A0A087XJU4_POEFO Loading...

Platelet-derived growth factor D

AlphaFold DB , UniProt , Accession A0A087XJU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	43.3	Very low	224 Å²	224	154.8 Å²	154.8	100%	1.103	81%	0.81	S	S	*	*				0	115.6	0	-67.3	159	66.9	0	0	106.2
2	N	40.8	Very low	43.1	Very low	148 Å²	148	153.8 Å²	153.8	79%	0.791	80%	0.804	S	S	*	*			cis	-154.9	138.2	11.5	-74.9	-29.5	0	0	0	102.7
3	G	39	Very low	43	Very low	71 Å²	71	153.5 Å²	153.5	73%	0.732	80%	0.802	S	S	*	*				100.8	111.4	52.5	0	0	0	0	0	106.6
4	A	49	Very low	42.8	Very low	92 Å²	92	153.7 Å²	153.7	76%	0.76	80%	0.803	S	S	*	*			trans	61.4	86.3	169	0	0	0	0	0	116.1
5	M	47.8	Very low	42.3	Very low	188 Å²	188	154.5 Å²	154.5	93%	0.926	81%	0.807	S	S	*	*	S	Bend	trans	175.5	43.1	138.1	-89	-78.4	-119.7	0	0	111.8
6	V	45.1	Very low	42.2	Very low	117 Å²	117	150.6 Å²	150.6	71%	0.709	81%	0.805	S	S	*	*	S	Bend	trans	-134.2	18.2	159.7	-164.6	0	0	0	0	110.4	Q8	V6-Q8 PolarHBondContact O-N 3.14Å; V6-Q8 VanDerWaalsContact O-N 3.17Å
7	F	45.9	Very low	42	Very low	183 Å²	183	148.5 Å²	148.5	80%	0.803	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	20.5	-177	-122.9	-88.8	0	0	0	113.8
8	Q	46.9	Very low	41.7	Very low	178 Å²	178	149.2 Å²	149.2	83%	0.832	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127	1.6	176.6	-83.8	-156.1	-29.9	0	0	115.4	V6	V6-Q8 PolarHBondContact O-N 3.14Å; V6-Q8 VanDerWaalsContact O-N 3.17Å
9	M	44.1	Very low	41.1	Very low	148 Å²	148	147.4 Å²	147.4	73%	0.729	80%	0.801	S	S	*	*	S	Bend	trans	-128.1	12.9	-176.1	-90.7	-158.7	82.1	0	0	116.5
10	W	38.8	Very low	40.9	Very low	218 Å²	218	150.6 Å²	150.6	83%	0.826	81%	0.807	S	S	*	*	S	Bend	trans	-129.7	6.7	174.8	-86.2	69.4	0	0	0	115.1
11	I	42.6	Very low	40.4	Very low	136 Å²	136	149.8 Å²	149.8	70%	0.697	81%	0.807	S	S	*	*	S	Bend	trans	-88.2	-5.5	168.4	-70.6	176.7	0	0	0	112
12	I	41.8	Very low	40.1	Very low	143 Å²	143	142.6 Å²	142.6	73%	0.733	79%	0.79	S	S	*	*	S	Bend	trans	-94	-2.9	-176.1	-59.7	177.6	0	0	0	112.8
13	L	40.8	Very low	39.4	Very low	149 Å²	149	145.2 Å²	145.2	78%	0.78	80%	0.795	S	S	*	*	S	Bend	trans	-115.5	13.2	-173.5	-112.8	121.4	0	0	0	116.6
14	L	40.1	Very low	38.8	Very low	157 Å²	157	146.4 Å²	146.4	82%	0.822	80%	0.797	S	S	*	*	S	Bend	trans	-129.9	20.3	-179.5	-112	161.5	0	0	0	116.3
15	L	36.5	Very low	37.7	Very low	165 Å²	165	151 Å²	151	86%	0.864	80%	0.803	S	S	*	*			trans	-130.7	42.6	167.2	-75.9	168.9	0	0	0	111.8	T17	L15-T17 PolarHBondContact O-N 3Å; L15-T17 VanDerWaalsContact O-N 3.17Å
16	A	39.3	Very low	36.8	Very low	93 Å²	93	148.3 Å²	148.3	77%	0.769	80%	0.797	S	S	*	*			trans	-80.2	75.7	159	0	0	0	0	0	108.9
17	T	39.6	Very low	35.9	Very low	114 Å²	114	147 Å²	147	70%	0.699	80%	0.798	S	S	*	*	S	Bend	trans	-174.1	136.8	147.5	38.4	0	0	0	0	109.3	L15	L15-T17 PolarHBondContact O-N 3Å; L15-T17 VanDerWaalsContact O-N 3.17Å
18	L	37.1	Very low	35.1	Very low	162 Å²	162	145.8 Å²	145.8	85%	0.848	80%	0.8	S	S	*	*			trans	72.9	99.9	177.1	-58	129.3	0	0	0	113.9
19	S	30.5	Very low	34.2	Very low	114 Å²	114	141.5 Å²	141.5	80%	0.797	80%	0.795	S	S	*	*				-162.7	124.8	75	-64.1	0	0	0	0	111.6	V21	S19-V21 PolarHBondContact O-N 3.47Å
20	K	36.1	Very low	33.3	Very low	212 Å²	212	143.8 Å²	143.8	92%	0.922	80%	0.801	S	S	*	*			trans	-62.6	119.4	163.5	-102.5	172.3	170.7	173.1	0	109.1
21	V	30.8	Very low	32.8	Very low	133 Å²	133	139.8 Å²	139.8	81%	0.806	80%	0.8	S	S	*	*			trans	-133.8	102.1	148.1	-179.9	0	0	0	0	106.6	S19 K23	S19-V21 PolarHBondContact O-N 3.47Å; V21-K23 PolarHBondContact O-N 3.13Å
22	G	28.9	Very low	32.1	Very low	73 Å²	73	141.1 Å²	141.1	75%	0.753	81%	0.808	S	S	*	*			trans	-67.8	117.6	174.7	0	0	0	0	0	109.7	A24	G22-A24 PolarHBondContact O-N 3.03Å; G22-A24 VanDerWaalsContact O-N 3.16Å
23	K	26	Very low	31.9	Very low	204 Å²	204	145.3 Å²	145.3	89%	0.887	82%	0.815	S	S	*	*			trans	-71.5	100.2	159.9	-79.2	178.9	175	176.7	0	107.3	V21 Q25	V21-K23 PolarHBondContact O-N 3.13Å; K23-Q25 PolarHBondContact O-N 2.88Å
24	A	26.7	Very low	31.3	Very low	95 Å²	95	141.2 Å²	141.2	79%	0.785	81%	0.808	S	S	*	*			trans	-66.8	112.8	165.1	0	0	0	0	0	107.8	G22 V26	G22-A24 PolarHBondContact O-N 3.03Å; G22-A24 VanDerWaalsContact O-N 3.16Å; A24-V26 PolarHBondContact O-N 3.06Å
25	Q	27.3	Very low	31.4	Very low	189 Å²	189	141.6 Å²	141.6	88%	0.883	81%	0.811	S	S	*	*			trans	-62.9	122.1	166.9	-72.6	-173.5	-32.4	0	0	108.1	K23 A27	K23-Q25 PolarHBondContact O-N 2.88Å; Q25-A27 VanDerWaalsContact C-N 3.33Å; Q25-A27 PolarHBondContact O-N 3.13Å
26	V	27.5	Very low	31.2	Very low	132 Å²	132	138 Å²	138	80%	0.8	80%	0.799	S	S	*	*			trans	-68.9	96.9	167.8	177	0	0	0	0	106.7	A24 N28	A24-V26 PolarHBondContact O-N 3.06Å; V26-N28 PolarHBondContact O-N 2.97Å
27	A	26.8	Very low	31.6	Very low	88 Å²	88	145.1 Å²	145.1	73%	0.727	81%	0.807	S	S	*	*			trans	-64.1	120.1	163.9	0	0	0	0	0	107.3	Q25 A29	Q25-A27 VanDerWaalsContact C-N 3.33Å; Q25-A27 PolarHBondContact O-N 3.13Å; A27-A29 VanDerWaalsContact C-N 3.26Å; A27-A29 PolarHBondContact O-N 3.43Å
28	N	28.6	Very low	31.8	Very low	158 Å²	158	149.5 Å²	149.5	85%	0.845	81%	0.81	S	S	*	*			trans	-61.7	93.1	166.5	-84	-27.6	0	0	0	108.3	V26 K30	V26-N28 PolarHBondContact O-N 2.97Å; N28-K30 PolarHBondContact O-N 3.16Å; N28-K30 VanDerWaalsContact O-N 3.09Å
29	A	27.4	Very low	32.4	Very low	88 Å²	88	146.1 Å²	146.1	73%	0.727	79%	0.793	S	S	*	*			trans	-66	108.7	165.9	0	0	0	0	0	106.9	A27 V31	A27-A29 VanDerWaalsContact C-N 3.26Å; A27-A29 PolarHBondContact O-N 3.43Å; A29-V31 PolarHBondContact O-N 3.42Å
30	K	26.6	Very low	33.8	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.857	79%	0.786	S	S	*	*			trans	-44.5	116	164.4	-81.5	175.3	174.2	175.6	0	107.6	N28 L32	N28-K30 PolarHBondContact O-N 3.16Å; N28-K30 VanDerWaalsContact O-N 3.09Å; K30-L32 PolarHBondContact O-N 2.69Å
31	V	27.2	Very low	34.9	Very low	133 Å²	133	139.6 Å²	139.6	81%	0.806	76%	0.759	S	S	*	*			trans	-63.3	92.9	165	177.5	0	0	0	0	105.8	A29 R33	A29-V31 PolarHBondContact O-N 3.42Å; V31-R33 PolarHBondContact O-N 2.82Å
32	L	28.4	Very low	36.7	Very low	164 Å²	164	135.4 Å²	135.4	86%	0.859	73%	0.729	S	S	*	*			trans	-62.5	98.8	155.5	-81.1	164.8	0	0	0	104.7	K30 G34	K30-L32 PolarHBondContact O-N 2.69Å; L32-G34 PolarHBondContact O-N 2.85Å
33	R	37.3	Very low	39	Very low	232 Å²	232	137 Å²	137	88%	0.875	72%	0.717	S	S	*	*			trans	-65.8	74.6	168.8	-154.6	-178.7	-162.4	-170.5	4.6	106.8	V31 N35	V31-R33 PolarHBondContact O-N 2.82Å; R33-N35 PolarHBondContact O-N 3.49Å
34	G	27.6	Very low	41.3	Very low	62 Å²	62	129.8 Å²	129.8	64%	0.639	69%	0.685	S	S	*	*			trans	-72.3	108.6	170.7	0	0	0	0	0	107.4	L32 S36	L32-G34 PolarHBondContact O-N 2.85Å; G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 2.99Å
35	N	42.2	Very low	44	Very low	165 Å²	165	130.5 Å²	130.5	88%	0.882	68%	0.676	S	S	*	*			trans	-56	98.7	156.9	-89.6	-7.3	0	0	0	107.5	R33	R33-N35 PolarHBondContact O-N 3.49Å
36	S	33.3	Very low	46.5	Very low	89 Å²	89	123.3 Å²	123.3	62%	0.622	64%	0.643	S	S	*	*			trans	-113.8	78.5	169.1	-140.5	0	0	0	0	108	G34 R38	G34-S36 VanDerWaalsContact C-N 3.28Å; G34-S36 PolarHBondContact O-N 2.99Å; S36-R38 PolarHBondContact O-N 3.44Å
37	R	48.3	Very low	49.3	Very low	244 Å²	244	122.7 Å²	122.7	92%	0.921	63%	0.634	S	S	*	*			trans	-66.2	105.2	148.3	-75.8	-176.7	178.4	-176.8	-1	105.2
38	R	43.6	Very low	52.1	Low	205 Å²	205	120 Å²	120	77%	0.774	61%	0.607	S	S	*	*			trans	-98.2	104.4	164.1	-81	-175.3	173.4	-169.2	-3.3	106.6	S36 D40	S36-R38 PolarHBondContact O-N 3.44Å; R38-D40 PolarHBondContact O-N 3.06Å
39	D	48.8	Very low	54.9	Low	91 Å²	91	117.5 Å²	117.5	49%	0.487	60%	0.598	S	S	.	*			trans	-64	113.6	157.8	-89.6	-58.4	0	0	0	107.4	L41 R68 N69	D39-L41 PolarHBondContact O-N 3.5Å; D39-R68 IonicContact OD1-NH2 3.85Å; D39-N69 PolarHBondContact OD1-ND2 2.63Å
40	D	60	Low	57.6	Low	121 Å²	121	113.5 Å²	113.5	65%	0.647	57%	0.565	S	S	*	*			trans	-79.2	77	177	-67.2	-33.3	0	0	0	109.3	R38 Y42	R38-D40 PolarHBondContact O-N 3.06Å; D40-Y42 PolarHBondContact O-N 3.4Å
41	L	60.3	Low	60.4	Low	68 Å²	68	107.3 Å²	107.3	36%	0.356	54%	0.543	S	S	.	.			trans	-58.5	121.5	170.1	-177.8	60.4	0	0	0	109.3	D39 H43 N69	D39-L41 PolarHBondContact O-N 3.5Å; L41-H43 WeakPolarHBondContact CD2-NE2 3.31Å; L41-H43 VanDerWaalsContact CG-NE2 3.3Å; L41-H43 WeakPolarHBondContact CG-NE2 3.44Å; L41-H43 PolarHBondContact O-CD2 3.17Å; L41-H43 VanDerWaalsContact O-CD2 3.27Å; L41-N69 VanDerWaalsContact CD1-C 3.4Å; L41-N69 HydrophobicContact CD1-CB 4.29Å
42	Y	68	Low	62.7	Low	46 Å²	46	104.7 Å²	104.7	18%	0.18	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.7	178	177.4	-95.1	0	0	0	110.3	D40 K44 N69 L70 R71 L72	D40-Y42 PolarHBondContact O-N 3.4Å; Y42-K44 HydrophobicContact CE1-CB 3.93Å; Y42-N69 PolarHBondContact N-O 3.49Å; Y42-L70 HydrophobicContact CD1-CD2 3.81Å; Y42-L70 HydrophobicContact CG-CD2 4.1Å; Y42-L70 CarbonylContact O-C 3.59Å; Y42-R71 PolarHBondContact O-N 3.26Å; Y42-L72 HydrophobicContact CD1-CD2 3.63Å; Y42-L72 HydrophobicContact CE1-CD2 3.43Å; Y42-L72 VanDerWaalsContact CE1-CD2 3.43Å
43	H	77.3	Confident	65	Low	107 Å²	107	102.5 Å²	102.5	50%	0.495	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	138.9	178.3	-70.8	-107.7	0	0	0	111.8	L41 R71	L41-H43 WeakPolarHBondContact CD2-NE2 3.31Å; L41-H43 VanDerWaalsContact CG-NE2 3.3Å; L41-H43 WeakPolarHBondContact CG-NE2 3.44Å; L41-H43 PolarHBondContact O-CD2 3.17Å; L41-H43 VanDerWaalsContact O-CD2 3.27Å; H43-R71 VanDerWaalsContact CA-O 3.31Å; H43-R71 WeakPolarHBondContact CA-O 3.47Å
44	K	74.1	Confident	67.1	Low	51 Å²	51	92.1 Å²	92.1	22%	0.222	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	136	170.4	-164.4	178	-170.6	-172.2	0	112.2	Y42 E46 R71 L72 S73 I229	Y42-K44 HydrophobicContact CE1-CB 3.93Å; K44-E46 HydrophobicContact CD-CG 4.27Å; K44-E46 WeakPolarHBondContact CD-OE1 3.45Å; K44-E46 WeakPolarHBondContact CE-OE1 3.13Å; K44-E46 HydrophobicContact CG-CG 4.37Å; K44-E46 IonicContact NZ-OE1 3.05Å; K44-E46 PolarHBondContact NZ-OE1 3.5Å; K44-R71 PolarHBondContact N-O 3.44Å; K44-L72 HydrophobicContact CB-CD2 3.75Å; K44-L72 CarbonylContact O-C 3.54Å; K44-L72 WeakPolarHBondContact O-CA 3.23Å; K44-S73 PolarHBondContact O-N 2.88Å; K44-I229 HydrophobicContact CD-CG2 3.41Å; K44-I229 VanDerWaalsContact CD-CG2 3.41Å
45	D	83.8	Confident	69.8	Low	111 Å²	111	90.2 Å²	90.2	59%	0.594	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	131.4	170.7	-64.1	-67.1	0	0	0	109.3	S73 R140	D45-S73 CarbonylContact C-O 3.55Å; D45-S73 WeakPolarHBondContact CA-O 3.34Å; D45-S73 WeakPolarHBondContact OD1-CB 3.34Å; D45-R140 IonicContact OD1-CZ 3.35Å; D45-R140 IonicContact OD1-NH2 3.29Å; D45-R140 PolarHBondContact OD1-NH2 3.23Å
46	E	80	Confident	72	Confident	38 Å²	38	84.9 Å²	84.9	18%	0.178	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.6	179.5	-72.6	174.8	-163.9	0	0	110.8	K44 S73 W74 K75 I229	K44-E46 HydrophobicContact CD-CG 4.27Å; K44-E46 WeakPolarHBondContact CD-OE1 3.45Å; K44-E46 WeakPolarHBondContact CE-OE1 3.13Å; K44-E46 HydrophobicContact CG-CG 4.37Å; K44-E46 IonicContact NZ-OE1 3.05Å; K44-E46 PolarHBondContact NZ-OE1 3.5Å; E46-S73 PolarHBondContact N-O 3.1Å; E46-W74 PolarHBondContact OE2-NE1 2.86Å; E46-W74 VanDerWaalsContact OE2-NE1 3.12Å; E46-K75 PolarHBondContact O-N 2.87Å; E46-I229 WeakPolarHBondContact OE1-CD1 3.24Å; E46-I229 WeakPolarHBondContact OE1-CG2 3.29Å
47	N	86.2	Confident	74.6	Confident	118 Å²	118	81 Å²	81	63%	0.631	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.1	170.6	-63.3	-26.1	0	0	0	108.4	K75 L77	N47-K75 CarbonylContact C-O 3.51Å; N47-K75 WeakPolarHBondContact CA-O 3.16Å; N47-K75 WeakPolarHBondContact OD1-CB 3.23Å; N47-K75 WeakPolarHBondContact OD1-CD 3.33Å; N47-L77 HydrophobicContact CB-CD1 4.36Å
48	I	85.9	Confident	76.5	Confident	31 Å²	31	73 Å²	73	16%	0.159	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	179.8	-60.3	176.5	0	0	0	108.1	I57 W74 K75 L76 L77 Y159	I48-I57 HydrophobicContact CD1-CD1 4.24Å; I48-I57 HydrophobicContact CD1-CG1 4.27Å; I48-W74 HydrophobicContact CD1-CB 4.18Å; I48-W74 HydrophobicContact CD1-CG 4.28Å; I48-K75 PolarHBondContact N-O 2.77Å; I48-L76 HydrophobicContact CB-CD2 3.64Å; I48-L76 HydrophobicContact CD1-CD2 3.9Å; I48-L76 HydrophobicContact CG1-CD2 4.25Å; I48-L76 HydrophobicContact CG2-CD2 3.9Å; I48-L76 CarbonylContact O-C 3.54Å; I48-L76 WeakPolarHBondContact O-CA 3.41Å; I48-L77 PolarHBondContact O-N 3.27Å; I48-Y159 HydrophobicContact CG2-CE2 3.95Å; I48-Y159 WeakPolarHBondContact CG2-OH 3.34Å
49	T	87.4	Confident	78.5	Confident	106 Å²	106	63.2 Å²	63.2	65%	0.65	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.1	119.2	170	50.4	0	0	0	0	109.4	L77	T49-L77 CarbonylContact C-O 3.52Å; T49-L77 WeakPolarHBondContact CA-O 3.18Å
50	V	83.9	Confident	80.1	Confident	5 Å²	5	59 Å²	59	3%	0.03	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-78.7	124.3	-179.4	-174	0	0	0	0	109.2	L76 L77 I84 Y159 L161	V50-L76 HydrophobicContact CG2-CB 3.91Å; V50-L76 HydrophobicContact CG2-CD2 4.47Å; V50-L77 PolarHBondContact N-O 2.91Å; V50-I84 HydrophobicContact CG2-CD1 4.3Å; V50-I84 HydrophobicContact CG2-CG1 4.21Å; V50-Y159 HydrophobicContact CG1-CD2 3.99Å; V50-Y159 HydrophobicContact CG1-CE2 4.35Å; V50-Y159 HydrophobicContact CG2-CD2 3.99Å; V50-Y159 HydrophobicContact CG2-CE2 4.25Å; V50-L161 HydrophobicContact CB-CD2 3.97Å; V50-L161 HydrophobicContact CG1-CD2 3.56Å; V50-L161 HydrophobicContact CG1-CG 3.99Å
51	T	83.9	Confident	80.8	Confident	66 Å²	66	56.9 Å²	56.9	41%	0.405	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-102.8	165.3	176.8	72.8	0	0	0	0	110.2	V53 G54	T51-V53 PolarHBondContact O-N 3.03Å; T51-G54 PolarHBondContact O-N 3.09Å
52	P	76.9	Confident	81.3	Confident	78 Å²	78	55.7 Å²	55.7	51%	0.506	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.2	176.9	-27	36.2	0	0	0	114.1	G54 L161	P52-G54 PolarHBondContact O-N 2.9Å; P52-L161 HydrophobicContact CG-CD1 4.17Å
53	V	75.3	Confident	82.2	Confident	119 Å²	119	57.6 Å²	57.6	72%	0.721	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-17	176.9	-172.9	0	0	0	0	112	T51	T51-V53 PolarHBondContact O-N 3.03Å
54	G	83.4	Confident	82.2	Confident	13 Å²	13	60.4 Å²	60.4	13%	0.134	34%	0.335	C	S	.	.			trans	69.3	-156.3	-173.8	0	0	0	0	0	112.8	T51 P52 Y159	T51-G54 PolarHBondContact O-N 3.09Å; P52-G54 PolarHBondContact O-N 2.9Å; G54-Y159 CarbonylContact C-O 3.57Å; G54-Y159 WeakPolarHBondContact CA-O 3.26Å
55	G	84.1	Confident	82.1	Confident	23 Å²	23	60.1 Å²	60.1	24%	0.237	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-172.3	177.9	0	0	0	0	0	112.6	Y158 Y159	G55-Y158 WeakPolarHBondContact O-CA 3.48Å; G55-Y159 PolarHBondContact N-O 3.45Å; G55-Y159 WeakPolarHBondContact O-CD1 3.41Å; G55-Y159 PolarHBondContact O-N 3.16Å
56	V	86.7	Confident	81.7	Confident	53 Å²	53	55 Å²	55	32%	0.321	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	138.4	-174.6	-168.4	0	0	0	0	110.7	F58 K156 I157 Y158 Y159	V56-F58 HydrophobicContact CB-CE2 3.83Å; V56-F58 HydrophobicContact CB-CZ 4.08Å; V56-F58 HydrophobicContact CG1-CD1 4.49Å; V56-F58 HydrophobicContact CG1-CD2 4.13Å; V56-F58 HydrophobicContact CG1-CE1 4.01Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.5Å; V56-K156 HydrophobicContact CG1-CD 4.19Å; V56-K156 HydrophobicContact CG1-CG 3.52Å; V56-I157 CarbonylContact C-O 3.53Å; V56-I157 WeakPolarHBondContact CA-O 3.39Å; V56-Y158 HydrophobicContact CG1-CD1 4.29Å; V56-Y158 HydrophobicContact CG1-CE1 4.39Å; V56-Y158 HydrophobicContact CG2-CD1 3.54Å; V56-Y158 HydrophobicContact CG2-CE1 3.87Å; V56-Y158 HydrophobicContact CG2-CG 4.47Å; V56-Y159 VanDerWaalsContact N-CE1 3.34Å
57	I	89.7	Confident	81.6	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.2	170.2	-64.8	166.1	0	0	0	108.1	I48 W74 L76 I141 F155 K156 I157 Y159	I48-I57 HydrophobicContact CD1-CD1 4.24Å; I48-I57 HydrophobicContact CD1-CG1 4.27Å; I57-W74 HydrophobicContact CD1-CB 3.89Å; I57-W74 HydrophobicContact CD1-CD2 4.35Å; I57-W74 HydrophobicContact CD1-CG 3.98Å; I57-W74 HydrophobicContact CG1-CG 4.49Å; I57-W74 HydrophobicContact CG2-CD2 3.79Å; I57-W74 HydrophobicContact CG2-CE3 3.92Å; I57-W74 HydrophobicContact CG2-CG 4.39Å; I57-W74 HydrophobicContact CG2-CH2 4.01Å; I57-W74 HydrophobicContact CG2-CZ2 3.91Å; I57-W74 HydrophobicContact CG2-CZ3 4.04Å; I57-L76 HydrophobicContact CD1-CD2 4.19Å; I57-I141 HydrophobicContact CD1-CD1 3.65Å; I57-F155 HydrophobicContact CG2-CE2 4.22Å; I57-K156 CarbonylContact O-C 3.58Å; I57-K156 WeakPolarHBondContact O-CA 3.48Å; I57-I157 HydrophobicContact CB-CB 4.47Å; I57-I157 PolarHBondContact N-O 2.98Å; I57-I157 PolarHBondContact O-N 3.15Å; I57-Y159 HydrophobicContact CD1-CD1 4.04Å; I57-Y159 HydrophobicContact CD1-CE1 4.25Å; I57-Y159 HydrophobicContact CG1-CD1 3.96Å; I57-Y159 HydrophobicContact CG1-CE1 3.85Å
58	F	87.9	Confident	81.1	Confident	76 Å²	76	53.2 Å²	53.2	33%	0.333	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151.6	175.6	-59.5	-91.6	0	0	0	110	V56 Y62 K156 Y230	V56-F58 HydrophobicContact CB-CE2 3.83Å; V56-F58 HydrophobicContact CB-CZ 4.08Å; V56-F58 HydrophobicContact CG1-CD1 4.49Å; V56-F58 HydrophobicContact CG1-CD2 4.13Å; V56-F58 HydrophobicContact CG1-CE1 4.01Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.5Å; F58-Y62 AromaticContact CD1-CD1 3.67Å; F58-Y62 HydrophobicContact CD1-CD1 3.67Å; F58-Y62 HydrophobicContact CD1-CE1 4.34Å; F58-Y62 HydrophobicContact CD1-CG 4.14Å; F58-Y62 HydrophobicContact CE1-CD1 4.18Å; F58-K156 HydrophobicContact CD1-CB 4.08Å; F58-K156 HydrophobicContact CD1-CD 4.14Å; F58-K156 HydrophobicContact CD1-CG 3.76Å; F58-K156 HydrophobicContact CE1-CB 4.3Å; F58-K156 HydrophobicContact CE1-CD 3.51Å; F58-K156 HydrophobicContact CE1-CG 3.55Å; F58-K156 HydrophobicContact CZ-CD 4.25Å; F58-K156 HydrophobicContact CZ-CG 4.29Å; F58-Y230 PolarHBondContact O-OH 3.43Å
59	S	85.3	Confident	80.7	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.298	C	S	.	.			trans	-68	155.1	157.8	59.2	0	0	0	0	110.3	N61 Y62 G154 F155 Y230	S59-N61 PolarHBondContact O-N 3.17Å; S59-Y62 VanDerWaalsContact O-CB 3.28Å; S59-Y62 WeakPolarHBondContact O-CB 3.48Å; S59-Y62 PolarHBondContact O-N 3.38Å; S59-G154 VanDerWaalsContact OG-CA 3.27Å; S59-G154 WeakPolarHBondContact OG-CA 3.37Å; S59-F155 PolarHBondContact N-O 2.76Å; S59-F155 PolarHBondContact OG-N 3.42Å; S59-F155 PolarHBondContact OG-O 3.17Å; S59-Y230 VanDerWaalsContact C-OH 3.24Å; S59-Y230 PolarHBondContact O-OH 3.46Å; S59-Y230 VanDerWaalsContact O-OH 3.12Å
60	P	82.1	Confident	80.4	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.019	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	133.7	171.5	-24.2	29.2	0	0	0	115.5	Y62 Y66 P67 L70 L72 Y230	P60-Y62 PolarHBondContact O-N 2.66Å; P60-Y62 VanDerWaalsContact O-N 3.09Å; P60-Y66 WeakPolarHBondContact O-CA 3.38Å; P60-P67 HydrophobicContact CB-CG 4.14Å; P60-L70 HydrophobicContact CB-CD1 4.43Å; P60-L70 HydrophobicContact CG-CD1 3.61Å; P60-L72 HydrophobicContact CG-CD1 3.74Å; P60-Y230 HydrophobicContact CB-CD1 3.14Å; P60-Y230 HydrophobicContact CB-CE1 3.44Å; P60-Y230 VanDerWaalsContact CB-CE1 3.44Å; P60-Y230 HydrophobicContact CB-CG 3.8Å; P60-Y230 HydrophobicContact CG-CD1 3.34Å; P60-Y230 HydrophobicContact CG-CE1 3.31Å; P60-Y230 HydrophobicContact CG-CG 4.44Å
61	N	74.2	Confident	80.5	Confident	76 Å²	76	53.8 Å²	53.8	41%	0.406	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	7.3	178.1	-54.3	-36.4	0	0	0	115.5	S59 K64	S59-N61 PolarHBondContact O-N 3.17Å; N61-K64 CarbonylContact C-O 3.58Å; N61-K64 HydrophobicContact CB-CB 4.15Å; N61-K64 VanDerWaalsContact O-CA 3.3Å; N61-K64 WeakPolarHBondContact O-CA 3.3Å; N61-K64 WeakPolarHBondContact O-CB 3.32Å; N61-K64 PolarHBondContact O-N 3.03Å
62	Y	70.7	Confident	80.7	Confident	42 Å²	42	50.7 Å²	50.7	17%	0.165	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	133.7	-179.2	-174.4	-86.5	0	0	0	111.5	F58 S59 P60 Q91 P153 F155 K156	F58-Y62 AromaticContact CD1-CD1 3.67Å; F58-Y62 HydrophobicContact CD1-CD1 3.67Å; F58-Y62 HydrophobicContact CD1-CE1 4.34Å; F58-Y62 HydrophobicContact CD1-CG 4.14Å; F58-Y62 HydrophobicContact CE1-CD1 4.18Å; S59-Y62 VanDerWaalsContact O-CB 3.28Å; S59-Y62 WeakPolarHBondContact O-CB 3.48Å; S59-Y62 PolarHBondContact O-N 3.38Å; P60-Y62 PolarHBondContact O-N 2.66Å; P60-Y62 VanDerWaalsContact O-N 3.09Å; Y62-Q91 VanDerWaalsContact OH-CB 3.29Å; Y62-Q91 WeakPolarHBondContact OH-CB 3.45Å; Y62-Q91 PolarHBondContact OH-O 3.3Å; Y62-Q91 PolarHBondContact OH-OE1 3.32Å; Y62-P153 VanDerWaalsContact CD2-O 3.23Å; Y62-P153 WeakPolarHBondContact CD2-O 3.02Å; Y62-F155 WeakPolarHBondContact CD2-O 3.49Å; Y62-K156 HydrophobicContact CE1-CB 4.12Å; Y62-K156 HydrophobicContact CE1-CD 4.37Å; Y62-K156 HydrophobicContact CE2-CB 4.38Å
63	P	87.4	Confident	81.4	Confident	86 Å²	86	47.2 Å²	47.2	56%	0.558	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.5	9.2	7.1	35.8	-37	0	0	0	114.6	P153	P63-P153 WeakPolarHBondContact O-CB 3.46Å
64	K	76.6	Confident	82.5	Confident	166 Å²	166	42.1 Å²	42.1	72%	0.722	22%	0.217	S	C	*	.	S	Bend	trans	-78	168.2	171.8	-55.2	179.1	178.7	176.6	0	110.5	N61	N61-K64 CarbonylContact C-O 3.58Å; N61-K64 HydrophobicContact CB-CB 4.15Å; N61-K64 VanDerWaalsContact O-CA 3.3Å; N61-K64 WeakPolarHBondContact O-CA 3.3Å; N61-K64 WeakPolarHBondContact O-CB 3.32Å; N61-K64 PolarHBondContact O-N 3.03Å
65	A	71.8	Confident	83	Confident	45 Å²	45	44.7 Å²	44.7	37%	0.372	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-65.6	136.5	-172	0	0	0	0	0	113.3	A151 K152	A65-A151 HydrophobicContact CB-CB 3.59Å; A65-K152 WeakPolarHBondContact CA-O 3.3Å
66	Y	77	Confident	83.5	Confident	3 Å²	3	43.6 Å²	43.6	1%	0.012	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-72.6	148.2	178	55	-99	0	0	0	112.1	P60 L94 E95 D105 F143 A151 K152	P60-Y66 WeakPolarHBondContact O-CA 3.38Å; Y66-L94 HydrophobicContact CD1-CD2 4.03Å; Y66-L94 HydrophobicContact CE1-CD2 3.34Å; Y66-E95 PolarHBondContact OH-N 2.95Å; Y66-E95 VanDerWaalsContact OH-N 3.16Å; Y66-D105 WeakPolarHBondContact CE2-OD2 3.14Å; Y66-D105 PolarHBondContact OH-OD2 3.41Å; Y66-F143 HydrophobicContact CD1-CZ 4.04Å; Y66-F143 HydrophobicContact CD2-CE1 4.31Å; Y66-F143 AromaticContact CD2-CZ 3.71Å; Y66-F143 HydrophobicContact CD2-CZ 3.71Å; Y66-F143 HydrophobicContact CE1-CZ 4.34Å; Y66-F143 HydrophobicContact CE2-CZ 4.05Å; Y66-F143 HydrophobicContact CG-CE1 4.2Å; Y66-F143 AromaticContact CG-CZ 3.72Å; Y66-F143 HydrophobicContact CG-CZ 3.72Å; Y66-A151 WeakPolarHBondContact O-CB 2.89Å; Y66-K152 WeakPolarHBondContact CD1-O 2.91Å; Y66-K152 HydrophobicContact CE1-CB 3.75Å; Y66-K152 WeakPolarHBondContact CE1-O 3.21Å; Y66-K152 PolarHBondContact N-O 2.73Å; Y66-K152 VanDerWaalsContact N-O 3.15Å
67	P	76.3	Confident	83.8	Confident	27 Å²	27	43.8 Å²	43.8	18%	0.175	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.5	152.6	172	-19.6	30.7	0	0	0	112.8	P60 L70 S145	P60-P67 HydrophobicContact CB-CG 4.14Å; P67-L70 HydrophobicContact CB-CD1 4.04Å; P67-L70 HydrophobicContact CB-CD2 4.22Å; P67-L70 HydrophobicContact CB-CG 4.28Å; P67-L70 HydrophobicContact CG-CD1 4.25Å; P67-L70 WeakPolarHBondContact O-CD1 3.5Å; P67-L70 WeakPolarHBondContact O-CG 3.46Å; P67-S145 PolarHBondContact O-OG 3.21Å; P67-S145 VanDerWaalsContact O-OG 3.06Å
68	R	77	Confident	83.8	Confident	92 Å²	92	44 Å²	44	35%	0.347	22%	0.215	S	C	.	.	S	Bend	trans	-73.8	167.3	168.8	66.6	-173.9	-86.5	-105.5	-0.2	111.6	D39 D146 D147	D39-R68 IonicContact OD1-NH2 3.85Å; R68-D146 WeakPolarHBondContact CB-O 3.47Å; R68-D147 VanDerWaalsContact NE-C 3.33Å; R68-D147 PolarHBondContact NE-O 3.27Å; R68-D147 PolarHBondContact NH2-O 2.66Å
69	N	77.1	Confident	83.9	Confident	19 Å²	19	43.3 Å²	43.3	10%	0.102	22%	0.218	C	C	.	.	S	Bend	trans	56	55.6	174.8	-79.2	-28.8	0	0	0	112.7	D39 L41 Y42 S145 D146 D147	D39-N69 PolarHBondContact OD1-ND2 2.63Å; L41-N69 VanDerWaalsContact CD1-C 3.4Å; L41-N69 HydrophobicContact CD1-CB 4.29Å; Y42-N69 PolarHBondContact N-O 3.49Å; N69-S145 WeakPolarHBondContact CA-O 3.46Å; N69-S145 PolarHBondContact N-O 3.47Å; N69-S145 PolarHBondContact N-OG 2.77Å; N69-D146 PolarHBondContact N-O 2.8Å; N69-D146 PolarHBondContact OD1-O 3.06Å; N69-D147 WeakPolarHBondContact OD1-CA 3.42Å; N69-D147 WeakPolarHBondContact OD1-CB 3.42Å; N69-D147 PolarHBondContact OD1-N 3.21Å
70	L	81.9	Confident	84	Confident	13 Å²	13	49.1 Å²	49.1	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.3	178.3	-57	-178.2	0	0	0	111.8	Y42 P60 P67 F143 N144 S145	Y42-L70 HydrophobicContact CD1-CD2 3.81Å; Y42-L70 HydrophobicContact CG-CD2 4.1Å; Y42-L70 CarbonylContact O-C 3.59Å; P60-L70 HydrophobicContact CB-CD1 4.43Å; P60-L70 HydrophobicContact CG-CD1 3.61Å; P67-L70 HydrophobicContact CB-CD1 4.04Å; P67-L70 HydrophobicContact CB-CD2 4.22Å; P67-L70 HydrophobicContact CB-CG 4.28Å; P67-L70 HydrophobicContact CG-CD1 4.25Å; P67-L70 WeakPolarHBondContact O-CD1 3.5Å; P67-L70 WeakPolarHBondContact O-CG 3.46Å; L70-F143 HydrophobicContact CD1-CE1 4.06Å; L70-N144 CarbonylContact O-C 3.57Å; L70-N144 VanDerWaalsContact O-CA 3.28Å; L70-N144 WeakPolarHBondContact O-CA 3.4Å; L70-S145 WeakPolarHBondContact CB-OG 3.48Å; L70-S145 PolarHBondContact N-O 3.45Å; L70-S145 PolarHBondContact N-OG 3.43Å; L70-S145 PolarHBondContact O-N 2.94Å
71	R	85.5	Confident	84.2	Confident	122 Å²	122	52.9 Å²	52.9	46%	0.46	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	91.1	164.4	-173.3	160.4	-179.5	169.4	1.8	109.6	Y42 H43 K44 F143	Y42-R71 PolarHBondContact O-N 3.26Å; H43-R71 VanDerWaalsContact CA-O 3.31Å; H43-R71 WeakPolarHBondContact CA-O 3.47Å; K44-R71 PolarHBondContact N-O 3.44Å; R71-F143 CarbonylContact C-O 3.33Å; R71-F143 WeakPolarHBondContact CA-O 3.36Å
72	L	87.8	Confident	84.9	Confident	2 Å²	2	52 Å²	52	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.7	179.4	-50.3	-177.3	0	0	0	109.7	Y42 K44 P60 W74 I142 F143	Y42-L72 HydrophobicContact CD1-CD2 3.63Å; Y42-L72 HydrophobicContact CE1-CD2 3.43Å; Y42-L72 VanDerWaalsContact CE1-CD2 3.43Å; K44-L72 HydrophobicContact CB-CD2 3.75Å; K44-L72 CarbonylContact O-C 3.54Å; K44-L72 WeakPolarHBondContact O-CA 3.23Å; P60-L72 HydrophobicContact CG-CD1 3.74Å; L72-W74 HydrophobicContact CB-CH2 3.61Å; L72-W74 HydrophobicContact CB-CZ2 3.92Å; L72-W74 HydrophobicContact CB-CZ3 4.03Å; L72-W74 HydrophobicContact CD1-CH2 3.8Å; L72-W74 HydrophobicContact CD1-CZ2 3.92Å; L72-W74 HydrophobicContact CG-CH2 4.35Å; L72-I142 CarbonylContact O-C 3.42Å; L72-I142 WeakPolarHBondContact O-CA 2.96Å; L72-F143 HydrophobicContact CB-CB 4.44Å; L72-F143 HydrophobicContact CD1-CD1 4.23Å; L72-F143 HydrophobicContact CG-CD1 4.5Å; L72-F143 PolarHBondContact N-O 3.25Å; L72-F143 PolarHBondContact O-N 2.96Å
73	S	92.8	Very high	85.8	Confident	5 Å²	5	52.7 Å²	52.7	4%	0.035	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	137	173.4	-167.5	0	0	0	0	112.7	K44 D45 E46 R140 I141	K44-S73 PolarHBondContact O-N 2.88Å; D45-S73 CarbonylContact C-O 3.55Å; D45-S73 WeakPolarHBondContact CA-O 3.34Å; D45-S73 WeakPolarHBondContact OD1-CB 3.34Å; E46-S73 PolarHBondContact N-O 3.1Å; S73-R140 VanDerWaalsContact OG-CG 3.3Å; S73-R140 WeakPolarHBondContact OG-CG 3.44Å; S73-R140 PolarHBondContact OG-NE 2.85Å; S73-I141 CarbonylContact C-O 3.5Å; S73-I141 WeakPolarHBondContact CA-O 3.39Å; S73-I141 PolarHBondContact OG-O 3.29Å
74	W	96.4	Very high	86.2	Confident	11 Å²	11	48.6 Å²	48.6	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.8	175.9	-57.8	-84.3	0	0	0	109.3	E46 I48 I57 L72 R140 I141 F143 F155	E46-W74 PolarHBondContact OE2-NE1 2.86Å; E46-W74 VanDerWaalsContact OE2-NE1 3.12Å; I48-W74 HydrophobicContact CD1-CB 4.18Å; I48-W74 HydrophobicContact CD1-CG 4.28Å; I57-W74 HydrophobicContact CD1-CB 3.89Å; I57-W74 HydrophobicContact CD1-CD2 4.35Å; I57-W74 HydrophobicContact CD1-CG 3.98Å; I57-W74 HydrophobicContact CG1-CG 4.49Å; I57-W74 HydrophobicContact CG2-CD2 3.79Å; I57-W74 HydrophobicContact CG2-CE3 3.92Å; I57-W74 HydrophobicContact CG2-CG 4.39Å; I57-W74 HydrophobicContact CG2-CH2 4.01Å; I57-W74 HydrophobicContact CG2-CZ2 3.91Å; I57-W74 HydrophobicContact CG2-CZ3 4.04Å; L72-W74 HydrophobicContact CB-CH2 3.61Å; L72-W74 HydrophobicContact CB-CZ2 3.92Å; L72-W74 HydrophobicContact CB-CZ3 4.03Å; L72-W74 HydrophobicContact CD1-CH2 3.8Å; L72-W74 HydrophobicContact CD1-CZ2 3.92Å; L72-W74 HydrophobicContact CG-CH2 4.35Å; W74-R140 CarbonylContact O-C 3.6Å; W74-R140 WeakPolarHBondContact O-CA 3.31Å; W74-I141 HydrophobicContact CE3-CB 4.27Å; W74-I141 HydrophobicContact CE3-CG2 4.12Å; W74-I141 PolarHBondContact N-O 3.27Å; W74-I141 PolarHBondContact O-N 3.19Å; W74-F143 HydrophobicContact CH2-CB 4.2Å; W74-F143 HydrophobicContact CZ3-CB 3.88Å; W74-F155 HydrophobicContact CH2-CZ 4.15Å; W74-F155 HydrophobicContact CZ3-CZ 4.1Å
75	K	94.9	Very high	87	Confident	67 Å²	67	42.3 Å²	42.3	29%	0.291	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	103.1	174.4	-172	-172.6	-173.5	-170.1	0	108.7	E46 N47 I48 L77 M138 L139	E46-K75 PolarHBondContact O-N 2.87Å; N47-K75 CarbonylContact C-O 3.51Å; N47-K75 WeakPolarHBondContact CA-O 3.16Å; N47-K75 WeakPolarHBondContact OD1-CB 3.23Å; N47-K75 WeakPolarHBondContact OD1-CD 3.33Å; I48-K75 PolarHBondContact N-O 2.77Å; K75-L77 HydrophobicContact CD-CD2 4.3Å; K75-L77 HydrophobicContact CG-CD2 4.28Å; K75-M138 HydrophobicContact CD-CE 4.3Å; K75-M138 HydrophobicContact CD-SD 4.4Å; K75-M138 WeakPolarHBondContact CE-SD 3.42Å; K75-M138 HydrophobicContact CG-CE 4.2Å; K75-M138 HydrophobicContact CG-CG 4.27Å; K75-M138 HydrophobicContact CG-SD 4.47Å; K75-L139 CarbonylContact C-O 3.51Å
76	L	94.1	Very high	88.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	130.5	175.5	-57.6	-173.7	0	0	0	109.9	I48 V50 I57 I84 L86 M138 L139 I141 Y159	I48-L76 HydrophobicContact CB-CD2 3.64Å; I48-L76 HydrophobicContact CD1-CD2 3.9Å; I48-L76 HydrophobicContact CG1-CD2 4.25Å; I48-L76 HydrophobicContact CG2-CD2 3.9Å; I48-L76 CarbonylContact O-C 3.54Å; I48-L76 WeakPolarHBondContact O-CA 3.41Å; V50-L76 HydrophobicContact CG2-CB 3.91Å; V50-L76 HydrophobicContact CG2-CD2 4.47Å; I57-L76 HydrophobicContact CD1-CD2 4.19Å; L76-I84 HydrophobicContact CB-CD1 3.73Å; L76-I84 HydrophobicContact CD1-CG2 3.8Å; L76-L86 HydrophobicContact CD1-CD2 3.69Å; L76-M138 WeakPolarHBondContact O-CA 3.18Å; L76-L139 HydrophobicContact CB-CB 4.43Å; L76-L139 PolarHBondContact N-O 3.05Å; L76-L139 PolarHBondContact O-N 3.2Å; L76-I141 HydrophobicContact CD1-CD1 4.05Å; L76-Y159 HydrophobicContact CD1-CD2 4.39Å; L76-Y159 HydrophobicContact CD1-CG 4.01Å; L76-Y159 HydrophobicContact CD2-CD1 4.47Å; L76-Y159 HydrophobicContact CD2-CD2 4.39Å; L76-Y159 HydrophobicContact CD2-CG 4.37Å
77	L	92.8	Very high	88.9	Confident	58 Å²	58	43.7 Å²	43.7	30%	0.304	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	107	-179	-61.6	173.9	0	0	0	108.7	N47 I48 T49 V50 K75 M138	N47-L77 HydrophobicContact CB-CD1 4.36Å; I48-L77 PolarHBondContact O-N 3.27Å; T49-L77 CarbonylContact C-O 3.52Å; T49-L77 WeakPolarHBondContact CA-O 3.18Å; V50-L77 PolarHBondContact N-O 2.91Å; K75-L77 HydrophobicContact CD-CD2 4.3Å; K75-L77 HydrophobicContact CG-CD2 4.28Å; L77-M138 HydrophobicContact CD2-CB 4.4Å; L77-M138 HydrophobicContact CD2-CG 4.03Å
78	A	90.9	Very high	89.8	Confident	12 Å²	12	42.8 Å²	42.8	10%	0.099	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-87	156.1	172.1	0	0	0	0	0	111	N82 I84 S137 L161	A78-N82 HydrophobicContact CB-CB 4.18Å; A78-I84 HydrophobicContact CB-CD1 4.07Å; A78-I84 HydrophobicContact CB-CG1 3.67Å; A78-S137 PolarHBondContact N-O 3.28Å; A78-L161 HydrophobicContact CB-CD2 3.75Å
79	P	90.2	Very high	90.6	Very high	60 Å²	60	39.9 Å²	39.9	39%	0.39	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-54.2	148.9	168.2	-23.6	33.9	0	0	0	111.3	G81 N82	P79-G81 PolarHBondContact O-N 3.06Å; P79-N82 WeakPolarHBondContact O-CB 3.43Å; P79-N82 PolarHBondContact O-N 3.38Å
80	P	87.3	Confident	91.2	Very high	122 Å²	122	46.8 Å²	46.8	79%	0.792	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	136.3	178.2	-26.5	34.6	0	0	0	112.2	N82	P80-N82 VanDerWaalsContact C-N 3.26Å; P80-N82 PolarHBondContact O-N 3.42Å; P80-N82 PolarHBondContact O-ND2 2.85Å
81	G	84.6	Confident	91.6	Very high	82 Å²	82	52.4 Å²	52.4	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.8	-8	-178.7	0	0	0	0	0	115.4	P79	P79-G81 PolarHBondContact O-N 3.06Å
82	N	89.1	Confident	92.1	Very high	58 Å²	58	46.9 Å²	46.9	31%	0.31	26%	0.264	S	S	.	.			trans	-96.6	149.2	175.3	-69.5	-97.1	0	0	0	111.5	A78 P79 P80 S137 L161	A78-N82 HydrophobicContact CB-CB 4.18Å; P79-N82 WeakPolarHBondContact O-CB 3.43Å; P79-N82 PolarHBondContact O-N 3.38Å; P80-N82 VanDerWaalsContact C-N 3.26Å; P80-N82 PolarHBondContact O-N 3.42Å; P80-N82 PolarHBondContact O-ND2 2.85Å; N82-S137 WeakPolarHBondContact O-CA 3.27Å; N82-S137 WeakPolarHBondContact O-CB 3.43Å; N82-L161 HydrophobicContact CB-CD2 4.02Å
83	L	91.3	Very high	92.4	Very high	56 Å²	56	48.8 Å²	48.8	29%	0.293	27%	0.272	S	S	.	.			trans	-107.6	153	175.9	-58.7	-179.7	0	0	0	110.1	T133 L161 L162	L83-T133 HydrophobicContact CB-CG2 4.44Å; L83-L161 WeakPolarHBondContact O-CA 3.47Å; L83-L162 HydrophobicContact CB-CB 3.99Å; L83-L162 HydrophobicContact CB-CD2 4.1Å; L83-L162 HydrophobicContact CD1-CD2 3.92Å; L83-L162 PolarHBondContact O-N 2.87Å
84	I	93.8	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.1	-178.4	-59.2	162	0	0	0	107.9	V50 L76 A78 L86 T133 S134 L139 S160	V50-I84 HydrophobicContact CG2-CD1 4.3Å; V50-I84 HydrophobicContact CG2-CG1 4.21Å; L76-I84 HydrophobicContact CB-CD1 3.73Å; L76-I84 HydrophobicContact CD1-CG2 3.8Å; A78-I84 HydrophobicContact CB-CD1 4.07Å; A78-I84 HydrophobicContact CB-CG1 3.67Å; I84-L86 HydrophobicContact CG2-CD2 4.13Å; I84-T133 WeakPolarHBondContact O-CA 3.23Å; I84-S134 PolarHBondContact N-OG 3.38Å; I84-S134 PolarHBondContact O-N 3.13Å; I84-S134 PolarHBondContact O-OG 3.35Å; I84-L139 HydrophobicContact CD1-CB 3.91Å; I84-L139 HydrophobicContact CG2-CD2 4.32Å; I84-S160 WeakPolarHBondContact CA-O 3.45Å
85	H	93.6	Very high	92.3	Very high	35 Å²	35	49.2 Å²	49.2	16%	0.162	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.7	170.3	-173.9	66.8	0	0	0	109.6	L132 T133 Y159 S160 L162	H85-L132 CarbonylContact C-O 3.6Å; H85-L132 WeakPolarHBondContact CA-O 2.97Å; H85-L132 PolarHBondContact ND1-O 3.48Å; H85-T133 PolarHBondContact ND1-OG1 3.29Å; H85-T133 VanDerWaalsContact ND1-OG1 3.13Å; H85-Y159 CarbonylContact O-C 3.57Å; H85-Y159 VanDerWaalsContact O-CA 3.24Å; H85-Y159 WeakPolarHBondContact O-CA 3.48Å; H85-S160 PolarHBondContact N-O 3.19Å; H85-S160 PolarHBondContact O-N 3.31Å; H85-L162 HydrophobicContact CB-CD1 4.45Å
86	L	95.9	Very high	92.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.9	172	-61.6	-171.2	0	0	0	110	L76 I84 F88 V109 S131 L132 L139 I141 I157 Y158	L76-L86 HydrophobicContact CD1-CD2 3.69Å; I84-L86 HydrophobicContact CG2-CD2 4.13Å; L86-F88 HydrophobicContact CB-CE2 4.47Å; L86-V109 HydrophobicContact CD1-CG1 4.23Å; L86-V109 HydrophobicContact CD1-CG2 4.1Å; L86-S131 CarbonylContact O-C 3.17Å; L86-S131 WeakPolarHBondContact O-CA 3.45Å; L86-S131 WeakPolarHBondContact O-CB 3.42Å; L86-L132 HydrophobicContact CB-CB 4.35Å; L86-L132 PolarHBondContact N-O 3.32Å; L86-L132 PolarHBondContact O-N 3.39Å; L86-L139 HydrophobicContact CD1-CD2 3.37Å; L86-L139 HydrophobicContact CD2-CD2 4.11Å; L86-L139 HydrophobicContact CG-CD2 3.56Å; L86-I141 HydrophobicContact CD1-CD1 3.82Å; L86-I141 HydrophobicContact CD1-CG1 4.03Å; L86-I141 HydrophobicContact CD2-CD1 4.02Å; L86-I157 HydrophobicContact CB-CG2 4.35Å; L86-I157 HydrophobicContact CD2-CG2 4.22Å; L86-Y158 WeakPolarHBondContact CA-O 3.31Å
87	Q	94.6	Very high	92.1	Very high	76 Å²	76	52.9 Å²	52.9	36%	0.355	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.9	171.4	-178.2	175.6	-1.2	0	0	109.2	I157 Y158	Q87-I157 CarbonylContact O-C 3.54Å; Q87-I157 WeakPolarHBondContact O-CA 3.37Å; Q87-Y158 PolarHBondContact N-O 3.36Å; Q87-Y158 PolarHBondContact O-N 3.48Å
88	F	94.6	Very high	92	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.035	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	135.7	175.6	-66	-101.6	0	0	0	109	L86 F92 V107 V109 A128 P129 L132 I157	L86-F88 HydrophobicContact CB-CE2 4.47Å; F88-F92 HydrophobicContact CD1-CD2 4.47Å; F88-V107 HydrophobicContact CE1-CG1 4.17Å; F88-V109 HydrophobicContact CZ-CG2 4.13Å; F88-A128 HydrophobicContact CB-CB 4.4Å; F88-P129 HydrophobicContact CD1-CB 4.31Å; F88-P129 HydrophobicContact CD1-CG 3.69Å; F88-P129 HydrophobicContact CD2-CB 3.74Å; F88-P129 HydrophobicContact CD2-CG 4.06Å; F88-P129 HydrophobicContact CE1-CB 4.41Å; F88-P129 HydrophobicContact CE1-CG 3.79Å; F88-P129 HydrophobicContact CE2-CB 3.87Å; F88-P129 HydrophobicContact CE2-CG 4.16Å; F88-P129 HydrophobicContact CG-CB 3.99Å; F88-P129 HydrophobicContact CG-CG 3.84Å; F88-P129 HydrophobicContact CZ-CB 4.21Å; F88-P129 HydrophobicContact CZ-CG 4.04Å; F88-L132 HydrophobicContact CE2-CD1 4.02Å; F88-L132 HydrophobicContact CE2-CG 4.38Å; F88-L132 HydrophobicContact CZ-CD1 4.49Å; F88-I157 HydrophobicContact CD1-CD1 3.93Å; F88-I157 HydrophobicContact CD1-CG1 3.57Å; F88-I157 HydrophobicContact CE1-CD1 3.46Å; F88-I157 VanDerWaalsContact CE1-CD1 3.46Å; F88-I157 HydrophobicContact CE1-CG1 3.65Å; F88-I157 HydrophobicContact CG-CG1 4.33Å; F88-I157 HydrophobicContact CZ-CD1 4.18Å; F88-I157 HydrophobicContact CZ-CG1 4.46Å
89	D	92.6	Very high	92.1	Very high	32 Å²	32	58.5 Å²	58.5	17%	0.171	33%	0.329	C	S	.	.			trans	-69	143.8	172.7	-162.1	-82.2	0	0	0	110.1	Q91 K156 Y158	D89-Q91 PolarHBondContact O-N 3.37Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.01Å; D89-Q91 PolarHBondContact OD1-N 3.24Å; D89-K156 HydrophobicContact CB-CB 3.8Å; D89-K156 HydrophobicContact CB-CD 4.34Å; D89-K156 HydrophobicContact CB-CG 4.29Å; D89-K156 WeakPolarHBondContact CB-O 3.11Å; D89-K156 PolarHBondContact N-O 3.23Å; D89-Y158 HydrophobicContact CB-CE2 4.01Å; D89-Y158 WeakPolarHBondContact OD2-CE2 3.39Å; D89-Y158 PolarHBondContact OD2-OH 3.04Å
90	E	91.1	Very high	92	Very high	163 Å²	163	59 Å²	59	76%	0.762	35%	0.346	S	S	*	.	S	Bend	trans	-61.5	-26.2	179.1	-65.9	-63.7	151.7	0	0	112	F92	E90-F92 PolarHBondContact O-N 3.47Å
91	Q	89.4	Confident	92.2	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	34%	0.339	S	S	*	.			trans	-79	64.7	172.3	-62.6	-175	10.9	0	0	111.1	Y62 D89	Y62-Q91 VanDerWaalsContact OH-CB 3.29Å; Y62-Q91 WeakPolarHBondContact OH-CB 3.45Å; Y62-Q91 PolarHBondContact OH-O 3.3Å; Y62-Q91 PolarHBondContact OH-OE1 3.32Å; D89-Q91 PolarHBondContact O-N 3.37Å; D89-Q91 WeakPolarHBondContact OD1-CB 3.01Å; D89-Q91 PolarHBondContact OD1-N 3.24Å
92	F	95.9	Very high	92.7	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.026	31%	0.305	C	S	.	.			trans	-105.3	123	175.1	-177.6	-87.1	0	0	0	110.2	F88 E90 L94 V107 W123 G125 Q126 A128 F155	F88-F92 HydrophobicContact CD1-CD2 4.47Å; E90-F92 PolarHBondContact O-N 3.47Å; F92-L94 HydrophobicContact CE1-CD1 4.26Å; F92-L94 HydrophobicContact CE1-CG 4.1Å; F92-L94 HydrophobicContact CE2-CD1 4.23Å; F92-L94 HydrophobicContact CE2-CG 4.4Å; F92-L94 HydrophobicContact CZ-CD1 3.58Å; F92-L94 HydrophobicContact CZ-CG 3.81Å; F92-V107 HydrophobicContact CE2-CG2 4.36Å; F92-W123 HydrophobicContact CZ-CB 4.25Å; F92-G125 WeakPolarHBondContact CD1-O 3.31Å; F92-G125 WeakPolarHBondContact CE1-O 3.43Å; F92-Q126 CarbonylContact O-C 3.56Å; F92-Q126 VanDerWaalsContact O-CA 3.29Å; F92-Q126 WeakPolarHBondContact O-CA 3.31Å; F92-Q126 VanDerWaalsContact O-O 3.1Å; F92-A128 HydrophobicContact CB-CB 3.8Å; F92-A128 HydrophobicContact CG-CB 4.47Å; F92-F155 HydrophobicContact CD2-CB 3.48Å; F92-F155 VanDerWaalsContact CD2-CB 3.48Å; F92-F155 HydrophobicContact CE2-CB 3.74Å; F92-F155 HydrophobicContact CE2-CG 4.35Å
93	H	94.1	Very high	92.8	Very high	41 Å²	41	57.9 Å²	57.9	19%	0.19	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-151.8	107.3	178.5	-161.8	160.4	0	0	0	111	G125 Q126 K152 P153 G154	H93-G125 WeakPolarHBondContact CA-O 3.38Å; H93-Q126 VanDerWaalsContact CD2-CG 3.44Å; H93-Q126 WeakPolarHBondContact CD2-CG 3.43Å; H93-Q126 WeakPolarHBondContact NE2-CG 3.43Å; H93-K152 HydrophobicContact CB-CB 4.43Å; H93-K152 WeakPolarHBondContact O-CB 3.35Å; H93-P153 HydrophobicContact CB-CG 4.46Å; H93-G154 PolarHBondContact N-O 3.08Å; H93-G154 VanDerWaalsContact O-CA 3.31Å; H93-G154 WeakPolarHBondContact O-CA 3.35Å; H93-G154 PolarHBondContact O-N 2.89Å
94	L	95.2	Very high	92.7	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.			trans	-116	173.9	169.4	-60	-176.2	0	0	0	110.4	Y66 F92 D105 V107 C124 G125 F143 F155	Y66-L94 HydrophobicContact CD1-CD2 4.03Å; Y66-L94 HydrophobicContact CE1-CD2 3.34Å; F92-L94 HydrophobicContact CE1-CD1 4.26Å; F92-L94 HydrophobicContact CE1-CG 4.1Å; F92-L94 HydrophobicContact CE2-CD1 4.23Å; F92-L94 HydrophobicContact CE2-CG 4.4Å; F92-L94 HydrophobicContact CZ-CD1 3.58Å; F92-L94 HydrophobicContact CZ-CG 3.81Å; L94-D105 HydrophobicContact CB-CB 4.37Å; L94-V107 HydrophobicContact CD1-CG2 4.06Å; L94-C124 HydrophobicContact CB-CB 4.29Å; L94-G125 PolarHBondContact N-O 3.15Å; L94-G125 VanDerWaalsContact O-CA 3.31Å; L94-G125 WeakPolarHBondContact O-CA 3.39Å; L94-G125 PolarHBondContact O-N 2.79Å; L94-F143 HydrophobicContact CD1-CD2 4.49Å; L94-F143 HydrophobicContact CD1-CE2 4.12Å; L94-F143 HydrophobicContact CD2-CE2 3.69Å; L94-F143 HydrophobicContact CD2-CZ 4.19Å; L94-F155 HydrophobicContact CD2-CD1 4.18Å
95	E	92.2	Very high	92.7	Very high	26 Å²	26	60.2 Å²	60.2	12%	0.121	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-52.2	144.8	172.5	-173.8	172.1	-165.1	0	0	112.2	Y66 Y104 D105 C124 G125 V150	Y66-E95 PolarHBondContact OH-N 2.95Å; Y66-E95 VanDerWaalsContact OH-N 3.16Å; E95-Y104 HydrophobicContact CG-CD2 4.19Å; E95-Y104 WeakPolarHBondContact OE2-CB 3.42Å; E95-D105 HydrophobicContact CB-CB 3.87Å; E95-D105 WeakPolarHBondContact CB-OD2 3.38Å; E95-C124 WeakPolarHBondContact O-CB 3.39Å; E95-G125 PolarHBondContact O-N 3.25Å; E95-V150 HydrophobicContact CB-CG1 4.27Å; E95-V150 HydrophobicContact CG-CB 4.27Å; E95-V150 HydrophobicContact CG-CG1 3.82Å
96	E	91.8	Very high	92.8	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-68.8	149.8	-177.7	-65.5	-64.4	164.5	0	0	111.7	Q126	E96-Q126 PolarHBondContact OE1-NE2 3.46Å
97	P	93.7	Very high	92.9	Very high	54 Å²	54	59.3 Å²	59.3	35%	0.351	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.5	141.4	-178.7	25.9	-32.9	0	0	0	112.6	K101	P97-K101 WeakPolarHBondContact CA-O 3.48Å
98	A	91	Very high	93	Very high	22 Å²	22	56.2 Å²	56.2	18%	0.182	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-86.9	123.6	165.3	0	0	0	0	0	110.1	G100 K101 Y104	A98-G100 PolarHBondContact O-N 2.7Å; A98-K101 PolarHBondContact N-O 3.05Å; A98-K101 PolarHBondContact O-N 2.95Å; A98-K101 VanDerWaalsContact O-O 3.09Å; A98-Y104 HydrophobicContact CB-CD2 4.4Å; A98-Y104 HydrophobicContact CB-CE2 3.59Å
99	N	91.6	Very high	93.1	Very high	165 Å²	165	55.8 Å²	55.8	88%	0.882	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	38.8	178.9	-56.9	-37.5	0	0	0	113.2	K101	N99-K101 PolarHBondContact O-N 3.38Å
100	G	89.1	Confident	93.2	Very high	72 Å²	72	55.4 Å²	55.4	74%	0.742	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	10.8	-177.8	0	0	0	0	0	114.8	A98	A98-G100 PolarHBondContact O-N 2.7Å
101	K	92.1	Very high	93.1	Very high	149 Å²	149	47.9 Å²	47.9	65%	0.648	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-121.8	133	178.4	-63.5	-178.7	-177.4	178.3	0	111.4	P97 A98 N99 S103	P97-K101 WeakPolarHBondContact CA-O 3.48Å; A98-K101 PolarHBondContact N-O 3.05Å; A98-K101 PolarHBondContact O-N 2.95Å; A98-K101 VanDerWaalsContact O-O 3.09Å; N99-K101 PolarHBondContact O-N 3.38Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.02Å; K101-S103 PolarHBondContact O-OG 3.38Å
102	C	94.2	Very high	92.7	Very high	20 Å²	20	47.9 Å²	47.9	14%	0.135	26%	0.258	C	S	.	.			trans	-74.7	83.6	173.6	-58.3	0	0	0	0	110.6	F106 R122 W123 C124	C102-F106 HydrophobicContact CB-CB 3.95Å; C102-R122 HydrophobicContact CB-CG 3.95Å; C102-R122 WeakPolarHBondContact O-CD 3.45Å; C102-W123 VanDerWaalsContact SG-C 3.58Å; C102-C124 WeakPolarHBondContact CA-SG 3.34Å; C102-C124 HydrophobicContact CB-CB 3.54Å; C102-C124 WeakPolarHBondContact CB-SG 3.47Å; C102-C124 WeakPolarHBondContact SG-CB 3.39Å; C102-C124 PolarHBondContact SG-N 2.66Å; C102-C124 CovalentContact SG-SG 2.03Å; C102-C124 PolarHBondContact SG-SG 2.99Å
103	S	90.5	Very high	91.4	Very high	69 Å²	69	50.1 Å²	50.1	48%	0.483	27%	0.274	S	S	.	.			trans	-101.6	-24	-173.5	-51.3	0	0	0	0	113.1	K101	K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.02Å; K101-S103 PolarHBondContact O-OG 3.38Å
104	Y	89.6	Confident	90.1	Very high	100 Å²	100	57.8 Å²	57.8	39%	0.392	31%	0.31	S	S	.	.	S	Bend	trans	-90.3	-92.5	178.8	-49.9	-51.5	0	0	0	109.8	E95 A98 N144	E95-Y104 HydrophobicContact CG-CD2 4.19Å; E95-Y104 WeakPolarHBondContact OE2-CB 3.42Å; A98-Y104 HydrophobicContact CB-CD2 4.4Å; A98-Y104 HydrophobicContact CB-CE2 3.59Å; Y104-N144 PolarHBondContact O-ND2 2.86Å
105	D	93.3	Very high	88.9	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.021	35%	0.346	C	S	.	.	S	Bend	trans	-94.1	136.8	176.5	-58.5	-17.9	0	0	0	111.3	Y66 L94 E95 C124 N144 S145 D146	Y66-D105 WeakPolarHBondContact CE2-OD2 3.14Å; Y66-D105 PolarHBondContact OH-OD2 3.41Å; L94-D105 HydrophobicContact CB-CB 4.37Å; E95-D105 HydrophobicContact CB-CB 3.87Å; E95-D105 WeakPolarHBondContact CB-OD2 3.38Å; D105-C124 WeakPolarHBondContact O-CB 2.9Å; D105-N144 CarbonylContact C-O 3.56Å; D105-N144 VanDerWaalsContact CA-O 3.3Å; D105-N144 WeakPolarHBondContact CA-O 3.24Å; D105-S145 WeakPolarHBondContact OD1-CA 3.43Å; D105-S145 WeakPolarHBondContact OD1-CB 3.45Å; D105-D146 PolarHBondContact OD1-N 2.79Å
106	F	96.8	Very high	88.1	Confident	17 Å²	17	67.8 Å²	67.8	8%	0.075	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	152.8	178	59.2	-94.7	0	0	0	114.2	C102 E108 R122 W123 F143 N144	C102-F106 HydrophobicContact CB-CB 3.95Å; F106-E108 HydrophobicContact CD2-CB 3.93Å; F106-E108 HydrophobicContact CE2-CB 4.03Å; F106-R122 HydrophobicContact CB-CG 3.46Å; F106-R122 VanDerWaalsContact CB-CG 3.46Å; F106-R122 HydrophobicContact CD1-CG 4.37Å; F106-R122 HydrophobicContact CD2-CG 3.59Å; F106-R122 HydrophobicContact CE2-CG 4.42Å; F106-R122 VanDerWaalsContact CG-CD 3.46Å; F106-R122 HydrophobicContact CG-CG 3.56Å; F106-W123 VanDerWaalsContact CA-O 3.25Å; F106-W123 WeakPolarHBondContact CA-O 3.08Å; F106-F143 WeakPolarHBondContact O-CA 2.91Å; F106-F143 WeakPolarHBondContact O-CD2 3.39Å; F106-N144 HydrophobicContact CD1-CB 4.04Å; F106-N144 HydrophobicContact CD2-CB 4.09Å; F106-N144 HydrophobicContact CE1-CB 3.59Å; F106-N144 HydrophobicContact CE2-CB 3.65Å; F106-N144 HydrophobicContact CG-CB 4.27Å; F106-N144 HydrophobicContact CZ-CB 3.38Å; F106-N144 PolarHBondContact N-O 3.49Å; F106-N144 PolarHBondContact O-N 2.78Å
107	V	97.8	Very high	87.7	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131.5	156.8	173.5	0	0	0	0	108.9	F88 F92 L94 R122 W123 I141 I142 F143 F155 I157	F88-V107 HydrophobicContact CE1-CG1 4.17Å; F92-V107 HydrophobicContact CE2-CG2 4.36Å; L94-V107 HydrophobicContact CD1-CG2 4.06Å; V107-R122 CarbonylContact O-C 3.43Å; V107-R122 WeakPolarHBondContact O-CA 3.1Å; V107-W123 PolarHBondContact N-O 3.03Å; V107-W123 PolarHBondContact O-N 3.23Å; V107-I141 HydrophobicContact CG1-CG2 3.92Å; V107-I142 CarbonylContact C-O 3.56Å; V107-I142 VanDerWaalsContact CA-O 3.29Å; V107-I142 WeakPolarHBondContact CA-O 3.42Å; V107-F143 HydrophobicContact CG2-CB 4.36Å; V107-F143 HydrophobicContact CG2-CD2 3.89Å; V107-F143 HydrophobicContact CG2-CG 4.5Å; V107-F155 HydrophobicContact CG2-CD1 3.42Å; V107-F155 VanDerWaalsContact CG2-CD1 3.42Å; V107-F155 HydrophobicContact CG2-CD2 4.41Å; V107-F155 HydrophobicContact CG2-CE1 3.25Å; V107-F155 HydrophobicContact CG2-CE2 4.25Å; V107-F155 HydrophobicContact CG2-CG 4.03Å; V107-F155 HydrophobicContact CG2-CZ 3.7Å; V107-I157 HydrophobicContact CG1-CD1 4.23Å
108	E	97.1	Very high	87.4	Confident	10 Å²	10	67.6 Å²	67.6	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.3	174.8	176.7	167.3	120.9	0	0	109.1	F106 K119 G121 R122 I141 I142	F106-E108 HydrophobicContact CD2-CB 3.93Å; F106-E108 HydrophobicContact CE2-CB 4.03Å; E108-K119 WeakPolarHBondContact OE1-CE 3.35Å; E108-K119 IonicContact OE1-NZ 2.76Å; E108-K119 PolarHBondContact OE1-NZ 3.4Å; E108-K119 IonicContact OE2-NZ 3.7Å; E108-G121 WeakPolarHBondContact CA-O 3.49Å; E108-R122 HydrophobicContact CB-CG 4.47Å; E108-R122 IonicContact OE2-CZ 3.23Å; E108-R122 VanDerWaalsContact OE2-CZ 3.23Å; E108-R122 IonicContact OE2-NE 2.85Å; E108-R122 PolarHBondContact OE2-NE 3.06Å; E108-R122 IonicContact OE2-NH2 2.74Å; E108-R122 PolarHBondContact OE2-NH2 3.16Å; E108-I141 CarbonylContact O-C 3.58Å; E108-I142 HydrophobicContact CB-CB 4.38Å; E108-I142 PolarHBondContact N-O 3.36Å; E108-I142 PolarHBondContact O-N 2.96Å
109	V	96.8	Very high	87.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.8	173.6	177.1	0	0	0	0	108.2	L86 F88 W120 G121 W123 L132 L139 R140 I141	L86-V109 HydrophobicContact CD1-CG1 4.23Å; L86-V109 HydrophobicContact CD1-CG2 4.1Å; F88-V109 HydrophobicContact CZ-CG2 4.13Å; V109-W120 HydrophobicContact CB-CB 4.26Å; V109-W120 HydrophobicContact CG1-CB 4.31Å; V109-W120 HydrophobicContact CG1-CG 4.33Å; V109-W120 WeakPolarHBondContact O-CB 3.3Å; V109-W120 PolarHBondContact O-N 3.48Å; V109-G121 PolarHBondContact N-O 3.37Å; V109-W123 HydrophobicContact CB-CH2 4.2Å; V109-W123 HydrophobicContact CB-CZ3 3.85Å; V109-W123 HydrophobicContact CG2-CH2 4.38Å; V109-W123 HydrophobicContact CG2-CZ3 3.74Å; V109-L132 HydrophobicContact CB-CD1 4.23Å; V109-L132 HydrophobicContact CG1-CD1 4.25Å; V109-L132 HydrophobicContact CG2-CD1 4.21Å; V109-L139 HydrophobicContact CG1-CD1 3.79Å; V109-L139 HydrophobicContact CG1-CD2 4.04Å; V109-L139 HydrophobicContact CG1-CG 3.91Å; V109-R140 CarbonylContact C-O 3.34Å; V109-R140 WeakPolarHBondContact CA-O 3.37Å; V109-I141 HydrophobicContact CG2-CG1 4.23Å
110	E	93.6	Very high	87.4	Confident	23 Å²	23	68.3 Å²	68.3	11%	0.107	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	144.1	178.2	71.5	178.4	-171	0	0	111.2	T117 I118 R140 I142	E110-T117 HydrophobicContact CB-CG2 4.05Å; E110-T117 HydrophobicContact CG-CG2 4.4Å; E110-I118 CarbonylContact C-O 3.55Å; E110-I118 WeakPolarHBondContact CA-O 3.42Å; E110-R140 HydrophobicContact CG-CB 3.77Å; E110-R140 HydrophobicContact CG-CG 4.08Å; E110-R140 PolarHBondContact N-O 2.84Å; E110-R140 WeakPolarHBondContact O-CA 3.15Å; E110-R140 PolarHBondContact O-N 2.88Å; E110-R140 VanDerWaalsContact O-O 3.11Å; E110-R140 VanDerWaalsContact OE1-CD 3.23Å; E110-R140 WeakPolarHBondContact OE1-CD 3.43Å; E110-R140 IonicContact OE1-CZ 3.86Å; E110-R140 IonicContact OE1-NE 2.66Å; E110-R140 IonicContact OE1-NH1 2.61Å; E110-R140 PolarHBondContact OE1-NH1 2.82Å; E110-I142 HydrophobicContact CG-CD1 4.13Å
111	E	89.2	Confident	87.5	Confident	6 Å²	6	65.9 Å²	65.9	3%	0.028	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.6	175.1	-177.7	164.2	-154.2	0	0	108.4	I118 W120 K135 S136 L139	E111-I118 PolarHBondContact N-O 3.06Å; E111-I118 PolarHBondContact O-N 3.24Å; E111-W120 WeakPolarHBondContact OE2-CZ2 3.42Å; E111-W120 PolarHBondContact OE2-NE1 3.43Å; E111-W120 VanDerWaalsContact OE2-NE1 3.16Å; E111-K135 WeakPolarHBondContact OE1-CA 3.43Å; E111-K135 PolarHBondContact OE1-N 3.04Å; E111-K135 PolarHBondContact OE2-N 2.99Å; E111-S136 WeakPolarHBondContact OE1-CA 3.11Å; E111-S136 VanDerWaalsContact OE1-CB 3.25Å; E111-S136 WeakPolarHBondContact OE1-CB 3.25Å; E111-S136 PolarHBondContact OE1-N 2.93Å; E111-S136 PolarHBondContact OE1-OG 2.8Å; E111-L139 HydrophobicContact CB-CD1 4.04Å
112	K	80.3	Confident	87.7	Confident	132 Å²	132	63.7 Å²	63.7	57%	0.574	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.5	-179.5	-164.2	177.5	-177.5	179.9	0	109.1	M138	K112-M138 HydrophobicContact CB-CE 3.74Å
113	S	70.2	Confident	87.8	Confident	52 Å²	52	65.2 Å²	65.2	36%	0.364	33%	0.325	S	S	.	.			trans	-86.8	174.6	167.1	81.8	0	0	0	0	110.5	T115 N116	S113-T115 PolarHBondContact O-N 3.19Å; S113-T115 PolarHBondContact OG-N 3.28Å; S113-N116 PolarHBondContact N-O 3.45Å; S113-N116 PolarHBondContact OG-N 2.97Å; S113-N116 PolarHBondContact OG-O 3.26Å; S113-N116 VanDerWaalsContact OG-O 3.05Å
114	Q	66.9	Low	88.1	Confident	202 Å²	202	62.6 Å²	62.6	94%	0.944	31%	0.306	S	S	*	.	S	Bend	trans	-62.1	-23.8	-178.8	-142.8	167.2	22.8	0	0	112.9
115	T	68.3	Low	88.3	Confident	122 Å²	122	58 Å²	58	75%	0.748	29%	0.289	S	S	*	.	S	Bend	trans	-122.6	-20.1	-175.5	53.2	0	0	0	0	114.4	S113	S113-T115 PolarHBondContact O-N 3.19Å; S113-T115 PolarHBondContact OG-N 3.28Å
116	N	77	Confident	88.4	Confident	114 Å²	114	63.6 Å²	63.6	61%	0.61	32%	0.315	S	S	*	.			trans	-144.6	157.5	-175	-85.5	-23.9	0	0	0	112.8	S113	S113-N116 PolarHBondContact N-O 3.45Å; S113-N116 PolarHBondContact OG-N 2.97Å; S113-N116 PolarHBondContact OG-O 3.26Å; S113-N116 VanDerWaalsContact OG-O 3.05Å
117	T	82.5	Confident	88.3	Confident	69 Å²	69	71.1 Å²	71.1	42%	0.423	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.9	167.9	-51.1	0	0	0	0	108.6	E110	E110-T117 HydrophobicContact CB-CG2 4.05Å; E110-T117 HydrophobicContact CG-CG2 4.4Å
118	I	87.4	Confident	88.2	Confident	71 Å²	71	72 Å²	72	36%	0.364	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	121.5	175.8	-59.4	174.3	0	0	0	107.6	E110 E111	E110-I118 CarbonylContact C-O 3.55Å; E110-I118 WeakPolarHBondContact CA-O 3.42Å; E111-I118 PolarHBondContact N-O 3.06Å; E111-I118 PolarHBondContact O-N 3.24Å
119	K	90.2	Very high	88.1	Confident	124 Å²	124	72 Å²	72	54%	0.539	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.2	170.6	-63.3	-171	176.9	-141.4	0	108.4	E108 G121	E108-K119 WeakPolarHBondContact OE1-CE 3.35Å; E108-K119 IonicContact OE1-NZ 2.76Å; E108-K119 PolarHBondContact OE1-NZ 3.4Å; E108-K119 IonicContact OE2-NZ 3.7Å; K119-G121 VanDerWaalsContact C-N 3.35Å
120	W	92.6	Very high	88	Confident	78 Å²	78	76.2 Å²	76.2	30%	0.295	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-36.6	179.6	-74.4	80.8	0	0	0	111.5	V109 E111 W123 L132 T133 K135	V109-W120 HydrophobicContact CB-CB 4.26Å; V109-W120 HydrophobicContact CG1-CB 4.31Å; V109-W120 HydrophobicContact CG1-CG 4.33Å; V109-W120 WeakPolarHBondContact O-CB 3.3Å; V109-W120 PolarHBondContact O-N 3.48Å; E111-W120 WeakPolarHBondContact OE2-CZ2 3.42Å; E111-W120 PolarHBondContact OE2-NE1 3.43Å; E111-W120 VanDerWaalsContact OE2-NE1 3.16Å; W120-W123 HydrophobicContact CB-CH2 4.13Å; W120-L132 HydrophobicContact CB-CD1 4.44Å; W120-L132 HydrophobicContact CE3-CD2 3.99Å; W120-L132 HydrophobicContact CZ3-CD2 4.46Å; W120-T133 WeakPolarHBondContact CH2-O 3.46Å; W120-K135 HydrophobicContact CH2-CG 4.26Å; W120-K135 HydrophobicContact CZ2-CD 4.32Å; W120-K135 HydrophobicContact CZ2-CG 4.02Å
121	G	91.8	Very high	88	Confident	21 Å²	21	78.4 Å²	78.4	22%	0.216	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	175.4	176.5	0	0	0	0	0	111.9	E108 V109 K119 W123	E108-G121 WeakPolarHBondContact CA-O 3.49Å; V109-G121 PolarHBondContact N-O 3.37Å; K119-G121 VanDerWaalsContact C-N 3.35Å; G121-W123 VanDerWaalsContact C-CZ3 3.46Å; G121-W123 VanDerWaalsContact CA-CH2 3.47Å; G121-W123 VanDerWaalsContact O-CZ3 3.24Å; G121-W123 WeakPolarHBondContact O-CZ3 3.23Å
122	R	95.3	Very high	88.2	Confident	103 Å²	103	79 Å²	79	39%	0.389	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127	175.2	-174.8	-177.4	-68	-166.6	-6.3	107.8	C102 F106 V107 E108	C102-R122 HydrophobicContact CB-CG 3.95Å; C102-R122 WeakPolarHBondContact O-CD 3.45Å; F106-R122 HydrophobicContact CB-CG 3.46Å; F106-R122 VanDerWaalsContact CB-CG 3.46Å; F106-R122 HydrophobicContact CD1-CG 4.37Å; F106-R122 HydrophobicContact CD2-CG 3.59Å; F106-R122 HydrophobicContact CE2-CG 4.42Å; F106-R122 VanDerWaalsContact CG-CD 3.46Å; F106-R122 HydrophobicContact CG-CG 3.56Å; V107-R122 CarbonylContact O-C 3.43Å; V107-R122 WeakPolarHBondContact O-CA 3.1Å; E108-R122 HydrophobicContact CB-CG 4.47Å; E108-R122 IonicContact OE2-CZ 3.23Å; E108-R122 VanDerWaalsContact OE2-CZ 3.23Å; E108-R122 IonicContact OE2-NE 2.85Å; E108-R122 PolarHBondContact OE2-NE 3.06Å; E108-R122 IonicContact OE2-NH2 2.74Å; E108-R122 PolarHBondContact OE2-NH2 3.16Å
123	W	97.3	Very high	88.9	Confident	53 Å²	53	75.1 Å²	75.1	20%	0.201	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	145.4	-170.1	-55.8	-88.3	0	0	0	111.8	F92 C102 F106 V107 V109 W120 G121 P129 L132	F92-W123 HydrophobicContact CZ-CB 4.25Å; C102-W123 VanDerWaalsContact SG-C 3.58Å; F106-W123 VanDerWaalsContact CA-O 3.25Å; F106-W123 WeakPolarHBondContact CA-O 3.08Å; V107-W123 PolarHBondContact N-O 3.03Å; V107-W123 PolarHBondContact O-N 3.23Å; V109-W123 HydrophobicContact CB-CH2 4.2Å; V109-W123 HydrophobicContact CB-CZ3 3.85Å; V109-W123 HydrophobicContact CG2-CH2 4.38Å; V109-W123 HydrophobicContact CG2-CZ3 3.74Å; W120-W123 HydrophobicContact CB-CH2 4.13Å; G121-W123 VanDerWaalsContact C-CZ3 3.46Å; G121-W123 VanDerWaalsContact CA-CH2 3.47Å; G121-W123 VanDerWaalsContact O-CZ3 3.24Å; G121-W123 WeakPolarHBondContact O-CZ3 3.23Å; W123-P129 HydrophobicContact CB-CG 3.69Å; W123-P129 HydrophobicContact CD2-CB 3.9Å; W123-P129 HydrophobicContact CD2-CG 3.62Å; W123-P129 HydrophobicContact CE3-CG 4.16Å; W123-P129 HydrophobicContact CG-CB 3.98Å; W123-P129 HydrophobicContact CG-CG 3.4Å; W123-P129 VanDerWaalsContact CG-CG 3.4Å; W123-P129 HydrophobicContact CZ2-CB 4.37Å; W123-L132 HydrophobicContact CH2-CD1 3.68Å; W123-L132 HydrophobicContact CZ2-CD1 4.3Å; W123-L132 HydrophobicContact CZ3-CD1 4.37Å
124	C	96.1	Very high	89.9	Confident	14 Å²	14	72.8 Å²	72.8	10%	0.095	38%	0.377	C	S	.	.			trans	-158.9	-177.1	-177.4	66.2	0	0	0	0	109.8	L94 E95 C102 D105	L94-C124 HydrophobicContact CB-CB 4.29Å; E95-C124 WeakPolarHBondContact O-CB 3.39Å; C102-C124 WeakPolarHBondContact CA-SG 3.34Å; C102-C124 HydrophobicContact CB-CB 3.54Å; C102-C124 WeakPolarHBondContact CB-SG 3.47Å; C102-C124 WeakPolarHBondContact SG-CB 3.39Å; C102-C124 PolarHBondContact SG-N 2.66Å; C102-C124 CovalentContact SG-SG 2.03Å; C102-C124 PolarHBondContact SG-SG 2.99Å; D105-C124 WeakPolarHBondContact O-CB 2.9Å
125	G	94.9	Very high	91	Very high	2 Å²	2	70.3 Å²	70.3	2%	0.021	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-153.6	-172.9	0	0	0	0	0	112.6	F92 H93 L94 E95	F92-G125 WeakPolarHBondContact CD1-O 3.31Å; F92-G125 WeakPolarHBondContact CE1-O 3.43Å; H93-G125 WeakPolarHBondContact CA-O 3.38Å; L94-G125 PolarHBondContact N-O 3.15Å; L94-G125 VanDerWaalsContact O-CA 3.31Å; L94-G125 WeakPolarHBondContact O-CA 3.39Å; L94-G125 PolarHBondContact O-N 2.79Å; E95-G125 PolarHBondContact O-N 3.25Å
126	Q	95.4	Very high	92	Very high	122 Å²	122	66.3 Å²	66.3	57%	0.57	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-6.1	-172.1	-70.3	169.9	59.5	0	0	115.1	F92 H93 E96	F92-Q126 CarbonylContact O-C 3.56Å; F92-Q126 VanDerWaalsContact O-CA 3.29Å; F92-Q126 WeakPolarHBondContact O-CA 3.31Å; F92-Q126 VanDerWaalsContact O-O 3.1Å; H93-Q126 VanDerWaalsContact CD2-CG 3.44Å; H93-Q126 WeakPolarHBondContact CD2-CG 3.43Å; H93-Q126 WeakPolarHBondContact NE2-CG 3.43Å; E96-Q126 PolarHBondContact OE1-NE2 3.46Å
127	K	94.2	Very high	92.6	Very high	175 Å²	175	63 Å²	63	76%	0.761	33%	0.327	S	S	*	.			trans	-92.4	112.3	-175.8	-172.2	178.3	-180	179.4	0	110.1
128	A	94.6	Very high	93.1	Very high	18 Å²	18	61.5 Å²	61.5	15%	0.149	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-59.5	139.1	173.6	0	0	0	0	0	111.3	F88 F92	F88-A128 HydrophobicContact CB-CB 4.4Å; F92-A128 HydrophobicContact CB-CB 3.8Å; F92-A128 HydrophobicContact CG-CB 4.47Å
129	P	95.4	Very high	93.3	Very high	12 Å²	12	58.2 Å²	58.2	8%	0.078	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-64.6	151.9	170.7	-18.6	31.5	0	0	0	111.7	F88 W123	F88-P129 HydrophobicContact CD1-CB 4.31Å; F88-P129 HydrophobicContact CD1-CG 3.69Å; F88-P129 HydrophobicContact CD2-CB 3.74Å; F88-P129 HydrophobicContact CD2-CG 4.06Å; F88-P129 HydrophobicContact CE1-CB 4.41Å; F88-P129 HydrophobicContact CE1-CG 3.79Å; F88-P129 HydrophobicContact CE2-CB 3.87Å; F88-P129 HydrophobicContact CE2-CG 4.16Å; F88-P129 HydrophobicContact CG-CB 3.99Å; F88-P129 HydrophobicContact CG-CG 3.84Å; F88-P129 HydrophobicContact CZ-CB 4.21Å; F88-P129 HydrophobicContact CZ-CG 4.04Å; W123-P129 HydrophobicContact CB-CG 3.69Å; W123-P129 HydrophobicContact CD2-CB 3.9Å; W123-P129 HydrophobicContact CD2-CG 3.62Å; W123-P129 HydrophobicContact CE3-CG 4.16Å; W123-P129 HydrophobicContact CG-CB 3.98Å; W123-P129 HydrophobicContact CG-CG 3.4Å; W123-P129 VanDerWaalsContact CG-CG 3.4Å; W123-P129 HydrophobicContact CZ2-CB 4.37Å
130	S	94.8	Very high	93.6	Very high	88 Å²	88	55.9 Å²	55.9	62%	0.615	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-63.2	154.7	167.7	56.6	0	0	0	0	111
131	S	94.1	Very high	93.8	Very high	69 Å²	69	52.1 Å²	52.1	48%	0.483	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-54.6	145.4	173.3	62.4	0	0	0	0	111.9	L86	L86-S131 CarbonylContact O-C 3.17Å; L86-S131 WeakPolarHBondContact O-CA 3.45Å; L86-S131 WeakPolarHBondContact O-CB 3.42Å
132	L	94.3	Very high	94.1	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.099	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.2	-178.2	-58.4	173.1	0	0	0	109.9	H85 L86 F88 V109 W120 W123	H85-L132 CarbonylContact C-O 3.6Å; H85-L132 WeakPolarHBondContact CA-O 2.97Å; H85-L132 PolarHBondContact ND1-O 3.48Å; L86-L132 HydrophobicContact CB-CB 4.35Å; L86-L132 PolarHBondContact N-O 3.32Å; L86-L132 PolarHBondContact O-N 3.39Å; F88-L132 HydrophobicContact CE2-CD1 4.02Å; F88-L132 HydrophobicContact CE2-CG 4.38Å; F88-L132 HydrophobicContact CZ-CD1 4.49Å; V109-L132 HydrophobicContact CB-CD1 4.23Å; V109-L132 HydrophobicContact CG1-CD1 4.25Å; V109-L132 HydrophobicContact CG2-CD1 4.21Å; W120-L132 HydrophobicContact CB-CD1 4.44Å; W120-L132 HydrophobicContact CE3-CD2 3.99Å; W120-L132 HydrophobicContact CZ3-CD2 4.46Å; W123-L132 HydrophobicContact CH2-CD1 3.68Å; W123-L132 HydrophobicContact CZ2-CD1 4.3Å; W123-L132 HydrophobicContact CZ3-CD1 4.37Å
133	T	93.3	Very high	94.1	Very high	49 Å²	49	46.6 Å²	46.6	30%	0.301	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.5	172.7	-61.6	0	0	0	0	108.2	L83 I84 H85 W120 L162	L83-T133 HydrophobicContact CB-CG2 4.44Å; I84-T133 WeakPolarHBondContact O-CA 3.23Å; H85-T133 PolarHBondContact ND1-OG1 3.29Å; H85-T133 VanDerWaalsContact ND1-OG1 3.13Å; W120-T133 WeakPolarHBondContact CH2-O 3.46Å; T133-L162 HydrophobicContact CG2-CD1 3.85Å; T133-L162 HydrophobicContact CG2-CD2 3.75Å; T133-L162 HydrophobicContact CG2-CG 4.28Å
134	S	92.2	Very high	94	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.021	24%	0.242	C	C	.	.			trans	-63	158.4	180	72.6	0	0	0	0	111.7	I84 S136	I84-S134 PolarHBondContact N-OG 3.38Å; I84-S134 PolarHBondContact O-N 3.13Å; I84-S134 PolarHBondContact O-OG 3.35Å; S134-S136 WeakPolarHBondContact CB-O 3.47Å; S134-S136 PolarHBondContact OG-O 3.45Å
135	K	89.1	Confident	93.5	Very high	150 Å²	150	44.7 Å²	44.7	65%	0.652	24%	0.238	S	C	*	.	S	Bend	trans	-97.1	-11.4	174.5	-66	178.3	-177.2	-177.8	0	112.8	E111 W120	E111-K135 WeakPolarHBondContact OE1-CA 3.43Å; E111-K135 PolarHBondContact OE1-N 3.04Å; E111-K135 PolarHBondContact OE2-N 2.99Å; W120-K135 HydrophobicContact CH2-CG 4.26Å; W120-K135 HydrophobicContact CZ2-CD 4.32Å; W120-K135 HydrophobicContact CZ2-CG 4.02Å
136	S	89.3	Confident	92.8	Very high	39 Å²	39	45.7 Å²	45.7	27%	0.273	24%	0.243	S	C	.	.	S	Bend	trans	-135.3	173.8	-179.6	72	0	0	0	0	110.9	E111 S134 M138	E111-S136 WeakPolarHBondContact OE1-CA 3.11Å; E111-S136 VanDerWaalsContact OE1-CB 3.25Å; E111-S136 WeakPolarHBondContact OE1-CB 3.25Å; E111-S136 PolarHBondContact OE1-N 2.93Å; E111-S136 PolarHBondContact OE1-OG 2.8Å; S134-S136 WeakPolarHBondContact CB-O 3.47Å; S134-S136 PolarHBondContact OG-O 3.45Å; S136-M138 PolarHBondContact O-N 3.19Å; S136-M138 PolarHBondContact OG-N 2.92Å; S136-M138 PolarHBondContact OG-O 3.23Å; S136-M138 VanDerWaalsContact OG-O 3.07Å
137	S	90.8	Very high	91.8	Very high	45 Å²	45	42.7 Å²	42.7	32%	0.315	23%	0.23	S	C	.	.	S	Bend	trans	-77.7	11.6	176.4	62.1	0	0	0	0	113.6	A78 N82	A78-S137 PolarHBondContact N-O 3.28Å; N82-S137 WeakPolarHBondContact O-CA 3.27Å; N82-S137 WeakPolarHBondContact O-CB 3.43Å
138	M	91.5	Very high	90.4	Very high	36 Å²	36	41.6 Å²	41.6	18%	0.177	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	130.4	178.4	-179.9	-170.6	136.7	0	0	110.9	K75 L76 L77 K112 S136	K75-M138 HydrophobicContact CD-CE 4.3Å; K75-M138 HydrophobicContact CD-SD 4.4Å; K75-M138 WeakPolarHBondContact CE-SD 3.42Å; K75-M138 HydrophobicContact CG-CE 4.2Å; K75-M138 HydrophobicContact CG-CG 4.27Å; K75-M138 HydrophobicContact CG-SD 4.47Å; L76-M138 WeakPolarHBondContact O-CA 3.18Å; L77-M138 HydrophobicContact CD2-CB 4.4Å; L77-M138 HydrophobicContact CD2-CG 4.03Å; K112-M138 HydrophobicContact CB-CE 3.74Å; S136-M138 PolarHBondContact O-N 3.19Å; S136-M138 PolarHBondContact OG-N 2.92Å; S136-M138 PolarHBondContact OG-O 3.23Å; S136-M138 VanDerWaalsContact OG-O 3.07Å
139	L	93.4	Very high	88.6	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	144.9	174.7	-164.2	69.4	0	0	0	109.5	K75 L76 I84 L86 V109 E111	K75-L139 CarbonylContact C-O 3.51Å; L76-L139 HydrophobicContact CB-CB 4.43Å; L76-L139 PolarHBondContact N-O 3.05Å; L76-L139 PolarHBondContact O-N 3.2Å; I84-L139 HydrophobicContact CD1-CB 3.91Å; I84-L139 HydrophobicContact CG2-CD2 4.32Å; L86-L139 HydrophobicContact CD1-CD2 3.37Å; L86-L139 HydrophobicContact CD2-CD2 4.11Å; L86-L139 HydrophobicContact CG-CD2 3.56Å; V109-L139 HydrophobicContact CG1-CD1 3.79Å; V109-L139 HydrophobicContact CG1-CD2 4.04Å; V109-L139 HydrophobicContact CG1-CG 3.91Å; E111-L139 HydrophobicContact CB-CD1 4.04Å
140	R	95.6	Very high	87	Confident	75 Å²	75	51.3 Å²	51.3	28%	0.283	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.4	177.5	-177.1	166.7	-178.4	-150	12.6	110.5	D45 S73 W74 V109 E110 I142	D45-R140 IonicContact OD1-CZ 3.35Å; D45-R140 IonicContact OD1-NH2 3.29Å; D45-R140 PolarHBondContact OD1-NH2 3.23Å; S73-R140 VanDerWaalsContact OG-CG 3.3Å; S73-R140 WeakPolarHBondContact OG-CG 3.44Å; S73-R140 PolarHBondContact OG-NE 2.85Å; W74-R140 CarbonylContact O-C 3.6Å; W74-R140 WeakPolarHBondContact O-CA 3.31Å; V109-R140 CarbonylContact C-O 3.34Å; V109-R140 WeakPolarHBondContact CA-O 3.37Å; E110-R140 HydrophobicContact CG-CB 3.77Å; E110-R140 HydrophobicContact CG-CG 4.08Å; E110-R140 PolarHBondContact N-O 2.84Å; E110-R140 WeakPolarHBondContact O-CA 3.15Å; E110-R140 PolarHBondContact O-N 2.88Å; E110-R140 VanDerWaalsContact O-O 3.11Å; E110-R140 VanDerWaalsContact OE1-CD 3.23Å; E110-R140 WeakPolarHBondContact OE1-CD 3.43Å; E110-R140 IonicContact OE1-CZ 3.86Å; E110-R140 IonicContact OE1-NE 2.66Å; E110-R140 IonicContact OE1-NH1 2.61Å; E110-R140 PolarHBondContact OE1-NH1 2.82Å; R140-I142 HydrophobicContact CG-CG1 4.28Å
141	I	97.5	Very high	85.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.6	175.5	-54.9	167.6	0	0	0	106.6	I57 S73 W74 L76 L86 V107 E108 V109 I157	I57-I141 HydrophobicContact CD1-CD1 3.65Å; S73-I141 CarbonylContact C-O 3.5Å; S73-I141 WeakPolarHBondContact CA-O 3.39Å; S73-I141 PolarHBondContact OG-O 3.29Å; W74-I141 HydrophobicContact CE3-CB 4.27Å; W74-I141 HydrophobicContact CE3-CG2 4.12Å; W74-I141 PolarHBondContact N-O 3.27Å; W74-I141 PolarHBondContact O-N 3.19Å; L76-I141 HydrophobicContact CD1-CD1 4.05Å; L86-I141 HydrophobicContact CD1-CD1 3.82Å; L86-I141 HydrophobicContact CD1-CG1 4.03Å; L86-I141 HydrophobicContact CD2-CD1 4.02Å; V107-I141 HydrophobicContact CG1-CG2 3.92Å; E108-I141 CarbonylContact O-C 3.58Å; V109-I141 HydrophobicContact CG2-CG1 4.23Å; I141-I157 HydrophobicContact CD1-CG2 4.46Å; I141-I157 HydrophobicContact CG2-CD1 4.11Å
142	I	97.4	Very high	85.2	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.4	178.3	-60.2	167.4	0	0	0	107.6	L72 V107 E108 E110 R140	L72-I142 CarbonylContact O-C 3.42Å; L72-I142 WeakPolarHBondContact O-CA 2.96Å; V107-I142 CarbonylContact C-O 3.56Å; V107-I142 VanDerWaalsContact CA-O 3.29Å; V107-I142 WeakPolarHBondContact CA-O 3.42Å; E108-I142 HydrophobicContact CB-CB 4.38Å; E108-I142 PolarHBondContact N-O 3.36Å; E108-I142 PolarHBondContact O-N 2.96Å; E110-I142 HydrophobicContact CG-CD1 4.13Å; R140-I142 HydrophobicContact CG-CG1 4.28Å
143	F	96.4	Very high	84.7	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.4	167.1	174.4	-129	0	0	0	109.5	Y66 L70 R71 L72 W74 L94 F106 V107 F155	Y66-F143 HydrophobicContact CD1-CZ 4.04Å; Y66-F143 HydrophobicContact CD2-CE1 4.31Å; Y66-F143 AromaticContact CD2-CZ 3.71Å; Y66-F143 HydrophobicContact CD2-CZ 3.71Å; Y66-F143 HydrophobicContact CE1-CZ 4.34Å; Y66-F143 HydrophobicContact CE2-CZ 4.05Å; Y66-F143 HydrophobicContact CG-CE1 4.2Å; Y66-F143 AromaticContact CG-CZ 3.72Å; Y66-F143 HydrophobicContact CG-CZ 3.72Å; L70-F143 HydrophobicContact CD1-CE1 4.06Å; R71-F143 CarbonylContact C-O 3.33Å; R71-F143 WeakPolarHBondContact CA-O 3.36Å; L72-F143 HydrophobicContact CB-CB 4.44Å; L72-F143 HydrophobicContact CD1-CD1 4.23Å; L72-F143 HydrophobicContact CG-CD1 4.5Å; L72-F143 PolarHBondContact N-O 3.25Å; L72-F143 PolarHBondContact O-N 2.96Å; W74-F143 HydrophobicContact CH2-CB 4.2Å; W74-F143 HydrophobicContact CZ3-CB 3.88Å; L94-F143 HydrophobicContact CD1-CD2 4.49Å; L94-F143 HydrophobicContact CD1-CE2 4.12Å; L94-F143 HydrophobicContact CD2-CE2 3.69Å; L94-F143 HydrophobicContact CD2-CZ 4.19Å; F106-F143 WeakPolarHBondContact O-CA 2.91Å; F106-F143 WeakPolarHBondContact O-CD2 3.39Å; V107-F143 HydrophobicContact CG2-CB 4.36Å; V107-F143 HydrophobicContact CG2-CD2 3.89Å; V107-F143 HydrophobicContact CG2-CG 4.5Å; F143-F155 HydrophobicContact CB-CE1 3.91Å; F143-F155 HydrophobicContact CB-CZ 3.81Å; F143-F155 AromaticContact CD1-CE1 3.97Å; F143-F155 HydrophobicContact CD1-CE1 3.97Å; F143-F155 HydrophobicContact CD1-CZ 4.32Å; F143-F155 HydrophobicContact CD2-CD1 4.35Å; F143-F155 AromaticContact CD2-CE1 3.46Å; F143-F155 HydrophobicContact CD2-CE1 3.46Å; F143-F155 VanDerWaalsContact CD2-CE1 3.46Å; F143-F155 HydrophobicContact CD2-CZ 4.26Å; F143-F155 HydrophobicContact CE1-CE1 4.36Å; F143-F155 AromaticContact CE2-CE1 3.92Å; F143-F155 HydrophobicContact CE2-CE1 3.92Å; F143-F155 AromaticContact CG-CE1 3.5Å; F143-F155 HydrophobicContact CG-CE1 3.5Å; F143-F155 VanDerWaalsContact CG-CE1 3.5Å; F143-F155 AromaticContact CG-CZ 3.89Å; F143-F155 HydrophobicContact CG-CZ 3.89Å; F143-F155 HydrophobicContact CZ-CE1 4.33Å
144	N	94.3	Very high	84.6	Confident	27 Å²	27	48.5 Å²	48.5	14%	0.144	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.3	175.4	-173.3	91.2	0	0	0	109.3	L70 Y104 D105 F106	L70-N144 CarbonylContact O-C 3.57Å; L70-N144 VanDerWaalsContact O-CA 3.28Å; L70-N144 WeakPolarHBondContact O-CA 3.4Å; Y104-N144 PolarHBondContact O-ND2 2.86Å; D105-N144 CarbonylContact C-O 3.56Å; D105-N144 VanDerWaalsContact CA-O 3.3Å; D105-N144 WeakPolarHBondContact CA-O 3.24Å; F106-N144 HydrophobicContact CD1-CB 4.04Å; F106-N144 HydrophobicContact CD2-CB 4.09Å; F106-N144 HydrophobicContact CE1-CB 3.59Å; F106-N144 HydrophobicContact CE2-CB 3.65Å; F106-N144 HydrophobicContact CG-CB 4.27Å; F106-N144 HydrophobicContact CZ-CB 3.38Å; F106-N144 PolarHBondContact N-O 3.49Å; F106-N144 PolarHBondContact O-N 2.78Å
145	S	85.7	Confident	84.7	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141.5	166.2	75	0	0	0	0	111	P67 N69 L70 D105	P67-S145 PolarHBondContact O-OG 3.21Å; P67-S145 VanDerWaalsContact O-OG 3.06Å; N69-S145 WeakPolarHBondContact CA-O 3.46Å; N69-S145 PolarHBondContact N-O 3.47Å; N69-S145 PolarHBondContact N-OG 2.77Å; L70-S145 WeakPolarHBondContact CB-OG 3.48Å; L70-S145 PolarHBondContact N-O 3.45Å; L70-S145 PolarHBondContact N-OG 3.43Å; L70-S145 PolarHBondContact O-N 2.94Å; D105-S145 WeakPolarHBondContact OD1-CA 3.43Å; D105-S145 WeakPolarHBondContact OD1-CB 3.45Å
146	D	80.3	Confident	84.9	Confident	23 Å²	23	43.4 Å²	43.4	12%	0.123	22%	0.22	C	C	.	.			trans	-80.9	-173.6	-176.7	85.3	-5.9	0	0	0	113.2	R68 N69 D105 Y148	R68-D146 WeakPolarHBondContact CB-O 3.47Å; N69-D146 PolarHBondContact N-O 2.8Å; N69-D146 PolarHBondContact OD1-O 3.06Å; D105-D146 PolarHBondContact OD1-N 2.79Å; D146-Y148 VanDerWaalsContact C-N 3.35Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.4Å; D146-Y148 PolarHBondContact OD1-N 3.17Å; D146-Y148 WeakPolarHBondContact OD2-CD2 3.25Å
147	D	73.8	Confident	85.1	Confident	58 Å²	58	41.6 Å²	41.6	31%	0.31	21%	0.207	S	C	.	.	S	Bend	trans	-90	10.2	-178	77.1	-43.7	0	0	0	113.6	R68 N69	R68-D147 VanDerWaalsContact NE-C 3.33Å; R68-D147 PolarHBondContact NE-O 3.27Å; R68-D147 PolarHBondContact NH2-O 2.66Å; N69-D147 WeakPolarHBondContact OD1-CA 3.42Å; N69-D147 WeakPolarHBondContact OD1-CB 3.42Å; N69-D147 PolarHBondContact OD1-N 3.21Å
148	Y	65.4	Low	85.2	Confident	152 Å²	152	42.8 Å²	42.8	60%	0.596	21%	0.206	S	C	*	.	S	Bend	trans	-95	157.4	179.1	-75.2	-93.3	0	0	0	112.6	D146 V150	D146-Y148 VanDerWaalsContact C-N 3.35Å; D146-Y148 WeakPolarHBondContact OD1-CB 3.4Å; D146-Y148 PolarHBondContact OD1-N 3.17Å; D146-Y148 WeakPolarHBondContact OD2-CD2 3.25Å; Y148-V150 PolarHBondContact O-N 2.89Å
149	F	57.1	Low	85.3	Confident	186 Å²	186	42.5 Å²	42.5	82%	0.816	20%	0.203	S	C	*	.	S	Bend	trans	-84.4	59	-180	-77.6	-86.5	0	0	0	111.4
150	V	60.3	Low	85	Confident	49 Å²	49	42.6 Å²	42.6	30%	0.297	20%	0.204	S	C	.	.			trans	-122.4	54.7	179.2	-165.6	0	0	0	0	110.5	E95 Y148 K152	E95-V150 HydrophobicContact CB-CG1 4.27Å; E95-V150 HydrophobicContact CG-CB 4.27Å; E95-V150 HydrophobicContact CG-CG1 3.82Å; Y148-V150 PolarHBondContact O-N 2.89Å; V150-K152 PolarHBondContact O-N 3.3Å
151	A	66.9	Low	84.7	Confident	51 Å²	51	39.3 Å²	39.3	42%	0.421	19%	0.192	S	C	.	.			trans	-73.7	124.7	179.6	0	0	0	0	0	111.4	A65 Y66	A65-A151 HydrophobicContact CB-CB 3.59Å; Y66-A151 WeakPolarHBondContact O-CB 2.89Å
152	K	84.6	Confident	84.1	Confident	60 Å²	60	43.4 Å²	43.4	26%	0.261	21%	0.213	S	C	.	.			trans	-110.3	166.6	175.7	-60.1	-61.3	-169.6	171.7	0	110.9	A65 Y66 H93 V150 G154	A65-K152 WeakPolarHBondContact CA-O 3.3Å; Y66-K152 WeakPolarHBondContact CD1-O 2.91Å; Y66-K152 HydrophobicContact CE1-CB 3.75Å; Y66-K152 WeakPolarHBondContact CE1-O 3.21Å; Y66-K152 PolarHBondContact N-O 2.73Å; Y66-K152 VanDerWaalsContact N-O 3.15Å; H93-K152 HydrophobicContact CB-CB 4.43Å; H93-K152 WeakPolarHBondContact O-CB 3.35Å; V150-K152 PolarHBondContact O-N 3.3Å; K152-G154 PolarHBondContact O-N 2.96Å
153	P	83.1	Confident	82.6	Confident	55 Å²	55	46.5 Å²	46.5	36%	0.357	25%	0.247	S	C	.	.			trans	-52.1	-24.5	179.5	-31.4	37.5	0	0	0	115.4	Y62 P63 H93	Y62-P153 VanDerWaalsContact CD2-O 3.23Å; Y62-P153 WeakPolarHBondContact CD2-O 3.02Å; P63-P153 WeakPolarHBondContact O-CB 3.46Å; H93-P153 HydrophobicContact CB-CG 4.46Å
154	G	92.9	Very high	80.7	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	92.4	-138.8	173.9	0	0	0	0	0	113	S59 H93 K152	S59-G154 VanDerWaalsContact OG-CA 3.27Å; S59-G154 WeakPolarHBondContact OG-CA 3.37Å; H93-G154 PolarHBondContact N-O 3.08Å; H93-G154 VanDerWaalsContact O-CA 3.31Å; H93-G154 WeakPolarHBondContact O-CA 3.35Å; H93-G154 PolarHBondContact O-N 2.89Å; K152-G154 PolarHBondContact O-N 2.96Å
155	F	94.2	Very high	78.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.			trans	-148.3	161.4	-174.1	62.5	-94.5	0	0	0	112.8	I57 S59 Y62 W74 F92 L94 V107 F143 I157	I57-F155 HydrophobicContact CG2-CE2 4.22Å; S59-F155 PolarHBondContact N-O 2.76Å; S59-F155 PolarHBondContact OG-N 3.42Å; S59-F155 PolarHBondContact OG-O 3.17Å; Y62-F155 WeakPolarHBondContact CD2-O 3.49Å; W74-F155 HydrophobicContact CH2-CZ 4.15Å; W74-F155 HydrophobicContact CZ3-CZ 4.1Å; F92-F155 HydrophobicContact CD2-CB 3.48Å; F92-F155 VanDerWaalsContact CD2-CB 3.48Å; F92-F155 HydrophobicContact CE2-CB 3.74Å; F92-F155 HydrophobicContact CE2-CG 4.35Å; L94-F155 HydrophobicContact CD2-CD1 4.18Å; V107-F155 HydrophobicContact CG2-CD1 3.42Å; V107-F155 VanDerWaalsContact CG2-CD1 3.42Å; V107-F155 HydrophobicContact CG2-CD2 4.41Å; V107-F155 HydrophobicContact CG2-CE1 3.25Å; V107-F155 HydrophobicContact CG2-CE2 4.25Å; V107-F155 HydrophobicContact CG2-CG 4.03Å; V107-F155 HydrophobicContact CG2-CZ 3.7Å; F143-F155 HydrophobicContact CB-CE1 3.91Å; F143-F155 HydrophobicContact CB-CZ 3.81Å; F143-F155 AromaticContact CD1-CE1 3.97Å; F143-F155 HydrophobicContact CD1-CE1 3.97Å; F143-F155 HydrophobicContact CD1-CZ 4.32Å; F143-F155 HydrophobicContact CD2-CD1 4.35Å; F143-F155 AromaticContact CD2-CE1 3.46Å; F143-F155 HydrophobicContact CD2-CE1 3.46Å; F143-F155 VanDerWaalsContact CD2-CE1 3.46Å; F143-F155 HydrophobicContact CD2-CZ 4.26Å; F143-F155 HydrophobicContact CE1-CE1 4.36Å; F143-F155 AromaticContact CE2-CE1 3.92Å; F143-F155 HydrophobicContact CE2-CE1 3.92Å; F143-F155 AromaticContact CG-CE1 3.5Å; F143-F155 HydrophobicContact CG-CE1 3.5Å; F143-F155 VanDerWaalsContact CG-CE1 3.5Å; F143-F155 AromaticContact CG-CZ 3.89Å; F143-F155 HydrophobicContact CG-CZ 3.89Å; F143-F155 HydrophobicContact CZ-CE1 4.33Å; F155-I157 HydrophobicContact CD2-CD1 3.63Å; F155-I157 HydrophobicContact CD2-CG1 3.75Å; F155-I157 HydrophobicContact CE2-CD1 3.7Å; F155-I157 HydrophobicContact CE2-CG1 4.24Å
156	K	92.3	Very high	76.6	Confident	46 Å²	46	57 Å²	57	20%	0.2	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.2	168.1	-179.4	-176.2	-172.1	-173.4	0	108.4	V56 I57 F58 Y62 D89 Y158	V56-K156 HydrophobicContact CG1-CD 4.19Å; V56-K156 HydrophobicContact CG1-CG 3.52Å; I57-K156 CarbonylContact O-C 3.58Å; I57-K156 WeakPolarHBondContact O-CA 3.48Å; F58-K156 HydrophobicContact CD1-CB 4.08Å; F58-K156 HydrophobicContact CD1-CD 4.14Å; F58-K156 HydrophobicContact CD1-CG 3.76Å; F58-K156 HydrophobicContact CE1-CB 4.3Å; F58-K156 HydrophobicContact CE1-CD 3.51Å; F58-K156 HydrophobicContact CE1-CG 3.55Å; F58-K156 HydrophobicContact CZ-CD 4.25Å; F58-K156 HydrophobicContact CZ-CG 4.29Å; Y62-K156 HydrophobicContact CE1-CB 4.12Å; Y62-K156 HydrophobicContact CE1-CD 4.37Å; Y62-K156 HydrophobicContact CE2-CB 4.38Å; D89-K156 HydrophobicContact CB-CB 3.8Å; D89-K156 HydrophobicContact CB-CD 4.34Å; D89-K156 HydrophobicContact CB-CG 4.29Å; D89-K156 WeakPolarHBondContact CB-O 3.11Å; D89-K156 PolarHBondContact N-O 3.23Å; K156-Y158 HydrophobicContact CD-CE1 4.49Å; K156-Y158 HydrophobicContact CD-CE2 4.23Å; K156-Y158 WeakPolarHBondContact CD-OH 3.23Å; K156-Y158 WeakPolarHBondContact CE-OH 3.3Å; K156-Y158 HydrophobicContact CG-CE2 4.35Å; K156-Y158 PolarHBondContact NZ-OH 2.61Å
157	I	94.3	Very high	75	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.6	-178.7	-58.8	166	0	0	0	108.3	V56 I57 L86 Q87 F88 V107 I141 F155	V56-I157 CarbonylContact C-O 3.53Å; V56-I157 WeakPolarHBondContact CA-O 3.39Å; I57-I157 HydrophobicContact CB-CB 4.47Å; I57-I157 PolarHBondContact N-O 2.98Å; I57-I157 PolarHBondContact O-N 3.15Å; L86-I157 HydrophobicContact CB-CG2 4.35Å; L86-I157 HydrophobicContact CD2-CG2 4.22Å; Q87-I157 CarbonylContact O-C 3.54Å; Q87-I157 WeakPolarHBondContact O-CA 3.37Å; F88-I157 HydrophobicContact CD1-CD1 3.93Å; F88-I157 HydrophobicContact CD1-CG1 3.57Å; F88-I157 HydrophobicContact CE1-CD1 3.46Å; F88-I157 VanDerWaalsContact CE1-CD1 3.46Å; F88-I157 HydrophobicContact CE1-CG1 3.65Å; F88-I157 HydrophobicContact CG-CG1 4.33Å; F88-I157 HydrophobicContact CZ-CD1 4.18Å; F88-I157 HydrophobicContact CZ-CG1 4.46Å; V107-I157 HydrophobicContact CG1-CD1 4.23Å; I141-I157 HydrophobicContact CD1-CG2 4.46Å; I141-I157 HydrophobicContact CG2-CD1 4.11Å; F155-I157 HydrophobicContact CD2-CD1 3.63Å; F155-I157 HydrophobicContact CD2-CG1 3.75Å; F155-I157 HydrophobicContact CE2-CD1 3.7Å; F155-I157 HydrophobicContact CE2-CG1 4.24Å
158	Y	92.3	Very high	73.7	Confident	71 Å²	71	65.8 Å²	65.8	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	139.5	169.7	-53.2	-94.3	0	0	0	109	G55 V56 L86 Q87 D89 K156	G55-Y158 WeakPolarHBondContact O-CA 3.48Å; V56-Y158 HydrophobicContact CG1-CD1 4.29Å; V56-Y158 HydrophobicContact CG1-CE1 4.39Å; V56-Y158 HydrophobicContact CG2-CD1 3.54Å; V56-Y158 HydrophobicContact CG2-CE1 3.87Å; V56-Y158 HydrophobicContact CG2-CG 4.47Å; L86-Y158 WeakPolarHBondContact CA-O 3.31Å; Q87-Y158 PolarHBondContact N-O 3.36Å; Q87-Y158 PolarHBondContact O-N 3.48Å; D89-Y158 HydrophobicContact CB-CE2 4.01Å; D89-Y158 WeakPolarHBondContact OD2-CE2 3.39Å; D89-Y158 PolarHBondContact OD2-OH 3.04Å; K156-Y158 HydrophobicContact CD-CE1 4.49Å; K156-Y158 HydrophobicContact CD-CE2 4.23Å; K156-Y158 WeakPolarHBondContact CD-OH 3.23Å; K156-Y158 WeakPolarHBondContact CE-OH 3.3Å; K156-Y158 HydrophobicContact CG-CE2 4.35Å; K156-Y158 PolarHBondContact NZ-OH 2.61Å
159	Y	92.6	Very high	72.7	Confident	30 Å²	30	60.7 Å²	60.7	12%	0.118	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.2	173.2	65.3	-92.5	0	0	0	110.6	I48 V50 G54 G55 V56 I57 L76 H85	I48-Y159 HydrophobicContact CG2-CE2 3.95Å; I48-Y159 WeakPolarHBondContact CG2-OH 3.34Å; V50-Y159 HydrophobicContact CG1-CD2 3.99Å; V50-Y159 HydrophobicContact CG1-CE2 4.35Å; V50-Y159 HydrophobicContact CG2-CD2 3.99Å; V50-Y159 HydrophobicContact CG2-CE2 4.25Å; G54-Y159 CarbonylContact C-O 3.57Å; G54-Y159 WeakPolarHBondContact CA-O 3.26Å; G55-Y159 PolarHBondContact N-O 3.45Å; G55-Y159 WeakPolarHBondContact O-CD1 3.41Å; G55-Y159 PolarHBondContact O-N 3.16Å; V56-Y159 VanDerWaalsContact N-CE1 3.34Å; I57-Y159 HydrophobicContact CD1-CD1 4.04Å; I57-Y159 HydrophobicContact CD1-CE1 4.25Å; I57-Y159 HydrophobicContact CG1-CD1 3.96Å; I57-Y159 HydrophobicContact CG1-CE1 3.85Å; L76-Y159 HydrophobicContact CD1-CD2 4.39Å; L76-Y159 HydrophobicContact CD1-CG 4.01Å; L76-Y159 HydrophobicContact CD2-CD1 4.47Å; L76-Y159 HydrophobicContact CD2-CD2 4.39Å; L76-Y159 HydrophobicContact CD2-CG 4.37Å; H85-Y159 CarbonylContact O-C 3.57Å; H85-Y159 VanDerWaalsContact O-CA 3.24Å; H85-Y159 WeakPolarHBondContact O-CA 3.48Å
160	S	88.7	Confident	72.2	Confident	4 Å²	4	56 Å²	56	3%	0.028	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	171.7	177.4	68	0	0	0	0	111.2	I84 H85	I84-S160 WeakPolarHBondContact CA-O 3.45Å; H85-S160 PolarHBondContact N-O 3.19Å; H85-S160 PolarHBondContact O-N 3.31Å
161	L	88.8	Confident	71.4	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.5	161.9	-57.6	-179.3	0	0	0	109	V50 P52 A78 N82 L83 G163	V50-L161 HydrophobicContact CB-CD2 3.97Å; V50-L161 HydrophobicContact CG1-CD2 3.56Å; V50-L161 HydrophobicContact CG1-CG 3.99Å; P52-L161 HydrophobicContact CG-CD1 4.17Å; A78-L161 HydrophobicContact CB-CD2 3.75Å; N82-L161 HydrophobicContact CB-CD2 4.02Å; L83-L161 WeakPolarHBondContact O-CA 3.47Å; L161-G163 PolarHBondContact O-N 3.1Å
162	L	84.7	Confident	70	Confident	86 Å²	86	63.7 Å²	63.7	45%	0.45	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	113.3	174.7	-176.5	72.2	0	0	0	109.5	L83 H85 T133	L83-L162 HydrophobicContact CB-CB 3.99Å; L83-L162 HydrophobicContact CB-CD2 4.1Å; L83-L162 HydrophobicContact CD1-CD2 3.92Å; L83-L162 PolarHBondContact O-N 2.87Å; H85-L162 HydrophobicContact CB-CD1 4.45Å; T133-L162 HydrophobicContact CG2-CD1 3.85Å; T133-L162 HydrophobicContact CG2-CD2 3.75Å; T133-L162 HydrophobicContact CG2-CG 4.28Å
163	G	66.7	Low	68.1	Low	72 Å²	72	65.9 Å²	65.9	74%	0.742	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.9	-15.2	174.7	0	0	0	0	0	116.2	L161	L161-G163 PolarHBondContact O-N 3.1Å
164	D	56.7	Low	66.3	Low	93 Å²	93	70.1 Å²	70.1	50%	0.497	38%	0.381	S	S	.	.			trans	-109.1	16.5	-174.6	-70.2	-27	0	0	0	114.2	N166	D164-N166 PolarHBondContact O-N 2.87Å
165	A	48.3	Very low	63.6	Low	51 Å²	51	75.7 Å²	75.7	42%	0.421	42%	0.42	S	S	.	.			trans	-75.2	81.6	-176.3	0	0	0	0	0	112.4	W167	A165-W167 HydrophobicContact CB-CD2 4.03Å; A165-W167 HydrophobicContact CB-CE3 4.04Å; A165-W167 HydrophobicContact CB-CH2 3.46Å; A165-W167 VanDerWaalsContact CB-CH2 3.46Å; A165-W167 HydrophobicContact CB-CZ2 3.41Å; A165-W167 VanDerWaalsContact CB-CZ2 3.41Å; A165-W167 HydrophobicContact CB-CZ3 3.78Å
166	N	44.1	Very low	60.8	Low	103 Å²	103	82.1 Å²	82.1	55%	0.551	45%	0.454	S	S	*	.			trans	-94.8	91.6	166.3	-158.3	12	0	0	0	110.4	D164 E168 A169	D164-N166 PolarHBondContact O-N 2.87Å; N166-E168 PolarHBondContact O-N 2.98Å; N166-A169 PolarHBondContact O-N 2.02Å
167	W	47.6	Very low	58.1	Low	120 Å²	120	86.5 Å²	86.5	46%	0.455	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.2	-175.1	-64.2	166.2	0	0	0	114.9	A165	A165-W167 HydrophobicContact CB-CD2 4.03Å; A165-W167 HydrophobicContact CB-CE3 4.04Å; A165-W167 HydrophobicContact CB-CH2 3.46Å; A165-W167 VanDerWaalsContact CB-CH2 3.46Å; A165-W167 HydrophobicContact CB-CZ2 3.41Å; A165-W167 VanDerWaalsContact CB-CZ2 3.41Å; A165-W167 HydrophobicContact CB-CZ3 3.78Å
168	E	45.3	Very low	55.3	Low	146 Å²	146	90 Å²	90	68%	0.682	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-34.1	176.7	-67.4	178.7	161.2	0	0	112.4	N166 V170 T171 E172	N166-E168 PolarHBondContact O-N 2.98Å; E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 3.03Å; E168-T171 PolarHBondContact O-N 3.45Å; E168-E172 PolarHBondContact O-N 2.8Å
169	A	45.5	Very low	52.8	Low	45 Å²	45	91.2 Å²	91.2	37%	0.372	54%	0.538	S	S	.	.	H	α-helix	trans	-70	-22.5	-177	0	0	0	0	0	114.3	N166 T171	N166-A169 PolarHBondContact O-N 2.02Å; A169-T171 VanDerWaalsContact C-N 3.26Å; A169-T171 PolarHBondContact O-N 2.87Å
170	V	46.5	Very low	49.9	Very low	87 Å²	87	97.5 Å²	97.5	53%	0.527	57%	0.574	S	S	.	*	H	α-helix	trans	-72.3	-25	177.6	-178.1	0	0	0	0	111.4	E168	E168-V170 VanDerWaalsContact C-N 3.3Å; E168-V170 PolarHBondContact O-N 3.03Å
171	T	43.8	Very low	47.4	Very low	106 Å²	106	106.5 Å²	106.5	65%	0.65	62%	0.615	S	S	*	*	H	α-helix	trans	-99.2	-28.7	-171.1	-37.4	0	0	0	0	112.4	E168 A169	E168-T171 PolarHBondContact O-N 3.45Å; A169-T171 VanDerWaalsContact C-N 3.26Å; A169-T171 PolarHBondContact O-N 2.87Å
172	E	36.4	Very low	44.5	Very low	156 Å²	156	115 Å²	115	73%	0.729	66%	0.657	S	S	*	*	H	α-helix	trans	-80.1	-19.8	-169.7	-160.1	168.6	-163.3	0	0	114.8	E168 M174	E168-E172 PolarHBondContact O-N 2.8Å; E172-M174 PolarHBondContact O-N 2.81Å; E172-M174 VanDerWaalsContact O-N 3.16Å
173	L	44.4	Very low	42.2	Very low	106 Å²	106	116.2 Å²	116.2	56%	0.555	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	8.6	-174.5	-109.7	134.6	0	0	0	115.3	Y328	L173-Y328 HydrophobicContact CB-CE1 3.58Å; L173-Y328 VanDerWaalsContact CB-CZ 3.45Å; L173-Y328 WeakPolarHBondContact CB-OH 3.26Å; L173-Y328 HydrophobicContact CD1-CE1 3.49Å; L173-Y328 VanDerWaalsContact CD1-CE1 3.49Å; L173-Y328 WeakPolarHBondContact CD1-OH 3.17Å; L173-Y328 HydrophobicContact CD2-CD1 3.82Å; L173-Y328 HydrophobicContact CD2-CE1 3.17Å; L173-Y328 HydrophobicContact CG-CE1 3.5Å
174	M	47.2	Very low	40.5	Very low	145 Å²	145	115.8 Å²	115.8	71%	0.714	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-2.3	-179.1	-57.6	-161.2	84.2	0	0	114.7	E172 P327	E172-M174 PolarHBondContact O-N 2.81Å; E172-M174 VanDerWaalsContact O-N 3.16Å; M174-P327 HydrophobicContact CE-CB 4.45Å
175	S	34.6	Very low	39.8	Very low	117 Å²	117	117.2 Å²	117.2	82%	0.818	67%	0.672	S	S	*	*	S	Bend	trans	-115	-5.5	-167.7	-79.6	0	0	0	0	117.9
176	D	36.2	Very low	39.7	Very low	135 Å²	135	123.3 Å²	123.3	72%	0.722	69%	0.691	S	S	*	*			trans	-138.8	111.7	-175.7	-157.8	27.8	0	0	0	111.9
177	M	35.6	Very low	39.9	Very low	137 Å²	137	121.1 Å²	121.1	68%	0.675	68%	0.682	S	S	*	*			trans	163	102.3	139.1	-85.7	171.2	-163	0	0	112.4	H330	M177-H330 PolarHBondContact O-CE1 2.71Å
178	G	35.1	Very low	40.1	Very low	75 Å²	75	116.8 Å²	116.8	77%	0.773	67%	0.669	S	S	*	*			trans	-82.3	153.6	168.2	0	0	0	0	0	114.3
179	A	40.3	Very low	40.3	Very low	95 Å²	95	118.5 Å²	118.5	79%	0.785	68%	0.677	S	S	*	*			trans	36.6	112.3	151.8	0	0	0	0	0	120.8
180	N	32.1	Very low	40.8	Very low	162 Å²	162	119 Å²	119	87%	0.866	68%	0.676	S	S	*	*				-160.6	131.1	126.9	-99	-23.6	0	0	0	111
181	E	35.1	Very low	41	Very low	194 Å²	194	118.9 Å²	118.9	91%	0.907	67%	0.671	S	S	*	*			trans	-88.4	144.9	-173.5	-67.2	-179.7	145.9	0	0	113.7
182	M	27.5	Very low	41.5	Very low	185 Å²	185	120.4 Å²	120.4	91%	0.911	67%	0.671	S	S	*	*			trans	-168.9	162.9	140	-119.4	-155.1	-161.6	0	0	111.9
183	P	38.1	Very low	42.5	Very low	111 Å²	111	116.4 Å²	116.4	72%	0.721	66%	0.655	S	S	*	*	P	Polyproline II helix		-87.4	132.8	-113	35.7	-30.4	0	0	0	112.8
184	A	30	Very low	43.2	Very low	62 Å²	62	111.7 Å²	111.7	51%	0.512	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-103.5	136.3	166.6	0	0	0	0	0	108.5	E186	A184-E186 PolarHBondContact O-N 3.43Å; A184-E186 VanDerWaalsContact O-N 3.14Å
185	T	43	Very low	43.5	Very low	124 Å²	124	107.6 Å²	107.6	76%	0.761	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-48.6	120.3	157.5	-28	0	0	0	0	107	V187	T185-V187 PolarHBondContact O-N 2.85Å
186	E	44.9	Very low	44.8	Very low	178 Å²	178	111.1 Å²	111.1	83%	0.832	61%	0.607	S	S	*	*			trans	-55.8	110	-168.3	-70.3	178.8	164	0	0	110.9	A184	A184-E186 PolarHBondContact O-N 3.43Å; A184-E186 VanDerWaalsContact O-N 3.14Å
187	V	49.7	Very low	46	Very low	58 Å²	58	106.7 Å²	106.7	35%	0.352	59%	0.585	S	S	.	*			trans	-69.1	137.2	164.8	177.4	0	0	0	0	106.7	T185 Q189 V336	T185-V187 PolarHBondContact O-N 2.85Å; V187-Q189 WeakPolarHBondContact O-CG 3.48Å; V187-Q189 PolarHBondContact O-N 2.82Å; V187-V336 HydrophobicContact CG1-CG2 4.05Å
188	P	50.5	Low	47	Very low	28 Å²	28	100.7 Å²	100.7	18%	0.182	56%	0.555	C	S	.	*			trans	-55.6	112.7	178.6	-24.2	33.5	0	0	0	110.6	T190 D193 L194 T197	P188-T190 PolarHBondContact O-N 2.84Å; P188-D193 HydrophobicContact CB-CB 3.61Å; P188-L194 HydrophobicContact CB-CB 4.08Å; P188-L194 HydrophobicContact CG-CD1 4.29Å; P188-T197 HydrophobicContact CG-CG2 4.5Å; P188-T197 WeakPolarHBondContact CG-OG1 3.08Å
189	Q	50.7	Low	48.1	Very low	182 Å²	182	99.8 Å²	99.8	85%	0.85	54%	0.54	S	S	*	.	S	Bend	trans	-76.8	-6.9	-172.6	-65.7	-175.6	-13	0	0	112.7	V187	V187-Q189 WeakPolarHBondContact O-CG 3.48Å; V187-Q189 PolarHBondContact O-N 2.82Å
190	T	55.5	Low	49.3	Very low	57 Å²	57	99.8 Å²	99.8	35%	0.35	53%	0.53	S	S	.	.	S	Bend	trans	-127.6	153.3	178.7	74.5	0	0	0	0	111.7	P188 E192 D193 L194	P188-T190 PolarHBondContact O-N 2.84Å; T190-E192 PolarHBondContact O-N 3.21Å; T190-D193 PolarHBondContact O-N 3.3Å; T190-D193 WeakPolarHBondContact OG1-CB 3.41Å; T190-D193 PolarHBondContact OG1-N 3.45Å; T190-D193 PolarHBondContact OG1-OD2 3.14Å; T190-L194 PolarHBondContact O-N 2.73Å
191	L	50.4	Low	50.7	Low	83 Å²	83	94.3 Å²	94.3	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-58.8	-30.8	175.3	-163.7	84.4	0	0	0	111.5	D195 V278	L191-D195 WeakPolarHBondContact O-CB 3.3Å; L191-D195 PolarHBondContact O-N 3.42Å; L191-V278 HydrophobicContact CD1-CG2 4.5Å
192	E	54.4	Low	51.5	Low	138 Å²	138	88.7 Å²	88.7	65%	0.645	48%	0.475	S	S	*	.	H	α-helix	trans	-74.7	-39.8	179.1	-72.4	129.4	-176.6	0	0	112.7	T190 L194 D195 R196	T190-E192 PolarHBondContact O-N 3.21Å; E192-L194 VanDerWaalsContact C-N 3.34Å; E192-D195 PolarHBondContact O-N 3.43Å; E192-R196 WeakPolarHBondContact O-CB 3.36Å; E192-R196 PolarHBondContact O-N 3.42Å
193	D	58	Low	52.7	Low	72 Å²	72	81.3 Å²	81.3	39%	0.385	44%	0.441	S	S	.	.	H	α-helix	trans	-70.1	-34.9	175.6	-64.1	-41.9	0	0	0	111.2	P188 T190 R196 T197	P188-D193 HydrophobicContact CB-CB 3.61Å; T190-D193 PolarHBondContact O-N 3.3Å; T190-D193 WeakPolarHBondContact OG1-CB 3.41Å; T190-D193 PolarHBondContact OG1-N 3.45Å; T190-D193 PolarHBondContact OG1-OD2 3.14Å; D193-R196 PolarHBondContact O-N 3.13Å; D193-T197 WeakPolarHBondContact O-CB 3.37Å; D193-T197 PolarHBondContact O-N 2.92Å; D193-T197 PolarHBondContact O-OG1 3.42Å
194	L	58.4	Low	53.5	Low	8 Å²	8	76.4 Å²	76.4	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-64.2	-46.6	173.5	-175.4	63.6	0	0	0	111.3	P188 T190 E192 R196 T197 I198 Y321 W338	P188-L194 HydrophobicContact CB-CB 4.08Å; P188-L194 HydrophobicContact CG-CD1 4.29Å; T190-L194 PolarHBondContact O-N 2.73Å; E192-L194 VanDerWaalsContact C-N 3.34Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.76Å; L194-T197 PolarHBondContact O-N 2.71Å; L194-I198 HydrophobicContact CD1-CD1 4.04Å; L194-I198 HydrophobicContact CG-CD1 3.81Å; L194-I198 WeakPolarHBondContact O-CD1 3.43Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.46Å; L194-I198 PolarHBondContact O-N 3.38Å; L194-Y321 HydrophobicContact CD2-CD1 4.26Å; L194-Y321 HydrophobicContact CD2-CD2 3.49Å; L194-Y321 VanDerWaalsContact CD2-CD2 3.49Å; L194-Y321 HydrophobicContact CD2-CE2 3.87Å; L194-Y321 HydrophobicContact CD2-CG 3.7Å; L194-W338 HydrophobicContact CD1-CZ2 4.22Å; L194-W338 HydrophobicContact CD2-CH2 4.29Å
195	D	53.5	Low	55.1	Low	59 Å²	59	75.6 Å²	75.6	32%	0.316	39%	0.394	S	S	.	.	H	α-helix	trans	-60.6	-40.5	175.9	-164.3	46.1	0	0	0	111.3	L191 E192 T197 I198 A199 R269	L191-D195 WeakPolarHBondContact O-CB 3.3Å; L191-D195 PolarHBondContact O-N 3.42Å; E192-D195 PolarHBondContact O-N 3.43Å; D195-T197 PolarHBondContact O-N 3.28Å; D195-I198 PolarHBondContact O-N 2.87Å; D195-A199 WeakPolarHBondContact O-CB 3.16Å; D195-A199 PolarHBondContact O-N 2.61Å; D195-R269 IonicContact OD2-CZ 2.85Å; D195-R269 IonicContact OD2-NH2 3.98Å; D195-R269 PolarHBondContact OD2-NH2 3.12Å
196	R	61.1	Low	56.1	Low	191 Å²	191	74 Å²	74	72%	0.721	38%	0.377	S	S	*	.	H	α-helix	trans	-64.9	-38.3	175.5	-168.8	176.7	-175.3	-179.8	0.5	112.8	E192 D193 L194 A199	E192-R196 WeakPolarHBondContact O-CB 3.36Å; E192-R196 PolarHBondContact O-N 3.42Å; D193-R196 PolarHBondContact O-N 3.13Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.76Å; R196-A199 WeakPolarHBondContact O-CB 3.34Å; R196-A199 PolarHBondContact O-N 2.86Å
197	T	62.2	Low	57.3	Low	42 Å²	42	65.8 Å²	65.8	26%	0.258	34%	0.34	S	S	.	.	H	α-helix	trans	-71.5	-38.6	179.1	-56.1	0	0	0	0	111	P188 D193 L194 D195 A199 T200 F201 L211	P188-T197 HydrophobicContact CG-CG2 4.5Å; P188-T197 WeakPolarHBondContact CG-OG1 3.08Å; D193-T197 WeakPolarHBondContact O-CB 3.37Å; D193-T197 PolarHBondContact O-N 2.92Å; D193-T197 PolarHBondContact O-OG1 3.42Å; L194-T197 PolarHBondContact O-N 2.71Å; D195-T197 PolarHBondContact O-N 3.28Å; T197-A199 VanDerWaalsContact C-N 3.29Å; T197-A199 PolarHBondContact O-N 2.95Å; T197-T200 PolarHBondContact O-N 2.68Å; T197-T200 PolarHBondContact O-OG1 2.96Å; T197-F201 HydrophobicContact CG2-CE2 4.41Å; T197-F201 VanDerWaalsContact O-CD2 3.23Å; T197-F201 WeakPolarHBondContact O-CD2 3.34Å; T197-F201 WeakPolarHBondContact O-CE2 3.19Å; T197-L211 HydrophobicContact CG2-CD2 4.35Å
198	I	57.4	Low	58	Low	11 Å²	11	63.4 Å²	63.4	6%	0.056	33%	0.325	C	S	.	.	H	α-helix	trans	-69.3	-33.9	176.1	-68.1	157.9	0	0	0	110.7	L194 D195 T200 F201 L207 V278 F280 W338	L194-I198 HydrophobicContact CD1-CD1 4.04Å; L194-I198 HydrophobicContact CG-CD1 3.81Å; L194-I198 WeakPolarHBondContact O-CD1 3.43Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.46Å; L194-I198 PolarHBondContact O-N 3.38Å; D195-I198 PolarHBondContact O-N 2.87Å; I198-T200 PolarHBondContact O-N 2.81Å; I198-F201 PolarHBondContact O-N 2.76Å; I198-L207 HydrophobicContact CB-CD1 4.5Å; I198-L207 HydrophobicContact CG1-CD1 3.93Å; I198-L207 HydrophobicContact CG1-CD2 4.07Å; I198-L207 HydrophobicContact CG2-CD2 4.33Å; I198-V278 HydrophobicContact CD1-CB 4.4Å; I198-V278 HydrophobicContact CD1-CG1 3.41Å; I198-V278 VanDerWaalsContact CD1-CG1 3.41Å; I198-F280 HydrophobicContact CG2-CD2 4.4Å; I198-W338 HydrophobicContact CD1-CH2 3.27Å; I198-W338 HydrophobicContact CD1-CZ2 3.71Å; I198-W338 HydrophobicContact CD1-CZ3 4.27Å; I198-W338 HydrophobicContact CG1-CH2 4.32Å; I198-W338 HydrophobicContact CG1-CZ2 4.38Å
199	A	58.3	Low	58.9	Low	55 Å²	55	65.9 Å²	65.9	46%	0.455	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.3	175.7	0	0	0	0	0	113.9	D195 R196 T197 R282	D195-A199 WeakPolarHBondContact O-CB 3.16Å; D195-A199 PolarHBondContact O-N 2.61Å; R196-A199 WeakPolarHBondContact O-CB 3.34Å; R196-A199 PolarHBondContact O-N 2.86Å; T197-A199 VanDerWaalsContact C-N 3.29Å; T197-A199 PolarHBondContact O-N 2.95Å; A199-R282 PolarHBondContact O-NH2 3.48Å
200	T	64.6	Low	59.9	Low	95 Å²	95	59.9 Å²	59.9	58%	0.583	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.4	178.6	59.7	0	0	0	0	114.3	T197 I198	T197-T200 PolarHBondContact O-N 2.68Å; T197-T200 PolarHBondContact O-OG1 2.96Å; I198-T200 PolarHBondContact O-N 2.81Å
201	F	60.7	Low	60.2	Low	48 Å²	48	59.7 Å²	59.7	21%	0.211	31%	0.309	C	S	.	.			trans	-114.7	145.2	-175.9	-58.8	-77.5	0	0	0	111.9	T197 I198 Q206 L207 S210 R282	T197-F201 HydrophobicContact CG2-CE2 4.41Å; T197-F201 VanDerWaalsContact O-CD2 3.23Å; T197-F201 WeakPolarHBondContact O-CD2 3.34Å; T197-F201 WeakPolarHBondContact O-CE2 3.19Å; I198-F201 PolarHBondContact O-N 2.76Å; F201-Q206 HydrophobicContact CB-CB 4.32Å; F201-Q206 HydrophobicContact CD1-CB 3.97Å; F201-L207 HydrophobicContact CB-CB 4.13Å; F201-L207 HydrophobicContact CD2-CB 4.44Å; F201-L207 HydrophobicContact CD2-CD1 3.62Å; F201-L207 HydrophobicContact CE2-CD1 4.23Å; F201-L207 HydrophobicContact CG-CB 4.38Å; F201-L207 HydrophobicContact CG-CD1 4.35Å; F201-S210 VanDerWaalsContact CE2-OG 3.26Å; F201-S210 WeakPolarHBondContact CE2-OG 3.44Å; F201-S210 WeakPolarHBondContact CZ-OG 3.32Å; F201-R282 PolarHBondContact O-NH2 2.98Å; F201-R282 VanDerWaalsContact O-NH2 3.1Å
202	D	52.2	Low	60.9	Low	76 Å²	76	56.9 Å²	56.9	41%	0.406	30%	0.296	S	S	.	.	S	Bend	trans	-105.3	-11.3	-175.8	-71.1	-32.3	0	0	0	113.6	H251 F280 R282	D202-H251 PolarHBondContact O-CD2 2.82Å; D202-H251 PolarHBondContact O-NE2 3.07Å; D202-F280 WeakPolarHBondContact O-CZ 3.18Å; D202-R282 IonicContact OD1-CZ 3.52Å; D202-R282 IonicContact OD1-NH1 3.93Å; D202-R282 PolarHBondContact OD1-NH1 3.23Å; D202-R282 IonicContact OD1-NH2 2.96Å; D202-R282 PolarHBondContact OD1-NH2 3.28Å
203	T	53.3	Low	61.5	Low	30 Å²	30	54 Å²	54	18%	0.184	29%	0.289	C	S	.	.	S	Bend	trans	-133	153.2	172.8	85.9	0	0	0	0	111.6	E205 Q206 L207 N248	T203-E205 VanDerWaalsContact C-N 3.25Å; T203-E205 VanDerWaalsContact CB-OE2 3.32Å; T203-E205 WeakPolarHBondContact CB-OE2 3.34Å; T203-E205 PolarHBondContact O-N 2.64Å; T203-E205 PolarHBondContact OG1-OE2 2.85Å; T203-E205 VanDerWaalsContact OG1-OE2 3.09Å; T203-Q206 PolarHBondContact O-N 3.05Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.03Å; T203-Q206 PolarHBondContact OG1-N 2.8Å; T203-Q206 VanDerWaalsContact OG1-N 3.17Å; T203-L207 PolarHBondContact O-N 3.49Å; T203-N248 WeakPolarHBondContact CG2-OD1 3.09Å
204	I	55.8	Low	61.6	Low	7 Å²	7	57.8 Å²	57.8	4%	0.036	31%	0.309	C	S	.	.	H	α-helix	trans	-64.5	-33.8	176.5	-78.2	157	0	0	0	110.9	L207 L208 L220 L247 F280 L319	I204-L207 PolarHBondContact O-N 3.18Å; I204-L208 HydrophobicContact CG2-CD1 3.58Å; I204-L208 HydrophobicContact CG2-CG 4.06Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.35Å; I204-L208 PolarHBondContact O-N 3.32Å; I204-L220 HydrophobicContact CG2-CD1 3.75Å; I204-L247 HydrophobicContact CD1-CB 4.13Å; I204-L247 HydrophobicContact CD1-CD1 3.18Å; I204-L247 HydrophobicContact CD1-CG 4.23Å; I204-F280 HydrophobicContact CB-CE1 4.46Å; I204-F280 HydrophobicContact CD1-CD1 3.35Å; I204-F280 HydrophobicContact CD1-CE1 3.78Å; I204-F280 HydrophobicContact CD1-CG 4.1Å; I204-F280 HydrophobicContact CG1-CB 4.46Å; I204-F280 HydrophobicContact CG1-CD1 3.31Å; I204-F280 HydrophobicContact CG1-CD2 4.35Å; I204-F280 HydrophobicContact CG1-CE1 3.52Å; I204-F280 HydrophobicContact CG1-CG 3.77Å; I204-F280 HydrophobicContact CG1-CZ 4.14Å; I204-L319 HydrophobicContact CD1-CD1 3.63Å; I204-L319 HydrophobicContact CG1-CD1 4.34Å
205	E	63.5	Low	61.7	Low	46 Å²	46	59.3 Å²	59.3	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-44	175.5	-60.3	79.3	-170.3	0	0	111.4	T203 L208 Q209 W216 L220	T203-E205 VanDerWaalsContact C-N 3.25Å; T203-E205 VanDerWaalsContact CB-OE2 3.32Å; T203-E205 WeakPolarHBondContact CB-OE2 3.34Å; T203-E205 PolarHBondContact O-N 2.64Å; T203-E205 PolarHBondContact OG1-OE2 2.85Å; T203-E205 VanDerWaalsContact OG1-OE2 3.09Å; E205-L208 PolarHBondContact O-N 3.34Å; E205-Q209 VanDerWaalsContact O-CB 3.23Å; E205-Q209 WeakPolarHBondContact O-CB 3.32Å; E205-Q209 WeakPolarHBondContact O-CG 3.18Å; E205-Q209 PolarHBondContact O-N 3.5Å; E205-W216 HydrophobicContact CB-CZ3 4.25Å; E205-W216 HydrophobicContact CG-CZ3 4.32Å; E205-L220 HydrophobicContact CG-CD1 4.11Å; E205-L220 HydrophobicContact CG-CD2 4.09Å
206	Q	64.1	Low	62.5	Low	89 Å²	89	58.4 Å²	58.4	42%	0.416	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-42.8	177.2	-71.9	173.5	-7.8	0	0	111.6	F201 T203 Q209 S210	F201-Q206 HydrophobicContact CB-CB 4.32Å; F201-Q206 HydrophobicContact CD1-CB 3.97Å; T203-Q206 PolarHBondContact O-N 3.05Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.03Å; T203-Q206 PolarHBondContact OG1-N 2.8Å; T203-Q206 VanDerWaalsContact OG1-N 3.17Å; Q206-Q209 PolarHBondContact O-N 3.05Å; Q206-S210 WeakPolarHBondContact O-CB 3.19Å; Q206-S210 PolarHBondContact O-N 3.21Å
207	L	68.3	Low	62.3	Low	7 Å²	7	57.8 Å²	57.8	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-52.6	176.1	178.8	66.4	0	0	0	111.1	I198 F201 T203 I204 Q209 S210 L211	I198-L207 HydrophobicContact CB-CD1 4.5Å; I198-L207 HydrophobicContact CG1-CD1 3.93Å; I198-L207 HydrophobicContact CG1-CD2 4.07Å; I198-L207 HydrophobicContact CG2-CD2 4.33Å; F201-L207 HydrophobicContact CB-CB 4.13Å; F201-L207 HydrophobicContact CD2-CB 4.44Å; F201-L207 HydrophobicContact CD2-CD1 3.62Å; F201-L207 HydrophobicContact CE2-CD1 4.23Å; F201-L207 HydrophobicContact CG-CB 4.38Å; F201-L207 HydrophobicContact CG-CD1 4.35Å; T203-L207 PolarHBondContact O-N 3.49Å; I204-L207 PolarHBondContact O-N 3.18Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-Q209 PolarHBondContact O-N 3.22Å; L207-S210 PolarHBondContact O-N 3.3Å; L207-S210 VanDerWaalsContact O-N 3.13Å; L207-S210 PolarHBondContact O-OG 3.4Å; L207-L211 HydrophobicContact CD1-CD1 3.76Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 3.88Å; L207-L211 WeakPolarHBondContact O-CG 3.06Å; L207-L211 PolarHBondContact O-N 3.06Å
208	L	64.8	Low	62.1	Low	7 Å²	7	61.5 Å²	61.5	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-66.6	-35.2	-178.7	-68.7	173.7	0	0	0	112.4	I204 E205 S210 L211 S212 W216 L220 I223	I204-L208 HydrophobicContact CG2-CD1 3.58Å; I204-L208 HydrophobicContact CG2-CG 4.06Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 VanDerWaalsContact O-CG 3.3Å; I204-L208 WeakPolarHBondContact O-CG 3.35Å; I204-L208 PolarHBondContact O-N 3.32Å; E205-L208 PolarHBondContact O-N 3.34Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 3.21Å; L208-L211 PolarHBondContact O-N 3.45Å; L208-S212 CarbonylContact O-C 3.53Å; L208-S212 WeakPolarHBondContact O-CA 3.49Å; L208-S212 PolarHBondContact O-N 3.4Å; L208-W216 HydrophobicContact CB-CB 3.87Å; L208-W216 WeakPolarHBondContact O-CB 3.31Å; L208-L220 HydrophobicContact CD1-CB 3.98Å; L208-L220 HydrophobicContact CD1-CD1 3.71Å; L208-L220 HydrophobicContact CD1-CG 4.49Å; L208-I223 HydrophobicContact CD1-CD1 3.71Å; L208-I223 HydrophobicContact CD2-CD1 4.39Å
209	Q	69.3	Low	62.2	Low	81 Å²	81	62.3 Å²	62.3	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-36.9	172.1	-78.5	171.5	16.1	0	0	112.2	E205 Q206 L207 P213 W216	E205-Q209 VanDerWaalsContact O-CB 3.23Å; E205-Q209 WeakPolarHBondContact O-CB 3.32Å; E205-Q209 WeakPolarHBondContact O-CG 3.18Å; E205-Q209 PolarHBondContact O-N 3.5Å; Q206-Q209 PolarHBondContact O-N 3.05Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-Q209 PolarHBondContact O-N 3.22Å; Q209-P213 VanDerWaalsContact O-CA 3.31Å; Q209-P213 WeakPolarHBondContact O-CA 3.39Å; Q209-P213 WeakPolarHBondContact O-CB 3.06Å; Q209-W216 HydrophobicContact CB-CG 4.45Å; Q209-W216 HydrophobicContact CG-CB 4.35Å; Q209-W216 HydrophobicContact CG-CD2 3.4Å; Q209-W216 VanDerWaalsContact CG-CE2 3.47Å; Q209-W216 HydrophobicContact CG-CE3 3.88Å; Q209-W216 HydrophobicContact CG-CG 3.61Å; Q209-W216 HydrophobicContact CG-CH2 4.44Å; Q209-W216 HydrophobicContact CG-CZ2 4.01Å; Q209-W216 HydrophobicContact CG-CZ3 4.38Å
210	S	72.3	Confident	62.2	Low	55 Å²	55	60.9 Å²	60.9	39%	0.385	31%	0.312	S	S	.	.	H	α-helix	trans	-73.8	-39.6	178.2	77.2	0	0	0	0	113	F201 Q206 L207 L208	F201-S210 VanDerWaalsContact CE2-OG 3.26Å; F201-S210 WeakPolarHBondContact CE2-OG 3.44Å; F201-S210 WeakPolarHBondContact CZ-OG 3.32Å; Q206-S210 WeakPolarHBondContact O-CB 3.19Å; Q206-S210 PolarHBondContact O-N 3.21Å; L207-S210 PolarHBondContact O-N 3.3Å; L207-S210 VanDerWaalsContact O-N 3.13Å; L207-S210 PolarHBondContact O-OG 3.4Å; L208-S210 VanDerWaalsContact C-N 3.29Å; L208-S210 PolarHBondContact O-N 3.21Å
211	L	61.1	Low	61.9	Low	54 Å²	54	59.8 Å²	59.8	28%	0.283	30%	0.303	S	S	.	.	H	α-helix	trans	-82	-37.3	-176.1	-66.9	176.2	0	0	0	112.5	T197 L207 L208	T197-L211 HydrophobicContact CG2-CD2 4.35Å; L207-L211 HydrophobicContact CD1-CD1 3.76Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 3.88Å; L207-L211 WeakPolarHBondContact O-CG 3.06Å; L207-L211 PolarHBondContact O-N 3.06Å; L208-L211 PolarHBondContact O-N 3.45Å
212	S	64.8	Low	61.6	Low	23 Å²	23	59.1 Å²	59.1	16%	0.161	30%	0.301	C	S	.	.			trans	-140	66.1	-172.3	-59.1	0	0	0	0	111.3	L208 D214 T215 W216	L208-S212 CarbonylContact O-C 3.53Å; L208-S212 WeakPolarHBondContact O-CA 3.49Å; L208-S212 PolarHBondContact O-N 3.4Å; S212-D214 PolarHBondContact O-N 2.92Å; S212-T215 PolarHBondContact O-N 3.19Å; S212-T215 VanDerWaalsContact O-N 3.13Å; S212-W216 WeakPolarHBondContact O-CB 2.75Å; S212-W216 PolarHBondContact O-N 3.11Å
213	P	68.9	Low	61.6	Low	79 Å²	79	56.3 Å²	56.3	51%	0.513	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-26.6	-169.9	20.7	-32.6	0	0	0	114.7	Q209 W216	Q209-P213 VanDerWaalsContact O-CA 3.31Å; Q209-P213 WeakPolarHBondContact O-CA 3.39Å; Q209-P213 WeakPolarHBondContact O-CB 3.06Å; P213-W216 VanDerWaalsContact O-CD1 3.24Å
214	D	58.3	Low	61.3	Low	150 Å²	150	57.1 Å²	57.1	80%	0.802	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-23.6	-177.7	-57.9	-44.7	0	0	0	113.3	S212	S212-D214 PolarHBondContact O-N 2.92Å
215	T	61.7	Low	60.7	Low	41 Å²	41	60.3 Å²	60.3	25%	0.252	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-3.8	-172.8	61.4	0	0	0	0	114.2	S212 R217 Q218 D219	S212-T215 PolarHBondContact O-N 3.19Å; S212-T215 VanDerWaalsContact O-N 3.13Å; T215-R217 PolarHBondContact O-N 3.49Å; T215-Q218 WeakPolarHBondContact O-CA 3.19Å; T215-Q218 PolarHBondContact O-N 2.93Å; T215-D219 WeakPolarHBondContact CB-OD2 3.41Å; T215-D219 PolarHBondContact O-N 3.35Å; T215-D219 PolarHBondContact OG1-OD2 2.99Å
216	W	69.4	Low	59.6	Low	39 Å²	39	63.2 Å²	63.2	15%	0.148	32%	0.32	C	S	.	.	H	α-helix	trans	-52.6	-35.1	-172.9	74.4	-88.4	0	0	0	114.4	E205 L208 Q209 S212 P213 L220	E205-W216 HydrophobicContact CB-CZ3 4.25Å; E205-W216 HydrophobicContact CG-CZ3 4.32Å; L208-W216 HydrophobicContact CB-CB 3.87Å; L208-W216 WeakPolarHBondContact O-CB 3.31Å; Q209-W216 HydrophobicContact CB-CG 4.45Å; Q209-W216 HydrophobicContact CG-CB 4.35Å; Q209-W216 HydrophobicContact CG-CD2 3.4Å; Q209-W216 VanDerWaalsContact CG-CE2 3.47Å; Q209-W216 HydrophobicContact CG-CE3 3.88Å; Q209-W216 HydrophobicContact CG-CG 3.61Å; Q209-W216 HydrophobicContact CG-CH2 4.44Å; Q209-W216 HydrophobicContact CG-CZ2 4.01Å; Q209-W216 HydrophobicContact CG-CZ3 4.38Å; S212-W216 WeakPolarHBondContact O-CB 2.75Å; S212-W216 PolarHBondContact O-N 3.11Å; P213-W216 VanDerWaalsContact O-CD1 3.24Å; W216-L220 HydrophobicContact CZ3-CD2 4.21Å; W216-L220 WeakPolarHBondContact O-CA 3.3Å; W216-L220 WeakPolarHBondContact O-CB 3.23Å; W216-L220 PolarHBondContact O-N 3.45Å
217	R	58.3	Low	58.4	Low	178 Å²	178	61.4 Å²	61.4	67%	0.672	32%	0.315	S	S	*	.	H	α-helix	trans	-67.9	-41	178.2	-70.8	-168	-180	101.1	-0.9	111.9	T215 D221	T215-R217 PolarHBondContact O-N 3.49Å; R217-D221 VanDerWaalsContact O-CB 3.3Å; R217-D221 WeakPolarHBondContact O-CB 3.28Å; R217-D221 PolarHBondContact O-N 3.43Å
218	Q	58	Low	56.9	Low	121 Å²	121	69.4 Å²	69.4	57%	0.565	35%	0.346	S	S	*	.	H	α-helix	trans	-74.4	-37.3	178.1	-172.8	164	12.1	0	0	110.5	T215 D221 N222	T215-Q218 WeakPolarHBondContact O-CA 3.19Å; T215-Q218 PolarHBondContact O-N 2.93Å; Q218-D221 PolarHBondContact O-N 2.77Å; Q218-N222 WeakPolarHBondContact O-CB 3.45Å; Q218-N222 PolarHBondContact O-N 2.97Å; Q218-N222 PolarHBondContact O-ND2 2.91Å; Q218-N222 VanDerWaalsContact O-ND2 3.13Å; Q218-N222 PolarHBondContact O-OD1 3.33Å
219	D	57.9	Low	55.5	Low	27 Å²	27	71 Å²	71	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-68.2	-41.6	175.3	-61.3	-29.7	0	0	0	111.1	T215 N222 I223 R335	T215-D219 WeakPolarHBondContact CB-OD2 3.41Å; T215-D219 PolarHBondContact O-N 3.35Å; T215-D219 PolarHBondContact OG1-OD2 2.99Å; D219-N222 PolarHBondContact O-N 2.8Å; D219-I223 WeakPolarHBondContact O-CD1 3.46Å; D219-I223 WeakPolarHBondContact O-CG1 3.47Å; D219-I223 PolarHBondContact O-N 2.88Å; D219-R335 IonicContact OD1-NH2 3.69Å
220	L	60	Low	54	Low	25 Å²	25	70.2 Å²	70.2	13%	0.131	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-50	171.3	-173.1	86.7	0	0	0	110.5	I204 E205 L208 W216 N222 I223 Y224	I204-L220 HydrophobicContact CG2-CD1 3.75Å; E205-L220 HydrophobicContact CG-CD1 4.11Å; E205-L220 HydrophobicContact CG-CD2 4.09Å; L208-L220 HydrophobicContact CD1-CB 3.98Å; L208-L220 HydrophobicContact CD1-CD1 3.71Å; L208-L220 HydrophobicContact CD1-CG 4.49Å; W216-L220 HydrophobicContact CZ3-CD2 4.21Å; W216-L220 WeakPolarHBondContact O-CA 3.3Å; W216-L220 WeakPolarHBondContact O-CB 3.23Å; W216-L220 PolarHBondContact O-N 3.45Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 2.8Å; L220-I223 WeakPolarHBondContact O-CB 3.45Å; L220-I223 PolarHBondContact O-N 3.35Å; L220-Y224 HydrophobicContact CD1-CE2 3.95Å; L220-Y224 HydrophobicContact CG-CD2 4.26Å; L220-Y224 HydrophobicContact CG-CE2 3.84Å; L220-Y224 WeakPolarHBondContact O-CD2 3.27Å; L220-Y224 PolarHBondContact O-N 2.79Å
221	D	56.5	Low	52.3	Low	73 Å²	73	73.7 Å²	73.7	39%	0.39	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-42.7	178.3	-162.2	60.6	0	0	0	110.9	R217 Q218 I223 Y224 T225	R217-D221 VanDerWaalsContact O-CB 3.3Å; R217-D221 WeakPolarHBondContact O-CB 3.28Å; R217-D221 PolarHBondContact O-N 3.43Å; Q218-D221 PolarHBondContact O-N 2.77Å; D221-I223 VanDerWaalsContact C-N 3.32Å; D221-I223 PolarHBondContact O-N 2.88Å; D221-Y224 CarbonylContact O-C 3.42Å; D221-Y224 WeakPolarHBondContact O-CA 3.39Å; D221-Y224 PolarHBondContact O-N 3.13Å; D221-T225 VanDerWaalsContact O-CB 3.31Å; D221-T225 WeakPolarHBondContact O-CB 3.37Å; D221-T225 VanDerWaalsContact O-CG2 3.31Å; D221-T225 WeakPolarHBondContact O-CG2 3.18Å; D221-T225 PolarHBondContact O-N 3.31Å; D221-T225 PolarHBondContact O-OG1 2.88Å; D221-T225 WeakPolarHBondContact OD2-CG2 3.35Å
222	N	54.3	Low	51.3	Low	33 Å²	33	76 Å²	76	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-34	175.4	-72.5	-20.4	0	0	0	112.8	Q218 D219 L220 Y224 T225 Q226	Q218-N222 WeakPolarHBondContact O-CB 3.45Å; Q218-N222 PolarHBondContact O-N 2.97Å; Q218-N222 PolarHBondContact O-ND2 2.91Å; Q218-N222 VanDerWaalsContact O-ND2 3.13Å; Q218-N222 PolarHBondContact O-OD1 3.33Å; D219-N222 PolarHBondContact O-N 2.8Å; L220-N222 VanDerWaalsContact C-N 3.34Å; L220-N222 PolarHBondContact O-N 2.8Å; N222-Y224 PolarHBondContact O-N 2.65Å; N222-T225 PolarHBondContact O-N 3.12Å; N222-Q226 HydrophobicContact CB-CB 4.16Å; N222-Q226 CarbonylContact O-C 3.49Å; N222-Q226 VanDerWaalsContact O-CA 3.23Å; N222-Q226 WeakPolarHBondContact O-CA 3.2Å; N222-Q226 WeakPolarHBondContact O-CB 3.33Å; N222-Q226 PolarHBondContact O-N 2.77Å; N222-Q226 PolarHBondContact OD1-OE1 2.61Å
223	I	53	Low	50	Low	17 Å²	17	75.7 Å²	75.7	9%	0.087	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-35.6	172	-73.2	159.7	0	0	0	110.5	L208 D219 L220 D221 W338 I340	L208-I223 HydrophobicContact CD1-CD1 3.71Å; L208-I223 HydrophobicContact CD2-CD1 4.39Å; D219-I223 WeakPolarHBondContact O-CD1 3.46Å; D219-I223 WeakPolarHBondContact O-CG1 3.47Å; D219-I223 PolarHBondContact O-N 2.88Å; L220-I223 WeakPolarHBondContact O-CB 3.45Å; L220-I223 PolarHBondContact O-N 3.35Å; D221-I223 VanDerWaalsContact C-N 3.32Å; D221-I223 PolarHBondContact O-N 2.88Å; I223-W338 HydrophobicContact CD1-CB 4.12Å; I223-I340 HydrophobicContact CG2-CD1 4.15Å; I223-I340 HydrophobicContact CG2-CG1 4.29Å
224	Y	47.5	Very low	48.5	Very low	47 Å²	47	79.8 Å²	79.8	18%	0.184	37%	0.366	C	S	.	.	H	α-helix	trans	-93	-22.8	179.6	-64.1	-68.5	0	0	0	114.6	L220 D221 N222 L247	L220-Y224 HydrophobicContact CD1-CE2 3.95Å; L220-Y224 HydrophobicContact CG-CD2 4.26Å; L220-Y224 HydrophobicContact CG-CE2 3.84Å; L220-Y224 WeakPolarHBondContact O-CD2 3.27Å; L220-Y224 PolarHBondContact O-N 2.79Å; D221-Y224 CarbonylContact O-C 3.42Å; D221-Y224 WeakPolarHBondContact O-CA 3.39Å; D221-Y224 PolarHBondContact O-N 3.13Å; N222-Y224 PolarHBondContact O-N 2.65Å; Y224-L247 HydrophobicContact CE1-CD1 3.95Å; Y224-L247 HydrophobicContact CE1-CG 4.31Å; Y224-L247 WeakPolarHBondContact OH-CD1 2.93Å; Y224-L247 WeakPolarHBondContact OH-CG 3.47Å
225	T	41.8	Very low	47.6	Very low	74 Å²	74	75.2 Å²	75.2	45%	0.454	35%	0.346	S	S	.	.	H	α-helix	trans	-114.5	-30.2	-171.7	64.5	0	0	0	0	113.7	D221 N222	D221-T225 VanDerWaalsContact O-CB 3.31Å; D221-T225 WeakPolarHBondContact O-CB 3.37Å; D221-T225 VanDerWaalsContact O-CG2 3.31Å; D221-T225 WeakPolarHBondContact O-CG2 3.18Å; D221-T225 PolarHBondContact O-N 3.31Å; D221-T225 PolarHBondContact O-OG1 2.88Å; D221-T225 WeakPolarHBondContact OD2-CG2 3.35Å; N222-T225 PolarHBondContact O-N 3.12Å
226	Q	40.6	Very low	46.5	Very low	107 Å²	107	78.1 Å²	78.1	50%	0.5	35%	0.353	S	S	.	.			trans	-116.7	64.7	179.6	-71.1	-171.6	-11.2	0	0	111.3	N222	N222-Q226 HydrophobicContact CB-CB 4.16Å; N222-Q226 CarbonylContact O-C 3.49Å; N222-Q226 VanDerWaalsContact O-CA 3.23Å; N222-Q226 WeakPolarHBondContact O-CA 3.2Å; N222-Q226 WeakPolarHBondContact O-CB 3.33Å; N222-Q226 PolarHBondContact O-N 2.77Å; N222-Q226 PolarHBondContact OD1-OE1 2.61Å
227	T	40.6	Very low	45.1	Very low	52 Å²	52	81 Å²	81	32%	0.319	37%	0.368	S	S	.	.			trans	-70.2	128.9	148.8	45.6	0	0	0	0	107.7	I229	T227-I229 PolarHBondContact O-N 3.06Å
228	Y	35.3	Very low	44.3	Very low	174 Å²	174	79.9 Å²	79.9	68%	0.682	38%	0.375	S	S	*	.			trans	-57.6	86.8	160.2	-97.5	-98.7	0	0	0	108.5	Y230	Y228-Y230 PolarHBondContact O-N 2.92Å
229	I	36.6	Very low	43.3	Very low	40 Å²	40	75.6 Å²	75.6	21%	0.205	36%	0.36	C	S	.	.	S	Bend	trans	49.4	-4.2	134.7	-32.4	-171.8	0	0	0	120.6	K44 E46 T227	K44-I229 HydrophobicContact CD-CG2 3.41Å; K44-I229 VanDerWaalsContact CD-CG2 3.41Å; E46-I229 WeakPolarHBondContact OE1-CD1 3.24Å; E46-I229 WeakPolarHBondContact OE1-CG2 3.29Å; T227-I229 PolarHBondContact O-N 3.06Å
230	Y	36.1	Very low	42.3	Very low	66 Å²	66	78.9 Å²	78.9	26%	0.259	39%	0.385	S	S	.	.	S	Bend	trans	-113.6	-8.6	-174.1	-68.2	-38.6	0	0	0	117.3	F58 S59 P60 Y228	F58-Y230 PolarHBondContact O-OH 3.43Å; S59-Y230 VanDerWaalsContact C-OH 3.24Å; S59-Y230 PolarHBondContact O-OH 3.46Å; S59-Y230 VanDerWaalsContact O-OH 3.12Å; P60-Y230 HydrophobicContact CB-CD1 3.14Å; P60-Y230 HydrophobicContact CB-CE1 3.44Å; P60-Y230 VanDerWaalsContact CB-CE1 3.44Å; P60-Y230 HydrophobicContact CB-CG 3.8Å; P60-Y230 HydrophobicContact CG-CD1 3.34Å; P60-Y230 HydrophobicContact CG-CE1 3.31Å; P60-Y230 HydrophobicContact CG-CG 4.44Å; Y228-Y230 PolarHBondContact O-N 2.92Å
231	Y	36.5	Very low	41.3	Very low	128 Å²	128	90 Å²	90	50%	0.502	43%	0.425	S	S	.	.			trans	-165	136.7	167.6	-150.2	-108.8	0	0	0	110.9	E342	Y231-E342 VanDerWaalsContact CD1-CD 3.43Å; Y231-E342 WeakPolarHBondContact CD1-OE1 3.12Å; Y231-E342 WeakPolarHBondContact CD1-OE2 3.47Å; Y231-E342 WeakPolarHBondContact CE1-OE1 3.43Å; Y231-E342 WeakPolarHBondContact CE1-OE2 3.33Å
232	R	40.8	Very low	40.4	Very low	101 Å²	101	95 Å²	95	38%	0.381	45%	0.446	S	S	.	.			trans	-109.3	124.2	162.8	-87.4	177.7	170.2	170.8	1.5	106.4	Y236	R232-Y236 HydrophobicContact CB-CD1 4.23Å; R232-Y236 VanDerWaalsContact CD-CE1 3.48Å; R232-Y236 HydrophobicContact CG-CD1 4.15Å; R232-Y236 HydrophobicContact CG-CE1 4.42Å; R232-Y236 HydrophobicContact CG-CG 4.46Å; R232-Y236 PolarHBondContact NH2-OH 2.72Å
233	S	37.6	Very low	39.7	Very low	17 Å²	17	99.2 Å²	99.2	12%	0.119	47%	0.468	C	S	.	.			trans	-62.7	153.2	-175.6	72.6	0	0	0	0	111.8	S235 Y236 H237 E317 E342	S233-S235 PolarHBondContact O-N 2.74Å; S233-Y236 VanDerWaalsContact O-CB 3.31Å; S233-Y236 WeakPolarHBondContact O-CB 3.33Å; S233-Y236 PolarHBondContact O-N 2.77Å; S233-H237 PolarHBondContact O-CD2 2.96Å; S233-H237 PolarHBondContact O-N 2.85Å; S233-E317 WeakPolarHBondContact CB-OE1 3.38Å; S233-E317 PolarHBondContact OG-OE1 3.46Å; S233-E317 PolarHBondContact OG-OE2 3.24Å; S233-E342 WeakPolarHBondContact CA-OE1 3.09Å; S233-E342 WeakPolarHBondContact CB-OE1 3.46Å
234	K	38.8	Very low	38.9	Very low	165 Å²	165	105.1 Å²	105.1	72%	0.717	49%	0.494	S	S	*	.	H	α-helix	trans	-54.5	-29.2	178.7	-103.3	179.7	175.6	176.5	0	113	Y236 H237 L238	K234-Y236 VanDerWaalsContact C-N 3.34Å; K234-H237 PolarHBondContact O-N 2.75Å; K234-L238 PolarHBondContact O-N 2.92Å; K234-L238 VanDerWaalsContact O-N 3.12Å
235	S	38.5	Very low	38.7	Very low	54 Å²	54	105.3 Å²	105.3	38%	0.378	50%	0.5	S	S	.	.	H	α-helix	trans	-63.6	-38.2	177	-48.8	0	0	0	0	112.1	S233 H237 L238 A239 E317	S233-S235 PolarHBondContact O-N 2.74Å; S235-H237 VanDerWaalsContact C-N 3.33Å; S235-L238 PolarHBondContact O-N 2.82Å; S235-A239 PolarHBondContact O-N 2.81Å; S235-E317 WeakPolarHBondContact CB-OE1 3.16Å; S235-E317 PolarHBondContact OG-OE1 2.8Å
236	Y	38	Very low	38.8	Very low	103 Å²	103	106 Å²	106	40%	0.404	50%	0.5	S	S	.	.	H	α-helix	trans	-66.4	-34.8	173.9	-174.2	-84	0	0	0	112.1	R232 S233 K234	R232-Y236 HydrophobicContact CB-CD1 4.23Å; R232-Y236 VanDerWaalsContact CD-CE1 3.48Å; R232-Y236 HydrophobicContact CG-CD1 4.15Å; R232-Y236 HydrophobicContact CG-CE1 4.42Å; R232-Y236 HydrophobicContact CG-CG 4.46Å; R232-Y236 PolarHBondContact NH2-OH 2.72Å; S233-Y236 VanDerWaalsContact O-CB 3.31Å; S233-Y236 WeakPolarHBondContact O-CB 3.33Å; S233-Y236 PolarHBondContact O-N 2.77Å; K234-Y236 VanDerWaalsContact C-N 3.34Å
237	H	41.2	Very low	39	Very low	100 Å²	100	101.9 Å²	101.9	46%	0.463	48%	0.482	S	S	.	.	H	α-helix	trans	-76.4	-28.6	179.9	-73.9	-79.3	0	0	0	113.6	S233 K234 S235 A239	S233-H237 PolarHBondContact O-CD2 2.96Å; S233-H237 PolarHBondContact O-N 2.85Å; K234-H237 PolarHBondContact O-N 2.75Å; S235-H237 VanDerWaalsContact C-N 3.33Å; H237-A239 VanDerWaalsContact C-N 3.33Å
238	L	40	Very low	39.1	Very low	154 Å²	154	101.7 Å²	101.7	81%	0.806	48%	0.479	S	S	*	.	H	α-helix	trans	-77.4	-19.8	174.1	-73.4	164.3	0	0	0	113	K234 S235 S240	K234-L238 PolarHBondContact O-N 2.92Å; K234-L238 VanDerWaalsContact O-N 3.12Å; S235-L238 PolarHBondContact O-N 2.82Å; L238-S240 PolarHBondContact O-N 2.81Å
239	A	38.3	Very low	39.4	Very low	31 Å²	31	101.2 Å²	101.2	26%	0.256	48%	0.476	S	S	.	.	S	Bend	trans	-79.9	98	173.7	0	0	0	0	0	110.5	S235 H237 N243	S235-A239 PolarHBondContact O-N 2.81Å; H237-A239 VanDerWaalsContact C-N 3.33Å; A239-N243 HydrophobicContact CB-CB 4.33Å; A239-N243 VanDerWaalsContact CB-O 3.27Å; A239-N243 WeakPolarHBondContact CB-O 3.28Å
240	S	37.2	Very low	39.7	Very low	95 Å²	95	103.4 Å²	103.4	66%	0.664	49%	0.487	S	S	*	.			trans	-48.1	148.9	160.2	177.5	0	0	0	0	109.8	L238 Q242 N243	L238-S240 PolarHBondContact O-N 2.81Å; S240-Q242 PolarHBondContact O-N 3.16Å; S240-N243 PolarHBondContact O-N 3.12Å
241	R	39.3	Very low	39.9	Very low	260 Å²	260	100.8 Å²	100.8	98%	0.981	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.6	4.7	-172.8	-83	-177.9	172.6	176.9	-2.3	118.4
242	Q	36.3	Very low	40.2	Very low	178 Å²	178	98.2 Å²	98.2	83%	0.832	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-7.1	177.5	-73	-178	-26.3	0	0	115.3	S240	S240-Q242 PolarHBondContact O-N 3.16Å
243	N	39.1	Very low	40.1	Very low	120 Å²	120	95.9 Å²	95.9	64%	0.642	47%	0.467	S	S	*	.			trans	-114.5	95.7	-179.9	-73.7	-12.8	0	0	0	111.4	A239 S240 V245	A239-N243 HydrophobicContact CB-CB 4.33Å; A239-N243 VanDerWaalsContact CB-O 3.27Å; A239-N243 WeakPolarHBondContact CB-O 3.28Å; S240-N243 PolarHBondContact O-N 3.12Å; N243-V245 PolarHBondContact O-N 3.21Å
244	K	37.8	Very low	40.1	Very low	142 Å²	142	96.8 Å²	96.8	62%	0.617	47%	0.472	S	S	*	.			trans	-52.3	139.2	155.3	-97.4	-178.7	170.8	-176.9	0	107.7	D246	K244-D246 PolarHBondContact O-N 3.27Å
245	V	42.8	Very low	40	Very low	51 Å²	51	94.6 Å²	94.6	31%	0.309	46%	0.463	S	S	.	.			trans	-60.4	109.4	168.8	177.5	0	0	0	0	106.5	N243 L247	N243-V245 PolarHBondContact O-N 3.21Å; V245-L247 HydrophobicContact CG1-CD2 3.93Å; V245-L247 PolarHBondContact O-N 2.97Å; V245-L247 VanDerWaalsContact O-N 3.15Å
246	D	43.6	Very low	39.9	Very low	87 Å²	87	100.6 Å²	100.6	47%	0.465	48%	0.477	S	S	.	.			trans	-80.4	95	-179.4	-177.5	-8.4	0	0	0	108.4	K244 N248 R249 L250	K244-D246 PolarHBondContact O-N 3.27Å; D246-N248 PolarHBondContact O-N 3.41Å; D246-N248 WeakPolarHBondContact OD1-CA 3.35Å; D246-N248 WeakPolarHBondContact OD1-CB 3.46Å; D246-N248 PolarHBondContact OD1-N 2.9Å; D246-R249 HydrophobicContact CB-CB 3.77Å; D246-R249 WeakPolarHBondContact O-CB 3.38Å; D246-R249 PolarHBondContact O-N 3.39Å; D246-R249 VanDerWaalsContact O-N 3.08Å; D246-R249 PolarHBondContact OD1-N 2.8Å; D246-L250 PolarHBondContact O-N 2.93Å
247	L	43.8	Very low	39.7	Very low	21 Å²	21	103.5 Å²	103.5	11%	0.11	49%	0.489	C	S	.	.	H	α-helix	trans	-63.3	-21.6	-179.8	-61.9	-178.5	0	0	0	112.2	I204 Y224 V245 L250 H251	I204-L247 HydrophobicContact CD1-CB 4.13Å; I204-L247 HydrophobicContact CD1-CD1 3.18Å; I204-L247 HydrophobicContact CD1-CG 4.23Å; Y224-L247 HydrophobicContact CE1-CD1 3.95Å; Y224-L247 HydrophobicContact CE1-CG 4.31Å; Y224-L247 WeakPolarHBondContact OH-CD1 2.93Å; Y224-L247 WeakPolarHBondContact OH-CG 3.47Å; V245-L247 HydrophobicContact CG1-CD2 3.93Å; V245-L247 PolarHBondContact O-N 2.97Å; V245-L247 VanDerWaalsContact O-N 3.15Å; L247-L250 HydrophobicContact CD2-CD2 4.31Å; L247-H251 WeakPolarHBondContact O-CB 3.17Å; L247-H251 PolarHBondContact O-N 3.34Å
248	N	42.8	Very low	39.2	Very low	49 Å²	49	102.6 Å²	102.6	26%	0.262	49%	0.493	S	S	.	.	H	α-helix	trans	-78	-36.5	173.3	-63.1	-47.2	0	0	0	111.3	T203 D246 L250 H251 D252	T203-N248 WeakPolarHBondContact CG2-OD1 3.09Å; D246-N248 PolarHBondContact O-N 3.41Å; D246-N248 WeakPolarHBondContact OD1-CA 3.35Å; D246-N248 WeakPolarHBondContact OD1-CB 3.46Å; D246-N248 PolarHBondContact OD1-N 2.9Å; N248-L250 VanDerWaalsContact C-N 3.34Å; N248-H251 VanDerWaalsContact O-CB 3.3Å; N248-H251 WeakPolarHBondContact O-CB 3.45Å; N248-H251 PolarHBondContact O-N 3.14Å; N248-D252 PolarHBondContact O-N 2.63Å
249	R	41.9	Very low	39.2	Very low	164 Å²	164	98.1 Å²	98.1	62%	0.619	47%	0.474	S	S	*	.	H	α-helix	trans	-64.3	-39.7	169	-178.7	178.4	170.3	156.9	-1.2	112	D246 H251 D252 D253	D246-R249 HydrophobicContact CB-CB 3.77Å; D246-R249 WeakPolarHBondContact O-CB 3.38Å; D246-R249 PolarHBondContact O-N 3.39Å; D246-R249 VanDerWaalsContact O-N 3.08Å; D246-R249 PolarHBondContact OD1-N 2.8Å; R249-H251 VanDerWaalsContact C-N 3.32Å; R249-D252 PolarHBondContact O-N 2.76Å; R249-D253 WeakPolarHBondContact O-CB 3.3Å; R249-D253 VanDerWaalsContact O-CG 3.29Å; R249-D253 PolarHBondContact O-N 3.09Å
250	L	42.8	Very low	39.2	Very low	85 Å²	85	101.8 Å²	101.8	45%	0.445	49%	0.493	S	S	.	.	H	α-helix	trans	-63.3	-39.8	174.1	-167.5	70.1	0	0	0	111.1	D246 L247 N248 D253 V254	D246-L250 PolarHBondContact O-N 2.93Å; L247-L250 HydrophobicContact CD2-CD2 4.31Å; N248-L250 VanDerWaalsContact C-N 3.34Å; L250-D253 PolarHBondContact O-N 3.46Å; L250-V254 VanDerWaalsContact O-CG2 3.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.3Å; L250-V254 PolarHBondContact O-N 3.43Å
251	H	40.5	Very low	39.3	Very low	11 Å²	11	102 Å²	102	5%	0.051	49%	0.492	C	S	.	.	H	α-helix	trans	-59.5	-45.8	170.6	-177.9	48.9	0	0	0	113.3	D202 L247 N248 R249 D253 V254 K255 P281	D202-H251 PolarHBondContact O-CD2 2.82Å; D202-H251 PolarHBondContact O-NE2 3.07Å; L247-H251 WeakPolarHBondContact O-CB 3.17Å; L247-H251 PolarHBondContact O-N 3.34Å; N248-H251 VanDerWaalsContact O-CB 3.3Å; N248-H251 WeakPolarHBondContact O-CB 3.45Å; N248-H251 PolarHBondContact O-N 3.14Å; R249-H251 VanDerWaalsContact C-N 3.32Å; H251-D253 VanDerWaalsContact C-N 3.33Å; H251-V254 CarbonylContact O-C 3.57Å; H251-V254 PolarHBondContact O-N 2.59Å; H251-K255 PolarHBondContact CD2-NZ 3.43Å; H251-K255 VanDerWaalsContact CE1-CE 3.49Å; H251-K255 WeakPolarHBondContact CE1-CE 3.29Å; H251-K255 WeakPolarHBondContact NE2-CE 3.45Å; H251-K255 PolarHBondContact NE2-NZ 3.06Å; H251-K255 WeakPolarHBondContact O-CG 3.35Å; H251-K255 PolarHBondContact O-N 3Å; H251-P281 HydrophobicContact CB-CB 3.89Å; H251-P281 HydrophobicContact CB-CG 3.42Å; H251-P281 VanDerWaalsContact CB-CG 3.42Å; H251-P281 WeakPolarHBondContact ND1-CB 3.13Å
252	D	43.5	Very low	39.2	Very low	75 Å²	75	100.2 Å²	100.2	40%	0.401	49%	0.486	S	S	.	.	H	α-helix	trans	-71	-30.7	179.7	-70.9	-23.4	0	0	0	112.5	N248 R249 K255 R256	N248-D252 PolarHBondContact O-N 2.63Å; R249-D252 PolarHBondContact O-N 2.76Å; D252-K255 IonicContact OD1-NZ 3.98Å; D252-K255 PolarHBondContact OD1-NZ 3.1Å; D252-R256 WeakPolarHBondContact O-CG 2.85Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 VanDerWaalsContact O-N 3.13Å
253	D	39.3	Very low	39.3	Very low	51 Å²	51	95.2 Å²	95.2	27%	0.273	47%	0.465	S	S	.	.	H	α-helix	trans	-67	-42.2	169.5	-71.6	-13.6	0	0	0	110.7	R249 L250 H251 R256 Y257	R249-D253 WeakPolarHBondContact O-CB 3.3Å; R249-D253 VanDerWaalsContact O-CG 3.29Å; R249-D253 PolarHBondContact O-N 3.09Å; L250-D253 PolarHBondContact O-N 3.46Å; H251-D253 VanDerWaalsContact C-N 3.33Å; D253-R256 PolarHBondContact O-N 3.41Å; D253-R256 IonicContact OD1-CZ 3.64Å; D253-R256 IonicContact OD1-NE 3.27Å; D253-R256 IonicContact OD1-NH2 3.66Å; D253-R256 PolarHBondContact OD1-NH2 3.18Å; D253-Y257 WeakPolarHBondContact O-CD2 3.41Å; D253-Y257 PolarHBondContact O-N 3.37Å
254	V	37.8	Very low	39.4	Very low	36 Å²	36	92.9 Å²	92.9	22%	0.218	45%	0.448	C	S	.	.	H	α-helix	trans	-63.7	-40.1	173.3	170.6	0	0	0	0	112.2	L250 H251 R256 Y257 C283	L250-V254 VanDerWaalsContact O-CG2 3.25Å; L250-V254 WeakPolarHBondContact O-CG2 3.3Å; L250-V254 PolarHBondContact O-N 3.43Å; H251-V254 CarbonylContact O-C 3.57Å; H251-V254 PolarHBondContact O-N 2.59Å; V254-R256 VanDerWaalsContact C-N 3.32Å; V254-R256 PolarHBondContact O-N 2.85Å; V254-Y257 CarbonylContact O-C 3.55Å; V254-Y257 PolarHBondContact O-N 3.34Å; V254-C283 HydrophobicContact CG1-CB 4.09Å
255	K	36.3	Very low	39.5	Very low	120 Å²	120	89.1 Å²	89.1	52%	0.522	44%	0.439	S	S	.	.	H	α-helix	trans	-61.9	-36.6	174.8	-78.5	174.9	-177.2	161.8	0	113	H251 D252 Y257	H251-K255 PolarHBondContact CD2-NZ 3.43Å; H251-K255 VanDerWaalsContact CE1-CE 3.49Å; H251-K255 WeakPolarHBondContact CE1-CE 3.29Å; H251-K255 WeakPolarHBondContact NE2-CE 3.45Å; H251-K255 PolarHBondContact NE2-NZ 3.06Å; H251-K255 WeakPolarHBondContact O-CG 3.35Å; H251-K255 PolarHBondContact O-N 3Å; D252-K255 IonicContact OD1-NZ 3.98Å; D252-K255 PolarHBondContact OD1-NZ 3.1Å; K255-Y257 PolarHBondContact O-N 2.92Å
256	R	36.2	Very low	39.2	Very low	180 Å²	180	90.7 Å²	90.7	68%	0.679	45%	0.448	S	S	*	.	H	α-helix	trans	-66.2	-27.6	177.5	-80.6	-174.1	-91.3	-166.3	-4.5	112.5	D252 D253 V254 S258	D252-R256 WeakPolarHBondContact O-CG 2.85Å; D252-R256 PolarHBondContact O-N 2.88Å; D252-R256 VanDerWaalsContact O-N 3.13Å; D253-R256 PolarHBondContact O-N 3.41Å; D253-R256 IonicContact OD1-CZ 3.64Å; D253-R256 IonicContact OD1-NE 3.27Å; D253-R256 IonicContact OD1-NH2 3.66Å; D253-R256 PolarHBondContact OD1-NH2 3.18Å; V254-R256 VanDerWaalsContact C-N 3.32Å; V254-R256 PolarHBondContact O-N 2.85Å; R256-S258 PolarHBondContact O-N 2.94Å
257	Y	34	Very low	39.2	Very low	164 Å²	164	91.7 Å²	91.7	64%	0.643	45%	0.454	S	S	*	.	S	Bend	trans	-99.2	70.6	173.4	-61.5	-72	0	0	0	110.5	D253 V254 K255 C259	D253-Y257 WeakPolarHBondContact O-CD2 3.41Å; D253-Y257 PolarHBondContact O-N 3.37Å; V254-Y257 CarbonylContact O-C 3.55Å; V254-Y257 PolarHBondContact O-N 3.34Å; K255-Y257 PolarHBondContact O-N 2.92Å; Y257-C259 PolarHBondContact O-N 2.96Å
258	S	30.4	Very low	39.4	Very low	80 Å²	80	91.7 Å²	91.7	56%	0.559	45%	0.454	S	S	*	.			trans	-20.5	101.3	172.1	159.3	0	0	0	0	114.7	R256 T260	R256-S258 PolarHBondContact O-N 2.94Å; S258-T260 PolarHBondContact O-N 3.21Å; S258-T260 WeakPolarHBondContact OG-CG2 3.46Å; S258-T260 PolarHBondContact OG-OG1 2.87Å
259	C	40.3	Very low	39.4	Very low	60 Å²	60	96.5 Å²	96.5	41%	0.405	47%	0.468	S	S	.	.			trans	-72.3	75.6	162.9	-60.7	0	0	0	0	109.7	Y257 P261 C283	Y257-C259 PolarHBondContact O-N 2.96Å; C259-P261 WeakPolarHBondContact O-CD 3.42Å; C259-C283 HydrophobicContact CB-CB 4.39Å; C259-C283 WeakPolarHBondContact CB-SG 3.25Å; C259-C283 WeakPolarHBondContact SG-CB 3.29Å; C259-C283 CovalentContact SG-SG 2.02Å; C259-C283 PolarHBondContact SG-SG 3.4Å
260	T	37.2	Very low	39.8	Very low	108 Å²	108	94.5 Å²	94.5	66%	0.663	47%	0.466	S	S	*	.			trans	-81.3	117.6	167.6	32.9	0	0	0	0	109.1	S258 R262	S258-T260 PolarHBondContact O-N 3.21Å; S258-T260 WeakPolarHBondContact OG-CG2 3.46Å; S258-T260 PolarHBondContact OG-OG1 2.87Å; T260-R262 PolarHBondContact O-N 2.81Å
261	P	38.9	Very low	39.9	Very low	99 Å²	99	94.2 Å²	94.2	64%	0.643	46%	0.462	S	S	*	.			trans	-81.8	109.3	-176.3	31.1	-29.3	0	0	0	108.8	C259	C259-P261 WeakPolarHBondContact O-CD 3.42Å
262	R	38.3	Very low	40.2	Very low	223 Å²	223	94.6 Å²	94.6	84%	0.842	47%	0.465	S	S	*	.	S	Bend	trans	-139.9	10.2	168.6	-78.9	-160	-179.4	176.8	1.2	117.1	T260	T260-R262 PolarHBondContact O-N 2.81Å
263	N	39.1	Very low	40.5	Very low	74 Å²	74	97.2 Å²	97.2	40%	0.396	47%	0.473	S	S	.	.	S	Bend	trans	165.9	-16.7	154.6	-87.4	-22.9	0	0	0	114.7	W300	N263-W300 WeakPolarHBondContact ND2-CH2 3.46Å; N263-W300 WeakPolarHBondContact ND2-CZ2 3.12Å; N263-W300 WeakPolarHBondContact ND2-CZ3 3.21Å
264	Y	40.3	Very low	40.7	Very low	71 Å²	71	100.5 Å²	100.5	28%	0.278	50%	0.495	S	S	.	.	H	α-helix	trans	-77.9	-22.7	-175.3	-61.1	-73	0	0	0	114.8	R288 G291 N292 C293	Y264-R288 HydrophobicContact CD1-CB 4Å; Y264-R288 HydrophobicContact CE1-CB 4.25Å; Y264-R288 WeakPolarHBondContact CE1-O 3.31Å; Y264-G291 WeakPolarHBondContact OH-CA 3.04Å; Y264-G291 PolarHBondContact OH-N 3.33Å; Y264-G291 PolarHBondContact OH-O 3.48Å; Y264-N292 PolarHBondContact OH-N 2.83Å; Y264-C293 PolarHBondContact OH-N 2.86Å; Y264-C293 PolarHBondContact OH-SG 2.9Å
265	S	40	Very low	40.9	Very low	63 Å²	63	100.7 Å²	100.7	44%	0.441	50%	0.496	S	S	.	.	H	α-helix	trans	-76.4	-24.2	-176.1	50.3	0	0	0	0	113.7	R269	S265-R269 WeakPolarHBondContact O-CB 3.17Å; S265-R269 PolarHBondContact O-N 2.78Å
266	V	36.4	Very low	41.3	Very low	83 Å²	83	99.7 Å²	99.7	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-73.6	-50.3	-174.9	-177.3	0	0	0	0	111.2	L268 R269 E270	V266-L268 VanDerWaalsContact C-N 3.27Å; V266-L268 PolarHBondContact O-N 2.85Å; V266-R269 WeakPolarHBondContact O-CB 3.44Å; V266-R269 PolarHBondContact O-N 3.32Å; V266-R269 VanDerWaalsContact O-N 3.11Å; V266-E270 PolarHBondContact O-N 2.96Å
267	N	44.3	Very low	41.7	Very low	108 Å²	108	91.8 Å²	91.8	58%	0.578	47%	0.47	S	S	*	.	H	α-helix	trans	-62.2	-36	176.4	-70.3	-11.1	0	0	0	112.2	R269 E270 E271	N267-R269 VanDerWaalsContact C-N 3.34Å; N267-E270 PolarHBondContact O-N 2.76Å; N267-E271 PolarHBondContact O-N 3.26Å; N267-E271 VanDerWaalsContact O-N 3.14Å
268	L	46.9	Very low	42.2	Very low	22 Å²	22	84.4 Å²	84.4	12%	0.115	44%	0.441	C	S	.	.	H	α-helix	trans	-66.1	-39.1	176.5	-167.5	68.1	0	0	0	111.2	V266 E270 E271 L272 L284 V286 L345	V266-L268 VanDerWaalsContact C-N 3.27Å; V266-L268 PolarHBondContact O-N 2.85Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-E270 PolarHBondContact O-N 3.01Å; L268-E271 PolarHBondContact O-N 2.74Å; L268-L272 HydrophobicContact CD1-CD1 4.42Å; L268-L272 HydrophobicContact CD2-CD1 4.26Å; L268-L272 HydrophobicContact CG-CD1 3.75Å; L268-L272 HydrophobicContact CG-CG 4.35Å; L268-L272 VanDerWaalsContact O-CB 3.26Å; L268-L272 WeakPolarHBondContact O-CB 3.39Å; L268-L272 WeakPolarHBondContact O-CD1 3.06Å; L268-L272 WeakPolarHBondContact O-CG 2.93Å; L268-L272 PolarHBondContact O-N 2.88Å; L268-L284 HydrophobicContact CD2-CB 4.43Å; L268-L284 VanDerWaalsContact CD2-O 3.3Å; L268-L284 WeakPolarHBondContact CD2-O 3.32Å; L268-V286 HydrophobicContact CD1-CB 3.78Å; L268-V286 HydrophobicContact CD1-CG1 4.23Å; L268-V286 HydrophobicContact CD1-CG2 3.42Å; L268-V286 VanDerWaalsContact CD1-CG2 3.42Å; L268-V286 HydrophobicContact CD2-CB 4.32Å; L268-V286 HydrophobicContact CD2-CG2 3.95Å; L268-V286 HydrophobicContact CG-CG2 4.35Å; L268-L345 HydrophobicContact CD1-CD1 4.06Å
269	R	44.1	Very low	43.2	Very low	149 Å²	149	82.4 Å²	82.4	56%	0.562	42%	0.423	S	S	*	.	H	α-helix	trans	-64.8	-35.3	177.2	-157.7	175.1	-149.4	-171.7	6.4	112.2	D195 S265 V266 N267 L272 K273	D195-R269 IonicContact OD2-CZ 2.85Å; D195-R269 IonicContact OD2-NH2 3.98Å; D195-R269 PolarHBondContact OD2-NH2 3.12Å; S265-R269 WeakPolarHBondContact O-CB 3.17Å; S265-R269 PolarHBondContact O-N 2.78Å; V266-R269 WeakPolarHBondContact O-CB 3.44Å; V266-R269 PolarHBondContact O-N 3.32Å; V266-R269 VanDerWaalsContact O-N 3.11Å; N267-R269 VanDerWaalsContact C-N 3.34Å; R269-L272 PolarHBondContact O-N 3.35Å; R269-K273 WeakPolarHBondContact O-CG 3.1Å; R269-K273 PolarHBondContact O-N 3.22Å
270	E	48.2	Very low	43.4	Very low	122 Å²	122	80.7 Å²	80.7	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-70.6	-43.7	176	-71.1	-176.8	170	0	0	113	V266 N267 L268 L272 K273	V266-E270 PolarHBondContact O-N 2.96Å; N267-E270 PolarHBondContact O-N 2.76Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-E270 PolarHBondContact O-N 3.01Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 2.83Å; E270-K273 PolarHBondContact O-N 3.29Å
271	E	45.6	Very low	43.6	Very low	79 Å²	79	75.9 Å²	75.9	37%	0.369	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-39.7	170.7	-77.8	-177.4	173.6	0	0	111.2	N267 L268 T274 R288	N267-E271 PolarHBondContact O-N 3.26Å; N267-E271 VanDerWaalsContact O-N 3.14Å; L268-E271 PolarHBondContact O-N 2.74Å; E271-T274 PolarHBondContact O-N 3.22Å; E271-T274 PolarHBondContact O-OG1 3.16Å; E271-R288 IonicContact OE1-CZ 3.59Å; E271-R288 IonicContact OE1-NH1 3.72Å; E271-R288 IonicContact OE1-NH2 2.82Å; E271-R288 PolarHBondContact OE1-NH2 3.01Å; E271-R288 IonicContact OE2-CZ 3.82Å; E271-R288 IonicContact OE2-NH2 2.63Å; E271-R288 PolarHBondContact OE2-NH2 3.48Å
272	L	47.3	Very low	44.1	Very low	20 Å²	20	77.1 Å²	77.1	11%	0.105	37%	0.371	C	S	.	.	H	α-helix	trans	-76.2	-23.3	-178.6	-68.7	171.8	0	0	0	114.2	L268 R269 E270 T274 T275 N276 F279 I343 L345	L268-L272 HydrophobicContact CD1-CD1 4.42Å; L268-L272 HydrophobicContact CD2-CD1 4.26Å; L268-L272 HydrophobicContact CG-CD1 3.75Å; L268-L272 HydrophobicContact CG-CG 4.35Å; L268-L272 VanDerWaalsContact O-CB 3.26Å; L268-L272 WeakPolarHBondContact O-CB 3.39Å; L268-L272 WeakPolarHBondContact O-CD1 3.06Å; L268-L272 WeakPolarHBondContact O-CG 2.93Å; L268-L272 PolarHBondContact O-N 2.88Å; R269-L272 PolarHBondContact O-N 3.35Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 2.83Å; L272-T274 PolarHBondContact O-N 3.24Å; L272-T275 PolarHBondContact O-N 3.34Å; L272-T275 PolarHBondContact O-OG1 2.82Å; L272-N276 PolarHBondContact O-N 3.41Å; L272-F279 HydrophobicContact CB-CE2 4.46Å; L272-F279 HydrophobicContact CD1-CD2 4.4Å; L272-F279 HydrophobicContact CD1-CE2 3.54Å; L272-F279 HydrophobicContact CD1-CZ 3.72Å; L272-F279 HydrophobicContact CD2-CE2 3.86Å; L272-F279 HydrophobicContact CD2-CZ 3.55Å; L272-F279 HydrophobicContact CG-CE2 4.15Å; L272-F279 HydrophobicContact CG-CZ 4.22Å; L272-I343 HydrophobicContact CD2-CD1 3.67Å; L272-L345 HydrophobicContact CD2-CD1 4.38Å; L272-L345 HydrophobicContact CD2-CD2 4.29Å
273	K	49	Very low	44.6	Very low	129 Å²	129	68.5 Å²	68.5	56%	0.561	35%	0.345	S	S	*	.	H	α-helix	trans	-57.7	-29.1	169.2	-83	177.4	-179.9	-171.4	0	111.8	R269 E270 T275	R269-K273 WeakPolarHBondContact O-CG 3.1Å; R269-K273 PolarHBondContact O-N 3.22Å; E270-K273 PolarHBondContact O-N 3.29Å; K273-T275 PolarHBondContact O-N 3.06Å
274	T	43.6	Very low	45.1	Very low	120 Å²	120	66.2 Å²	66.2	74%	0.736	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-16	176.8	69.7	0	0	0	0	113.4	E271 L272	E271-T274 PolarHBondContact O-N 3.22Å; E271-T274 PolarHBondContact O-OG1 3.16Å; L272-T274 PolarHBondContact O-N 3.24Å
275	T	42.8	Very low	45.5	Very low	41 Å²	41	68.2 Å²	68.2	25%	0.252	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-6.8	-173.1	66	0	0	0	0	114.5	L272 K273 A277 K320	L272-T275 PolarHBondContact O-N 3.34Å; L272-T275 PolarHBondContact O-OG1 2.82Å; K273-T275 PolarHBondContact O-N 3.06Å; T275-A277 PolarHBondContact O-N 2.68Å; T275-K320 WeakPolarHBondContact O-CE 3.35Å; T275-K320 PolarHBondContact O-NZ 3.24Å
276	N	43.8	Very low	46.2	Very low	98 Å²	98	66.1 Å²	66.1	52%	0.524	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	26.4	-176.1	-69.7	-16.4	0	0	0	114.4	L272	L272-N276 PolarHBondContact O-N 3.41Å
277	A	44.4	Very low	47.1	Very low	14 Å²	14	68.4 Å²	68.4	12%	0.116	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-90	136.9	-178.8	0	0	0	0	0	111.9	T275 F279 V318	T275-A277 PolarHBondContact O-N 2.68Å; A277-F279 HydrophobicContact CB-CE2 3.87Å; A277-F279 HydrophobicContact CB-CZ 4.13Å; A277-V318 HydrophobicContact CB-CG2 4.04Å
278	V	46.5	Very low	47.8	Very low	9 Å²	9	65.3 Å²	65.3	6%	0.055	32%	0.315	C	S	.	.			trans	-122.8	113.4	179.5	-176.2	0	0	0	0	109.7	L191 I198 L319 W338	L191-V278 HydrophobicContact CD1-CG2 4.5Å; I198-V278 HydrophobicContact CD1-CB 4.4Å; I198-V278 HydrophobicContact CD1-CG1 3.41Å; I198-V278 VanDerWaalsContact CD1-CG1 3.41Å; V278-L319 CarbonylContact C-O 3.43Å; V278-L319 PolarHBondContact N-O 3.31Å; V278-L319 VanDerWaalsContact N-O 3.1Å; V278-L319 CarbonylContact O-C 3.42Å; V278-W338 HydrophobicContact CB-CH2 4.27Å; V278-W338 HydrophobicContact CB-CZ3 4.11Å; V278-W338 HydrophobicContact CG1-CH2 4.4Å
279	F	51.2	Low	48.3	Very low	38 Å²	38	65.1 Å²	65.1	17%	0.167	32%	0.316	C	S	.	.			trans	-88.1	127.9	-161.7	-67.3	-102.5	0	0	0	112.9	L272 A277 R282 L284 V318 I343	L272-F279 HydrophobicContact CB-CE2 4.46Å; L272-F279 HydrophobicContact CD1-CD2 4.4Å; L272-F279 HydrophobicContact CD1-CE2 3.54Å; L272-F279 HydrophobicContact CD1-CZ 3.72Å; L272-F279 HydrophobicContact CD2-CE2 3.86Å; L272-F279 HydrophobicContact CD2-CZ 3.55Å; L272-F279 HydrophobicContact CG-CE2 4.15Å; L272-F279 HydrophobicContact CG-CZ 4.22Å; A277-F279 HydrophobicContact CB-CE2 3.87Å; A277-F279 HydrophobicContact CB-CZ 4.13Å; F279-R282 PolarHBondContact O-N 2.95Å; F279-L284 HydrophobicContact CD1-CB 4.14Å; F279-L284 HydrophobicContact CD1-CD1 4.02Å; F279-L284 HydrophobicContact CE1-CB 3.89Å; F279-L284 HydrophobicContact CE1-CD1 3.64Å; F279-L284 HydrophobicContact CE1-CD2 4.03Å; F279-L284 HydrophobicContact CE1-CG 4.07Å; F279-L284 HydrophobicContact CZ-CD2 4.5Å; F279-V318 HydrophobicContact CD1-CB 3.93Å; F279-V318 HydrophobicContact CD1-CG1 3.69Å; F279-V318 HydrophobicContact CE1-CB 3.67Å; F279-V318 HydrophobicContact CE1-CG1 3.08Å; F279-V318 HydrophobicContact CZ-CB 4.23Å; F279-V318 HydrophobicContact CZ-CG1 3.81Å; F279-I343 HydrophobicContact CE1-CD1 3.94Å; F279-I343 HydrophobicContact CZ-CD1 3.59Å
280	F	43	Very low	48.8	Very low	25 Å²	25	59.9 Å²	59.9	11%	0.11	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	132.4	164.3	-169.2	-79.8	0	0	0	110.4	I198 D202 I204 L319	I198-F280 HydrophobicContact CG2-CD2 4.4Å; D202-F280 WeakPolarHBondContact O-CZ 3.18Å; I204-F280 HydrophobicContact CB-CE1 4.46Å; I204-F280 HydrophobicContact CD1-CD1 3.35Å; I204-F280 HydrophobicContact CD1-CE1 3.78Å; I204-F280 HydrophobicContact CD1-CG 4.1Å; I204-F280 HydrophobicContact CG1-CB 4.46Å; I204-F280 HydrophobicContact CG1-CD1 3.31Å; I204-F280 HydrophobicContact CG1-CD2 4.35Å; I204-F280 HydrophobicContact CG1-CE1 3.52Å; I204-F280 HydrophobicContact CG1-CG 3.77Å; I204-F280 HydrophobicContact CG1-CZ 4.14Å; F280-L319 HydrophobicContact CB-CD1 3.89Å
281	P	42.5	Very low	49	Very low	7 Å²	7	54.9 Å²	54.9	5%	0.045	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.7	111.6	-6.7	5.8	15	0	0	0	111.3	H251 C283	H251-P281 HydrophobicContact CB-CB 3.89Å; H251-P281 HydrophobicContact CB-CG 3.42Å; H251-P281 VanDerWaalsContact CB-CG 3.42Å; H251-P281 WeakPolarHBondContact ND1-CB 3.13Å; P281-C283 VanDerWaalsContact C-N 3.34Å; P281-C283 PolarHBondContact O-N 3.37Å
282	R	50	Low	48.9	Very low	124 Å²	124	57.2 Å²	57.2	47%	0.468	30%	0.304	S	S	.	.	S	Bend	trans	59.5	-13.3	152.7	-64.1	-160.8	-176.9	135.2	14.5	122.1	A199 F201 D202 F279	A199-R282 PolarHBondContact O-NH2 3.48Å; F201-R282 PolarHBondContact O-NH2 2.98Å; F201-R282 VanDerWaalsContact O-NH2 3.1Å; D202-R282 IonicContact OD1-CZ 3.52Å; D202-R282 IonicContact OD1-NH1 3.93Å; D202-R282 PolarHBondContact OD1-NH1 3.23Å; D202-R282 IonicContact OD1-NH2 2.96Å; D202-R282 PolarHBondContact OD1-NH2 3.28Å; F279-R282 PolarHBondContact O-N 2.95Å
283	C	48.1	Very low	48.6	Very low	43 Å²	43	61.2 Å²	61.2	29%	0.291	33%	0.332	S	S	.	.			trans	-155.6	137.5	174.9	-66.4	0	0	0	0	114.7	V254 C259 P281	V254-C283 HydrophobicContact CG1-CB 4.09Å; C259-C283 HydrophobicContact CB-CB 4.39Å; C259-C283 WeakPolarHBondContact CB-SG 3.25Å; C259-C283 WeakPolarHBondContact SG-CB 3.29Å; C259-C283 CovalentContact SG-SG 2.02Å; C259-C283 PolarHBondContact SG-SG 3.4Å; P281-C283 VanDerWaalsContact C-N 3.34Å; P281-C283 PolarHBondContact O-N 3.37Å
284	L	48.7	Very low	48.3	Very low	26 Å²	26	56.9 Å²	56.9	14%	0.136	33%	0.325	C	S	.	.			trans	-108.5	118.2	164	-155.9	89.9	0	0	0	109.7	L268 F279 V286 H316 V318 I343 L345	L268-L284 HydrophobicContact CD2-CB 4.43Å; L268-L284 VanDerWaalsContact CD2-O 3.3Å; L268-L284 WeakPolarHBondContact CD2-O 3.32Å; F279-L284 HydrophobicContact CD1-CB 4.14Å; F279-L284 HydrophobicContact CD1-CD1 4.02Å; F279-L284 HydrophobicContact CE1-CB 3.89Å; F279-L284 HydrophobicContact CE1-CD1 3.64Å; F279-L284 HydrophobicContact CE1-CD2 4.03Å; F279-L284 HydrophobicContact CE1-CG 4.07Å; F279-L284 HydrophobicContact CZ-CD2 4.5Å; L284-V286 HydrophobicContact CD2-CG2 3.96Å; L284-V286 PolarHBondContact O-N 2.98Å; L284-H316 HydrophobicContact CD1-CB 3.44Å; L284-H316 VanDerWaalsContact CD1-CB 3.44Å; L284-H316 WeakPolarHBondContact CD1-ND1 3.13Å; L284-H316 HydrophobicContact CD2-CB 3.99Å; L284-H316 HydrophobicContact CG-CB 4.15Å; L284-V318 HydrophobicContact CD1-CG1 4.18Å; L284-I343 HydrophobicContact CD2-CD1 4.18Å; L284-L345 HydrophobicContact CD2-CD1 2.99Å; L284-L345 HydrophobicContact CD2-CG 4.27Å; L284-L345 HydrophobicContact CG-CD1 4.46Å
285	L	50.2	Low	48.2	Very low	112 Å²	112	52.5 Å²	52.5	59%	0.586	30%	0.299	S	S	*	.			trans	-81.1	111.8	179.4	-72.9	169.5	0	0	0	110	H347	L285-H347 PolarHBondContact O-CE1 3.33Å
286	V	54.1	Low	48.1	Very low	19 Å²	19	54.9 Å²	54.9	12%	0.115	33%	0.331	C	S	.	.			trans	-116.9	122.6	173.5	-177.6	0	0	0	0	110.4	L268 L284 R288 L345 S346	L268-V286 HydrophobicContact CD1-CB 3.78Å; L268-V286 HydrophobicContact CD1-CG1 4.23Å; L268-V286 HydrophobicContact CD1-CG2 3.42Å; L268-V286 VanDerWaalsContact CD1-CG2 3.42Å; L268-V286 HydrophobicContact CD2-CB 4.32Å; L268-V286 HydrophobicContact CD2-CG2 3.95Å; L268-V286 HydrophobicContact CG-CG2 4.35Å; L284-V286 HydrophobicContact CD2-CG2 3.96Å; L284-V286 PolarHBondContact O-N 2.98Å; V286-R288 HydrophobicContact CG1-CG 4.26Å; V286-R288 PolarHBondContact O-N 2.91Å; V286-L345 HydrophobicContact CG2-CB 4.23Å; V286-L345 HydrophobicContact CG2-CD1 3.58Å; V286-S346 VanDerWaalsContact CG1-O 3.3Å; V286-S346 WeakPolarHBondContact CG1-O 2.96Å
287	K	55.8	Low	48	Very low	131 Å²	131	54.2 Å²	54.2	57%	0.57	33%	0.331	S	S	*	.			trans	-71.6	125.7	176.8	-69.1	-170.5	176.5	-170.7	0	109.5	H347 H348	K287-H347 HydrophobicContact CB-CB 4.25Å; K287-H347 PolarHBondContact N-ND1 2.93Å; K287-H347 CarbonylContact O-C 3.56Å; K287-H347 WeakPolarHBondContact O-CA 3.37Å; K287-H348 WeakPolarHBondContact CB-O 3.36Å; K287-H348 PolarHBondContact O-N 3.26Å
288	R	59	Low	47.9	Very low	43 Å²	43	61.4 Å²	61.4	16%	0.162	37%	0.367	C	S	.	.			trans	-135.4	149.7	175.6	-61.2	-65.3	-177.3	163.1	5.1	110.4	Y264 E271 V286 S346 H348	Y264-R288 HydrophobicContact CD1-CB 4Å; Y264-R288 HydrophobicContact CE1-CB 4.25Å; Y264-R288 WeakPolarHBondContact CE1-O 3.31Å; E271-R288 IonicContact OE1-CZ 3.59Å; E271-R288 IonicContact OE1-NH1 3.72Å; E271-R288 IonicContact OE1-NH2 2.82Å; E271-R288 PolarHBondContact OE1-NH2 3.01Å; E271-R288 IonicContact OE2-CZ 3.82Å; E271-R288 IonicContact OE2-NH2 2.63Å; E271-R288 PolarHBondContact OE2-NH2 3.48Å; V286-R288 HydrophobicContact CG1-CG 4.26Å; V286-R288 PolarHBondContact O-N 2.91Å; R288-S346 PolarHBondContact NE-O 2.77Å; R288-S346 PolarHBondContact NH1-O 2.71Å; R288-S346 PolarHBondContact NH2-O 3.04Å; R288-H348 VanDerWaalsContact CD-NE2 3.35Å; R288-H348 WeakPolarHBondContact CD-NE2 3.35Å; R288-H348 PolarHBondContact NH1-NE2 2.73Å
289	C	57.6	Low	48	Very low	19 Å²	19	66.6 Å²	66.6	13%	0.128	39%	0.394	C	S	.	.	S	Bend	trans	-79	135	168.8	-54.4	0	0	0	0	108.1	C306 P308 H348 C351	C289-C306 HydrophobicContact CB-CB 4.29Å; C289-P308 VanDerWaalsContact SG-CA 3.5Å; C289-H348 PolarHBondContact N-ND1 3.42Å; C289-H348 WeakPolarHBondContact SG-CB 3.06Å; C289-H348 PolarHBondContact SG-ND1 2.95Å; C289-H348 VanDerWaalsContact SG-ND1 3.36Å; C289-C351 WeakPolarHBondContact CA-SG 3.46Å; C289-C351 HydrophobicContact CB-CB 3.77Å; C289-C351 WeakPolarHBondContact CB-SG 3.43Å; C289-C351 WeakPolarHBondContact SG-CA 3.3Å; C289-C351 WeakPolarHBondContact SG-CB 3.08Å; C289-C351 CovalentContact SG-SG 2.02Å; C289-C351 PolarHBondContact SG-SG 2.79Å
290	G	54.8	Low	47.8	Very low	39 Å²	39	70.1 Å²	70.1	40%	0.402	41%	0.407	S	S	.	.	S	Bend	trans	122.3	30.9	178.7	0	0	0	0	0	116.4
291	G	50.5	Low	48.1	Very low	16 Å²	16	75 Å²	75	17%	0.165	43%	0.434	C	S	.	.	S	Bend	trans	-165.4	-158.1	165.9	0	0	0	0	0	110.1	Y264 C293 G294	Y264-G291 WeakPolarHBondContact OH-CA 3.04Å; Y264-G291 PolarHBondContact OH-N 3.33Å; Y264-G291 PolarHBondContact OH-O 3.48Å; G291-C293 PolarHBondContact O-N 3.48Å; G291-G294 PolarHBondContact O-N 2.76Å
292	N	44.3	Very low	48.5	Very low	128 Å²	128	79.3 Å²	79.3	68%	0.684	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-12.4	-171.2	-82.4	5	0	0	0	117.3	Y264 G294	Y264-N292 PolarHBondContact OH-N 2.83Å; N292-G294 VanDerWaalsContact C-N 3.31Å; N292-G294 PolarHBondContact O-N 3.15Å
293	C	41.9	Very low	48.8	Very low	104 Å²	104	75.7 Å²	75.7	70%	0.703	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.5	178.1	-47.3	0	0	0	0	115.5	Y264 G291	Y264-C293 PolarHBondContact OH-N 2.86Å; Y264-C293 PolarHBondContact OH-SG 2.9Å; G291-C293 PolarHBondContact O-N 3.48Å
294	G	42	Very low	49.3	Very low	39 Å²	39	75.8 Å²	75.8	40%	0.402	46%	0.463	S	S	.	.	S	Bend	trans	-136.4	-18.4	-172.3	0	0	0	0	0	117.9	G291 N292	G291-G294 PolarHBondContact O-N 2.76Å; N292-G294 VanDerWaalsContact C-N 3.31Å; N292-G294 PolarHBondContact O-N 3.15Å
295	C	40.3	Very low	49.9	Very low	28 Å²	28	79.2 Å²	79.2	19%	0.189	48%	0.484	C	S	.	.			trans	-138.7	105.1	178.3	-51.3	0	0	0	0	106.4	T297 C355	C295-T297 PolarHBondContact O-N 2.92Å; C295-C355 PolarHBondContact SG-SG 3Å
296	G	40.7	Very low	50.5	Low	90 Å²	90	75.3 Å²	75.3	93%	0.928	47%	0.466	S	S	*	.			trans	-69.2	48.4	-175.7	0	0	0	0	0	114.2
297	T	42.1	Very low	51	Low	85 Å²	85	81.5 Å²	81.5	52%	0.521	49%	0.494	S	S	.	.	S	Bend	trans	-133.5	144.6	176.6	65.9	0	0	0	0	111.1	C295 N299	C295-T297 PolarHBondContact O-N 2.92Å; T297-N299 PolarHBondContact O-N 2.82Å
298	N	43	Very low	51.6	Low	164 Å²	164	78.1 Å²	78.1	88%	0.877	49%	0.485	S	S	*	.	S	Bend	trans	-70.4	-1.9	-172.7	-62.8	-25.2	0	0	0	113.9
299	N	47.6	Very low	52.3	Low	118 Å²	118	78.7 Å²	78.7	63%	0.631	50%	0.496	S	S	*	.			trans	-125.1	65.5	-175.5	-71.4	-7.6	0	0	0	111.6	T297 N301 T302	T297-N299 PolarHBondContact O-N 2.82Å; N299-N301 PolarHBondContact O-N 2.94Å; N299-N301 VanDerWaalsContact O-N 3.16Å; N299-T302 PolarHBondContact O-N 3.06Å; N299-T302 PolarHBondContact O-OG1 2.51Å
300	W	48.5	Very low	52.9	Low	113 Å²	113	82.6 Å²	82.6	43%	0.428	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-10.4	179.2	70.1	-78.2	0	0	0	114.5	N263 T302	N263-W300 WeakPolarHBondContact ND2-CH2 3.46Å; N263-W300 WeakPolarHBondContact ND2-CZ2 3.12Å; N263-W300 WeakPolarHBondContact ND2-CZ3 3.21Å; W300-T302 VanDerWaalsContact C-N 3.25Å; W300-T302 PolarHBondContact O-N 3.16Å
301	N	47.9	Very low	53.6	Low	126 Å²	126	84.3 Å²	84.3	67%	0.674	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-5.2	178.1	-81.3	-5.5	0	0	0	114.5	N299	N299-N301 PolarHBondContact O-N 2.94Å; N299-N301 VanDerWaalsContact O-N 3.16Å
302	T	51.9	Low	54.1	Low	98 Å²	98	85.3 Å²	85.3	60%	0.601	52%	0.516	S	S	*	.	S	Bend	trans	-103.1	78.2	179.6	37.2	0	0	0	0	112.1	N299 W300 C304	N299-T302 PolarHBondContact O-N 3.06Å; N299-T302 PolarHBondContact O-OG1 2.51Å; W300-T302 VanDerWaalsContact C-N 3.25Å; W300-T302 PolarHBondContact O-N 3.16Å; T302-C304 PolarHBondContact O-N 3.21Å
303	G	56	Low	54.8	Low	49 Å²	49	83.9 Å²	83.9	51%	0.505	51%	0.513	S	S	.	.	S	Bend	trans	79.4	5.3	149	0	0	0	0	0	119.4	P356	G303-P356 WeakPolarHBondContact O-CD 3.5Å; G303-P356 WeakPolarHBondContact O-CG 3.24Å
304	C	57.9	Low	55.3	Low	45 Å²	45	82.3 Å²	82.3	30%	0.304	49%	0.494	S	S	.	.			trans	-80.6	127.4	174.3	-67.9	0	0	0	0	111.7	T302 A354 C355	T302-C304 PolarHBondContact O-N 3.21Å; C304-A354 WeakPolarHBondContact CA-O 3.05Å; C304-C355 HydrophobicContact CB-CB 4.22Å; C304-C355 WeakPolarHBondContact CB-SG 3.37Å; C304-C355 WeakPolarHBondContact SG-CB 3.04Å; C304-C355 CovalentContact SG-SG 2.04Å; C304-C355 PolarHBondContact SG-SG 2.86Å
305	T	62	Low	55.9	Low	97 Å²	97	83.9 Å²	83.9	60%	0.595	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.4	171.8	52.6	0	0	0	0	109.6	C353 A354	T305-C353 CarbonylContact O-C 3.56Å; T305-C353 VanDerWaalsContact O-CA 3.29Å; T305-C353 WeakPolarHBondContact O-CA 3.03Å; T305-A354 PolarHBondContact N-O 2.93Å; T305-A354 PolarHBondContact O-N 2.73Å
306	C	62.3	Low	56.7	Low	31 Å²	31	84.2 Å²	84.2	21%	0.209	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.1	-179.6	-70.2	0	0	0	0	110.9	C289 E352 C353	C289-C306 HydrophobicContact CB-CB 4.29Å; C306-E352 CarbonylContact C-O 3.54Å; C306-E352 WeakPolarHBondContact CA-O 3.02Å; C306-C353 HydrophobicContact CB-CB 4.12Å; C306-C353 WeakPolarHBondContact CB-SG 3.29Å; C306-C353 WeakPolarHBondContact SG-CB 3.36Å; C306-C353 CovalentContact SG-SG 2.03Å; C306-C353 PolarHBondContact SG-SG 3.31Å
307	Q	64.9	Low	57.3	Low	148 Å²	148	83.1 Å²	83.1	69%	0.692	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.7	175.1	-69.1	-173.7	-18.1	0	0	110.9	S309 C351 E352	Q307-S309 PolarHBondContact O-N 2.74Å; Q307-C351 CarbonylContact O-C 3.59Å; Q307-C351 WeakPolarHBondContact O-CA 3.45Å; Q307-E352 PolarHBondContact N-O 3.28Å; Q307-E352 PolarHBondContact O-N 3.49Å
308	P	68.1	Low	58	Low	60 Å²	60	79.3 Å²	79.3	39%	0.39	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	123.6	172.7	26.3	-30.6	0	0	0	111.1	C289 T311 H348 M350	C289-P308 VanDerWaalsContact SG-CA 3.5Å; P308-T311 HydrophobicContact CB-CG2 3.82Å; P308-T311 HydrophobicContact CG-CG2 4.37Å; P308-H348 HydrophobicContact CB-CB 4.06Å; P308-M350 WeakPolarHBondContact CA-O 3.48Å
309	S	73.6	Confident	58.5	Low	56 Å²	56	72.3 Å²	72.3	39%	0.392	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-23.8	169	59	0	0	0	0	112.2	Q307 M350 E352	Q307-S309 PolarHBondContact O-N 2.74Å; S309-M350 PolarHBondContact N-O 2.97Å; S309-M350 VanDerWaalsContact OG-CB 3.29Å; S309-M350 WeakPolarHBondContact OG-CB 3.37Å; S309-M350 PolarHBondContact OG-O 3.36Å; S309-E352 VanDerWaalsContact CB-OE1 3.24Å; S309-E352 WeakPolarHBondContact CB-OE1 2.99Å
310	K	71.4	Confident	58.8	Low	101 Å²	101	69.7 Å²	69.7	44%	0.439	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.9	173.2	-168.2	-176	-179.5	-149.9	0	111.1	H348 E349 M350	K310-H348 CarbonylContact O-C 3.56Å; K310-E349 HydrophobicContact CB-CB 4.43Å; K310-E349 HydrophobicContact CD-CB 4.33Å; K310-E349 WeakPolarHBondContact CE-OE2 3.29Å; K310-E349 HydrophobicContact CG-CB 4.4Å; K310-E349 IonicContact NZ-OE2 2.77Å; K310-E349 PolarHBondContact NZ-OE2 2.83Å; K310-E349 PolarHBondContact O-N 2.84Å; K310-M350 HydrophobicContact CB-CB 3.88Å; K310-M350 HydrophobicContact CB-CG 4.14Å; K310-M350 HydrophobicContact CB-SD 4.47Å; K310-M350 HydrophobicContact CD-SD 4.31Å; K310-M350 PolarHBondContact N-O 2.94Å; K310-M350 PolarHBondContact O-N 3.38Å
311	T	69.4	Low	59	Low	75 Å²	75	66.8 Å²	66.8	46%	0.46	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.3	174	55.6	0	0	0	0	111.5	P308 H347	P308-T311 HydrophobicContact CB-CG2 3.82Å; P308-T311 HydrophobicContact CG-CG2 4.37Å; T311-H347 CarbonylContact C-O 3.43Å; T311-H347 WeakPolarHBondContact CA-O 3.37Å
312	T	60.5	Low	59.1	Low	36 Å²	36	62.6 Å²	62.6	22%	0.221	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.7	169.2	56.7	0	0	0	0	111.4	H347 E349	T312-H347 PolarHBondContact N-O 2.84Å; T312-H347 WeakPolarHBondContact O-CB 3.49Å; T312-H347 PolarHBondContact O-N 2.96Å; T312-E349 WeakPolarHBondContact CB-OE1 3.2Å; T312-E349 HydrophobicContact CG2-CG 3.67Å; T312-E349 WeakPolarHBondContact CG2-OE1 3.41Å; T312-E349 VanDerWaalsContact CG2-OE2 3.31Å; T312-E349 WeakPolarHBondContact CG2-OE2 3.49Å; T312-E349 WeakPolarHBondContact OG1-CG 3.09Å; T312-E349 PolarHBondContact OG1-OE1 2.84Å
313	T	58.8	Low	58.8	Low	99 Å²	99	61.6 Å²	61.6	61%	0.607	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.9	174.8	-48.8	0	0	0	0	109.1	F344	T313-F344 HydrophobicContact CG2-CB 3.65Å; T313-F344 HydrophobicContact CG2-CD1 3.93Å; T313-F344 HydrophobicContact CG2-CG 4.21Å
314	K	53.5	Low	58.1	Low	71 Å²	71	62.8 Å²	62.8	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.4	176.1	-61.8	-165.1	-172.7	171.1	0	110.9	H316 F344 L345 H347	K314-H316 PolarHBondContact O-CD2 3.17Å; K314-F344 WeakPolarHBondContact O-CA 3Å; K314-L345 PolarHBondContact N-O 3.41Å; K314-L345 PolarHBondContact O-N 2.92Å; K314-H347 HydrophobicContact CD-CB 4.25Å; K314-H347 HydrophobicContact CG-CB 4.28Å
315	L	54.4	Low	57.2	Low	72 Å²	72	67 Å²	67	38%	0.377	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.8	177.2	-176	153.4	0	0	0	109.7	E342 I343 F344	L315-E342 WeakPolarHBondContact CD1-OE2 3.38Å; L315-E342 HydrophobicContact CD2-CB 4.45Å; L315-E342 HydrophobicContact CD2-CG 4.13Å; L315-E342 HydrophobicContact CG-CB 4.35Å; L315-I343 WeakPolarHBondContact CA-O 3.01Å; L315-F344 HydrophobicContact CB-CD1 4.26Å; L315-F344 HydrophobicContact CB-CE1 4.03Å; L315-F344 HydrophobicContact CD1-CE1 3.87Å; L315-F344 HydrophobicContact CD1-CZ 3.9Å; L315-F344 HydrophobicContact CG-CE1 4.28Å
316	H	55.5	Low	56	Low	34 Å²	34	66.5 Å²	66.5	16%	0.157	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.3	175.6	-64.2	-94.8	0	0	0	110.5	L284 K314 V318 E342 I343 H347	L284-H316 HydrophobicContact CD1-CB 3.44Å; L284-H316 VanDerWaalsContact CD1-CB 3.44Å; L284-H316 WeakPolarHBondContact CD1-ND1 3.13Å; L284-H316 HydrophobicContact CD2-CB 3.99Å; L284-H316 HydrophobicContact CG-CB 4.15Å; K314-H316 PolarHBondContact O-CD2 3.17Å; H316-V318 HydrophobicContact CB-CG1 4.4Å; H316-E342 WeakPolarHBondContact O-CA 3.44Å; H316-I343 HydrophobicContact CB-CG1 4.09Å; H316-I343 PolarHBondContact N-O 3.43Å; H316-I343 PolarHBondContact O-N 2.78Å; H316-H347 AromaticContact CE1-CE1 4Å; H316-H347 AromaticContact CE1-NE2 3.64Å; H316-H347 AromaticContact NE2-CE1 3.8Å; H316-H347 AromaticContact NE2-NE2 3.06Å; H316-H347 PolarHBondContact NE2-NE2 3.02Å
317	E	54.9	Low	54.8	Low	67 Å²	67	69.1 Å²	69.1	31%	0.313	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	128.8	174.8	-66	175	-149.7	0	0	109.4	S233 S235 E342	S233-E317 WeakPolarHBondContact CB-OE1 3.38Å; S233-E317 PolarHBondContact OG-OE1 3.46Å; S233-E317 PolarHBondContact OG-OE2 3.24Å; S235-E317 WeakPolarHBondContact CB-OE1 3.16Å; S235-E317 PolarHBondContact OG-OE1 2.8Å; E317-E342 HydrophobicContact CG-CG 4.28Å
318	V	55.6	Low	53.6	Low	5 Å²	5	67.4 Å²	67.4	3%	0.03	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.6	-171.3	-47.7	0	0	0	0	110.7	A277 F279 L284 H316 I340 D341 I343	A277-V318 HydrophobicContact CB-CG2 4.04Å; F279-V318 HydrophobicContact CD1-CB 3.93Å; F279-V318 HydrophobicContact CD1-CG1 3.69Å; F279-V318 HydrophobicContact CE1-CB 3.67Å; F279-V318 HydrophobicContact CE1-CG1 3.08Å; F279-V318 HydrophobicContact CZ-CB 4.23Å; F279-V318 HydrophobicContact CZ-CG1 3.81Å; L284-V318 HydrophobicContact CD1-CG1 4.18Å; H316-V318 HydrophobicContact CB-CG1 4.4Å; V318-I340 CarbonylContact O-C 3.39Å; V318-I340 WeakPolarHBondContact O-CA 3.31Å; V318-D341 HydrophobicContact CG2-CB 4.22Å; V318-D341 PolarHBondContact N-O 2.91Å; V318-D341 PolarHBondContact O-N 3.41Å; V318-I343 HydrophobicContact CG1-CD1 3.67Å; V318-I343 HydrophobicContact CG1-CG1 3.66Å; V318-I343 HydrophobicContact CG2-CG1 4.45Å; V318-I343 HydrophobicContact CG2-CG2 3.88Å
319	L	53.4	Low	51.9	Low	17 Å²	17	71.7 Å²	71.7	9%	0.089	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	134.5	165.8	-96.1	137.7	0	0	0	109	I204 V278 F280 W338	I204-L319 HydrophobicContact CD1-CD1 3.63Å; I204-L319 HydrophobicContact CG1-CD1 4.34Å; V278-L319 CarbonylContact C-O 3.43Å; V278-L319 PolarHBondContact N-O 3.31Å; V278-L319 VanDerWaalsContact N-O 3.1Å; V278-L319 CarbonylContact O-C 3.42Å; F280-L319 HydrophobicContact CB-CD1 3.89Å; L319-W338 HydrophobicContact CB-CE3 4.36Å; L319-W338 HydrophobicContact CD2-CB 3.74Å; L319-W338 HydrophobicContact CD2-CD2 4.39Å; L319-W338 HydrophobicContact CD2-CE3 3.91Å; L319-W338 HydrophobicContact CD2-CG 4.37Å
320	K	54.6	Low	50.4	Low	64 Å²	64	76 Å²	76	28%	0.278	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.4	179	-170	173	-176.2	175.1	0	109.7	T275 A322 V339 D341	T275-K320 WeakPolarHBondContact O-CE 3.35Å; T275-K320 PolarHBondContact O-NZ 3.24Å; K320-A322 PolarHBondContact O-N 2.75Å; K320-V339 PolarHBondContact N-O 3.26Å; K320-V339 PolarHBondContact O-N 2.9Å; K320-D341 HydrophobicContact CB-CB 4.06Å; K320-D341 HydrophobicContact CD-CB 4.23Å; K320-D341 WeakPolarHBondContact CD-OD2 3.35Å; K320-D341 IonicContact NZ-OD2 2.9Å; K320-D341 PolarHBondContact NZ-OD2 2.77Å
321	Y	52.7	Low	48.7	Very low	51 Å²	51	80.1 Å²	80.1	20%	0.2	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118.1	170.5	178	-98.5	0	0	0	108.5	L194 P323 V336 W338	L194-Y321 HydrophobicContact CD2-CD1 4.26Å; L194-Y321 HydrophobicContact CD2-CD2 3.49Å; L194-Y321 VanDerWaalsContact CD2-CD2 3.49Å; L194-Y321 HydrophobicContact CD2-CE2 3.87Å; L194-Y321 HydrophobicContact CD2-CG 3.7Å; Y321-P323 HydrophobicContact CE1-CB 4.17Å; Y321-P323 HydrophobicContact CE1-CG 4.19Å; Y321-V336 HydrophobicContact CD2-CG1 3.93Å; Y321-V336 HydrophobicContact CE2-CB 4.39Å; Y321-V336 HydrophobicContact CE2-CG1 3.52Å; Y321-V336 HydrophobicContact CE2-CG2 4.19Å; Y321-W338 HydrophobicContact CD2-CH2 4.23Å; Y321-W338 HydrophobicContact CD2-CZ2 4.18Å
322	A	50.3	Low	47.3	Very low	38 Å²	38	83.3 Å²	83.3	31%	0.314	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106.6	174.7	0	0	0	0	0	108.4	K320 E324 R337 V339	K320-A322 PolarHBondContact O-N 2.75Å; A322-E324 PolarHBondContact O-N 2.81Å; A322-R337 PolarHBondContact N-O 2.92Å; A322-R337 VanDerWaalsContact N-O 3.15Å; A322-V339 HydrophobicContact CB-CG2 4.48Å
323	P	44.7	Very low	46.4	Very low	78 Å²	78	90.2 Å²	90.2	51%	0.506	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	123.1	168.6	25	-28.7	0	0	0	108.1	Y321 T325	Y321-P323 HydrophobicContact CE1-CB 4.17Å; Y321-P323 HydrophobicContact CE1-CG 4.19Å; P323-T325 PolarHBondContact O-N 3.09Å
324	E	40.9	Very low	45.6	Very low	74 Å²	74	93.4 Å²	93.4	35%	0.346	46%	0.457	S	S	.	.			trans	-66.2	102.4	174.6	-81.5	-167.8	154	0	0	109.3	A322 T326 R337	A322-E324 PolarHBondContact O-N 2.81Å; E324-T326 PolarHBondContact O-N 3.28Å; E324-R337 HydrophobicContact CG-CB 4.03Å; E324-R337 WeakPolarHBondContact OE1-CD 3.31Å; E324-R337 IonicContact OE1-CZ 3.57Å; E324-R337 IonicContact OE1-NE 3.37Å; E324-R337 IonicContact OE1-NH1 2.68Å; E324-R337 PolarHBondContact OE1-NH1 2.04Å
325	T	39.5	Very low	45	Very low	133 Å²	133	95.8 Å²	95.8	82%	0.816	46%	0.464	S	S	*	.			trans	-78.9	77	161.9	55.6	0	0	0	0	108.1	P323	P323-T325 PolarHBondContact O-N 3.09Å
326	T	36.8	Very low	44.8	Very low	87 Å²	87	93.8 Å²	93.8	53%	0.534	46%	0.455	S	S	.	.			trans	-78.7	122.8	163.1	44.5	0	0	0	0	107.6	E324 Y328	E324-T326 PolarHBondContact O-N 3.28Å; T326-Y328 PolarHBondContact O-N 3.43Å
327	P	36.5	Very low	44.6	Very low	86 Å²	86	95.4 Å²	95.4	56%	0.558	46%	0.459	S	S	*	.	S	Bend	trans	-74.7	-0.6	177.6	-7.6	22.8	0	0	0	113.1	M174	M174-P327 HydrophobicContact CE-CB 4.45Å
328	Y	40.1	Very low	44.5	Very low	112 Å²	112	93.1 Å²	93.1	44%	0.439	45%	0.448	S	S	.	.	S	Bend	trans	-148.5	92.3	-174.6	-67.1	-93.6	0	0	0	111.2	L173 T326	L173-Y328 HydrophobicContact CB-CE1 3.58Å; L173-Y328 VanDerWaalsContact CB-CZ 3.45Å; L173-Y328 WeakPolarHBondContact CB-OH 3.26Å; L173-Y328 HydrophobicContact CD1-CE1 3.49Å; L173-Y328 VanDerWaalsContact CD1-CE1 3.49Å; L173-Y328 WeakPolarHBondContact CD1-OH 3.17Å; L173-Y328 HydrophobicContact CD2-CD1 3.82Å; L173-Y328 HydrophobicContact CD2-CE1 3.17Å; L173-Y328 HydrophobicContact CG-CE1 3.5Å; T326-Y328 PolarHBondContact O-N 3.43Å
329	K	33.6	Very low	44.5	Very low	149 Å²	149	95.5 Å²	95.5	65%	0.648	46%	0.462	S	S	*	.			trans	176.3	88.4	142.5	-99.2	170.1	-178.6	-171.5	0	108.5	Q331	K329-Q331 PolarHBondContact O-N 2.03Å
330	H	41.5	Very low	44.5	Very low	148 Å²	148	97.3 Å²	97.3	69%	0.685	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	133.2	159.9	-84.9	-73.9	0	0	0	108.9	M177	M177-H330 PolarHBondContact O-CE1 2.71Å
331	Q	36.4	Very low	44.4	Very low	186 Å²	186	97.1 Å²	97.1	87%	0.869	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	13.9	174.7	-59.8	-173.7	-21.8	0	0	120	K329	K329-Q331 PolarHBondContact O-N 2.03Å
332	Q	38.9	Very low	44.6	Very low	143 Å²	143	96.5 Å²	96.5	67%	0.668	47%	0.473	S	S	*	.	S	Bend	trans	-107.6	127.2	156.4	-94.3	178.2	-22.7	0	0	110	Q334	Q332-Q334 PolarHBondContact O-N 3.36Å
333	R	41.4	Very low	44.8	Very low	180 Å²	180	95.5 Å²	95.5	68%	0.679	46%	0.462	S	S	*	.			trans	-30	131.6	174.6	-71.7	174.5	173.4	171.6	-3.7	110.9	R335	R333-R335 PolarHBondContact O-N 3.22Å
334	Q	42	Very low	45.4	Very low	166 Å²	166	98.2 Å²	98.2	78%	0.776	47%	0.466	S	S	*	.			trans	-51.2	105.7	170.2	-84	-178.6	-20.7	0	0	108.2	Q332 V336	Q332-Q334 PolarHBondContact O-N 3.36Å; Q334-V336 PolarHBondContact O-N 2.02Å; Q334-V336 VanDerWaalsContact O-N 3.16Å
335	R	42.2	Very low	46.3	Very low	121 Å²	121	95.3 Å²	95.3	46%	0.457	45%	0.453	S	S	.	.			trans	-78.7	107.5	-176.1	-147.1	176	177.4	177.8	-3.8	106	D219 R333 R337	D219-R335 IonicContact OD1-NH2 3.69Å; R333-R335 PolarHBondContact O-N 3.22Å; R335-R337 PolarHBondContact O-N 3.35Å
336	V	48.7	Very low	47.3	Very low	30 Å²	30	91 Å²	91	18%	0.182	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	119.1	177.1	172.7	0	0	0	0	107.8	V187 Y321 Q334	V187-V336 HydrophobicContact CG1-CG2 4.05Å; Y321-V336 HydrophobicContact CD2-CG1 3.93Å; Y321-V336 HydrophobicContact CE2-CB 4.39Å; Y321-V336 HydrophobicContact CE2-CG1 3.52Å; Y321-V336 HydrophobicContact CE2-CG2 4.19Å; Q334-V336 PolarHBondContact O-N 2.02Å; Q334-V336 VanDerWaalsContact O-N 3.16Å
337	R	52.3	Low	48.6	Very low	68 Å²	68	87.1 Å²	87.1	26%	0.257	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.2	-178.8	-168.4	167	178.7	177.8	0.3	111.1	A322 E324 R335 V339	A322-R337 PolarHBondContact N-O 2.92Å; A322-R337 VanDerWaalsContact N-O 3.15Å; E324-R337 HydrophobicContact CG-CB 4.03Å; E324-R337 WeakPolarHBondContact OE1-CD 3.31Å; E324-R337 IonicContact OE1-CZ 3.57Å; E324-R337 IonicContact OE1-NE 3.37Å; E324-R337 IonicContact OE1-NH1 2.68Å; E324-R337 PolarHBondContact OE1-NH1 2.04Å; R335-R337 PolarHBondContact O-N 3.35Å; R337-V339 HydrophobicContact CG-CG2 4.39Å
338	W	53.3	Low	50.1	Low	19 Å²	19	84.5 Å²	84.5	7%	0.072	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.2	178.3	-69.7	97.8	0	0	0	109.4	L194 I198 I223 V278 L319 Y321	L194-W338 HydrophobicContact CD1-CZ2 4.22Å; L194-W338 HydrophobicContact CD2-CH2 4.29Å; I198-W338 HydrophobicContact CD1-CH2 3.27Å; I198-W338 HydrophobicContact CD1-CZ2 3.71Å; I198-W338 HydrophobicContact CD1-CZ3 4.27Å; I198-W338 HydrophobicContact CG1-CH2 4.32Å; I198-W338 HydrophobicContact CG1-CZ2 4.38Å; I223-W338 HydrophobicContact CD1-CB 4.12Å; V278-W338 HydrophobicContact CB-CH2 4.27Å; V278-W338 HydrophobicContact CB-CZ3 4.11Å; V278-W338 HydrophobicContact CG1-CH2 4.4Å; L319-W338 HydrophobicContact CB-CE3 4.36Å; L319-W338 HydrophobicContact CD2-CB 3.74Å; L319-W338 HydrophobicContact CD2-CD2 4.39Å; L319-W338 HydrophobicContact CD2-CE3 3.91Å; L319-W338 HydrophobicContact CD2-CG 4.37Å; Y321-W338 HydrophobicContact CD2-CH2 4.23Å; Y321-W338 HydrophobicContact CD2-CZ2 4.18Å
339	V	53.8	Low	51.4	Low	55 Å²	55	83 Å²	83	33%	0.333	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.2	-179.6	-173.9	0	0	0	0	109.6	K320 A322 R337	K320-V339 PolarHBondContact N-O 3.26Å; K320-V339 PolarHBondContact O-N 2.9Å; A322-V339 HydrophobicContact CB-CG2 4.48Å; R337-V339 HydrophobicContact CG-CG2 4.39Å
340	I	53.9	Low	52.8	Low	56 Å²	56	81.5 Å²	81.5	29%	0.287	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.9	168.7	-60.9	172.4	0	0	0	107.7	I223 V318	I223-I340 HydrophobicContact CG2-CD1 4.15Å; I223-I340 HydrophobicContact CG2-CG1 4.29Å; V318-I340 CarbonylContact O-C 3.39Å; V318-I340 WeakPolarHBondContact O-CA 3.31Å
341	D	52.7	Low	53.9	Low	60 Å²	60	76.7 Å²	76.7	32%	0.321	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.5	-179.8	-159.8	3	0	0	0	109.7	V318 K320	V318-D341 HydrophobicContact CG2-CB 4.22Å; V318-D341 PolarHBondContact N-O 2.91Å; V318-D341 PolarHBondContact O-N 3.41Å; K320-D341 HydrophobicContact CB-CB 4.06Å; K320-D341 HydrophobicContact CD-CB 4.23Å; K320-D341 WeakPolarHBondContact CD-OD2 3.35Å; K320-D341 IonicContact NZ-OD2 2.9Å; K320-D341 PolarHBondContact NZ-OD2 2.77Å
342	E	56.8	Low	55.4	Low	38 Å²	38	74.4 Å²	74.4	18%	0.178	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	177	-69.6	-177.8	166.7	0	0	109.8	Y231 S233 L315 H316 E317	Y231-E342 VanDerWaalsContact CD1-CD 3.43Å; Y231-E342 WeakPolarHBondContact CD1-OE1 3.12Å; Y231-E342 WeakPolarHBondContact CD1-OE2 3.47Å; Y231-E342 WeakPolarHBondContact CE1-OE1 3.43Å; Y231-E342 WeakPolarHBondContact CE1-OE2 3.33Å; S233-E342 WeakPolarHBondContact CA-OE1 3.09Å; S233-E342 WeakPolarHBondContact CB-OE1 3.46Å; L315-E342 WeakPolarHBondContact CD1-OE2 3.38Å; L315-E342 HydrophobicContact CD2-CB 4.45Å; L315-E342 HydrophobicContact CD2-CG 4.13Å; L315-E342 HydrophobicContact CG-CB 4.35Å; H316-E342 WeakPolarHBondContact O-CA 3.44Å; E317-E342 HydrophobicContact CG-CG 4.28Å
343	I	54.4	Low	56.6	Low	16 Å²	16	69.9 Å²	69.9	8%	0.082	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.4	175.7	66.9	172.7	0	0	0	110.6	L272 F279 L284 L315 H316 V318 L345	L272-I343 HydrophobicContact CD2-CD1 3.67Å; F279-I343 HydrophobicContact CE1-CD1 3.94Å; F279-I343 HydrophobicContact CZ-CD1 3.59Å; L284-I343 HydrophobicContact CD2-CD1 4.18Å; L315-I343 WeakPolarHBondContact CA-O 3.01Å; H316-I343 HydrophobicContact CB-CG1 4.09Å; H316-I343 PolarHBondContact N-O 3.43Å; H316-I343 PolarHBondContact O-N 2.78Å; V318-I343 HydrophobicContact CG1-CD1 3.67Å; V318-I343 HydrophobicContact CG1-CG1 3.66Å; V318-I343 HydrophobicContact CG2-CG1 4.45Å; V318-I343 HydrophobicContact CG2-CG2 3.88Å; I343-L345 HydrophobicContact CD1-CD1 3.9Å; I343-L345 HydrophobicContact CD1-CD2 4.3Å; I343-L345 HydrophobicContact CD1-CG 4.06Å; I343-L345 HydrophobicContact CG1-CD1 4.5Å; I343-L345 HydrophobicContact CG1-CG 4.3Å
344	F	58.4	Low	57.7	Low	135 Å²	135	64.3 Å²	64.3	59%	0.592	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.9	173.3	-68.6	-82	0	0	0	109.1	T313 K314 L315	T313-F344 HydrophobicContact CG2-CB 3.65Å; T313-F344 HydrophobicContact CG2-CD1 3.93Å; T313-F344 HydrophobicContact CG2-CG 4.21Å; K314-F344 WeakPolarHBondContact O-CA 3Å; L315-F344 HydrophobicContact CB-CD1 4.26Å; L315-F344 HydrophobicContact CB-CE1 4.03Å; L315-F344 HydrophobicContact CD1-CE1 3.87Å; L315-F344 HydrophobicContact CD1-CZ 3.9Å; L315-F344 HydrophobicContact CG-CE1 4.28Å
345	L	58.8	Low	58.7	Low	14 Å²	14	58.7 Å²	58.7	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.1	176	-63.1	-179.7	0	0	0	110.8	L268 L272 L284 V286 K314 I343 H347	L268-L345 HydrophobicContact CD1-CD1 4.06Å; L272-L345 HydrophobicContact CD2-CD1 4.38Å; L272-L345 HydrophobicContact CD2-CD2 4.29Å; L284-L345 HydrophobicContact CD2-CD1 2.99Å; L284-L345 HydrophobicContact CD2-CG 4.27Å; L284-L345 HydrophobicContact CG-CD1 4.46Å; V286-L345 HydrophobicContact CG2-CB 4.23Å; V286-L345 HydrophobicContact CG2-CD1 3.58Å; K314-L345 PolarHBondContact N-O 3.41Å; K314-L345 PolarHBondContact O-N 2.92Å; I343-L345 HydrophobicContact CD1-CD1 3.9Å; I343-L345 HydrophobicContact CD1-CD2 4.3Å; I343-L345 HydrophobicContact CD1-CG 4.06Å; I343-L345 HydrophobicContact CG1-CD1 4.5Å; I343-L345 HydrophobicContact CG1-CG 4.3Å; L345-H347 PolarHBondContact O-CD2 2.69Å; L345-H347 PolarHBondContact O-N 2.03Å
346	S	60.9	Low	59.5	Low	41 Å²	41	57.7 Å²	57.7	29%	0.287	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.6	176.3	-173.2	0	0	0	0	110.2	V286 R288	V286-S346 VanDerWaalsContact CG1-O 3.3Å; V286-S346 WeakPolarHBondContact CG1-O 2.96Å; R288-S346 PolarHBondContact NE-O 2.77Å; R288-S346 PolarHBondContact NH1-O 2.71Å; R288-S346 PolarHBondContact NH2-O 3.04Å
347	H	65	Low	59.8	Low	7 Å²	7	63.6 Å²	63.6	3%	0.032	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	172.9	-78.7	-128.1	0	0	0	108.8	L285 K287 T311 T312 K314 H316 L345 E349	L285-H347 PolarHBondContact O-CE1 3.33Å; K287-H347 HydrophobicContact CB-CB 4.25Å; K287-H347 PolarHBondContact N-ND1 2.93Å; K287-H347 CarbonylContact O-C 3.56Å; K287-H347 WeakPolarHBondContact O-CA 3.37Å; T311-H347 CarbonylContact C-O 3.43Å; T311-H347 WeakPolarHBondContact CA-O 3.37Å; T312-H347 PolarHBondContact N-O 2.84Å; T312-H347 WeakPolarHBondContact O-CB 3.49Å; T312-H347 PolarHBondContact O-N 2.96Å; K314-H347 HydrophobicContact CD-CB 4.25Å; K314-H347 HydrophobicContact CG-CB 4.28Å; H316-H347 AromaticContact CE1-CE1 4Å; H316-H347 AromaticContact CE1-NE2 3.64Å; H316-H347 AromaticContact NE2-CE1 3.8Å; H316-H347 AromaticContact NE2-NE2 3.06Å; H316-H347 PolarHBondContact NE2-NE2 3.02Å; L345-H347 PolarHBondContact O-CD2 2.69Å; L345-H347 PolarHBondContact O-N 2.03Å; H347-E349 PolarHBondContact O-N 3.19Å
348	H	67.4	Low	59.4	Low	30 Å²	30	68.9 Å²	68.9	14%	0.139	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.1	170.6	-55	-172.2	0	0	0	107.7	K287 R288 C289 P308 K310	K287-H348 WeakPolarHBondContact CB-O 3.36Å; K287-H348 PolarHBondContact O-N 3.26Å; R288-H348 VanDerWaalsContact CD-NE2 3.35Å; R288-H348 WeakPolarHBondContact CD-NE2 3.35Å; R288-H348 PolarHBondContact NH1-NE2 2.73Å; C289-H348 PolarHBondContact N-ND1 3.42Å; C289-H348 WeakPolarHBondContact SG-CB 3.06Å; C289-H348 PolarHBondContact SG-ND1 2.95Å; C289-H348 VanDerWaalsContact SG-ND1 3.36Å; P308-H348 HydrophobicContact CB-CB 4.06Å; K310-H348 CarbonylContact O-C 3.56Å
349	E	66.6	Low	58.6	Low	82 Å²	82	73.1 Å²	73.1	38%	0.383	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-37.5	178.5	-70.5	-158.3	155.6	0	0	112.6	K310 T312 H347	K310-E349 HydrophobicContact CB-CB 4.43Å; K310-E349 HydrophobicContact CD-CB 4.33Å; K310-E349 WeakPolarHBondContact CE-OE2 3.29Å; K310-E349 HydrophobicContact CG-CB 4.4Å; K310-E349 IonicContact NZ-OE2 2.77Å; K310-E349 PolarHBondContact NZ-OE2 2.83Å; K310-E349 PolarHBondContact O-N 2.84Å; T312-E349 WeakPolarHBondContact CB-OE1 3.2Å; T312-E349 HydrophobicContact CG2-CG 3.67Å; T312-E349 WeakPolarHBondContact CG2-OE1 3.41Å; T312-E349 VanDerWaalsContact CG2-OE2 3.31Å; T312-E349 WeakPolarHBondContact CG2-OE2 3.49Å; T312-E349 WeakPolarHBondContact OG1-CG 3.09Å; T312-E349 PolarHBondContact OG1-OE1 2.84Å; H347-E349 PolarHBondContact O-N 3.19Å
350	M	62.4	Low	58.1	Low	117 Å²	117	76.8 Å²	76.8	58%	0.576	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	141.3	177.8	-60.7	-178	97.2	0	0	109.2	P308 S309 K310	P308-M350 WeakPolarHBondContact CA-O 3.48Å; S309-M350 PolarHBondContact N-O 2.97Å; S309-M350 VanDerWaalsContact OG-CB 3.29Å; S309-M350 WeakPolarHBondContact OG-CB 3.37Å; S309-M350 PolarHBondContact OG-O 3.36Å; K310-M350 HydrophobicContact CB-CB 3.88Å; K310-M350 HydrophobicContact CB-CG 4.14Å; K310-M350 HydrophobicContact CB-SD 4.47Å; K310-M350 HydrophobicContact CD-SD 4.31Å; K310-M350 PolarHBondContact N-O 2.94Å; K310-M350 PolarHBondContact O-N 3.38Å
351	C	66.1	Low	57.1	Low	47 Å²	47	89.4 Å²	89.4	32%	0.318	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132	-179.9	-58.9	0	0	0	0	108.9	C289 Q307	C289-C351 WeakPolarHBondContact CA-SG 3.46Å; C289-C351 HydrophobicContact CB-CB 3.77Å; C289-C351 WeakPolarHBondContact CB-SG 3.43Å; C289-C351 WeakPolarHBondContact SG-CA 3.3Å; C289-C351 WeakPolarHBondContact SG-CB 3.08Å; C289-C351 CovalentContact SG-SG 2.02Å; C289-C351 PolarHBondContact SG-SG 2.79Å; Q307-C351 CarbonylContact O-C 3.59Å; Q307-C351 WeakPolarHBondContact O-CA 3.45Å
352	E	66.7	Low	57.4	Low	138 Å²	138	90.9 Å²	90.9	65%	0.645	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.5	166.2	-81.9	171.5	-158.7	0	0	108.1	C306 Q307 S309	C306-E352 CarbonylContact C-O 3.54Å; C306-E352 WeakPolarHBondContact CA-O 3.02Å; Q307-E352 PolarHBondContact N-O 3.28Å; Q307-E352 PolarHBondContact O-N 3.49Å; S309-E352 VanDerWaalsContact CB-OE1 3.24Å; S309-E352 WeakPolarHBondContact CB-OE1 2.99Å
353	C	65.9	Low	57.4	Low	47 Å²	47	93.6 Å²	93.6	32%	0.318	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.2	-177.3	-64.7	0	0	0	0	110	T305 C306	T305-C353 CarbonylContact O-C 3.56Å; T305-C353 VanDerWaalsContact O-CA 3.29Å; T305-C353 WeakPolarHBondContact O-CA 3.03Å; C306-C353 HydrophobicContact CB-CB 4.12Å; C306-C353 WeakPolarHBondContact CB-SG 3.29Å; C306-C353 WeakPolarHBondContact SG-CB 3.36Å; C306-C353 CovalentContact SG-SG 2.03Å; C306-C353 PolarHBondContact SG-SG 3.31Å
354	A	64.2	Low	57.6	Low	63 Å²	63	97.9 Å²	97.9	52%	0.521	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115	169.3	0	0	0	0	0	108.7	C304 T305	C304-A354 WeakPolarHBondContact CA-O 3.05Å; T305-A354 PolarHBondContact N-O 2.93Å; T305-A354 PolarHBondContact O-N 2.73Å
355	C	62.1	Low	57.5	Low	48 Å²	48	95.8 Å²	95.8	32%	0.324	51%	0.51	S	S	.	.			trans	-114	133.2	177.7	-73.4	0	0	0	0	110.4	C295 C304 L357	C295-C355 PolarHBondContact SG-SG 3Å; C304-C355 HydrophobicContact CB-CB 4.22Å; C304-C355 WeakPolarHBondContact CB-SG 3.37Å; C304-C355 WeakPolarHBondContact SG-CB 3.04Å; C304-C355 CovalentContact SG-SG 2.04Å; C304-C355 PolarHBondContact SG-SG 2.86Å; C355-L357 PolarHBondContact O-N 3.22Å
356	P	59.3	Low	57.4	Low	100 Å²	100	100.9 Å²	100.9	65%	0.649	54%	0.538	S	S	*	.	S	Bend	trans	-65.1	-18.8	-179.1	-20.1	30.2	0	0	0	114.5	G303	G303-P356 WeakPolarHBondContact O-CD 3.5Å; G303-P356 WeakPolarHBondContact O-CG 3.24Å
357	L	54.8	Low	57.2	Low	155 Å²	155	104.9 Å²	104.9	81%	0.812	56%	0.555	S	S	*	*	S	Bend	trans	-111.6	87.4	-177.5	-71.8	165.4	0	0	0	111.4	C355	C355-L357 PolarHBondContact O-N 3.22Å
358	Q	44.2	Very low	56.7	Low	178 Å²	178	111.9 Å²	111.9	83%	0.832	59%	0.592	S	S	*	*			trans	61.5	149.6	164	-87	-172.3	-10.7	0	0	120.1
359	P	36.3	Very low	55.8	Low	108 Å²	108	118.2 Å²	118.2	70%	0.701	63%	0.627	S	S	*	*			trans	-76.8	156.9	-159.7	32.1	-34.5	0	0	0	112.9	R361	P359-R361 PolarHBondContact O-N 3.46Å
360	P	43.8	Very low	54.9	Low	132 Å²	132	121.2 Å²	121.2	86%	0.857	65%	0.647	S	S	*	*			trans	-65.5	132.2	-178	27.2	-32.7	0	0	0	110.8
361	R	33.3	Very low	54.2	Low	321 Å²	321	121.5 Å²	121.5	100%	1.211	65%	0.653	S	S	*	*			trans	-87.7	0	158	-90.4	-170.9	-179.9	173.8	1.1	109.8	P359	P359-R361 PolarHBondContact O-N 3.46Å

Retrieved 361 of 361 residues in 412.2 ms (Link to these results)

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