 PolarHBondContact NE-OE2 3.21Å; R94-E116 IonicContact NH2-OE2 2.9Å; R94-E116 PolarHBondContact NH2-OE2 3.49Å; R94-I117 CarbonylContact O-C 3.6Å; R94-I117 WeakPolarHBondContact O-CA 3.33Å; R94-S118 PolarHBondContact O-N 2.92Å; R94-S118 PolarHBondContact O-OG 3.13Å
95	I	91.9	Very high	92.8	Very high	72 Å²	72	50.4 Å²	50.4	37%	0.369	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.2	-174.6	-56.4	176.8	0	0	0	108	K97 K119	I95-K97 HydrophobicContact CG2-CG 4.21Å; I95-K119 WeakPolarHBondContact CA-O 3.48Å; I95-K119 HydrophobicContact CG1-CB 4.44Å; I95-K119 HydrophobicContact CG2-CB 4.41Å
96	L	95	Very high	92.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111	167.6	-56.2	-175.4	0	0	0	108.1	I93 M100 F101 L112 I117 K119 I120 E121 A124 F125	I93-L96 HydrophobicContact CG2-CD2 3.78Å; L96-M100 HydrophobicContact CD2-SD 4.18Å; L96-F101 HydrophobicContact CD2-CE2 4.25Å; L96-F101 HydrophobicContact CD2-CZ 4.37Å; L96-L112 HydrophobicContact CD1-CD1 3.83Å; L96-L112 HydrophobicContact CD2-CD1 4.29Å; L96-I117 HydrophobicContact CD1-CD1 4.26Å; L96-I117 HydrophobicContact CD2-CD1 4.11Å; L96-I117 HydrophobicContact CG-CD1 4.23Å; L96-I117 HydrophobicContact CG-CG2 4.19Å; L96-K119 PolarHBondContact N-O 2.83Å; L96-I120 HydrophobicContact CB-CG1 4.38Å; L96-I120 HydrophobicContact CB-CG2 4.25Å; L96-I120 HydrophobicContact CD1-CD1 4.05Å; L96-I120 HydrophobicContact CD1-CG1 3.97Å; L96-I120 HydrophobicContact CD1-CG2 4.3Å; L96-I120 HydrophobicContact CG-CG1 4.27Å; L96-E121 PolarHBondContact O-N 3.1Å; L96-A124 HydrophobicContact CB-CB 3.83Å; L96-F125 HydrophobicContact CD1-CE1 3.88Å; L96-F125 HydrophobicContact CD1-CZ 3.64Å
97	K	88.6	Confident	92.7	Very high	124 Å²	124	55.4 Å²	55.4	54%	0.539	25%	0.249	S	C	.	.			trans	-86	156	-178.3	-64.9	-172.4	175.5	-172.6	0	111.8	I95 N99 M100 E121 A124	I95-K97 HydrophobicContact CG2-CG 4.21Å; K97-N99 PolarHBondContact O-N 3.13Å; K97-M100 HydrophobicContact CB-CE 4.27Å; K97-M100 HydrophobicContact CG-CE 4.47Å; K97-M100 WeakPolarHBondContact O-CB 3.5Å; K97-M100 PolarHBondContact O-N 3.33Å; K97-E121 WeakPolarHBondContact CA-OE2 3.45Å; K97-A124 WeakPolarHBondContact O-CA 3.22Å
98	N	88.5	Confident	92.7	Very high	59 Å²	59	57.7 Å²	57.7	32%	0.316	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	137.4	172.8	-74.5	-6.6	0	0	0	111.6	M100 E121 E123	N98-M100 PolarHBondContact O-N 3.03Å; N98-E121 PolarHBondContact N-OE2 3.49Å; N98-E121 WeakPolarHBondContact OD1-CB 3.32Å; N98-E123 HydrophobicContact CB-CB 3.94Å; N98-E123 WeakPolarHBondContact OD1-CA 3.34Å; N98-E123 WeakPolarHBondContact OD1-CB 3.37Å; N98-E123 PolarHBondContact OD1-N 3.01Å
99	N	86.1	Confident	92.8	Very high	61 Å²	61	58.5 Å²	58.5	33%	0.326	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	12.1	176.4	-59.5	-65	0	0	0	115.5	K97 F101 S102 E123 F126	K97-N99 PolarHBondContact O-N 3.13Å; N99-F101 PolarHBondContact O-N 2.84Å; N99-F101 VanDerWaalsContact O-N 3.17Å; N99-S102 WeakPolarHBondContact O-CB 3.46Å; N99-S102 PolarHBondContact O-N 3.38Å; N99-S102 PolarHBondContact O-OG 3.04Å; N99-E123 PolarHBondContact N-O 3.42Å; N99-E123 PolarHBondContact ND2-OE2 3Å; N99-F126 WeakPolarHBondContact OD1-CB 3.13Å; N99-F126 WeakPolarHBondContact OD1-CD1 3.4Å; N99-F126 VanDerWaalsContact OD1-CG 3.29Å; N99-F126 WeakPolarHBondContact OD1-CG 3.44Å
100	M	88.6	Confident	92.9	Very high	42 Å²	42	58.5 Å²	58.5	21%	0.207	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.1	-178	176.4	168.8	-80.5	0	0	113.3	V75 L96 K97 N98	V75-M100 HydrophobicContact CB-CG 3.87Å; V75-M100 HydrophobicContact CB-SD 4.14Å; V75-M100 HydrophobicContact CG1-CG 4.43Å; V75-M100 HydrophobicContact CG2-CG 4.03Å; V75-M100 HydrophobicContact CG2-SD 3.9Å; L96-M100 HydrophobicContact CD2-SD 4.18Å; K97-M100 HydrophobicContact CB-CE 4.27Å; K97-M100 HydrophobicContact CG-CE 4.47Å; K97-M100 WeakPolarHBondContact O-CB 3.5Å; K97-M100 PolarHBondContact O-N 3.33Å; N98-M100 PolarHBondContact O-N 3.03Å
101	F	93.5	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	7.7	-179.2	-56.4	-82.5	0	0	0	114.4	V75 M86 L88 L96 N99 K103 F104 L110 L112 A124 F125 L128	V75-F101 HydrophobicContact CG2-CD1 4.45Å; V75-F101 HydrophobicContact CG2-CE1 3.62Å; V75-F101 HydrophobicContact CG2-CZ 3.92Å; M86-F101 HydrophobicContact SD-CD1 4.15Å; M86-F101 HydrophobicContact SD-CE1 4Å; L88-F101 HydrophobicContact CD1-CE1 4.16Å; L96-F101 HydrophobicContact CD2-CE2 4.25Å; L96-F101 HydrophobicContact CD2-CZ 4.37Å; N99-F101 PolarHBondContact O-N 2.84Å; N99-F101 VanDerWaalsContact O-N 3.17Å; F101-K103 PolarHBondContact O-N 3.29Å; F101-F104 HydrophobicContact CB-CD2 4.26Å; F101-F104 HydrophobicContact CD1-CD2 4.33Å; F101-F104 PolarHBondContact O-N 2.73Å; F101-L110 HydrophobicContact CD1-CD1 4.49Å; F101-L110 HydrophobicContact CD1-CD2 4.27Å; F101-L110 HydrophobicContact CD2-CD2 4.35Å; F101-L110 HydrophobicContact CE1-CD1 3.94Å; F101-L110 HydrophobicContact CE1-CD2 4.06Å; F101-L110 HydrophobicContact CE2-CD2 4.16Å; F101-L110 HydrophobicContact CG-CD2 4.41Å; F101-L110 HydrophobicContact CZ-CD1 4.39Å; F101-L110 HydrophobicContact CZ-CD2 4.02Å; F101-L112 HydrophobicContact CZ-CD1 4.16Å; F101-L112 HydrophobicContact CZ-CD2 4.39Å; F101-A124 WeakPolarHBondContact CD2-O 3.09Å; F101-F125 HydrophobicContact CD2-CD1 4.26Å; F101-F125 HydrophobicContact CE2-CD1 4.47Å; F101-F125 HydrophobicContact CE2-CE1 4.36Å; F101-L128 HydrophobicContact CB-CD1 3.78Å; F101-L128 HydrophobicContact CB-CD2 3.82Å; F101-L128 HydrophobicContact CB-CG 3.93Å; F101-L128 HydrophobicContact CD2-CD1 4.45Å; F101-L128 HydrophobicContact CG-CD1 4.21Å
102	S	91.2	Very high	93.2	Very high	34 Å²	34	52.7 Å²	52.7	24%	0.238	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-26	-171.9	57.4	0	0	0	0	115.5	N99 K105 F126	N99-S102 WeakPolarHBondContact O-CB 3.46Å; N99-S102 PolarHBondContact O-N 3.38Å; N99-S102 PolarHBondContact O-OG 3.04Å; S102-K105 WeakPolarHBondContact O-CG 3.21Å; S102-F126 VanDerWaalsContact CA-O 3.24Å; S102-F126 WeakPolarHBondContact CA-O 3.42Å
103	K	89.6	Confident	93.4	Very high	101 Å²	101	49.7 Å²	49.7	44%	0.439	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-21.3	178.1	-62	-172.1	-178.5	-177.3	0	113.4	Q81 F101 K105	Q81-K103 HydrophobicContact CG-CB 4.37Å; F101-K103 PolarHBondContact O-N 3.29Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.34Å
104	F	93.1	Very high	93.5	Very high	5 Å²	5	52.7 Å²	52.7	2%	0.022	24%	0.243	C	C	.	.			trans	-94.9	53.9	-173.5	-49.9	-71.3	0	0	0	111.5	V75 W79 P80 L83 M86 F101 K106 L107 L128	V75-F104 HydrophobicContact CG1-CE2 4.04Å; W79-F104 HydrophobicContact CB-CE1 3.87Å; W79-F104 HydrophobicContact CB-CZ 3.94Å; W79-F104 HydrophobicContact CE3-CZ 4.13Å; P80-F104 WeakPolarHBondContact O-CD1 3.48Å; P80-F104 WeakPolarHBondContact O-CE1 3.45Å; L83-F104 HydrophobicContact CD1-CD1 4.26Å; L83-F104 HydrophobicContact CD1-CE1 4.23Å; M86-F104 HydrophobicContact CE-CD1 3.91Å; M86-F104 HydrophobicContact CE-CD2 3.76Å; M86-F104 HydrophobicContact CE-CE1 3.96Å; M86-F104 HydrophobicContact CE-CE2 3.82Å; M86-F104 HydrophobicContact CE-CG 3.82Å; M86-F104 HydrophobicContact CE-CZ 3.92Å; F101-F104 HydrophobicContact CB-CD2 4.26Å; F101-F104 HydrophobicContact CD1-CD2 4.33Å; F101-F104 PolarHBondContact O-N 2.73Å; F104-K106 PolarHBondContact O-N 3.04Å; F104-L107 HydrophobicContact CB-CB 4.24Å; F104-L107 WeakPolarHBondContact O-CB 3.15Å; F104-L107 PolarHBondContact O-N 3.05Å; F104-L128 HydrophobicContact CB-CD2 4.46Å; F104-L128 WeakPolarHBondContact O-CD2 3.32Å
105	K	92.3	Very high	93.7	Very high	134 Å²	134	46.1 Å²	46.1	58%	0.583	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.5	-172.8	-59.4	-175.2	178.8	-174.7	0	114.7	S102 K103 N129	S102-K105 WeakPolarHBondContact O-CG 3.21Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-K105 PolarHBondContact O-N 3.34Å; K105-N129 PolarHBondContact O-OD1 2.88Å
106	K	94.3	Very high	93.9	Very high	125 Å²	125	45.9 Å²	45.9	54%	0.543	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.1	179.7	-63.5	-174.8	179	179.2	0	113.4	L83 L84 F104 K108	L83-K106 CarbonylContact O-C 3.52Å; L84-K106 HydrophobicContact CD2-CB 3.91Å; L84-K106 WeakPolarHBondContact CD2-O 3.4Å; F104-K106 PolarHBondContact O-N 3.04Å; K106-K108 PolarHBondContact O-N 3.16Å
107	L	97.1	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.216	C	C	.	.			trans	-63.2	126	-171.9	-160.6	73.4	0	0	0	111.2	L83 M86 F104 L110 L128 K130 L131	L83-L107 HydrophobicContact CB-CD1 4.3Å; M86-L107 HydrophobicContact CB-CD1 3.75Å; M86-L107 HydrophobicContact CB-CD2 4.21Å; F104-L107 HydrophobicContact CB-CB 4.24Å; F104-L107 WeakPolarHBondContact O-CB 3.15Å; F104-L107 PolarHBondContact O-N 3.05Å; L107-L110 HydrophobicContact CD2-CB 3.97Å; L107-L110 HydrophobicContact CD2-CD1 4.25Å; L107-L110 HydrophobicContact CD2-CD2 4.5Å; L107-L110 HydrophobicContact CD2-CG 4.47Å; L107-L128 HydrophobicContact CB-CD2 4.06Å; L107-L128 HydrophobicContact CD2-CD2 4.09Å; L107-K130 CarbonylContact O-C 3.32Å; L107-L131 HydrophobicContact CB-CD1 4.49Å; L107-L131 HydrophobicContact CD2-CD1 4.08Å; L107-L131 HydrophobicContact CG-CD1 4.15Å; L107-L131 VanDerWaalsContact O-CA 3.29Å; L107-L131 WeakPolarHBondContact O-CA 3.36Å; L107-L131 PolarHBondContact O-N 3.28Å; L107-L131 VanDerWaalsContact O-N 3.1Å
108	K	95.2	Very high	94.3	Very high	78 Å²	78	43 Å²	43	34%	0.339	21%	0.212	S	C	.	.			trans	-99.9	-33.2	177	-63.5	-177.4	-175.8	177.1	0	112.5	E62 L84 K106 T132 T133	E62-K108 IonicContact OE1-NZ 3.81Å; E62-K108 PolarHBondContact OE1-NZ 2.77Å; L84-K108 HydrophobicContact CB-CD 4.5Å; L84-K108 HydrophobicContact CB-CG 4.5Å; L84-K108 HydrophobicContact CD1-CD 4.49Å; L84-K108 HydrophobicContact CD2-CD 4.48Å; L84-K108 HydrophobicContact CD2-CG 4.33Å; L84-K108 WeakPolarHBondContact O-CA 3.39Å; L84-K108 PolarHBondContact O-N 3.01Å; K106-K108 PolarHBondContact O-N 3.16Å; K108-T132 PolarHBondContact O-N 3.41Å; K108-T132 PolarHBondContact O-OG1 3.43Å; K108-T133 PolarHBondContact O-N 3.34Å; K108-T133 VanDerWaalsContact O-N 3.14Å
109	S	97.4	Very high	94.5	Very high	18 Å²	18	46 Å²	46	13%	0.126	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	134.3	180	-168.6	0	0	0	0	112.2	L84 H85 M86 T133	L84-S109 PolarHBondContact O-N 3.29Å; L84-S109 VanDerWaalsContact O-N 3.1Å; H85-S109 WeakPolarHBondContact CA-O 3.39Å; H85-S109 WeakPolarHBondContact ND1-CB 3.24Å; M86-S109 PolarHBondContact N-O 2.81Å; S109-T133 WeakPolarHBondContact CA-O 3.27Å; S109-T133 WeakPolarHBondContact OG-CG2 3.45Å
110	L	98.1	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	113.7	176.3	179.4	56.5	0	0	0	109.6	M86 L88 F101 L107 L112 F125 L128 L131 T133 L134 L135	M86-L110 HydrophobicContact CB-CD1 4.01Å; M86-L110 HydrophobicContact CG-CD1 4.04Å; M86-L110 HydrophobicContact SD-CD1 4.04Å; L88-L110 HydrophobicContact CD1-CD1 4.18Å; F101-L110 HydrophobicContact CD1-CD1 4.49Å; F101-L110 HydrophobicContact CD1-CD2 4.27Å; F101-L110 HydrophobicContact CD2-CD2 4.35Å; F101-L110 HydrophobicContact CE1-CD1 3.94Å; F101-L110 HydrophobicContact CE1-CD2 4.06Å; F101-L110 HydrophobicContact CE2-CD2 4.16Å; F101-L110 HydrophobicContact CG-CD2 4.41Å; F101-L110 HydrophobicContact CZ-CD1 4.39Å; F101-L110 HydrophobicContact CZ-CD2 4.02Å; L107-L110 HydrophobicContact CD2-CB 3.97Å; L107-L110 HydrophobicContact CD2-CD1 4.25Å; L107-L110 HydrophobicContact CD2-CD2 4.5Å; L107-L110 HydrophobicContact CD2-CG 4.47Å; L110-L112 HydrophobicContact CD1-CD1 4.32Å; L110-L112 HydrophobicContact CD1-CG 4.1Å; L110-L112 HydrophobicContact CD2-CD1 3.79Å; L110-L112 HydrophobicContact CD2-CG 4.43Å; L110-L112 HydrophobicContact CG-CD1 3.88Å; L110-L112 HydrophobicContact CG-CG 3.99Å; L110-F125 HydrophobicContact CD2-CD1 4.29Å; L110-F125 HydrophobicContact CD2-CE1 4.07Å; L110-L128 HydrophobicContact CD2-CD1 4.06Å; L110-L131 HydrophobicContact CB-CD1 3.76Å; L110-L131 HydrophobicContact CB-CD2 4.43Å; L110-T133 PolarHBondContact N-O 3.38Å; L110-L134 HydrophobicContact CB-CD1 4.11Å; L110-L134 HydrophobicContact CD2-CD1 4.05Å; L110-L134 HydrophobicContact CG-CD1 4.07Å; L110-L134 WeakPolarHBondContact O-CA 3.5Å; L110-L135 PolarHBondContact O-N 3.28Å
111	D	97.8	Very high	95	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.053	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.9	176.6	-173.8	4.1	0	0	0	110.9	M86 L87 L88 A89 Q113 L135	M86-D111 PolarHBondContact O-N 2.97Å; L87-D111 HydrophobicContact CD2-CB 4.14Å; L88-D111 CarbonylContact C-O 3.54Å; L88-D111 VanDerWaalsContact C-O 3.32Å; L88-D111 VanDerWaalsContact CA-O 3.24Å; L88-D111 WeakPolarHBondContact CA-O 3.42Å; L88-D111 VanDerWaalsContact CB-O 3.3Å; L88-D111 WeakPolarHBondContact CB-O 3.45Å; L88-D111 PolarHBondContact N-O 2.01Å; A89-D111 PolarHBondContact N-O 3.42Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.41Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.38Å; D111-Q113 PolarHBondContact OD1-N 3.17Å; D111-Q113 PolarHBondContact OD1-NE2 2.95Å; D111-Q113 PolarHBondContact OD2-NE2 3.29Å; D111-L135 HydrophobicContact CB-CD1 4.07Å; D111-L135 WeakPolarHBondContact OD1-CB 3.46Å
112	L	97.7	Very high	94.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.			trans	-117.6	16.4	177.8	-72.9	166.4	0	0	0	111.7	L88 I93 L96 F101 L110 N115 I117 F125 L134 L135 L136 N139	L88-L112 HydrophobicContact CB-CD2 3.94Å; L88-L112 HydrophobicContact CD1-CD2 3.92Å; I93-L112 HydrophobicContact CD1-CD2 3.99Å; L96-L112 HydrophobicContact CD1-CD1 3.83Å; L96-L112 HydrophobicContact CD2-CD1 4.29Å; F101-L112 HydrophobicContact CZ-CD1 4.16Å; F101-L112 HydrophobicContact CZ-CD2 4.39Å; L110-L112 HydrophobicContact CD1-CD1 4.32Å; L110-L112 HydrophobicContact CD1-CG 4.1Å; L110-L112 HydrophobicContact CD2-CD1 3.79Å; L110-L112 HydrophobicContact CD2-CG 4.43Å; L110-L112 HydrophobicContact CG-CD1 3.88Å; L110-L112 HydrophobicContact CG-CG 3.99Å; L112-N115 PolarHBondContact O-ND2 2.95Å; L112-I117 HydrophobicContact CB-CD1 3.99Å; L112-I117 HydrophobicContact CD1-CD1 4.47Å; L112-I117 HydrophobicContact CD2-CD1 4.4Å; L112-F125 HydrophobicContact CD1-CE1 4.32Å; L112-L134 HydrophobicContact CD1-CD1 4.39Å; L112-L135 CarbonylContact C-O 3.55Å; L112-L135 VanDerWaalsContact C-O 3.29Å; L112-L135 WeakPolarHBondContact CA-O 3.5Å; L112-L135 WeakPolarHBondContact CB-O 3.47Å; L112-L135 PolarHBondContact N-O 3.29Å; L112-L136 HydrophobicContact CB-CD2 3.96Å; L112-L136 HydrophobicContact CD1-CD2 4.13Å; L112-N139 PolarHBondContact O-ND2 3.48Å
113	Q	97.1	Very high	94.6	Very high	34 Å²	34	48.9 Å²	48.9	16%	0.159	24%	0.236	C	C	.	.			trans	-64.2	156.6	-178.4	77.4	-171.5	-47.8	0	0	112.1	A89 R90 D111 N115 L135 Q137	A89-Q113 VanDerWaalsContact CA-O 3.22Å; A89-Q113 WeakPolarHBondContact CA-O 3.41Å; A89-Q113 HydrophobicContact CB-CG 3.64Å; R90-Q113 PolarHBondContact N-O 2.6Å; R90-Q113 VanDerWaalsContact N-O 3.15Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.41Å; D111-Q113 WeakPolarHBondContact OD1-CG 3.38Å; D111-Q113 PolarHBondContact OD1-N 3.17Å; D111-Q113 PolarHBondContact OD1-NE2 2.95Å; D111-Q113 PolarHBondContact OD2-NE2 3.29Å; Q113-N115 VanDerWaalsContact C-N 3.28Å; Q113-N115 PolarHBondContact O-N 2.84Å; Q113-N115 PolarHBondContact O-ND2 3.24Å; Q113-L135 HydrophobicContact CB-CB 4.47Å; Q113-L135 PolarHBondContact N-O 2.77Å; Q113-Q137 VanDerWaalsContact CA-O 3.24Å; Q113-Q137 WeakPolarHBondContact CA-O 3.26Å; Q113-Q137 HydrophobicContact CB-CG 3.9Å; Q113-Q137 WeakPolarHBondContact CB-O 3.39Å
114	Q	97.1	Very high	94.7	Very high	63 Å²	63	44.1 Å²	44.1	29%	0.294	22%	0.215	S	C	.	.	S	Bend	trans	56	43.1	174.9	-60.8	-179.3	-7	0	0	112.7	R90 Q137 H138	R90-Q114 WeakPolarHBondContact CA-O 3.27Å; R90-Q114 HydrophobicContact CG-CB 4.02Å; R90-Q114 PolarHBondContact N-O 3.27Å; Q114-Q137 PolarHBondContact N-O 2.99Å; Q114-Q137 VanDerWaalsContact N-O 3.07Å; Q114-H138 WeakPolarHBondContact CA-O 3.15Å; Q114-H138 HydrophobicContact CB-CB 4.45Å; Q114-H138 HydrophobicContact CG-CB 3.67Å; Q114-H138 PolarHBondContact N-O 2.8Å
115	N	96.7	Very high	94.7	Very high	9 Å²	9	43.9 Å²	43.9	5%	0.048	21%	0.214	C	C	.	.	S	Bend	trans	-108.5	-169.1	170.2	-85.8	-86.1	0	0	0	109.8	L88 N91 K92 I93 L112 Q113 I117 N139	L88-N115 PolarHBondContact O-ND2 3.4Å; N91-N115 VanDerWaalsContact CA-OD1 3.24Å; N91-N115 WeakPolarHBondContact CA-OD1 3.4Å; N91-N115 WeakPolarHBondContact CB-OD1 3.31Å; N91-N115 PolarHBondContact N-OD1 3.03Å; N91-N115 PolarHBondContact O-OD1 2.92Å; K92-N115 PolarHBondContact N-OD1 2.97Å; I93-N115 HydrophobicContact CB-CB 4.42Å; I93-N115 WeakPolarHBondContact CB-OD1 3.32Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.31Å; I93-N115 PolarHBondContact N-OD1 2.89Å; I93-N115 VanDerWaalsContact N-OD1 3.14Å; L112-N115 PolarHBondContact O-ND2 2.95Å; Q113-N115 VanDerWaalsContact C-N 3.28Å; Q113-N115 PolarHBondContact O-N 2.84Å; Q113-N115 PolarHBondContact O-ND2 3.24Å; N115-I117 HydrophobicContact CB-CD1 4.07Å; N115-I117 HydrophobicContact CB-CG1 3.88Å; N115-N139 VanDerWaalsContact CA-OD1 3.25Å; N115-N139 WeakPolarHBondContact CA-OD1 3.48Å; N115-N139 WeakPolarHBondContact CB-OD1 3.28Å; N115-N139 PolarHBondContact N-OD1 3.47Å; N115-N139 PolarHBondContact O-OD1 3.14Å
116	E	96.4	Very high	94.7	Very high	66 Å²	66	41.8 Å²	41.8	31%	0.308	21%	0.205	S	C	.	.			trans	-107.4	27.3	176.2	-65.5	177	-155.7	0	0	111.1	I93 R94 S118	I93-E116 CarbonylContact O-C 3.07Å; I93-E116 WeakPolarHBondContact O-CA 3.28Å; I93-E116 PolarHBondContact O-N 2.97Å; R94-E116 WeakPolarHBondContact CA-O 3.5Å; R94-E116 HydrophobicContact CG-CB 3.8Å; R94-E116 IonicContact CZ-OE2 3.31Å; R94-E116 VanDerWaalsContact CZ-OE2 3.31Å; R94-E116 IonicContact NE-OE2 2.83Å; R94-E116 PolarHBondContact NE-OE2 3.21Å; R94-E116 IonicContact NH2-OE2 2.9Å; R94-E116 PolarHBondContact NH2-OE2 3.49Å; E116-S118 PolarHBondContact O-N 2.83Å
117	I	97.9	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.			trans	-68.1	117.4	-169.2	-59.2	167.3	0	0	0	109.6	I93 R94 L96 L112 N115 I120 L136 N139 Q140 I141	I93-I117 HydrophobicContact CB-CG1 4.36Å; I93-I117 HydrophobicContact CG2-CG1 4.21Å; I93-I117 WeakPolarHBondContact O-CG1 3.02Å; I93-I117 PolarHBondContact O-N 2.75Å; R94-I117 CarbonylContact O-C 3.6Å; R94-I117 WeakPolarHBondContact O-CA 3.33Å; L96-I117 HydrophobicContact CD1-CD1 4.26Å; L96-I117 HydrophobicContact CD2-CD1 4.11Å; L96-I117 HydrophobicContact CG-CD1 4.23Å; L96-I117 HydrophobicContact CG-CG2 4.19Å; L112-I117 HydrophobicContact CB-CD1 3.99Å; L112-I117 HydrophobicContact CD1-CD1 4.47Å; L112-I117 HydrophobicContact CD2-CD1 4.4Å; N115-I117 HydrophobicContact CB-CD1 4.07Å; N115-I117 HydrophobicContact CB-CG1 3.88Å; I117-I120 HydrophobicContact CG2-CD1 4.28Å; I117-I120 HydrophobicContact CG2-CG1 3.83Å; I117-L136 HydrophobicContact CD1-CD2 4.21Å; I117-N139 HydrophobicContact CB-CB 4.18Å; I117-N139 WeakPolarHBondContact CB-OD1 3.46Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.08Å; I117-N139 PolarHBondContact N-OD1 3Å; I117-N139 VanDerWaalsContact N-OD1 3.08Å; I117-Q140 CarbonylContact O-C 3.11Å; I117-Q140 VanDerWaalsContact O-CA 3.25Å; I117-Q140 WeakPolarHBondContact O-CA 3.21Å; I117-Q140 PolarHBondContact O-N 2.93Å; I117-I141 HydrophobicContact CG2-CD1 4.49Å; I117-I141 HydrophobicContact CG2-CG1 4.22Å; I117-I141 WeakPolarHBondContact O-CG1 3.42Å; I117-I141 PolarHBondContact O-N 3.07Å; I117-I141 VanDerWaalsContact O-N 3.15Å
118	S	95.2	Very high	94.2	Very high	65 Å²	65	36.7 Å²	36.7	46%	0.455	19%	0.188	S	C	.	.			trans	-113.7	-24.4	178.4	61.9	0	0	0	0	113.6	R94 E116 Q140	R94-S118 PolarHBondContact O-N 2.92Å; R94-S118 PolarHBondContact O-OG 3.13Å; E116-S118 PolarHBondContact O-N 2.83Å; S118-Q140 WeakPolarHBondContact CA-O 3.32Å
119	K	92.4	Very high	93.8	Very high	122 Å²	122	36.8 Å²	36.8	53%	0.53	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.4	178.9	-173.1	178.4	-179	-175.4	0	110.9	I95 L96	I95-K119 WeakPolarHBondContact CA-O 3.48Å; I95-K119 HydrophobicContact CG1-CB 4.44Å; I95-K119 HydrophobicContact CG2-CB 4.41Å; L96-K119 PolarHBondContact N-O 2.83Å
120	I	96.1	Very high	93.6	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.097	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.3	171.7	-57	-178.6	0	0	0	106.1	L96 I117 A124 F125 L136 I141 L144 V148	L96-I120 HydrophobicContact CB-CG1 4.38Å; L96-I120 HydrophobicContact CB-CG2 4.25Å; L96-I120 HydrophobicContact CD1-CD1 4.05Å; L96-I120 HydrophobicContact CD1-CG1 3.97Å; L96-I120 HydrophobicContact CD1-CG2 4.3Å; L96-I120 HydrophobicContact CG-CG1 4.27Å; I117-I120 HydrophobicContact CG2-CD1 4.28Å; I117-I120 HydrophobicContact CG2-CG1 3.83Å; I120-A124 HydrophobicContact CG2-CB 3.71Å; I120-F125 HydrophobicContact CD1-CZ 4.48Å; I120-F125 HydrophobicContact CG2-CE2 3.86Å; I120-F125 HydrophobicContact CG2-CZ 4.32Å; I120-L136 HydrophobicContact CD1-CD1 4.15Å; I120-L136 HydrophobicContact CD1-CD2 4.32Å; I120-I141 HydrophobicContact CD1-CD1 3.82Å; I120-L144 HydrophobicContact CB-CD1 3.95Å; I120-L144 HydrophobicContact CD1-CD1 3.96Å; I120-L144 HydrophobicContact CG1-CD1 4.36Å; I120-L144 HydrophobicContact CG2-CD1 4.35Å; I120-V148 HydrophobicContact CG2-CB 4.4Å; I120-V148 HydrophobicContact CG2-CG1 3.96Å
121	E	89.1	Confident	93.6	Very high	55 Å²	55	41.2 Å²	41.2	26%	0.257	21%	0.209	S	C	.	.			trans	-76.3	156.8	175.5	-60.2	179	168.7	0	0	110.7	L96 K97 N98 E123 A124	L96-E121 PolarHBondContact O-N 3.1Å; K97-E121 WeakPolarHBondContact CA-OE2 3.45Å; N98-E121 PolarHBondContact N-OE2 3.49Å; N98-E121 WeakPolarHBondContact OD1-CB 3.32Å; E121-E123 VanDerWaalsContact C-N 3.3Å; E121-E123 PolarHBondContact O-N 2.94Å; E121-A124 WeakPolarHBondContact O-CB 3.08Å; E121-A124 PolarHBondContact O-N 3.42Å
122	S	85.5	Confident	93.3	Very high	55 Å²	55	43 Å²	43	39%	0.385	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-36.9	-170.4	47.1	0	0	0	0	113.8	Y151	S122-Y151 WeakPolarHBondContact O-CE2 3.4Å
123	E	89.5	Confident	93.2	Very high	68 Å²	68	44.5 Å²	44.5	32%	0.318	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19.3	-179.7	-51.4	179.2	175.1	0	0	112.6	N98 N99 E121 F125 F126 Y151	N98-E123 HydrophobicContact CB-CB 3.94Å; N98-E123 WeakPolarHBondContact OD1-CA 3.34Å; N98-E123 WeakPolarHBondContact OD1-CB 3.37Å; N98-E123 PolarHBondContact OD1-N 3.01Å; N99-E123 PolarHBondContact N-O 3.42Å; N99-E123 PolarHBondContact ND2-OE2 3Å; E121-E123 VanDerWaalsContact C-N 3.3Å; E121-E123 PolarHBondContact O-N 2.94Å; E123-F125 PolarHBondContact O-N 3.27Å; E123-F126 HydrophobicContact CB-CB 4.16Å; E123-F126 VanDerWaalsContact O-CB 3.26Å; E123-F126 WeakPolarHBondContact O-CB 3.42Å; E123-F126 PolarHBondContact O-N 3.07Å; E123-F126 VanDerWaalsContact O-N 3.07Å; E123-Y151 HydrophobicContact CB-CE2 4.3Å; E123-Y151 HydrophobicContact CG-CE2 4.24Å
124	A	91.6	Very high	93.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-36	-176.3	0	0	0	0	0	112.9	L96 K97 F101 I120 E121	L96-A124 HydrophobicContact CB-CB 3.83Å; K97-A124 WeakPolarHBondContact O-CA 3.22Å; F101-A124 WeakPolarHBondContact CD2-O 3.09Å; I120-A124 HydrophobicContact CG2-CB 3.71Å; E121-A124 WeakPolarHBondContact O-CB 3.08Å; E121-A124 PolarHBondContact O-N 3.42Å
125	F	94.9	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	13.3	179.6	-56	-62.4	0	0	0	113.7	L96 F101 L110 L112 I120 E123 G127 L128 L134 L136 V148 Y151 T152	L96-F125 HydrophobicContact CD1-CE1 3.88Å; L96-F125 HydrophobicContact CD1-CZ 3.64Å; F101-F125 HydrophobicContact CD2-CD1 4.26Å; F101-F125 HydrophobicContact CE2-CD1 4.47Å; F101-F125 HydrophobicContact CE2-CE1 4.36Å; L110-F125 HydrophobicContact CD2-CD1 4.29Å; L110-F125 HydrophobicContact CD2-CE1 4.07Å; L112-F125 HydrophobicContact CD1-CE1 4.32Å; I120-F125 HydrophobicContact CD1-CZ 4.48Å; I120-F125 HydrophobicContact CG2-CE2 3.86Å; I120-F125 HydrophobicContact CG2-CZ 4.32Å; E123-F125 PolarHBondContact O-N 3.27Å; F125-G127 PolarHBondContact O-N 2.82Å; F125-L128 HydrophobicContact CB-CD1 4.15Å; F125-L128 HydrophobicContact CD1-CD1 3.92Å; F125-L128 WeakPolarHBondContact O-CB 3.13Å; F125-L128 WeakPolarHBondContact O-CG 3.23Å; F125-L128 PolarHBondContact O-N 3.27Å; F125-L128 VanDerWaalsContact O-N 3.15Å; F125-L134 HydrophobicContact CE1-CD1 4.18Å; F125-L134 HydrophobicContact CE1-CD2 4.19Å; F125-L134 HydrophobicContact CE2-CD2 4.14Å; F125-L134 HydrophobicContact CZ-CD1 4.38Å; F125-L134 HydrophobicContact CZ-CD2 3.88Å; F125-L136 HydrophobicContact CZ-CD1 4.47Å; F125-V148 HydrophobicContact CD2-CB 4.3Å; F125-V148 WeakPolarHBondContact CD2-O 3.33Å; F125-V148 HydrophobicContact CE2-CB 4.47Å; F125-Y151 WeakPolarHBondContact O-CB 3.35Å; F125-T152 HydrophobicContact CB-CG2 3.98Å
126	F	90.9	Very high	93.3	Very high	91 Å²	91	40.3 Å²	40.3	40%	0.399	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	134.4	177.3	-178.6	-92.6	0	0	0	111.6	N99 S102 E123 Y151	N99-F126 WeakPolarHBondContact OD1-CB 3.13Å; N99-F126 WeakPolarHBondContact OD1-CD1 3.4Å; N99-F126 VanDerWaalsContact OD1-CG 3.29Å; N99-F126 WeakPolarHBondContact OD1-CG 3.44Å; S102-F126 VanDerWaalsContact CA-O 3.24Å; S102-F126 WeakPolarHBondContact CA-O 3.42Å; E123-F126 HydrophobicContact CB-CB 4.16Å; E123-F126 VanDerWaalsContact O-CB 3.26Å; E123-F126 WeakPolarHBondContact O-CB 3.42Å; E123-F126 PolarHBondContact O-N 3.07Å; E123-F126 VanDerWaalsContact O-N 3.07Å; F126-Y151 HydrophobicContact CB-CG 4.39Å; F126-Y151 AromaticContact CD2-CD1 3.62Å; F126-Y151 HydrophobicContact CD2-CD1 3.62Å; F126-Y151 AromaticContact CD2-CE1 3.55Å; F126-Y151 HydrophobicContact CD2-CE1 3.55Å; F126-Y151 HydrophobicContact CD2-CG 4.3Å; F126-Y151 HydrophobicContact CE2-CD1 4.32Å; F126-Y151 HydrophobicContact CE2-CE1 4.11Å; F126-Y151 HydrophobicContact CG-CD1 4.48Å
127	G	86.5	Confident	93.3	Very high	17 Å²	17	37.2 Å²	37.2	18%	0.175	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-5.1	180	0	0	0	0	0	115.7	F125 N129	F125-G127 PolarHBondContact O-N 2.82Å; G127-N129 PolarHBondContact O-N 3.27Å; G127-N129 VanDerWaalsContact O-N 3.07Å
128	L	94.1	Very high	93.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.			trans	-84.6	48.1	179.4	-63.9	-172.1	0	0	0	113.7	F101 F104 L107 L110 F125 K130 L131 Y151 T152	F101-L128 HydrophobicContact CB-CD1 3.78Å; F101-L128 HydrophobicContact CB-CD2 3.82Å; F101-L128 HydrophobicContact CB-CG 3.93Å; F101-L128 HydrophobicContact CD2-CD1 4.45Å; F101-L128 HydrophobicContact CG-CD1 4.21Å; F104-L128 HydrophobicContact CB-CD2 4.46Å; F104-L128 WeakPolarHBondContact O-CD2 3.32Å; L107-L128 HydrophobicContact CB-CD2 4.06Å; L107-L128 HydrophobicContact CD2-CD2 4.09Å; L110-L128 HydrophobicContact CD2-CD1 4.06Å; F125-L128 HydrophobicContact CB-CD1 4.15Å; F125-L128 HydrophobicContact CD1-CD1 3.92Å; F125-L128 WeakPolarHBondContact O-CB 3.13Å; F125-L128 WeakPolarHBondContact O-CG 3.23Å; F125-L128 PolarHBondContact O-N 3.27Å; F125-L128 VanDerWaalsContact O-N 3.15Å; L128-K130 PolarHBondContact O-N 2.85Å; L128-K130 VanDerWaalsContact O-N 3.15Å; L128-L131 HydrophobicContact CB-CB 4.09Å; L128-L131 HydrophobicContact CD1-CD2 4.11Å; L128-L131 VanDerWaalsContact O-CB 3.27Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.25Å; L128-L131 VanDerWaalsContact O-N 3.08Å; L128-Y151 CarbonylContact C-O 3.56Å; L128-T152 HydrophobicContact CB-CG2 4.02Å
129	N	87.9	Confident	93.5	Very high	80 Å²	80	37.3 Å²	37.3	43%	0.428	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.2	-173.2	65.1	11	0	0	0	115.2	K105 G127	K105-N129 PolarHBondContact O-OD1 2.88Å; G127-N129 PolarHBondContact O-N 3.27Å; G127-N129 VanDerWaalsContact O-N 3.07Å
130	K	94	Very high	93.7	Very high	111 Å²	111	36.6 Å²	36.6	48%	0.483	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0.2	175.1	-63.1	-50.9	-177.4	-174.9	0	114	L107 L128 T132 L154	L107-K130 CarbonylContact O-C 3.32Å; L128-K130 PolarHBondContact O-N 2.85Å; L128-K130 VanDerWaalsContact O-N 3.15Å; K130-T132 PolarHBondContact O-N 3.37Å; K130-L154 HydrophobicContact CD-CD1 4.21Å
131	L	96.9	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.			trans	-70.4	126	-173.7	-163.5	77	0	0	0	110.9	L107 L110 L128 L134 T152 L154 L155	L107-L131 HydrophobicContact CB-CD1 4.49Å; L107-L131 HydrophobicContact CD2-CD1 4.08Å; L107-L131 HydrophobicContact CG-CD1 4.15Å; L107-L131 VanDerWaalsContact O-CA 3.29Å; L107-L131 WeakPolarHBondContact O-CA 3.36Å; L107-L131 PolarHBondContact O-N 3.28Å; L107-L131 VanDerWaalsContact O-N 3.1Å; L110-L131 HydrophobicContact CB-CD1 3.76Å; L110-L131 HydrophobicContact CB-CD2 4.43Å; L128-L131 HydrophobicContact CB-CB 4.09Å; L128-L131 HydrophobicContact CD1-CD2 4.11Å; L128-L131 VanDerWaalsContact O-CB 3.27Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.25Å; L128-L131 VanDerWaalsContact O-N 3.08Å; L131-L134 HydrophobicContact CD2-CB 4.15Å; L131-L134 HydrophobicContact CD2-CD2 4.48Å; L131-T152 HydrophobicContact CB-CG2 4.15Å; L131-T152 HydrophobicContact CD2-CG2 3.8Å; L131-L154 CarbonylContact O-C 3.29Å; L131-L155 PolarHBondContact O-N 2.9Å
132	T	92.7	Very high	94.1	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.288	20%	0.198	S	C	.	.			trans	-113	-27.3	179.9	62.1	0	0	0	0	112.6	K108 K130 L154 S156 Y157	K108-T132 PolarHBondContact O-N 3.41Å; K108-T132 PolarHBondContact O-OG1 3.43Å; K130-T132 PolarHBondContact O-N 3.37Å; T132-L154 WeakPolarHBondContact CA-O 3.47Å; T132-L154 HydrophobicContact CG2-CB 4.35Å; T132-S156 PolarHBondContact O-N 3.13Å; T132-S156 PolarHBondContact O-OG 2.88Å; T132-Y157 PolarHBondContact O-N 2.98Å
133	T	95.3	Very high	94.5	Very high	32 Å²	32	38.8 Å²	38.8	20%	0.196	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	122	-173.5	-61.4	0	0	0	0	109.8	K108 S109 L110 L135 Y157	K108-T133 PolarHBondContact O-N 3.34Å; K108-T133 VanDerWaalsContact O-N 3.14Å; S109-T133 WeakPolarHBondContact CA-O 3.27Å; S109-T133 WeakPolarHBondContact OG-CG2 3.45Å; L110-T133 PolarHBondContact N-O 3.38Å; T133-L135 HydrophobicContact CG2-CD2 3.88Å; T133-L135 HydrophobicContact CG2-CG 4.22Å; T133-Y157 WeakPolarHBondContact CA-O 3.42Å; T133-Y157 HydrophobicContact CG2-CD1 4.03Å
134	L	97.3	Very high	94.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.4	175.8	179.7	55.6	0	0	0	110.2	L110 L112 F125 L131 L136 F149 L155 Y157 L158 R159	L110-L134 HydrophobicContact CB-CD1 4.11Å; L110-L134 HydrophobicContact CD2-CD1 4.05Å; L110-L134 HydrophobicContact CG-CD1 4.07Å; L110-L134 WeakPolarHBondContact O-CA 3.5Å; L112-L134 HydrophobicContact CD1-CD1 4.39Å; F125-L134 HydrophobicContact CE1-CD1 4.18Å; F125-L134 HydrophobicContact CE1-CD2 4.19Å; F125-L134 HydrophobicContact CE2-CD2 4.14Å; F125-L134 HydrophobicContact CZ-CD1 4.38Å; F125-L134 HydrophobicContact CZ-CD2 3.88Å; L131-L134 HydrophobicContact CD2-CB 4.15Å; L131-L134 HydrophobicContact CD2-CD2 4.48Å; L134-L136 HydrophobicContact CD1-CD1 4.48Å; L134-L136 HydrophobicContact CD1-CG 4.16Å; L134-L136 HydrophobicContact CD2-CD1 3.97Å; L134-L136 HydrophobicContact CD2-CG 4.5Å; L134-L136 HydrophobicContact CG-CD1 4.05Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L134-F149 HydrophobicContact CD2-CD1 4.44Å; L134-F149 HydrophobicContact CD2-CE1 3.87Å; L134-L155 HydrophobicContact CB-CD1 3.63Å; L134-Y157 PolarHBondContact N-O 3Å; L134-L158 HydrophobicContact CB-CD1 4.05Å; L134-L158 HydrophobicContact CD2-CD1 4.05Å; L134-L158 HydrophobicContact CG-CD1 3.99Å; L134-L158 WeakPolarHBondContact O-CA 3.44Å; L134-R159 PolarHBondContact O-N 2.86Å; L134-R159 VanDerWaalsContact O-N 3.14Å
135	L	97.4	Very high	94.6	Very high	19 Å²	19	37.8 Å²	37.8	10%	0.099	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.3	-178.1	-47.9	-175	0	0	0	109.3	L110 D111 L112 Q113 T133 Y157 R159	L110-L135 PolarHBondContact O-N 3.28Å; D111-L135 HydrophobicContact CB-CD1 4.07Å; D111-L135 WeakPolarHBondContact OD1-CB 3.46Å; L112-L135 CarbonylContact C-O 3.55Å; L112-L135 VanDerWaalsContact C-O 3.29Å; L112-L135 WeakPolarHBondContact CA-O 3.5Å; L112-L135 WeakPolarHBondContact CB-O 3.47Å; L112-L135 PolarHBondContact N-O 3.29Å; Q113-L135 HydrophobicContact CB-CB 4.47Å; Q113-L135 PolarHBondContact N-O 2.77Å; T133-L135 HydrophobicContact CG2-CD2 3.88Å; T133-L135 HydrophobicContact CG2-CG 4.22Å; L135-Y157 HydrophobicContact CD2-CD1 3.94Å; L135-Y157 HydrophobicContact CD2-CE1 3.93Å; L135-R159 HydrophobicContact CD2-CB 4.29Å; L135-R159 HydrophobicContact CD2-CG 4.09Å
136	L	97.6	Very high	94.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.			trans	-122.2	6.9	-179	-73.3	169.1	0	0	0	112.6	L112 I117 I120 F125 L134 N139 I141 L158 R159 L160 N163	L112-L136 HydrophobicContact CB-CD2 3.96Å; L112-L136 HydrophobicContact CD1-CD2 4.13Å; I117-L136 HydrophobicContact CD1-CD2 4.21Å; I120-L136 HydrophobicContact CD1-CD1 4.15Å; I120-L136 HydrophobicContact CD1-CD2 4.32Å; F125-L136 HydrophobicContact CZ-CD1 4.47Å; L134-L136 HydrophobicContact CD1-CD1 4.48Å; L134-L136 HydrophobicContact CD1-CG 4.16Å; L134-L136 HydrophobicContact CD2-CD1 3.97Å; L134-L136 HydrophobicContact CD2-CG 4.5Å; L134-L136 HydrophobicContact CG-CD1 4.05Å; L134-L136 HydrophobicContact CG-CG 4.06Å; L136-N139 PolarHBondContact O-ND2 3.34Å; L136-I141 HydrophobicContact CB-CD1 4.28Å; L136-I141 HydrophobicContact CD1-CD1 4.5Å; L136-I141 HydrophobicContact CD2-CD1 4.41Å; L136-L158 HydrophobicContact CD1-CD1 4.36Å; L136-R159 CarbonylContact C-O 3.48Å; L136-R159 WeakPolarHBondContact CA-O 3.3Å; L136-R159 PolarHBondContact N-O 2.74Å; L136-L160 HydrophobicContact CB-CD2 4.15Å; L136-L160 HydrophobicContact CD1-CD2 4.15Å; L136-N163 PolarHBondContact O-ND2 3.33Å
137	Q	97.1	Very high	93.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.			trans	-62.7	155.7	179.5	68.1	-85.1	16.7	0	0	112.8	Q113 Q114 N139 R159 Y161	Q113-Q137 VanDerWaalsContact CA-O 3.24Å; Q113-Q137 WeakPolarHBondContact CA-O 3.26Å; Q113-Q137 HydrophobicContact CB-CG 3.9Å; Q113-Q137 WeakPolarHBondContact CB-O 3.39Å; Q114-Q137 PolarHBondContact N-O 2.99Å; Q114-Q137 VanDerWaalsContact N-O 3.07Å; Q137-N139 PolarHBondContact O-ND2 3.18Å; Q137-R159 HydrophobicContact CB-CB 4.4Å; Q137-R159 PolarHBondContact N-O 2.93Å; Q137-Y161 WeakPolarHBondContact CA-O 3.2Å; Q137-Y161 HydrophobicContact CB-CD1 4.06Å; Q137-Y161 HydrophobicContact CB-CD2 4Å; Q137-Y161 HydrophobicContact CB-CE1 3.9Å; Q137-Y161 HydrophobicContact CB-CE2 3.81Å; Q137-Y161 HydrophobicContact CB-CG 4.11Å; Q137-Y161 WeakPolarHBondContact CB-O 2.96Å; Q137-Y161 HydrophobicContact CG-CE1 4.07Å; Q137-Y161 HydrophobicContact CG-CE2 3.98Å
138	H	97.8	Very high	94	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.301	21%	0.206	S	C	.	.	S	Bend	trans	57.2	50.6	-178.6	-52.7	-75.4	0	0	0	112.6	Q114 Y161 D162	Q114-H138 WeakPolarHBondContact CA-O 3.15Å; Q114-H138 HydrophobicContact CB-CB 4.45Å; Q114-H138 HydrophobicContact CG-CB 3.67Å; Q114-H138 PolarHBondContact N-O 2.8Å; H138-Y161 PolarHBondContact N-O 3.11Å; H138-Y161 AromaticContact NE2-CE2 3.62Å; H138-D162 WeakPolarHBondContact CA-O 3.4Å; H138-D162 IonicContact CE1-OD2 3.59Å; H138-D162 PolarHBondContact CE1-OD2 3.35Å; H138-D162 PolarHBondContact N-O 3.18Å; H138-D162 WeakPolarHBondContact ND1-CB 3.21Å; H138-D162 IonicContact ND1-OD2 2.86Å; H138-D162 PolarHBondContact ND1-OD2 3.18Å; H138-D162 VanDerWaalsContact ND1-OD2 3.16Å; H138-D162 IonicContact NE2-OD2 2.72Å
139	N	98.4	Very high	93.7	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.011	21%	0.21	C	C	.	.	S	Bend	trans	-122.4	-166.2	173.4	-85.2	-73.2	0	0	0	109.5	L112 N115 I117 L136 Q137 I141 D162 N163 P164	L112-N139 PolarHBondContact O-ND2 3.48Å; N115-N139 VanDerWaalsContact CA-OD1 3.25Å; N115-N139 WeakPolarHBondContact CA-OD1 3.48Å; N115-N139 WeakPolarHBondContact CB-OD1 3.28Å; N115-N139 PolarHBondContact N-OD1 3.47Å; N115-N139 PolarHBondContact O-OD1 3.14Å; I117-N139 HydrophobicContact CB-CB 4.18Å; I117-N139 WeakPolarHBondContact CB-OD1 3.46Å; I117-N139 WeakPolarHBondContact CG1-OD1 3.08Å; I117-N139 PolarHBondContact N-OD1 3Å; I117-N139 VanDerWaalsContact N-OD1 3.08Å; L136-N139 PolarHBondContact O-ND2 3.34Å; Q137-N139 PolarHBondContact O-ND2 3.18Å; N139-I141 HydrophobicContact CB-CD1 4.32Å; N139-I141 HydrophobicContact CB-CG1 4.17Å; N139-D162 PolarHBondContact N-O 3.15Å; N139-N163 VanDerWaalsContact CA-OD1 3.22Å; N139-N163 WeakPolarHBondContact CA-OD1 3.3Å; N139-N163 WeakPolarHBondContact CB-OD1 3.28Å; N139-N163 PolarHBondContact N-OD1 3Å; N139-N163 PolarHBondContact O-OD1 3.4Å; N139-P164 WeakPolarHBondContact O-CD 3.24Å
140	Q	97.8	Very high	93.4	Very high	108 Å²	108	44.3 Å²	44.3	51%	0.505	22%	0.218	S	C	.	.			trans	-116.2	27.8	-177.8	-60.9	-61	-28.4	0	0	112.1	I117 S118 K142 N163	I117-Q140 CarbonylContact O-C 3.11Å; I117-Q140 VanDerWaalsContact O-CA 3.25Å; I117-Q140 WeakPolarHBondContact O-CA 3.21Å; I117-Q140 PolarHBondContact O-N 2.93Å; S118-Q140 WeakPolarHBondContact CA-O 3.32Å; Q140-K142 PolarHBondContact O-N 2.68Å; Q140-N163 PolarHBondContact N-OD1 3.37Å
141	I	97.6	Very high	93	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.208	C	C	.	.			trans	-74.1	122.9	-176	-53.5	168	0	0	0	109	I117 I120 L136 N139 L144 N163 P164 W165	I117-I141 HydrophobicContact CG2-CD1 4.49Å; I117-I141 HydrophobicContact CG2-CG1 4.22Å; I117-I141 WeakPolarHBondContact O-CG1 3.42Å; I117-I141 PolarHBondContact O-N 3.07Å; I117-I141 VanDerWaalsContact O-N 3.15Å; I120-I141 HydrophobicContact CD1-CD1 3.82Å; L136-I141 HydrophobicContact CB-CD1 4.28Å; L136-I141 HydrophobicContact CD1-CD1 4.5Å; L136-I141 HydrophobicContact CD2-CD1 4.41Å; N139-I141 HydrophobicContact CB-CD1 4.32Å; N139-I141 HydrophobicContact CB-CG1 4.17Å; I141-L144 HydrophobicContact CG2-CB 4.24Å; I141-N163 HydrophobicContact CB-CB 4.3Å; I141-N163 WeakPolarHBondContact CB-OD1 3.21Å; I141-N163 WeakPolarHBondContact CG1-OD1 3.29Å; I141-N163 PolarHBondContact N-OD1 3.23Å; I141-P164 CarbonylContact O-C 3.47Å; I141-P164 WeakPolarHBondContact O-CD 3.28Å; I141-W165 HydrophobicContact CB-CH2 4.03Å; I141-W165 HydrophobicContact CB-CZ2 4.47Å; I141-W165 HydrophobicContact CB-CZ3 4.26Å; I141-W165 HydrophobicContact CG2-CE3 4.34Å; I141-W165 HydrophobicContact CG2-CH2 3.54Å; I141-W165 HydrophobicContact CG2-CZ2 4.43Å; I141-W165 HydrophobicContact CG2-CZ3 3.49Å; I141-W165 VanDerWaalsContact CG2-CZ3 3.49Å
142	K	95.8	Very high	92.6	Very high	129 Å²	129	42.6 Å²	42.6	56%	0.561	21%	0.209	S	C	*	.			trans	-95.5	-46.1	176.4	-63.9	-176.7	-179.5	-178.4	0	111.8	Q140 P164 W165 H166	Q140-K142 PolarHBondContact O-N 2.68Å; K142-P164 WeakPolarHBondContact CA-O 3.32Å; K142-P164 HydrophobicContact CG-CG 4.16Å; K142-W165 WeakPolarHBondContact O-CA 3.48Å; K142-H166 HydrophobicContact CB-CB 4.19Å; K142-H166 PolarHBondContact O-N 3.36Å
143	V	93.8	Very high	92.2	Very high	45 Å²	45	44.2 Å²	44.2	27%	0.273	22%	0.22	S	C	.	.			trans	-133.4	140.5	-175.5	179.2	0	0	0	0	108.4	H166 E170	V143-H166 HydrophobicContact CG2-CB 4.2Å; V143-E170 HydrophobicContact CG1-CB 3.58Å
144	L	93.8	Very high	91.8	Very high	6 Å²	6	47 Å²	47	3%	0.031	23%	0.233	C	C	.	.			trans	-151.4	132.6	174.9	-168.4	65.7	0	0	0	107.9	I120 I141 V148 F149 L160 W165 L174	I120-L144 HydrophobicContact CB-CD1 3.95Å; I120-L144 HydrophobicContact CD1-CD1 3.96Å; I120-L144 HydrophobicContact CG1-CD1 4.36Å; I120-L144 HydrophobicContact CG2-CD1 4.35Å; I141-L144 HydrophobicContact CG2-CB 4.24Å; L144-V148 HydrophobicContact CD1-CB 4.4Å; L144-V148 HydrophobicContact CD1-CG1 3.98Å; L144-V148 HydrophobicContact CD1-CG2 3.6Å; L144-V148 HydrophobicContact CD2-CG2 4.19Å; L144-V148 HydrophobicContact CG-CG2 3.83Å; L144-F149 HydrophobicContact CD2-CE2 3.7Å; L144-F149 HydrophobicContact CD2-CZ 3.54Å; L144-F149 HydrophobicContact CG-CE2 4.23Å; L144-F149 HydrophobicContact CG-CZ 4.48Å; L144-L160 HydrophobicContact CD2-CD2 4.47Å; L144-W165 HydrophobicContact CB-CH2 3.94Å; L144-W165 HydrophobicContact CB-CZ3 3.63Å; L144-W165 HydrophobicContact CD2-CH2 4.09Å; L144-L174 HydrophobicContact CB-CD2 4.21Å; L144-L174 HydrophobicContact CD2-CD1 4.42Å; L144-L174 WeakPolarHBondContact O-CB 3.29Å
145	T	89.8	Confident	91.5	Very high	40 Å²	40	48 Å²	48	25%	0.245	24%	0.239	C	C	.	.			trans	-96.4	168.1	176.4	56.1	0	0	0	0	110.4	E147 V148	T145-E147 PolarHBondContact O-N 3.24Å; T145-V148 WeakPolarHBondContact O-CG2 3.18Å
146	E	86.6	Confident	91	Very high	85 Å²	85	50.3 Å²	50.3	40%	0.397	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-68.3	-21.7	175.1	74.6	-177.6	173.1	0	0	113.5	V148 F149 T173 M177	E146-V148 VanDerWaalsContact C-N 3.26Å; E146-V148 PolarHBondContact O-N 3.32Å; E146-F149 WeakPolarHBondContact O-CB 3.15Å; E146-F149 PolarHBondContact O-N 3.45Å; E146-T173 PolarHBondContact N-OG1 3.49Å; E146-M177 HydrophobicContact CB-CB 4.19Å
147	E	84.1	Confident	90.7	Very high	105 Å²	105	54.1 Å²	54.1	49%	0.491	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-54.8	-38.6	-175.3	-63.8	176.5	175.2	0	0	113.2	T145 F149 I150	T145-E147 PolarHBondContact O-N 3.24Å; E147-F149 PolarHBondContact O-N 3.31Å; E147-F149 VanDerWaalsContact O-N 3.08Å; E147-I150 HydrophobicContact CB-CD1 4.23Å; E147-I150 HydrophobicContact CG-CD1 4.5Å; E147-I150 WeakPolarHBondContact O-CB 3.4Å; E147-I150 VanDerWaalsContact O-CG1 3.3Å; E147-I150 WeakPolarHBondContact O-CG1 3.48Å; E147-I150 PolarHBondContact O-N 3.38Å; E147-I150 VanDerWaalsContact O-N 3.12Å
148	V	88.3	Confident	90.6	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.5	-22.2	179.8	-61.7	0	0	0	0	112.8	I120 F125 L144 T145 E146	I120-V148 HydrophobicContact CG2-CB 4.4Å; I120-V148 HydrophobicContact CG2-CG1 3.96Å; F125-V148 HydrophobicContact CD2-CB 4.3Å; F125-V148 WeakPolarHBondContact CD2-O 3.33Å; F125-V148 HydrophobicContact CE2-CB 4.47Å; L144-V148 HydrophobicContact CD1-CB 4.4Å; L144-V148 HydrophobicContact CD1-CG1 3.98Å; L144-V148 HydrophobicContact CD1-CG2 3.6Å; L144-V148 HydrophobicContact CD2-CG2 4.19Å; L144-V148 HydrophobicContact CG-CG2 3.83Å; T145-V148 WeakPolarHBondContact O-CG2 3.18Å; E146-V148 VanDerWaalsContact C-N 3.26Å; E146-V148 PolarHBondContact O-N 3.32Å
149	F	88.9	Confident	90.4	Very high	18 Å²	18	54.9 Å²	54.9	8%	0.079	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-94.4	-6.2	-177.4	-58.7	-68.7	0	0	0	113.5	L134 L144 E146 E147 Y151 T152 L155 L158 L174 M177	L134-F149 HydrophobicContact CD2-CD1 4.44Å; L134-F149 HydrophobicContact CD2-CE1 3.87Å; L144-F149 HydrophobicContact CD2-CE2 3.7Å; L144-F149 HydrophobicContact CD2-CZ 3.54Å; L144-F149 HydrophobicContact CG-CE2 4.23Å; L144-F149 HydrophobicContact CG-CZ 4.48Å; E146-F149 WeakPolarHBondContact O-CB 3.15Å; E146-F149 PolarHBondContact O-N 3.45Å; E147-F149 PolarHBondContact O-N 3.31Å; E147-F149 VanDerWaalsContact O-N 3.08Å; F149-Y151 PolarHBondContact O-N 3.18Å; F149-T152 WeakPolarHBondContact CA-OG1 3.3Å; F149-T152 PolarHBondContact O-N 3.02Å; F149-T152 PolarHBondContact O-OG1 2.67Å; F149-L155 HydrophobicContact CD1-CD2 3.67Å; F149-L155 HydrophobicContact CE1-CD2 4.08Å; F149-L158 HydrophobicContact CD1-CD2 4.47Å; F149-L158 HydrophobicContact CE1-CD1 3.92Å; F149-L158 HydrophobicContact CE1-CD2 3.76Å; F149-L158 HydrophobicContact CE2-CD2 4.24Å; F149-L158 HydrophobicContact CZ-CD1 4.21Å; F149-L158 HydrophobicContact CZ-CD2 3.62Å; F149-L174 HydrophobicContact CD2-CD1 4.27Å; F149-L174 HydrophobicContact CE2-CD1 3.54Å; F149-L174 HydrophobicContact CZ-CD1 4.45Å; F149-M177 HydrophobicContact CD2-CE 3.82Å; F149-M177 HydrophobicContact CE2-CE 4.06Å; F149-M177 HydrophobicContact CG-CE 4.5Å
150	I	81.3	Confident	90.3	Very high	114 Å²	114	54.8 Å²	54.8	59%	0.585	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.9	177.2	-66.7	172	0	0	0	110.6	E147 T152	E147-I150 HydrophobicContact CB-CD1 4.23Å; E147-I150 HydrophobicContact CG-CD1 4.5Å; E147-I150 WeakPolarHBondContact O-CB 3.4Å; E147-I150 VanDerWaalsContact O-CG1 3.3Å; E147-I150 WeakPolarHBondContact O-CG1 3.48Å; E147-I150 PolarHBondContact O-N 3.38Å; E147-I150 VanDerWaalsContact O-N 3.12Å; I150-T152 VanDerWaalsContact C-N 3.25Å; I150-T152 PolarHBondContact O-N 2.76Å
151	Y	84.2	Confident	90.2	Very high	71 Å²	71	52.1 Å²	52.1	28%	0.278	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-0.5	-179.5	-52.4	-68.1	0	0	0	114.7	S122 E123 F125 F126 L128 F149 P153	S122-Y151 WeakPolarHBondContact O-CE2 3.4Å; E123-Y151 HydrophobicContact CB-CE2 4.3Å; E123-Y151 HydrophobicContact CG-CE2 4.24Å; F125-Y151 WeakPolarHBondContact O-CB 3.35Å; F126-Y151 HydrophobicContact CB-CG 4.39Å; F126-Y151 AromaticContact CD2-CD1 3.62Å; F126-Y151 HydrophobicContact CD2-CD1 3.62Å; F126-Y151 AromaticContact CD2-CE1 3.55Å; F126-Y151 HydrophobicContact CD2-CE1 3.55Å; F126-Y151 HydrophobicContact CD2-CG 4.3Å; F126-Y151 HydrophobicContact CE2-CD1 4.32Å; F126-Y151 HydrophobicContact CE2-CE1 4.11Å; F126-Y151 HydrophobicContact CG-CD1 4.48Å; L128-Y151 CarbonylContact C-O 3.56Å; F149-Y151 PolarHBondContact O-N 3.18Å; Y151-P153 VanDerWaalsContact C-CD 3.42Å; Y151-P153 WeakPolarHBondContact O-CD 3.42Å
152	T	88.8	Confident	90.2	Very high	4 Å²	4	56.8 Å²	56.8	3%	0.025	28%	0.282	C	S	.	.			trans	-124.4	61.9	-178.2	56.7	0	0	0	0	112.1	F125 L128 L131 F149 I150 L154 L155	F125-T152 HydrophobicContact CB-CG2 3.98Å; L128-T152 HydrophobicContact CB-CG2 4.02Å; L131-T152 HydrophobicContact CB-CG2 4.15Å; L131-T152 HydrophobicContact CD2-CG2 3.8Å; F149-T152 WeakPolarHBondContact CA-OG1 3.3Å; F149-T152 PolarHBondContact O-N 3.02Å; F149-T152 PolarHBondContact O-OG1 2.67Å; I150-T152 VanDerWaalsContact C-N 3.25Å; I150-T152 PolarHBondContact O-N 2.76Å; T152-L154 PolarHBondContact O-N 2.9Å; T152-L155 WeakPolarHBondContact O-CB 3.43Å; T152-L155 PolarHBondContact O-N 2.83Å; T152-L155 VanDerWaalsContact O-N 3.1Å
153	P	83.8	Confident	90.3	Very high	81 Å²	81	51.1 Å²	51.1	53%	0.526	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-19.1	-170.9	28.2	-37.2	0	0	0	114.5	Y151 L155	Y151-P153 VanDerWaalsContact C-CD 3.42Å; Y151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-L155 VanDerWaalsContact C-N 3.34Å
154	L	88	Confident	90.4	Very high	90 Å²	90	50.4 Å²	50.4	47%	0.471	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	6.6	177.8	-61.4	-175.8	0	0	0	113.2	K130 L131 T132 T152 S156	K130-L154 HydrophobicContact CD-CD1 4.21Å; L131-L154 CarbonylContact O-C 3.29Å; T132-L154 WeakPolarHBondContact CA-O 3.47Å; T132-L154 HydrophobicContact CG2-CB 4.35Å; T152-L154 PolarHBondContact O-N 2.9Å; L154-S156 PolarHBondContact O-N 3.06Å; L154-S156 VanDerWaalsContact O-N 3.09Å
155	L	90.5	Very high	90.6	Very high	22 Å²	22	50.1 Å²	50.1	12%	0.115	25%	0.252	C	S	.	.			trans	-64.1	114	-177.2	-171.6	66.7	0	0	0	110.2	L131 L134 F149 T152 P153 L158	L131-L155 PolarHBondContact O-N 2.9Å; L134-L155 HydrophobicContact CB-CD1 3.63Å; F149-L155 HydrophobicContact CD1-CD2 3.67Å; F149-L155 HydrophobicContact CE1-CD2 4.08Å; T152-L155 WeakPolarHBondContact O-CB 3.43Å; T152-L155 PolarHBondContact O-N 2.83Å; T152-L155 VanDerWaalsContact O-N 3.1Å; P153-L155 VanDerWaalsContact C-N 3.34Å; L155-L158 HydrophobicContact CD2-CB 4.11Å; L155-L158 HydrophobicContact CD2-CD1 4.35Å; L155-L158 HydrophobicContact CD2-CD2 4.23Å; L155-L158 HydrophobicContact CD2-CG 4.45Å; L155-L158 HydrophobicContact CG-CB 4.46Å
156	S	87.3	Confident	90.8	Very high	67 Å²	67	51.4 Å²	51.4	47%	0.469	26%	0.255	S	S	.	.			trans	-114.9	-18.2	-177.2	66.5	0	0	0	0	112.3	T132 L154 N185	T132-S156 PolarHBondContact O-N 3.13Å; T132-S156 PolarHBondContact O-OG 2.88Å; L154-S156 PolarHBondContact O-N 3.06Å; L154-S156 VanDerWaalsContact O-N 3.09Å; S156-N185 WeakPolarHBondContact O-CB 3.33Å
157	Y	91	Very high	91.2	Very high	81 Å²	81	47.4 Å²	47.4	32%	0.318	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	107.5	-176.8	-161.4	-98.4	0	0	0	110.6	T132 T133 L134 L135 R159 N185	T132-Y157 PolarHBondContact O-N 2.98Å; T133-Y157 WeakPolarHBondContact CA-O 3.42Å; T133-Y157 HydrophobicContact CG2-CD1 4.03Å; L134-Y157 PolarHBondContact N-O 3Å; L135-Y157 HydrophobicContact CD2-CD1 3.94Å; L135-Y157 HydrophobicContact CD2-CE1 3.93Å; Y157-R159 HydrophobicContact CD1-CG 4.44Å; Y157-R159 HydrophobicContact CE1-CG 3.77Å; Y157-R159 VanDerWaalsContact CE1-NE 3.29Å; Y157-R159 VanDerWaalsContact OH-CZ 3.25Å; Y157-R159 PolarHBondContact OH-NE 3.22Å; Y157-R159 PolarHBondContact OH-NH2 2.79Å; Y157-N185 HydrophobicContact CD2-CB 4.42Å
158	L	95	Very high	91.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.2	-179.4	176.5	61.3	0	0	0	109.9	L134 L136 F149 L155 L160 M177 L186 G187	L134-L158 HydrophobicContact CB-CD1 4.05Å; L134-L158 HydrophobicContact CD2-CD1 4.05Å; L134-L158 HydrophobicContact CG-CD1 3.99Å; L134-L158 WeakPolarHBondContact O-CA 3.44Å; L136-L158 HydrophobicContact CD1-CD1 4.36Å; F149-L158 HydrophobicContact CD1-CD2 4.47Å; F149-L158 HydrophobicContact CE1-CD1 3.92Å; F149-L158 HydrophobicContact CE1-CD2 3.76Å; F149-L158 HydrophobicContact CE2-CD2 4.24Å; F149-L158 HydrophobicContact CZ-CD1 4.21Å; F149-L158 HydrophobicContact CZ-CD2 3.62Å; L155-L158 HydrophobicContact CD2-CB 4.11Å; L155-L158 HydrophobicContact CD2-CD1 4.35Å; L155-L158 HydrophobicContact CD2-CD2 4.23Å; L155-L158 HydrophobicContact CD2-CG 4.45Å; L155-L158 HydrophobicContact CG-CB 4.46Å; L158-L160 HydrophobicContact CD1-CD2 3.94Å; L158-L160 HydrophobicContact CD1-CG 4.25Å; L158-L160 HydrophobicContact CD2-CD1 3.92Å; L158-L160 HydrophobicContact CD2-CD2 4.35Å; L158-L160 HydrophobicContact CD2-CG 4.14Å; L158-L160 HydrophobicContact CG-CD1 4.23Å; L158-L160 HydrophobicContact CG-CD2 4.14Å; L158-L160 HydrophobicContact CG-CG 3.9Å; L158-M177 HydrophobicContact CD2-CE 4.38Å; L158-L186 HydrophobicContact CB-CB 4.09Å; L158-L186 HydrophobicContact CB-CD2 3.61Å; L158-L186 HydrophobicContact CB-CG 4.32Å; L158-G187 PolarHBondContact O-N 2.76Å
159	R	94.9	Very high	91.4	Very high	80 Å²	80	45 Å²	45	30%	0.302	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.5	175.4	-72.5	-171.2	-178.9	172.3	6.1	111	L134 L135 L136 Q137 Y157 Y161	L134-R159 PolarHBondContact O-N 2.86Å; L134-R159 VanDerWaalsContact O-N 3.14Å; L135-R159 HydrophobicContact CD2-CB 4.29Å; L135-R159 HydrophobicContact CD2-CG 4.09Å; L136-R159 CarbonylContact C-O 3.48Å; L136-R159 WeakPolarHBondContact CA-O 3.3Å; L136-R159 PolarHBondContact N-O 2.74Å; Q137-R159 HydrophobicContact CB-CB 4.4Å; Q137-R159 PolarHBondContact N-O 2.93Å; Y157-R159 HydrophobicContact CD1-CG 4.44Å; Y157-R159 HydrophobicContact CE1-CG 3.77Å; Y157-R159 VanDerWaalsContact CE1-NE 3.29Å; Y157-R159 VanDerWaalsContact OH-CZ 3.25Å; Y157-R159 PolarHBondContact OH-NE 3.22Å; Y157-R159 PolarHBondContact OH-NH2 2.79Å; R159-Y161 HydrophobicContact CB-CD1 4.49Å; R159-Y161 HydrophobicContact CB-CE1 4.29Å; R159-Y161 HydrophobicContact CG-CE1 4.27Å
160	L	95.9	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	S	.	.			trans	-126.5	-4.2	-174.7	-67.3	178.1	0	0	0	113.8	L136 L144 L158 N163 W165 L174 L178 A190	L136-L160 HydrophobicContact CB-CD2 4.15Å; L136-L160 HydrophobicContact CD1-CD2 4.15Å; L144-L160 HydrophobicContact CD2-CD2 4.47Å; L158-L160 HydrophobicContact CD1-CD2 3.94Å; L158-L160 HydrophobicContact CD1-CG 4.25Å; L158-L160 HydrophobicContact CD2-CD1 3.92Å; L158-L160 HydrophobicContact CD2-CD2 4.35Å; L158-L160 HydrophobicContact CD2-CG 4.14Å; L158-L160 HydrophobicContact CG-CD1 4.23Å; L158-L160 HydrophobicContact CG-CD2 4.14Å; L158-L160 HydrophobicContact CG-CG 3.9Å; L160-N163 PolarHBondContact O-ND2 2.9Å; L160-N163 VanDerWaalsContact O-ND2 3.15Å; L160-W165 HydrophobicContact CB-CZ2 3.71Å; L160-W165 HydrophobicContact CD1-CZ2 4.27Å; L160-W165 HydrophobicContact CD2-CH2 4.1Å; L160-W165 HydrophobicContact CD2-CZ2 3.82Å; L160-W165 HydrophobicContact CG-CZ2 4.12Å; L160-W165 PolarHBondContact O-NE1 3.42Å; L160-L174 HydrophobicContact CD1-CD2 4.37Å; L160-L178 HydrophobicContact CD1-CD1 4.21Å; L160-L178 HydrophobicContact CD1-CD2 4.41Å; L160-A190 HydrophobicContact CB-CB 3.91Å
161	Y	95.4	Very high	91.7	Very high	52 Å²	52	43.8 Å²	43.8	20%	0.204	22%	0.222	C	C	.	.			trans	-64.9	162.4	-175.9	67.7	-96.6	0	0	0	112.3	Q137 H138 R159 N163	Q137-Y161 WeakPolarHBondContact CA-O 3.2Å; Q137-Y161 HydrophobicContact CB-CD1 4.06Å; Q137-Y161 HydrophobicContact CB-CD2 4Å; Q137-Y161 HydrophobicContact CB-CE1 3.9Å; Q137-Y161 HydrophobicContact CB-CE2 3.81Å; Q137-Y161 HydrophobicContact CB-CG 4.11Å; Q137-Y161 WeakPolarHBondContact CB-O 2.96Å; Q137-Y161 HydrophobicContact CG-CE1 4.07Å; Q137-Y161 HydrophobicContact CG-CE2 3.98Å; H138-Y161 PolarHBondContact N-O 3.11Å; H138-Y161 AromaticContact NE2-CE2 3.62Å; R159-Y161 HydrophobicContact CB-CD1 4.49Å; R159-Y161 HydrophobicContact CB-CE1 4.29Å; R159-Y161 HydrophobicContact CG-CE1 4.27Å; Y161-N163 VanDerWaalsContact C-N 3.32Å; Y161-N163 PolarHBondContact O-N 3.2Å
162	D	96.6	Very high	91.9	Very high	99 Å²	99	42 Å²	42	53%	0.529	22%	0.216	S	C	.	.	S	Bend	trans	53.6	47.8	-175.9	-62.4	-11.9	0	0	0	113.1	H138 N139	H138-D162 WeakPolarHBondContact CA-O 3.4Å; H138-D162 IonicContact CE1-OD2 3.59Å; H138-D162 PolarHBondContact CE1-OD2 3.35Å; H138-D162 PolarHBondContact N-O 3.18Å; H138-D162 WeakPolarHBondContact ND1-CB 3.21Å; H138-D162 IonicContact ND1-OD2 2.86Å; H138-D162 PolarHBondContact ND1-OD2 3.18Å; H138-D162 VanDerWaalsContact ND1-OD2 3.16Å; H138-D162 IonicContact NE2-OD2 2.72Å; N139-D162 PolarHBondContact N-O 3.15Å
163	N	97.9	Very high	91.9	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-122.3	147.5	163.3	-82.7	-82.9	0	0	0	108.1	L136 N139 Q140 I141 L160 Y161 W165	L136-N163 PolarHBondContact O-ND2 3.33Å; N139-N163 VanDerWaalsContact CA-OD1 3.22Å; N139-N163 WeakPolarHBondContact CA-OD1 3.3Å; N139-N163 WeakPolarHBondContact CB-OD1 3.28Å; N139-N163 PolarHBondContact N-OD1 3Å; N139-N163 PolarHBondContact O-OD1 3.4Å; Q140-N163 PolarHBondContact N-OD1 3.37Å; I141-N163 HydrophobicContact CB-CB 4.3Å; I141-N163 WeakPolarHBondContact CB-OD1 3.21Å; I141-N163 WeakPolarHBondContact CG1-OD1 3.29Å; I141-N163 PolarHBondContact N-OD1 3.23Å; L160-N163 PolarHBondContact O-ND2 2.9Å; L160-N163 VanDerWaalsContact O-ND2 3.15Å; Y161-N163 VanDerWaalsContact C-N 3.32Å; Y161-N163 PolarHBondContact O-N 3.2Å; N163-W165 HydrophobicContact CB-CD2 4.24Å; N163-W165 HydrophobicContact CB-CG 4.39Å; N163-W165 HydrophobicContact CB-CZ2 3.91Å; N163-W165 VanDerWaalsContact O-CD1 3.24Å; N163-W165 PolarHBondContact O-N 2.55Å
164	P	96.9	Very high	92.2	Very high	30 Å²	30	40.4 Å²	40.4	20%	0.195	21%	0.205	C	C	.	.			trans	-76.2	61	-179.6	34.2	-38.1	0	0	0	111.8	N139 I141 K142 H166 E193	N139-P164 WeakPolarHBondContact O-CD 3.24Å; I141-P164 CarbonylContact O-C 3.47Å; I141-P164 WeakPolarHBondContact O-CD 3.28Å; K142-P164 WeakPolarHBondContact CA-O 3.32Å; K142-P164 HydrophobicContact CG-CG 4.16Å; P164-H166 PolarHBondContact O-N 2.88Å; P164-E193 HydrophobicContact CB-CB 4.44Å
165	W	96.8	Very high	92.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	121	-175.3	-66.4	108.5	0	0	0	111.7	I141 K142 L144 L160 N163 I171 L174 K191 E193 S194 L203	I141-W165 HydrophobicContact CB-CH2 4.03Å; I141-W165 HydrophobicContact CB-CZ2 4.47Å; I141-W165 HydrophobicContact CB-CZ3 4.26Å; I141-W165 HydrophobicContact CG2-CE3 4.34Å; I141-W165 HydrophobicContact CG2-CH2 3.54Å; I141-W165 HydrophobicContact CG2-CZ2 4.43Å; I141-W165 HydrophobicContact CG2-CZ3 3.49Å; I141-W165 VanDerWaalsContact CG2-CZ3 3.49Å; K142-W165 WeakPolarHBondContact O-CA 3.48Å; L144-W165 HydrophobicContact CB-CH2 3.94Å; L144-W165 HydrophobicContact CB-CZ3 3.63Å; L144-W165 HydrophobicContact CD2-CH2 4.09Å; L160-W165 HydrophobicContact CB-CZ2 3.71Å; L160-W165 HydrophobicContact CD1-CZ2 4.27Å; L160-W165 HydrophobicContact CD2-CH2 4.1Å; L160-W165 HydrophobicContact CD2-CZ2 3.82Å; L160-W165 HydrophobicContact CG-CZ2 4.12Å; L160-W165 PolarHBondContact O-NE1 3.42Å; N163-W165 HydrophobicContact CB-CD2 4.24Å; N163-W165 HydrophobicContact CB-CG 4.39Å; N163-W165 HydrophobicContact CB-CZ2 3.91Å; N163-W165 VanDerWaalsContact O-CD1 3.24Å; N163-W165 PolarHBondContact O-N 2.55Å; W165-I171 HydrophobicContact CD2-CD1 4.2Å; W165-I171 HydrophobicContact CE3-CD1 3.34Å; W165-I171 HydrophobicContact CZ3-CD1 3.8Å; W165-L174 HydrophobicContact CH2-CD2 4.36Å; W165-L174 HydrophobicContact CZ3-CD2 4.12Å; W165-K191 VanDerWaalsContact CD1-O 3.32Å; W165-E193 PolarHBondContact O-N 2.79Å; W165-S194 PolarHBondContact O-N 3.34Å; W165-L203 HydrophobicContact CB-CD1 4.49Å; W165-L203 HydrophobicContact CD2-CD1 4.36Å; W165-L203 HydrophobicContact CG-CD1 3.93Å
166	H	95.1	Very high	92.2	Very high	67 Å²	67	37.1 Å²	37.1	31%	0.31	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	96.6	173	-165.4	136.5	0	0	0	108	K142 V143 P164 T168 S194	K142-H166 HydrophobicContact CB-CB 4.19Å; K142-H166 PolarHBondContact O-N 3.36Å; V143-H166 HydrophobicContact CG2-CB 4.2Å; P164-H166 PolarHBondContact O-N 2.88Å; H166-T168 WeakPolarHBondContact CD2-CG2 3.32Å; H166-T168 VanDerWaalsContact NE2-CG2 3.27Å; H166-T168 WeakPolarHBondContact NE2-CG2 3.3Å; H166-T168 PolarHBondContact O-N 3.39Å; H166-T168 VanDerWaalsContact O-N 3.1Å; H166-S194 CarbonylContact C-O 3.59Å; H166-S194 WeakPolarHBondContact CA-O 3.4Å; H166-S194 WeakPolarHBondContact CA-OG 3.25Å; H166-S194 VanDerWaalsContact CG-OG 3.26Å; H166-S194 PolarHBondContact ND1-OG 3.16Å
167	C	93.6	Very high	92.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	17%	0.174	C	C	.	.			trans	-86.8	75.7	-174.2	-64.3	0	0	0	0	112.1	I171 C192 S194 P195 Q198 I206 L211	C167-I171 HydrophobicContact CB-CG2 4.36Å; C167-C192 HydrophobicContact CB-CB 3.7Å; C167-C192 WeakPolarHBondContact CB-SG 3.17Å; C167-C192 WeakPolarHBondContact SG-CB 3.41Å; C167-C192 CovalentContact SG-SG 2.01Å; C167-C192 PolarHBondContact SG-SG 2.82Å; C167-S194 PolarHBondContact N-O 2.8Å; C167-P195 VanDerWaalsContact O-CD 3.24Å; C167-P195 WeakPolarHBondContact O-CD 3.42Å; C167-Q198 HydrophobicContact CB-CB 4.25Å; C167-I206 HydrophobicContact CB-CD1 4.48Å; C167-L211 HydrophobicContact CB-CD2 3.97Å; C167-L211 WeakPolarHBondContact O-CD2 3.44Å
168	T	89.8	Confident	92	Very high	41 Å²	41	31 Å²	31	25%	0.252	16%	0.159	S	C	.	.	S	Bend	trans	-109.9	-169.7	169.2	47.3	0	0	0	0	110.1	H166 E170 I171	H166-T168 WeakPolarHBondContact CD2-CG2 3.32Å; H166-T168 VanDerWaalsContact NE2-CG2 3.27Å; H166-T168 WeakPolarHBondContact NE2-CG2 3.3Å; H166-T168 PolarHBondContact O-N 3.39Å; H166-T168 VanDerWaalsContact O-N 3.1Å; T168-E170 PolarHBondContact O-N 2.96Å; T168-I171 VanDerWaalsContact O-CG2 3.27Å; T168-I171 WeakPolarHBondContact O-CG2 3.36Å; T168-I171 PolarHBondContact O-N 3.36Å
169	C	86.8	Confident	91.6	Very high	17 Å²	17	34.5 Å²	34.5	12%	0.115	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-57.5	-29.5	178.1	-163.1	0	0	0	0	114.3	I171 E172 L211 C212 L220	C169-I171 PolarHBondContact O-N 2.83Å; C169-I171 VanDerWaalsContact O-N 3.08Å; C169-E172 VanDerWaalsContact O-CB 3.27Å; C169-E172 WeakPolarHBondContact O-CB 3.22Å; C169-E172 PolarHBondContact O-N 2.94Å; C169-L211 PolarHBondContact N-O 3.11Å; C169-C212 WeakPolarHBondContact CA-SG 3.06Å; C169-C212 HydrophobicContact CB-CB 3.86Å; C169-C212 WeakPolarHBondContact CB-SG 3.32Å; C169-C212 WeakPolarHBondContact SG-CB 3.35Å; C169-C212 CovalentContact SG-SG 2.03Å; C169-C212 PolarHBondContact SG-SG 3.27Å; C169-L220 HydrophobicContact CB-CD1 3.76Å; C169-L220 WeakPolarHBondContact SG-CD1 3.29Å
170	E	86.9	Confident	91	Very high	106 Å²	106	34.6 Å²	34.6	50%	0.495	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-61.7	-21.3	-179.1	-59.7	178.2	-161.5	0	0	114.3	V143 T168 L220	V143-E170 HydrophobicContact CG1-CB 3.58Å; T168-E170 PolarHBondContact O-N 2.96Å; E170-L220 HydrophobicContact CG-CD2 4.35Å
171	I	91.2	Very high	89.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-103.6	6	179.8	-160.9	158.8	0	0	0	112.9	W165 C167 T168 C169 T173 L174 I175 L203	W165-I171 HydrophobicContact CD2-CD1 4.2Å; W165-I171 HydrophobicContact CE3-CD1 3.34Å; W165-I171 HydrophobicContact CZ3-CD1 3.8Å; C167-I171 HydrophobicContact CB-CG2 4.36Å; T168-I171 VanDerWaalsContact O-CG2 3.27Å; T168-I171 WeakPolarHBondContact O-CG2 3.36Å; T168-I171 PolarHBondContact O-N 3.36Å; C169-I171 PolarHBondContact O-N 2.83Å; C169-I171 VanDerWaalsContact O-N 3.08Å; I171-T173 VanDerWaalsContact C-N 3.28Å; I171-T173 PolarHBondContact O-N 3.3Å; I171-L174 HydrophobicContact CD1-CD2 3.61Å; I171-L174 HydrophobicContact CG1-CB 3.77Å; I171-L174 HydrophobicContact CG1-CD2 3.54Å; I171-L174 HydrophobicContact CG1-CG 4.24Å; I171-L174 PolarHBondContact O-N 2.92Å; I171-I175 HydrophobicContact CG2-CD1 3.82Å; I171-I175 HydrophobicContact CG2-CG1 4.49Å; I171-I175 PolarHBondContact O-N 2.99Å; I171-L203 HydrophobicContact CD1-CD2 3.74Å; I171-L203 HydrophobicContact CG1-CD2 4.26Å
172	E	88.3	Confident	88.8	Confident	33 Å²	33	44.8 Å²	44.8	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-45.4	-177.9	-177.8	-173.7	-171	0	0	111.5	C169 I175 S176 C212 K217	C169-E172 VanDerWaalsContact O-CB 3.27Å; C169-E172 WeakPolarHBondContact O-CB 3.22Å; C169-E172 PolarHBondContact O-N 2.94Å; E172-I175 PolarHBondContact O-N 3.33Å; E172-S176 WeakPolarHBondContact O-CB 3.3Å; E172-S176 PolarHBondContact O-N 2.87Å; E172-S176 PolarHBondContact O-OG 2.85Å; E172-C212 PolarHBondContact OE2-SG 3.43Å; E172-K217 WeakPolarHBondContact OE1-CE 3.43Å; E172-K217 IonicContact OE1-NZ 2.76Å; E172-K217 PolarHBondContact OE1-NZ 3.12Å; E172-K217 VanDerWaalsContact OE2-CE 3.27Å; E172-K217 WeakPolarHBondContact OE2-CE 3.35Å; E172-K217 IonicContact OE2-NZ 2.8Å
173	T	87.3	Confident	87.9	Confident	52 Å²	52	41.5 Å²	41.5	32%	0.319	21%	0.214	S	C	.	.	H	α-helix	trans	-64.7	-42.7	-178.3	58.3	0	0	0	0	111.7	E146 I171 I175 S176 M177	E146-T173 PolarHBondContact N-OG1 3.49Å; I171-T173 VanDerWaalsContact C-N 3.28Å; I171-T173 PolarHBondContact O-N 3.3Å; T173-I175 PolarHBondContact O-N 2.85Å; T173-S176 PolarHBondContact O-N 2.87Å; T173-M177 WeakPolarHBondContact O-CB 3.08Å; T173-M177 PolarHBondContact O-N 2.8Å
174	L	91.1	Very high	86.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.3	-45.8	174.3	-177.9	78.7	0	0	0	111.7	L144 F149 L160 W165 I171 S176 M177 L178 L203	L144-L174 HydrophobicContact CB-CD2 4.21Å; L144-L174 HydrophobicContact CD2-CD1 4.42Å; L144-L174 WeakPolarHBondContact O-CB 3.29Å; F149-L174 HydrophobicContact CD2-CD1 4.27Å; F149-L174 HydrophobicContact CE2-CD1 3.54Å; F149-L174 HydrophobicContact CZ-CD1 4.45Å; L160-L174 HydrophobicContact CD1-CD2 4.37Å; W165-L174 HydrophobicContact CH2-CD2 4.36Å; W165-L174 HydrophobicContact CZ3-CD2 4.12Å; I171-L174 HydrophobicContact CD1-CD2 3.61Å; I171-L174 HydrophobicContact CG1-CB 3.77Å; I171-L174 HydrophobicContact CG1-CD2 3.54Å; I171-L174 HydrophobicContact CG1-CG 4.24Å; I171-L174 PolarHBondContact O-N 2.92Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 3.3Å; L174-M177 HydrophobicContact CD1-CE 3.8Å; L174-M177 PolarHBondContact O-N 3.34Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 HydrophobicContact CG-CG 4.46Å; L174-L178 VanDerWaalsContact O-CG 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.26Å; L174-L178 PolarHBondContact O-N 2.82Å; L174-L203 HydrophobicContact CD2-CD2 4.42Å
175	I	90.6	Very high	85.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-43.9	-179.9	-74.9	172.1	0	0	0	110.5	I171 E172 T173 M177 L178 Q179 L203 I206 L211	I171-I175 HydrophobicContact CG2-CD1 3.82Å; I171-I175 HydrophobicContact CG2-CG1 4.49Å; I171-I175 PolarHBondContact O-N 2.99Å; E172-I175 PolarHBondContact O-N 3.33Å; T173-I175 PolarHBondContact O-N 2.85Å; I175-M177 PolarHBondContact O-N 3.01Å; I175-L178 PolarHBondContact O-N 2.86Å; I175-Q179 WeakPolarHBondContact O-CG 3.46Å; I175-Q179 PolarHBondContact O-N 3.26Å; I175-Q179 VanDerWaalsContact O-N 3.09Å; I175-L203 HydrophobicContact CD1-CD2 4.02Å; I175-L203 HydrophobicContact CG1-CB 4.2Å; I175-L203 HydrophobicContact CG1-CD2 3.76Å; I175-L203 HydrophobicContact CG1-CG 4.48Å; I175-L203 WeakPolarHBondContact CG2-O 2.95Å; I175-I206 HydrophobicContact CD1-CB 4.38Å; I175-I206 HydrophobicContact CD1-CD1 4.38Å; I175-I206 WeakPolarHBondContact CG2-O 3.3Å; I175-L211 HydrophobicContact CB-CD1 4.38Å; I175-L211 HydrophobicContact CD1-CD1 3.42Å; I175-L211 VanDerWaalsContact CD1-CD1 3.42Å; I175-L211 HydrophobicContact CD1-CD2 4.09Å; I175-L211 HydrophobicContact CD1-CG 4.37Å; I175-L211 HydrophobicContact CG1-CD1 4.45Å; I175-L211 HydrophobicContact CG2-CD1 4.39Å
176	S	86.8	Confident	85.3	Confident	43 Å²	43	52.6 Å²	52.6	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-58.8	-46.2	176.2	-58.7	0	0	0	0	111.1	E172 T173 L174 L178 Q179 I180	E172-S176 WeakPolarHBondContact O-CB 3.3Å; E172-S176 PolarHBondContact O-N 2.87Å; E172-S176 PolarHBondContact O-OG 2.85Å; T173-S176 PolarHBondContact O-N 2.87Å; L174-S176 VanDerWaalsContact C-N 3.32Å; L174-S176 PolarHBondContact O-N 3.3Å; S176-L178 PolarHBondContact O-N 3.03Å; S176-Q179 PolarHBondContact O-N 3.28Å; S176-Q179 VanDerWaalsContact O-N 3.17Å; S176-I180 PolarHBondContact O-N 3.16Å
177	M	87.9	Confident	84.7	Confident	20 Å²	20	49.5 Å²	49.5	10%	0.099	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-43.1	174.6	-177.8	-82.1	-74	0	0	112.4	E146 F149 L158 T173 L174 I175 Q179 I180 N183 L186	E146-M177 HydrophobicContact CB-CB 4.19Å; F149-M177 HydrophobicContact CD2-CE 3.82Å; F149-M177 HydrophobicContact CE2-CE 4.06Å; F149-M177 HydrophobicContact CG-CE 4.5Å; L158-M177 HydrophobicContact CD2-CE 4.38Å; T173-M177 WeakPolarHBondContact O-CB 3.08Å; T173-M177 PolarHBondContact O-N 2.8Å; L174-M177 HydrophobicContact CD1-CE 3.8Å; L174-M177 PolarHBondContact O-N 3.34Å; I175-M177 PolarHBondContact O-N 3.01Å; M177-Q179 VanDerWaalsContact C-N 3.25Å; M177-Q179 PolarHBondContact O-N 3.22Å; M177-I180 PolarHBondContact O-N 3.06Å; M177-N183 PolarHBondContact O-ND2 3Å; M177-N183 PolarHBondContact SD-ND2 3.2Å; M177-N183 VanDerWaalsContact SD-ND2 3.41Å; M177-L186 HydrophobicContact SD-CD1 3.72Å
178	L	87.9	Confident	84.4	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.2	-18.6	179.6	-65.6	176.9	0	0	0	113.8	L160 L174 I175 S176 L186 L203 R204	L160-L178 HydrophobicContact CD1-CD1 4.21Å; L160-L178 HydrophobicContact CD1-CD2 4.41Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 HydrophobicContact CG-CG 4.46Å; L174-L178 VanDerWaalsContact O-CG 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.26Å; L174-L178 PolarHBondContact O-N 2.82Å; I175-L178 PolarHBondContact O-N 2.86Å; S176-L178 PolarHBondContact O-N 3.03Å; L178-L186 HydrophobicContact CD2-CB 3.61Å; L178-L203 HydrophobicContact CD1-CB 4.14Å; L178-R204 HydrophobicContact CB-CG 3.9Å; L178-R204 PolarHBondContact O-NE 3.23Å
179	Q	85.9	Confident	84.5	Confident	74 Å²	74	58.3 Å²	58.3	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-86	-17.4	178.5	-73.9	177.6	7.3	0	0	113.6	I175 S176 M177 R204 I206	I175-Q179 WeakPolarHBondContact O-CG 3.46Å; I175-Q179 PolarHBondContact O-N 3.26Å; I175-Q179 VanDerWaalsContact O-N 3.09Å; S176-Q179 PolarHBondContact O-N 3.28Å; S176-Q179 VanDerWaalsContact O-N 3.17Å; M177-Q179 VanDerWaalsContact C-N 3.25Å; M177-Q179 PolarHBondContact O-N 3.22Å; Q179-R204 WeakPolarHBondContact CG-O 3.45Å; Q179-R204 PolarHBondContact NE2-O 3.36Å; Q179-I206 PolarHBondContact NE2-O 3.22Å
180	I	82.3	Confident	84.9	Confident	81 Å²	81	57.6 Å²	57.6	42%	0.415	27%	0.273	S	S	.	.	S	Bend	trans	-54.3	128.1	178.1	-61.7	172.8	0	0	0	109.8	S176 M177 R182 N183	S176-I180 PolarHBondContact O-N 3.16Å; M177-I180 PolarHBondContact O-N 3.06Å; I180-R182 HydrophobicContact CG2-CB 4.2Å; I180-R182 PolarHBondContact O-N 3.34Å; I180-N183 HydrophobicContact CB-CB 4.41Å; I180-N183 WeakPolarHBondContact O-CB 3.37Å; I180-N183 PolarHBondContact O-N 3.36Å
181	P	73.5	Confident	85.3	Confident	97 Å²	97	57.2 Å²	57.2	63%	0.63	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.5	-174.8	-28.6	35.1	0	0	0	115.9	R184	P181-R184 WeakPolarHBondContact O-CG 3.24Å; P181-R184 PolarHBondContact O-NE 3.31Å
182	R	71.2	Confident	85.5	Confident	169 Å²	169	57.3 Å²	57.3	64%	0.638	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-27	174.4	-168	177.4	-178.8	-173	0	112.3	I180 R184	I180-R182 HydrophobicContact CG2-CB 4.2Å; I180-R182 PolarHBondContact O-N 3.34Å; R182-R184 PolarHBondContact O-N 3.08Å; R182-R184 VanDerWaalsContact O-N 3.12Å
183	N	79.1	Confident	85.9	Confident	30 Å²	30	59.9 Å²	59.9	16%	0.16	28%	0.283	C	S	.	.			trans	-88	33.9	-175.9	-68.6	-10	0	0	0	112.6	M177 I180 N185 L186	M177-N183 PolarHBondContact O-ND2 3Å; M177-N183 PolarHBondContact SD-ND2 3.2Å; M177-N183 VanDerWaalsContact SD-ND2 3.41Å; I180-N183 HydrophobicContact CB-CB 4.41Å; I180-N183 WeakPolarHBondContact O-CB 3.37Å; I180-N183 PolarHBondContact O-N 3.36Å; N183-N185 PolarHBondContact O-N 3.37Å; N183-L186 HydrophobicContact CB-CB 4.21Å; N183-L186 HydrophobicContact CB-CD1 3.67Å; N183-L186 HydrophobicContact CB-CG 3.81Å; N183-L186 VanDerWaalsContact CG-CD1 3.43Å; N183-L186 PolarHBondContact O-N 3.37Å
184	R	73.5	Confident	86.1	Confident	174 Å²	174	59 Å²	59	66%	0.657	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.3	-174.2	-55.4	-169.4	178.1	-176.4	-4.7	113.7	P181 R182 N188 R204	P181-R184 WeakPolarHBondContact O-CG 3.24Å; P181-R184 PolarHBondContact O-NE 3.31Å; R182-R184 PolarHBondContact O-N 3.08Å; R182-R184 VanDerWaalsContact O-N 3.12Å; R184-N188 PolarHBondContact O-ND2 2.78Å; R184-N188 PolarHBondContact O-OD1 2.79Å; R184-R204 PolarHBondContact O-NH1 3.28Å
185	N	75.3	Confident	86.2	Confident	93 Å²	93	60.8 Å²	60.8	50%	0.497	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-2.5	-176.5	-63.7	-27	0	0	0	113.6	S156 Y157 N183	S156-N185 WeakPolarHBondContact O-CB 3.33Å; Y157-N185 HydrophobicContact CD2-CB 4.42Å; N183-N185 PolarHBondContact O-N 3.37Å
186	L	87.3	Confident	86.1	Confident	6 Å²	6	67.4 Å²	67.4	3%	0.031	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-90.8	138.6	-179.2	-50	-169.5	0	0	0	110.6	L158 M177 L178 N183 N188	L158-L186 HydrophobicContact CB-CB 4.09Å; L158-L186 HydrophobicContact CB-CD2 3.61Å; L158-L186 HydrophobicContact CB-CG 4.32Å; M177-L186 HydrophobicContact SD-CD1 3.72Å; L178-L186 HydrophobicContact CD2-CB 3.61Å; N183-L186 HydrophobicContact CB-CB 4.21Å; N183-L186 HydrophobicContact CB-CD1 3.67Å; N183-L186 HydrophobicContact CB-CG 3.81Å; N183-L186 VanDerWaalsContact CG-CD1 3.43Å; N183-L186 PolarHBondContact O-N 3.37Å; L186-N188 PolarHBondContact O-N 3.03Å; L186-N188 VanDerWaalsContact O-N 3.13Å
187	G	82.4	Confident	86.2	Confident	2 Å²	2	71.9 Å²	71.9	2%	0.021	34%	0.338	C	S	.	.	S	Bend	trans	64.6	20	170.3	0	0	0	0	0	115	L158 Y189 A190	L158-G187 PolarHBondContact O-N 2.76Å; G187-Y189 PolarHBondContact O-N 3.01Å; G187-A190 WeakPolarHBondContact O-CB 3.22Å; G187-A190 PolarHBondContact O-N 3.42Å
188	N	87.2	Confident	86.2	Confident	53 Å²	53	71.7 Å²	71.7	28%	0.283	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	137.9	179.3	-75.6	-30.6	0	0	0	111.2	R184 L186 A190 R204	R184-N188 PolarHBondContact O-ND2 2.78Å; R184-N188 PolarHBondContact O-OD1 2.79Å; L186-N188 PolarHBondContact O-N 3.03Å; L186-N188 VanDerWaalsContact O-N 3.13Å; N188-A190 PolarHBondContact O-N 2.77Å; N188-A190 VanDerWaalsContact O-N 3.14Å; N188-R204 PolarHBondContact OD1-NH1 3.41Å
189	Y	91.1	Very high	86.5	Confident	175 Å²	175	75 Å²	75	69%	0.686	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.5	-1.1	-178.5	-47.8	-75.6	0	0	0	116.5	G187	G187-Y189 PolarHBondContact O-N 3.01Å
190	A	95.1	Very high	86.8	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.008	36%	0.361	C	S	.	.			trans	-68.1	137.4	175.3	0	0	0	0	0	110.3	L160 G187 N188 K202 L203	L160-A190 HydrophobicContact CB-CB 3.91Å; G187-A190 WeakPolarHBondContact O-CB 3.22Å; G187-A190 PolarHBondContact O-N 3.42Å; N188-A190 PolarHBondContact O-N 2.77Å; N188-A190 VanDerWaalsContact O-N 3.14Å; A190-K202 VanDerWaalsContact O-CA 3.29Å; A190-K202 WeakPolarHBondContact O-CA 3.22Å; A190-L203 VanDerWaalsContact C-CD1 3.48Å; A190-L203 HydrophobicContact CB-CD1 3.24Å; A190-L203 PolarHBondContact O-N 2.95Å
191	K	95.9	Very high	87.3	Confident	98 Å²	98	76.5 Å²	76.5	43%	0.426	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-135.2	153	-176.7	-63.5	173	-175	175.9	0	110.8	W165 K201 K202	W165-K191 VanDerWaalsContact CD1-O 3.32Å; K191-K201 CarbonylContact C-O 3.6Å; K191-K201 WeakPolarHBondContact CA-O 3.42Å; K191-K202 HydrophobicContact CG-CG 4.29Å
192	C	95.9	Very high	88.3	Confident	2 Å²	2	76.1 Å²	76.1	1%	0.014	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.6	173.1	-54.8	0	0	0	0	111.7	C167 Q198 N200 K201 I206	C167-C192 HydrophobicContact CB-CB 3.7Å; C167-C192 WeakPolarHBondContact CB-SG 3.17Å; C167-C192 WeakPolarHBondContact SG-CB 3.41Å; C167-C192 CovalentContact SG-SG 2.01Å; C167-C192 PolarHBondContact SG-SG 2.82Å; C192-Q198 HydrophobicContact CB-CB 4.27Å; C192-Q198 VanDerWaalsContact CB-O 3.3Å; C192-Q198 WeakPolarHBondContact CB-O 3.14Å; C192-N200 PolarHBondContact O-N 2.8Å; C192-K201 PolarHBondContact N-O 3.27Å; C192-I206 WeakPolarHBondContact SG-CD1 3.46Å
193	E	96.6	Very high	89.3	Confident	88 Å²	88	68 Å²	68	41%	0.411	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-34.8	170.7	-175.6	58.8	-143.6	0	0	111.2	P164 W165 K199	P164-E193 HydrophobicContact CB-CB 4.44Å; W165-E193 PolarHBondContact O-N 2.79Å; E193-K199 VanDerWaalsContact OE1-CE 3.31Å; E193-K199 WeakPolarHBondContact OE1-CE 3.41Å; E193-K199 IonicContact OE1-NZ 3.8Å; E193-K199 PolarHBondContact OE1-NZ 2.96Å
194	S	92.3	Very high	89.7	Confident	33 Å²	33	70.3 Å²	70.3	23%	0.231	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	160.7	176	62.1	0	0	0	0	110.9	W165 H166 C167	W165-S194 PolarHBondContact O-N 3.34Å; H166-S194 CarbonylContact C-O 3.59Å; H166-S194 WeakPolarHBondContact CA-O 3.4Å; H166-S194 WeakPolarHBondContact CA-OG 3.25Å; H166-S194 VanDerWaalsContact CG-OG 3.26Å; H166-S194 PolarHBondContact ND1-OG 3.16Å; C167-S194 PolarHBondContact N-O 2.8Å
195	P	91.9	Very high	90.3	Very high	38 Å²	38	68.4 Å²	68.4	25%	0.247	32%	0.321	C	S	.	.	S	Bend	cis	-72.3	174	-9.2	36.7	-38.7	0	0	0	111.7	C167 E197 Q198 K199	C167-P195 VanDerWaalsContact O-CD 3.24Å; C167-P195 WeakPolarHBondContact O-CD 3.42Å; P195-E197 VanDerWaalsContact CB-OE2 3.25Å; P195-E197 WeakPolarHBondContact CB-OE2 3.35Å; P195-E197 PolarHBondContact O-N 2.99Å; P195-E197 VanDerWaalsContact O-N 3.16Å; P195-Q198 HydrophobicContact CG-CG 4.38Å; P195-Q198 PolarHBondContact O-N 2.82Å; P195-Q198 VanDerWaalsContact O-N 3.09Å; P195-K199 PolarHBondContact O-N 3.19Å; P195-K199 VanDerWaalsContact O-N 3.11Å
196	Q	88.8	Confident	90.9	Very high	139 Å²	139	64 Å²	64	65%	0.65	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.8	-170.1	-67.2	-59.2	-37.7	0	0	112.7	Q198 K199	Q196-Q198 VanDerWaalsContact C-N 3.27Å; Q196-Q198 PolarHBondContact O-N 2.89Å; Q196-K199 WeakPolarHBondContact O-CB 2.97Å; Q196-K199 PolarHBondContact O-N 3.47Å
197	E	88.2	Confident	90.8	Very high	137 Å²	137	69.9 Å²	69.9	64%	0.64	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.4	-179.7	-57.3	72.7	-155.4	0	0	112.5	P195 K201	P195-E197 VanDerWaalsContact CB-OE2 3.25Å; P195-E197 WeakPolarHBondContact CB-OE2 3.35Å; P195-E197 PolarHBondContact O-N 2.99Å; P195-E197 VanDerWaalsContact O-N 3.16Å; E197-K201 VanDerWaalsContact O-CE 3.29Å; E197-K201 WeakPolarHBondContact O-CE 2.99Å; E197-K201 PolarHBondContact O-NZ 3.27Å
198	Q	89.7	Confident	90.5	Very high	16 Å²	16	71.1 Å²	71.1	8%	0.075	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-3.4	179.3	-57.4	-60.3	-13.5	0	0	112.7	C167 C192 P195 Q196 N200 K201 Q210	C167-Q198 HydrophobicContact CB-CB 4.25Å; C192-Q198 HydrophobicContact CB-CB 4.27Å; C192-Q198 VanDerWaalsContact CB-O 3.3Å; C192-Q198 WeakPolarHBondContact CB-O 3.14Å; P195-Q198 HydrophobicContact CG-CG 4.38Å; P195-Q198 PolarHBondContact O-N 2.82Å; P195-Q198 VanDerWaalsContact O-N 3.09Å; Q196-Q198 VanDerWaalsContact C-N 3.27Å; Q196-Q198 PolarHBondContact O-N 2.89Å; Q198-N200 PolarHBondContact O-N 2.87Å; Q198-K201 WeakPolarHBondContact O-CB 3.45Å; Q198-K201 PolarHBondContact O-N 2.89Å; Q198-K201 VanDerWaalsContact O-N 3.09Å; Q198-K201 VanDerWaalsContact OE1-CD 3.26Å; Q198-Q210 PolarHBondContact NE2-O 2.78Å
199	K	92.9	Very high	90	Very high	69 Å²	69	75.3 Å²	75.3	30%	0.3	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	137.1	-175.1	-172.5	167.8	-173.1	151.1	0	112	E193 P195 Q196 K201	E193-K199 VanDerWaalsContact OE1-CE 3.31Å; E193-K199 WeakPolarHBondContact OE1-CE 3.41Å; E193-K199 IonicContact OE1-NZ 3.8Å; E193-K199 PolarHBondContact OE1-NZ 2.96Å; P195-K199 PolarHBondContact O-N 3.19Å; P195-K199 VanDerWaalsContact O-N 3.11Å; Q196-K199 WeakPolarHBondContact O-CB 2.97Å; Q196-K199 PolarHBondContact O-N 3.47Å; K199-K201 PolarHBondContact O-N 3.43Å; K199-K201 VanDerWaalsContact O-N 3.12Å
200	N	93.1	Very high	89.5	Confident	106 Å²	106	71.3 Å²	71.3	57%	0.567	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-1.2	-177.4	-64.4	-54.6	0	0	0	116.6	C192 Q198	C192-N200 PolarHBondContact O-N 2.8Å; Q198-N200 PolarHBondContact O-N 2.87Å
201	K	92.9	Very high	88.8	Confident	81 Å²	81	71.9 Å²	71.9	35%	0.352	34%	0.34	S	S	.	.			trans	-72.7	140.7	172.7	-63.1	-172	-161.6	160.7	0	110.1	K191 C192 E197 Q198 K199 I206	K191-K201 CarbonylContact C-O 3.6Å; K191-K201 WeakPolarHBondContact CA-O 3.42Å; C192-K201 PolarHBondContact N-O 3.27Å; E197-K201 VanDerWaalsContact O-CE 3.29Å; E197-K201 WeakPolarHBondContact O-CE 2.99Å; E197-K201 PolarHBondContact O-NZ 3.27Å; Q198-K201 WeakPolarHBondContact O-CB 3.45Å; Q198-K201 PolarHBondContact O-N 2.89Å; Q198-K201 VanDerWaalsContact O-N 3.09Å; Q198-K201 VanDerWaalsContact OE1-CD 3.26Å; K199-K201 PolarHBondContact O-N 3.43Å; K199-K201 VanDerWaalsContact O-N 3.12Å; K201-I206 HydrophobicContact CB-CD1 4.08Å; K201-I206 HydrophobicContact CB-CG1 4.02Å
202	K	93.3	Very high	87.9	Confident	88 Å²	88	67.6 Å²	67.6	38%	0.383	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-71.5	133.9	177.2	-63.4	-179.4	-175.7	175	0	109.2	A190 K191 R204 Q205	A190-K202 VanDerWaalsContact O-CA 3.29Å; A190-K202 WeakPolarHBondContact O-CA 3.22Å; K191-K202 HydrophobicContact CG-CG 4.29Å; K202-R204 PolarHBondContact O-N 2.93Å; K202-R204 VanDerWaalsContact O-N 3.14Å; K202-Q205 HydrophobicContact CB-CB 4.37Å; K202-Q205 HydrophobicContact CB-CG 4.14Å; K202-Q205 PolarHBondContact O-N 2.71Å
203	L	91.9	Very high	86.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-51.8	-42.9	-179.3	-78.2	120.9	0	0	0	112.1	W165 I171 L174 I175 L178 A190 Q205 I206	W165-L203 HydrophobicContact CB-CD1 4.49Å; W165-L203 HydrophobicContact CD2-CD1 4.36Å; W165-L203 HydrophobicContact CG-CD1 3.93Å; I171-L203 HydrophobicContact CD1-CD2 3.74Å; I171-L203 HydrophobicContact CG1-CD2 4.26Å; L174-L203 HydrophobicContact CD2-CD2 4.42Å; I175-L203 HydrophobicContact CD1-CD2 4.02Å; I175-L203 HydrophobicContact CG1-CB 4.2Å; I175-L203 HydrophobicContact CG1-CD2 3.76Å; I175-L203 HydrophobicContact CG1-CG 4.48Å; I175-L203 WeakPolarHBondContact CG2-O 2.95Å; L178-L203 HydrophobicContact CD1-CB 4.14Å; A190-L203 VanDerWaalsContact C-CD1 3.48Å; A190-L203 HydrophobicContact CB-CD1 3.24Å; A190-L203 PolarHBondContact O-N 2.95Å; L203-Q205 PolarHBondContact O-N 3.31Å; L203-Q205 VanDerWaalsContact O-N 3.08Å; L203-I206 PolarHBondContact O-N 3.19Å
204	R	87.8	Confident	84.9	Confident	77 Å²	77	75.5 Å²	75.5	29%	0.291	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-65.2	-10.8	179.2	-65.5	-175.1	70.7	-162.7	-4.6	115.6	L178 Q179 R184 N188 K202	L178-R204 HydrophobicContact CB-CG 3.9Å; L178-R204 PolarHBondContact O-NE 3.23Å; Q179-R204 WeakPolarHBondContact CG-O 3.45Å; Q179-R204 PolarHBondContact NE2-O 3.36Å; R184-R204 PolarHBondContact O-NH1 3.28Å; N188-R204 PolarHBondContact OD1-NH1 3.41Å; K202-R204 PolarHBondContact O-N 2.93Å; K202-R204 VanDerWaalsContact O-N 3.14Å
205	Q	87.6	Confident	83.3	Confident	134 Å²	134	81.5 Å²	81.5	63%	0.626	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-108.6	-3.3	-176.4	-66.2	-178.3	-31	0	0	112.9	K202 L203	K202-Q205 HydrophobicContact CB-CB 4.37Å; K202-Q205 HydrophobicContact CB-CG 4.14Å; K202-Q205 PolarHBondContact O-N 2.71Å; L203-Q205 PolarHBondContact O-N 3.31Å; L203-Q205 VanDerWaalsContact O-N 3.08Å
206	I	87.8	Confident	81.7	Confident	1 Å²	1	83.9 Å²	83.9	1%	0.005	39%	0.394	C	S	.	.			trans	-88.1	126.7	-177.8	-61.6	169.2	0	0	0	108.7	C167 I175 Q179 C192 K201 L203 Q210 L211	C167-I206 HydrophobicContact CB-CD1 4.48Å; I175-I206 HydrophobicContact CD1-CB 4.38Å; I175-I206 HydrophobicContact CD1-CD1 4.38Å; I175-I206 WeakPolarHBondContact CG2-O 3.3Å; Q179-I206 PolarHBondContact NE2-O 3.22Å; C192-I206 WeakPolarHBondContact SG-CD1 3.46Å; K201-I206 HydrophobicContact CB-CD1 4.08Å; K201-I206 HydrophobicContact CB-CG1 4.02Å; L203-I206 PolarHBondContact O-N 3.19Å; I206-Q210 HydrophobicContact CG2-CB 4.25Å; I206-L211 HydrophobicContact CG2-CD1 3.86Å; I206-L211 HydrophobicContact CG2-CD2 3.84Å; I206-L211 HydrophobicContact CG2-CG 3.66Å
207	K	84.3	Confident	80.1	Confident	129 Å²	129	81 Å²	81	56%	0.561	38%	0.379	S	S	*	.			trans	-81	150	176.7	-55.5	-176.1	173.9	-174.9	0	110.7	E209 Q210	K207-E209 WeakPolarHBondContact CB-OE2 3.39Å; K207-E209 PolarHBondContact O-N 3.02Å; K207-Q210 HydrophobicContact CB-CG 4.24Å; K207-Q210 WeakPolarHBondContact O-CB 3.36Å; K207-Q210 PolarHBondContact O-N 2.92Å
208	S	77	Confident	78.5	Confident	29 Å²	29	81.1 Å²	81.1	20%	0.203	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-57.5	-36.1	-178.7	-51.8	0	0	0	0	112.7	Q210 L211 C212	S208-Q210 PolarHBondContact O-N 2.99Å; S208-Q210 VanDerWaalsContact O-N 3.12Å; S208-L211 PolarHBondContact O-N 3.01Å; S208-L211 VanDerWaalsContact O-N 3.12Å; S208-C212 PolarHBondContact O-N 2.89Å
209	E	76.9	Confident	76.9	Confident	141 Å²	141	88 Å²	88	66%	0.659	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-69	-10.5	178.7	-44.2	82.8	-162.6	0	0	113.5	K207	K207-E209 WeakPolarHBondContact CB-OE2 3.39Å; K207-E209 PolarHBondContact O-N 3.02Å
210	Q	79.8	Confident	74.8	Confident	91 Å²	91	89 Å²	89	43%	0.425	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-93.7	-5.5	177.5	-58.8	-179.8	-9.8	0	0	113	Q198 I206 K207 S208	Q198-Q210 PolarHBondContact NE2-O 2.78Å; I206-Q210 HydrophobicContact CG2-CB 4.25Å; K207-Q210 HydrophobicContact CB-CG 4.24Å; K207-Q210 WeakPolarHBondContact O-CB 3.36Å; K207-Q210 PolarHBondContact O-N 2.92Å; S208-Q210 PolarHBondContact O-N 2.99Å; S208-Q210 VanDerWaalsContact O-N 3.12Å
211	L	80.1	Confident	72.5	Confident	13 Å²	13	89.9 Å²	89.9	7%	0.068	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-37	-175.7	-67.1	163.4	0	0	0	112.7	C167 C169 I175 I206 S208	C167-L211 HydrophobicContact CB-CD2 3.97Å; C167-L211 WeakPolarHBondContact O-CD2 3.44Å; C169-L211 PolarHBondContact N-O 3.11Å; I175-L211 HydrophobicContact CB-CD1 4.38Å; I175-L211 HydrophobicContact CD1-CD1 3.42Å; I175-L211 VanDerWaalsContact CD1-CD1 3.42Å; I175-L211 HydrophobicContact CD1-CD2 4.09Å; I175-L211 HydrophobicContact CD1-CG 4.37Å; I175-L211 HydrophobicContact CG1-CD1 4.45Å; I175-L211 HydrophobicContact CG2-CD1 4.39Å; I206-L211 HydrophobicContact CG2-CD1 3.86Å; I206-L211 HydrophobicContact CG2-CD2 3.84Å; I206-L211 HydrophobicContact CG2-CG 3.66Å; S208-L211 PolarHBondContact O-N 3.01Å; S208-L211 VanDerWaalsContact O-N 3.12Å
212	C	76.6	Confident	70	Confident	8 Å²	8	91.8 Å²	91.8	5%	0.054	45%	0.445	C	S	.	.			trans	-130.5	136.8	-179.1	-48.1	0	0	0	0	110	C169 E172 S208 K217	C169-C212 WeakPolarHBondContact CA-SG 3.06Å; C169-C212 HydrophobicContact CB-CB 3.86Å; C169-C212 WeakPolarHBondContact CB-SG 3.32Å; C169-C212 WeakPolarHBondContact SG-CB 3.35Å; C169-C212 CovalentContact SG-SG 2.03Å; C169-C212 PolarHBondContact SG-SG 3.27Å; E172-C212 PolarHBondContact OE2-SG 3.43Å; S208-C212 PolarHBondContact O-N 2.89Å; C212-K217 HydrophobicContact CB-CG 4.09Å
213	N	71.2	Confident	67.3	Low	100 Å²	100	95.4 Å²	95.4	54%	0.535	46%	0.461	S	S	.	.			trans	-86.7	153.1	160.6	-61.7	-34.7	0	0	0	109.8	E215 E216 K217	N213-E215 PolarHBondContact O-N 2.91Å; N213-E215 VanDerWaalsContact O-N 3.13Å; N213-E216 HydrophobicContact CB-CG 4.47Å; N213-E216 PolarHBondContact N-OE2 3.5Å; N213-E216 PolarHBondContact O-N 3.37Å; N213-K217 PolarHBondContact O-N 2.86Å
214	E	59.7	Low	64.9	Low	155 Å²	155	101 Å²	101	72%	0.724	50%	0.498	S	S	*	.	H	α-helix	trans	-54.8	-32.3	179.5	-69.1	-67.3	148	0	0	112.8
215	E	58.8	Low	62.9	Low	160 Å²	160	106.6 Å²	106.6	75%	0.748	53%	0.527	S	S	*	.	H	α-helix	trans	-71.4	-26.6	176.5	-63.2	-179.9	174	0	0	113.7	N213	N213-E215 PolarHBondContact O-N 2.91Å; N213-E215 VanDerWaalsContact O-N 3.13Å
216	E	56.6	Low	60.7	Low	88 Å²	88	105.8 Å²	105.8	41%	0.411	53%	0.531	S	S	.	.	H	α-helix	trans	-83.7	-25.1	-179.8	-68.9	175.6	158	0	0	111.9	N213 E218 Q219	N213-E216 HydrophobicContact CB-CG 4.47Å; N213-E216 PolarHBondContact N-OE2 3.5Å; N213-E216 PolarHBondContact O-N 3.37Å; E216-E218 VanDerWaalsContact C-N 3.29Å; E216-E218 PolarHBondContact O-N 2.85Å; E216-Q219 PolarHBondContact O-N 3.02Å
217	K	55.1	Low	58.6	Low	78 Å²	78	111.8 Å²	111.8	34%	0.339	57%	0.573	S	S	.	*	H	α-helix	trans	-62.9	-35.5	172.8	-72.2	-172	172	-170.4	0	112.1	E172 C212 N213 Q219	E172-K217 WeakPolarHBondContact OE1-CE 3.43Å; E172-K217 IonicContact OE1-NZ 2.76Å; E172-K217 PolarHBondContact OE1-NZ 3.12Å; E172-K217 VanDerWaalsContact OE2-CE 3.27Å; E172-K217 WeakPolarHBondContact OE2-CE 3.35Å; E172-K217 IonicContact OE2-NZ 2.8Å; C212-K217 HydrophobicContact CB-CG 4.09Å; N213-K217 PolarHBondContact O-N 2.86Å; K217-Q219 VanDerWaalsContact C-N 3.26Å; K217-Q219 PolarHBondContact O-N 2.98Å
218	E	54.6	Low	56.6	Low	139 Å²	139	108 Å²	108	65%	0.65	57%	0.571	S	S	*	*	H	α-helix	trans	-71.9	-13.1	176.9	-71.7	-169.7	161.8	0	0	114.6	E216	E216-E218 VanDerWaalsContact C-N 3.29Å; E216-E218 PolarHBondContact O-N 2.85Å
219	Q	56.2	Low	55.1	Low	162 Å²	162	118.8 Å²	118.8	76%	0.757	61%	0.607	S	S	*	*	H	α-helix	trans	-97.4	-20.3	-178.3	-68	-175.5	10.4	0	0	114.1	E216 K217	E216-Q219 PolarHBondContact O-N 3.02Å; K217-Q219 VanDerWaalsContact C-N 3.26Å; K217-Q219 PolarHBondContact O-N 2.98Å
220	L	50.6	Low	53.3	Low	88 Å²	88	116.5 Å²	116.5	46%	0.461	60%	0.604	S	S	.	*	H	α-helix	trans	-81	-20.2	-179.2	-80.6	150.8	0	0	0	113.2	C169 E170 P222	C169-L220 HydrophobicContact CB-CD1 3.76Å; C169-L220 WeakPolarHBondContact SG-CD1 3.29Å; E170-L220 HydrophobicContact CG-CD2 4.35Å; L220-P222 WeakPolarHBondContact O-CD 3.32Å
221	D	44.2	Very low	51.4	Low	125 Å²	125	117.3 Å²	117.3	67%	0.668	62%	0.618	S	S	*	*	S	Bend	trans	-81.7	116.6	168.1	-75.7	-30.6	0	0	0	109.8	K223	D221-K223 PolarHBondContact O-N 2.98Å
222	P	41	Very low	49.5	Very low	121 Å²	121	123.6 Å²	123.6	79%	0.786	66%	0.656	S	S	*	*			trans	-65.7	102.8	171	-2.8	15.8	0	0	0	108.3	L220 P224	L220-P222 WeakPolarHBondContact O-CD 3.32Å; P222-P224 WeakPolarHBondContact O-CD 3.44Å
223	K	35.2	Very low	47.9	Very low	165 Å²	165	129 Å²	129	72%	0.717	68%	0.683	S	S	*	*			trans	-52.1	125.1	163.7	-78.4	174.9	-180	165.8	0	108	D221 Q225	D221-K223 PolarHBondContact O-N 2.98Å; K223-Q225 PolarHBondContact O-N 2.85Å
224	P	41.9	Very low	46.4	Very low	118 Å²	118	132.5 Å²	132.5	77%	0.766	69%	0.694	S	S	*	*			trans	-60	113.2	166.9	-16.9	28.9	0	0	0	107.7	P222 V226	P222-P224 WeakPolarHBondContact O-CD 3.44Å; P224-V226 VanDerWaalsContact C-N 3.27Å; P224-V226 PolarHBondContact O-N 2.02Å
225	Q	46.2	Very low	45.7	Very low	194 Å²	194	130.5 Å²	130.5	91%	0.907	69%	0.694	S	S	*	*			trans	-69.6	92.3	165.4	-74.7	-159.3	-8.6	0	0	108	K223	K223-Q225 PolarHBondContact O-N 2.85Å
226	V	41.7	Very low	45.5	Very low	117 Å²	117	129.4 Å²	129.4	71%	0.709	69%	0.689	S	S	*	*			trans	-122.4	99.8	159.8	-175.9	0	0	0	0	107.3	P224 G228	P224-V226 VanDerWaalsContact C-N 3.27Å; P224-V226 PolarHBondContact O-N 2.02Å; V226-G228 PolarHBondContact O-N 2.97Å
227	S	43.7	Very low	45.7	Very low	126 Å²	126	127.7 Å²	127.7	88%	0.881	68%	0.684	S	S	*	*			trans	-62.3	111.4	164.6	50.5	0	0	0	0	109.4
228	G	41.8	Very low	46.5	Very low	50 Å²	50	125.9 Å²	125.9	52%	0.515	68%	0.678	S	S	.	*	S	Bend	trans	148.4	110	173.8	0	0	0	0	0	108.9	V226 P230	V226-G228 PolarHBondContact O-N 2.97Å; G228-P230 WeakPolarHBondContact O-CD 3.22Å; G228-P230 WeakPolarHBondContact O-CG 3.49Å
229	R	46	Very low	47.5	Very low	256 Å²	256	120 Å²	120	97%	0.966	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-55.3	116.9	177.2	-168.4	-176.9	-155.6	-175.1	6.1	110.2
230	P	39.5	Very low	48.5	Very low	92 Å²	92	117.3 Å²	117.3	60%	0.597	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-102.2	165.2	162.8	5.3	20.3	0	0	0	109.4	G228	G228-P230 WeakPolarHBondContact O-CD 3.22Å; G228-P230 WeakPolarHBondContact O-CG 3.49Å
231	P	38.4	Very low	49.8	Very low	109 Å²	109	118.7 Å²	118.7	71%	0.708	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-63.8	162.1	-170.7	28.8	-34	0	0	0	111.1	I233	P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 3.39Å
232	V	40	Very low	51.7	Low	144 Å²	144	113.5 Å²	113.5	87%	0.873	62%	0.623	S	S	*	*			trans	-55.5	93.2	173.2	179.2	0	0	0	0	109.1	K234	V232-K234 PolarHBondContact O-N 3.21Å
233	I	43.7	Very low	53.8	Low	121 Å²	121	112.3 Å²	112.3	62%	0.621	61%	0.607	S	S	*	*			trans	-73.8	109.9	168.7	-64.1	167	0	0	0	104.6	P231	P231-I233 VanDerWaalsContact C-N 3.3Å; P231-I233 PolarHBondContact O-N 3.39Å
234	K	40	Very low	56.3	Low	175 Å²	175	107.8 Å²	107.8	76%	0.761	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-52.8	135.2	163.5	-69.2	176.3	179.5	174.9	0	106.7	V232 E236	V232-K234 PolarHBondContact O-N 3.21Å; K234-E236 PolarHBondContact O-N 3.43Å
235	P	44.6	Very low	57.8	Low	113 Å²	113	107.2 Å²	107.2	73%	0.734	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-50.7	121.4	179.4	19.8	-30.4	0	0	0	108.4	V237	P235-V237 PolarHBondContact O-N 3.17Å
236	E	54.4	Low	59.1	Low	136 Å²	136	102 Å²	102	64%	0.636	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-59.5	134	175.2	-72.4	-170.3	163.2	0	0	107.7	K234 D238 N264	K234-E236 PolarHBondContact O-N 3.43Å; E236-D238 PolarHBondContact O-N 2.9Å; E236-N264 PolarHBondContact OE2-ND2 2.67Å
237	V	60.9	Low	59.8	Low	53 Å²	53	102.9 Å²	102.9	32%	0.321	55%	0.55	S	S	.	.			trans	-70.5	107.8	-177.9	177	0	0	0	0	107	P235 L259 P263 N264	P235-V237 PolarHBondContact O-N 3.17Å; V237-L259 HydrophobicContact CG1-CD2 3.33Å; V237-L259 HydrophobicContact CG1-CG 4.42Å; V237-P263 HydrophobicContact CG1-CB 4.4Å; V237-P263 VanDerWaalsContact O-CA 3.3Å; V237-P263 WeakPolarHBondContact O-CA 3.38Å; V237-N264 PolarHBondContact O-N 3.09Å
238	D	72.3	Confident	60.9	Low	39 Å²	39	102 Å²	102	21%	0.209	54%	0.541	C	S	.	.	B	Isolated β-bridge	trans	-102.4	155.6	-174.3	-176.6	35.1	0	0	0	111.6	E236 T240 F241 N265	E236-D238 PolarHBondContact O-N 2.9Å; D238-T240 PolarHBondContact O-N 3.35Å; D238-T240 WeakPolarHBondContact OD2-CG2 3.46Å; D238-T240 PolarHBondContact OD2-OG1 3.34Å; D238-F241 VanDerWaalsContact O-CD2 3.26Å; D238-F241 WeakPolarHBondContact O-CD2 3.29Å; D238-F241 PolarHBondContact O-N 2.71Å; D238-N265 WeakPolarHBondContact OD1-CB 3.5Å; D238-N265 PolarHBondContact OD1-ND2 3.19Å
239	S	74.9	Confident	62.5	Low	17 Å²	17	103.3 Å²	103.3	12%	0.119	54%	0.536	C	S	.	.	G	3₁₀ helix	trans	-63.2	-15.2	-178.1	70.3	0	0	0	0	113.1	F241 C242 N264 N265	S239-F241 PolarHBondContact O-N 3.1Å; S239-C242 VanDerWaalsContact O-CB 3.22Å; S239-C242 WeakPolarHBondContact O-CB 3.28Å; S239-C242 PolarHBondContact O-N 2.9Å; S239-N264 WeakPolarHBondContact CB-O 3.44Å; S239-N264 PolarHBondContact N-O 3.42Å; S239-N265 WeakPolarHBondContact CB-O 3.11Å; S239-N265 PolarHBondContact OG-O 3.17Å
240	T	76.9	Confident	64.4	Low	105 Å²	105	93.2 Å²	93.2	64%	0.644	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-59.9	-21	173.9	49	0	0	0	0	114.5	D238 C242	D238-T240 PolarHBondContact O-N 3.35Å; D238-T240 WeakPolarHBondContact OD2-CG2 3.46Å; D238-T240 PolarHBondContact OD2-OG1 3.34Å; T240-C242 PolarHBondContact O-N 3.37Å
241	F	77.7	Confident	66.7	Low	116 Å²	116	89.9 Å²	89.9	51%	0.509	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-74.4	-12	172.6	-66.6	-71.9	0	0	0	113.5	D238 S239 K257	D238-F241 VanDerWaalsContact O-CD2 3.26Å; D238-F241 WeakPolarHBondContact O-CD2 3.29Å; D238-F241 PolarHBondContact O-N 2.71Å; S239-F241 PolarHBondContact O-N 3.1Å; F241-K257 VanDerWaalsContact O-CE 3.29Å; F241-K257 WeakPolarHBondContact O-CE 3.2Å; F241-K257 PolarHBondContact O-NZ 2.99Å
242	C	85.5	Confident	69.4	Low	16 Å²	16	84.9 Å²	84.9	11%	0.108	45%	0.445	C	S	.	.	S	Bend	trans	-97.5	157.5	-177.3	-51.3	0	0	0	0	111.9	S239 T240 L252 D253 C254	S239-C242 VanDerWaalsContact O-CB 3.22Å; S239-C242 WeakPolarHBondContact O-CB 3.28Å; S239-C242 PolarHBondContact O-N 2.9Å; T240-C242 PolarHBondContact O-N 3.37Å; C242-L252 HydrophobicContact CB-CD1 3.7Å; C242-L252 HydrophobicContact CB-CD2 4.48Å; C242-L252 HydrophobicContact CB-CG 3.9Å; C242-D253 CarbonylContact C-O 3.47Å; C242-D253 WeakPolarHBondContact CA-O 3.37Å; C242-D253 WeakPolarHBondContact CB-O 3.44Å; C242-C254 HydrophobicContact CB-CB 3.91Å; C242-C254 WeakPolarHBondContact CB-SG 3.26Å; C242-C254 WeakPolarHBondContact SG-CA 3.15Å; C242-C254 WeakPolarHBondContact SG-CB 3.47Å; C242-C254 CovalentContact SG-SG 2.02Å; C242-C254 PolarHBondContact SG-SG 2.75Å
243	H	85.3	Confident	71.9	Confident	97 Å²	97	80 Å²	80	45%	0.449	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.7	175.9	-169.1	89.6	0	0	0	110.3	Y245 D253	H243-Y245 HydrophobicContact CB-CE2 4.32Å; H243-Y245 AromaticContact CD2-CD1 3.53Å; H243-Y245 AromaticContact CD2-CD2 3.56Å; H243-Y245 AromaticContact CD2-CE1 3.24Å; H243-Y245 WeakPolarHBondContact CD2-CE1 3.32Å; H243-Y245 AromaticContact CD2-CE2 3.28Å; H243-Y245 WeakPolarHBondContact CD2-CE2 3.26Å; H243-Y245 AromaticContact CD2-CG 3.68Å; H243-Y245 AromaticContact CD2-CZ 3.09Å; H243-Y245 AromaticContact CG-CZ 3.94Å; H243-Y245 AromaticContact NE2-CD1 3.52Å; H243-Y245 AromaticContact NE2-CE1 3.21Å; H243-Y245 WeakPolarHBondContact NE2-CE1 3.4Å; H243-Y245 AromaticContact NE2-CZ 3.56Å; H243-D253 HydrophobicContact CB-CB 4.41Å; H243-D253 PolarHBondContact N-O 3.27Å; H243-D253 PolarHBondContact O-N 3.33Å
244	N	86.3	Confident	74.2	Confident	70 Å²	70	74.2 Å²	74.2	37%	0.374	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.3	177.7	-172.8	-4.3	0	0	0	111.1	L252	N244-L252 HydrophobicContact CB-CD1 4.07Å
245	Y	74	Confident	76.8	Confident	106 Å²	106	69.4 Å²	69.4	42%	0.416	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	109.5	172.4	-60.3	-81.5	0	0	0	110.5	H243 F247 I249 Q250 T251 D253	H243-Y245 HydrophobicContact CB-CE2 4.32Å; H243-Y245 AromaticContact CD2-CD1 3.53Å; H243-Y245 AromaticContact CD2-CD2 3.56Å; H243-Y245 AromaticContact CD2-CE1 3.24Å; H243-Y245 WeakPolarHBondContact CD2-CE1 3.32Å; H243-Y245 AromaticContact CD2-CE2 3.28Å; H243-Y245 WeakPolarHBondContact CD2-CE2 3.26Å; H243-Y245 AromaticContact CD2-CG 3.68Å; H243-Y245 AromaticContact CD2-CZ 3.09Å; H243-Y245 AromaticContact CG-CZ 3.94Å; H243-Y245 AromaticContact NE2-CD1 3.52Å; H243-Y245 AromaticContact NE2-CE1 3.21Å; H243-Y245 WeakPolarHBondContact NE2-CE1 3.4Å; H243-Y245 AromaticContact NE2-CZ 3.56Å; Y245-F247 VanDerWaalsContact C-N 3.33Å; Y245-F247 PolarHBondContact O-N 3.41Å; Y245-I249 VanDerWaalsContact O-O 3.11Å; Y245-Q250 CarbonylContact O-C 3.58Å; Y245-Q250 VanDerWaalsContact O-CA 3.29Å; Y245-Q250 WeakPolarHBondContact O-CA 3.5Å; Y245-T251 HydrophobicContact CD2-CG2 4.44Å; Y245-T251 PolarHBondContact N-O 3.06Å; Y245-T251 PolarHBondContact O-N 3.38Å; Y245-D253 HydrophobicContact CD2-CB 4.1Å; Y245-D253 HydrophobicContact CE2-CB 3.68Å
246	V	74.4	Confident	79	Confident	85 Å²	85	72.2 Å²	72.2	52%	0.515	36%	0.359	S	S	.	.			trans	-81	-12.3	-179.6	-173.4	0	0	0	0	112.7
247	F	56.2	Low	80.7	Confident	134 Å²	134	70.6 Å²	70.6	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	-143.8	144.5	-177	-177.1	-89.4	0	0	0	111.7	Y245	Y245-F247 VanDerWaalsContact C-N 3.33Å; Y245-F247 PolarHBondContact O-N 3.41Å
248	P	66.8	Low	82.2	Confident	109 Å²	109	74.3 Å²	74.3	71%	0.708	36%	0.364	S	S	*	.	S	Bend	cis	-76.6	-15.1	-0.8	31.2	-35.9	0	0	0	114.6
249	I	75.8	Confident	83.1	Confident	77 Å²	77	72.8 Å²	72.8	40%	0.395	36%	0.355	S	S	.	.	S	Bend	trans	-134.6	133.5	179.9	-62.7	173.2	0	0	0	106.4	Y245 T251 V271	Y245-I249 VanDerWaalsContact O-O 3.11Å; I249-T251 PolarHBondContact O-N 2.91Å; I249-T251 PolarHBondContact O-OG1 2.9Å; I249-V271 HydrophobicContact CG2-CB 3.53Å; I249-V271 HydrophobicContact CG2-CG1 3.5Å; I249-V271 VanDerWaalsContact CG2-CG1 3.5Å; I249-V271 HydrophobicContact CG2-CG2 4.37Å
250	Q	84.1	Confident	83.9	Confident	43 Å²	43	79 Å²	79	20%	0.201	38%	0.381	C	S	.	.			trans	-56.5	107.9	175.5	-67.5	-153.4	36	0	0	110.2	Y245 D269 V271 K272	Y245-Q250 CarbonylContact O-C 3.58Å; Y245-Q250 VanDerWaalsContact O-CA 3.29Å; Y245-Q250 WeakPolarHBondContact O-CA 3.5Å; Q250-D269 PolarHBondContact NE2-OD2 3.2Å; Q250-D269 PolarHBondContact OE1-O 3.36Å; Q250-D269 PolarHBondContact OE1-OD1 2.89Å; Q250-D269 PolarHBondContact OE1-OD2 2.92Å; Q250-D269 VanDerWaalsContact OE1-OD2 3.06Å; Q250-V271 HydrophobicContact CB-CG2 4.42Å; Q250-V271 PolarHBondContact O-N 3.33Å; Q250-K272 PolarHBondContact O-N 3.45Å
251	T	89	Confident	84.6	Confident	22 Å²	22	78.6 Å²	78.6	14%	0.135	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.5	-173.4	-55.1	0	0	0	0	109.5	Y245 I249 K272	Y245-T251 HydrophobicContact CD2-CG2 4.44Å; Y245-T251 PolarHBondContact N-O 3.06Å; Y245-T251 PolarHBondContact O-N 3.38Å; I249-T251 PolarHBondContact O-N 2.91Å; I249-T251 PolarHBondContact O-OG1 2.9Å; T251-K272 CarbonylContact C-O 3.5Å; T251-K272 VanDerWaalsContact CA-O 3.22Å; T251-K272 WeakPolarHBondContact CA-O 3.28Å; T251-K272 HydrophobicContact CG2-CB 3.95Å; T251-K272 HydrophobicContact CG2-CD 3.75Å; T251-K272 HydrophobicContact CG2-CG 3.82Å
252	L	94.1	Very high	85.2	Confident	4 Å²	4	73.5 Å²	73.5	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.8	168.4	-170.7	67.5	0	0	0	109.1	C242 N244 I266 I270 K272 L273 D274	C242-L252 HydrophobicContact CB-CD1 3.7Å; C242-L252 HydrophobicContact CB-CD2 4.48Å; C242-L252 HydrophobicContact CB-CG 3.9Å; N244-L252 HydrophobicContact CB-CD1 4.07Å; L252-I266 HydrophobicContact CD2-CG1 4.46Å; L252-I266 HydrophobicContact CD2-CG2 3.86Å; L252-I270 HydrophobicContact CB-CD1 4.34Å; L252-I270 HydrophobicContact CB-CG2 4.23Å; L252-K272 PolarHBondContact N-O 3.32Å; L252-L273 HydrophobicContact CB-CD1 3.88Å; L252-L273 HydrophobicContact CD2-CD1 3.89Å; L252-L273 HydrophobicContact CG-CD1 4.13Å; L252-D274 PolarHBondContact O-N 3.19Å
253	D	92.4	Very high	85.4	Confident	41 Å²	41	72.9 Å²	72.9	22%	0.219	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	101.4	-179.1	-176.1	-1.2	0	0	0	110.6	C242 H243 Y245 K255	C242-D253 CarbonylContact C-O 3.47Å; C242-D253 WeakPolarHBondContact CA-O 3.37Å; C242-D253 WeakPolarHBondContact CB-O 3.44Å; H243-D253 HydrophobicContact CB-CB 4.41Å; H243-D253 PolarHBondContact N-O 3.27Å; H243-D253 PolarHBondContact O-N 3.33Å; Y245-D253 HydrophobicContact CD2-CB 4.1Å; Y245-D253 HydrophobicContact CE2-CB 3.68Å; D253-K255 WeakPolarHBondContact OD1-CB 3.43Å; D253-K255 PolarHBondContact OD1-N 3.17Å
254	C	93.6	Very high	85.4	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.342	C	S	.	.			trans	-103.7	17.6	178	-63.8	0	0	0	0	112.1	C242 K257 L259 D274 L275 N278	C242-C254 HydrophobicContact CB-CB 3.91Å; C242-C254 WeakPolarHBondContact CB-SG 3.26Å; C242-C254 WeakPolarHBondContact SG-CA 3.15Å; C242-C254 WeakPolarHBondContact SG-CB 3.47Å; C242-C254 CovalentContact SG-SG 2.02Å; C242-C254 PolarHBondContact SG-SG 2.75Å; C254-K257 VanDerWaalsContact O-CG 3.32Å; C254-K257 WeakPolarHBondContact O-CG 3.44Å; C254-L259 HydrophobicContact CB-CD1 3.84Å; C254-D274 CarbonylContact C-O 3.6Å; C254-D274 VanDerWaalsContact CA-O 3.3Å; C254-D274 WeakPolarHBondContact CA-O 3.26Å; C254-D274 VanDerWaalsContact CB-O 3.3Å; C254-D274 WeakPolarHBondContact CB-O 3.27Å; C254-D274 PolarHBondContact N-O 3.2Å; C254-L275 HydrophobicContact CB-CD2 3.54Å; C254-L275 HydrophobicContact CB-CG 4.37Å; C254-N278 PolarHBondContact O-ND2 3Å
255	K	93	Very high	85.2	Confident	74 Å²	74	74.6 Å²	74.6	32%	0.322	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	138.6	-173.1	178.6	170.5	-179.6	164	0	112.8	D253 K257 D274 S276 Y277	D253-K255 WeakPolarHBondContact OD1-CB 3.43Å; D253-K255 PolarHBondContact OD1-N 3.17Å; K255-K257 PolarHBondContact O-N 3.13Å; K255-D274 PolarHBondContact N-O 3.13Å; K255-S276 VanDerWaalsContact CA-O 3.32Å; K255-S276 WeakPolarHBondContact CA-O 3.44Å; K255-Y277 HydrophobicContact CD-CD2 4.25Å; K255-Y277 VanDerWaalsContact CE-CD2 3.4Å; K255-Y277 HydrophobicContact CG-CD2 4.22Å
256	R	92.6	Very high	85.9	Confident	173 Å²	173	70.3 Å²	70.3	65%	0.653	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	44.6	175	-64.3	174.2	-178.7	-179.7	-1.3	113.9	S276 Y277	R256-S276 PolarHBondContact N-O 2.81Å; R256-Y277 WeakPolarHBondContact CA-O 3.49Å; R256-Y277 HydrophobicContact CG-CG 4.26Å
257	K	90	Very high	86.4	Confident	102 Å²	102	67.8 Å²	67.8	44%	0.443	33%	0.326	S	S	.	.	S	Bend	trans	-107.2	8.7	178.6	-62.5	-67.5	179.8	148.2	0	113.3	F241 C254 K255 L259 N278	F241-K257 VanDerWaalsContact O-CE 3.29Å; F241-K257 WeakPolarHBondContact O-CE 3.2Å; F241-K257 PolarHBondContact O-NZ 2.99Å; C254-K257 VanDerWaalsContact O-CG 3.32Å; C254-K257 WeakPolarHBondContact O-CG 3.44Å; K255-K257 PolarHBondContact O-N 3.13Å; K257-L259 HydrophobicContact CB-CD1 4.22Å; K257-L259 HydrophobicContact CB-CD2 3.76Å; K257-L259 HydrophobicContact CB-CG 3.74Å; K257-L259 PolarHBondContact O-N 2.78Å; K257-N278 WeakPolarHBondContact CA-OD1 3.46Å; K257-N278 PolarHBondContact N-OD1 2.82Å
258	E	91.3	Very high	87.8	Confident	130 Å²	130	65.3 Å²	65.3	61%	0.607	32%	0.323	S	S	*	.			trans	56.2	27.1	-177.5	-54.3	-162.4	-167	0	0	114.4	K260 N278 K279	E258-K260 PolarHBondContact O-N 3.41Å; E258-N278 PolarHBondContact N-OD1 3.06Å; E258-K279 HydrophobicContact CB-CD 4.44Å; E258-K279 IonicContact OE2-NZ 3.53Å; E258-K279 PolarHBondContact OE2-NZ 3.25Å
259	L	91.3	Very high	88.7	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.037	31%	0.309	C	S	.	.			trans	-64.7	133	-177.1	-49.5	174	0	0	0	110	V237 C254 K257 L275 N278 K279 I280	V237-L259 HydrophobicContact CG1-CD2 3.33Å; V237-L259 HydrophobicContact CG1-CG 4.42Å; C254-L259 HydrophobicContact CB-CD1 3.84Å; K257-L259 HydrophobicContact CB-CD1 4.22Å; K257-L259 HydrophobicContact CB-CD2 3.76Å; K257-L259 HydrophobicContact CB-CG 3.74Å; K257-L259 PolarHBondContact O-N 2.78Å; L259-L275 HydrophobicContact CD1-CD2 3.85Å; L259-N278 HydrophobicContact CB-CB 4.01Å; L259-N278 HydrophobicContact CG-CB 4.49Å; L259-N278 PolarHBondContact N-OD1 2.89Å; L259-N278 VanDerWaalsContact N-OD1 3.16Å; L259-K279 CarbonylContact O-C 3.56Å; L259-K279 VanDerWaalsContact O-CA 3.26Å; L259-K279 WeakPolarHBondContact O-CA 3.38Å; L259-K279 PolarHBondContact O-N 2.96Å; L259-I280 HydrophobicContact CB-CG1 4.47Å; L259-I280 PolarHBondContact O-N 3.14Å
260	K	91.4	Very high	89.4	Confident	149 Å²	149	60.1 Å²	60.1	65%	0.648	29%	0.29	S	S	*	.	S	Bend	trans	-94.7	-11.1	175.9	-65.1	-175.8	179.2	-177.2	0	113.4	E258 K279	E258-K260 PolarHBondContact O-N 3.41Å; K260-K279 WeakPolarHBondContact CA-O 3.2Å; K260-K279 HydrophobicContact CG-CB 4.45Å
261	K	91.1	Very high	89.8	Confident	96 Å²	96	59.8 Å²	59.8	42%	0.417	29%	0.291	S	S	.	.	S	Bend	trans	-146.8	161.2	-178.1	-59.3	-173.9	-172.5	179.8	0	108.5	R284	K261-R284 VanDerWaalsContact CE-NH2 3.33Å; K261-R284 VanDerWaalsContact NZ-NH1 3.13Å
262	V	91.9	Very high	90.2	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.048	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.8	133	166.2	-179.7	0	0	0	0	108.4	I266 L275 I280 L283 E287 F288	V262-I266 HydrophobicContact CG1-CD1 3.69Å; V262-L275 HydrophobicContact CG1-CD1 4.25Å; V262-L275 HydrophobicContact CG2-CD1 4.29Å; V262-I280 HydrophobicContact CG2-CD1 4.44Å; V262-L283 HydrophobicContact CG2-CD2 3.91Å; V262-E287 HydrophobicContact CB-CB 4.32Å; V262-E287 HydrophobicContact CB-CG 4.43Å; V262-E287 HydrophobicContact CG1-CB 4.49Å; V262-E287 HydrophobicContact CG2-CB 4.3Å; V262-E287 VanDerWaalsContact CG2-OE2 3.32Å; V262-E287 WeakPolarHBondContact CG2-OE2 3.49Å; V262-F288 HydrophobicContact CG1-CD1 4.41Å; V262-F288 HydrophobicContact CG1-CE1 3.75Å; V262-F288 HydrophobicContact CG1-CZ 4.13Å; V262-F288 HydrophobicContact CG2-CE1 4.21Å; V262-F288 HydrophobicContact CG2-CE2 4.42Å; V262-F288 HydrophobicContact CG2-CZ 3.72Å
263	P	89.8	Confident	90.3	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.026	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-68.2	147.1	179.9	26.6	-32.5	0	0	0	111.3	V237 I266 L275	V237-P263 HydrophobicContact CG1-CB 4.4Å; V237-P263 VanDerWaalsContact O-CA 3.3Å; V237-P263 WeakPolarHBondContact O-CA 3.38Å; P263-I266 HydrophobicContact CG-CD1 4.36Å; P263-I266 HydrophobicContact CG-CG1 4.31Å; P263-I266 WeakPolarHBondContact O-CG1 3.46Å; P263-L275 HydrophobicContact CG-CD2 4.15Å
264	N	84.4	Confident	90.5	Very high	75 Å²	75	60.9 Å²	60.9	40%	0.401	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-74.3	165.9	173.1	-65.8	-18.6	0	0	0	110.9	E236 V237 S239 I266	E236-N264 PolarHBondContact OE2-ND2 2.67Å; V237-N264 PolarHBondContact O-N 3.09Å; S239-N264 WeakPolarHBondContact CB-O 3.44Å; S239-N264 PolarHBondContact N-O 3.42Å; N264-I266 PolarHBondContact O-N 2.97Å
265	N	82.9	Confident	90.7	Very high	127 Å²	127	60.9 Å²	60.9	68%	0.679	29%	0.292	S	S	*	.			trans	56	43.6	175.4	-49	-47.7	0	0	0	114.4	D238 S239	D238-N265 WeakPolarHBondContact OD1-CB 3.5Å; D238-N265 PolarHBondContact OD1-ND2 3.19Å; S239-N265 WeakPolarHBondContact CB-O 3.11Å; S239-N265 PolarHBondContact OG-O 3.17Å
266	I	88.1	Confident	90.9	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.087	28%	0.277	C	S	.	.			trans	-68.2	130.2	172.8	-57.9	174.4	0	0	0	108.3	L252 V262 P263 N264 I270 L273 V291	L252-I266 HydrophobicContact CD2-CG1 4.46Å; L252-I266 HydrophobicContact CD2-CG2 3.86Å; V262-I266 HydrophobicContact CG1-CD1 3.69Å; P263-I266 HydrophobicContact CG-CD1 4.36Å; P263-I266 HydrophobicContact CG-CG1 4.31Å; P263-I266 WeakPolarHBondContact O-CG1 3.46Å; N264-I266 PolarHBondContact O-N 2.97Å; I266-I270 HydrophobicContact CG2-CD1 3.25Å; I266-I270 HydrophobicContact CG2-CG1 3.98Å; I266-L273 HydrophobicContact CD1-CD2 3.91Å; I266-V291 HydrophobicContact CB-CG1 3.8Å; I266-V291 HydrophobicContact CG2-CG1 3.5Å; I266-V291 VanDerWaalsContact CG2-CG1 3.5Å
267	P	85.2	Confident	91.1	Very high	31 Å²	31	54.4 Å²	54.4	20%	0.201	27%	0.267	C	S	.	.			trans	-60.3	133.3	-179	-19.3	29.6	0	0	0	111.1	D269 I270	P267-D269 PolarHBondContact O-N 2.71Å; P267-I270 HydrophobicContact CB-CG2 3.95Å; P267-I270 HydrophobicContact CG-CG2 4.18Å; P267-I270 WeakPolarHBondContact O-CG1 3.07Å; P267-I270 WeakPolarHBondContact O-CG2 3.45Å; P267-I270 PolarHBondContact O-N 2.98Å
268	P	86.2	Confident	91.4	Very high	83 Å²	83	50 Å²	50	54%	0.539	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18	-169.3	27.1	-36.1	0	0	0	114.2	D290	P268-D290 WeakPolarHBondContact CA-O 3.45Å; P268-D290 VanDerWaalsContact CB-O 3.28Å; P268-D290 WeakPolarHBondContact CB-O 3.41Å
269	D	85.1	Confident	91.6	Very high	76 Å²	76	49 Å²	49	41%	0.406	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	8.1	-177.1	62.9	-32	0	0	0	114	Q250 P267	Q250-D269 PolarHBondContact NE2-OD2 3.2Å; Q250-D269 PolarHBondContact OE1-O 3.36Å; Q250-D269 PolarHBondContact OE1-OD1 2.89Å; Q250-D269 PolarHBondContact OE1-OD2 2.92Å; Q250-D269 VanDerWaalsContact OE1-OD2 3.06Å; P267-D269 PolarHBondContact O-N 2.71Å
270	I	90.3	Very high	91.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.			trans	-64.8	138.9	175	65.4	162.3	0	0	0	111	L252 I266 P267 L273 V291 E293 L294	L252-I270 HydrophobicContact CB-CD1 4.34Å; L252-I270 HydrophobicContact CB-CG2 4.23Å; I266-I270 HydrophobicContact CG2-CD1 3.25Å; I266-I270 HydrophobicContact CG2-CG1 3.98Å; P267-I270 HydrophobicContact CB-CG2 3.95Å; P267-I270 HydrophobicContact CG-CG2 4.18Å; P267-I270 WeakPolarHBondContact O-CG1 3.07Å; P267-I270 WeakPolarHBondContact O-CG2 3.45Å; P267-I270 PolarHBondContact O-N 2.98Å; I270-L273 HydrophobicContact CD1-CB 3.81Å; I270-L273 HydrophobicContact CD1-CD1 4.13Å; I270-L273 HydrophobicContact CD1-CD2 4.16Å; I270-L273 HydrophobicContact CD1-CG 4.26Å; I270-V291 HydrophobicContact CD1-CG1 4.3Å; I270-V291 HydrophobicContact CG1-CB 4.41Å; I270-V291 HydrophobicContact CG1-CG1 4.12Å; I270-E293 CarbonylContact O-C 3.44Å; I270-L294 HydrophobicContact CD1-CD1 3.82Å; I270-L294 HydrophobicContact CG1-CD1 3.97Å; I270-L294 WeakPolarHBondContact O-CA 3.47Å; I270-L294 PolarHBondContact O-N 3.09Å
271	V	92.9	Very high	91.9	Very high	37 Å²	37	45.3 Å²	45.3	22%	0.224	23%	0.229	C	C	.	.	S	Bend	trans	-103.2	-29.9	179.1	176.7	0	0	0	0	110.6	I249 Q250 K295 K296	I249-V271 HydrophobicContact CG2-CB 3.53Å; I249-V271 HydrophobicContact CG2-CG1 3.5Å; I249-V271 VanDerWaalsContact CG2-CG1 3.5Å; I249-V271 HydrophobicContact CG2-CG2 4.37Å; Q250-V271 HydrophobicContact CB-CG2 4.42Å; Q250-V271 PolarHBondContact O-N 3.33Å; V271-K295 HydrophobicContact CG1-CB 3.95Å; V271-K295 HydrophobicContact CG1-CD 3.9Å; V271-K295 HydrophobicContact CG1-CG 3.99Å; V271-K295 PolarHBondContact O-N 3.17Å; V271-K296 PolarHBondContact O-N 3.18Å
272	K	96.1	Very high	92.1	Very high	74 Å²	74	44.3 Å²	44.3	32%	0.322	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.4	175.9	-179.5	180	173.1	-170.8	0	111	Q250 T251 L252 K296	Q250-K272 PolarHBondContact O-N 3.45Å; T251-K272 CarbonylContact C-O 3.5Å; T251-K272 VanDerWaalsContact CA-O 3.22Å; T251-K272 WeakPolarHBondContact CA-O 3.28Å; T251-K272 HydrophobicContact CG2-CB 3.95Å; T251-K272 HydrophobicContact CG2-CD 3.75Å; T251-K272 HydrophobicContact CG2-CG 3.82Å; L252-K272 PolarHBondContact N-O 3.32Å; K272-K296 CarbonylContact C-O 3.54Å; K272-K296 VanDerWaalsContact CA-O 3.3Å; K272-K296 WeakPolarHBondContact CA-O 3.49Å; K272-K296 HydrophobicContact CB-CB 4.08Å; K272-K296 HydrophobicContact CD-CD 4.48Å; K272-K296 HydrophobicContact CG-CB 3.89Å
273	L	96.6	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.2	174.4	-178.1	53.3	0	0	0	108.9	L252 I266 I270 L275 F288 L294 K296 L297 N298	L252-L273 HydrophobicContact CB-CD1 3.88Å; L252-L273 HydrophobicContact CD2-CD1 3.89Å; L252-L273 HydrophobicContact CG-CD1 4.13Å; I266-L273 HydrophobicContact CD1-CD2 3.91Å; I270-L273 HydrophobicContact CD1-CB 3.81Å; I270-L273 HydrophobicContact CD1-CD1 4.13Å; I270-L273 HydrophobicContact CD1-CD2 4.16Å; I270-L273 HydrophobicContact CD1-CG 4.26Å; L273-L275 HydrophobicContact CD1-CD1 4.4Å; L273-L275 HydrophobicContact CD1-CG 4.1Å; L273-L275 HydrophobicContact CD2-CD1 3.77Å; L273-L275 HydrophobicContact CD2-CG 4.34Å; L273-L275 HydrophobicContact CG-CD1 3.94Å; L273-L275 HydrophobicContact CG-CG 3.98Å; L273-F288 HydrophobicContact CD2-CD1 4.24Å; L273-F288 HydrophobicContact CD2-CE1 3.8Å; L273-L294 HydrophobicContact CB-CD1 3.65Å; L273-L294 HydrophobicContact CB-CD2 4.23Å; L273-L294 HydrophobicContact CD2-CD2 4.48Å; L273-K296 PolarHBondContact N-O 3.05Å; L273-L297 HydrophobicContact CB-CD1 3.91Å; L273-L297 HydrophobicContact CD2-CD1 3.85Å; L273-L297 HydrophobicContact CG-CD1 3.92Å; L273-N298 PolarHBondContact O-N 2.84Å
274	D	97.1	Very high	92.3	Very high	15 Å²	15	48.5 Å²	48.5	8%	0.08	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	102	174.5	-161.3	-32.5	0	0	0	110.4	L252 C254 K255 S276 N298	L252-D274 PolarHBondContact O-N 3.19Å; C254-D274 CarbonylContact C-O 3.6Å; C254-D274 VanDerWaalsContact CA-O 3.3Å; C254-D274 WeakPolarHBondContact CA-O 3.26Å; C254-D274 VanDerWaalsContact CB-O 3.3Å; C254-D274 WeakPolarHBondContact CB-O 3.27Å; C254-D274 PolarHBondContact N-O 3.2Å; K255-D274 PolarHBondContact N-O 3.13Å; D274-S276 WeakPolarHBondContact OD1-CB 3.29Å; D274-S276 PolarHBondContact OD1-N 3.13Å; D274-S276 PolarHBondContact OD1-OG 3.47Å; D274-N298 PolarHBondContact OD1-ND2 2.7Å; D274-N298 PolarHBondContact OD2-ND2 3.12Å
275	L	96.9	Very high	92.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.			trans	-104.2	16.3	174.7	-73.9	165	0	0	0	111.5	C254 L259 V262 P263 L273 N278 I280 F288 L297 N298 L299 N302	C254-L275 HydrophobicContact CB-CD2 3.54Å; C254-L275 HydrophobicContact CB-CG 4.37Å; L259-L275 HydrophobicContact CD1-CD2 3.85Å; V262-L275 HydrophobicContact CG1-CD1 4.25Å; V262-L275 HydrophobicContact CG2-CD1 4.29Å; P263-L275 HydrophobicContact CG-CD2 4.15Å; L273-L275 HydrophobicContact CD1-CD1 4.4Å; L273-L275 HydrophobicContact CD1-CG 4.1Å; L273-L275 HydrophobicContact CD2-CD1 3.77Å; L273-L275 HydrophobicContact CD2-CG 4.34Å; L273-L275 HydrophobicContact CG-CD1 3.94Å; L273-L275 HydrophobicContact CG-CG 3.98Å; L275-N278 PolarHBondContact O-ND2 3.22Å; L275-I280 HydrophobicContact CB-CD1 4.25Å; L275-I280 HydrophobicContact CD1-CD1 4.46Å; L275-I280 HydrophobicContact CD2-CD1 4.27Å; L275-F288 HydrophobicContact CD1-CE1 4.18Å; L275-F288 HydrophobicContact CD1-CZ 4.37Å; L275-L297 HydrophobicContact CD1-CD1 4.46Å; L275-N298 CarbonylContact C-O 3.45Å; L275-N298 WeakPolarHBondContact CA-O 3.47Å; L275-N298 PolarHBondContact N-O 3.47Å; L275-L299 HydrophobicContact CB-CD2 3.84Å; L275-L299 HydrophobicContact CD1-CD2 3.84Å; L275-N302 PolarHBondContact O-ND2 3.46Å; L275-N302 PolarHBondContact O-OD1 2.99Å
276	S	97.7	Very high	92.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.231	C	C	.	.			trans	-68	156.9	-173.4	64.8	0	0	0	0	113.8	K255 R256 D274 N278 N298 S300	K255-S276 VanDerWaalsContact CA-O 3.32Å; K255-S276 WeakPolarHBondContact CA-O 3.44Å; R256-S276 PolarHBondContact N-O 2.81Å; D274-S276 WeakPolarHBondContact OD1-CB 3.29Å; D274-S276 PolarHBondContact OD1-N 3.13Å; D274-S276 PolarHBondContact OD1-OG 3.47Å; S276-N278 VanDerWaalsContact C-N 3.28Å; S276-N278 PolarHBondContact O-N 3.41Å; S276-N278 PolarHBondContact O-ND2 3.37Å; S276-N298 PolarHBondContact N-O 3.22Å; S276-S300 CarbonylContact C-O 3.57Å; S276-S300 WeakPolarHBondContact CA-O 3.26Å; S276-S300 WeakPolarHBondContact CB-O 3.38Å; S276-S300 WeakPolarHBondContact CB-OG 2.99Å
277	Y	96.9	Very high	92.7	Very high	110 Å²	110	47.8 Å²	47.8	43%	0.431	24%	0.235	S	C	.	.	S	Bend	trans	56.4	39.9	178.7	-60.1	-92	0	0	0	113.3	K255 R256 S300 S301	K255-Y277 HydrophobicContact CD-CD2 4.25Å; K255-Y277 VanDerWaalsContact CE-CD2 3.4Å; K255-Y277 HydrophobicContact CG-CD2 4.22Å; R256-Y277 WeakPolarHBondContact CA-O 3.49Å; R256-Y277 HydrophobicContact CG-CG 4.26Å; Y277-S300 PolarHBondContact N-O 3.41Å; Y277-S301 WeakPolarHBondContact CA-O 3.38Å; Y277-S301 PolarHBondContact N-O 2.79Å
278	N	95.9	Very high	93	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.059	23%	0.226	C	C	.	.	S	Bend	trans	-108.6	-160.1	169.9	-72.1	-63.6	0	0	0	110	C254 K257 E258 L259 L275 S276 I280 N302	C254-N278 PolarHBondContact O-ND2 3Å; K257-N278 WeakPolarHBondContact CA-OD1 3.46Å; K257-N278 PolarHBondContact N-OD1 2.82Å; E258-N278 PolarHBondContact N-OD1 3.06Å; L259-N278 HydrophobicContact CB-CB 4.01Å; L259-N278 HydrophobicContact CG-CB 4.49Å; L259-N278 PolarHBondContact N-OD1 2.89Å; L259-N278 VanDerWaalsContact N-OD1 3.16Å; L275-N278 PolarHBondContact O-ND2 3.22Å; S276-N278 VanDerWaalsContact C-N 3.28Å; S276-N278 PolarHBondContact O-N 3.41Å; S276-N278 PolarHBondContact O-ND2 3.37Å; N278-I280 HydrophobicContact CB-CD1 4.49Å; N278-I280 HydrophobicContact CB-CG1 4.26Å; N278-N302 VanDerWaalsContact CA-OD1 3.29Å; N278-N302 WeakPolarHBondContact CA-OD1 3.2Å; N278-N302 WeakPolarHBondContact CB-OD1 3.33Å; N278-N302 PolarHBondContact N-OD1 2.89Å
279	K	95.8	Very high	93.1	Very high	107 Å²	107	45.9 Å²	45.9	47%	0.465	22%	0.216	S	C	.	.			trans	-125.9	34.5	-176.5	-62.1	174.9	-178.4	166.9	0	110.3	E258 L259 K260 N281 N302	E258-K279 HydrophobicContact CB-CD 4.44Å; E258-K279 IonicContact OE2-NZ 3.53Å; E258-K279 PolarHBondContact OE2-NZ 3.25Å; L259-K279 CarbonylContact O-C 3.56Å; L259-K279 VanDerWaalsContact O-CA 3.26Å; L259-K279 WeakPolarHBondContact O-CA 3.38Å; L259-K279 PolarHBondContact O-N 2.96Å; K260-K279 WeakPolarHBondContact CA-O 3.2Å; K260-K279 HydrophobicContact CG-CB 4.45Å; K279-N281 PolarHBondContact O-N 2.92Å; K279-N302 CarbonylContact C-O 3.56Å
280	I	95.8	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.			trans	-77.8	104.8	-179.2	-55.4	173.5	0	0	0	107.7	L259 V262 L275 N278 L283 L299 N302 I304	L259-I280 HydrophobicContact CB-CG1 4.47Å; L259-I280 PolarHBondContact O-N 3.14Å; V262-I280 HydrophobicContact CG2-CD1 4.44Å; L275-I280 HydrophobicContact CB-CD1 4.25Å; L275-I280 HydrophobicContact CD1-CD1 4.46Å; L275-I280 HydrophobicContact CD2-CD1 4.27Å; N278-I280 HydrophobicContact CB-CD1 4.49Å; N278-I280 HydrophobicContact CB-CG1 4.26Å; I280-L283 HydrophobicContact CG2-CD2 3.94Å; I280-L299 HydrophobicContact CD1-CD2 4.44Å; I280-N302 HydrophobicContact CB-CB 4.16Å; I280-N302 WeakPolarHBondContact CB-OD1 3.35Å; I280-N302 WeakPolarHBondContact CG1-OD1 3.44Å; I280-N302 PolarHBondContact N-O 3.42Å; I280-N302 PolarHBondContact N-OD1 2.88Å; I280-N302 CarbonylContact O-C 3.47Å; I280-I304 WeakPolarHBondContact O-CG1 3.46Å; I280-I304 PolarHBondContact O-N 2.95Å
281	N	93.9	Very high	93	Very high	79 Å²	79	48.2 Å²	48.2	42%	0.422	23%	0.229	S	C	.	.			trans	-89.5	-19.1	-173.7	65.9	-10.3	0	0	0	114.3	K279 I304 E305	K279-N281 PolarHBondContact O-N 2.92Å; N281-I304 WeakPolarHBondContact O-CA 3.34Å; N281-E305 PolarHBondContact O-N 3Å
282	Q	94.2	Very high	92.8	Very high	76 Å²	76	50.8 Å²	50.8	36%	0.355	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	147.5	178.8	72.7	-162.1	-74.9	0	0	109.6	R284 F306	Q282-R284 HydrophobicContact CG-CG 4.39Å; Q282-F306 VanDerWaalsContact CA-O 3.24Å; Q282-F306 WeakPolarHBondContact CA-O 3.29Å
283	L	95.5	Very high	92.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.4	168.1	-58.5	178.6	0	0	0	109.5	V262 I280 E287 F288 L299 I304 F306 I307 D308 A311 F312	V262-L283 HydrophobicContact CG2-CD2 3.91Å; I280-L283 HydrophobicContact CG2-CD2 3.94Å; L283-E287 VanDerWaalsContact CA-OE2 3.25Å; L283-E287 WeakPolarHBondContact CA-OE2 3.49Å; L283-F288 HydrophobicContact CD1-CE2 4.44Å; L283-F288 HydrophobicContact CD2-CE2 4.44Å; L283-L299 HydrophobicContact CD1-CD1 3.79Å; L283-L299 HydrophobicContact CD2-CD1 4.43Å; L283-L299 HydrophobicContact CD2-CD2 4.29Å; L283-I304 HydrophobicContact CD1-CD1 4.44Å; L283-I304 HydrophobicContact CD2-CD1 4.44Å; L283-I304 HydrophobicContact CG-CD1 4.36Å; L283-F306 PolarHBondContact N-O 3.17Å; L283-I307 HydrophobicContact CB-CG1 4.47Å; L283-I307 HydrophobicContact CB-CG2 4.2Å; L283-I307 HydrophobicContact CD1-CD1 4.2Å; L283-I307 HydrophobicContact CD1-CG1 3.96Å; L283-I307 HydrophobicContact CD1-CG2 4.07Å; L283-I307 HydrophobicContact CG-CG1 4.3Å; L283-D308 WeakPolarHBondContact O-CB 3.42Å; L283-D308 PolarHBondContact O-N 3.07Å; L283-A311 HydrophobicContact CB-CB 3.8Å; L283-F312 HydrophobicContact CD1-CE1 3.67Å; L283-F312 HydrophobicContact CD1-CZ 3.61Å
284	R	91.6	Very high	92.4	Very high	98 Å²	98	52.1 Å²	52.1	37%	0.37	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-93.1	164	-175.1	-59.8	171.9	177.5	-149.3	-15.6	111.1	K261 Q282 K286 E287 A311	K261-R284 VanDerWaalsContact CE-NH2 3.33Å; K261-R284 VanDerWaalsContact NZ-NH1 3.13Å; Q282-R284 HydrophobicContact CG-CG 4.39Å; R284-K286 PolarHBondContact O-N 3.39Å; R284-E287 HydrophobicContact CB-CG 3.85Å; R284-E287 WeakPolarHBondContact CB-OE1 3.4Å; R284-E287 WeakPolarHBondContact CD-OE1 3.41Å; R284-E287 WeakPolarHBondContact CG-OE1 3.34Å; R284-E287 PolarHBondContact N-OE1 2.94Å; R284-E287 PolarHBondContact N-OE2 3.06Å; R284-E287 WeakPolarHBondContact O-CG 3.18Å; R284-A311 VanDerWaalsContact O-CA 3.32Å; R284-A311 WeakPolarHBondContact O-CA 3.47Å; R284-A311 WeakPolarHBondContact O-CB 3.35Å
285	P	90.3	Very high	92.4	Very high	69 Å²	69	55 Å²	55	45%	0.448	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	135.6	172.1	-29	33.3	0	0	0	112.6	E287 D308 T310	P285-E287 PolarHBondContact O-N 2.73Å; P285-E287 VanDerWaalsContact O-N 3.13Å; P285-D308 HydrophobicContact CG-CB 4.27Å; P285-D308 WeakPolarHBondContact CG-OD2 3.26Å; P285-T310 WeakPolarHBondContact CA-OG1 3.16Å; P285-T310 VanDerWaalsContact CB-OG1 3.28Å; P285-T310 WeakPolarHBondContact CB-OG1 3.33Å
286	K	84.9	Confident	92.5	Very high	98 Å²	98	58.2 Å²	58.2	43%	0.426	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	21.4	168.4	-65	159.7	160.9	-96.9	0	115.6	R284 F288 E289 T310 L313	R284-K286 PolarHBondContact O-N 3.39Å; K286-F288 PolarHBondContact O-N 3.06Å; K286-F288 VanDerWaalsContact O-N 3.13Å; K286-E289 HydrophobicContact CB-CB 3.99Å; K286-E289 WeakPolarHBondContact CB-OE2 3.46Å; K286-E289 WeakPolarHBondContact CD-OE2 3.42Å; K286-E289 WeakPolarHBondContact CG-OE2 3.49Å; K286-E289 VanDerWaalsContact NZ-CD 3.31Å; K286-E289 IonicContact NZ-OE1 2.8Å; K286-E289 PolarHBondContact NZ-OE1 3.1Å; K286-E289 IonicContact NZ-OE2 3.16Å; K286-E289 PolarHBondContact NZ-OE2 2.8Å; K286-E289 VanDerWaalsContact NZ-OE2 3.12Å; K286-E289 WeakPolarHBondContact O-CB 3.44Å; K286-E289 PolarHBondContact O-N 2.98Å; K286-T310 PolarHBondContact N-O 3.47Å; K286-L313 HydrophobicContact CG-CD2 4.11Å
287	E	87.8	Confident	92.5	Very high	38 Å²	38	58.4 Å²	58.4	18%	0.178	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20	179.7	-81.5	-176.3	160.2	0	0	114	V262 L283 R284 P285	V262-E287 HydrophobicContact CB-CB 4.32Å; V262-E287 HydrophobicContact CB-CG 4.43Å; V262-E287 HydrophobicContact CG1-CB 4.49Å; V262-E287 HydrophobicContact CG2-CB 4.3Å; V262-E287 VanDerWaalsContact CG2-OE2 3.32Å; V262-E287 WeakPolarHBondContact CG2-OE2 3.49Å; L283-E287 VanDerWaalsContact CA-OE2 3.25Å; L283-E287 WeakPolarHBondContact CA-OE2 3.49Å; R284-E287 HydrophobicContact CB-CG 3.85Å; R284-E287 WeakPolarHBondContact CB-OE1 3.4Å; R284-E287 WeakPolarHBondContact CD-OE1 3.41Å; R284-E287 WeakPolarHBondContact CG-OE1 3.34Å; R284-E287 PolarHBondContact N-OE1 2.94Å; R284-E287 PolarHBondContact N-OE2 3.06Å; R284-E287 WeakPolarHBondContact O-CG 3.18Å; P285-E287 PolarHBondContact O-N 2.73Å; P285-E287 VanDerWaalsContact O-N 3.13Å
288	F	91.6	Very high	92.5	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	20	178.3	-55.8	-72.6	0	0	0	113	V262 L273 L275 L283 K286 D290 V291 L297 L299 A311 F312 L315	V262-F288 HydrophobicContact CG1-CD1 4.41Å; V262-F288 HydrophobicContact CG1-CE1 3.75Å; V262-F288 HydrophobicContact CG1-CZ 4.13Å; V262-F288 HydrophobicContact CG2-CE1 4.21Å; V262-F288 HydrophobicContact CG2-CE2 4.42Å; V262-F288 HydrophobicContact CG2-CZ 3.72Å; L273-F288 HydrophobicContact CD2-CD1 4.24Å; L273-F288 HydrophobicContact CD2-CE1 3.8Å; L275-F288 HydrophobicContact CD1-CE1 4.18Å; L275-F288 HydrophobicContact CD1-CZ 4.37Å; L283-F288 HydrophobicContact CD1-CE2 4.44Å; L283-F288 HydrophobicContact CD2-CE2 4.44Å; K286-F288 PolarHBondContact O-N 3.06Å; K286-F288 VanDerWaalsContact O-N 3.13Å; F288-D290 PolarHBondContact O-N 3.08Å; F288-V291 HydrophobicContact CB-CG2 3.73Å; F288-V291 HydrophobicContact CD1-CG2 4.13Å; F288-V291 HydrophobicContact CG-CG2 4.43Å; F288-V291 VanDerWaalsContact O-CG2 3.26Å; F288-V291 WeakPolarHBondContact O-CG2 3.49Å; F288-V291 PolarHBondContact O-N 3.1Å; F288-L297 HydrophobicContact CE1-CD1 4.22Å; F288-L297 HydrophobicContact CE1-CD2 4.26Å; F288-L297 HydrophobicContact CE2-CD2 4.16Å; F288-L297 HydrophobicContact CZ-CD1 4.38Å; F288-L297 HydrophobicContact CZ-CD2 4.01Å; F288-L299 HydrophobicContact CZ-CD1 4.33Å; F288-A311 WeakPolarHBondContact CD2-O 3.25Å; F288-F312 AromaticContact CD2-CD1 3.95Å; F288-F312 HydrophobicContact CD2-CD1 3.95Å; F288-F312 HydrophobicContact CD2-CE1 4.36Å; F288-F312 HydrophobicContact CE2-CD1 4.08Å; F288-F312 HydrophobicContact CE2-CE1 4.01Å; F288-L315 HydrophobicContact CB-CD1 3.97Å; F288-L315 HydrophobicContact CB-CD2 3.76Å; F288-L315 HydrophobicContact CB-CG 3.82Å; F288-L315 HydrophobicContact CD2-CD1 4.14Å; F288-L315 HydrophobicContact CG-CD1 4.09Å; F288-L315 HydrophobicContact CG-CD2 4.47Å; F288-L315 HydrophobicContact CG-CG 4.48Å
289	E	87.4	Confident	92.7	Very high	72 Å²	72	54 Å²	54	34%	0.336	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.6	-173.8	-176.7	165.2	-145.3	0	0	112.3	K286 H292	K286-E289 HydrophobicContact CB-CB 3.99Å; K286-E289 WeakPolarHBondContact CB-OE2 3.46Å; K286-E289 WeakPolarHBondContact CD-OE2 3.42Å; K286-E289 WeakPolarHBondContact CG-OE2 3.49Å; K286-E289 VanDerWaalsContact NZ-CD 3.31Å; K286-E289 IonicContact NZ-OE1 2.8Å; K286-E289 PolarHBondContact NZ-OE1 3.1Å; K286-E289 IonicContact NZ-OE2 3.16Å; K286-E289 PolarHBondContact NZ-OE2 2.8Å; K286-E289 VanDerWaalsContact NZ-OE2 3.12Å; K286-E289 WeakPolarHBondContact O-CB 3.44Å; K286-E289 PolarHBondContact O-N 2.98Å; E289-H292 PolarHBondContact O-CE1 3.3Å; E289-H292 PolarHBondContact O-ND1 3.15Å; E289-H292 PolarHBondContact O-NE2 3.21Å
290	D	83.4	Confident	92.8	Very high	122 Å²	122	49.3 Å²	49.3	65%	0.652	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-6.2	-174.5	-63.1	-44.9	0	0	0	114.8	P268 F288	P268-D290 WeakPolarHBondContact CA-O 3.45Å; P268-D290 VanDerWaalsContact CB-O 3.28Å; P268-D290 WeakPolarHBondContact CB-O 3.41Å; F288-D290 PolarHBondContact O-N 3.08Å
291	V	90.8	Very high	92.9	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.018	24%	0.243	C	C	.	.			trans	-108.2	56.4	-170.9	-67.6	0	0	0	0	113.5	I266 I270 F288 E293 L294 L315	I266-V291 HydrophobicContact CB-CG1 3.8Å; I266-V291 HydrophobicContact CG2-CG1 3.5Å; I266-V291 VanDerWaalsContact CG2-CG1 3.5Å; I270-V291 HydrophobicContact CD1-CG1 4.3Å; I270-V291 HydrophobicContact CG1-CB 4.41Å; I270-V291 HydrophobicContact CG1-CG1 4.12Å; F288-V291 HydrophobicContact CB-CG2 3.73Å; F288-V291 HydrophobicContact CD1-CG2 4.13Å; F288-V291 HydrophobicContact CG-CG2 4.43Å; F288-V291 VanDerWaalsContact O-CG2 3.26Å; F288-V291 WeakPolarHBondContact O-CG2 3.49Å; F288-V291 PolarHBondContact O-N 3.1Å; V291-E293 VanDerWaalsContact C-N 3.28Å; V291-E293 PolarHBondContact O-N 2.91Å; V291-L294 HydrophobicContact CB-CB 4.42Å; V291-L294 HydrophobicContact CG2-CB 4.5Å; V291-L294 HydrophobicContact CG2-CD2 4.35Å; V291-L294 VanDerWaalsContact O-CB 3.22Å; V291-L294 WeakPolarHBondContact O-CB 3.11Å; V291-L294 PolarHBondContact O-N 3.08Å; V291-L315 HydrophobicContact CG2-CD2 3.9Å
292	H	88.1	Confident	93	Very high	91 Å²	91	46.8 Å²	46.8	42%	0.421	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.1	-174	-56.4	-56.4	0	0	0	115.9	E289 L294 G314 H317	E289-H292 PolarHBondContact O-CE1 3.3Å; E289-H292 PolarHBondContact O-ND1 3.15Å; E289-H292 PolarHBondContact O-NE2 3.21Å; H292-L294 VanDerWaalsContact C-N 3.29Å; H292-G314 PolarHBondContact ND1-O 2.97Å; H292-H317 PolarHBondContact O-ND1 3.26Å
293	E	90.2	Very high	93.2	Very high	103 Å²	103	44.5 Å²	44.5	48%	0.481	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-1.5	-179.6	-64	-64.6	145	0	0	112.9	I270 V291 K295	I270-E293 CarbonylContact O-C 3.44Å; V291-E293 VanDerWaalsContact C-N 3.28Å; V291-E293 PolarHBondContact O-N 2.91Å; E293-K295 PolarHBondContact O-N 2.72Å
294	L	95.6	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.			trans	-65.6	123	-176.5	-172.1	70.6	0	0	0	110.9	I270 L273 V291 H292 L297 L315 H317 L318	I270-L294 HydrophobicContact CD1-CD1 3.82Å; I270-L294 HydrophobicContact CG1-CD1 3.97Å; I270-L294 WeakPolarHBondContact O-CA 3.47Å; I270-L294 PolarHBondContact O-N 3.09Å; L273-L294 HydrophobicContact CB-CD1 3.65Å; L273-L294 HydrophobicContact CB-CD2 4.23Å; L273-L294 HydrophobicContact CD2-CD2 4.48Å; V291-L294 HydrophobicContact CB-CB 4.42Å; V291-L294 HydrophobicContact CG2-CB 4.5Å; V291-L294 HydrophobicContact CG2-CD2 4.35Å; V291-L294 VanDerWaalsContact O-CB 3.22Å; V291-L294 WeakPolarHBondContact O-CB 3.11Å; V291-L294 PolarHBondContact O-N 3.08Å; H292-L294 VanDerWaalsContact C-N 3.29Å; L294-L297 HydrophobicContact CD2-CB 4.01Å; L294-L297 HydrophobicContact CD2-CD1 4.26Å; L294-L297 HydrophobicContact CD2-CD2 4.35Å; L294-L297 HydrophobicContact CD2-CG 4.44Å; L294-L315 HydrophobicContact CB-CD2 3.97Å; L294-L315 HydrophobicContact CD2-CD2 3.73Å; L294-L315 HydrophobicContact CG-CD2 4.41Å; L294-H317 CarbonylContact O-C 3.18Å; L294-L318 HydrophobicContact CD2-CD1 4.16Å; L294-L318 HydrophobicContact CG-CD1 4.05Å; L294-L318 WeakPolarHBondContact O-CA 3.41Å; L294-L318 PolarHBondContact O-N 2.94Å
295	K	96.6	Very high	93.5	Very high	76 Å²	76	46.2 Å²	46.2	33%	0.33	23%	0.234	S	C	.	.			trans	-106.2	-28.6	178.5	-65	-172.6	167.9	-131.3	0	113.4	V271 E293 E319 E320	V271-K295 HydrophobicContact CG1-CB 3.95Å; V271-K295 HydrophobicContact CG1-CD 3.9Å; V271-K295 HydrophobicContact CG1-CG 3.99Å; V271-K295 PolarHBondContact O-N 3.17Å; E293-K295 PolarHBondContact O-N 2.72Å; K295-E319 HydrophobicContact CB-CG 4.4Å; K295-E319 IonicContact NZ-OE1 3.4Å; K295-E319 PolarHBondContact NZ-OE1 3.03Å; K295-E319 WeakPolarHBondContact O-CA 3.4Å; K295-E319 PolarHBondContact O-N 3.28Å; K295-E320 PolarHBondContact O-N 2.94Å
296	K	98	Very high	93.6	Very high	67 Å²	67	47.1 Å²	47.1	29%	0.291	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	114.3	-173.8	-59.2	-176.5	177.5	-119.3	0	110.3	V271 K272 L273 E320	V271-K296 PolarHBondContact O-N 3.18Å; K272-K296 CarbonylContact C-O 3.54Å; K272-K296 VanDerWaalsContact CA-O 3.3Å; K272-K296 WeakPolarHBondContact CA-O 3.49Å; K272-K296 HydrophobicContact CB-CB 4.08Å; K272-K296 HydrophobicContact CD-CD 4.48Å; K272-K296 HydrophobicContact CG-CB 3.89Å; L273-K296 PolarHBondContact N-O 3.05Å; K296-E320 WeakPolarHBondContact CA-O 3.49Å; K296-E320 HydrophobicContact CB-CB 4.44Å; K296-E320 WeakPolarHBondContact CD-OE2 3.43Å; K296-E320 WeakPolarHBondContact CE-OE1 3.46Å; K296-E320 WeakPolarHBondContact CE-OE2 3.3Å; K296-E320 HydrophobicContact CG-CB 4.11Å; K296-E320 HydrophobicContact CG-CG 4.22Å; K296-E320 IonicContact NZ-OE1 2.73Å; K296-E320 PolarHBondContact NZ-OE1 3.07Å; K296-E320 IonicContact NZ-OE2 3.02Å; K296-E320 PolarHBondContact NZ-OE2 3.15Å
297	L	98.1	Very high	94.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.5	178.2	178.7	54.1	0	0	0	110	L273 L275 F288 L294 L299 F312 L315 L318 E320 L321 D322	L273-L297 HydrophobicContact CB-CD1 3.91Å; L273-L297 HydrophobicContact CD2-CD1 3.85Å; L273-L297 HydrophobicContact CG-CD1 3.92Å; L275-L297 HydrophobicContact CD1-CD1 4.46Å; F288-L297 HydrophobicContact CE1-CD1 4.22Å; F288-L297 HydrophobicContact CE1-CD2 4.26Å; F288-L297 HydrophobicContact CE2-CD2 4.16Å; F288-L297 HydrophobicContact CZ-CD1 4.38Å; F288-L297 HydrophobicContact CZ-CD2 4.01Å; L294-L297 HydrophobicContact CD2-CB 4.01Å; L294-L297 HydrophobicContact CD2-CD1 4.26Å; L294-L297 HydrophobicContact CD2-CD2 4.35Å; L294-L297 HydrophobicContact CD2-CG 4.44Å; L297-L299 HydrophobicContact CD1-CD1 4.21Å; L297-L299 HydrophobicContact CD1-CG 4.01Å; L297-L299 HydrophobicContact CD2-CD1 3.73Å; L297-L299 HydrophobicContact CD2-CG 4.42Å; L297-L299 HydrophobicContact CG-CD1 3.85Å; L297-L299 HydrophobicContact CG-CG 4.03Å; L297-F312 HydrophobicContact CD2-CD1 4.39Å; L297-F312 HydrophobicContact CD2-CE1 4.02Å; L297-L315 HydrophobicContact CD2-CD1 3.95Å; L297-L318 HydrophobicContact CB-CD1 3.76Å; L297-L318 HydrophobicContact CB-CD2 4.47Å; L297-E320 PolarHBondContact N-O 3.11Å; L297-L321 HydrophobicContact CB-CD1 4.02Å; L297-L321 HydrophobicContact CD2-CD1 3.95Å; L297-L321 HydrophobicContact CG-CD1 3.94Å; L297-L321 WeakPolarHBondContact O-CA 3.36Å; L297-D322 PolarHBondContact O-N 3.12Å
298	N	98.3	Very high	94.5	Very high	29 Å²	29	42.6 Å²	42.6	16%	0.155	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.4	175	-176.4	4.4	0	0	0	110.4	L273 D274 L275 S276 S300 D322	L273-N298 PolarHBondContact O-N 2.84Å; D274-N298 PolarHBondContact OD1-ND2 2.7Å; D274-N298 PolarHBondContact OD2-ND2 3.12Å; L275-N298 CarbonylContact C-O 3.45Å; L275-N298 WeakPolarHBondContact CA-O 3.47Å; L275-N298 PolarHBondContact N-O 3.47Å; S276-N298 PolarHBondContact N-O 3.22Å; N298-S300 WeakPolarHBondContact OD1-CB 3.42Å; N298-S300 PolarHBondContact OD1-N 2.68Å; N298-S300 PolarHBondContact OD1-OG 2.68Å; N298-D322 HydrophobicContact CB-CB 4.45Å
299	L	98.2	Very high	94.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.			trans	-116.3	16.5	177.6	-77.5	163.5	0	0	0	111.5	L275 I280 L283 F288 L297 N302 I304 F312 L321 D322 L323 N326	L275-L299 HydrophobicContact CB-CD2 3.84Å; L275-L299 HydrophobicContact CD1-CD2 3.84Å; I280-L299 HydrophobicContact CD1-CD2 4.44Å; L283-L299 HydrophobicContact CD1-CD1 3.79Å; L283-L299 HydrophobicContact CD2-CD1 4.43Å; L283-L299 HydrophobicContact CD2-CD2 4.29Å; F288-L299 HydrophobicContact CZ-CD1 4.33Å; L297-L299 HydrophobicContact CD1-CD1 4.21Å; L297-L299 HydrophobicContact CD1-CG 4.01Å; L297-L299 HydrophobicContact CD2-CD1 3.73Å; L297-L299 HydrophobicContact CD2-CG 4.42Å; L297-L299 HydrophobicContact CG-CD1 3.85Å; L297-L299 HydrophobicContact CG-CG 4.03Å; L299-N302 PolarHBondContact O-ND2 3.18Å; L299-I304 HydrophobicContact CB-CD1 3.97Å; L299-I304 HydrophobicContact CD2-CD1 4.31Å; L299-F312 HydrophobicContact CD1-CE1 4.13Å; L299-F312 HydrophobicContact CD1-CZ 4.47Å; L299-L321 HydrophobicContact CD1-CD1 4.46Å; L299-D322 CarbonylContact C-O 3.55Å; L299-D322 WeakPolarHBondContact CA-O 3.24Å; L299-D322 PolarHBondContact N-O 3.18Å; L299-L323 HydrophobicContact CB-CD2 3.9Å; L299-L323 HydrophobicContact CD1-CD2 4.08Å; L299-N326 PolarHBondContact O-ND2 3.01Å
300	S	98.3	Very high	94.6	Very high	8 Å²	8	44 Å²	44	6%	0.056	23%	0.227	C	C	.	.			trans	-64	151.6	-177.7	62.2	0	0	0	0	113.1	S276 Y277 N298 N302 D322 S324	S276-S300 CarbonylContact C-O 3.57Å; S276-S300 WeakPolarHBondContact CA-O 3.26Å; S276-S300 WeakPolarHBondContact CB-O 3.38Å; S276-S300 WeakPolarHBondContact CB-OG 2.99Å; Y277-S300 PolarHBondContact N-O 3.41Å; N298-S300 WeakPolarHBondContact OD1-CB 3.42Å; N298-S300 PolarHBondContact OD1-N 2.68Å; N298-S300 PolarHBondContact OD1-OG 2.68Å; S300-N302 PolarHBondContact O-N 3.08Å; S300-N302 PolarHBondContact O-ND2 3.47Å; S300-D322 PolarHBondContact N-O 3.3Å; S300-S324 CarbonylContact C-O 3.42Å; S300-S324 WeakPolarHBondContact CA-O 3.47Å; S300-S324 WeakPolarHBondContact CB-O 3.24Å; S300-S324 WeakPolarHBondContact CB-OG 3.46Å
301	S	98.1	Very high	95.1	Very high	19 Å²	19	38.2 Å²	38.2	13%	0.133	20%	0.196	C	C	.	.	S	Bend	trans	58.7	43.1	175.2	-49.8	0	0	0	0	114	Y277 S324 N325	Y277-S301 WeakPolarHBondContact CA-O 3.38Å; Y277-S301 PolarHBondContact N-O 2.79Å; S301-S324 PolarHBondContact N-O 3.25Å; S301-N325 WeakPolarHBondContact CA-O 3.34Å; S301-N325 PolarHBondContact N-O 2.82Å; S301-N325 PolarHBondContact OG-ND2 3.36Å
302	N	97.1	Very high	95.3	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.043	20%	0.196	C	C	.	.	S	Bend	trans	-109.3	-19.3	179.6	-92.1	-72.1	0	0	0	114.6	L275 N278 K279 I280 L299 S300 I304 N326	L275-N302 PolarHBondContact O-ND2 3.46Å; L275-N302 PolarHBondContact O-OD1 2.99Å; N278-N302 VanDerWaalsContact CA-OD1 3.29Å; N278-N302 WeakPolarHBondContact CA-OD1 3.2Å; N278-N302 WeakPolarHBondContact CB-OD1 3.33Å; N278-N302 PolarHBondContact N-OD1 2.89Å; K279-N302 CarbonylContact C-O 3.56Å; I280-N302 HydrophobicContact CB-CB 4.16Å; I280-N302 WeakPolarHBondContact CB-OD1 3.35Å; I280-N302 WeakPolarHBondContact CG1-OD1 3.44Å; I280-N302 PolarHBondContact N-O 3.42Å; I280-N302 PolarHBondContact N-OD1 2.88Å; I280-N302 CarbonylContact O-C 3.47Å; L299-N302 PolarHBondContact O-ND2 3.18Å; S300-N302 PolarHBondContact O-N 3.08Å; S300-N302 PolarHBondContact O-ND2 3.47Å; N302-I304 HydrophobicContact CB-CD1 4.12Å; N302-I304 HydrophobicContact CB-CG1 3.8Å; N302-N326 WeakPolarHBondContact CA-OD1 3.29Å; N302-N326 WeakPolarHBondContact CB-OD1 3.16Å; N302-N326 PolarHBondContact N-OD1 2.9Å
303	G	96.7	Very high	95.3	Very high	27 Å²	27	36.6 Å²	36.6	28%	0.278	19%	0.19	S	C	.	.			trans	75.7	31	-171.7	0	0	0	0	0	112.7	E305 N326	G303-E305 PolarHBondContact O-N 3.27Å; G303-N326 PolarHBondContact N-OD1 2.96Å
304	I	98.1	Very high	94.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.			trans	-64.4	124	177.6	-59.5	167.7	0	0	0	109	I280 N281 L283 L299 N302 I307 L323 N326 S327 L328	I280-I304 WeakPolarHBondContact O-CG1 3.46Å; I280-I304 PolarHBondContact O-N 2.95Å; N281-I304 WeakPolarHBondContact O-CA 3.34Å; L283-I304 HydrophobicContact CD1-CD1 4.44Å; L283-I304 HydrophobicContact CD2-CD1 4.44Å; L283-I304 HydrophobicContact CG-CD1 4.36Å; L299-I304 HydrophobicContact CB-CD1 3.97Å; L299-I304 HydrophobicContact CD2-CD1 4.31Å; N302-I304 HydrophobicContact CB-CD1 4.12Å; N302-I304 HydrophobicContact CB-CG1 3.8Å; I304-I307 HydrophobicContact CG2-CD1 4.38Å; I304-I307 HydrophobicContact CG2-CG1 3.79Å; I304-L323 HydrophobicContact CD1-CD2 4.14Å; I304-N326 HydrophobicContact CB-CB 4.18Å; I304-N326 PolarHBondContact N-OD1 2.74Å; I304-S327 CarbonylContact O-C 3.16Å; I304-S327 VanDerWaalsContact O-CA 3.27Å; I304-S327 WeakPolarHBondContact O-CA 3.31Å; I304-S327 WeakPolarHBondContact O-CB 3.27Å; I304-S327 PolarHBondContact O-N 3.04Å; I304-L328 HydrophobicContact CG2-CD2 3.96Å; I304-L328 PolarHBondContact O-N 3.28Å
305	E	95.8	Very high	94.6	Very high	135 Å²	135	32.2 Å²	32.2	63%	0.631	17%	0.172	S	C	*	.			trans	-102.4	-34.1	176.3	-69.9	174.7	-164.4	0	0	111.8	N281 G303	N281-E305 PolarHBondContact O-N 3Å; G303-E305 PolarHBondContact O-N 3.27Å
306	F	92.8	Very high	94.2	Very high	88 Å²	88	31 Å²	31	39%	0.386	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.5	-173.5	179.8	-97.2	0	0	0	111.3	Q282 L283 D308 D332	Q282-F306 VanDerWaalsContact CA-O 3.24Å; Q282-F306 WeakPolarHBondContact CA-O 3.29Å; L283-F306 PolarHBondContact N-O 3.17Å; F306-D308 HydrophobicContact CE1-CB 4.07Å; F306-D332 WeakPolarHBondContact CE2-OD2 3.3Å
307	I	96.7	Very high	93.9	Very high	7 Å²	7	31.5 Å²	31.5	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.8	174.1	-59.7	175.7	0	0	0	106.8	L283 I304 A311 F312 L323 L328 F331 V335	L283-I307 HydrophobicContact CB-CG1 4.47Å; L283-I307 HydrophobicContact CB-CG2 4.2Å; L283-I307 HydrophobicContact CD1-CD1 4.2Å; L283-I307 HydrophobicContact CD1-CG1 3.96Å; L283-I307 HydrophobicContact CD1-CG2 4.07Å; L283-I307 HydrophobicContact CG-CG1 4.3Å; I304-I307 HydrophobicContact CG2-CD1 4.38Å; I304-I307 HydrophobicContact CG2-CG1 3.79Å; I307-A311 HydrophobicContact CG2-CB 3.89Å; I307-F312 HydrophobicContact CD1-CE2 4.24Å; I307-F312 HydrophobicContact CD1-CZ 4.21Å; I307-F312 HydrophobicContact CG2-CD2 4.29Å; I307-F312 HydrophobicContact CG2-CE2 3.74Å; I307-F312 HydrophobicContact CG2-CZ 4.12Å; I307-L323 HydrophobicContact CD1-CD1 3.99Å; I307-L323 HydrophobicContact CD1-CD2 4.1Å; I307-L328 HydrophobicContact CD1-CD1 4.29Å; I307-L328 HydrophobicContact CD1-CD2 3.87Å; I307-L328 HydrophobicContact CG1-CD2 3.96Å; I307-F331 HydrophobicContact CD1-CE1 4.17Å; I307-V335 HydrophobicContact CB-CG1 4.23Å; I307-V335 HydrophobicContact CG2-CG1 3.66Å; I307-V335 HydrophobicContact CG2-CG2 4.41Å
308	D	95	Very high	93.9	Very high	35 Å²	35	31.4 Å²	31.4	19%	0.187	17%	0.174	C	C	.	.			trans	-62.1	140.9	175	-171	-83.5	0	0	0	110.9	L283 P285 F306 T310 A311	L283-D308 WeakPolarHBondContact O-CB 3.42Å; L283-D308 PolarHBondContact O-N 3.07Å; P285-D308 HydrophobicContact CG-CB 4.27Å; P285-D308 WeakPolarHBondContact CG-OD2 3.26Å; F306-D308 HydrophobicContact CE1-CB 4.07Å; D308-T310 PolarHBondContact O-N 3.47Å; D308-T310 PolarHBondContact OD1-N 3.29Å; D308-T310 PolarHBondContact OD1-OG1 2.93Å; D308-A311 HydrophobicContact CB-CB 4.22Å; D308-A311 WeakPolarHBondContact O-CB 3.18Å; D308-A311 PolarHBondContact O-N 2.85Å
309	P	91.1	Very high	93.8	Very high	46 Å²	46	32 Å²	32	30%	0.299	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-26	177.9	-29.2	36.5	0	0	0	114.6	D332	P309-D332 HydrophobicContact CG-CB 4.35Å
310	T	90.3	Very high	93.8	Very high	57 Å²	57	34.1 Å²	34.1	35%	0.35	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	10	179.7	65.9	0	0	0	0	113.2	P285 K286 D308 L313	P285-T310 WeakPolarHBondContact CA-OG1 3.16Å; P285-T310 VanDerWaalsContact CB-OG1 3.28Å; P285-T310 WeakPolarHBondContact CB-OG1 3.33Å; K286-T310 PolarHBondContact N-O 3.47Å; D308-T310 PolarHBondContact O-N 3.47Å; D308-T310 PolarHBondContact OD1-N 3.29Å; D308-T310 PolarHBondContact OD1-OG1 2.93Å; T310-L313 VanDerWaalsContact O-CB 3.26Å; T310-L313 WeakPolarHBondContact O-CB 3.29Å; T310-L313 PolarHBondContact O-N 3.36Å
311	A	93.4	Very high	93.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-42.8	-178.9	0	0	0	0	0	112.5	L283 R284 F288 I307 D308 L313	L283-A311 HydrophobicContact CB-CB 3.8Å; R284-A311 VanDerWaalsContact O-CA 3.32Å; R284-A311 WeakPolarHBondContact O-CA 3.47Å; R284-A311 WeakPolarHBondContact O-CB 3.35Å; F288-A311 WeakPolarHBondContact CD2-O 3.25Å; I307-A311 HydrophobicContact CG2-CB 3.89Å; D308-A311 HydrophobicContact CB-CB 4.22Å; D308-A311 WeakPolarHBondContact O-CB 3.18Å; D308-A311 PolarHBondContact O-N 2.85Å; A311-L313 VanDerWaalsContact C-N 3.29Å; A311-L313 PolarHBondContact O-N 2.91Å
312	F	94.2	Very high	93.8	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.018	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	9.7	180	-60.1	-49.2	0	0	0	113.8	L283 F288 L297 L299 I307 G314 L315 L321 V335 L339	L283-F312 HydrophobicContact CD1-CE1 3.67Å; L283-F312 HydrophobicContact CD1-CZ 3.61Å; F288-F312 AromaticContact CD2-CD1 3.95Å; F288-F312 HydrophobicContact CD2-CD1 3.95Å; F288-F312 HydrophobicContact CD2-CE1 4.36Å; F288-F312 HydrophobicContact CE2-CD1 4.08Å; F288-F312 HydrophobicContact CE2-CE1 4.01Å; L297-F312 HydrophobicContact CD2-CD1 4.39Å; L297-F312 HydrophobicContact CD2-CE1 4.02Å; L299-F312 HydrophobicContact CD1-CE1 4.13Å; L299-F312 HydrophobicContact CD1-CZ 4.47Å; I307-F312 HydrophobicContact CD1-CE2 4.24Å; I307-F312 HydrophobicContact CD1-CZ 4.21Å; I307-F312 HydrophobicContact CG2-CD2 4.29Å; I307-F312 HydrophobicContact CG2-CE2 3.74Å; I307-F312 HydrophobicContact CG2-CZ 4.12Å; F312-G314 PolarHBondContact O-N 3.27Å; F312-L315 HydrophobicContact CB-CD1 4.08Å; F312-L315 HydrophobicContact CD1-CD1 3.68Å; F312-L315 HydrophobicContact CG-CD1 4.28Å; F312-L315 WeakPolarHBondContact O-CB 3.15Å; F312-L315 PolarHBondContact O-N 3.14Å; F312-L315 VanDerWaalsContact O-N 3.11Å; F312-L321 HydrophobicContact CE2-CD2 4.16Å; F312-L321 HydrophobicContact CZ-CD1 4.44Å; F312-L321 HydrophobicContact CZ-CD2 4.11Å; F312-V335 HydrophobicContact CD2-CG1 4.1Å; F312-V335 WeakPolarHBondContact CD2-O 3.24Å; F312-V335 HydrophobicContact CE2-CG1 3.99Å; F312-L339 HydrophobicContact CB-CD2 4.09Å; F312-L339 HydrophobicContact CD2-CD1 4.35Å
313	L	87.9	Confident	93.9	Very high	56 Å²	56	33.9 Å²	33.9	29%	0.293	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	128.5	176.5	-176.5	66.9	0	0	0	109.8	K286 T310 A311 D338	K286-L313 HydrophobicContact CG-CD2 4.11Å; T310-L313 VanDerWaalsContact O-CB 3.26Å; T310-L313 WeakPolarHBondContact O-CB 3.29Å; T310-L313 PolarHBondContact O-N 3.36Å; A311-L313 VanDerWaalsContact C-N 3.29Å; A311-L313 PolarHBondContact O-N 2.91Å; L313-D338 WeakPolarHBondContact CD1-OD2 3.39Å
314	G	79.9	Confident	93.9	Very high	11 Å²	11	33.3 Å²	33.3	11%	0.113	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.7	-11.1	-179.8	0	0	0	0	0	115.1	H292 F312 T316	H292-G314 PolarHBondContact ND1-O 2.97Å; F312-G314 PolarHBondContact O-N 3.27Å; G314-T316 PolarHBondContact O-N 3.03Å
315	L	92.4	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.			trans	-79	49	176.4	-65.6	-174.2	0	0	0	113.2	F288 V291 L294 L297 F312 H317 L318 L339	F288-L315 HydrophobicContact CB-CD1 3.97Å; F288-L315 HydrophobicContact CB-CD2 3.76Å; F288-L315 HydrophobicContact CB-CG 3.82Å; F288-L315 HydrophobicContact CD2-CD1 4.14Å; F288-L315 HydrophobicContact CG-CD1 4.09Å; F288-L315 HydrophobicContact CG-CD2 4.47Å; F288-L315 HydrophobicContact CG-CG 4.48Å; V291-L315 HydrophobicContact CG2-CD2 3.9Å; L294-L315 HydrophobicContact CB-CD2 3.97Å; L294-L315 HydrophobicContact CD2-CD2 3.73Å; L294-L315 HydrophobicContact CG-CD2 4.41Å; L297-L315 HydrophobicContact CD2-CD1 3.95Å; F312-L315 HydrophobicContact CB-CD1 4.08Å; F312-L315 HydrophobicContact CD1-CD1 3.68Å; F312-L315 HydrophobicContact CG-CD1 4.28Å; F312-L315 WeakPolarHBondContact O-CB 3.15Å; F312-L315 PolarHBondContact O-N 3.14Å; F312-L315 VanDerWaalsContact O-N 3.11Å; L315-H317 PolarHBondContact O-N 3.38Å; L315-H317 VanDerWaalsContact O-N 3.16Å; L315-L318 HydrophobicContact CB-CB 4.16Å; L315-L318 HydrophobicContact CD1-CD2 4.11Å; L315-L318 WeakPolarHBondContact O-CB 3.27Å; L315-L318 PolarHBondContact O-N 2.82Å; L315-L339 HydrophobicContact CB-CD2 3.89Å
316	T	88	Confident	94.1	Very high	51 Å²	51	31.2 Å²	31.2	31%	0.313	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.6	-171.1	56.5	0	0	0	0	114.5	G314 F341	G314-T316 PolarHBondContact O-N 3.03Å; T316-F341 WeakPolarHBondContact O-CD2 3.02Å
317	H	92.6	Very high	94.3	Very high	77 Å²	77	29.2 Å²	29.2	36%	0.356	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	9.6	176.6	-60.3	98.5	0	0	0	113.3	H292 L294 L315 E319	H292-H317 PolarHBondContact O-ND1 3.26Å; L294-H317 CarbonylContact O-C 3.18Å; L315-H317 PolarHBondContact O-N 3.38Å; L315-H317 VanDerWaalsContact O-N 3.16Å; H317-E319 WeakPolarHBondContact O-CG 3.22Å; H317-E319 PolarHBondContact O-N 3.05Å
318	L	96.8	Very high	94.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.163	C	C	.	.			trans	-65.4	123.1	-176.3	-165.2	74.3	0	0	0	110.5	L294 L297 L315 L321 L339 F341 L342	L294-L318 HydrophobicContact CD2-CD1 4.16Å; L294-L318 HydrophobicContact CG-CD1 4.05Å; L294-L318 WeakPolarHBondContact O-CA 3.41Å; L294-L318 PolarHBondContact O-N 2.94Å; L297-L318 HydrophobicContact CB-CD1 3.76Å; L297-L318 HydrophobicContact CB-CD2 4.47Å; L315-L318 HydrophobicContact CB-CB 4.16Å; L315-L318 HydrophobicContact CD1-CD2 4.11Å; L315-L318 WeakPolarHBondContact O-CB 3.27Å; L315-L318 PolarHBondContact O-N 2.82Å; L318-L321 HydrophobicContact CD2-CB 4.02Å; L318-L321 HydrophobicContact CD2-CD1 4.4Å; L318-L321 HydrophobicContact CD2-CD2 4.41Å; L318-L339 HydrophobicContact CB-CD2 4.22Å; L318-L339 HydrophobicContact CD2-CD1 4.39Å; L318-L339 HydrophobicContact CD2-CD2 3.89Å; L318-F341 CarbonylContact O-C 3.1Å; L318-L342 HydrophobicContact CD2-CD1 4.21Å; L318-L342 HydrophobicContact CG-CD1 4.31Å; L318-L342 VanDerWaalsContact O-CA 3.26Å; L318-L342 WeakPolarHBondContact O-CA 3.46Å; L318-L342 PolarHBondContact O-N 2.8Å; L318-L342 VanDerWaalsContact O-N 3.11Å
319	E	96.7	Very high	94.4	Very high	43 Å²	43	31.3 Å²	31.3	20%	0.201	17%	0.173	C	C	.	.			trans	-105	-30.9	-179.6	-57.2	-171.9	-153.7	0	0	111.5	K295 H317 K343 L344	K295-E319 HydrophobicContact CB-CG 4.4Å; K295-E319 IonicContact NZ-OE1 3.4Å; K295-E319 PolarHBondContact NZ-OE1 3.03Å; K295-E319 WeakPolarHBondContact O-CA 3.4Å; K295-E319 PolarHBondContact O-N 3.28Å; H317-E319 WeakPolarHBondContact O-CG 3.22Å; H317-E319 PolarHBondContact O-N 3.05Å; E319-K343 HydrophobicContact CB-CD 4.4Å; E319-K343 WeakPolarHBondContact O-CA 3.13Å; E319-K343 WeakPolarHBondContact O-CB 3.21Å; E319-K343 PolarHBondContact O-N 3.05Å; E319-K343 IonicContact OE2-NZ 2.68Å; E319-K343 PolarHBondContact OE2-NZ 3.08Å; E319-L344 PolarHBondContact O-N 3.4Å
320	E	98.2	Very high	94.5	Very high	43 Å²	43	31 Å²	31	20%	0.201	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.2	-174	-54.7	-177.8	-170.9	0	0	110.8	K295 K296 L297 L344 W346	K295-E320 PolarHBondContact O-N 2.94Å; K296-E320 WeakPolarHBondContact CA-O 3.49Å; K296-E320 HydrophobicContact CB-CB 4.44Å; K296-E320 WeakPolarHBondContact CD-OE2 3.43Å; K296-E320 WeakPolarHBondContact CE-OE1 3.46Å; K296-E320 WeakPolarHBondContact CE-OE2 3.3Å; K296-E320 HydrophobicContact CG-CB 4.11Å; K296-E320 HydrophobicContact CG-CG 4.22Å; K296-E320 IonicContact NZ-OE1 2.73Å; K296-E320 PolarHBondContact NZ-OE1 3.07Å; K296-E320 IonicContact NZ-OE2 3.02Å; K296-E320 PolarHBondContact NZ-OE2 3.15Å; L297-E320 PolarHBondContact N-O 3.11Å; E320-L344 WeakPolarHBondContact CA-O 3.27Å; E320-L344 HydrophobicContact CB-CB 4.36Å; E320-L344 HydrophobicContact CG-CB 4.12Å; E320-L344 HydrophobicContact CG-CD1 3.91Å; E320-L344 HydrophobicContact CG-CG 4.21Å; E320-W346 HydrophobicContact CB-CH2 4.12Å; E320-W346 HydrophobicContact CB-CZ3 3.86Å; E320-W346 HydrophobicContact CG-CH2 4.4Å
321	L	98.3	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.5	177.7	178.5	56.4	0	0	0	110.4	L297 L299 F312 L318 L323 L339 L342 L344 L345 W346	L297-L321 HydrophobicContact CB-CD1 4.02Å; L297-L321 HydrophobicContact CD2-CD1 3.95Å; L297-L321 HydrophobicContact CG-CD1 3.94Å; L297-L321 WeakPolarHBondContact O-CA 3.36Å; L299-L321 HydrophobicContact CD1-CD1 4.46Å; F312-L321 HydrophobicContact CE2-CD2 4.16Å; F312-L321 HydrophobicContact CZ-CD1 4.44Å; F312-L321 HydrophobicContact CZ-CD2 4.11Å; L318-L321 HydrophobicContact CD2-CB 4.02Å; L318-L321 HydrophobicContact CD2-CD1 4.4Å; L318-L321 HydrophobicContact CD2-CD2 4.41Å; L321-L323 HydrophobicContact CD1-CD1 4.48Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CD2-CD1 3.88Å; L321-L323 HydrophobicContact CD2-CG 4.38Å; L321-L323 HydrophobicContact CG-CD1 4.08Å; L321-L323 HydrophobicContact CG-CG 4.05Å; L321-L339 HydrophobicContact CD2-CD1 4Å; L321-L342 HydrophobicContact CB-CD1 3.79Å; L321-L344 PolarHBondContact N-O 3.17Å; L321-L345 HydrophobicContact CB-CD1 3.98Å; L321-L345 HydrophobicContact CD2-CD1 3.91Å; L321-L345 HydrophobicContact CG-CD1 3.94Å; L321-L345 WeakPolarHBondContact O-CA 3.36Å; L321-W346 PolarHBondContact O-N 3.15Å
322	D	98.6	Very high	94.7	Very high	30 Å²	30	31.6 Å²	31.6	16%	0.16	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	109.7	175	-164.7	-16.8	0	0	0	111	L297 N298 L299 S300 S324 W346	L297-D322 PolarHBondContact O-N 3.12Å; N298-D322 HydrophobicContact CB-CB 4.45Å; L299-D322 CarbonylContact C-O 3.55Å; L299-D322 WeakPolarHBondContact CA-O 3.24Å; L299-D322 PolarHBondContact N-O 3.18Å; S300-D322 PolarHBondContact N-O 3.3Å; D322-S324 WeakPolarHBondContact OD1-CB 3.42Å; D322-S324 PolarHBondContact OD1-N 2.96Å; D322-S324 PolarHBondContact OD1-OG 3.13Å; D322-W346 HydrophobicContact CB-CB 4.38Å; D322-W346 HydrophobicContact CB-CD2 4.38Å; D322-W346 HydrophobicContact CB-CE3 3.62Å; D322-W346 HydrophobicContact CB-CZ3 4.29Å; D322-W346 WeakPolarHBondContact OD1-CB 3.15Å
323	L	98.2	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.			trans	-114	17.2	174.6	-72.5	168.6	0	0	0	111.5	L299 I304 I307 L321 N326 L328 F331 W346 L347 N350	L299-L323 HydrophobicContact CB-CD2 3.9Å; L299-L323 HydrophobicContact CD1-CD2 4.08Å; I304-L323 HydrophobicContact CD1-CD2 4.14Å; I307-L323 HydrophobicContact CD1-CD1 3.99Å; I307-L323 HydrophobicContact CD1-CD2 4.1Å; L321-L323 HydrophobicContact CD1-CD1 4.48Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CD2-CD1 3.88Å; L321-L323 HydrophobicContact CD2-CG 4.38Å; L321-L323 HydrophobicContact CG-CD1 4.08Å; L321-L323 HydrophobicContact CG-CG 4.05Å; L323-N326 PolarHBondContact O-ND2 3.17Å; L323-L328 HydrophobicContact CB-CD1 4.1Å; L323-L328 HydrophobicContact CD1-CD1 4.45Å; L323-L328 HydrophobicContact CD2-CD1 4.44Å; L323-F331 HydrophobicContact CD1-CE1 4.34Å; L323-F331 HydrophobicContact CD1-CZ 3.65Å; L323-W346 CarbonylContact C-O 3.49Å; L323-W346 WeakPolarHBondContact CA-O 3.46Å; L323-W346 PolarHBondContact N-O 2.84Å; L323-L347 HydrophobicContact CB-CD2 4.28Å; L323-L347 HydrophobicContact CD1-CD2 4.5Å; L323-N350 PolarHBondContact O-ND2 3.38Å
324	S	98.1	Very high	94.3	Very high	15 Å²	15	37.3 Å²	37.3	11%	0.105	19%	0.19	C	C	.	.			trans	-66.3	153.6	-177.5	63.4	0	0	0	0	113.1	S300 S301 D322 N326 W346 R348	S300-S324 CarbonylContact C-O 3.42Å; S300-S324 WeakPolarHBondContact CA-O 3.47Å; S300-S324 WeakPolarHBondContact CB-O 3.24Å; S300-S324 WeakPolarHBondContact CB-OG 3.46Å; S301-S324 PolarHBondContact N-O 3.25Å; D322-S324 WeakPolarHBondContact OD1-CB 3.42Å; D322-S324 PolarHBondContact OD1-N 2.96Å; D322-S324 PolarHBondContact OD1-OG 3.13Å; S324-N326 PolarHBondContact O-N 3.07Å; S324-N326 PolarHBondContact O-ND2 2.91Å; S324-W346 PolarHBondContact N-O 3.22Å; S324-R348 CarbonylContact C-O 3.43Å; S324-R348 WeakPolarHBondContact CA-O 2.87Å; S324-R348 WeakPolarHBondContact CB-O 3.22Å
325	N	97.7	Very high	95	Very high	84 Å²	84	36.9 Å²	36.9	45%	0.449	19%	0.186	S	C	.	.	S	Bend	trans	55.8	50.5	178.4	-166.3	33.3	0	0	0	112.3	S301 R348 D349	S301-N325 WeakPolarHBondContact CA-O 3.34Å; S301-N325 PolarHBondContact N-O 2.82Å; S301-N325 PolarHBondContact OG-ND2 3.36Å; N325-R348 PolarHBondContact N-O 2.78Å; N325-D349 VanDerWaalsContact CA-O 3.32Å; N325-D349 WeakPolarHBondContact CA-O 3.29Å; N325-D349 HydrophobicContact CB-CB 4.12Å
326	N	98.5	Very high	95	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.043	19%	0.186	C	C	.	.	S	Bend	trans	-120.2	-171.4	173.1	-79.8	-62.2	0	0	0	109.6	L299 N302 G303 I304 L323 S324 L328 N350 P351	L299-N326 PolarHBondContact O-ND2 3.01Å; N302-N326 WeakPolarHBondContact CA-OD1 3.29Å; N302-N326 WeakPolarHBondContact CB-OD1 3.16Å; N302-N326 PolarHBondContact N-OD1 2.9Å; G303-N326 PolarHBondContact N-OD1 2.96Å; I304-N326 HydrophobicContact CB-CB 4.18Å; I304-N326 PolarHBondContact N-OD1 2.74Å; L323-N326 PolarHBondContact O-ND2 3.17Å; S324-N326 PolarHBondContact O-N 3.07Å; S324-N326 PolarHBondContact O-ND2 2.91Å; N326-L328 HydrophobicContact CB-CD1 4.15Å; N326-L328 HydrophobicContact CB-CG 4.28Å; N326-N350 VanDerWaalsContact CA-OD1 3.23Å; N326-N350 WeakPolarHBondContact CA-OD1 3.3Å; N326-N350 WeakPolarHBondContact CB-OD1 2.94Å; N326-N350 PolarHBondContact N-OD1 2.92Å; N326-N350 PolarHBondContact O-OD1 3.28Å; N326-N350 VanDerWaalsContact O-OD1 3.06Å; N326-P351 WeakPolarHBondContact O-CD 3.24Å
327	S	97.6	Very high	94.9	Very high	45 Å²	45	39.2 Å²	39.2	32%	0.315	19%	0.193	S	C	.	.			trans	-107.9	24.9	-177.2	-59.8	0	0	0	0	112.1	I304	I304-S327 CarbonylContact O-C 3.16Å; I304-S327 VanDerWaalsContact O-CA 3.27Å; I304-S327 WeakPolarHBondContact O-CA 3.31Å; I304-S327 WeakPolarHBondContact O-CB 3.27Å; I304-S327 PolarHBondContact O-N 3.04Å
328	L	97.3	Very high	94.5	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.186	C	C	.	.			trans	-72.7	131.1	-175.6	-64.3	157.9	0	0	0	110.8	I304 I307 L323 N326 F331 N350 P351 W352	I304-L328 HydrophobicContact CG2-CD2 3.96Å; I304-L328 PolarHBondContact O-N 3.28Å; I307-L328 HydrophobicContact CD1-CD1 4.29Å; I307-L328 HydrophobicContact CD1-CD2 3.87Å; I307-L328 HydrophobicContact CG1-CD2 3.96Å; L323-L328 HydrophobicContact CB-CD1 4.1Å; L323-L328 HydrophobicContact CD1-CD1 4.45Å; L323-L328 HydrophobicContact CD2-CD1 4.44Å; N326-L328 HydrophobicContact CB-CD1 4.15Å; N326-L328 HydrophobicContact CB-CG 4.28Å; L328-F331 HydrophobicContact CD1-CE1 3.99Å; L328-F331 HydrophobicContact CD2-CE1 4.3Å; L328-N350 HydrophobicContact CB-CB 4.32Å; L328-N350 WeakPolarHBondContact CB-OD1 2.99Å; L328-N350 PolarHBondContact N-OD1 2.74Å; L328-N350 VanDerWaalsContact N-OD1 3.13Å; L328-P351 CarbonylContact O-C 3.14Å; L328-P351 VanDerWaalsContact O-CD 3.24Å; L328-P351 WeakPolarHBondContact O-CD 3.36Å; L328-W352 HydrophobicContact CB-CH2 3.72Å; L328-W352 HydrophobicContact CB-CZ2 4.43Å; L328-W352 HydrophobicContact CB-CZ3 3.9Å; L328-W352 HydrophobicContact CD1-CH2 4.28Å
329	Q	96.4	Very high	94.3	Very high	85 Å²	85	37.6 Å²	37.6	40%	0.397	19%	0.187	S	C	.	.			trans	-102.9	-30.1	177	-65.5	-177.6	38.9	0	0	112.6	P351 R353	Q329-P351 HydrophobicContact CG-CG 4.23Å; Q329-R353 HydrophobicContact CB-CB 4Å; Q329-R353 PolarHBondContact O-N 3.14Å
330	N	94.3	Very high	93.8	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.203	20%	0.204	C	C	.	.			trans	-162	176.4	177.5	60.5	74.1	0	0	0	108.6	N357 I358	N330-N357 HydrophobicContact CB-CB 3.98Å; N330-I358 HydrophobicContact CB-CD1 4.28Å
331	F	94.9	Very high	93.5	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.026	22%	0.22	C	C	.	.			trans	-113.2	134.3	165.9	-73.7	-3.5	0	0	0	109.4	I307 L323 L328 V335 L336 L347 W352 Y360 L361	I307-F331 HydrophobicContact CD1-CE1 4.17Å; L323-F331 HydrophobicContact CD1-CE1 4.34Å; L323-F331 HydrophobicContact CD1-CZ 3.65Å; L328-F331 HydrophobicContact CD1-CE1 3.99Å; L328-F331 HydrophobicContact CD2-CE1 4.3Å; F331-V335 HydrophobicContact CB-CB 4.47Å; F331-V335 HydrophobicContact CD2-CG1 4.28Å; F331-V335 HydrophobicContact CG-CG1 4.37Å; F331-L336 HydrophobicContact CD2-CD1 3.63Å; F331-L336 HydrophobicContact CD2-CD2 4.09Å; F331-L336 HydrophobicContact CD2-CG 3.72Å; F331-L336 HydrophobicContact CE2-CD1 3.72Å; F331-L336 HydrophobicContact CE2-CD2 3.75Å; F331-L336 HydrophobicContact CE2-CG 3.88Å; F331-L347 HydrophobicContact CE2-CD2 4.43Å; F331-L347 HydrophobicContact CZ-CD2 3.84Å; F331-W352 HydrophobicContact CD1-CH2 4.37Å; F331-W352 HydrophobicContact CD1-CZ3 4.32Å; F331-W352 AromaticContact CE1-CH2 3.81Å; F331-W352 HydrophobicContact CE1-CH2 3.81Å; F331-W352 HydrophobicContact CE1-CZ3 4.21Å; F331-W352 HydrophobicContact CZ-CH2 4.26Å; F331-Y360 HydrophobicContact CB-CD1 3.94Å; F331-Y360 HydrophobicContact CB-CE1 4.01Å; F331-Y360 WeakPolarHBondContact O-CD1 3.44Å; F331-L361 HydrophobicContact CD2-CD1 3.67Å; F331-L361 HydrophobicContact CD2-CD2 4.29Å; F331-L361 HydrophobicContact CD2-CG 4.43Å; F331-L361 HydrophobicContact CE2-CD1 3.87Å; F331-L361 HydrophobicContact CE2-CD2 4.49Å; F331-L361 HydrophobicContact CG-CD1 4.46Å; F331-L361 HydrophobicContact CG-CD2 4.37Å
332	D	91.5	Very high	93.4	Very high	65 Å²	65	46.6 Å²	46.6	35%	0.348	22%	0.222	S	C	.	.			trans	-67.3	155.7	168.7	-75.1	-21.7	0	0	0	111	F306 P309 G334 V335 Y360	F306-D332 WeakPolarHBondContact CE2-OD2 3.3Å; P309-D332 HydrophobicContact CG-CB 4.35Å; D332-G334 PolarHBondContact O-N 2.98Å; D332-V335 HydrophobicContact CB-CG2 4.15Å; D332-V335 VanDerWaalsContact O-CG2 3.3Å; D332-V335 WeakPolarHBondContact O-CG2 3.18Å; D332-V335 PolarHBondContact O-N 3.12Å; D332-Y360 WeakPolarHBondContact O-CD1 3.04Å; D332-Y360 WeakPolarHBondContact O-CE1 3.4Å
333	Y	88.2	Confident	93.2	Very high	172 Å²	172	50 Å²	50	68%	0.675	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	133.2	174.8	-175.7	-83.8	0	0	0	110.6	Y360	Y333-Y360 AromaticContact CD2-CD2 3.73Å; Y333-Y360 HydrophobicContact CD2-CD2 3.73Å; Y333-Y360 AromaticContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CE2-CD2 4.37Å; Y333-Y360 HydrophobicContact CE2-CE2 4.34Å; Y333-Y360 HydrophobicContact CG-CD2 4.39Å; Y333-Y360 HydrophobicContact CG-CE2 4.37Å
334	G	86.8	Confident	93.2	Very high	7 Å²	7	52.4 Å²	52.4	7%	0.072	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	-18.7	176.2	0	0	0	0	0	114.9	D332 L336 E337 Y360	D332-G334 PolarHBondContact O-N 2.98Å; G334-L336 PolarHBondContact O-N 3.25Å; G334-L336 VanDerWaalsContact O-N 3.08Å; G334-E337 VanDerWaalsContact O-CB 3.28Å; G334-E337 WeakPolarHBondContact O-CB 3.39Å; G334-E337 PolarHBondContact O-N 3.12Å; G334-Y360 PolarHBondContact N-OH 3.2Å
335	V	93.4	Very high	93.2	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.018	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-38.2	-176.5	170	0	0	0	0	113.2	I307 F312 F331 D332	I307-V335 HydrophobicContact CB-CG1 4.23Å; I307-V335 HydrophobicContact CG2-CG1 3.66Å; I307-V335 HydrophobicContact CG2-CG2 4.41Å; F312-V335 HydrophobicContact CD2-CG1 4.1Å; F312-V335 WeakPolarHBondContact CD2-O 3.24Å; F312-V335 HydrophobicContact CE2-CG1 3.99Å; F331-V335 HydrophobicContact CB-CB 4.47Å; F331-V335 HydrophobicContact CD2-CG1 4.28Å; F331-V335 HydrophobicContact CG-CG1 4.37Å; D332-V335 HydrophobicContact CB-CG2 4.15Å; D332-V335 VanDerWaalsContact O-CG2 3.3Å; D332-V335 WeakPolarHBondContact O-CG2 3.18Å; D332-V335 PolarHBondContact O-N 3.12Å
336	L	93.1	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	8.3	-178.6	-58	177.4	0	0	0	113.7	F331 G334 D338 L339 L345 Y360 L361 W364	F331-L336 HydrophobicContact CD2-CD1 3.63Å; F331-L336 HydrophobicContact CD2-CD2 4.09Å; F331-L336 HydrophobicContact CD2-CG 3.72Å; F331-L336 HydrophobicContact CE2-CD1 3.72Å; F331-L336 HydrophobicContact CE2-CD2 3.75Å; F331-L336 HydrophobicContact CE2-CG 3.88Å; G334-L336 PolarHBondContact O-N 3.25Å; G334-L336 VanDerWaalsContact O-N 3.08Å; L336-D338 VanDerWaalsContact C-N 3.34Å; L336-D338 PolarHBondContact O-N 3.14Å; L336-L339 HydrophobicContact CD2-CD1 3.64Å; L336-L339 PolarHBondContact O-N 3.28Å; L336-L345 HydrophobicContact CD1-CD2 4.39Å; L336-Y360 PolarHBondContact N-OH 3.38Å; L336-L361 HydrophobicContact CD1-CD1 3.89Å; L336-W364 HydrophobicContact CB-CD2 3.93Å; L336-W364 VanDerWaalsContact CB-CE2 3.5Å; L336-W364 HydrophobicContact CB-CG 4.28Å; L336-W364 HydrophobicContact CB-CH2 4.45Å; L336-W364 HydrophobicContact CB-CZ2 3.8Å; L336-W364 HydrophobicContact CD1-CD2 3.68Å; L336-W364 HydrophobicContact CD1-CE3 3.6Å; L336-W364 HydrophobicContact CD1-CG 4.21Å; L336-W364 HydrophobicContact CD1-CH2 4.34Å; L336-W364 HydrophobicContact CD1-CZ2 4.4Å; L336-W364 HydrophobicContact CD1-CZ3 3.95Å; L336-W364 PolarHBondContact O-NE1 3.46Å
337	E	86.3	Confident	93.1	Very high	99 Å²	99	50.6 Å²	50.6	46%	0.463	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.8	-168.9	-169.9	166.4	-176.7	0	0	113.2	G334 Y340	G334-E337 VanDerWaalsContact O-CB 3.28Å; G334-E337 WeakPolarHBondContact O-CB 3.39Å; G334-E337 PolarHBondContact O-N 3.12Å; E337-Y340 VanDerWaalsContact O-CE1 3.3Å; E337-Y340 WeakPolarHBondContact O-CE1 3.43Å
338	D	84	Confident	93.1	Very high	42 Å²	42	54.4 Å²	54.4	23%	0.225	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-1.7	-177.5	-65.9	-41.6	0	0	0	114.5	L313 L336 Y340	L313-D338 WeakPolarHBondContact CD1-OD2 3.39Å; L336-D338 VanDerWaalsContact C-N 3.34Å; L336-D338 PolarHBondContact O-N 3.14Å; D338-Y340 VanDerWaalsContact C-N 3.27Å; D338-Y340 WeakPolarHBondContact O-CD2 3.38Å; D338-Y340 PolarHBondContact O-N 3.06Å
339	L	91.6	Very high	93	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	27%	0.268	C	S	.	.			trans	-88.1	53.6	-174.1	-59.7	-174.6	0	0	0	112.8	F312 L315 L318 L321 L336 F341 L342	F312-L339 HydrophobicContact CB-CD2 4.09Å; F312-L339 HydrophobicContact CD2-CD1 4.35Å; L315-L339 HydrophobicContact CB-CD2 3.89Å; L318-L339 HydrophobicContact CB-CD2 4.22Å; L318-L339 HydrophobicContact CD2-CD1 4.39Å; L318-L339 HydrophobicContact CD2-CD2 3.89Å; L321-L339 HydrophobicContact CD2-CD1 4Å; L336-L339 HydrophobicContact CD2-CD1 3.64Å; L336-L339 PolarHBondContact O-N 3.28Å; L339-F341 VanDerWaalsContact C-N 3.26Å; L339-F341 PolarHBondContact O-N 2.98Å; L339-F341 VanDerWaalsContact O-N 3.15Å; L339-L342 HydrophobicContact CB-CB 4.21Å; L339-L342 HydrophobicContact CD1-CD2 4.23Å; L339-L342 WeakPolarHBondContact O-CB 3.44Å; L339-L342 PolarHBondContact O-N 3.2Å
340	Y	86.3	Confident	93.1	Very high	143 Å²	143	55.8 Å²	55.8	56%	0.561	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.8	-170.3	-54.5	-68.8	0	0	0	115.5	E337 D338	E337-Y340 VanDerWaalsContact O-CE1 3.3Å; E337-Y340 WeakPolarHBondContact O-CE1 3.43Å; D338-Y340 VanDerWaalsContact C-N 3.27Å; D338-Y340 WeakPolarHBondContact O-CD2 3.38Å; D338-Y340 PolarHBondContact O-N 3.06Å
341	F	92.3	Very high	93.2	Very high	123 Å²	123	56.1 Å²	56.1	54%	0.539	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	11	-175.7	-65.9	-90.7	0	0	0	113.4	T316 L318 L339 K343	T316-F341 WeakPolarHBondContact O-CD2 3.02Å; L318-F341 CarbonylContact O-C 3.1Å; L339-F341 VanDerWaalsContact C-N 3.26Å; L339-F341 PolarHBondContact O-N 2.98Å; L339-F341 VanDerWaalsContact O-N 3.15Å; F341-K343 PolarHBondContact O-N 2.8Å
342	L	95.9	Very high	93.3	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	25%	0.253	C	S	.	.			trans	-61.2	135.8	179.7	-164	69.6	0	0	0	109.9	L318 L321 L339 L345 W364 V371	L318-L342 HydrophobicContact CD2-CD1 4.21Å; L318-L342 HydrophobicContact CG-CD1 4.31Å; L318-L342 VanDerWaalsContact O-CA 3.26Å; L318-L342 WeakPolarHBondContact O-CA 3.46Å; L318-L342 PolarHBondContact O-N 2.8Å; L318-L342 VanDerWaalsContact O-N 3.11Å; L321-L342 HydrophobicContact CB-CD1 3.79Å; L339-L342 HydrophobicContact CB-CB 4.21Å; L339-L342 HydrophobicContact CD1-CD2 4.23Å; L339-L342 WeakPolarHBondContact O-CB 3.44Å; L339-L342 PolarHBondContact O-N 3.2Å; L342-L345 HydrophobicContact CD2-CB 4.1Å; L342-L345 HydrophobicContact CD2-CD1 4.32Å; L342-L345 HydrophobicContact CD2-CD2 4.38Å; L342-L345 HydrophobicContact CD2-CG 4.48Å; L342-W364 HydrophobicContact CD2-CH2 3.89Å; L342-W364 HydrophobicContact CD2-CZ3 4.44Å; L342-V371 HydrophobicContact CB-CG2 4.35Å; L342-V371 HydrophobicContact CD2-CG1 4.27Å; L342-V371 HydrophobicContact CG-CG1 4.45Å; L342-V371 VanDerWaalsContact O-CG2 3.28Å; L342-V371 WeakPolarHBondContact O-CG2 3.25Å
343	K	95.1	Very high	93.5	Very high	103 Å²	103	58.1 Å²	58.1	45%	0.448	26%	0.257	S	S	.	.			trans	-122.6	-38.1	179.2	-63.1	174.5	-171.1	163.9	0	111.6	E319 F341 V371 H372	E319-K343 HydrophobicContact CB-CD 4.4Å; E319-K343 WeakPolarHBondContact O-CA 3.13Å; E319-K343 WeakPolarHBondContact O-CB 3.21Å; E319-K343 PolarHBondContact O-N 3.05Å; E319-K343 IonicContact OE2-NZ 2.68Å; E319-K343 PolarHBondContact OE2-NZ 3.08Å; F341-K343 PolarHBondContact O-N 2.8Å; K343-V371 CarbonylContact O-C 3.41Å; K343-V371 WeakPolarHBondContact O-CA 3.36Å; K343-H372 PolarHBondContact O-N 3.16Å
344	L	97.4	Very high	93.9	Very high	49 Å²	49	50 Å²	50	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.9	-177.4	-56.2	-178.5	0	0	0	109.9	E319 E320 L321 W346 H372	E319-L344 PolarHBondContact O-N 3.4Å; E320-L344 WeakPolarHBondContact CA-O 3.27Å; E320-L344 HydrophobicContact CB-CB 4.36Å; E320-L344 HydrophobicContact CG-CB 4.12Å; E320-L344 HydrophobicContact CG-CD1 3.91Å; E320-L344 HydrophobicContact CG-CG 4.21Å; L321-L344 PolarHBondContact N-O 3.17Å; L344-W346 HydrophobicContact CB-CH2 3.75Å; L344-W346 HydrophobicContact CB-CZ2 3.95Å; L344-W346 HydrophobicContact CB-CZ3 4.09Å; L344-W346 HydrophobicContact CD1-CH2 3.68Å; L344-W346 HydrophobicContact CD1-CZ2 3.74Å; L344-W346 HydrophobicContact CG-CH2 4.37Å; L344-W346 HydrophobicContact CG-CZ2 4.42Å; L344-H372 WeakPolarHBondContact CA-O 3.16Å; L344-H372 HydrophobicContact CD2-CB 3.87Å
345	L	97.8	Very high	94.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.8	177.4	-178.7	59.7	0	0	0	110.8	L321 L336 L342 L347 L365 V371 H372 F373 N374	L321-L345 HydrophobicContact CB-CD1 3.98Å; L321-L345 HydrophobicContact CD2-CD1 3.91Å; L321-L345 HydrophobicContact CG-CD1 3.94Å; L321-L345 WeakPolarHBondContact O-CA 3.36Å; L336-L345 HydrophobicContact CD1-CD2 4.39Å; L342-L345 HydrophobicContact CD2-CB 4.1Å; L342-L345 HydrophobicContact CD2-CD1 4.32Å; L342-L345 HydrophobicContact CD2-CD2 4.38Å; L342-L345 HydrophobicContact CD2-CG 4.48Å; L345-L347 HydrophobicContact CD1-CD2 4.01Å; L345-L347 HydrophobicContact CD1-CG 4.39Å; L345-L347 HydrophobicContact CD2-CD1 3.86Å; L345-L347 HydrophobicContact CD2-CD2 4.29Å; L345-L347 HydrophobicContact CD2-CG 4.21Å; L345-L347 HydrophobicContact CG-CD1 4.04Å; L345-L347 HydrophobicContact CG-CD2 4Å; L345-L347 HydrophobicContact CG-CG 3.86Å; L345-L365 HydrophobicContact CD2-CD2 4.18Å; L345-V371 HydrophobicContact CB-CG1 3.94Å; L345-H372 PolarHBondContact N-O 2.97Å; L345-F373 HydrophobicContact CB-CB 4.24Å; L345-F373 WeakPolarHBondContact O-CA 3.38Å; L345-F373 WeakPolarHBondContact O-CB 3.46Å; L345-N374 PolarHBondContact O-N 3.39Å
346	W	98.4	Very high	94	Very high	68 Å²	68	58.8 Å²	58.8	26%	0.258	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	119.4	179	-62.2	-78.8	0	0	0	111.4	E320 L321 D322 L323 S324 L344 N374	E320-W346 HydrophobicContact CB-CH2 4.12Å; E320-W346 HydrophobicContact CB-CZ3 3.86Å; E320-W346 HydrophobicContact CG-CH2 4.4Å; L321-W346 PolarHBondContact O-N 3.15Å; D322-W346 HydrophobicContact CB-CB 4.38Å; D322-W346 HydrophobicContact CB-CD2 4.38Å; D322-W346 HydrophobicContact CB-CE3 3.62Å; D322-W346 HydrophobicContact CB-CZ3 4.29Å; D322-W346 WeakPolarHBondContact OD1-CB 3.15Å; L323-W346 CarbonylContact C-O 3.49Å; L323-W346 WeakPolarHBondContact CA-O 3.46Å; L323-W346 PolarHBondContact N-O 2.84Å; S324-W346 PolarHBondContact N-O 3.22Å; L344-W346 HydrophobicContact CB-CH2 3.75Å; L344-W346 HydrophobicContact CB-CZ2 3.95Å; L344-W346 HydrophobicContact CB-CZ3 4.09Å; L344-W346 HydrophobicContact CD1-CH2 3.68Å; L344-W346 HydrophobicContact CD1-CZ2 3.74Å; L344-W346 HydrophobicContact CG-CH2 4.37Å; L344-W346 HydrophobicContact CG-CZ2 4.42Å; W346-N374 WeakPolarHBondContact CA-OD1 3.37Å
347	L	97.3	Very high	93.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	28%	0.278	C	S	.	.			trans	-124.1	5.5	-174.2	-61.2	172.3	0	0	0	113.3	L323 F331 L345 N350 W352 L361 N374 L376	L323-L347 HydrophobicContact CB-CD2 4.28Å; L323-L347 HydrophobicContact CD1-CD2 4.5Å; F331-L347 HydrophobicContact CE2-CD2 4.43Å; F331-L347 HydrophobicContact CZ-CD2 3.84Å; L345-L347 HydrophobicContact CD1-CD2 4.01Å; L345-L347 HydrophobicContact CD1-CG 4.39Å; L345-L347 HydrophobicContact CD2-CD1 3.86Å; L345-L347 HydrophobicContact CD2-CD2 4.29Å; L345-L347 HydrophobicContact CD2-CG 4.21Å; L345-L347 HydrophobicContact CG-CD1 4.04Å; L345-L347 HydrophobicContact CG-CD2 4Å; L345-L347 HydrophobicContact CG-CG 3.86Å; L347-N350 PolarHBondContact O-ND2 3.3Å; L347-N350 VanDerWaalsContact O-ND2 3.14Å; L347-W352 HydrophobicContact CB-CZ2 3.65Å; L347-W352 HydrophobicContact CD1-CZ2 4.44Å; L347-W352 HydrophobicContact CD2-CH2 4.04Å; L347-W352 HydrophobicContact CD2-CZ2 3.82Å; L347-W352 HydrophobicContact CG-CZ2 4.16Å; L347-W352 PolarHBondContact O-NE1 3.06Å; L347-L361 HydrophobicContact CD1-CD1 4.33Å; L347-L361 HydrophobicContact CD1-CD2 4.23Å; L347-N374 CarbonylContact C-O 3.53Å; L347-N374 WeakPolarHBondContact CA-O 3.37Å; L347-N374 VanDerWaalsContact CB-O 3.24Å; L347-N374 WeakPolarHBondContact CB-O 3.36Å; L347-N374 PolarHBondContact N-O 3.09Å; L347-L376 HydrophobicContact CB-CD2 4.43Å; L347-L376 HydrophobicContact CD1-CD1 4.42Å; L347-L376 HydrophobicContact CD1-CD2 3.77Å; L347-L376 HydrophobicContact CD1-CG 3.99Å
348	R	96.1	Very high	94.2	Very high	125 Å²	125	57.7 Å²	57.7	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	154.1	179.9	-74.2	-176.3	-60.2	172.8	3	112.3	S324 N325 N350 N374 G375	S324-R348 CarbonylContact C-O 3.43Å; S324-R348 WeakPolarHBondContact CA-O 2.87Å; S324-R348 WeakPolarHBondContact CB-O 3.22Å; N325-R348 PolarHBondContact N-O 2.78Å; R348-N350 PolarHBondContact O-N 3.44Å; R348-N350 PolarHBondContact O-ND2 2.91Å; R348-N374 HydrophobicContact CG-CB 4.33Å; R348-N374 WeakPolarHBondContact CG-OD1 3.39Å; R348-N374 PolarHBondContact N-O 3.07Å; R348-N374 PolarHBondContact NE-ND2 3.36Å; R348-G375 VanDerWaalsContact CG-CA 3.43Å
349	D	96.2	Very high	94.5	Very high	112 Å²	112	56.1 Å²	56.1	60%	0.599	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	35.3	172.4	-49.9	-47.9	0	0	0	113.3	N325	N325-D349 VanDerWaalsContact CA-O 3.32Å; N325-D349 WeakPolarHBondContact CA-O 3.29Å; N325-D349 HydrophobicContact CB-CB 4.12Å
350	N	97.7	Very high	94.6	Very high	4 Å²	4	58 Å²	58	2%	0.021	26%	0.255	C	S	.	.			trans	-110.6	146.7	168	-79.3	-79.8	0	0	0	110.2	L323 N326 L328 L347 R348 W352	L323-N350 PolarHBondContact O-ND2 3.38Å; N326-N350 VanDerWaalsContact CA-OD1 3.23Å; N326-N350 WeakPolarHBondContact CA-OD1 3.3Å; N326-N350 WeakPolarHBondContact CB-OD1 2.94Å; N326-N350 PolarHBondContact N-OD1 2.92Å; N326-N350 PolarHBondContact O-OD1 3.28Å; N326-N350 VanDerWaalsContact O-OD1 3.06Å; L328-N350 HydrophobicContact CB-CB 4.32Å; L328-N350 WeakPolarHBondContact CB-OD1 2.99Å; L328-N350 PolarHBondContact N-OD1 2.74Å; L328-N350 VanDerWaalsContact N-OD1 3.13Å; L347-N350 PolarHBondContact O-ND2 3.3Å; L347-N350 VanDerWaalsContact O-ND2 3.14Å; R348-N350 PolarHBondContact O-N 3.44Å; R348-N350 PolarHBondContact O-ND2 2.91Å; N350-W352 HydrophobicContact CB-CD2 4.14Å; N350-W352 VanDerWaalsContact CB-CE2 3.47Å; N350-W352 HydrophobicContact CB-CH2 4.31Å; N350-W352 HydrophobicContact CB-CZ2 3.53Å; N350-W352 PolarHBondContact O-N 2.94Å
351	P	96.9	Very high	95	Very high	45 Å²	45	51.2 Å²	51.2	29%	0.292	23%	0.228	S	C	.	.			trans	-78.2	58.3	179.5	34.6	-38	0	0	0	112.8	N326 L328 Q329 R353 K379	N326-P351 WeakPolarHBondContact O-CD 3.24Å; L328-P351 CarbonylContact O-C 3.14Å; L328-P351 VanDerWaalsContact O-CD 3.24Å; L328-P351 WeakPolarHBondContact O-CD 3.36Å; Q329-P351 HydrophobicContact CG-CG 4.23Å; P351-R353 PolarHBondContact O-N 3.3Å; P351-K379 HydrophobicContact CB-CB 4.49Å
352	W	97.1	Very high	95	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.209	C	C	.	.			trans	-53.9	125.6	-177.3	-60.2	113	0	0	0	111.9	L328 F331 L347 N350 I358 L361 G375 L376 K379 T380	L328-W352 HydrophobicContact CB-CH2 3.72Å; L328-W352 HydrophobicContact CB-CZ2 4.43Å; L328-W352 HydrophobicContact CB-CZ3 3.9Å; L328-W352 HydrophobicContact CD1-CH2 4.28Å; F331-W352 HydrophobicContact CD1-CH2 4.37Å; F331-W352 HydrophobicContact CD1-CZ3 4.32Å; F331-W352 AromaticContact CE1-CH2 3.81Å; F331-W352 HydrophobicContact CE1-CH2 3.81Å; F331-W352 HydrophobicContact CE1-CZ3 4.21Å; F331-W352 HydrophobicContact CZ-CH2 4.26Å; L347-W352 HydrophobicContact CB-CZ2 3.65Å; L347-W352 HydrophobicContact CD1-CZ2 4.44Å; L347-W352 HydrophobicContact CD2-CH2 4.04Å; L347-W352 HydrophobicContact CD2-CZ2 3.82Å; L347-W352 HydrophobicContact CG-CZ2 4.16Å; L347-W352 PolarHBondContact O-NE1 3.06Å; N350-W352 HydrophobicContact CB-CD2 4.14Å; N350-W352 VanDerWaalsContact CB-CE2 3.47Å; N350-W352 HydrophobicContact CB-CH2 4.31Å; N350-W352 HydrophobicContact CB-CZ2 3.53Å; N350-W352 PolarHBondContact O-N 2.94Å; W352-I358 HydrophobicContact CB-CD1 4.45Å; W352-I358 HydrophobicContact CD2-CD1 4.43Å; W352-I358 HydrophobicContact CE3-CD1 3.75Å; W352-L361 HydrophobicContact CE3-CD2 4.29Å; W352-L361 HydrophobicContact CH2-CD2 4.12Å; W352-L361 HydrophobicContact CZ3-CD2 3.87Å; W352-G375 VanDerWaalsContact CD1-O 3.23Å; W352-G375 PolarHBondContact NE1-O 3.13Å; W352-L376 HydrophobicContact CD2-CD2 4.04Å; W352-L376 HydrophobicContact CG-CD2 4.28Å; W352-L376 HydrophobicContact CZ2-CD2 4.4Å; W352-K379 PolarHBondContact O-N 3.24Å; W352-T380 PolarHBondContact O-N 3.28Å
353	R	96.2	Very high	94.8	Very high	114 Å²	114	50.6 Å²	50.6	43%	0.43	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-97.5	112.7	178.2	-176.8	174	178.6	-174.9	-3.7	108.9	Q329 P351 D355 T380	Q329-R353 HydrophobicContact CB-CB 4Å; Q329-R353 PolarHBondContact O-N 3.14Å; P351-R353 PolarHBondContact O-N 3.3Å; R353-D355 VanDerWaalsContact C-N 3.35Å; R353-D355 VanDerWaalsContact CD-OD2 3.27Å; R353-D355 WeakPolarHBondContact CD-OD2 3.2Å; R353-D355 HydrophobicContact CG-CB 4.47Å; R353-D355 IonicContact CZ-OD2 2.71Å; R353-D355 IonicContact NE-OD2 3.12Å; R353-D355 PolarHBondContact NE-OD2 3.06Å; R353-D355 IonicContact NH2-OD2 2.7Å; R353-D355 PolarHBondContact O-N 3.27Å; R353-D355 VanDerWaalsContact O-N 3.1Å; R353-T380 CarbonylContact C-O 3.6Å; R353-T380 WeakPolarHBondContact CA-O 3.33Å; R353-T380 WeakPolarHBondContact CA-OG1 3.04Å; R353-T380 WeakPolarHBondContact CB-OG1 3.24Å; R353-T380 WeakPolarHBondContact CG-OG1 3.49Å
354	C	95.5	Very high	94.7	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.007	21%	0.205	C	C	.	.			trans	-86.2	80.1	179.9	-72.5	0	0	0	0	110.5	C378 T380 P381 Y384 Y392	C354-C378 HydrophobicContact CB-CB 3.77Å; C354-C378 WeakPolarHBondContact CB-SG 3.4Å; C354-C378 VanDerWaalsContact SG-CA 3.53Å; C354-C378 WeakPolarHBondContact SG-CB 2.99Å; C354-C378 CovalentContact SG-SG 2.01Å; C354-C378 PolarHBondContact SG-SG 2.76Å; C354-T380 PolarHBondContact N-O 3.19Å; C354-P381 WeakPolarHBondContact O-CD 3.27Å; C354-Y384 HydrophobicContact CB-CD2 4.46Å; C354-Y392 HydrophobicContact CB-CD1 3.67Å; C354-Y392 HydrophobicContact CB-CD2 4.11Å; C354-Y392 HydrophobicContact CB-CE1 4Å; C354-Y392 HydrophobicContact CB-CE2 4.42Å; C354-Y392 HydrophobicContact CB-CG 3.74Å
355	D	92.6	Very high	94.4	Very high	29 Å²	29	44.8 Å²	44.8	16%	0.155	20%	0.195	C	C	.	.	S	Bend	trans	-129.3	-164.8	169.6	65.7	21.9	0	0	0	110.2	R353 N357 I358 H359 Y392	R353-D355 VanDerWaalsContact C-N 3.35Å; R353-D355 VanDerWaalsContact CD-OD2 3.27Å; R353-D355 WeakPolarHBondContact CD-OD2 3.2Å; R353-D355 HydrophobicContact CG-CB 4.47Å; R353-D355 IonicContact CZ-OD2 2.71Å; R353-D355 IonicContact NE-OD2 3.12Å; R353-D355 PolarHBondContact NE-OD2 3.06Å; R353-D355 IonicContact NH2-OD2 2.7Å; R353-D355 PolarHBondContact O-N 3.27Å; R353-D355 VanDerWaalsContact O-N 3.1Å; D355-N357 PolarHBondContact O-N 2.91Å; D355-N357 VanDerWaalsContact OD1-CB 3.31Å; D355-N357 WeakPolarHBondContact OD1-CB 3.04Å; D355-N357 PolarHBondContact OD1-N 3.15Å; D355-N357 PolarHBondContact OD1-ND2 3.21Å; D355-N357 VanDerWaalsContact OD1-ND2 3.13Å; D355-N357 PolarHBondContact OD2-ND2 2.96Å; D355-I358 WeakPolarHBondContact O-CG2 3.44Å; D355-I358 PolarHBondContact O-N 3.27Å; D355-H359 PolarHBondContact O-ND1 2.82Å; D355-Y392 VanDerWaalsContact CA-OH 3.28Å; D355-Y392 WeakPolarHBondContact CA-OH 2.93Å
356	Y	89.4	Confident	94	Very high	165 Å²	165	49.5 Å²	49.5	65%	0.647	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-31.6	178.5	-177.3	-101.2	0	0	0	113.6	I358 H359	Y356-I358 VanDerWaalsContact C-N 3.32Å; Y356-I358 PolarHBondContact O-N 3.3Å; Y356-H359 WeakPolarHBondContact CA-ND1 3.13Å; Y356-H359 VanDerWaalsContact O-CB 3.32Å; Y356-H359 WeakPolarHBondContact O-CB 3.36Å; Y356-H359 PolarHBondContact O-N 3.4Å; Y356-H359 PolarHBondContact O-ND1 2.95Å
357	N	90.8	Very high	93.5	Very high	77 Å²	77	53 Å²	53	41%	0.412	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-23.6	-174	-54.8	-55.7	0	0	0	113.1	N330 D355 H359	N330-N357 HydrophobicContact CB-CB 3.98Å; D355-N357 PolarHBondContact O-N 2.91Å; D355-N357 VanDerWaalsContact OD1-CB 3.31Å; D355-N357 WeakPolarHBondContact OD1-CB 3.04Å; D355-N357 PolarHBondContact OD1-N 3.15Å; D355-N357 PolarHBondContact OD1-ND2 3.21Å; D355-N357 VanDerWaalsContact OD1-ND2 3.13Å; D355-N357 PolarHBondContact OD2-ND2 2.96Å; N357-H359 PolarHBondContact O-N 3.37Å
358	I	93.6	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.7	-15.5	178.4	-152.6	64	0	0	0	113	N330 W352 D355 Y356 Y360 L361 Y362 V389 Y392 I393	N330-I358 HydrophobicContact CB-CD1 4.28Å; W352-I358 HydrophobicContact CB-CD1 4.45Å; W352-I358 HydrophobicContact CD2-CD1 4.43Å; W352-I358 HydrophobicContact CE3-CD1 3.75Å; D355-I358 WeakPolarHBondContact O-CG2 3.44Å; D355-I358 PolarHBondContact O-N 3.27Å; Y356-I358 VanDerWaalsContact C-N 3.32Å; Y356-I358 PolarHBondContact O-N 3.3Å; I358-Y360 VanDerWaalsContact C-N 3.32Å; I358-Y360 PolarHBondContact O-N 2.92Å; I358-L361 HydrophobicContact CD1-CD2 4.29Å; I358-L361 PolarHBondContact O-N 3.05Å; I358-Y362 PolarHBondContact O-N 2.91Å; I358-V389 HydrophobicContact CG1-CG1 3.74Å; I358-V389 HydrophobicContact CG1-CG2 4.09Å; I358-V389 HydrophobicContact CG2-CG1 3.96Å; I358-Y392 HydrophobicContact CG2-CD1 4.02Å; I358-Y392 HydrophobicContact CG2-CE1 3.84Å; I358-I393 HydrophobicContact CG2-CD1 4.47Å
359	H	91.1	Very high	92.7	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-40.5	-175.3	-73.9	66.9	0	0	0	111.6	D355 Y356 N357 L361 Y362 Y363 Y392 Y396	D355-H359 PolarHBondContact O-ND1 2.82Å; Y356-H359 WeakPolarHBondContact CA-ND1 3.13Å; Y356-H359 VanDerWaalsContact O-CB 3.32Å; Y356-H359 WeakPolarHBondContact O-CB 3.36Å; Y356-H359 PolarHBondContact O-N 3.4Å; Y356-H359 PolarHBondContact O-ND1 2.95Å; N357-H359 PolarHBondContact O-N 3.37Å; H359-L361 PolarHBondContact O-N 3.23Å; H359-Y362 PolarHBondContact O-N 3.24Å; H359-Y363 HydrophobicContact CB-CD2 4.05Å; H359-Y363 HydrophobicContact CB-CE2 3.81Å; H359-Y363 AromaticContact CD2-CE2 3.97Å; H359-Y363 WeakPolarHBondContact O-CB 3.46Å; H359-Y363 WeakPolarHBondContact O-CD2 3.2Å; H359-Y363 PolarHBondContact O-N 2.84Å; H359-Y392 AromaticContact CE1-CE1 3.83Å; H359-Y396 AromaticContact NE2-CD1 3.56Å; H359-Y396 AromaticContact NE2-CE1 3.93Å; H359-Y396 AromaticContact NE2-CG 3.96Å
360	Y	92.9	Very high	92.4	Very high	43 Å²	43	58.7 Å²	58.7	17%	0.169	26%	0.26	C	S	.	.	H	α-helix	trans	-54.1	-53.7	177.7	165.7	-103.8	0	0	0	111.7	F331 D332 Y333 G334 L336 I358 Y362 Y363 W364	F331-Y360 HydrophobicContact CB-CD1 3.94Å; F331-Y360 HydrophobicContact CB-CE1 4.01Å; F331-Y360 WeakPolarHBondContact O-CD1 3.44Å; D332-Y360 WeakPolarHBondContact O-CD1 3.04Å; D332-Y360 WeakPolarHBondContact O-CE1 3.4Å; Y333-Y360 AromaticContact CD2-CD2 3.73Å; Y333-Y360 HydrophobicContact CD2-CD2 3.73Å; Y333-Y360 AromaticContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CD2-CE2 3.91Å; Y333-Y360 HydrophobicContact CE2-CD2 4.37Å; Y333-Y360 HydrophobicContact CE2-CE2 4.34Å; Y333-Y360 HydrophobicContact CG-CD2 4.39Å; Y333-Y360 HydrophobicContact CG-CE2 4.37Å; G334-Y360 PolarHBondContact N-OH 3.2Å; L336-Y360 PolarHBondContact N-OH 3.38Å; I358-Y360 VanDerWaalsContact C-N 3.32Å; I358-Y360 PolarHBondContact O-N 2.92Å; Y360-Y362 VanDerWaalsContact C-N 3.32Å; Y360-Y362 PolarHBondContact O-N 2.88Å; Y360-Y363 PolarHBondContact O-N 3.17Å; Y360-W364 WeakPolarHBondContact O-CB 3.22Å; Y360-W364 PolarHBondContact O-N 2.93Å
361	L	94.3	Very high	92.1	Very high	1 Å²	1	59 Å²	59	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-44.2	-178.3	175.8	53.2	0	0	0	111.4	F331 L336 L347 W352 I358 H359 L365 L376	F331-L361 HydrophobicContact CD2-CD1 3.67Å; F331-L361 HydrophobicContact CD2-CD2 4.29Å; F331-L361 HydrophobicContact CD2-CG 4.43Å; F331-L361 HydrophobicContact CE2-CD1 3.87Å; F331-L361 HydrophobicContact CE2-CD2 4.49Å; F331-L361 HydrophobicContact CG-CD1 4.46Å; F331-L361 HydrophobicContact CG-CD2 4.37Å; L336-L361 HydrophobicContact CD1-CD1 3.89Å; L347-L361 HydrophobicContact CD1-CD1 4.33Å; L347-L361 HydrophobicContact CD1-CD2 4.23Å; W352-L361 HydrophobicContact CE3-CD2 4.29Å; W352-L361 HydrophobicContact CH2-CD2 4.12Å; W352-L361 HydrophobicContact CZ3-CD2 3.87Å; I358-L361 HydrophobicContact CD1-CD2 4.29Å; I358-L361 PolarHBondContact O-N 3.05Å; H359-L361 PolarHBondContact O-N 3.23Å; L361-L365 HydrophobicContact CD1-CD1 4.03Å; L361-L365 HydrophobicContact CD1-CG 4.31Å; L361-L365 HydrophobicContact CG-CD1 4.29Å; L361-L365 VanDerWaalsContact O-CG 3.31Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 2.86Å; L361-L365 VanDerWaalsContact O-N 3.07Å; L361-L376 HydrophobicContact CD2-CD2 3.77Å; L361-L376 HydrophobicContact CG-CD1 4.49Å; L361-L376 HydrophobicContact CG-CD2 4.45Å
362	Y	93	Very high	92	Very high	33 Å²	33	62.8 Å²	62.8	13%	0.129	28%	0.275	C	S	.	.	H	α-helix	trans	-64.7	-45.3	178.2	-179.7	-101.5	0	0	0	112.8	I358 H359 Y360 W364 L365 K366 V389 I393	I358-Y362 PolarHBondContact O-N 2.91Å; H359-Y362 PolarHBondContact O-N 3.24Å; Y360-Y362 VanDerWaalsContact C-N 3.32Å; Y360-Y362 PolarHBondContact O-N 2.88Å; Y362-W364 VanDerWaalsContact C-N 3.35Å; Y362-L365 PolarHBondContact O-N 2.01Å; Y362-K366 HydrophobicContact CD1-CG 4.18Å; Y362-K366 HydrophobicContact CE1-CG 3.85Å; Y362-K366 WeakPolarHBondContact O-CG 3.42Å; Y362-K366 PolarHBondContact O-N 3.11Å; Y362-K366 WeakPolarHBondContact OH-CE 3.42Å; Y362-V389 HydrophobicContact CD2-CG1 4.26Å; Y362-I393 HydrophobicContact CD1-CB 4.36Å; Y362-I393 HydrophobicContact CD1-CD1 3.25Å; Y362-I393 HydrophobicContact CD1-CG1 4.37Å; Y362-I393 HydrophobicContact CD1-CG2 4.03Å; Y362-I393 HydrophobicContact CD2-CD1 3.85Å; Y362-I393 HydrophobicContact CE1-CB 4.27Å; Y362-I393 HydrophobicContact CE1-CD1 3.97Å; Y362-I393 HydrophobicContact CE1-CG2 3.87Å; Y362-I393 HydrophobicContact CG-CD1 3.14Å; Y362-I393 HydrophobicContact CG-CG1 4.49Å
363	Y	90.8	Very high	91.9	Very high	85 Å²	85	66.8 Å²	66.8	33%	0.333	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-39.7	178.6	-73.1	-52.8	0	0	0	112.3	H359 Y360 L365 K366 H367 Y397	H359-Y363 HydrophobicContact CB-CD2 4.05Å; H359-Y363 HydrophobicContact CB-CE2 3.81Å; H359-Y363 AromaticContact CD2-CE2 3.97Å; H359-Y363 WeakPolarHBondContact O-CB 3.46Å; H359-Y363 WeakPolarHBondContact O-CD2 3.2Å; H359-Y363 PolarHBondContact O-N 2.84Å; Y360-Y363 PolarHBondContact O-N 3.17Å; Y363-L365 VanDerWaalsContact C-N 3.29Å; Y363-L365 PolarHBondContact O-N 3.1Å; Y363-K366 PolarHBondContact O-N 2.74Å; Y363-K366 VanDerWaalsContact O-N 3.17Å; Y363-H367 PolarHBondContact O-N 3.06Å; Y363-H367 PolarHBondContact O-ND1 3.12Å; Y363-Y397 WeakPolarHBondContact OH-CE2 3.36Å; Y363-Y397 VanDerWaalsContact OH-CZ 3.22Å; Y363-Y397 PolarHBondContact OH-OH 3.04Å
364	W	93.3	Very high	91.7	Very high	20 Å²	20	63.6 Å²	63.6	8%	0.076	28%	0.284	C	S	.	.	H	α-helix	trans	-57.3	-46.4	174.3	-173.3	95.9	0	0	0	110.5	L336 L342 Y360 Y362 K366 H367 H368 V371	L336-W364 HydrophobicContact CB-CD2 3.93Å; L336-W364 VanDerWaalsContact CB-CE2 3.5Å; L336-W364 HydrophobicContact CB-CG 4.28Å; L336-W364 HydrophobicContact CB-CH2 4.45Å; L336-W364 HydrophobicContact CB-CZ2 3.8Å; L336-W364 HydrophobicContact CD1-CD2 3.68Å; L336-W364 HydrophobicContact CD1-CE3 3.6Å; L336-W364 HydrophobicContact CD1-CG 4.21Å; L336-W364 HydrophobicContact CD1-CH2 4.34Å; L336-W364 HydrophobicContact CD1-CZ2 4.4Å; L336-W364 HydrophobicContact CD1-CZ3 3.95Å; L336-W364 PolarHBondContact O-NE1 3.46Å; L342-W364 HydrophobicContact CD2-CH2 3.89Å; L342-W364 HydrophobicContact CD2-CZ3 4.44Å; Y360-W364 WeakPolarHBondContact O-CB 3.22Å; Y360-W364 PolarHBondContact O-N 2.93Å; Y362-W364 VanDerWaalsContact C-N 3.35Å; W364-K366 VanDerWaalsContact C-N 3.34Å; W364-K366 PolarHBondContact O-N 2.85Å; W364-H367 PolarHBondContact O-N 3.06Å; W364-H368 AromaticContact CD1-CE1 3.73Å; W364-H368 AromaticContact CD1-ND1 3.9Å; W364-H368 AromaticContact CD2-ND1 3.58Å; W364-H368 AromaticContact CE2-CE1 3.55Å; W364-H368 AromaticContact CE2-CG 3.94Å; W364-H368 AromaticContact CE2-ND1 3.45Å; W364-H368 HydrophobicContact CE3-CB 4.41Å; W364-H368 AromaticContact CG-ND1 3.86Å; W364-H368 HydrophobicContact CH2-CB 4.22Å; W364-H368 HydrophobicContact CZ2-CB 4.5Å; W364-H368 AromaticContact CZ2-CG 3.91Å; W364-H368 AromaticContact CZ2-ND1 3.9Å; W364-H368 HydrophobicContact CZ3-CB 4.18Å; W364-H368 AromaticContact NE1-CE1 3.35Å; W364-H368 PolarHBondContact NE1-CE1 3.24Å; W364-H368 VanDerWaalsContact NE1-CE1 3.35Å; W364-H368 AromaticContact NE1-ND1 3.67Å; W364-H368 WeakPolarHBondContact O-CB 3.11Å; W364-H368 PolarHBondContact O-N 3.09Å; W364-H368 PolarHBondContact O-ND1 3.2Å; W364-V371 HydrophobicContact CH2-CG2 3.86Å; W364-V371 HydrophobicContact CZ3-CB 4.4Å; W364-V371 HydrophobicContact CZ3-CG1 4.24Å; W364-V371 HydrophobicContact CZ3-CG2 4.01Å
365	L	92.6	Very high	91.4	Very high	9 Å²	9	64.8 Å²	64.8	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-65.4	-33.4	177	-71.5	169	0	0	0	113.5	L345 L361 Y362 Y363 H368 V371 F373 L376	L345-L365 HydrophobicContact CD2-CD2 4.18Å; L361-L365 HydrophobicContact CD1-CD1 4.03Å; L361-L365 HydrophobicContact CD1-CG 4.31Å; L361-L365 HydrophobicContact CG-CD1 4.29Å; L361-L365 VanDerWaalsContact O-CG 3.31Å; L361-L365 WeakPolarHBondContact O-CG 3.4Å; L361-L365 PolarHBondContact O-N 2.86Å; L361-L365 VanDerWaalsContact O-N 3.07Å; Y362-L365 PolarHBondContact O-N 2.01Å; Y363-L365 VanDerWaalsContact C-N 3.29Å; Y363-L365 PolarHBondContact O-N 3.1Å; L365-H368 CarbonylContact O-C 3.54Å; L365-H368 PolarHBondContact O-N 3.24Å; L365-V371 HydrophobicContact CD2-CG1 4.19Å; L365-F373 HydrophobicContact CB-CD1 4.4Å; L365-F373 HydrophobicContact CB-CE1 4.2Å; L365-F373 HydrophobicContact CD1-CD1 4Å; L365-F373 HydrophobicContact CD1-CD2 3.94Å; L365-F373 HydrophobicContact CD1-CE1 4.14Å; L365-F373 HydrophobicContact CD1-CE2 4.1Å; L365-F373 HydrophobicContact CD1-CG 3.89Å; L365-F373 HydrophobicContact CD1-CZ 4.19Å; L365-F373 HydrophobicContact CD2-CB 4.08Å; L365-F373 HydrophobicContact CD2-CD1 3.68Å; L365-F373 HydrophobicContact CD2-CE1 4.32Å; L365-F373 HydrophobicContact CD2-CG 3.93Å; L365-F373 HydrophobicContact CG-CD1 4.25Å; L365-F373 HydrophobicContact CG-CE1 4.47Å; L365-L376 HydrophobicContact CD1-CD1 3.34Å
366	K	89.1	Confident	91.4	Very high	101 Å²	101	64.3 Å²	64.3	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-39.3	174.8	-78.2	-69.8	-172.1	173.5	0	112.5	Y362 Y363 W364	Y362-K366 HydrophobicContact CD1-CG 4.18Å; Y362-K366 HydrophobicContact CE1-CG 3.85Å; Y362-K366 WeakPolarHBondContact O-CG 3.42Å; Y362-K366 PolarHBondContact O-N 3.11Å; Y362-K366 WeakPolarHBondContact OH-CE 3.42Å; Y363-K366 PolarHBondContact O-N 2.74Å; Y363-K366 VanDerWaalsContact O-N 3.17Å; W364-K366 VanDerWaalsContact C-N 3.34Å; W364-K366 PolarHBondContact O-N 2.85Å
367	H	87.8	Confident	91.7	Very high	142 Å²	142	60.2 Å²	60.2	66%	0.657	28%	0.281	S	S	*	.	H	α-helix	trans	-74.7	-29.1	177.2	-70.8	80.3	0	0	0	112.3	Y363 W364 Y369	Y363-H367 PolarHBondContact O-N 3.06Å; Y363-H367 PolarHBondContact O-ND1 3.12Å; W364-H367 PolarHBondContact O-N 3.06Å; H367-Y369 PolarHBondContact O-N 3.44Å
368	H	89.3	Confident	91.9	Very high	64 Å²	64	56.5 Å²	56.5	30%	0.296	26%	0.261	S	S	.	.			trans	-100.3	63.6	179.5	-62	83.5	0	0	0	111.6	W364 L365 N370 V371	W364-H368 AromaticContact CD1-CE1 3.73Å; W364-H368 AromaticContact CD1-ND1 3.9Å; W364-H368 AromaticContact CD2-ND1 3.58Å; W364-H368 AromaticContact CE2-CE1 3.55Å; W364-H368 AromaticContact CE2-CG 3.94Å; W364-H368 AromaticContact CE2-ND1 3.45Å; W364-H368 HydrophobicContact CE3-CB 4.41Å; W364-H368 AromaticContact CG-ND1 3.86Å; W364-H368 HydrophobicContact CH2-CB 4.22Å; W364-H368 HydrophobicContact CZ2-CB 4.5Å; W364-H368 AromaticContact CZ2-CG 3.91Å; W364-H368 AromaticContact CZ2-ND1 3.9Å; W364-H368 HydrophobicContact CZ3-CB 4.18Å; W364-H368 AromaticContact NE1-CE1 3.35Å; W364-H368 PolarHBondContact NE1-CE1 3.24Å; W364-H368 VanDerWaalsContact NE1-CE1 3.35Å; W364-H368 AromaticContact NE1-ND1 3.67Å; W364-H368 WeakPolarHBondContact O-CB 3.11Å; W364-H368 PolarHBondContact O-N 3.09Å; W364-H368 PolarHBondContact O-ND1 3.2Å; L365-H368 CarbonylContact O-C 3.54Å; L365-H368 PolarHBondContact O-N 3.24Å; H368-N370 PolarHBondContact O-N 2.83Å; H368-V371 HydrophobicContact CB-CB 4.44Å; H368-V371 HydrophobicContact CB-CG2 3.72Å; H368-V371 WeakPolarHBondContact O-CB 3.09Å; H368-V371 PolarHBondContact O-N 3.11Å
369	Y	87.3	Confident	92.1	Very high	184 Å²	184	60.4 Å²	60.4	72%	0.722	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.2	-176	62.8	-92.2	0	0	0	115.3	H367 V371	H367-Y369 PolarHBondContact O-N 3.44Å; Y369-V371 VanDerWaalsContact C-N 3.3Å
370	N	88.3	Confident	92.2	Very high	108 Å²	108	62.6 Å²	62.6	58%	0.578	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-10.9	175.8	-68.7	-40.2	0	0	0	113.4	H368 H372	H368-N370 PolarHBondContact O-N 2.83Å; N370-H372 PolarHBondContact O-N 3.32Å
371	V	92.9	Very high	92.3	Very high	11 Å²	11	62.7 Å²	62.7	7%	0.067	30%	0.298	C	S	.	.			trans	-85.8	111.8	178.6	-177.5	0	0	0	0	109.1	L342 K343 L345 W364 L365 H368 Y369	L342-V371 HydrophobicContact CB-CG2 4.35Å; L342-V371 HydrophobicContact CD2-CG1 4.27Å; L342-V371 HydrophobicContact CG-CG1 4.45Å; L342-V371 VanDerWaalsContact O-CG2 3.28Å; L342-V371 WeakPolarHBondContact O-CG2 3.25Å; K343-V371 CarbonylContact O-C 3.41Å; K343-V371 WeakPolarHBondContact O-CA 3.36Å; L345-V371 HydrophobicContact CB-CG1 3.94Å; W364-V371 HydrophobicContact CH2-CG2 3.86Å; W364-V371 HydrophobicContact CZ3-CB 4.4Å; W364-V371 HydrophobicContact CZ3-CG1 4.24Å; W364-V371 HydrophobicContact CZ3-CG2 4.01Å; L365-V371 HydrophobicContact CD2-CG1 4.19Å; H368-V371 HydrophobicContact CB-CB 4.44Å; H368-V371 HydrophobicContact CB-CG2 3.72Å; H368-V371 WeakPolarHBondContact O-CB 3.09Å; H368-V371 PolarHBondContact O-N 3.11Å; Y369-V371 VanDerWaalsContact C-N 3.3Å
372	H	94.4	Very high	92.2	Very high	124 Å²	124	68.8 Å²	68.8	57%	0.574	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.9	167.9	-61.7	-65.7	0	0	0	110	K343 L344 L345 N370	K343-H372 PolarHBondContact O-N 3.16Å; L344-H372 WeakPolarHBondContact CA-O 3.16Å; L344-H372 HydrophobicContact CD2-CB 3.87Å; L345-H372 PolarHBondContact N-O 2.97Å; N370-H372 PolarHBondContact O-N 3.32Å
373	F	94.6	Very high	92.2	Very high	84 Å²	84	73.6 Å²	73.6	37%	0.368	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	163.2	178.5	70.1	-84.6	0	0	0	112.3	L345 L365 L376	L345-F373 HydrophobicContact CB-CB 4.24Å; L345-F373 WeakPolarHBondContact O-CA 3.38Å; L345-F373 WeakPolarHBondContact O-CB 3.46Å; L365-F373 HydrophobicContact CB-CD1 4.4Å; L365-F373 HydrophobicContact CB-CE1 4.2Å; L365-F373 HydrophobicContact CD1-CD1 4Å; L365-F373 HydrophobicContact CD1-CD2 3.94Å; L365-F373 HydrophobicContact CD1-CE1 4.14Å; L365-F373 HydrophobicContact CD1-CE2 4.1Å; L365-F373 HydrophobicContact CD1-CG 3.89Å; L365-F373 HydrophobicContact CD1-CZ 4.19Å; L365-F373 HydrophobicContact CD2-CB 4.08Å; L365-F373 HydrophobicContact CD2-CD1 3.68Å; L365-F373 HydrophobicContact CD2-CE1 4.32Å; L365-F373 HydrophobicContact CD2-CG 3.93Å; L365-F373 HydrophobicContact CG-CD1 4.25Å; L365-F373 HydrophobicContact CG-CE1 4.47Å; F373-L376 HydrophobicContact CD2-CD1 3.89Å; F373-L376 HydrophobicContact CD2-CG 4.1Å; F373-L376 HydrophobicContact CE2-CB 4.3Å; F373-L376 HydrophobicContact CE2-CD1 3.68Å; F373-L376 HydrophobicContact CE2-CG 4.13Å
374	N	92.7	Very high	92.4	Very high	46 Å²	46	71.8 Å²	71.8	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.6	170.3	67.1	12.7	0	0	0	112.3	L345 W346 L347 R348	L345-N374 PolarHBondContact O-N 3.39Å; W346-N374 WeakPolarHBondContact CA-OD1 3.37Å; L347-N374 CarbonylContact C-O 3.53Å; L347-N374 WeakPolarHBondContact CA-O 3.37Å; L347-N374 VanDerWaalsContact CB-O 3.24Å; L347-N374 WeakPolarHBondContact CB-O 3.36Å; L347-N374 PolarHBondContact N-O 3.09Å; R348-N374 HydrophobicContact CG-CB 4.33Å; R348-N374 WeakPolarHBondContact CG-OD1 3.39Å; R348-N374 PolarHBondContact N-O 3.07Å; R348-N374 PolarHBondContact NE-ND2 3.36Å
375	G	88.3	Confident	92.4	Very high	26 Å²	26	75.9 Å²	75.9	27%	0.268	36%	0.361	S	S	.	.			trans	87.3	19	168.3	0	0	0	0	0	117.3	R348 W352 E377	R348-G375 VanDerWaalsContact CG-CA 3.43Å; W352-G375 VanDerWaalsContact CD1-O 3.23Å; W352-G375 PolarHBondContact NE1-O 3.13Å; G375-E377 VanDerWaalsContact C-N 3.33Å; G375-E377 PolarHBondContact O-N 2.01Å; G375-E377 VanDerWaalsContact O-N 3.16Å
376	L	93.4	Very high	92.5	Very high	19 Å²	19	77.6 Å²	77.6	10%	0.099	38%	0.381	C	S	.	.			trans	-85.2	72.7	171.7	-75.1	-173	0	0	0	112.2	L347 W352 L361 L365 F373 S388 V389	L347-L376 HydrophobicContact CB-CD2 4.43Å; L347-L376 HydrophobicContact CD1-CD1 4.42Å; L347-L376 HydrophobicContact CD1-CD2 3.77Å; L347-L376 HydrophobicContact CD1-CG 3.99Å; W352-L376 HydrophobicContact CD2-CD2 4.04Å; W352-L376 HydrophobicContact CG-CD2 4.28Å; W352-L376 HydrophobicContact CZ2-CD2 4.4Å; L361-L376 HydrophobicContact CD2-CD2 3.77Å; L361-L376 HydrophobicContact CG-CD1 4.49Å; L361-L376 HydrophobicContact CG-CD2 4.45Å; L365-L376 HydrophobicContact CD1-CD1 3.34Å; F373-L376 HydrophobicContact CD2-CD1 3.89Å; F373-L376 HydrophobicContact CD2-CG 4.1Å; F373-L376 HydrophobicContact CE2-CB 4.3Å; F373-L376 HydrophobicContact CE2-CD1 3.68Å; F373-L376 HydrophobicContact CE2-CG 4.13Å; L376-S388 WeakPolarHBondContact O-CA 3.25Å; L376-V389 HydrophobicContact CB-CB 4.16Å; L376-V389 HydrophobicContact CB-CG2 3.89Å; L376-V389 HydrophobicContact CD2-CG2 4.35Å; L376-V389 PolarHBondContact O-N 2.86Å
377	E	95.1	Very high	92.7	Very high	79 Å²	79	76.4 Å²	76.4	37%	0.369	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-114.7	127.1	173.7	-172.1	-167.2	121.8	0	0	109.7	G375 K379 W387	G375-E377 VanDerWaalsContact C-N 3.33Å; G375-E377 PolarHBondContact O-N 2.01Å; G375-E377 VanDerWaalsContact O-N 3.16Å; E377-K379 PolarHBondContact O-N 3.23Å; E377-K379 IonicContact OE1-NZ 3.62Å; E377-K379 PolarHBondContact OE1-NZ 3.1Å; E377-W387 CarbonylContact C-O 3.56Å; E377-W387 WeakPolarHBondContact CA-O 3.31Å
378	C	96.4	Very high	93.1	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.361	C	S	.	.			trans	-60.6	127.7	176.9	-58.7	0	0	0	0	110.6	C354 Y384 K385 G386 W387	C354-C378 HydrophobicContact CB-CB 3.77Å; C354-C378 WeakPolarHBondContact CB-SG 3.4Å; C354-C378 VanDerWaalsContact SG-CA 3.53Å; C354-C378 WeakPolarHBondContact SG-CB 2.99Å; C354-C378 CovalentContact SG-SG 2.01Å; C354-C378 PolarHBondContact SG-SG 2.76Å; C378-Y384 WeakPolarHBondContact CB-O 3Å; C378-K385 CarbonylContact O-C 3.53Å; C378-K385 WeakPolarHBondContact O-CA 3.32Å; C378-G386 PolarHBondContact O-N 3.44Å; C378-W387 WeakPolarHBondContact CB-O 3.41Å; C378-W387 PolarHBondContact N-O 3.18Å; C378-W387 PolarHBondContact SG-O 3.34Å; C378-W387 VanDerWaalsContact SG-O 3.39Å
379	K	96.5	Very high	93.3	Very high	82 Å²	82	69.3 Å²	69.3	36%	0.357	35%	0.347	S	S	.	.			trans	-105.3	-28.7	170.9	-64.8	-54.3	-175	-169.4	0	112.7	P351 W352 E377	P351-K379 HydrophobicContact CB-CB 4.49Å; W352-K379 PolarHBondContact O-N 3.24Å; E377-K379 PolarHBondContact O-N 3.23Å; E377-K379 IonicContact OE1-NZ 3.62Å; E377-K379 PolarHBondContact OE1-NZ 3.1Å
380	T	93.5	Very high	93.4	Very high	53 Å²	53	61.2 Å²	61.2	33%	0.325	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-137.8	157.1	175.2	58.3	0	0	0	0	110	W352 R353 C354	W352-T380 PolarHBondContact O-N 3.28Å; R353-T380 CarbonylContact C-O 3.6Å; R353-T380 WeakPolarHBondContact CA-O 3.33Å; R353-T380 WeakPolarHBondContact CA-OG1 3.04Å; R353-T380 WeakPolarHBondContact CB-OG1 3.24Å; R353-T380 WeakPolarHBondContact CG-OG1 3.49Å; C354-T380 PolarHBondContact N-O 3.19Å
381	P	95	Very high	93.6	Very high	46 Å²	46	60.3 Å²	60.3	30%	0.299	31%	0.31	S	S	.	.	S	Bend	cis	-70.7	173.5	-12.9	38.1	-41	0	0	0	111.8	C354 E383 Y384 K385	C354-P381 WeakPolarHBondContact O-CD 3.27Å; P381-E383 WeakPolarHBondContact CB-OE2 3.47Å; P381-E383 VanDerWaalsContact CG-OE2 3.22Å; P381-E383 WeakPolarHBondContact CG-OE2 3.36Å; P381-E383 PolarHBondContact O-N 3.33Å; P381-Y384 HydrophobicContact CG-CD2 3.82Å; P381-Y384 HydrophobicContact CG-CE2 4.24Å; P381-Y384 PolarHBondContact O-N 2.94Å; P381-K385 PolarHBondContact O-N 3.23Å
382	E	92.8	Very high	93.6	Very high	129 Å²	129	60.2 Å²	60.2	60%	0.603	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.3	-25.7	-170.6	-76.3	-68.3	152.8	0	0	113.1	Y384 K385	E382-Y384 VanDerWaalsContact C-N 3.26Å; E382-Y384 PolarHBondContact O-N 2.83Å; E382-K385 VanDerWaalsContact CD-NZ 3.3Å; E382-K385 PolarHBondContact O-N 2.78Å; E382-K385 IonicContact OE1-NZ 2.73Å; E382-K385 PolarHBondContact OE1-NZ 3.08Å; E382-K385 WeakPolarHBondContact OE2-CD 3.26Å; E382-K385 IonicContact OE2-NZ 3.7Å; E382-K385 PolarHBondContact OE2-NZ 2.03Å
383	E	92.6	Very high	93.4	Very high	133 Å²	133	54.5 Å²	54.5	62%	0.621	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.6	-34.5	178.2	-57.8	78.8	-171.2	0	0	112.2	P381	P381-E383 WeakPolarHBondContact CB-OE2 3.47Å; P381-E383 VanDerWaalsContact CG-OE2 3.22Å; P381-E383 WeakPolarHBondContact CG-OE2 3.36Å; P381-E383 PolarHBondContact O-N 3.33Å
384	Y	94.1	Very high	93.2	Very high	48 Å²	48	56.8 Å²	56.8	19%	0.188	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-107.7	5.2	-177.1	-53.4	-53.7	0	0	0	113	C354 C378 P381 E382 G386 W387 Y392	C354-Y384 HydrophobicContact CB-CD2 4.46Å; C378-Y384 WeakPolarHBondContact CB-O 3Å; P381-Y384 HydrophobicContact CG-CD2 3.82Å; P381-Y384 HydrophobicContact CG-CE2 4.24Å; P381-Y384 PolarHBondContact O-N 2.94Å; E382-Y384 VanDerWaalsContact C-N 3.26Å; E382-Y384 PolarHBondContact O-N 2.83Å; Y384-G386 PolarHBondContact O-N 3.33Å; Y384-W387 HydrophobicContact CD1-CD2 4.33Å; Y384-W387 HydrophobicContact CD1-CE3 4.01Å; Y384-W387 HydrophobicContact CD1-CH2 4.43Å; Y384-W387 HydrophobicContact CD1-CZ3 4.07Å; Y384-W387 HydrophobicContact CE1-CZ3 4.4Å; Y384-W387 WeakPolarHBondContact O-CB 3.21Å; Y384-W387 PolarHBondContact O-N 3.22Å; Y384-Y392 AromaticContact CD1-CD2 3.92Å; Y384-Y392 HydrophobicContact CD1-CD2 3.92Å; Y384-Y392 AromaticContact CD2-CD2 3.61Å; Y384-Y392 HydrophobicContact CD2-CD2 3.61Å; Y384-Y392 AromaticContact CD2-CE2 3.67Å; Y384-Y392 HydrophobicContact CD2-CE2 3.67Å; Y384-Y392 HydrophobicContact CE1-CD2 4.03Å; Y384-Y392 HydrophobicContact CE1-CE2 4.38Å; Y384-Y392 AromaticContact CE2-CD2 3.75Å; Y384-Y392 HydrophobicContact CE2-CD2 3.75Å; Y384-Y392 AromaticContact CE2-CE2 3.45Å; Y384-Y392 HydrophobicContact CE2-CE2 3.45Å; Y384-Y392 VanDerWaalsContact CE2-CE2 3.45Å; Y384-Y392 AromaticContact CG-CD2 3.72Å; Y384-Y392 HydrophobicContact CG-CD2 3.72Å; Y384-Y392 HydrophobicContact CG-CE2 4.26Å; Y384-Y392 AromaticContact CZ-CD2 3.95Å; Y384-Y392 AromaticContact CZ-CE2 3.84Å
385	K	94.5	Very high	92.9	Very high	106 Å²	106	55.4 Å²	55.4	46%	0.461	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	131.9	-176.6	-174.2	175.8	-178.5	176.6	0	111.8	C378 P381 E382 W387	C378-K385 CarbonylContact O-C 3.53Å; C378-K385 WeakPolarHBondContact O-CA 3.32Å; P381-K385 PolarHBondContact O-N 3.23Å; E382-K385 VanDerWaalsContact CD-NZ 3.3Å; E382-K385 PolarHBondContact O-N 2.78Å; E382-K385 IonicContact OE1-NZ 2.73Å; E382-K385 PolarHBondContact OE1-NZ 3.08Å; E382-K385 WeakPolarHBondContact OE2-CD 3.26Å; E382-K385 IonicContact OE2-NZ 3.7Å; E382-K385 PolarHBondContact OE2-NZ 2.03Å; K385-W387 PolarHBondContact O-N 3.28Å
386	G	93.1	Very high	92.5	Very high	44 Å²	44	58.5 Å²	58.5	45%	0.454	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-5.1	-176.1	0	0	0	0	0	114.5	C378 Y384	C378-G386 PolarHBondContact O-N 3.44Å; Y384-G386 PolarHBondContact O-N 3.33Å
387	W	94.6	Very high	91.4	Very high	77 Å²	77	63 Å²	63	29%	0.292	30%	0.303	S	S	.	.			trans	-75.2	146.6	174.4	-69.4	30.5	0	0	0	109.9	E377 C378 Y384 K385 K391	E377-W387 CarbonylContact C-O 3.56Å; E377-W387 WeakPolarHBondContact CA-O 3.31Å; C378-W387 WeakPolarHBondContact CB-O 3.41Å; C378-W387 PolarHBondContact N-O 3.18Å; C378-W387 PolarHBondContact SG-O 3.34Å; C378-W387 VanDerWaalsContact SG-O 3.39Å; Y384-W387 HydrophobicContact CD1-CD2 4.33Å; Y384-W387 HydrophobicContact CD1-CE3 4.01Å; Y384-W387 HydrophobicContact CD1-CH2 4.43Å; Y384-W387 HydrophobicContact CD1-CZ3 4.07Å; Y384-W387 HydrophobicContact CE1-CZ3 4.4Å; Y384-W387 WeakPolarHBondContact O-CB 3.21Å; Y384-W387 PolarHBondContact O-N 3.22Å; K385-W387 PolarHBondContact O-N 3.28Å; W387-K391 HydrophobicContact CB-CD 4.35Å; W387-K391 HydrophobicContact CD2-CD 3.73Å; W387-K391 HydrophobicContact CD2-CG 4.31Å; W387-K391 HydrophobicContact CE3-CB 4.37Å; W387-K391 HydrophobicContact CE3-CD 3.65Å; W387-K391 HydrophobicContact CE3-CG 3.71Å; W387-K391 HydrophobicContact CG-CD 4.07Å; W387-K391 HydrophobicContact CZ3-CD 4.2Å; W387-K391 HydrophobicContact CZ3-CG 4.13Å
388	S	94.9	Very high	90	Very high	56 Å²	56	66.5 Å²	66.5	39%	0.392	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-67.4	143.4	164	63.4	0	0	0	0	109.3	L376 G390 K391 Y392	L376-S388 WeakPolarHBondContact O-CA 3.25Å; S388-G390 PolarHBondContact O-N 3.01Å; S388-K391 WeakPolarHBondContact O-CA 3.27Å; S388-K391 WeakPolarHBondContact O-CB 3.32Å; S388-K391 PolarHBondContact O-N 3.35Å; S388-K391 WeakPolarHBondContact OG-CB 3.46Å; S388-K391 PolarHBondContact OG-N 3.23Å; S388-Y392 PolarHBondContact O-N 3.27Å; S388-Y392 VanDerWaalsContact O-N 3.14Å
389	V	93.6	Very high	88	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-55.2	-38.2	178.2	172	0	0	0	0	111.3	I358 Y362 L376 K391 Y392 I393	I358-V389 HydrophobicContact CG1-CG1 3.74Å; I358-V389 HydrophobicContact CG1-CG2 4.09Å; I358-V389 HydrophobicContact CG2-CG1 3.96Å; Y362-V389 HydrophobicContact CD2-CG1 4.26Å; L376-V389 HydrophobicContact CB-CB 4.16Å; L376-V389 HydrophobicContact CB-CG2 3.89Å; L376-V389 HydrophobicContact CD2-CG2 4.35Å; L376-V389 PolarHBondContact O-N 2.86Å; V389-K391 VanDerWaalsContact C-N 3.3Å; V389-K391 PolarHBondContact O-N 2.84Å; V389-Y392 WeakPolarHBondContact O-CB 3.36Å; V389-Y392 PolarHBondContact O-N 3.31Å; V389-I393 HydrophobicContact CG1-CD1 3.79Å; V389-I393 HydrophobicContact CG1-CG1 4.46Å; V389-I393 WeakPolarHBondContact O-CG1 3.48Å; V389-I393 PolarHBondContact O-N 3.38Å
390	G	90.8	Very high	85.6	Confident	13 Å²	13	72.8 Å²	72.8	13%	0.134	36%	0.358	C	S	.	.	H	α-helix	trans	-67.8	-23.8	175.9	0	0	0	0	0	114.8	S388 R394	S388-G390 PolarHBondContact O-N 3.01Å; G390-R394 WeakPolarHBondContact O-CG 3.49Å; G390-R394 PolarHBondContact O-N 3.44Å; G390-R394 PolarHBondContact O-NE 3.05Å
391	K	92	Very high	83.2	Confident	89 Å²	89	75.3 Å²	75.3	39%	0.387	38%	0.375	S	S	.	.	H	α-helix	trans	-72.8	-47.1	169.8	-177.3	-173.8	173.7	-167.9	0	110.3	W387 S388 V389 I393 R394 S395	W387-K391 HydrophobicContact CB-CD 4.35Å; W387-K391 HydrophobicContact CD2-CD 3.73Å; W387-K391 HydrophobicContact CD2-CG 4.31Å; W387-K391 HydrophobicContact CE3-CB 4.37Å; W387-K391 HydrophobicContact CE3-CD 3.65Å; W387-K391 HydrophobicContact CE3-CG 3.71Å; W387-K391 HydrophobicContact CG-CD 4.07Å; W387-K391 HydrophobicContact CZ3-CD 4.2Å; W387-K391 HydrophobicContact CZ3-CG 4.13Å; S388-K391 WeakPolarHBondContact O-CA 3.27Å; S388-K391 WeakPolarHBondContact O-CB 3.32Å; S388-K391 PolarHBondContact O-N 3.35Å; S388-K391 WeakPolarHBondContact OG-CB 3.46Å; S388-K391 PolarHBondContact OG-N 3.23Å; V389-K391 VanDerWaalsContact C-N 3.3Å; V389-K391 PolarHBondContact O-N 2.84Å; K391-I393 VanDerWaalsContact C-N 3.32Å; K391-I393 PolarHBondContact O-N 3.08Å; K391-R394 PolarHBondContact O-N 3.14Å; K391-S395 PolarHBondContact O-N 3.15Å; K391-S395 VanDerWaalsContact O-N 3.11Å; K391-S395 PolarHBondContact O-OG 3.21Å
392	Y	92.9	Very high	81.1	Confident	9 Å²	9	82.6 Å²	82.6	4%	0.035	40%	0.402	C	S	.	.	H	α-helix	trans	-55.8	-45.3	176.7	162.6	-107.5	0	0	0	112.3	C354 D355 I358 H359 Y384 S388 V389 R394 S395 Y396	C354-Y392 HydrophobicContact CB-CD1 3.67Å; C354-Y392 HydrophobicContact CB-CD2 4.11Å; C354-Y392 HydrophobicContact CB-CE1 4Å; C354-Y392 HydrophobicContact CB-CE2 4.42Å; C354-Y392 HydrophobicContact CB-CG 3.74Å; D355-Y392 VanDerWaalsContact CA-OH 3.28Å; D355-Y392 WeakPolarHBondContact CA-OH 2.93Å; I358-Y392 HydrophobicContact CG2-CD1 4.02Å; I358-Y392 HydrophobicContact CG2-CE1 3.84Å; H359-Y392 AromaticContact CE1-CE1 3.83Å; Y384-Y392 AromaticContact CD1-CD2 3.92Å; Y384-Y392 HydrophobicContact CD1-CD2 3.92Å; Y384-Y392 AromaticContact CD2-CD2 3.61Å; Y384-Y392 HydrophobicContact CD2-CD2 3.61Å; Y384-Y392 AromaticContact CD2-CE2 3.67Å; Y384-Y392 HydrophobicContact CD2-CE2 3.67Å; Y384-Y392 HydrophobicContact CE1-CD2 4.03Å; Y384-Y392 HydrophobicContact CE1-CE2 4.38Å; Y384-Y392 AromaticContact CE2-CD2 3.75Å; Y384-Y392 HydrophobicContact CE2-CD2 3.75Å; Y384-Y392 AromaticContact CE2-CE2 3.45Å; Y384-Y392 HydrophobicContact CE2-CE2 3.45Å; Y384-Y392 VanDerWaalsContact CE2-CE2 3.45Å; Y384-Y392 AromaticContact CG-CD2 3.72Å; Y384-Y392 HydrophobicContact CG-CD2 3.72Å; Y384-Y392 HydrophobicContact CG-CE2 4.26Å; Y384-Y392 AromaticContact CZ-CD2 3.95Å; Y384-Y392 AromaticContact CZ-CE2 3.84Å; S388-Y392 PolarHBondContact O-N 3.27Å; S388-Y392 VanDerWaalsContact O-N 3.14Å; V389-Y392 WeakPolarHBondContact O-CB 3.36Å; V389-Y392 PolarHBondContact O-N 3.31Å; Y392-R394 PolarHBondContact O-N 3.4Å; Y392-S395 WeakPolarHBondContact CA-OG 3.49Å; Y392-S395 PolarHBondContact O-N 3Å; Y392-S395 PolarHBondContact O-OG 3.44Å; Y392-Y396 WeakPolarHBondContact O-CB 3.43Å; Y392-Y396 PolarHBondContact O-N 3.07Å
393	I	90.6	Very high	79	Confident	5 Å²	5	83.1 Å²	83.1	3%	0.026	41%	0.409	C	S	.	.	H	α-helix	trans	-66	-39.3	-178.7	-71.2	169.5	0	0	0	111.5	I358 Y362 V389 K391 Y396 Y397	I358-I393 HydrophobicContact CG2-CD1 4.47Å; Y362-I393 HydrophobicContact CD1-CB 4.36Å; Y362-I393 HydrophobicContact CD1-CD1 3.25Å; Y362-I393 HydrophobicContact CD1-CG1 4.37Å; Y362-I393 HydrophobicContact CD1-CG2 4.03Å; Y362-I393 HydrophobicContact CD2-CD1 3.85Å; Y362-I393 HydrophobicContact CE1-CB 4.27Å; Y362-I393 HydrophobicContact CE1-CD1 3.97Å; Y362-I393 HydrophobicContact CE1-CG2 3.87Å; Y362-I393 HydrophobicContact CG-CD1 3.14Å; Y362-I393 HydrophobicContact CG-CG1 4.49Å; V389-I393 HydrophobicContact CG1-CD1 3.79Å; V389-I393 HydrophobicContact CG1-CG1 4.46Å; V389-I393 WeakPolarHBondContact O-CG1 3.48Å; V389-I393 PolarHBondContact O-N 3.38Å; K391-I393 VanDerWaalsContact C-N 3.32Å; K391-I393 PolarHBondContact O-N 3.08Å; I393-Y396 WeakPolarHBondContact O-CB 3.4Å; I393-Y396 PolarHBondContact O-N 3.01Å; I393-Y397 HydrophobicContact CG2-CD2 4.18Å; I393-Y397 HydrophobicContact CG2-CE2 3.92Å; I393-Y397 WeakPolarHBondContact O-CD2 3.25Å; I393-Y397 PolarHBondContact O-N 3.5Å
394	R	89.1	Confident	76.7	Confident	131 Å²	131	86.2 Å²	86.2	49%	0.494	42%	0.42	S	S	.	.	H	α-helix	trans	-61	-47	174.4	-75.9	-179.5	-73	162.2	-4.6	111.8	G390 K391 Y392 Y396 Y397 E398	G390-R394 WeakPolarHBondContact O-CG 3.49Å; G390-R394 PolarHBondContact O-N 3.44Å; G390-R394 PolarHBondContact O-NE 3.05Å; K391-R394 PolarHBondContact O-N 3.14Å; Y392-R394 PolarHBondContact O-N 3.4Å; R394-Y396 VanDerWaalsContact C-N 3.3Å; R394-Y396 PolarHBondContact O-N 2.93Å; R394-Y397 PolarHBondContact O-N 3.33Å; R394-E398 WeakPolarHBondContact O-CG 3.26Å; R394-E398 PolarHBondContact O-N 2.85Å
395	S	86.3	Confident	74.2	Confident	18 Å²	18	91.8 Å²	91.8	13%	0.126	45%	0.453	C	S	.	.	H	α-helix	trans	-64.3	-33.5	177.6	52.7	0	0	0	0	113.2	K391 Y392 Y397 E398 E399	K391-S395 PolarHBondContact O-N 3.15Å; K391-S395 VanDerWaalsContact O-N 3.11Å; K391-S395 PolarHBondContact O-OG 3.21Å; Y392-S395 WeakPolarHBondContact CA-OG 3.49Å; Y392-S395 PolarHBondContact O-N 3Å; Y392-S395 PolarHBondContact O-OG 3.44Å; S395-Y397 VanDerWaalsContact C-N 3.26Å; S395-Y397 PolarHBondContact O-N 2.8Å; S395-E398 PolarHBondContact O-N 3.14Å; S395-E398 VanDerWaalsContact O-N 3.13Å; S395-E399 PolarHBondContact O-N 2.85Å; S395-E399 VanDerWaalsContact O-N 3.11Å
396	Y	81.3	Confident	71.7	Confident	91 Å²	91	91.7 Å²	91.7	36%	0.357	46%	0.463	S	S	.	.	H	α-helix	trans	-60.7	-35.5	177.6	-175.2	-94.8	0	0	0	112.3	H359 Y392 I393 R394	H359-Y396 AromaticContact NE2-CD1 3.56Å; H359-Y396 AromaticContact NE2-CE1 3.93Å; H359-Y396 AromaticContact NE2-CG 3.96Å; Y392-Y396 WeakPolarHBondContact O-CB 3.43Å; Y392-Y396 PolarHBondContact O-N 3.07Å; I393-Y396 WeakPolarHBondContact O-CB 3.4Å; I393-Y396 PolarHBondContact O-N 3.01Å; R394-Y396 VanDerWaalsContact C-N 3.3Å; R394-Y396 PolarHBondContact O-N 2.93Å
397	Y	69.5	Low	69.2	Low	112 Å²	112	94.7 Å²	94.7	44%	0.439	48%	0.483	S	S	.	.	H	α-helix	trans	-84.1	-20.1	175.4	-71.2	-72.3	0	0	0	113.9	Y363 I393 R394 S395	Y363-Y397 WeakPolarHBondContact OH-CE2 3.36Å; Y363-Y397 VanDerWaalsContact OH-CZ 3.22Å; Y363-Y397 PolarHBondContact OH-OH 3.04Å; I393-Y397 HydrophobicContact CG2-CD2 4.18Å; I393-Y397 HydrophobicContact CG2-CE2 3.92Å; I393-Y397 WeakPolarHBondContact O-CD2 3.25Å; I393-Y397 PolarHBondContact O-N 3.5Å; R394-Y397 PolarHBondContact O-N 3.33Å; S395-Y397 VanDerWaalsContact C-N 3.26Å; S395-Y397 PolarHBondContact O-N 2.8Å
398	E	66.8	Low	66.4	Low	153 Å²	153	100.9 Å²	100.9	72%	0.715	51%	0.508	S	S	*	.	H	α-helix	trans	-72.9	-30.4	172.1	-72	172.4	-176.8	0	0	112.1	R394 S395 C400	R394-E398 WeakPolarHBondContact O-CG 3.26Å; R394-E398 PolarHBondContact O-N 2.85Å; S395-E398 PolarHBondContact O-N 3.14Å; S395-E398 VanDerWaalsContact O-N 3.13Å; E398-C400 VanDerWaalsContact C-N 3.33Å
399	E	53.9	Low	63.7	Low	141 Å²	141	103.7 Å²	103.7	66%	0.659	52%	0.524	S	S	*	.	S	Bend	trans	-80.7	-10.2	175.4	-70.6	-176.6	172.5	0	0	113.8	S395	S395-E399 PolarHBondContact O-N 2.85Å; S395-E399 VanDerWaalsContact O-N 3.11Å
400	C	45	Very low	61.2	Low	74 Å²	74	113.3 Å²	113.3	50%	0.5	57%	0.569	S	S	.	*	S	Bend	trans	-78.1	121.4	176	-154.1	0	0	0	0	108.8	E398 K402	E398-C400 VanDerWaalsContact C-N 3.33Å; C400-K402 PolarHBondContact O-N 3.31Å
401	P	42.9	Very low	58.9	Low	106 Å²	106	117.2 Å²	117.2	69%	0.688	60%	0.595	S	S	*	*			trans	-56.7	118.9	-178.1	-20.2	29.6	0	0	0	109.6	D403	P401-D403 PolarHBondContact O-N 3.48Å
402	K	51.5	Low	56.2	Low	199 Å²	199	122.9 Å²	122.9	87%	0.865	62%	0.62	S	S	*	*			trans	-70	28.6	173.4	-68.2	-171.2	177	-175.5	0	112.7	C400	C400-K402 PolarHBondContact O-N 3.31Å
403	D	48.9	Very low	53.8	Low	140 Å²	140	129.4 Å²	129.4	75%	0.749	66%	0.655	S	S	*	*			trans	-109.3	107.3	-175.5	-76.4	-33.1	0	0	0	111.2	P401	P401-D403 PolarHBondContact O-N 3.48Å
404	K	44.9	Very low	51.4	Low	197 Å²	197	138.2 Å²	138.2	86%	0.857	70%	0.696	S	S	*	*			trans	82.2	67.9	163.7	-54.1	-178.3	-177.9	177.4	0	117.3
405	L	41.9	Very low	49.2	Very low	166 Å²	166	138.4 Å²	138.4	87%	0.869	71%	0.707	S	S	*	*			trans	-94.2	133.4	138.1	-73.9	164.6	0	0	0	108	A407	L405-A407 PolarHBondContact O-N 2.72Å
406	P	41.5	Very low	47.1	Very low	104 Å²	104	143.5 Å²	143.5	68%	0.675	74%	0.738	S	S	*	*			trans	-59.9	133.2	175.5	23.6	-30.1	0	0	0	109.4	Y408	P406-Y408 PolarHBondContact O-N 3.16Å
407	A	40.3	Very low	45.4	Very low	106 Å²	106	146.5 Å²	146.5	88%	0.876	76%	0.755	S	S	*	*			trans	-49.2	111.6	-179.3	0	0	0	0	0	111.1	L405	L405-A407 PolarHBondContact O-N 2.72Å
408	Y	34.7	Very low	44.5	Very low	208 Å²	208	147.4 Å²	147.4	82%	0.816	77%	0.768	S	S	*	*			trans	-83.8	146.7	155.6	-90.2	-92.4	0	0	0	108.2	P406 E410	P406-Y408 PolarHBondContact O-N 3.16Å; Y408-E410 PolarHBondContact O-N 3.32Å
409	P	38.4	Very low	43.4	Very low	114 Å²	114	147.2 Å²	147.2	74%	0.74	77%	0.771	S	S	*	*			trans	-61.1	131.9	-171.6	-18.4	30.3	0	0	0	111.9	S411	P409-S411 PolarHBondContact O-N 3.39Å
410	E	42.3	Very low	42.7	Very low	203 Å²	203	147.4 Å²	147.4	95%	0.949	77%	0.772	S	S	*	*			trans	-57.8	98.3	170.8	-69	177.5	169.1	0	0	110.5	Y408	Y408-E410 PolarHBondContact O-N 3.32Å
411	S	41.2	Very low	42.9	Very low	96 Å²	96	149.8 Å²	149.8	67%	0.671	77%	0.771	S	S	*	*			trans	-153.3	119.5	153.2	62.4	0	0	0	0	107.5	P409	P409-S411 PolarHBondContact O-N 3.39Å
412	F	36	Very low	43.2	Very low	208 Å²	208	149 Å²	149	91%	0.912	76%	0.758	S	S	*	*			trans	93.5	60.8	-176.1	-72.3	-98.7	0	0	0	116.1
413	D	42.2	Very low	42.8	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	75%	0.75	S	S	*	*			trans	-122.5	119.1	141	-85.7	-29.8	0	0	0	108.4
414	Q	40.8	Very low	42.6	Very low	190 Å²	190	148.2 Å²	148.2	89%	0.888	75%	0.748	S	S	*	*			trans	-153.2	80.5	150.4	-117.4	174.6	13.1	0	0	109
415	D	42.1	Very low	43	Very low	134 Å²	134	143.7 Å²	143.7	72%	0.717	73%	0.73	S	S	*	*			trans	-65.3	123.2	164.8	-74.3	-40.1	0	0	0	110.6
416	T	42.6	Very low	43.1	Very low	125 Å²	125	143.8 Å²	143.8	77%	0.767	72%	0.718	S	S	*	*			trans	-137.2	10.6	163.6	42.2	0	0	0	0	113.3
417	E	46.5	Very low	43.1	Very low	154 Å²	154	145.1 Å²	145.1	72%	0.72	72%	0.72	S	S	*	*			trans	-97.1	-7.9	-170.6	-68.5	-169.6	163.3	0	0	115.6	D419 E420	E417-D419 VanDerWaalsContact C-N 3.27Å; E417-D419 PolarHBondContact O-N 2.88Å; E417-E420 PolarHBondContact O-N 2.99Å
418	D	49.2	Very low	43.3	Very low	132 Å²	132	148.2 Å²	148.2	71%	0.706	72%	0.716	S	S	*	*	H	α-helix	trans	-65.7	-25.2	-175.1	-82.5	-25.3	0	0	0	114.1
419	D	44.1	Very low	43.5	Very low	148 Å²	148	144.2 Å²	144.2	79%	0.791	71%	0.713	S	S	*	*	H	α-helix	trans	-84.7	-18.1	-179.6	-78	-28.8	0	0	0	114.1	E417	E417-D419 VanDerWaalsContact C-N 3.27Å; E417-D419 PolarHBondContact O-N 2.88Å
420	E	40.5	Very low	43.6	Very low	146 Å²	146	142.6 Å²	142.6	68%	0.682	71%	0.71	S	S	*	*	H	α-helix	trans	-82.5	-25	179.6	-72.8	-159.1	151.1	0	0	113.1	E417 K423 K424	E417-E420 PolarHBondContact O-N 2.99Å; E420-K423 PolarHBondContact O-N 3.18Å; E420-K424 PolarHBondContact O-N 2.89Å
421	W	47.9	Very low	43.2	Very low	123 Å²	123	142.5 Å²	142.5	47%	0.466	71%	0.706	S	S	.	*	H	α-helix	trans	-68	-43.1	-176.3	-176.4	83.1	0	0	0	113.3	K423 H425	W421-K423 VanDerWaalsContact C-N 3.27Å; W421-K423 PolarHBondContact O-N 3.49Å; W421-H425 AromaticContact CE2-CD2 3.97Å; W421-H425 AromaticContact NE1-CD2 3.74Å; W421-H425 AromaticContact NE1-NE2 3.77Å; W421-H425 PolarHBondContact O-CD2 3.05Å
422	E	49.3	Very low	43.1	Very low	90 Å²	90	148 Å²	148	42%	0.421	72%	0.718	S	S	.	*	H	α-helix	trans	-64.1	-31.6	176.9	-87.1	-95.5	157	0	0	112.3	R426	E422-R426 PolarHBondContact O-N 2.93Å; E422-R426 IonicContact OE2-CZ 3.56Å; E422-R426 IonicContact OE2-NE 3.43Å; E422-R426 PolarHBondContact OE2-NE 3.24Å; E422-R426 IonicContact OE2-NH2 2.8Å; E422-R426 PolarHBondContact OE2-NH2 3.2Å
423	K	44.4	Very low	43	Very low	162 Å²	162	146.8 Å²	146.8	70%	0.704	72%	0.715	S	S	*	*	H	α-helix	trans	-77.1	-40.9	-175.2	-136.5	173.7	-174.6	174.9	0	112	E420 W421 H425	E420-K423 PolarHBondContact O-N 3.18Å; W421-K423 VanDerWaalsContact C-N 3.27Å; W421-K423 PolarHBondContact O-N 3.49Å; K423-H425 VanDerWaalsContact C-N 3.29Å; K423-H425 PolarHBondContact O-N 3Å
424	K	43.8	Very low	42.6	Very low	161 Å²	161	145 Å²	145	70%	0.7	71%	0.714	S	S	*	*	H	α-helix	trans	-69.5	-24.4	-177.3	-152.8	173.8	-174.3	176.2	0	113.4	E420	E420-K424 PolarHBondContact O-N 2.89Å
425	H	54.1	Low	42.2	Very low	102 Å²	102	141.7 Å²	141.7	47%	0.472	71%	0.706	S	S	.	*	H	α-helix	trans	-100.6	-11.2	-178	-67.4	-58.6	0	0	0	115.2	W421 K423	W421-H425 AromaticContact CE2-CD2 3.97Å; W421-H425 AromaticContact NE1-CD2 3.74Å; W421-H425 AromaticContact NE1-NE2 3.77Å; W421-H425 PolarHBondContact O-CD2 3.05Å; K423-H425 VanDerWaalsContact C-N 3.29Å; K423-H425 PolarHBondContact O-N 3Å
426	R	44.2	Very low	42	Very low	167 Å²	167	142.4 Å²	142.4	63%	0.63	71%	0.708	S	S	*	*	H	α-helix	trans	-75.4	-35.8	169	-80.3	-176.5	-160.9	-141.4	3.2	113.1	E422 H428 T429	E422-R426 PolarHBondContact O-N 2.93Å; E422-R426 IonicContact OE2-CZ 3.56Å; E422-R426 IonicContact OE2-NE 3.43Å; E422-R426 PolarHBondContact OE2-NE 3.24Å; E422-R426 IonicContact OE2-NH2 2.8Å; E422-R426 PolarHBondContact OE2-NH2 3.2Å; R426-H428 PolarHBondContact O-N 2.77Å; R426-H428 VanDerWaalsContact O-N 3.08Å; R426-T429 PolarHBondContact O-N 3.45Å; R426-T429 VanDerWaalsContact O-N 3.08Å; R426-T429 PolarHBondContact O-OG1 3.25Å
427	D	40.4	Very low	41.7	Very low	133 Å²	133	143 Å²	143	71%	0.711	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-9.8	-171.9	-82.9	-12.5	0	0	0	115.2
428	H	43.5	Very low	41.2	Very low	171 Å²	171	141.1 Å²	141.1	79%	0.792	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	1.6	173.2	-73	-43.1	0	0	0	114.9	R426	R426-H428 PolarHBondContact O-N 2.77Å; R426-H428 VanDerWaalsContact O-N 3.08Å
429	T	40.9	Very low	40.6	Very low	124 Å²	124	142 Å²	142	76%	0.761	71%	0.708	S	S	*	*	S	Bend	trans	-108	3.9	-179.6	56.2	0	0	0	0	115.6	R426	R426-T429 PolarHBondContact O-N 3.45Å; R426-T429 VanDerWaalsContact O-N 3.08Å; R426-T429 PolarHBondContact O-OG1 3.25Å
430	A	39.5	Very low	40.3	Very low	80 Å²	80	141.1 Å²	141.1	66%	0.661	71%	0.708	S	S	*	*			trans	-138.1	75.2	179.7	0	0	0	0	0	114.3
431	K	35	Very low	40.4	Very low	201 Å²	201	140.9 Å²	140.9	87%	0.874	74%	0.744	S	S	*	*			trans	-129.4	79.3	151	-85.9	-175.4	178.9	173.6	0	109.9	Q433	K431-Q433 PolarHBondContact O-N 2.9Å
432	K	38.8	Very low	40	Very low	210 Å²	210	141.8 Å²	141.8	91%	0.913	76%	0.758	S	S	*	*			trans	-68.5	103.9	154.3	-89.2	-178.9	175.2	176.8	0	106.8	S434	K432-S434 PolarHBondContact O-N 2.83Å
433	Q	33.9	Very low	39.5	Very low	184 Å²	184	144.5 Å²	144.5	86%	0.86	78%	0.776	S	S	*	*			trans	-68.4	107.5	165.6	-81.1	176.4	-35.9	0	0	108.5	K431	K431-Q433 PolarHBondContact O-N 2.9Å
434	S	32.3	Very low	39.2	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	78%	0.78	S	S	*	*			trans	-77.3	116.3	162.1	41.5	0	0	0	0	108.6	K432	K432-S434 PolarHBondContact O-N 2.83Å
435	V	33.8	Very low	39	Very low	122 Å²	122	142.5 Å²	142.5	74%	0.739	79%	0.785	S	S	*	*			trans	-82.2	115.6	171.8	178.3	0	0	0	0	107.5	I437	V435-I437 HydrophobicContact CG1-CG1 4.14Å
436	I	37.3	Very low	38	Very low	148 Å²	148	145.1 Å²	145.1	76%	0.759	80%	0.804	S	S	*	*			trans	-87.2	113.3	168.9	-62.2	175	0	0	0	106.9
437	I	36.1	Very low	37.6	Very low	139 Å²	139	143.6 Å²	143.6	71%	0.713	82%	0.816	S	S	*	*			trans	-89	110.9	172	-59.2	174.5	0	0	0	107.2	V435 I439	V435-I437 HydrophobicContact CG1-CG1 4.14Å; I437-I439 HydrophobicContact CG2-CG1 4.28Å
438	T	35.5	Very low	37.4	Very low	113 Å²	113	144.4 Å²	144.4	69%	0.693	82%	0.823	S	S	*	*			trans	-90.6	110.4	168.6	-49	0	0	0	0	108.2	V440	T438-V440 HydrophobicContact CG2-CG2 4.29Å
439	I	37.6	Very low	37	Very low	152 Å²	152	142.3 Å²	142.3	78%	0.779	83%	0.826	S	S	*	*			trans	-80.8	117.1	168.6	-59.9	172.8	0	0	0	106.8	I437	I437-I439 HydrophobicContact CG2-CG1 4.28Å
440	V	38	Very low	36.6	Very low	129 Å²	129	143.8 Å²	143.8	78%	0.782	83%	0.831	S	S	*	*			trans	-100.9	119.7	167.7	-173.7	0	0	0	0	106.6	T438	T438-V440 HydrophobicContact CG2-CG2 4.29Å
441	G	42	Very low	36.4	Very low	141 Å²	141	149.6 Å²	149.6	100%	1.454	85%	0.847	S	S	*	*			trans	-78.7	0	174.1	0	0	0	0	0	113

Retrieved 441 of 441 residues in 294.6 ms (Link to these results)

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