A0A061ILE8_CRIGR Loading...

Purine nucleoside phosphorylase

Catalyzes the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate. Preferentially acts on 6-oxopurine nucleosides including inosine and guanosine.

AlphaFold DB , UniProt , Accession A0A061ILE8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pnp, Length 344 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	29.2	Very low	253 Å²	253	153.5 Å²	153.5	100%	1.246	81%	0.812	S	S	*	*				0	141.5	0	-102.8	168.9	174.9	0	0	108.5
2	R	23.5	Very low	30.2	Very low	235 Å²	235	149.7 Å²	149.7	89%	0.887	80%	0.803	S	S	*	*			trans	-66.2	137.5	-169.2	-77.7	179.4	-178.2	171.8	0.2	113.2
3	V	26.4	Very low	30	Very low	120 Å²	120	151.2 Å²	151.2	73%	0.727	81%	0.809	S	S	*	*				86.3	108.6	98.9	168.4	0	0	0	0	111.9
4	C	26.6	Very low	30.3	Very low	94 Å²	94	147.6 Å²	147.6	64%	0.635	81%	0.812	S	S	*	*				112.6	161.2	77.7	-80.9	0	0	0	0	109.6
5	H	28.8	Very low	30.2	Very low	143 Å²	143	141.9 Å²	141.9	66%	0.662	80%	0.8	S	S	*	*			cis	-167.2	160.6	13	-114.3	-42.2	0	0	0	111.1
6	H	28.8	Very low	30.3	Very low	173 Å²	173	139.7 Å²	139.7	80%	0.801	81%	0.805	S	S	*	*			trans	43.5	151.9	141.7	-66.7	-49.5	0	0	0	121.6
7	G	25.7	Very low	30.3	Very low	58 Å²	58	145.2 Å²	145.2	60%	0.598	81%	0.81	S	S	*	*			cis	-173.7	163.9	6.4	0	0	0	0	0	103.6
8	D	28.4	Very low	30.1	Very low	166 Å²	166	141.2 Å²	141.2	89%	0.888	81%	0.807	S	S	*	*				176.9	156.3	60.7	-81.3	-35.4	0	0	0	107.7
9	L	31.6	Very low	30.1	Very low	162 Å²	162	144.9 Å²	144.9	85%	0.848	81%	0.806	S	S	*	*			trans	-89.4	147.7	161.8	-88.7	160.8	0	0	0	109.1
10	P	33.3	Very low	30	Very low	124 Å²	124	141.7 Å²	141.7	81%	0.805	81%	0.807	S	S	*	*				-151.5	159.3	93.1	36.7	-17.1	0	0	0	116.6
11	L	32.4	Very low	30.2	Very low	160 Å²	160	145.1 Å²	145.1	84%	0.838	81%	0.808	S	S	*	*			trans	-73.7	162.6	156.6	-72.5	162.7	0	0	0	109.1
12	P	41.9	Very low	30	Very low	108 Å²	108	143 Å²	143	70%	0.701	79%	0.792	S	S	*	*			cis	-149.4	-179.1	32.9	34.3	-9.1	0	0	0	116.4
13	L	27.4	Very low	30.5	Very low	169 Å²	169	136.9 Å²	136.9	89%	0.885	79%	0.792	S	S	*	*			trans	142.9	138.8	135.9	-80.5	159.1	0	0	0	115.9
14	A	34.3	Very low	30.9	Very low	102 Å²	102	134 Å²	134	84%	0.843	79%	0.787	S	S	*	*			trans	-50.1	145.6	177.7	0	0	0	0	0	115.5
15	G	28.3	Very low	31.2	Very low	62 Å²	62	136 Å²	136	64%	0.639	80%	0.798	S	S	*	*			trans	-169	121.1	167	0	0	0	0	0	111.2
16	A	32.3	Very low	31.3	Very low	106 Å²	106	140.7 Å²	140.7	88%	0.876	81%	0.81	S	S	*	*			trans	-51.9	129.5	-174.8	0	0	0	0	0	114.8	G18	A16-G18 PolarHBondContact O-N 3.35Å
17	W	29.9	Very low	31.4	Very low	234 Å²	234	141.5 Å²	141.5	89%	0.886	81%	0.814	S	S	*	*			trans	-88.4	89.3	161.7	-69.6	92.1	0	0	0	109.1	W19	W17-W19 PolarHBondContact O-N 3.49Å
18	G	26.9	Very low	31.6	Very low	73 Å²	73	147.3 Å²	147.3	75%	0.753	83%	0.826	S	S	*	*			trans	-74.9	114.6	164.9	0	0	0	0	0	110	A16 G20	A16-G18 PolarHBondContact O-N 3.35Å; G18-G20 PolarHBondContact O-N 3.48Å
19	W	30.9	Very low	31.6	Very low	212 Å²	212	145.2 Å²	145.2	80%	0.803	82%	0.823	S	S	*	*			trans	-86.8	103.2	165.9	-74.8	79.8	0	0	0	108.6	W17 Y21	W17-W19 PolarHBondContact O-N 3.49Å; W19-Y21 PolarHBondContact O-N 3.4Å
20	G	27.9	Very low	31.6	Very low	79 Å²	79	143.5 Å²	143.5	81%	0.814	82%	0.819	S	S	*	*			trans	-72.7	114.6	171	0	0	0	0	0	110.6	G18	G18-G20 PolarHBondContact O-N 3.48Å
21	Y	32.8	Very low	31.5	Very low	214 Å²	214	145.1 Å²	145.1	84%	0.839	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-87	121	166.4	-80.4	-90.5	0	0	0	109.7	W19	W19-Y21 PolarHBondContact O-N 3.4Å
22	K	32	Very low	31.5	Very low	210 Å²	210	143.1 Å²	143.1	91%	0.913	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-71.9	121.1	166.3	-81.4	-177.9	174.6	179.4	0	109
23	A	33.2	Very low	30.9	Very low	105 Å²	105	144 Å²	144	87%	0.868	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.1	121.6	172.3	0	0	0	0	0	110.5
24	G	34.7	Very low	31.1	Very low	61 Å²	61	143.4 Å²	143.4	63%	0.629	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-81.5	161.4	163.8	0	0	0	0	0	111.5
25	P	33.5	Very low	31	Very low	135 Å²	135	146.2 Å²	146.2	88%	0.877	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.3	139.3	-169.8	27	-33.1	0	0	0	112.5
26	R	31.7	Very low	31.3	Very low	242 Å²	242	149.4 Å²	149.4	91%	0.913	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.6	118.8	175	-74.3	177.3	173.5	176.6	-2.9	109.8
27	E	31.3	Very low	31.3	Very low	190 Å²	190	153.1 Å²	153.1	89%	0.888	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-76.3	122.1	161.5	-75.8	-177.8	159.8	0	0	109.4
28	Q	29.9	Very low	31.4	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	83%	0.825	S	S	*	*			trans	-91.6	108	171.7	-76.6	176.7	-18.1	0	0	108.4	T30	Q28-T30 PolarHBondContact O-N 3.29Å
29	C	28.3	Very low	31.8	Very low	123 Å²	123	152 Å²	152	83%	0.831	83%	0.828	S	S	*	*			trans	-80.6	108.7	164.4	-77	0	0	0	0	109.1
30	T	31	Very low	31.9	Very low	125 Å²	125	146.8 Å²	146.8	77%	0.767	82%	0.824	S	S	*	*			trans	-82.4	115.9	170.4	51	0	0	0	0	109.4	Q28 S32	Q28-T30 PolarHBondContact O-N 3.29Å; T30-S32 PolarHBondContact O-N 3.45Å
31	N	30.7	Very low	32.3	Very low	159 Å²	159	149.5 Å²	149.5	85%	0.85	83%	0.827	S	S	*	*			trans	-81.3	115.3	167.3	-79.9	-17.7	0	0	0	109.1	V33	N31-V33 PolarHBondContact O-N 2.95Å
32	S	31.8	Very low	32.6	Very low	118 Å²	118	143.2 Å²	143.2	83%	0.825	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-67.5	123.1	167.7	52.3	0	0	0	0	110	T30	T30-S32 PolarHBondContact O-N 3.45Å
33	V	31.2	Very low	32.9	Very low	126 Å²	126	141.4 Å²	141.4	76%	0.764	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.3	116.5	170.8	179.3	0	0	0	0	107.8	N31 Q35	N31-V33 PolarHBondContact O-N 2.95Å; V33-Q35 HydrophobicContact CG1-CG 4.42Å
34	D	30.5	Very low	33.1	Very low	157 Å²	157	148.2 Å²	148.2	84%	0.84	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.7	118.9	166.4	-157.5	4.5	0	0	0	108.7
35	Q	33	Very low	33.3	Very low	160 Å²	160	154.2 Å²	154.2	75%	0.748	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-92.9	120.6	172.8	-72.6	-173.6	-2.4	0	0	108.1	V33	V33-Q35 HydrophobicContact CG1-CG 4.42Å
36	T	34.6	Very low	33.8	Very low	129 Å²	129	151.7 Å²	151.7	79%	0.791	82%	0.824	S	S	*	*				165.8	116.5	126.9	37	0	0	0	0	110.1
37	Q	31.2	Very low	34	Very low	185 Å²	185	147.5 Å²	147.5	86%	0.864	82%	0.815	S	S	*	*				177.9	104.3	128.8	-95.9	176.6	30	0	0	108.6
38	T	33.4	Very low	34.4	Very low	149 Å²	149	144.4 Å²	144.4	91%	0.914	81%	0.805	S	S	*	*			trans	-73.7	119.5	171.6	44.8	0	0	0	0	109.6
39	V	34.7	Very low	34.7	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	80%	0.798	S	S	*	*			trans	-106.8	128.4	165.8	-174.1	0	0	0	0	108
40	S	32.2	Very low	35.2	Very low	101 Å²	101	142 Å²	142	71%	0.706	79%	0.79	S	S	*	*			trans	-70.7	152.5	-173.7	54.5	0	0	0	0	113.2	A42	S40-A42 PolarHBondContact O-N 3.14Å
41	P	35.9	Very low	35.5	Very low	137 Å²	137	140.3 Å²	140.3	89%	0.89	79%	0.788	S	S	*	*			trans	-92.2	92.7	-179.9	34.2	-28.4	0	0	0	110.5
42	A	39	Very low	35.9	Very low	81 Å²	81	137 Å²	137	67%	0.669	78%	0.782	S	S	*	*			trans	-147.4	136.6	161.5	0	0	0	0	0	109.7	S40	S40-A42 PolarHBondContact O-N 3.14Å
43	E	38.5	Very low	36.5	Very low	173 Å²	173	137.3 Å²	137.3	81%	0.808	78%	0.779	S	S	*	*			trans	79.4	73.8	170.7	-49.9	-170.7	144.2	0	0	117.5
44	R	38.2	Very low	37.2	Very low	248 Å²	248	134.3 Å²	134.3	94%	0.936	77%	0.774	S	S	*	*			trans	-109.5	88.7	141.1	-70.1	-170.2	-148.3	-163.4	6.2	108.6
45	K	38.1	Very low	38.1	Very low	186 Å²	186	133.6 Å²	133.6	81%	0.809	77%	0.77	S	S	*	*			trans	-60.3	135.3	160.9	-81.7	177.9	175.7	171.9	0	107.9	Q47	K45-Q47 PolarHBondContact O-N 2.82Å; K45-Q47 VanDerWaalsContact O-N 3.11Å
46	G	43.7	Very low	38.8	Very low	82 Å²	82	132.5 Å²	132.5	85%	0.845	77%	0.774	S	S	*	*			trans	-49.7	115.2	-178.1	0	0	0	0	0	111.7
47	Q	37.3	Very low	39.9	Very low	154 Å²	154	134 Å²	134	72%	0.72	77%	0.774	S	S	*	*			trans	-86.1	113.5	155.4	-77.3	179.4	-20.9	0	0	106	K45 F49	K45-Q47 PolarHBondContact O-N 2.82Å; K45-Q47 VanDerWaalsContact O-N 3.11Å; Q47-F49 HydrophobicContact CB-CD2 4.32Å; Q47-F49 HydrophobicContact CB-CE2 4.03Å; Q47-F49 VanDerWaalsContact O-CD2 3.25Å; Q47-F49 WeakPolarHBondContact O-CD2 3.44Å; Q47-F49 PolarHBondContact O-N 3.25Å
48	D	38.3	Very low	41.5	Very low	126 Å²	126	132.4 Å²	132.4	67%	0.674	77%	0.767	S	S	*	*			trans	-64.5	97.5	169.4	-168.6	-7.6	0	0	0	108.1	S50	D48-S50 PolarHBondContact O-N 3.04Å; D48-S50 VanDerWaalsContact OD1-CB 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.37Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-S50 PolarHBondContact OD1-OG 3.04Å
49	F	38.1	Very low	43.5	Very low	159 Å²	159	133.6 Å²	133.6	70%	0.697	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-73.5	2.1	177.7	-85	-86.5	0	0	0	112.8	Q47 A51	Q47-F49 HydrophobicContact CB-CD2 4.32Å; Q47-F49 HydrophobicContact CB-CE2 4.03Å; Q47-F49 VanDerWaalsContact O-CD2 3.25Å; Q47-F49 WeakPolarHBondContact O-CD2 3.44Å; Q47-F49 PolarHBondContact O-N 3.25Å; F49-A51 VanDerWaalsContact C-N 3.34Å; F49-A51 PolarHBondContact O-N 3.46Å
50	S	37.2	Very low	45.8	Very low	93 Å²	93	129.8 Å²	129.8	65%	0.65	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-78.2	-14.8	-178.7	75.6	0	0	0	0	114.2	D48	D48-S50 PolarHBondContact O-N 3.04Å; D48-S50 VanDerWaalsContact OD1-CB 3.29Å; D48-S50 WeakPolarHBondContact OD1-CB 3.37Å; D48-S50 PolarHBondContact OD1-N 3.45Å; D48-S50 PolarHBondContact OD1-OG 3.04Å
51	A	38.3	Very low	48.7	Very low	88 Å²	88	128.9 Å²	128.9	73%	0.727	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-94.3	-3.3	-173.3	0	0	0	0	0	115.5	F49	F49-A51 VanDerWaalsContact C-N 3.34Å; F49-A51 PolarHBondContact O-N 3.46Å
52	A	39.6	Very low	51.6	Low	89 Å²	89	123.4 Å²	123.4	74%	0.736	68%	0.681	S	S	*	*	S	Bend	trans	-111.4	4.8	-173.6	0	0	0	0	0	115.1
53	V	43	Very low	54.4	Low	125 Å²	125	122.8 Å²	122.8	76%	0.758	67%	0.669	S	S	*	*	S	Bend	trans	-104.1	12.6	176.6	-163.2	0	0	0	0	111.6
54	G	45.5	Very low	57.2	Low	63 Å²	63	116.5 Å²	116.5	65%	0.649	64%	0.639	S	S	*	*	S	Bend	trans	-87.3	122.1	173.1	0	0	0	0	0	111.1
55	D	49.9	Very low	60.1	Low	143 Å²	143	109.1 Å²	109.1	77%	0.765	62%	0.615	S	S	*	*	S	Bend	trans	94.5	31	156.1	-134.7	22.3	0	0	0	119.7
56	T	47.6	Very low	63	Low	136 Å²	136	102.4 Å²	102.4	83%	0.834	59%	0.587	S	S	*	*			trans	-113.5	19.1	166.8	53.4	0	0	0	0	114.3	E58	T56-E58 PolarHBondContact O-N 3.48Å
57	M	59	Low	65.6	Low	160 Å²	160	98.6 Å²	98.6	79%	0.788	55%	0.548	S	S	*	.	S	Bend	trans	-75.1	117.3	168.7	-72.7	-85	-177.5	0	0	108.7	K59	M57-K59 PolarHBondContact O-N 3.12Å; M57-K59 VanDerWaalsContact O-N 3.11Å
58	E	64.2	Low	68.5	Low	152 Å²	152	94.6 Å²	94.6	71%	0.71	53%	0.529	S	S	*	.			trans	-56.1	115.5	174.2	-159.1	170.9	-159.6	0	0	109	T56	T56-E58 PolarHBondContact O-N 3.48Å
59	K	75.1	Confident	71.4	Confident	174 Å²	174	91 Å²	91	76%	0.757	51%	0.513	S	S	*	.			trans	-67.4	143.9	178.3	-70.2	-179.7	-178.9	174.6	0	109.2	M57	M57-K59 PolarHBondContact O-N 3.12Å; M57-K59 VanDerWaalsContact O-N 3.11Å
60	N	84.1	Confident	74.3	Confident	55 Å²	55	83.4 Å²	83.4	29%	0.294	48%	0.48	S	S	.	.			trans	-58.1	140.5	173.4	-73.6	-24.4	0	0	0	110	F62 P207	N60-F62 PolarHBondContact O-N 3.27Å; N60-P207 PolarHBondContact ND2-O 3.05Å; N60-P207 WeakPolarHBondContact OD1-CD 3.45Å
61	E	92.9	Very high	77.2	Confident	83 Å²	83	79.1 Å²	79.1	39%	0.388	45%	0.45	S	S	.	.	S	Bend	trans	-60.7	-33.3	179.1	-176.9	176.5	-168.7	0	0	112.7	S149 K152	E61-S149 VanDerWaalsContact OE2-CB 3.32Å; E61-S149 WeakPolarHBondContact OE2-CB 3.4Å; E61-S149 PolarHBondContact OE2-OG 3.07Å; E61-K152 WeakPolarHBondContact OE1-CD 3.17Å; E61-K152 WeakPolarHBondContact OE1-CE 3.24Å; E61-K152 IonicContact OE1-NZ 3.67Å; E61-K152 PolarHBondContact OE1-NZ 3.49Å
62	F	96.8	Very high	80.1	Confident	22 Å²	22	79.9 Å²	79.9	10%	0.096	44%	0.439	C	S	.	.	S	Bend	trans	-123.3	137.5	175.4	-61.3	-74.4	0	0	0	110.3	N60 D66 Y67 N112 K152 F155	N60-F62 PolarHBondContact O-N 3.27Å; F62-D66 HydrophobicContact CB-CB 4.31Å; F62-D66 HydrophobicContact CD1-CB 4.16Å; F62-Y67 HydrophobicContact CB-CE1 4.47Å; F62-Y67 HydrophobicContact CB-CE2 3.74Å; F62-N112 HydrophobicContact CE1-CB 4.41Å; F62-K152 HydrophobicContact CE2-CB 4.4Å; F62-K152 HydrophobicContact CE2-CG 3.59Å; F62-K152 HydrophobicContact CZ-CG 3.68Å; F62-F155 HydrophobicContact CB-CD2 4.43Å; F62-F155 HydrophobicContact CB-CE2 4.41Å; F62-F155 AromaticContact CD1-CD2 3.84Å; F62-F155 HydrophobicContact CD1-CD2 3.84Å; F62-F155 AromaticContact CD1-CE2 3.7Å; F62-F155 HydrophobicContact CD1-CE2 3.7Å; F62-F155 AromaticContact CD2-CD2 3.7Å; F62-F155 HydrophobicContact CD2-CD2 3.7Å; F62-F155 HydrophobicContact CD2-CE2 4.36Å; F62-F155 AromaticContact CE1-CD2 3.91Å; F62-F155 HydrophobicContact CE1-CD2 3.91Å; F62-F155 AromaticContact CE1-CE2 3.95Å; F62-F155 HydrophobicContact CE1-CE2 3.95Å; F62-F155 HydrophobicContact CE2-CB 4.39Å; F62-F155 AromaticContact CE2-CD2 3.77Å; F62-F155 HydrophobicContact CE2-CD2 3.77Å; F62-F155 HydrophobicContact CE2-CG 4.43Å; F62-F155 AromaticContact CG-CD2 3.72Å; F62-F155 HydrophobicContact CG-CD2 3.72Å; F62-F155 AromaticContact CG-CE2 3.91Å; F62-F155 HydrophobicContact CG-CE2 3.91Å; F62-F155 AromaticContact CZ-CD2 3.86Å; F62-F155 HydrophobicContact CZ-CD2 3.86Å; F62-F155 HydrophobicContact CZ-CE2 4.37Å; F62-F155 HydrophobicContact CZ-CG 4.49Å
63	T	97.3	Very high	82.9	Confident	68 Å²	68	78.8 Å²	78.8	42%	0.417	42%	0.416	S	S	.	.			trans	-83.3	166.6	169.7	66	0	0	0	0	110.6	E65 D66 Y67	T63-E65 PolarHBondContact O-N 3.46Å; T63-D66 WeakPolarHBondContact CB-OD2 3.44Å; T63-D66 PolarHBondContact N-OD2 3.11Å; T63-D66 PolarHBondContact O-N 3.37Å; T63-D66 PolarHBondContact OG1-N 3.4Å; T63-D66 PolarHBondContact OG1-OD2 3.11Å; T63-Y67 WeakPolarHBondContact O-CD2 3.3Å; T63-Y67 WeakPolarHBondContact O-CE2 3.33Å
64	Y	98.1	Very high	85.6	Confident	41 Å²	41	72.8 Å²	72.8	16%	0.161	38%	0.38	C	S	.	.	H	α-helix	trans	-59.5	-37.6	172.3	-179.2	-90.6	0	0	0	111.6	D66 Y67 Q68 L162 E209 R211 F212	Y64-D66 VanDerWaalsContact C-N 3.27Å; Y64-D66 PolarHBondContact O-N 3.14Å; Y64-Y67 WeakPolarHBondContact O-CB 3.41Å; Y64-Y67 PolarHBondContact O-N 3.24Å; Y64-Y67 VanDerWaalsContact O-N 3.12Å; Y64-Q68 HydrophobicContact CD1-CB 4.3Å; Y64-Q68 HydrophobicContact CE1-CB 4.13Å; Y64-Q68 WeakPolarHBondContact O-CB 3.47Å; Y64-Q68 PolarHBondContact O-N 3.31Å; Y64-L162 HydrophobicContact CE2-CD2 4.34Å; Y64-E209 HydrophobicContact CD2-CG 4.06Å; Y64-R211 HydrophobicContact CD2-CB 3.9Å; Y64-R211 HydrophobicContact CE2-CB 3.62Å; Y64-R211 HydrophobicContact CE2-CG 4.39Å; Y64-F212 HydrophobicContact CD2-CD2 4.26Å; Y64-F212 HydrophobicContact CD2-CE1 4.46Å; Y64-F212 AromaticContact CD2-CE2 3.63Å; Y64-F212 HydrophobicContact CD2-CE2 3.63Å; Y64-F212 AromaticContact CD2-CZ 3.74Å; Y64-F212 HydrophobicContact CD2-CZ 3.74Å; Y64-F212 HydrophobicContact CE2-CE1 4.19Å; Y64-F212 HydrophobicContact CE2-CE2 4.16Å; Y64-F212 AromaticContact CE2-CZ 3.88Å; Y64-F212 HydrophobicContact CE2-CZ 3.88Å
65	E	98.3	Very high	88.1	Confident	92 Å²	92	72.1 Å²	72.1	43%	0.43	36%	0.361	S	S	.	.	H	α-helix	trans	-65.4	-30.6	-178.3	-65.8	66.1	-143.3	0	0	111.6	T63 Q68 S69 R211	T63-E65 PolarHBondContact O-N 3.46Å; E65-Q68 PolarHBondContact O-N 3.17Å; E65-S69 VanDerWaalsContact O-CB 3.28Å; E65-S69 WeakPolarHBondContact O-CB 3.46Å; E65-S69 PolarHBondContact O-N 3.48Å; E65-S69 PolarHBondContact O-OG 3.32Å; E65-R211 IonicContact OE1-CZ 3.96Å; E65-R211 IonicContact OE1-NH1 2.79Å; E65-R211 PolarHBondContact OE1-NH1 3.45Å; E65-R211 IonicContact OE1-NH2 3.52Å
66	D	98.5	Very high	90.4	Very high	45 Å²	45	69.5 Å²	69.5	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-65	-42.7	171.8	-61.9	-48.6	0	0	0	111.7	F62 T63 Y64 S69 T70 N112	F62-D66 HydrophobicContact CB-CB 4.31Å; F62-D66 HydrophobicContact CD1-CB 4.16Å; T63-D66 WeakPolarHBondContact CB-OD2 3.44Å; T63-D66 PolarHBondContact N-OD2 3.11Å; T63-D66 PolarHBondContact O-N 3.37Å; T63-D66 PolarHBondContact OG1-N 3.4Å; T63-D66 PolarHBondContact OG1-OD2 3.11Å; Y64-D66 VanDerWaalsContact C-N 3.27Å; Y64-D66 PolarHBondContact O-N 3.14Å; D66-S69 PolarHBondContact O-OG 2.68Å; D66-S69 VanDerWaalsContact O-OG 3.06Å; D66-T70 PolarHBondContact O-N 2.78Å; D66-T70 PolarHBondContact O-OG1 3.23Å; D66-T70 VanDerWaalsContact O-OG1 3.08Å; D66-N112 PolarHBondContact O-ND2 3.35Å; D66-N112 VanDerWaalsContact O-ND2 3.09Å
67	Y	98.7	Very high	92.9	Very high	3 Å²	3	67.3 Å²	67.3	1%	0.012	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-41.7	175.5	-61.2	-73.4	0	0	0	111.8	F62 T63 Y64 A71 F155 R158 V159 F212	F62-Y67 HydrophobicContact CB-CE1 4.47Å; F62-Y67 HydrophobicContact CB-CE2 3.74Å; T63-Y67 WeakPolarHBondContact O-CD2 3.3Å; T63-Y67 WeakPolarHBondContact O-CE2 3.33Å; Y64-Y67 WeakPolarHBondContact O-CB 3.41Å; Y64-Y67 PolarHBondContact O-N 3.24Å; Y64-Y67 VanDerWaalsContact O-N 3.12Å; Y67-A71 WeakPolarHBondContact O-CB 3.47Å; Y67-A71 PolarHBondContact O-N 3.14Å; Y67-F155 AromaticContact CD1-CD2 3.58Å; Y67-F155 HydrophobicContact CD1-CD2 3.58Å; Y67-F155 AromaticContact CD1-CE2 3.38Å; Y67-F155 HydrophobicContact CD1-CE2 3.38Å; Y67-F155 HydrophobicContact CD1-CG 4.23Å; Y67-F155 AromaticContact CD1-CZ 3.92Å; Y67-F155 HydrophobicContact CD1-CZ 3.92Å; Y67-F155 HydrophobicContact CE1-CB 4.29Å; Y67-F155 AromaticContact CE1-CD2 3.12Å; Y67-F155 HydrophobicContact CE1-CD2 3.12Å; Y67-F155 AromaticContact CE1-CE2 3.42Å; Y67-F155 HydrophobicContact CE1-CE2 3.42Å; Y67-F155 VanDerWaalsContact CE1-CE2 3.42Å; Y67-F155 AromaticContact CE1-CG 3.81Å; Y67-F155 HydrophobicContact CE1-CG 3.81Å; Y67-F155 HydrophobicContact CE1-CZ 4.32Å; Y67-F155 HydrophobicContact CG-CE2 4.16Å; Y67-F155 AromaticContact CZ-CD2 3.91Å; Y67-R158 HydrophobicContact CD1-CB 3.48Å; Y67-R158 VanDerWaalsContact CD1-CB 3.48Å; Y67-R158 HydrophobicContact CD1-CG 4.46Å; Y67-R158 HydrophobicContact CE1-CB 3.66Å; Y67-R158 HydrophobicContact CE1-CG 4.25Å; Y67-R158 HydrophobicContact CG-CB 3.97Å; Y67-R158 PolarHBondContact OH-NH1 2.85Å; Y67-V159 HydrophobicContact CD1-CG2 4.26Å; Y67-F212 AromaticContact CD2-CE2 3.77Å; Y67-F212 HydrophobicContact CD2-CE2 3.77Å; Y67-F212 AromaticContact CD2-CZ 3.9Å; Y67-F212 HydrophobicContact CD2-CZ 3.9Å; Y67-F212 HydrophobicContact CE2-CE2 4.18Å; Y67-F212 HydrophobicContact CG-CE2 4.35Å; Y67-F212 HydrophobicContact CG-CZ 4.02Å
68	Q	98.6	Very high	94.7	Very high	70 Å²	70	59.9 Å²	59.9	33%	0.327	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-47.8	-179.4	-178.8	175.2	7.7	0	0	111.3	Y64 E65 T70 A71 E72 L162	Y64-Q68 HydrophobicContact CD1-CB 4.3Å; Y64-Q68 HydrophobicContact CE1-CB 4.13Å; Y64-Q68 WeakPolarHBondContact O-CB 3.47Å; Y64-Q68 PolarHBondContact O-N 3.31Å; E65-Q68 PolarHBondContact O-N 3.17Å; Q68-T70 VanDerWaalsContact C-N 3.33Å; Q68-T70 PolarHBondContact O-N 3.3Å; Q68-A71 PolarHBondContact O-N 2.75Å; Q68-A71 VanDerWaalsContact O-N 3.15Å; Q68-E72 HydrophobicContact CG-CG 4.27Å; Q68-E72 VanDerWaalsContact CG-OE1 3.25Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.43Å; Q68-E72 PolarHBondContact NE2-OE1 3.39Å; Q68-E72 WeakPolarHBondContact O-CB 3.44Å; Q68-E72 WeakPolarHBondContact O-CG 3.46Å; Q68-E72 PolarHBondContact O-N 3.46Å; Q68-L162 HydrophobicContact CB-CD1 4.31Å
69	S	98.7	Very high	96.4	Very high	49 Å²	49	60.8 Å²	60.8	34%	0.343	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-40	178.9	57.7	0	0	0	0	112.2	E65 D66 W73	E65-S69 VanDerWaalsContact O-CB 3.28Å; E65-S69 WeakPolarHBondContact O-CB 3.46Å; E65-S69 PolarHBondContact O-N 3.48Å; E65-S69 PolarHBondContact O-OG 3.32Å; D66-S69 PolarHBondContact O-OG 2.68Å; D66-S69 VanDerWaalsContact O-OG 3.06Å; S69-W73 VanDerWaalsContact O-CB 3.31Å; S69-W73 WeakPolarHBondContact O-CB 3.43Å; S69-W73 PolarHBondContact O-N 3.39Å
70	T	98.8	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64	-43.6	173.2	-59.3	0	0	0	0	112	D66 Q68 W73 L74 I110 P111 N112 F113 F155 V159	D66-T70 PolarHBondContact O-N 2.78Å; D66-T70 PolarHBondContact O-OG1 3.23Å; D66-T70 VanDerWaalsContact O-OG1 3.08Å; Q68-T70 VanDerWaalsContact C-N 3.33Å; Q68-T70 PolarHBondContact O-N 3.3Å; T70-W73 PolarHBondContact O-N 2.84Å; T70-L74 HydrophobicContact CG2-CD1 4.31Å; T70-L74 WeakPolarHBondContact O-CG 3.43Å; T70-L74 PolarHBondContact O-N 3.08Å; T70-I110 HydrophobicContact CG2-CG2 3.56Å; T70-P111 VanDerWaalsContact CG2-O 3.31Å; T70-P111 WeakPolarHBondContact CG2-O 3.4Å; T70-P111 PolarHBondContact OG1-O 2.85Å; T70-N112 PolarHBondContact OG1-ND2 3.42Å; T70-F113 HydrophobicContact CG2-CD2 3.99Å; T70-F113 HydrophobicContact CG2-CE2 4.29Å; T70-F155 HydrophobicContact CG2-CE1 4.11Å; T70-F155 HydrophobicContact CG2-CZ 4.48Å; T70-V159 HydrophobicContact CG2-CG1 4.06Å; T70-V159 HydrophobicContact CG2-CG2 3.93Å
71	A	98.8	Very high	98.1	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.025	28%	0.276	C	S	.	.	H	α-helix	trans	-65.4	-43.3	178.9	0	0	0	0	0	112	Y67 Q68 L74 L75 V159 L162 L163	Y67-A71 WeakPolarHBondContact O-CB 3.47Å; Y67-A71 PolarHBondContact O-N 3.14Å; Q68-A71 PolarHBondContact O-N 2.75Å; Q68-A71 VanDerWaalsContact O-N 3.15Å; A71-L74 PolarHBondContact O-N 3.44Å; A71-L75 WeakPolarHBondContact O-CB 3.47Å; A71-L75 VanDerWaalsContact O-CG 3.27Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 2.95Å; A71-V159 HydrophobicContact CB-CG1 4.21Å; A71-L162 HydrophobicContact CB-CB 3.58Å; A71-L162 HydrophobicContact CB-CD1 4.29Å; A71-L163 HydrophobicContact CB-CD2 4.12Å; A71-L163 WeakPolarHBondContact O-CD2 3.49Å
72	E	98.8	Very high	98.4	Very high	105 Å²	105	52.2 Å²	52.2	49%	0.491	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-43	176.1	-74.4	172.9	-179.1	0	0	111.6	Q68 L74 L75 S76	Q68-E72 HydrophobicContact CG-CG 4.27Å; Q68-E72 VanDerWaalsContact CG-OE1 3.25Å; Q68-E72 WeakPolarHBondContact CG-OE1 3.43Å; Q68-E72 PolarHBondContact NE2-OE1 3.39Å; Q68-E72 WeakPolarHBondContact O-CB 3.44Å; Q68-E72 WeakPolarHBondContact O-CG 3.46Å; Q68-E72 PolarHBondContact O-N 3.46Å; E72-L74 PolarHBondContact O-N 3.04Å; E72-L75 PolarHBondContact O-N 2.77Å; E72-S76 WeakPolarHBondContact O-CB 3.42Å; E72-S76 PolarHBondContact O-N 3.37Å; E72-S76 PolarHBondContact O-OG 3.14Å
73	W	98.8	Very high	98.4	Very high	65 Å²	65	51.8 Å²	51.8	25%	0.246	26%	0.256	C	S	.	.	H	α-helix	trans	-58.5	-47.9	173.5	-174.5	95.1	0	0	0	110.9	S69 T70 L75 S76 H77 F105 D109 I110 P111	S69-W73 VanDerWaalsContact O-CB 3.31Å; S69-W73 WeakPolarHBondContact O-CB 3.43Å; S69-W73 PolarHBondContact O-N 3.39Å; T70-W73 PolarHBondContact O-N 2.84Å; W73-L75 PolarHBondContact O-N 2.94Å; W73-S76 PolarHBondContact O-N 2.67Å; W73-S76 PolarHBondContact O-OG 2.88Å; W73-H77 AromaticContact CD1-CE1 3.5Å; W73-H77 VanDerWaalsContact CD1-CE1 3.5Å; W73-H77 AromaticContact CD1-ND1 3.94Å; W73-H77 AromaticContact CD2-CE1 3.88Å; W73-H77 AromaticContact CD2-ND1 3.69Å; W73-H77 AromaticContact CE2-CE1 3.46Å; W73-H77 VanDerWaalsContact CE2-CE1 3.46Å; W73-H77 AromaticContact CE2-ND1 3.66Å; W73-H77 AromaticContact CE2-NE2 3.84Å; W73-H77 AromaticContact CG-CE1 3.9Å; W73-H77 AromaticContact CG-ND1 3.88Å; W73-H77 AromaticContact CZ2-NE2 4Å; W73-H77 AromaticContact NE1-CE1 3.21Å; W73-H77 PolarHBondContact NE1-CE1 2.93Å; W73-H77 AromaticContact NE1-ND1 3.81Å; W73-H77 AromaticContact NE1-NE2 3.71Å; W73-H77 PolarHBondContact O-N 3.41Å; W73-H77 PolarHBondContact O-ND1 2.84Å; W73-F105 AromaticContact CH2-CD1 3.84Å; W73-F105 HydrophobicContact CH2-CD1 3.84Å; W73-F105 HydrophobicContact CH2-CE1 4.11Å; W73-F105 AromaticContact CZ3-CD1 3.77Å; W73-F105 HydrophobicContact CZ3-CD1 3.77Å; W73-F105 HydrophobicContact CZ3-CE1 4Å; W73-D109 WeakPolarHBondContact CH2-O 3.45Å; W73-D109 WeakPolarHBondContact CZ2-O 3.43Å; W73-I110 HydrophobicContact CE3-CG2 4.46Å; W73-I110 HydrophobicContact CZ3-CB 4.39Å; W73-I110 HydrophobicContact CZ3-CG1 3.97Å; W73-I110 HydrophobicContact CZ3-CG2 4.49Å; W73-P111 HydrophobicContact CB-CG 4.1Å; W73-P111 VanDerWaalsContact CD2-CD 3.49Å; W73-P111 HydrophobicContact CD2-CG 4.01Å; W73-P111 HydrophobicContact CG-CG 3.71Å
74	L	98.8	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-47.4	176.8	-74.6	168.1	0	0	0	111.4	T70 A71 E72 S76 H77 T78 F105 I110 L125 F127 V159 L163	T70-L74 HydrophobicContact CG2-CD1 4.31Å; T70-L74 WeakPolarHBondContact O-CG 3.43Å; T70-L74 PolarHBondContact O-N 3.08Å; A71-L74 PolarHBondContact O-N 3.44Å; E72-L74 PolarHBondContact O-N 3.04Å; L74-S76 PolarHBondContact O-N 3.11Å; L74-H77 PolarHBondContact O-N 3.17Å; L74-T78 WeakPolarHBondContact O-CG2 3.27Å; L74-T78 PolarHBondContact O-N 3.43Å; L74-T78 VanDerWaalsContact O-N 3.09Å; L74-F105 HydrophobicContact CD2-CD2 4.46Å; L74-F105 HydrophobicContact CD2-CG 4.4Å; L74-I110 HydrophobicContact CD1-CG2 4.39Å; L74-I110 HydrophobicContact CD2-CD1 4.25Å; L74-I110 HydrophobicContact CD2-CG1 4.28Å; L74-I110 HydrophobicContact CD2-CG2 4.34Å; L74-I110 HydrophobicContact CG-CG2 4.35Å; L74-L125 HydrophobicContact CD1-CD2 3.96Å; L74-L125 HydrophobicContact CD2-CD2 4.12Å; L74-F127 HydrophobicContact CB-CZ 4.47Å; L74-F127 HydrophobicContact CD1-CZ 4.43Å; L74-F127 HydrophobicContact CD2-CE2 4.03Å; L74-F127 HydrophobicContact CD2-CZ 4.12Å; L74-V159 HydrophobicContact CD1-CG1 3.72Å; L74-L163 HydrophobicContact CB-CD2 3.98Å; L74-L163 HydrophobicContact CD1-CD1 4.09Å
75	L	98.6	Very high	98.5	Very high	48 Å²	48	46.6 Å²	46.6	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-62.5	-28.2	179.9	-71.1	169.1	0	0	0	113.7	A71 E72 W73 T78 R81 L163	A71-L75 WeakPolarHBondContact O-CB 3.47Å; A71-L75 VanDerWaalsContact O-CG 3.27Å; A71-L75 WeakPolarHBondContact O-CG 3.34Å; A71-L75 PolarHBondContact O-N 2.95Å; E72-L75 PolarHBondContact O-N 2.77Å; W73-L75 PolarHBondContact O-N 2.94Å; L75-T78 VanDerWaalsContact O-O 3.11Å; L75-R81 PolarHBondContact O-NH2 3.17Å; L75-L163 HydrophobicContact CD1-CD2 4.23Å; L75-L163 HydrophobicContact CD2-CD2 3.87Å; L75-L163 HydrophobicContact CG-CD2 3.62Å
76	S	98.6	Very high	98.4	Very high	89 Å²	89	42.2 Å²	42.2	62%	0.622	21%	0.208	S	C	*	.	H	α-helix	trans	-83.1	-15.2	175.9	77.7	0	0	0	0	113.4	E72 W73 L74	E72-S76 WeakPolarHBondContact O-CB 3.42Å; E72-S76 PolarHBondContact O-N 3.37Å; E72-S76 PolarHBondContact O-OG 3.14Å; W73-S76 PolarHBondContact O-N 2.67Å; W73-S76 PolarHBondContact O-OG 2.88Å; L74-S76 PolarHBondContact O-N 3.11Å
77	H	98.6	Very high	98.4	Very high	89 Å²	89	40.1 Å²	40.1	41%	0.412	20%	0.197	S	C	.	.	H	α-helix	trans	-107.7	-2	-179.2	-67.2	77.6	0	0	0	113.1	W73 L74 Q103 F105	W73-H77 AromaticContact CD1-CE1 3.5Å; W73-H77 VanDerWaalsContact CD1-CE1 3.5Å; W73-H77 AromaticContact CD1-ND1 3.94Å; W73-H77 AromaticContact CD2-CE1 3.88Å; W73-H77 AromaticContact CD2-ND1 3.69Å; W73-H77 AromaticContact CE2-CE1 3.46Å; W73-H77 VanDerWaalsContact CE2-CE1 3.46Å; W73-H77 AromaticContact CE2-ND1 3.66Å; W73-H77 AromaticContact CE2-NE2 3.84Å; W73-H77 AromaticContact CG-CE1 3.9Å; W73-H77 AromaticContact CG-ND1 3.88Å; W73-H77 AromaticContact CZ2-NE2 4Å; W73-H77 AromaticContact NE1-CE1 3.21Å; W73-H77 PolarHBondContact NE1-CE1 2.93Å; W73-H77 AromaticContact NE1-ND1 3.81Å; W73-H77 AromaticContact NE1-NE2 3.71Å; W73-H77 PolarHBondContact O-N 3.41Å; W73-H77 PolarHBondContact O-ND1 2.84Å; L74-H77 PolarHBondContact O-N 3.17Å; H77-Q103 PolarHBondContact O-NE2 3.07Å; H77-F105 HydrophobicContact CB-CE1 3.74Å; H77-F105 HydrophobicContact CB-CZ 3.99Å
78	T	98.4	Very high	98.1	Very high	4 Å²	4	40 Å²	40	3%	0.025	20%	0.196	C	C	.	.			trans	-141.2	144.4	174.7	-168.4	0	0	0	0	112.5	L74 L75 H80 R81 Q103 F127	L74-T78 WeakPolarHBondContact O-CG2 3.27Å; L74-T78 PolarHBondContact O-N 3.43Å; L74-T78 VanDerWaalsContact O-N 3.09Å; L75-T78 VanDerWaalsContact O-O 3.11Å; T78-H80 VanDerWaalsContact C-N 3.32Å; T78-H80 HydrophobicContact CG2-CB 4.32Å; T78-H80 PolarHBondContact OG1-CD2 2.79Å; T78-H80 VanDerWaalsContact OG1-CD2 3.22Å; T78-H80 PolarHBondContact OG1-N 3.21Å; T78-R81 PolarHBondContact O-NH1 2.94Å; T78-Q103 PolarHBondContact OG1-OE1 2.89Å; T78-F127 HydrophobicContact CG2-CD1 4.13Å; T78-F127 HydrophobicContact CG2-CE1 4.11Å; T78-F127 HydrophobicContact CG2-CG 4.46Å; T78-F127 HydrophobicContact CG2-CZ 4.44Å
79	E	98.1	Very high	97.6	Very high	172 Å²	172	36.8 Å²	36.8	80%	0.804	18%	0.182	S	C	*	.			trans	-81.6	-13.2	170	-63.5	-57.5	143.2	0	0	112.3
80	H	98.4	Very high	96.8	Very high	21 Å²	21	35 Å²	35	10%	0.097	17%	0.17	C	C	.	.			trans	-66.7	139.4	179	-66.4	-71.6	0	0	0	111.5	T78 Q101 F127 F129	T78-H80 VanDerWaalsContact C-N 3.32Å; T78-H80 HydrophobicContact CG2-CB 4.32Å; T78-H80 PolarHBondContact OG1-CD2 2.79Å; T78-H80 VanDerWaalsContact OG1-CD2 3.22Å; T78-H80 PolarHBondContact OG1-N 3.21Å; H80-Q101 PolarHBondContact CE1-O 2.74Å; H80-Q101 VanDerWaalsContact CE1-O 3.23Å; H80-Q101 PolarHBondContact NE2-O 2.82Å; H80-F127 HydrophobicContact CB-CB 3.97Å; H80-F127 HydrophobicContact CB-CD1 3.94Å; H80-F127 HydrophobicContact CB-CG 4.36Å; H80-F129 AromaticContact CE1-CE2 3.6Å; H80-F129 AromaticContact ND1-CE2 3.59Å
81	R	97.9	Very high	95.6	Very high	109 Å²	109	36.1 Å²	36.1	41%	0.411	18%	0.181	S	C	.	.			trans	-123.3	81.6	173.2	-63.4	-64.4	176.3	-93	4.2	108.5	L75 T78 Q83	L75-R81 PolarHBondContact O-NH2 3.17Å; T78-R81 PolarHBondContact O-NH1 2.94Å; R81-Q83 PolarHBondContact O-N 3Å
82	P	98	Very high	94.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.183	C	C	.	.			trans	-65.7	134.1	-169.4	29.4	-36.7	0	0	0	110.7	F127 V136 L163 V165 R342	P82-F127 HydrophobicContact CG-CD1 4.18Å; P82-F127 HydrophobicContact CG-CE1 3.94Å; P82-V136 HydrophobicContact CB-CB 3.85Å; P82-V136 HydrophobicContact CB-CG1 3.81Å; P82-V136 HydrophobicContact CG-CB 3.93Å; P82-V136 HydrophobicContact CG-CG1 3.82Å; P82-L163 HydrophobicContact CG-CB 4.36Å; P82-V165 HydrophobicContact CB-CG2 4.24Å; P82-V165 HydrophobicContact CG-CG2 4.02Å; P82-R342 PolarHBondContact O-NH2 2.68Å
83	Q	97.8	Very high	93.8	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	17%	0.167	C	C	.	.	S	Bend	trans	-86.5	-36	169.8	-174.7	-176.8	6	0	0	110.9	R81 A134 V165 D166 T167 P340 R342	R81-Q83 PolarHBondContact O-N 3Å; Q83-A134 PolarHBondContact N-O 3.48Å; Q83-V165 WeakPolarHBondContact O-CA 3.49Å; Q83-V165 WeakPolarHBondContact O-CG1 3.37Å; Q83-D166 VanDerWaalsContact CG-OD2 3.23Å; Q83-D166 WeakPolarHBondContact CG-OD2 3.26Å; Q83-D166 PolarHBondContact NE2-OD2 2.86Å; Q83-D166 PolarHBondContact O-N 3.28Å; Q83-T167 PolarHBondContact O-N 3.31Å; Q83-P340 PolarHBondContact NE2-O 3.13Å; Q83-R342 HydrophobicContact CG-CG 3.87Å; Q83-R342 VanDerWaalsContact NE2-N 3.1Å
84	V	98.1	Very high	93.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.4	-173.5	-173.8	0	0	0	0	109.7	V86 R133 A134 C135 V136 T167 V169 M336 I339	V84-V86 HydrophobicContact CG1-CG2 4.22Å; V84-R133 HydrophobicContact CB-CG 4.43Å; V84-R133 HydrophobicContact CG2-CG 3.59Å; V84-A134 PolarHBondContact N-O 3.48Å; V84-C135 CarbonylContact O-C 3.58Å; V84-C135 VanDerWaalsContact O-CA 3.23Å; V84-C135 WeakPolarHBondContact O-CA 3.49Å; V84-V136 PolarHBondContact O-N 3.42Å; V84-T167 CarbonylContact C-O 3.56Å; V84-T167 WeakPolarHBondContact CA-O 3.49Å; V84-T167 HydrophobicContact CG1-CG2 4.45Å; V84-V169 HydrophobicContact CG1-CG2 4.13Å; V84-M336 HydrophobicContact CB-SD 4.36Å; V84-M336 HydrophobicContact CG1-CE 4.15Å; V84-M336 HydrophobicContact CG1-SD 4.01Å; V84-M336 HydrophobicContact CG2-SD 4.38Å; V84-I339 HydrophobicContact CB-CD1 4.47Å; V84-I339 HydrophobicContact CG1-CD1 3.95Å; V84-I339 HydrophobicContact CG2-CD1 3.65Å; V84-I339 HydrophobicContact CG2-CG2 4.12Å
85	A	98.4	Very high	92.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.7	165.2	0	0	0	0	0	109.7	V136 F160 V165 T167 L168 V169	A85-V136 CarbonylContact C-O 3.52Å; A85-V136 VanDerWaalsContact CA-O 3.24Å; A85-V136 WeakPolarHBondContact CA-O 3.44Å; A85-V136 HydrophobicContact CB-CG1 3.81Å; A85-F160 HydrophobicContact CB-CB 4.15Å; A85-F160 HydrophobicContact CB-CD1 4.4Å; A85-F160 HydrophobicContact CB-CD2 3.45Å; A85-F160 VanDerWaalsContact CB-CD2 3.45Å; A85-F160 HydrophobicContact CB-CE2 3.94Å; A85-F160 HydrophobicContact CB-CG 3.74Å; A85-V165 HydrophobicContact CB-CG1 3.74Å; A85-V165 HydrophobicContact CB-CG2 4.22Å; A85-T167 PolarHBondContact N-O 3.47Å; A85-L168 HydrophobicContact CB-CD1 3.68Å; A85-L168 CarbonylContact O-C 3.59Å; A85-L168 WeakPolarHBondContact O-CA 3.49Å; A85-V169 PolarHBondContact O-N 3.02Å
86	V	97.8	Very high	92.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126	173.2	-170.7	0	0	0	0	109.5	V84 L95 V136 M137 M138 V169 T171 M336	V84-V86 HydrophobicContact CG1-CG2 4.22Å; V86-L95 HydrophobicContact CG1-CD2 3.91Å; V86-V136 PolarHBondContact N-O 3.13Å; V86-M137 HydrophobicContact CB-CE 4.39Å; V86-M137 HydrophobicContact CB-CG 3.98Å; V86-M137 HydrophobicContact CG2-CE 4Å; V86-M137 HydrophobicContact CG2-CG 4.29Å; V86-M137 CarbonylContact O-C 3.54Å; V86-M137 VanDerWaalsContact O-CA 3.26Å; V86-M137 WeakPolarHBondContact O-CA 3.46Å; V86-M138 PolarHBondContact O-N 2.84Å; V86-V169 CarbonylContact C-O 3.57Å; V86-V169 VanDerWaalsContact CA-O 3.3Å; V86-V169 WeakPolarHBondContact CA-O 3.23Å; V86-V169 HydrophobicContact CG1-CB 4.22Å; V86-V169 HydrophobicContact CG1-CG1 4.19Å; V86-V169 HydrophobicContact CG2-CB 4.2Å; V86-T171 HydrophobicContact CG1-CG2 4.31Å; V86-M336 HydrophobicContact CG2-CE 4.37Å
87	I	97.4	Very high	91.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	108.3	174.1	-55.2	-178.8	0	0	0	108.9	M138 R141 V157 F160 L168 V169 V170 T171 E281	I87-M138 HydrophobicContact CD1-SD 4.07Å; I87-M138 HydrophobicContact CG1-CG 4.48Å; I87-M138 HydrophobicContact CG1-SD 3.89Å; I87-M138 HydrophobicContact CG2-CB 4.28Å; I87-M138 HydrophobicContact CG2-SD 4.3Å; I87-R141 HydrophobicContact CG2-CB 3.72Å; I87-R141 VanDerWaalsContact CG2-NH2 3.33Å; I87-R141 PolarHBondContact O-NH2 3.37Å; I87-V157 HydrophobicContact CD1-CG2 4.27Å; I87-F160 HydrophobicContact CG1-CE2 4.48Å; I87-L168 HydrophobicContact CD1-CD1 3.96Å; I87-L168 HydrophobicContact CD1-CD2 4.41Å; I87-L168 HydrophobicContact CG1-CD1 3.94Å; I87-V169 PolarHBondContact N-O 2.91Å; I87-V170 HydrophobicContact CD1-CG1 4.32Å; I87-T171 PolarHBondContact O-N 3.48Å; I87-T171 PolarHBondContact O-OG1 2.86Å; I87-E281 HydrophobicContact CD1-CB 4.07Å; I87-E281 HydrophobicContact CD1-CG 3.91Å
88	C	93.7	Very high	91.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.7	-178.5	-56	0	0	0	0	110.8	L92 M138 T171	C88-L92 HydrophobicContact CB-CB 4.44Å; C88-M138 WeakPolarHBondContact CB-O 3.46Å; C88-M138 PolarHBondContact N-O 2.9Å; C88-T171 WeakPolarHBondContact CA-OG1 3.43Å
89	G	86.8	Confident	91.2	Very high	3 Å²	3	31 Å²	31	3%	0.031	18%	0.176	C	C	.	.			trans	-75.6	-176.7	172.3	0	0	0	0	0	114.6	G91 L92 T171	G89-G91 PolarHBondContact O-N 2.87Å; G89-L92 WeakPolarHBondContact O-CB 3.41Å; G89-L92 PolarHBondContact O-N 2.8Å; G89-T171 WeakPolarHBondContact CA-O 3.42Å; G89-T171 PolarHBondContact N-O 3.31Å; G89-T171 VanDerWaalsContact N-O 3.16Å; G89-T171 PolarHBondContact N-OG1 2.85Å; G89-T171 VanDerWaalsContact N-OG1 3.13Å
90	S	82.4	Confident	91.1	Very high	13 Å²	13	26.9 Å²	26.9	9%	0.091	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	130	179.3	-48.2	0	0	0	0	111.5	L92 H121	S90-L92 PolarHBondContact O-N 3.13Å; S90-H121 PolarHBondContact OG-NE2 3.28Å
91	G	74.1	Confident	91.1	Very high	22 Å²	22	32.6 Å²	32.6	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-4	-177.1	0	0	0	0	0	115.4	G89	G89-G91 PolarHBondContact O-N 2.87Å
92	L	79.6	Confident	91.1	Very high	12 Å²	12	30 Å²	30	6%	0.063	19%	0.192	C	C	.	.			trans	-108.2	3.8	-175.1	-53.1	-178.1	0	0	0	113.7	C88 G89 S90 G94 L95 T171 F295 L297 L328	C88-L92 HydrophobicContact CB-CB 4.44Å; G89-L92 WeakPolarHBondContact O-CB 3.41Å; G89-L92 PolarHBondContact O-N 2.8Å; S90-L92 PolarHBondContact O-N 3.13Å; L92-G94 PolarHBondContact O-N 2.93Å; L92-L95 PolarHBondContact O-N 3.24Å; L92-T171 WeakPolarHBondContact CD1-OG1 3.34Å; L92-F295 HydrophobicContact CD1-CE2 4.46Å; L92-L297 HydrophobicContact CD2-CD2 4.24Å; L92-L328 HydrophobicContact CD2-CD1 3.21Å; L92-L328 HydrophobicContact CD2-CG 4.43Å
93	G	80.3	Confident	91.1	Very high	14 Å²	14	33 Å²	33	14%	0.144	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.4	-20.2	178.8	0	0	0	0	0	114.3	L95 T96 Q139	G93-L95 PolarHBondContact O-N 3.32Å; G93-T96 PolarHBondContact O-N 3.45Å; G93-T96 PolarHBondContact O-OG1 3.35Å; G93-Q139 PolarHBondContact O-NE2 3.41Å
94	G	84.2	Confident	91.2	Very high	36 Å²	36	37 Å²	37	37%	0.371	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-60.6	-24.8	177.1	0	0	0	0	0	114	L92 T96 A97	L92-G94 PolarHBondContact O-N 2.93Å; G94-T96 PolarHBondContact O-N 3.07Å; G94-T96 VanDerWaalsContact O-N 3.11Å; G94-A97 VanDerWaalsContact O-CB 3.27Å; G94-A97 WeakPolarHBondContact O-CB 3.26Å; G94-A97 PolarHBondContact O-N 3.37Å
95	L	84.8	Confident	91.2	Very high	11 Å²	11	37.8 Å²	37.8	6%	0.058	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55	-34.6	179.1	-177	66.7	0	0	0	113.1	V86 L92 G93 A97 K98 L130 M137 E329 V332	V86-L95 HydrophobicContact CG1-CD2 3.91Å; L92-L95 PolarHBondContact O-N 3.24Å; G93-L95 PolarHBondContact O-N 3.32Å; L95-A97 PolarHBondContact O-N 2.98Å; L95-K98 PolarHBondContact O-N 3.06Å; L95-K98 VanDerWaalsContact O-N 3.13Å; L95-L130 HydrophobicContact CD1-CD2 4.31Å; L95-M137 HydrophobicContact CD2-CE 3.97Å; L95-M137 HydrophobicContact CD2-SD 4.15Å; L95-M137 HydrophobicContact CG-CE 4.02Å; L95-M137 HydrophobicContact CG-SD 4.06Å; L95-E329 HydrophobicContact CD1-CB 4.48Å; L95-E329 HydrophobicContact CD1-CG 4.2Å; L95-V332 HydrophobicContact CD1-CB 3.98Å; L95-V332 HydrophobicContact CD1-CG1 4.09Å; L95-V332 HydrophobicContact CD2-CB 4.31Å; L95-V332 HydrophobicContact CD2-CG1 3.8Å; L95-V332 HydrophobicContact CD2-CG2 4.4Å
96	T	90.9	Very high	91.1	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.08	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.8	-25.7	179.2	58.9	0	0	0	0	113.3	G93 G94 K98 L99 V126 M137 Q139	G93-T96 PolarHBondContact O-N 3.45Å; G93-T96 PolarHBondContact O-OG1 3.35Å; G94-T96 PolarHBondContact O-N 3.07Å; G94-T96 VanDerWaalsContact O-N 3.11Å; T96-K98 PolarHBondContact O-N 2.72Å; T96-K98 VanDerWaalsContact O-N 3.16Å; T96-L99 WeakPolarHBondContact O-CB 3.43Å; T96-L99 PolarHBondContact O-N 3.4Å; T96-L99 VanDerWaalsContact O-N 3.12Å; T96-V126 HydrophobicContact CG2-CB 4.26Å; T96-V126 HydrophobicContact CG2-CG2 4.04Å; T96-M137 HydrophobicContact CG2-CB 3.77Å; T96-M137 HydrophobicContact CG2-SD 3.97Å; T96-Q139 HydrophobicContact CG2-CB 3.97Å; T96-Q139 HydrophobicContact CG2-CG 4.03Å; T96-Q139 PolarHBondContact OG1-NE2 3.45Å
97	A	90.3	Very high	91.1	Very high	84 Å²	84	41 Å²	41	69%	0.694	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-68.1	-11.8	177.9	0	0	0	0	0	113.2	G94 L95	G94-A97 VanDerWaalsContact O-CB 3.27Å; G94-A97 WeakPolarHBondContact O-CB 3.26Å; G94-A97 PolarHBondContact O-N 3.37Å; L95-A97 PolarHBondContact O-N 2.98Å
98	K	91.1	Very high	91.1	Very high	112 Å²	112	44.6 Å²	44.6	49%	0.487	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-92.4	-5.9	175.7	-58.8	-57.4	-177.1	-177.6	0	113.7	L95 T96 T100 L130 E329	L95-K98 PolarHBondContact O-N 3.06Å; L95-K98 VanDerWaalsContact O-N 3.13Å; T96-K98 PolarHBondContact O-N 2.72Å; T96-K98 VanDerWaalsContact O-N 3.16Å; K98-T100 PolarHBondContact O-N 3.42Å; K98-L130 HydrophobicContact CB-CD1 3.81Å; K98-E329 WeakPolarHBondContact CE-OE2 3.22Å; K98-E329 HydrophobicContact CG-CB 4.45Å; K98-E329 HydrophobicContact CG-CG 4.23Å; K98-E329 IonicContact NZ-OE2 3.53Å; K98-E329 PolarHBondContact NZ-OE2 3.48Å
99	L	95.2	Very high	91.2	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.073	29%	0.294	C	S	.	.			trans	-66.8	128.8	174.7	-72.1	171.5	0	0	0	109.9	T96 A102 V126 L130 C135 M137	T96-L99 WeakPolarHBondContact O-CB 3.43Å; T96-L99 PolarHBondContact O-N 3.4Å; T96-L99 VanDerWaalsContact O-N 3.12Å; L99-A102 HydrophobicContact CB-CB 4.06Å; L99-V126 HydrophobicContact CD1-CB 3.96Å; L99-V126 HydrophobicContact CD1-CG1 3.53Å; L99-L130 HydrophobicContact CD2-CB 3.87Å; L99-C135 HydrophobicContact CD2-CB 4.06Å; L99-M137 HydrophobicContact CD1-CB 4.38Å; L99-M137 HydrophobicContact CD1-CE 4.48Å; L99-M137 HydrophobicContact CD1-CG 3.92Å; L99-M137 HydrophobicContact CD1-SD 3.75Å; L99-M137 HydrophobicContact CD2-CE 3.88Å; L99-M137 HydrophobicContact CD2-SD 4.23Å; L99-M137 HydrophobicContact CG-CE 4.2Å; L99-M137 HydrophobicContact CG-SD 3.97Å
100	T	96.9	Very high	91.8	Very high	85 Å²	85	49.4 Å²	49.4	52%	0.521	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	149.8	168.3	58.6	0	0	0	0	109.3	K98 A102 G128 F129	K98-T100 PolarHBondContact O-N 3.42Å; T100-A102 PolarHBondContact O-N 2.93Å; T100-G128 WeakPolarHBondContact O-CA 3.48Å; T100-F129 PolarHBondContact N-O 2.95Å; T100-F129 PolarHBondContact O-N 3.38Å; T100-F129 WeakPolarHBondContact OG1-CB 3.25Å; T100-F129 PolarHBondContact OG1-O 3.3Å; T100-F129 VanDerWaalsContact OG1-O 3.06Å
101	Q	97.7	Very high	92.5	Very high	142 Å²	142	50.9 Å²	50.9	66%	0.664	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.1	43.6	-172.7	-51.3	177.4	31.8	0	0	111.5	H80 Q103 F129	H80-Q101 PolarHBondContact CE1-O 2.74Å; H80-Q101 VanDerWaalsContact CE1-O 3.23Å; H80-Q101 PolarHBondContact NE2-O 2.82Å; Q101-Q103 PolarHBondContact O-N 3.06Å; Q101-F129 HydrophobicContact CB-CD2 4.13Å; Q101-F129 HydrophobicContact CB-CE2 4.41Å; Q101-F129 HydrophobicContact CG-CD2 4.37Å
102	A	98.1	Very high	93.6	Very high	55 Å²	55	53 Å²	53	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	131.6	-174.2	0	0	0	0	0	111.3	L99 T100 V126 F127	L99-A102 HydrophobicContact CB-CB 4.06Å; T100-A102 PolarHBondContact O-N 2.93Å; A102-V126 HydrophobicContact CB-CG1 4.16Å; A102-F127 CarbonylContact C-O 3.57Å; A102-F127 WeakPolarHBondContact CA-O 3.47Å
103	Q	98.5	Very high	94.3	Very high	63 Å²	63	53.3 Å²	53.3	29%	0.294	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.5	168.7	-172.9	178.8	0.5	0	0	109.1	H77 T78 Q101 F105 V126 F127	H77-Q103 PolarHBondContact O-NE2 3.07Å; T78-Q103 PolarHBondContact OG1-OE1 2.89Å; Q101-Q103 PolarHBondContact O-N 3.06Å; Q103-F105 HydrophobicContact CG-CE2 3.87Å; Q103-F105 HydrophobicContact CG-CZ 4.2Å; Q103-F105 VanDerWaalsContact NE2-CZ 3.29Å; Q103-V126 CarbonylContact O-C 3.58Å; Q103-V126 WeakPolarHBondContact O-CA 3.37Å; Q103-F127 HydrophobicContact CB-CB 4.46Å; Q103-F127 PolarHBondContact N-O 3.03Å; Q103-F127 PolarHBondContact O-N 2.99Å
104	I	98.4	Very high	94.9	Very high	97 Å²	97	53 Å²	53	50%	0.497	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.2	-171.9	-60.5	168.1	0	0	0	109.5	K124 V126	I104-K124 HydrophobicContact CG2-CB 4.18Å; I104-K124 HydrophobicContact CG2-CD 3.98Å; I104-K124 HydrophobicContact CG2-CG 4.25Å; I104-V126 HydrophobicContact CG1-CG1 3.91Å; I104-V126 HydrophobicContact CG1-CG2 4.19Å
105	F	98.3	Very high	95.2	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.075	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129	168.8	-62.4	-92.7	0	0	0	109	W73 L74 H77 Q103 I110 K124 L125 F127	W73-F105 AromaticContact CH2-CD1 3.84Å; W73-F105 HydrophobicContact CH2-CD1 3.84Å; W73-F105 HydrophobicContact CH2-CE1 4.11Å; W73-F105 AromaticContact CZ3-CD1 3.77Å; W73-F105 HydrophobicContact CZ3-CD1 3.77Å; W73-F105 HydrophobicContact CZ3-CE1 4Å; L74-F105 HydrophobicContact CD2-CD2 4.46Å; L74-F105 HydrophobicContact CD2-CG 4.4Å; H77-F105 HydrophobicContact CB-CE1 3.74Å; H77-F105 HydrophobicContact CB-CZ 3.99Å; Q103-F105 HydrophobicContact CG-CE2 3.87Å; Q103-F105 HydrophobicContact CG-CZ 4.2Å; Q103-F105 VanDerWaalsContact NE2-CZ 3.29Å; F105-I110 HydrophobicContact CB-CD1 3.89Å; F105-I110 HydrophobicContact CB-CG1 4.04Å; F105-K124 CarbonylContact O-C 3.55Å; F105-K124 WeakPolarHBondContact O-CA 3.49Å; F105-L125 HydrophobicContact CB-CB 4.39Å; F105-L125 PolarHBondContact N-O 3.34Å; F105-L125 PolarHBondContact O-N 3.05Å; F105-F127 AromaticContact CD2-CD2 3.68Å; F105-F127 HydrophobicContact CD2-CD2 3.68Å; F105-F127 AromaticContact CD2-CE2 3.71Å; F105-F127 HydrophobicContact CD2-CE2 3.71Å; F105-F127 AromaticContact CE2-CD2 3.62Å; F105-F127 HydrophobicContact CE2-CD2 3.62Å; F105-F127 AromaticContact CE2-CE2 3.78Å; F105-F127 HydrophobicContact CE2-CE2 3.78Å
106	E	97.7	Very high	95.1	Very high	64 Å²	64	57.7 Å²	57.7	30%	0.299	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.7	168.5	-57.3	-64.8	157.3	0	0	108.6	S108 D109 K124	E106-S108 PolarHBondContact O-N 3.49Å; E106-S108 VanDerWaalsContact O-N 3.13Å; E106-D109 PolarHBondContact O-N 2.84Å; E106-K124 VanDerWaalsContact OE1-CE 3.31Å; E106-K124 WeakPolarHBondContact OE1-CE 3.2Å; E106-K124 IonicContact OE1-NZ 2.8Å; E106-K124 PolarHBondContact OE1-NZ 3.31Å; E106-K124 VanDerWaalsContact OE2-CG 3.27Å; E106-K124 WeakPolarHBondContact OE2-CG 3.22Å; E106-K124 IonicContact OE2-NZ 3.85Å
107	Y	97.4	Very high	94.7	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.016	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-58.1	-28.8	178.1	-67.2	-15.9	0	0	0	112.5	D109 I110 F113 P114 G123 K124 L125 M138 G140 F142	Y107-D109 PolarHBondContact O-N 2.87Å; Y107-I110 HydrophobicContact CD1-CD1 4.25Å; Y107-I110 PolarHBondContact O-N 3.24Å; Y107-F113 AromaticContact CD1-CD1 3.62Å; Y107-F113 HydrophobicContact CD1-CD1 3.62Å; Y107-F113 AromaticContact CD1-CE1 3.67Å; Y107-F113 HydrophobicContact CD1-CE1 3.67Å; Y107-F113 HydrophobicContact CD2-CD1 4.47Å; Y107-F113 HydrophobicContact CE1-CD1 4.15Å; Y107-F113 AromaticContact CE1-CE1 3.72Å; Y107-F113 HydrophobicContact CE1-CE1 3.72Å; Y107-F113 AromaticContact CG-CD1 3.82Å; Y107-F113 HydrophobicContact CG-CD1 3.82Å; Y107-F113 HydrophobicContact CG-CE1 4.24Å; Y107-P114 WeakPolarHBondContact CB-O 3.38Å; Y107-G123 WeakPolarHBondContact CB-O 3.44Å; Y107-G123 WeakPolarHBondContact CD1-O 3.45Å; Y107-G123 VanDerWaalsContact CE2-CA 3.49Å; Y107-G123 VanDerWaalsContact CG-C 3.45Å; Y107-G123 PolarHBondContact N-O 2.92Å; Y107-K124 WeakPolarHBondContact CE1-O 3.49Å; Y107-K124 PolarHBondContact OH-O 2.87Å; Y107-L125 HydrophobicContact CD1-CB 4.25Å; Y107-L125 HydrophobicContact CE1-CB 3.88Å; Y107-L125 HydrophobicContact CE1-CD1 4.37Å; Y107-L125 VanDerWaalsContact CE1-N 3.34Å; Y107-M138 WeakPolarHBondContact OH-CA 3.4Å; Y107-M138 VanDerWaalsContact OH-CB 3.23Å; Y107-M138 WeakPolarHBondContact OH-CB 3.44Å; Y107-G140 WeakPolarHBondContact CE2-O 3.38Å; Y107-G140 PolarHBondContact OH-O 2.98Å; Y107-F142 AromaticContact CD2-CE1 3.66Å; Y107-F142 HydrophobicContact CD2-CE1 3.66Å; Y107-F142 AromaticContact CD2-CZ 3.6Å; Y107-F142 HydrophobicContact CD2-CZ 3.6Å; Y107-F142 AromaticContact CE2-CE1 3.72Å; Y107-F142 HydrophobicContact CE2-CE1 3.72Å; Y107-F142 AromaticContact CE2-CZ 3.6Å; Y107-F142 HydrophobicContact CE2-CZ 3.6Å; Y107-F142 HydrophobicContact CG-CZ 4.37Å
108	S	96.4	Very high	94.2	Very high	76 Å²	76	58.8 Å²	58.8	53%	0.531	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-62.2	-25.5	176.2	54.3	0	0	0	0	114.2	E106	E106-S108 PolarHBondContact O-N 3.49Å; E106-S108 VanDerWaalsContact O-N 3.13Å
109	D	97.1	Very high	93.3	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-93.7	-13.8	-174.3	-55.8	-17.6	0	0	0	111.4	W73 E106 Y107	W73-D109 WeakPolarHBondContact CH2-O 3.45Å; W73-D109 WeakPolarHBondContact CZ2-O 3.43Å; E106-D109 PolarHBondContact O-N 2.84Å; Y107-D109 PolarHBondContact O-N 2.87Å
110	I	98.3	Very high	92.1	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.036	35%	0.35	C	S	.	.	S	Bend	trans	-89.2	124.4	-177.5	-55	170.6	0	0	0	108.7	T70 W73 L74 F105 Y107 N112 F113 L125	T70-I110 HydrophobicContact CG2-CG2 3.56Å; W73-I110 HydrophobicContact CE3-CG2 4.46Å; W73-I110 HydrophobicContact CZ3-CB 4.39Å; W73-I110 HydrophobicContact CZ3-CG1 3.97Å; W73-I110 HydrophobicContact CZ3-CG2 4.49Å; L74-I110 HydrophobicContact CD1-CG2 4.39Å; L74-I110 HydrophobicContact CD2-CD1 4.25Å; L74-I110 HydrophobicContact CD2-CG1 4.28Å; L74-I110 HydrophobicContact CD2-CG2 4.34Å; L74-I110 HydrophobicContact CG-CG2 4.35Å; F105-I110 HydrophobicContact CB-CD1 3.89Å; F105-I110 HydrophobicContact CB-CG1 4.04Å; Y107-I110 HydrophobicContact CD1-CD1 4.25Å; Y107-I110 PolarHBondContact O-N 3.24Å; I110-N112 PolarHBondContact O-N 3.04Å; I110-F113 HydrophobicContact CB-CB 3.78Å; I110-F113 HydrophobicContact CB-CD2 4.15Å; I110-F113 HydrophobicContact CB-CG 4Å; I110-F113 HydrophobicContact CD1-CD1 4.29Å; I110-F113 HydrophobicContact CD1-CE1 4.43Å; I110-F113 HydrophobicContact CD1-CG 4.33Å; I110-F113 HydrophobicContact CG2-CB 3.93Å; I110-F113 HydrophobicContact CG2-CD2 3.46Å; I110-F113 VanDerWaalsContact CG2-CD2 3.46Å; I110-F113 HydrophobicContact CG2-CE2 4.1Å; I110-F113 HydrophobicContact CG2-CG 3.84Å; I110-F113 WeakPolarHBondContact O-CB 3.12Å; I110-F113 PolarHBondContact O-N 3.3Å; I110-L125 HydrophobicContact CD1-CB 3.8Å; I110-L125 HydrophobicContact CD1-CD2 3.88Å
111	P	97.3	Very high	91.3	Very high	45 Å²	45	58.6 Å²	58.6	29%	0.292	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	139.6	178.1	-25.7	34.1	0	0	0	112.3	T70 W73 F113	T70-P111 VanDerWaalsContact CG2-O 3.31Å; T70-P111 WeakPolarHBondContact CG2-O 3.4Å; T70-P111 PolarHBondContact OG1-O 2.85Å; W73-P111 HydrophobicContact CB-CG 4.1Å; W73-P111 VanDerWaalsContact CD2-CD 3.49Å; W73-P111 HydrophobicContact CD2-CG 4.01Å; W73-P111 HydrophobicContact CG-CG 3.71Å; P111-F113 PolarHBondContact O-N 2.91Å
112	N	96.8	Very high	90.7	Very high	67 Å²	67	54.1 Å²	54.1	36%	0.358	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	-4	178.3	-50.1	-43.3	0	0	0	116	F62 D66 T70 I110 F155	F62-N112 HydrophobicContact CE1-CB 4.41Å; D66-N112 PolarHBondContact O-ND2 3.35Å; D66-N112 VanDerWaalsContact O-ND2 3.09Å; T70-N112 PolarHBondContact OG1-ND2 3.42Å; I110-N112 PolarHBondContact O-N 3.04Å; N112-F155 HydrophobicContact CB-CE1 4.15Å; N112-F155 HydrophobicContact CB-CE2 4.06Å; N112-F155 HydrophobicContact CB-CZ 3.56Å
113	F	95.3	Very high	90.4	Very high	17 Å²	17	52 Å²	52	8%	0.075	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-72.7	136.7	-173.9	-125.1	-108.2	0	0	0	111.5	T70 Y107 I110 P111 L125 F142 F155 P156 V159	T70-F113 HydrophobicContact CG2-CD2 3.99Å; T70-F113 HydrophobicContact CG2-CE2 4.29Å; Y107-F113 AromaticContact CD1-CD1 3.62Å; Y107-F113 HydrophobicContact CD1-CD1 3.62Å; Y107-F113 AromaticContact CD1-CE1 3.67Å; Y107-F113 HydrophobicContact CD1-CE1 3.67Å; Y107-F113 HydrophobicContact CD2-CD1 4.47Å; Y107-F113 HydrophobicContact CE1-CD1 4.15Å; Y107-F113 AromaticContact CE1-CE1 3.72Å; Y107-F113 HydrophobicContact CE1-CE1 3.72Å; Y107-F113 AromaticContact CG-CD1 3.82Å; Y107-F113 HydrophobicContact CG-CD1 3.82Å; Y107-F113 HydrophobicContact CG-CE1 4.24Å; I110-F113 HydrophobicContact CB-CB 3.78Å; I110-F113 HydrophobicContact CB-CD2 4.15Å; I110-F113 HydrophobicContact CB-CG 4Å; I110-F113 HydrophobicContact CD1-CD1 4.29Å; I110-F113 HydrophobicContact CD1-CE1 4.43Å; I110-F113 HydrophobicContact CD1-CG 4.33Å; I110-F113 HydrophobicContact CG2-CB 3.93Å; I110-F113 HydrophobicContact CG2-CD2 3.46Å; I110-F113 VanDerWaalsContact CG2-CD2 3.46Å; I110-F113 HydrophobicContact CG2-CE2 4.1Å; I110-F113 HydrophobicContact CG2-CG 3.84Å; I110-F113 WeakPolarHBondContact O-CB 3.12Å; I110-F113 PolarHBondContact O-N 3.3Å; P111-F113 PolarHBondContact O-N 2.91Å; F113-L125 HydrophobicContact CZ-CD2 4.21Å; F113-F142 HydrophobicContact CD1-CZ 4.18Å; F113-F142 HydrophobicContact CE1-CZ 4.39Å; F113-F155 HydrophobicContact CD2-CD1 4.02Å; F113-F155 AromaticContact CD2-CE1 3.84Å; F113-F155 HydrophobicContact CD2-CE1 3.84Å; F113-F155 HydrophobicContact CE2-CD1 4.25Å; F113-F155 HydrophobicContact CE2-CE1 4.25Å; F113-P156 HydrophobicContact CE1-CB 4.28Å; F113-P156 HydrophobicContact CE1-CG 3.83Å; F113-P156 HydrophobicContact CE2-CB 4.28Å; F113-P156 HydrophobicContact CE2-CG 4.25Å; F113-P156 HydrophobicContact CZ-CB 3.65Å; F113-P156 HydrophobicContact CZ-CG 3.63Å; F113-V159 HydrophobicContact CE2-CG2 4.46Å
114	P	92.7	Very high	90.3	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.058	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-67.2	160.6	172.8	-13.6	26.7	0	0	0	111.9	Y107 F142 K152	Y107-P114 WeakPolarHBondContact CB-O 3.38Å; P114-F142 HydrophobicContact CB-CD1 3.94Å; P114-F142 HydrophobicContact CB-CD2 3.97Å; P114-F142 HydrophobicContact CB-CE1 3.78Å; P114-F142 HydrophobicContact CB-CE2 3.78Å; P114-F142 HydrophobicContact CB-CG 4.05Å; P114-F142 HydrophobicContact CB-CZ 3.69Å; P114-F142 HydrophobicContact CG-CD2 3.86Å; P114-F142 HydrophobicContact CG-CE2 3.61Å; P114-F142 HydrophobicContact CG-CG 4.41Å; P114-F142 HydrophobicContact CG-CZ 3.99Å; P114-F142 VanDerWaalsContact O-CE1 3.3Å; P114-F142 WeakPolarHBondContact O-CE1 3.39Å; P114-F142 WeakPolarHBondContact O-CZ 3.36Å; P114-K152 HydrophobicContact CG-CB 4.22Å; P114-K152 HydrophobicContact CG-CG 4.5Å; P114-K152 WeakPolarHBondContact CG-O 3.38Å
115	Q	89.8	Confident	90.3	Very high	117 Å²	117	47 Å²	47	55%	0.547	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-100.6	147.6	175.9	-64.8	-174.2	-7.5	0	0	110.7	Y148	Q115-Y148 WeakPolarHBondContact O-CE2 3.31Å; Q115-Y148 PolarHBondContact O-OH 3.2Å
116	S	82.3	Confident	90.3	Very high	28 Å²	28	46.4 Å²	46.4	20%	0.196	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-88.8	131.1	173.6	-69.1	0	0	0	0	110.3
117	T	84.1	Confident	90.4	Very high	96 Å²	96	43.4 Å²	43.4	59%	0.589	26%	0.256	S	S	*	.			trans	-114.6	-10.2	179.9	57.5	0	0	0	0	113.6
118	V	79.7	Confident	90.4	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.145	26%	0.256	C	S	.	.	S	Bend	trans	-84.5	138.2	-178.4	169.8	0	0	0	0	111.9	G120 H121 Y145 E146	V118-G120 PolarHBondContact O-N 2.7Å; V118-H121 WeakPolarHBondContact O-CB 3.41Å; V118-H121 PolarHBondContact O-N 3.4Å; V118-H121 VanDerWaalsContact O-N 3.14Å; V118-Y145 HydrophobicContact CG2-CE2 3.64Å; V118-E146 HydrophobicContact CG2-CG 3.76Å; V118-E146 WeakPolarHBondContact CG2-OE1 3.37Å
119	Q	72.1	Confident	90.4	Very high	140 Å²	140	42.3 Å²	42.3	65%	0.654	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	135.3	174.3	-174.1	177.3	-10.3	0	0	111.2	H121	Q119-H121 VanDerWaalsContact C-N 3.33Å
120	G	69.9	Low	90.2	Very high	51 Å²	51	37.8 Å²	37.8	53%	0.526	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-2.2	-176.4	0	0	0	0	0	114.5	V118	V118-G120 PolarHBondContact O-N 2.7Å
121	H	79.5	Confident	89.9	Confident	15 Å²	15	40.8 Å²	40.8	7%	0.069	23%	0.234	C	C	.	.			trans	-102.9	104.8	172	-71.4	-133.5	0	0	0	108.5	S90 V118 Q119 G123 G140 R141 H143	S90-H121 PolarHBondContact OG-NE2 3.28Å; V118-H121 WeakPolarHBondContact O-CB 3.41Å; V118-H121 PolarHBondContact O-N 3.4Å; V118-H121 VanDerWaalsContact O-N 3.14Å; Q119-H121 VanDerWaalsContact C-N 3.33Å; H121-G123 PolarHBondContact O-N 2.91Å; H121-G140 WeakPolarHBondContact ND1-CA 3.4Å; H121-R141 PolarHBondContact CE1-N 2.81Å; H121-R141 PolarHBondContact ND1-N 2.82Å; H121-R141 PolarHBondContact ND1-O 2.83Å; H121-H143 AromaticContact CE1-CE1 3.26Å; H121-H143 PolarHBondContact CE1-CE1 3.44Å; H121-H143 AromaticContact ND1-CE1 3.95Å; H121-H143 AromaticContact NE2-CE1 3.85Å
122	A	84.3	Confident	89.5	Confident	48 Å²	48	41.9 Å²	41.9	40%	0.397	25%	0.254	S	S	.	.			trans	-68.7	-21.5	-172.7	0	0	0	0	0	113.3	K124 Q139	A122-K124 HydrophobicContact CB-CD 4.22Å; A122-K124 HydrophobicContact CB-CG 4.34Å; A122-Q139 HydrophobicContact CB-CB 4.41Å; A122-Q139 HydrophobicContact CB-CG 4Å; A122-Q139 PolarHBondContact N-O 2.94Å; A122-Q139 VanDerWaalsContact N-O 3.15Å
123	G	92.8	Very high	89.4	Confident	10 Å²	10	40.8 Å²	40.8	10%	0.103	24%	0.244	C	C	.	.			trans	77.7	37.5	177.5	0	0	0	0	0	113.1	Y107 H121 Q139	Y107-G123 WeakPolarHBondContact CB-O 3.44Å; Y107-G123 WeakPolarHBondContact CD1-O 3.45Å; Y107-G123 VanDerWaalsContact CE2-CA 3.49Å; Y107-G123 VanDerWaalsContact CG-C 3.45Å; Y107-G123 PolarHBondContact N-O 2.92Å; H121-G123 PolarHBondContact O-N 2.91Å; G123-Q139 PolarHBondContact N-O 2.64Å
124	K	96.3	Very high	89.5	Confident	57 Å²	57	40.8 Å²	40.8	25%	0.248	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.6	-172.5	-61.5	174.9	-167.9	-120.8	0	112.4	I104 F105 E106 Y107 A122 V126 Q139	I104-K124 HydrophobicContact CG2-CB 4.18Å; I104-K124 HydrophobicContact CG2-CD 3.98Å; I104-K124 HydrophobicContact CG2-CG 4.25Å; F105-K124 CarbonylContact O-C 3.55Å; F105-K124 WeakPolarHBondContact O-CA 3.49Å; E106-K124 VanDerWaalsContact OE1-CE 3.31Å; E106-K124 WeakPolarHBondContact OE1-CE 3.2Å; E106-K124 IonicContact OE1-NZ 2.8Å; E106-K124 PolarHBondContact OE1-NZ 3.31Å; E106-K124 VanDerWaalsContact OE2-CG 3.27Å; E106-K124 WeakPolarHBondContact OE2-CG 3.22Å; E106-K124 IonicContact OE2-NZ 3.85Å; Y107-K124 WeakPolarHBondContact CE1-O 3.49Å; Y107-K124 PolarHBondContact OH-O 2.87Å; A122-K124 HydrophobicContact CB-CD 4.22Å; A122-K124 HydrophobicContact CB-CG 4.34Å; K124-V126 HydrophobicContact CB-CG2 4.29Å; K124-Q139 HydrophobicContact CB-CB 4.17Å; K124-Q139 PolarHBondContact O-N 3.2Å
125	L	98.3	Very high	89.7	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	118.1	168.3	-160.4	65.4	0	0	0	109	L74 F105 Y107 I110 F113 F127 V136 M137 M138 F160	L74-L125 HydrophobicContact CD1-CD2 3.96Å; L74-L125 HydrophobicContact CD2-CD2 4.12Å; F105-L125 HydrophobicContact CB-CB 4.39Å; F105-L125 PolarHBondContact N-O 3.34Å; F105-L125 PolarHBondContact O-N 3.05Å; Y107-L125 HydrophobicContact CD1-CB 4.25Å; Y107-L125 HydrophobicContact CE1-CB 3.88Å; Y107-L125 HydrophobicContact CE1-CD1 4.37Å; Y107-L125 VanDerWaalsContact CE1-N 3.34Å; I110-L125 HydrophobicContact CD1-CB 3.8Å; I110-L125 HydrophobicContact CD1-CD2 3.88Å; F113-L125 HydrophobicContact CZ-CD2 4.21Å; L125-F127 HydrophobicContact CD2-CE2 3.74Å; L125-F127 HydrophobicContact CD2-CZ 4.02Å; L125-F127 HydrophobicContact CG-CE2 3.96Å; L125-V136 HydrophobicContact CD1-CG2 3.67Å; L125-V136 HydrophobicContact CD2-CG2 4.04Å; L125-V136 HydrophobicContact CG-CG2 3.65Å; L125-M137 WeakPolarHBondContact CA-O 3.16Å; L125-M138 HydrophobicContact CD1-CG 3.7Å; L125-F160 HydrophobicContact CD1-CE1 3.91Å; L125-F160 HydrophobicContact CD1-CZ 3.97Å; L125-F160 HydrophobicContact CD2-CE1 4.45Å
126	V	98.5	Very high	90.1	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112.7	-173.5	-166.6	0	0	0	0	110.2	T96 L99 A102 Q103 I104 K124 V136 M137	T96-V126 HydrophobicContact CG2-CB 4.26Å; T96-V126 HydrophobicContact CG2-CG2 4.04Å; L99-V126 HydrophobicContact CD1-CB 3.96Å; L99-V126 HydrophobicContact CD1-CG1 3.53Å; A102-V126 HydrophobicContact CB-CG1 4.16Å; Q103-V126 CarbonylContact O-C 3.58Å; Q103-V126 WeakPolarHBondContact O-CA 3.37Å; I104-V126 HydrophobicContact CG1-CG1 3.91Å; I104-V126 HydrophobicContact CG1-CG2 4.19Å; K124-V126 HydrophobicContact CB-CG2 4.29Å; V126-V136 CarbonylContact O-C 3.56Å; V126-V136 WeakPolarHBondContact O-CA 3.26Å; V126-M137 PolarHBondContact N-O 3.27Å; V126-M137 PolarHBondContact O-N 3.24Å
127	F	98.8	Very high	90.9	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	151.3	171.4	-66.7	-103.1	0	0	0	109.7	L74 T78 H80 P82 A102 Q103 F105 L125 C135 V136 L163	L74-F127 HydrophobicContact CB-CZ 4.47Å; L74-F127 HydrophobicContact CD1-CZ 4.43Å; L74-F127 HydrophobicContact CD2-CE2 4.03Å; L74-F127 HydrophobicContact CD2-CZ 4.12Å; T78-F127 HydrophobicContact CG2-CD1 4.13Å; T78-F127 HydrophobicContact CG2-CE1 4.11Å; T78-F127 HydrophobicContact CG2-CG 4.46Å; T78-F127 HydrophobicContact CG2-CZ 4.44Å; H80-F127 HydrophobicContact CB-CB 3.97Å; H80-F127 HydrophobicContact CB-CD1 3.94Å; H80-F127 HydrophobicContact CB-CG 4.36Å; P82-F127 HydrophobicContact CG-CD1 4.18Å; P82-F127 HydrophobicContact CG-CE1 3.94Å; A102-F127 CarbonylContact C-O 3.57Å; A102-F127 WeakPolarHBondContact CA-O 3.47Å; Q103-F127 HydrophobicContact CB-CB 4.46Å; Q103-F127 PolarHBondContact N-O 3.03Å; Q103-F127 PolarHBondContact O-N 2.99Å; F105-F127 AromaticContact CD2-CD2 3.68Å; F105-F127 HydrophobicContact CD2-CD2 3.68Å; F105-F127 AromaticContact CD2-CE2 3.71Å; F105-F127 HydrophobicContact CD2-CE2 3.71Å; F105-F127 AromaticContact CE2-CD2 3.62Å; F105-F127 HydrophobicContact CE2-CD2 3.62Å; F105-F127 AromaticContact CE2-CE2 3.78Å; F105-F127 HydrophobicContact CE2-CE2 3.78Å; L125-F127 HydrophobicContact CD2-CE2 3.74Å; L125-F127 HydrophobicContact CD2-CZ 4.02Å; L125-F127 HydrophobicContact CG-CE2 3.96Å; F127-C135 WeakPolarHBondContact CA-O 3.46Å; F127-V136 HydrophobicContact CD1-CB 3.99Å; F127-V136 HydrophobicContact CD1-CG2 4.02Å; F127-V136 HydrophobicContact CD2-CG2 4.16Å; F127-V136 HydrophobicContact CE1-CB 3.93Å; F127-V136 HydrophobicContact CE1-CG2 3.73Å; F127-V136 HydrophobicContact CE2-CG2 3.87Å; F127-V136 HydrophobicContact CG-CB 4.49Å; F127-V136 HydrophobicContact CG-CG2 4.23Å; F127-V136 HydrophobicContact CZ-CB 4.36Å; F127-V136 HydrophobicContact CZ-CG2 3.64Å; F127-L163 HydrophobicContact CE1-CD1 4.07Å; F127-L163 HydrophobicContact CZ-CD1 4.02Å
128	G	98.1	Very high	91.5	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.8	-161.3	173.3	0	0	0	0	0	111.8	T100 C135	T100-G128 WeakPolarHBondContact O-CA 3.48Å; G128-C135 PolarHBondContact N-O 2.89Å; G128-C135 PolarHBondContact O-N 3.12Å
129	F	96.4	Very high	92.2	Very high	56 Å²	56	29.8 Å²	29.8	25%	0.246	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.6	175.6	-60.8	-92.8	0	0	0	111.2	H80 T100 Q101 R133 A134	H80-F129 AromaticContact CE1-CE2 3.6Å; H80-F129 AromaticContact ND1-CE2 3.59Å; T100-F129 PolarHBondContact N-O 2.95Å; T100-F129 PolarHBondContact O-N 3.38Å; T100-F129 WeakPolarHBondContact OG1-CB 3.25Å; T100-F129 PolarHBondContact OG1-O 3.3Å; T100-F129 VanDerWaalsContact OG1-O 3.06Å; Q101-F129 HydrophobicContact CB-CD2 4.13Å; Q101-F129 HydrophobicContact CB-CE2 4.41Å; Q101-F129 HydrophobicContact CG-CD2 4.37Å; F129-R133 CarbonylContact C-O 3.55Å; F129-R133 VanDerWaalsContact CA-O 3.26Å; F129-R133 WeakPolarHBondContact CA-O 3.41Å; F129-A134 HydrophobicContact CD1-CB 4.05Å; F129-A134 HydrophobicContact CE1-CB 3.8Å
130	L	93.9	Very high	93.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	113.9	169.6	-175.5	68	0	0	0	108.2	L95 K98 L99 G132 R133 M137 V332 M336	L95-L130 HydrophobicContact CD1-CD2 4.31Å; K98-L130 HydrophobicContact CB-CD1 3.81Å; L99-L130 HydrophobicContact CD2-CB 3.87Å; L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 3.48Å; L130-R133 PolarHBondContact N-O 3.5Å; L130-R133 WeakPolarHBondContact O-CB 3.34Å; L130-R133 PolarHBondContact O-N 2.95Å; L130-M137 HydrophobicContact CB-CE 4.09Å; L130-M137 HydrophobicContact CD2-CE 3.62Å; L130-M137 HydrophobicContact CG-CE 4.33Å; L130-V332 HydrophobicContact CD2-CG1 3.91Å; L130-M336 HydrophobicContact CB-CG 4.21Å; L130-M336 HydrophobicContact CD2-CG 3.53Å; L130-M336 HydrophobicContact CD2-SD 4.36Å; L130-M336 HydrophobicContact CG-CG 3.92Å
131	N	90.8	Very high	94.2	Very high	70 Å²	70	20.9 Å²	20.9	37%	0.374	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	47.2	-179.9	-152.5	12.5	0	0	0	113.6	R133 S333 M336 E337	N131-R133 PolarHBondContact O-N 2.88Å; N131-S333 WeakPolarHBondContact CB-OG 3.18Å; N131-S333 PolarHBondContact ND2-O 3.06Å; N131-S333 PolarHBondContact ND2-OG 2.94Å; N131-M336 HydrophobicContact CB-CB 4.44Å; N131-E337 VanDerWaalsContact ND2-CD 3.25Å; N131-E337 WeakPolarHBondContact ND2-CG 3.37Å; N131-E337 PolarHBondContact ND2-OE1 3.08Å
132	G	90.4	Very high	95	Very high	68 Å²	68	20.2 Å²	20.2	70%	0.701	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	-9	-178.4	0	0	0	0	0	115.6	L130	L130-G132 VanDerWaalsContact C-N 3.29Å; L130-G132 PolarHBondContact O-N 3.48Å
133	R	94.2	Very high	95.6	Very high	44 Å²	44	18.3 Å²	18.3	17%	0.166	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	128.6	177.5	-167.9	64.2	59.4	-164.2	-3.2	110.7	V84 F129 L130 N131 C135 M336 I339	V84-R133 HydrophobicContact CB-CG 4.43Å; V84-R133 HydrophobicContact CG2-CG 3.59Å; F129-R133 CarbonylContact C-O 3.55Å; F129-R133 VanDerWaalsContact CA-O 3.26Å; F129-R133 WeakPolarHBondContact CA-O 3.41Å; L130-R133 PolarHBondContact N-O 3.5Å; L130-R133 WeakPolarHBondContact O-CB 3.34Å; L130-R133 PolarHBondContact O-N 2.95Å; N131-R133 PolarHBondContact O-N 2.88Å; R133-C135 PolarHBondContact O-N 2.9Å; R133-C135 PolarHBondContact O-SG 3.33Å; R133-C135 VanDerWaalsContact O-SG 3.37Å; R133-M336 HydrophobicContact CB-CB 4.13Å; R133-M336 HydrophobicContact CB-SD 4.5Å; R133-M336 HydrophobicContact CG-SD 4.36Å; R133-I339 PolarHBondContact NH2-O 2.98Å
134	A	96.8	Very high	95.8	Very high	17 Å²	17	19.3 Å²	19.3	14%	0.14	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	119.9	173.7	0	0	0	0	0	110	Q83 V84 F129	Q83-A134 PolarHBondContact N-O 3.48Å; V84-A134 PolarHBondContact N-O 3.48Å; F129-A134 HydrophobicContact CD1-CB 4.05Å; F129-A134 HydrophobicContact CE1-CB 3.8Å
135	C	97.6	Very high	95.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	152.3	-172.7	-67	0	0	0	0	111.9	V84 L99 F127 G128 R133 M137	V84-C135 CarbonylContact O-C 3.58Å; V84-C135 VanDerWaalsContact O-CA 3.23Å; V84-C135 WeakPolarHBondContact O-CA 3.49Å; L99-C135 HydrophobicContact CD2-CB 4.06Å; F127-C135 WeakPolarHBondContact CA-O 3.46Å; G128-C135 PolarHBondContact N-O 2.89Å; G128-C135 PolarHBondContact O-N 3.12Å; R133-C135 PolarHBondContact O-N 2.9Å; R133-C135 PolarHBondContact O-SG 3.33Å; R133-C135 VanDerWaalsContact O-SG 3.37Å; C135-M137 HydrophobicContact CB-CE 4.33Å
136	V	98.6	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.1	160.8	60.2	0	0	0	0	108.2	P82 V84 A85 V86 L125 V126 F127 F160 V165	P82-V136 HydrophobicContact CB-CB 3.85Å; P82-V136 HydrophobicContact CB-CG1 3.81Å; P82-V136 HydrophobicContact CG-CB 3.93Å; P82-V136 HydrophobicContact CG-CG1 3.82Å; V84-V136 PolarHBondContact O-N 3.42Å; A85-V136 CarbonylContact C-O 3.52Å; A85-V136 VanDerWaalsContact CA-O 3.24Å; A85-V136 WeakPolarHBondContact CA-O 3.44Å; A85-V136 HydrophobicContact CB-CG1 3.81Å; V86-V136 PolarHBondContact N-O 3.13Å; L125-V136 HydrophobicContact CD1-CG2 3.67Å; L125-V136 HydrophobicContact CD2-CG2 4.04Å; L125-V136 HydrophobicContact CG-CG2 3.65Å; V126-V136 CarbonylContact O-C 3.56Å; V126-V136 WeakPolarHBondContact O-CA 3.26Å; F127-V136 HydrophobicContact CD1-CB 3.99Å; F127-V136 HydrophobicContact CD1-CG2 4.02Å; F127-V136 HydrophobicContact CD2-CG2 4.16Å; F127-V136 HydrophobicContact CE1-CB 3.93Å; F127-V136 HydrophobicContact CE1-CG2 3.73Å; F127-V136 HydrophobicContact CE2-CG2 3.87Å; F127-V136 HydrophobicContact CG-CB 4.49Å; F127-V136 HydrophobicContact CG-CG2 4.23Å; F127-V136 HydrophobicContact CZ-CB 4.36Å; F127-V136 HydrophobicContact CZ-CG2 3.64Å; V136-F160 HydrophobicContact CG1-CD1 3.88Å; V136-F160 HydrophobicContact CG1-CE1 4.04Å; V136-F160 HydrophobicContact CG1-CG 4.46Å; V136-F160 HydrophobicContact CG2-CE1 4.1Å; V136-V165 HydrophobicContact CG1-CG2 4.04Å
137	M	97.9	Very high	95.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128	-175	-59.9	-167.1	169.6	0	0	111.3	V86 L95 T96 L99 L125 V126 L130 C135 Q139	V86-M137 HydrophobicContact CB-CE 4.39Å; V86-M137 HydrophobicContact CB-CG 3.98Å; V86-M137 HydrophobicContact CG2-CE 4Å; V86-M137 HydrophobicContact CG2-CG 4.29Å; V86-M137 CarbonylContact O-C 3.54Å; V86-M137 VanDerWaalsContact O-CA 3.26Å; V86-M137 WeakPolarHBondContact O-CA 3.46Å; L95-M137 HydrophobicContact CD2-CE 3.97Å; L95-M137 HydrophobicContact CD2-SD 4.15Å; L95-M137 HydrophobicContact CG-CE 4.02Å; L95-M137 HydrophobicContact CG-SD 4.06Å; T96-M137 HydrophobicContact CG2-CB 3.77Å; T96-M137 HydrophobicContact CG2-SD 3.97Å; L99-M137 HydrophobicContact CD1-CB 4.38Å; L99-M137 HydrophobicContact CD1-CE 4.48Å; L99-M137 HydrophobicContact CD1-CG 3.92Å; L99-M137 HydrophobicContact CD1-SD 3.75Å; L99-M137 HydrophobicContact CD2-CE 3.88Å; L99-M137 HydrophobicContact CD2-SD 4.23Å; L99-M137 HydrophobicContact CG-CE 4.2Å; L99-M137 HydrophobicContact CG-SD 3.97Å; L125-M137 WeakPolarHBondContact CA-O 3.16Å; V126-M137 PolarHBondContact N-O 3.27Å; V126-M137 PolarHBondContact O-N 3.24Å; L130-M137 HydrophobicContact CB-CE 4.09Å; L130-M137 HydrophobicContact CD2-CE 3.62Å; L130-M137 HydrophobicContact CG-CE 4.33Å; C135-M137 HydrophobicContact CB-CE 4.33Å; M137-Q139 PolarHBondContact O-N 2.9Å
138	M	97.7	Very high	95.3	Very high	2 Å²	2	27 Å²	27	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	109.1	167.5	-71.8	-177.1	69.9	0	0	109.5	V86 I87 C88 Y107 L125 G140 F142 P156 F160	V86-M138 PolarHBondContact O-N 2.84Å; I87-M138 HydrophobicContact CD1-SD 4.07Å; I87-M138 HydrophobicContact CG1-CG 4.48Å; I87-M138 HydrophobicContact CG1-SD 3.89Å; I87-M138 HydrophobicContact CG2-CB 4.28Å; I87-M138 HydrophobicContact CG2-SD 4.3Å; C88-M138 WeakPolarHBondContact CB-O 3.46Å; C88-M138 PolarHBondContact N-O 2.9Å; Y107-M138 WeakPolarHBondContact OH-CA 3.4Å; Y107-M138 VanDerWaalsContact OH-CB 3.23Å; Y107-M138 WeakPolarHBondContact OH-CB 3.44Å; L125-M138 HydrophobicContact CD1-CG 3.7Å; M138-G140 VanDerWaalsContact C-N 3.31Å; M138-G140 PolarHBondContact O-N 3.35Å; M138-G140 VanDerWaalsContact O-N 3.11Å; M138-F142 HydrophobicContact CE-CD2 4.22Å; M138-F142 HydrophobicContact CE-CE2 3.73Å; M138-F142 HydrophobicContact CE-CZ 4.18Å; M138-P156 HydrophobicContact CE-CB 4.04Å; M138-P156 HydrophobicContact CE-CG 3.63Å; M138-P156 HydrophobicContact SD-CB 3.55Å; M138-P156 VanDerWaalsContact SD-CB 3.55Å; M138-P156 HydrophobicContact SD-CG 3.85Å; M138-F160 HydrophobicContact CG-CE2 4.15Å; M138-F160 HydrophobicContact CG-CZ 3.6Å; M138-F160 HydrophobicContact SD-CE2 3.79Å; M138-F160 HydrophobicContact SD-CZ 3.66Å
139	Q	94.3	Very high	95.2	Very high	40 Å²	40	29 Å²	29	19%	0.187	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	77.7	173.8	-158.5	-177.5	24	0	0	109.9	G93 T96 A122 G123 K124 M137	G93-Q139 PolarHBondContact O-NE2 3.41Å; T96-Q139 HydrophobicContact CG2-CB 3.97Å; T96-Q139 HydrophobicContact CG2-CG 4.03Å; T96-Q139 PolarHBondContact OG1-NE2 3.45Å; A122-Q139 HydrophobicContact CB-CB 4.41Å; A122-Q139 HydrophobicContact CB-CG 4Å; A122-Q139 PolarHBondContact N-O 2.94Å; A122-Q139 VanDerWaalsContact N-O 3.15Å; G123-Q139 PolarHBondContact N-O 2.64Å; K124-Q139 HydrophobicContact CB-CB 4.17Å; K124-Q139 PolarHBondContact O-N 3.2Å; M137-Q139 PolarHBondContact O-N 2.9Å
140	G	89.6	Confident	95.3	Very high	2 Å²	2	26.9 Å²	26.9	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	107.5	131.4	-170.1	0	0	0	0	0	110.7	Y107 H121 M138	Y107-G140 WeakPolarHBondContact CE2-O 3.38Å; Y107-G140 PolarHBondContact OH-O 2.98Å; H121-G140 WeakPolarHBondContact ND1-CA 3.4Å; M138-G140 VanDerWaalsContact C-N 3.31Å; M138-G140 PolarHBondContact O-N 3.35Å; M138-G140 VanDerWaalsContact O-N 3.11Å
141	R	94.6	Very high	95.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.008	18%	0.179	C	C	.	.			trans	-102.7	-177.8	173.7	64.3	159.2	55.4	89	10.5	112.2	I87 H121 H143 T171 S277 E281	I87-R141 HydrophobicContact CG2-CB 3.72Å; I87-R141 VanDerWaalsContact CG2-NH2 3.33Å; I87-R141 PolarHBondContact O-NH2 3.37Å; H121-R141 PolarHBondContact CE1-N 2.81Å; H121-R141 PolarHBondContact ND1-N 2.82Å; H121-R141 PolarHBondContact ND1-O 2.83Å; R141-H143 WeakPolarHBondContact CD-NE2 3.35Å; R141-T171 PolarHBondContact NH1-O 3.46Å; R141-T171 PolarHBondContact NH2-O 3.08Å; R141-S277 VanDerWaalsContact CD-CB 3.42Å; R141-S277 PolarHBondContact NH1-OG 2.91Å; R141-E281 IonicContact CZ-OE1 2.68Å; R141-E281 IonicContact CZ-OE2 3.6Å; R141-E281 IonicContact NE-OE1 2.69Å; R141-E281 PolarHBondContact NE-OE1 2.85Å; R141-E281 IonicContact NE-OE2 3.75Å; R141-E281 IonicContact NH2-OE2 2.87Å; R141-E281 PolarHBondContact NH2-OE2 2.98Å
142	F	95.8	Very high	95.7	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	18%	0.175	C	C	.	.			trans	-109.3	154	173.8	-45.3	-58.8	0	0	0	109.9	Y107 F113 P114 M138 E146 Y148 V153 P156	Y107-F142 AromaticContact CD2-CE1 3.66Å; Y107-F142 HydrophobicContact CD2-CE1 3.66Å; Y107-F142 AromaticContact CD2-CZ 3.6Å; Y107-F142 HydrophobicContact CD2-CZ 3.6Å; Y107-F142 AromaticContact CE2-CE1 3.72Å; Y107-F142 HydrophobicContact CE2-CE1 3.72Å; Y107-F142 AromaticContact CE2-CZ 3.6Å; Y107-F142 HydrophobicContact CE2-CZ 3.6Å; Y107-F142 HydrophobicContact CG-CZ 4.37Å; F113-F142 HydrophobicContact CD1-CZ 4.18Å; F113-F142 HydrophobicContact CE1-CZ 4.39Å; P114-F142 HydrophobicContact CB-CD1 3.94Å; P114-F142 HydrophobicContact CB-CD2 3.97Å; P114-F142 HydrophobicContact CB-CE1 3.78Å; P114-F142 HydrophobicContact CB-CE2 3.78Å; P114-F142 HydrophobicContact CB-CG 4.05Å; P114-F142 HydrophobicContact CB-CZ 3.69Å; P114-F142 HydrophobicContact CG-CD2 3.86Å; P114-F142 HydrophobicContact CG-CE2 3.61Å; P114-F142 HydrophobicContact CG-CG 4.41Å; P114-F142 HydrophobicContact CG-CZ 3.99Å; P114-F142 VanDerWaalsContact O-CE1 3.3Å; P114-F142 WeakPolarHBondContact O-CE1 3.39Å; P114-F142 WeakPolarHBondContact O-CZ 3.36Å; M138-F142 HydrophobicContact CE-CD2 4.22Å; M138-F142 HydrophobicContact CE-CE2 3.73Å; M138-F142 HydrophobicContact CE-CZ 4.18Å; F142-E146 WeakPolarHBondContact CA-OE2 3.32Å; F142-Y148 HydrophobicContact CB-CD2 4.09Å; F142-Y148 HydrophobicContact CD1-CE2 4.45Å; F142-V153 HydrophobicContact CB-CG2 4.23Å; F142-P156 HydrophobicContact CD2-CG 4.3Å; F142-P156 HydrophobicContact CE2-CG 3.65Å
143	H	96.9	Very high	96.1	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.032	14%	0.144	C	C	.	.			trans	-134	152.8	179.8	-52.4	90.9	0	0	0	111.9	H121 R141 Y145 E146	H121-H143 AromaticContact CE1-CE1 3.26Å; H121-H143 PolarHBondContact CE1-CE1 3.44Å; H121-H143 AromaticContact ND1-CE1 3.95Å; H121-H143 AromaticContact NE2-CE1 3.85Å; R141-H143 WeakPolarHBondContact CD-NE2 3.35Å; H143-Y145 VanDerWaalsContact C-N 3.29Å; H143-Y145 HydrophobicContact CB-CD1 3.66Å; H143-Y145 HydrophobicContact CB-CD2 4.16Å; H143-Y145 HydrophobicContact CB-CE1 3.33Å; H143-Y145 HydrophobicContact CB-CE2 3.85Å; H143-Y145 HydrophobicContact CB-CG 4.07Å; H143-Y145 VanDerWaalsContact CB-CZ 3.43Å; H143-Y145 AromaticContact CD2-CE1 3.65Å; H143-Y145 AromaticContact CD2-CZ 3.82Å; H143-Y145 PolarHBondContact CE1-OH 2.94Å; H143-Y145 AromaticContact CG-CE1 3.49Å; H143-Y145 VanDerWaalsContact CG-CE1 3.49Å; H143-Y145 AromaticContact CG-CZ 3.37Å; H143-Y145 VanDerWaalsContact CG-OH 3.31Å; H143-Y145 AromaticContact ND1-CZ 3.59Å; H143-Y145 PolarHBondContact ND1-OH 3.02Å; H143-Y145 VanDerWaalsContact ND1-OH 3.13Å; H143-Y145 PolarHBondContact O-N 2.95Å; H143-E146 HydrophobicContact CB-CG 4.13Å; H143-E146 IonicContact CE1-OE1 3.8Å; H143-E146 IonicContact CG-OE1 3.49Å; H143-E146 VanDerWaalsContact N-CD 3.32Å; H143-E146 PolarHBondContact N-OE2 2.85Å; H143-E146 IonicContact ND1-OE1 2.92Å; H143-E146 PolarHBondContact ND1-OE1 3.35Å; H143-E146 VanDerWaalsContact O-CB 3.32Å; H143-E146 WeakPolarHBondContact O-CB 3.27Å; H143-E146 PolarHBondContact O-N 2.83Å; H143-E146 VanDerWaalsContact O-N 3.17Å
144	T	95.6	Very high	96.3	Very high	32 Å²	32	23.3 Å²	23.3	20%	0.196	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-65.2	-33.1	177.1	46.7	0	0	0	0	112.9	E146 G147 L150 V153	T144-E146 PolarHBondContact O-N 2.86Å; T144-G147 PolarHBondContact O-N 3.47Å; T144-L150 HydrophobicContact CG2-CD2 3.25Å; T144-L150 HydrophobicContact CG2-CG 3.93Å; T144-V153 HydrophobicContact CG2-CG2 4.3Å
145	Y	96	Very high	96.4	Very high	67 Å²	67	22.5 Å²	22.5	26%	0.263	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-67.5	-12.9	177.4	61.6	-110.4	0	0	0	113.4	V118 H143 G147 A253 P255 M276	V118-Y145 HydrophobicContact CG2-CE2 3.64Å; H143-Y145 VanDerWaalsContact C-N 3.29Å; H143-Y145 HydrophobicContact CB-CD1 3.66Å; H143-Y145 HydrophobicContact CB-CD2 4.16Å; H143-Y145 HydrophobicContact CB-CE1 3.33Å; H143-Y145 HydrophobicContact CB-CE2 3.85Å; H143-Y145 HydrophobicContact CB-CG 4.07Å; H143-Y145 VanDerWaalsContact CB-CZ 3.43Å; H143-Y145 AromaticContact CD2-CE1 3.65Å; H143-Y145 AromaticContact CD2-CZ 3.82Å; H143-Y145 PolarHBondContact CE1-OH 2.94Å; H143-Y145 AromaticContact CG-CE1 3.49Å; H143-Y145 VanDerWaalsContact CG-CE1 3.49Å; H143-Y145 AromaticContact CG-CZ 3.37Å; H143-Y145 VanDerWaalsContact CG-OH 3.31Å; H143-Y145 AromaticContact ND1-CZ 3.59Å; H143-Y145 PolarHBondContact ND1-OH 3.02Å; H143-Y145 VanDerWaalsContact ND1-OH 3.13Å; H143-Y145 PolarHBondContact O-N 2.95Å; Y145-G147 PolarHBondContact O-N 2.86Å; Y145-A253 WeakPolarHBondContact CB-O 3.33Å; Y145-P255 HydrophobicContact CD2-CB 4.3Å; Y145-P255 HydrophobicContact CG-CB 4.08Å; Y145-M276 HydrophobicContact CD1-CB 4.01Å; Y145-M276 HydrophobicContact CD1-SD 4.07Å; Y145-M276 HydrophobicContact CE1-CB 3.78Å; Y145-M276 HydrophobicContact CE1-SD 4.04Å
146	E	95.3	Very high	96.4	Very high	36 Å²	36	22.5 Å²	22.5	17%	0.168	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-76	-6.2	171.2	-61.1	164.2	-177	0	0	111.6	V118 F142 H143 T144 Y148	V118-E146 HydrophobicContact CG2-CG 3.76Å; V118-E146 WeakPolarHBondContact CG2-OE1 3.37Å; F142-E146 WeakPolarHBondContact CA-OE2 3.32Å; H143-E146 HydrophobicContact CB-CG 4.13Å; H143-E146 IonicContact CE1-OE1 3.8Å; H143-E146 IonicContact CG-OE1 3.49Å; H143-E146 VanDerWaalsContact N-CD 3.32Å; H143-E146 PolarHBondContact N-OE2 2.85Å; H143-E146 IonicContact ND1-OE1 2.92Å; H143-E146 PolarHBondContact ND1-OE1 3.35Å; H143-E146 VanDerWaalsContact O-CB 3.32Å; H143-E146 WeakPolarHBondContact O-CB 3.27Å; H143-E146 PolarHBondContact O-N 2.83Å; H143-E146 VanDerWaalsContact O-N 3.17Å; T144-E146 PolarHBondContact O-N 2.86Å; E146-Y148 HydrophobicContact CB-CD2 3.75Å; E146-Y148 HydrophobicContact CB-CE2 3.91Å; E146-Y148 WeakPolarHBondContact OE2-CD2 3.21Å; E146-Y148 WeakPolarHBondContact OE2-CE2 3.23Å
147	G	95	Very high	96.4	Very high	70 Å²	70	22.6 Å²	22.6	72%	0.722	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.4	4.3	-176.2	0	0	0	0	0	113.9	T144 Y145	T144-G147 PolarHBondContact O-N 3.47Å; Y145-G147 PolarHBondContact O-N 2.86Å
148	Y	96.4	Very high	96.5	Very high	49 Å²	49	23.5 Å²	23.5	19%	0.192	14%	0.135	C	C	.	.			trans	-75.9	141.4	177.3	-67	-53.4	0	0	0	112.5	Q115 F142 E146 K152	Q115-Y148 WeakPolarHBondContact O-CE2 3.31Å; Q115-Y148 PolarHBondContact O-OH 3.2Å; F142-Y148 HydrophobicContact CB-CD2 4.09Å; F142-Y148 HydrophobicContact CD1-CE2 4.45Å; E146-Y148 HydrophobicContact CB-CD2 3.75Å; E146-Y148 HydrophobicContact CB-CE2 3.91Å; E146-Y148 WeakPolarHBondContact OE2-CD2 3.21Å; E146-Y148 WeakPolarHBondContact OE2-CE2 3.23Å; Y148-K152 HydrophobicContact CD1-CB 4.33Å; Y148-K152 HydrophobicContact CD1-CD 3.8Å; Y148-K152 HydrophobicContact CE1-CD 4.41Å; Y148-K152 HydrophobicContact CG-CB 4.49Å
149	S	96.6	Very high	96.5	Very high	44 Å²	44	23.4 Å²	23.4	31%	0.308	13%	0.134	S	C	.	.			trans	-61.8	155.1	163.7	71.2	0	0	0	0	110.1	E61 S151 K152 V153	E61-S149 VanDerWaalsContact OE2-CB 3.32Å; E61-S149 WeakPolarHBondContact OE2-CB 3.4Å; E61-S149 PolarHBondContact OE2-OG 3.07Å; S149-S151 PolarHBondContact O-N 3.42Å; S149-K152 PolarHBondContact O-N 3.09Å; S149-K152 VanDerWaalsContact O-N 3.15Å; S149-K152 WeakPolarHBondContact OG-CB 3.21Å; S149-K152 PolarHBondContact OG-N 2.92Å; S149-V153 WeakPolarHBondContact O-CG2 3.04Å; S149-V153 PolarHBondContact O-N 2.95Å
150	L	97.5	Very high	96.8	Very high	11 Å²	11	21.5 Å²	21.5	6%	0.058	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-28.6	174.5	-72.7	174.9	0	0	0	112.6	T144 V153 T154 Q201 P203 P280	T144-L150 HydrophobicContact CG2-CD2 3.25Å; T144-L150 HydrophobicContact CG2-CG 3.93Å; L150-V153 PolarHBondContact O-N 3Å; L150-T154 WeakPolarHBondContact O-CB 3.41Å; L150-T154 WeakPolarHBondContact O-CG2 3.46Å; L150-T154 PolarHBondContact O-N 3.31Å; L150-T154 PolarHBondContact O-OG1 3.27Å; L150-Q201 HydrophobicContact CD1-CB 3.95Å; L150-Q201 VanDerWaalsContact CD1-O 3.23Å; L150-Q201 WeakPolarHBondContact CD1-O 2.75Å; L150-P203 HydrophobicContact CB-CB 4.08Å; L150-P280 HydrophobicContact CD2-CB 3.82Å; L150-P280 HydrophobicContact CD2-CG 3.55Å
151	S	96.1	Very high	97.2	Very high	28 Å²	28	26.6 Å²	26.6	20%	0.196	14%	0.144	C	C	.	.	H	α-helix	trans	-63.6	-40.1	173.5	-56.7	0	0	0	0	111.9	S149 F155	S149-S151 PolarHBondContact O-N 3.42Å; S151-F155 WeakPolarHBondContact O-CB 3.25Å; S151-F155 PolarHBondContact O-N 3.14Å
152	K	97.1	Very high	97.4	Very high	69 Å²	69	28.6 Å²	28.6	30%	0.3	15%	0.154	S	C	.	.	H	α-helix	trans	-68.2	-48.1	171.2	-86.7	-178.1	168.6	129.1	0	112.2	E61 F62 P114 Y148 S149 T154 F155	E61-K152 WeakPolarHBondContact OE1-CD 3.17Å; E61-K152 WeakPolarHBondContact OE1-CE 3.24Å; E61-K152 IonicContact OE1-NZ 3.67Å; E61-K152 PolarHBondContact OE1-NZ 3.49Å; F62-K152 HydrophobicContact CE2-CB 4.4Å; F62-K152 HydrophobicContact CE2-CG 3.59Å; F62-K152 HydrophobicContact CZ-CG 3.68Å; P114-K152 HydrophobicContact CG-CB 4.22Å; P114-K152 HydrophobicContact CG-CG 4.5Å; P114-K152 WeakPolarHBondContact CG-O 3.38Å; Y148-K152 HydrophobicContact CD1-CB 4.33Å; Y148-K152 HydrophobicContact CD1-CD 3.8Å; Y148-K152 HydrophobicContact CE1-CD 4.41Å; Y148-K152 HydrophobicContact CG-CB 4.49Å; S149-K152 PolarHBondContact O-N 3.09Å; S149-K152 VanDerWaalsContact O-N 3.15Å; S149-K152 WeakPolarHBondContact OG-CB 3.21Å; S149-K152 PolarHBondContact OG-N 2.92Å; K152-T154 PolarHBondContact O-N 3.45Å; K152-T154 VanDerWaalsContact O-N 3.16Å; K152-F155 WeakPolarHBondContact O-CB 3.38Å; K152-F155 PolarHBondContact O-N 3.32Å; K152-F155 VanDerWaalsContact O-N 3.11Å
153	V	98.1	Very high	97.5	Very high	9 Å²	9	29 Å²	29	6%	0.055	16%	0.156	C	C	.	.	H	α-helix	trans	-53.9	-40.1	179.3	169.4	0	0	0	0	111.3	F142 T144 S149 L150	F142-V153 HydrophobicContact CB-CG2 4.23Å; T144-V153 HydrophobicContact CG2-CG2 4.3Å; S149-V153 WeakPolarHBondContact O-CG2 3.04Å; S149-V153 PolarHBondContact O-N 2.95Å; L150-V153 PolarHBondContact O-N 3Å
154	T	98.6	Very high	97.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.012	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.7	-175.6	60.5	0	0	0	0	114.2	L150 K152 P156 V157 P203 P280 V284	L150-T154 WeakPolarHBondContact O-CB 3.41Å; L150-T154 WeakPolarHBondContact O-CG2 3.46Å; L150-T154 PolarHBondContact O-N 3.31Å; L150-T154 PolarHBondContact O-OG1 3.27Å; K152-T154 PolarHBondContact O-N 3.45Å; K152-T154 VanDerWaalsContact O-N 3.16Å; T154-P156 VanDerWaalsContact C-CD 3.44Å; T154-P156 VanDerWaalsContact C-N 3.35Å; T154-V157 WeakPolarHBondContact O-CB 3.45Å; T154-V157 PolarHBondContact O-N 3.16Å; T154-P203 HydrophobicContact CG2-CB 3.95Å; T154-P203 HydrophobicContact CG2-CG 4.34Å; T154-P280 HydrophobicContact CG2-CB 3.43Å; T154-P280 VanDerWaalsContact CG2-CB 3.43Å; T154-P280 WeakPolarHBondContact CG2-O 3.43Å; T154-V284 HydrophobicContact CG2-CG2 3.9Å
155	F	98.7	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-51.2	-46.8	-178	179.1	-87.3	0	0	0	113.3	F62 Y67 T70 N112 F113 S151 K152 V157 R158 V159	F62-F155 HydrophobicContact CB-CD2 4.43Å; F62-F155 HydrophobicContact CB-CE2 4.41Å; F62-F155 AromaticContact CD1-CD2 3.84Å; F62-F155 HydrophobicContact CD1-CD2 3.84Å; F62-F155 AromaticContact CD1-CE2 3.7Å; F62-F155 HydrophobicContact CD1-CE2 3.7Å; F62-F155 AromaticContact CD2-CD2 3.7Å; F62-F155 HydrophobicContact CD2-CD2 3.7Å; F62-F155 HydrophobicContact CD2-CE2 4.36Å; F62-F155 AromaticContact CE1-CD2 3.91Å; F62-F155 HydrophobicContact CE1-CD2 3.91Å; F62-F155 AromaticContact CE1-CE2 3.95Å; F62-F155 HydrophobicContact CE1-CE2 3.95Å; F62-F155 HydrophobicContact CE2-CB 4.39Å; F62-F155 AromaticContact CE2-CD2 3.77Å; F62-F155 HydrophobicContact CE2-CD2 3.77Å; F62-F155 HydrophobicContact CE2-CG 4.43Å; F62-F155 AromaticContact CG-CD2 3.72Å; F62-F155 HydrophobicContact CG-CD2 3.72Å; F62-F155 AromaticContact CG-CE2 3.91Å; F62-F155 HydrophobicContact CG-CE2 3.91Å; F62-F155 AromaticContact CZ-CD2 3.86Å; F62-F155 HydrophobicContact CZ-CD2 3.86Å; F62-F155 HydrophobicContact CZ-CE2 4.37Å; F62-F155 HydrophobicContact CZ-CG 4.49Å; Y67-F155 AromaticContact CD1-CD2 3.58Å; Y67-F155 HydrophobicContact CD1-CD2 3.58Å; Y67-F155 AromaticContact CD1-CE2 3.38Å; Y67-F155 HydrophobicContact CD1-CE2 3.38Å; Y67-F155 HydrophobicContact CD1-CG 4.23Å; Y67-F155 AromaticContact CD1-CZ 3.92Å; Y67-F155 HydrophobicContact CD1-CZ 3.92Å; Y67-F155 HydrophobicContact CE1-CB 4.29Å; Y67-F155 AromaticContact CE1-CD2 3.12Å; Y67-F155 HydrophobicContact CE1-CD2 3.12Å; Y67-F155 AromaticContact CE1-CE2 3.42Å; Y67-F155 HydrophobicContact CE1-CE2 3.42Å; Y67-F155 VanDerWaalsContact CE1-CE2 3.42Å; Y67-F155 AromaticContact CE1-CG 3.81Å; Y67-F155 HydrophobicContact CE1-CG 3.81Å; Y67-F155 HydrophobicContact CE1-CZ 4.32Å; Y67-F155 HydrophobicContact CG-CE2 4.16Å; Y67-F155 AromaticContact CZ-CD2 3.91Å; T70-F155 HydrophobicContact CG2-CE1 4.11Å; T70-F155 HydrophobicContact CG2-CZ 4.48Å; N112-F155 HydrophobicContact CB-CE1 4.15Å; N112-F155 HydrophobicContact CB-CE2 4.06Å; N112-F155 HydrophobicContact CB-CZ 3.56Å; F113-F155 HydrophobicContact CD2-CD1 4.02Å; F113-F155 AromaticContact CD2-CE1 3.84Å; F113-F155 HydrophobicContact CD2-CE1 3.84Å; F113-F155 HydrophobicContact CE2-CD1 4.25Å; F113-F155 HydrophobicContact CE2-CE1 4.25Å; S151-F155 WeakPolarHBondContact O-CB 3.25Å; S151-F155 PolarHBondContact O-N 3.14Å; K152-F155 WeakPolarHBondContact O-CB 3.38Å; K152-F155 PolarHBondContact O-N 3.32Å; K152-F155 VanDerWaalsContact O-N 3.11Å; F155-V157 PolarHBondContact O-N 3.31Å; F155-V157 VanDerWaalsContact O-N 3.16Å; F155-R158 PolarHBondContact O-N 3.48Å; F155-V159 HydrophobicContact CD1-CG2 3.98Å; F155-V159 HydrophobicContact CE1-CG2 3.48Å; F155-V159 VanDerWaalsContact CE1-CG2 3.48Å; F155-V159 HydrophobicContact CZ-CG2 3.93Å; F155-V159 PolarHBondContact O-N 3.46Å
156	P	98.7	Very high	97.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.013	16%	0.156	C	C	.	.	H	α-helix	trans	-59.1	-30.4	-179.7	-26.7	37.2	0	0	0	114.3	F113 M138 F142 T154 R158 V159 F160	F113-P156 HydrophobicContact CE1-CB 4.28Å; F113-P156 HydrophobicContact CE1-CG 3.83Å; F113-P156 HydrophobicContact CE2-CB 4.28Å; F113-P156 HydrophobicContact CE2-CG 4.25Å; F113-P156 HydrophobicContact CZ-CB 3.65Å; F113-P156 HydrophobicContact CZ-CG 3.63Å; M138-P156 HydrophobicContact CE-CB 4.04Å; M138-P156 HydrophobicContact CE-CG 3.63Å; M138-P156 HydrophobicContact SD-CB 3.55Å; M138-P156 VanDerWaalsContact SD-CB 3.55Å; M138-P156 HydrophobicContact SD-CG 3.85Å; F142-P156 HydrophobicContact CD2-CG 4.3Å; F142-P156 HydrophobicContact CE2-CG 3.65Å; T154-P156 VanDerWaalsContact C-CD 3.44Å; T154-P156 VanDerWaalsContact C-N 3.35Å; P156-R158 PolarHBondContact O-N 2.9Å; P156-V159 WeakPolarHBondContact O-CB 3.41Å; P156-V159 PolarHBondContact O-N 2.99Å; P156-F160 HydrophobicContact CB-CE1 4.34Å; P156-F160 HydrophobicContact CB-CE2 3.84Å; P156-F160 HydrophobicContact CB-CZ 3.68Å; P156-F160 WeakPolarHBondContact O-CD1 3.27Å; P156-F160 VanDerWaalsContact O-CD2 3.25Å; P156-F160 WeakPolarHBondContact O-CD2 3.46Å; P156-F160 WeakPolarHBondContact O-CG 3.4Å; P156-F160 PolarHBondContact O-N 2.98Å
157	V	98.9	Very high	98	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-65.7	-40.3	-176	-178.9	0	0	0	0	111.3	I87 T154 F155 F160 R161 L168 E281 V284 A285 L290	I87-V157 HydrophobicContact CD1-CG2 4.27Å; T154-V157 WeakPolarHBondContact O-CB 3.45Å; T154-V157 PolarHBondContact O-N 3.16Å; F155-V157 PolarHBondContact O-N 3.31Å; F155-V157 VanDerWaalsContact O-N 3.16Å; V157-F160 PolarHBondContact O-N 2.87Å; V157-R161 PolarHBondContact O-N 3.49Å; V157-R161 VanDerWaalsContact O-N 3.1Å; V157-L168 HydrophobicContact CG1-CD2 4.32Å; V157-L168 HydrophobicContact CG2-CD2 4.37Å; V157-E281 HydrophobicContact CG2-CB 4.02Å; V157-E281 HydrophobicContact CG2-CG 4.42Å; V157-V284 HydrophobicContact CB-CB 4.42Å; V157-V284 HydrophobicContact CB-CG1 3.98Å; V157-V284 HydrophobicContact CG1-CB 4.24Å; V157-V284 HydrophobicContact CG1-CG1 3.9Å; V157-A285 HydrophobicContact CG1-CB 3.75Å; V157-L290 HydrophobicContact CG1-CD2 4.3Å
158	R	98.8	Very high	98.1	Very high	20 Å²	20	22 Å²	22	8%	0.075	11%	0.113	C	C	.	.	H	α-helix	trans	-68.9	-36.8	173.9	-79.6	174.8	175.5	170.7	0.3	111.8	Y67 F155 P156 F160 R161 L162 F212 V284	Y67-R158 HydrophobicContact CD1-CB 3.48Å; Y67-R158 VanDerWaalsContact CD1-CB 3.48Å; Y67-R158 HydrophobicContact CD1-CG 4.46Å; Y67-R158 HydrophobicContact CE1-CB 3.66Å; Y67-R158 HydrophobicContact CE1-CG 4.25Å; Y67-R158 HydrophobicContact CG-CB 3.97Å; Y67-R158 PolarHBondContact OH-NH1 2.85Å; F155-R158 PolarHBondContact O-N 3.48Å; P156-R158 PolarHBondContact O-N 2.9Å; R158-F160 VanDerWaalsContact C-N 3.35Å; R158-R161 WeakPolarHBondContact O-CB 3.38Å; R158-R161 PolarHBondContact O-N 3.13Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 3.36Å; R158-F212 HydrophobicContact CB-CE1 3.92Å; R158-F212 HydrophobicContact CB-CE2 4.4Å; R158-F212 HydrophobicContact CB-CZ 3.84Å; R158-F212 HydrophobicContact CG-CD1 4.13Å; R158-F212 HydrophobicContact CG-CD2 4.26Å; R158-F212 HydrophobicContact CG-CE1 3.95Å; R158-F212 HydrophobicContact CG-CE2 4.09Å; R158-F212 HydrophobicContact CG-CG 4.3Å; R158-F212 HydrophobicContact CG-CZ 3.94Å; R158-V284 HydrophobicContact CG-CG1 3.78Å
159	V	98.9	Very high	98.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-46.1	171.9	177.4	0	0	0	0	110.2	Y67 T70 A71 L74 F113 F155 P156 R161 L162 L163	Y67-V159 HydrophobicContact CD1-CG2 4.26Å; T70-V159 HydrophobicContact CG2-CG1 4.06Å; T70-V159 HydrophobicContact CG2-CG2 3.93Å; A71-V159 HydrophobicContact CB-CG1 4.21Å; L74-V159 HydrophobicContact CD1-CG1 3.72Å; F113-V159 HydrophobicContact CE2-CG2 4.46Å; F155-V159 HydrophobicContact CD1-CG2 3.98Å; F155-V159 HydrophobicContact CE1-CG2 3.48Å; F155-V159 VanDerWaalsContact CE1-CG2 3.48Å; F155-V159 HydrophobicContact CZ-CG2 3.93Å; F155-V159 PolarHBondContact O-N 3.46Å; P156-V159 WeakPolarHBondContact O-CB 3.41Å; P156-V159 PolarHBondContact O-N 2.99Å; V159-R161 VanDerWaalsContact C-N 3.31Å; V159-R161 PolarHBondContact O-N 3.36Å; V159-L162 CarbonylContact O-C 3.51Å; V159-L162 WeakPolarHBondContact O-CA 2.97Å; V159-L162 PolarHBondContact O-N 3.33Å; V159-L163 HydrophobicContact CG1-CD1 4.3Å; V159-L163 HydrophobicContact CG1-CG 4.31Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.02Å
160	F	98.9	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.6	-42.9	177.1	-59.8	-27.2	0	0	0	112.4	A85 I87 L125 V136 M138 P156 V157 R158 L162 L163 G164 V165 L168	A85-F160 HydrophobicContact CB-CB 4.15Å; A85-F160 HydrophobicContact CB-CD1 4.4Å; A85-F160 HydrophobicContact CB-CD2 3.45Å; A85-F160 VanDerWaalsContact CB-CD2 3.45Å; A85-F160 HydrophobicContact CB-CE2 3.94Å; A85-F160 HydrophobicContact CB-CG 3.74Å; I87-F160 HydrophobicContact CG1-CE2 4.48Å; L125-F160 HydrophobicContact CD1-CE1 3.91Å; L125-F160 HydrophobicContact CD1-CZ 3.97Å; L125-F160 HydrophobicContact CD2-CE1 4.45Å; V136-F160 HydrophobicContact CG1-CD1 3.88Å; V136-F160 HydrophobicContact CG1-CE1 4.04Å; V136-F160 HydrophobicContact CG1-CG 4.46Å; V136-F160 HydrophobicContact CG2-CE1 4.1Å; M138-F160 HydrophobicContact CG-CE2 4.15Å; M138-F160 HydrophobicContact CG-CZ 3.6Å; M138-F160 HydrophobicContact SD-CE2 3.79Å; M138-F160 HydrophobicContact SD-CZ 3.66Å; P156-F160 HydrophobicContact CB-CE1 4.34Å; P156-F160 HydrophobicContact CB-CE2 3.84Å; P156-F160 HydrophobicContact CB-CZ 3.68Å; P156-F160 WeakPolarHBondContact O-CD1 3.27Å; P156-F160 VanDerWaalsContact O-CD2 3.25Å; P156-F160 WeakPolarHBondContact O-CD2 3.46Å; P156-F160 WeakPolarHBondContact O-CG 3.4Å; P156-F160 PolarHBondContact O-N 2.98Å; V157-F160 PolarHBondContact O-N 2.87Å; R158-F160 VanDerWaalsContact C-N 3.35Å; F160-L162 VanDerWaalsContact C-N 3.25Å; F160-L162 PolarHBondContact O-N 3.2Å; F160-L163 HydrophobicContact CD1-CD1 4.22Å; F160-L163 PolarHBondContact O-N 3.29Å; F160-L163 VanDerWaalsContact O-N 3.16Å; F160-G164 PolarHBondContact O-N 2.85Å; F160-V165 HydrophobicContact CB-CB 3.95Å; F160-V165 HydrophobicContact CB-CG1 4.33Å; F160-V165 HydrophobicContact CB-CG2 3.92Å; F160-V165 VanDerWaalsContact O-CB 3.23Å; F160-V165 WeakPolarHBondContact O-CB 3.49Å; F160-V165 WeakPolarHBondContact O-CG2 3.44Å; F160-V165 PolarHBondContact O-N 3.34Å; F160-L168 HydrophobicContact CD2-CD1 4.34Å
161	R	98.6	Very high	98.3	Very high	108 Å²	108	17.2 Å²	17.2	41%	0.408	9%	0.088	S	C	.	.	H	α-helix	trans	-54.8	-43.1	174	175.9	64.7	-173.9	95.5	-4.3	112.1	V157 R158 V159 G164 C288 L290	V157-R161 PolarHBondContact O-N 3.49Å; V157-R161 VanDerWaalsContact O-N 3.1Å; R158-R161 WeakPolarHBondContact O-CB 3.38Å; R158-R161 PolarHBondContact O-N 3.13Å; V159-R161 VanDerWaalsContact C-N 3.31Å; V159-R161 PolarHBondContact O-N 3.36Å; R161-G164 PolarHBondContact O-N 2.79Å; R161-C288 HydrophobicContact CB-CB 4.37Å; R161-C288 VanDerWaalsContact CD-O 3.31Å; R161-C288 WeakPolarHBondContact CD-O 3.5Å; R161-C288 HydrophobicContact CG-CB 4Å; R161-C288 PolarHBondContact NE-O 3.12Å; R161-L290 HydrophobicContact CB-CD1 4.03Å; R161-L290 HydrophobicContact CG-CD1 4.23Å
162	L	98.8	Very high	98.3	Very high	45 Å²	45	15.9 Å²	15.9	24%	0.236	8%	0.078	C	C	.	.	H	α-helix	trans	-75.4	-26.7	-179.8	-63	-179.7	0	0	0	113	Y64 Q68 A71 R158 V159 F160 G164 F212	Y64-L162 HydrophobicContact CE2-CD2 4.34Å; Q68-L162 HydrophobicContact CB-CD1 4.31Å; A71-L162 HydrophobicContact CB-CB 3.58Å; A71-L162 HydrophobicContact CB-CD1 4.29Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 3.36Å; V159-L162 CarbonylContact O-C 3.51Å; V159-L162 WeakPolarHBondContact O-CA 2.97Å; V159-L162 PolarHBondContact O-N 3.33Å; F160-L162 VanDerWaalsContact C-N 3.25Å; F160-L162 PolarHBondContact O-N 3.2Å; L162-G164 PolarHBondContact O-N 2.89Å; L162-F212 HydrophobicContact CD1-CE1 4.29Å; L162-F212 HydrophobicContact CD1-CZ 4.23Å; L162-F212 HydrophobicContact CD2-CE1 4.08Å; L162-F212 HydrophobicContact CG-CE1 4.08Å
163	L	98.7	Very high	98.2	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.042	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-5.8	167.3	-61.4	179.8	0	0	0	113.1	A71 L74 L75 P82 F127 V159 F160	A71-L163 HydrophobicContact CB-CD2 4.12Å; A71-L163 WeakPolarHBondContact O-CD2 3.49Å; L74-L163 HydrophobicContact CB-CD2 3.98Å; L74-L163 HydrophobicContact CD1-CD1 4.09Å; L75-L163 HydrophobicContact CD1-CD2 4.23Å; L75-L163 HydrophobicContact CD2-CD2 3.87Å; L75-L163 HydrophobicContact CG-CD2 3.62Å; P82-L163 HydrophobicContact CG-CB 4.36Å; F127-L163 HydrophobicContact CE1-CD1 4.07Å; F127-L163 HydrophobicContact CZ-CD1 4.02Å; V159-L163 HydrophobicContact CG1-CD1 4.3Å; V159-L163 HydrophobicContact CG1-CG 4.31Å; V159-L163 WeakPolarHBondContact O-CG 3.29Å; V159-L163 PolarHBondContact O-N 3.02Å; F160-L163 HydrophobicContact CD1-CD1 4.22Å; F160-L163 PolarHBondContact O-N 3.29Å; F160-L163 VanDerWaalsContact O-N 3.16Å
164	G	98.1	Very high	98.2	Very high	25 Å²	25	13.2 Å²	13.2	26%	0.258	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	7.9	-179.5	0	0	0	0	0	114.4	F160 R161 L162 D166 R342	F160-G164 PolarHBondContact O-N 2.85Å; R161-G164 PolarHBondContact O-N 2.79Å; L162-G164 PolarHBondContact O-N 2.89Å; G164-D166 PolarHBondContact O-N 3.17Å; G164-R342 VanDerWaalsContact O-CZ 3.28Å; G164-R342 PolarHBondContact O-NE 3Å; G164-R342 PolarHBondContact O-NH2 2.69Å
165	V	98.6	Very high	98.2	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	7%	0.072	C	C	.	.			trans	-57.4	133	175.6	171.2	0	0	0	0	109.8	P82 Q83 A85 V136 F160 T167 L290	P82-V165 HydrophobicContact CB-CG2 4.24Å; P82-V165 HydrophobicContact CG-CG2 4.02Å; Q83-V165 WeakPolarHBondContact O-CA 3.49Å; Q83-V165 WeakPolarHBondContact O-CG1 3.37Å; A85-V165 HydrophobicContact CB-CG1 3.74Å; A85-V165 HydrophobicContact CB-CG2 4.22Å; V136-V165 HydrophobicContact CG1-CG2 4.04Å; F160-V165 HydrophobicContact CB-CB 3.95Å; F160-V165 HydrophobicContact CB-CG1 4.33Å; F160-V165 HydrophobicContact CB-CG2 3.92Å; F160-V165 VanDerWaalsContact O-CB 3.23Å; F160-V165 WeakPolarHBondContact O-CB 3.49Å; F160-V165 WeakPolarHBondContact O-CG2 3.44Å; F160-V165 PolarHBondContact O-N 3.34Å; V165-T167 VanDerWaalsContact CG1-O 3.23Å; V165-T167 WeakPolarHBondContact CG1-O 3.3Å; V165-L290 HydrophobicContact CG1-CD2 4.39Å
166	D	98	Very high	98.1	Very high	40 Å²	40	13.5 Å²	13.5	21%	0.214	7%	0.074	C	C	.	.			trans	-109.7	-15.4	178	67.2	31.9	0	0	0	113	Q83 G164 R291 R342	Q83-D166 VanDerWaalsContact CG-OD2 3.23Å; Q83-D166 WeakPolarHBondContact CG-OD2 3.26Å; Q83-D166 PolarHBondContact NE2-OD2 2.86Å; Q83-D166 PolarHBondContact O-N 3.28Å; G164-D166 PolarHBondContact O-N 3.17Å; D166-R291 WeakPolarHBondContact O-CB 3.31Å; D166-R291 PolarHBondContact O-N 2.91Å; D166-R291 IonicContact OD1-NH1 2.8Å; D166-R342 VanDerWaalsContact OD2-CG 3.3Å; D166-R342 WeakPolarHBondContact OD2-CG 3.39Å
167	T	98.4	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.6	-175.4	-57.2	0	0	0	0	110.2	Q83 V84 A85 V165 M227 R291 I339	Q83-T167 PolarHBondContact O-N 3.31Å; V84-T167 CarbonylContact C-O 3.56Å; V84-T167 WeakPolarHBondContact CA-O 3.49Å; V84-T167 HydrophobicContact CG1-CG2 4.45Å; A85-T167 PolarHBondContact N-O 3.47Å; V165-T167 VanDerWaalsContact CG1-O 3.23Å; V165-T167 WeakPolarHBondContact CG1-O 3.3Å; T167-M227 HydrophobicContact CG2-CE 4.18Å; T167-M227 HydrophobicContact CG2-SD 3.91Å; T167-R291 CarbonylContact C-O 3.46Å; T167-R291 VanDerWaalsContact CA-O 3.32Å; T167-R291 WeakPolarHBondContact CA-O 3.4Å; T167-R291 HydrophobicContact CG2-CB 4.38Å; T167-R291 PolarHBondContact OG1-NH1 2.95Å; T167-I339 HydrophobicContact CG2-CD1 4.12Å; T167-I339 HydrophobicContact CG2-CG2 4.48Å
168	L	98.6	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.3	172.1	-176	67.6	0	0	0	110	A85 I87 V157 F160 V170 A285 L290 R291 V292 F293	A85-L168 HydrophobicContact CB-CD1 3.68Å; A85-L168 CarbonylContact O-C 3.59Å; A85-L168 WeakPolarHBondContact O-CA 3.49Å; I87-L168 HydrophobicContact CD1-CD1 3.96Å; I87-L168 HydrophobicContact CD1-CD2 4.41Å; I87-L168 HydrophobicContact CG1-CD1 3.94Å; V157-L168 HydrophobicContact CG1-CD2 4.32Å; V157-L168 HydrophobicContact CG2-CD2 4.37Å; F160-L168 HydrophobicContact CD2-CD1 4.34Å; L168-V170 HydrophobicContact CD2-CG1 3.71Å; L168-V170 HydrophobicContact CG-CG1 3.86Å; L168-A285 HydrophobicContact CB-CB 4.36Å; L168-A285 HydrophobicContact CD2-CB 3.56Å; L168-L290 HydrophobicContact CB-CD2 4.26Å; L168-R291 PolarHBondContact N-O 3.16Å; L168-V292 HydrophobicContact CB-CG2 4.42Å; L168-V292 WeakPolarHBondContact O-CA 3.37Å; L168-F293 PolarHBondContact O-N 3.38Å
169	V	98.1	Very high	97.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	116.9	167.8	177.1	0	0	0	0	109.1	V84 A85 V86 I87 T171 F293 F295 M336	V84-V169 HydrophobicContact CG1-CG2 4.13Å; A85-V169 PolarHBondContact O-N 3.02Å; V86-V169 CarbonylContact C-O 3.57Å; V86-V169 VanDerWaalsContact CA-O 3.3Å; V86-V169 WeakPolarHBondContact CA-O 3.23Å; V86-V169 HydrophobicContact CG1-CB 4.22Å; V86-V169 HydrophobicContact CG1-CG1 4.19Å; V86-V169 HydrophobicContact CG2-CB 4.2Å; I87-V169 PolarHBondContact N-O 2.91Å; V169-T171 HydrophobicContact CG1-CG2 4.12Å; V169-F293 CarbonylContact C-O 3.58Å; V169-F293 VanDerWaalsContact CA-O 3.27Å; V169-F293 WeakPolarHBondContact CA-O 3.32Å; V169-F293 HydrophobicContact CG1-CD1 4.08Å; V169-F293 HydrophobicContact CG2-CB 4.5Å; V169-F293 HydrophobicContact CG2-CD1 4.37Å; V169-F295 HydrophobicContact CG1-CE1 4.25Å; V169-M336 HydrophobicContact CG2-CE 4.04Å
170	V	98.1	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129	177.2	-67	0	0	0	0	110.5	I87 L168 T278 E281 V282 V292 F293 G294 F295	I87-V170 HydrophobicContact CD1-CG1 4.32Å; L168-V170 HydrophobicContact CD2-CG1 3.71Å; L168-V170 HydrophobicContact CG-CG1 3.86Å; V170-T278 HydrophobicContact CB-CG2 3.85Å; V170-T278 HydrophobicContact CG2-CG2 3.49Å; V170-T278 VanDerWaalsContact CG2-CG2 3.49Å; V170-E281 HydrophobicContact CG1-CB 4.35Å; V170-V282 HydrophobicContact CG1-CG2 4.37Å; V170-V282 HydrophobicContact CG2-CG2 3.88Å; V170-V292 HydrophobicContact CG2-CG1 4.4Å; V170-F293 PolarHBondContact N-O 2.94Å; V170-G294 VanDerWaalsContact O-CA 3.23Å; V170-G294 WeakPolarHBondContact O-CA 3.42Å; V170-F295 PolarHBondContact O-N 3.17Å; V170-F295 VanDerWaalsContact O-N 3.13Å
171	T	96.8	Very high	97.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.6	179.1	78.6	0	0	0	0	110.1	V86 I87 C88 G89 L92 R141 V169 F295	V86-T171 HydrophobicContact CG1-CG2 4.31Å; I87-T171 PolarHBondContact O-N 3.48Å; I87-T171 PolarHBondContact O-OG1 2.86Å; C88-T171 WeakPolarHBondContact CA-OG1 3.43Å; G89-T171 WeakPolarHBondContact CA-O 3.42Å; G89-T171 PolarHBondContact N-O 3.31Å; G89-T171 VanDerWaalsContact N-O 3.16Å; G89-T171 PolarHBondContact N-OG1 2.85Å; G89-T171 VanDerWaalsContact N-OG1 3.13Å; L92-T171 WeakPolarHBondContact CD1-OG1 3.34Å; R141-T171 PolarHBondContact NH1-O 3.46Å; R141-T171 PolarHBondContact NH2-O 3.08Å; V169-T171 HydrophobicContact CG1-CG2 4.12Å; T171-F295 WeakPolarHBondContact CA-O 3.25Å; T171-F295 HydrophobicContact CG2-CD1 4.26Å; T171-F295 HydrophobicContact CG2-CE1 3.45Å; T171-F295 VanDerWaalsContact CG2-CE1 3.45Å; T171-F295 HydrophobicContact CG2-CE2 3.9Å; T171-F295 HydrophobicContact CG2-CZ 3.24Å
172	N	96.6	Very high	97.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.7	176.5	63.6	64.1	0	0	0	112.1	T278 F295 S296 L297	N172-T278 PolarHBondContact ND2-OG1 3.21Å; N172-F295 PolarHBondContact N-O 3.4Å; N172-S296 PolarHBondContact ND2-OG 2.8Å; N172-S296 CarbonylContact O-C 3.57Å; N172-S296 WeakPolarHBondContact O-CA 3.35Å; N172-S296 VanDerWaalsContact OD1-CB 3.25Å; N172-S296 WeakPolarHBondContact OD1-CB 3.27Å; N172-S296 PolarHBondContact OD1-OG 3.13Å; N172-L297 PolarHBondContact O-N 2.98Å
173	A	95.2	Very high	97.4	Very high	18 Å²	18	21.8 Å²	21.8	15%	0.149	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.5	159.7	0	0	0	0	0	108.6	L297 T299 V317	A173-L297 WeakPolarHBondContact CA-O 3.37Å; A173-T299 HydrophobicContact CB-CG2 3.61Å; A173-V317 HydrophobicContact CB-CG1 3.56Å
174	A	97.9	Very high	97.1	Very high	3 Å²	3	22.6 Å²	22.6	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.7	-179.5	0	0	0	0	0	111.8	Y249 A273 V274 L297 I298 T299	A174-Y249 HydrophobicContact CB-CD2 4.4Å; A174-Y249 HydrophobicContact CB-CE2 4.17Å; A174-A273 HydrophobicContact CB-CB 3.9Å; A174-V274 CarbonylContact C-O 3.59Å; A174-V274 VanDerWaalsContact CA-O 3.29Å; A174-V274 WeakPolarHBondContact CA-O 3.41Å; A174-V274 WeakPolarHBondContact CB-O 3.35Å; A174-L297 PolarHBondContact N-O 3.49Å; A174-I298 WeakPolarHBondContact O-CA 3.49Å; A174-T299 PolarHBondContact O-N 3.49Å; A174-T299 PolarHBondContact O-OG1 3.31Å
175	G	98	Very high	97	Very high	5 Å²	5	21.8 Å²	21.8	5%	0.052	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	132.2	167.3	0	0	0	0	0	110.5	L177 A273 V274	G175-L177 PolarHBondContact O-N 3.02Å; G175-A273 CarbonylContact O-C 3.59Å; G175-A273 VanDerWaalsContact O-CA 3.27Å; G175-A273 WeakPolarHBondContact O-CA 3.43Å; G175-V274 PolarHBondContact N-O 3.23Å; G175-V274 PolarHBondContact O-N 3.2Å
176	G	98.2	Very high	96.9	Very high	4 Å²	4	21.8 Å²	21.8	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116	175.7	0	0	0	0	0	112	N300 V302	G176-N300 PolarHBondContact N-O 2.96Å; G176-V302 WeakPolarHBondContact O-CB 3.47Å; G176-V302 WeakPolarHBondContact O-CG2 3.34Å; G176-V302 PolarHBondContact O-N 3.32Å
177	L	98.3	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.			trans	-91.2	-30.5	171.3	-67	169.5	0	0	0	111.5	G175 V250 L266 A271 D272 V274 V302 M304	G175-L177 PolarHBondContact O-N 3.02Å; L177-V250 HydrophobicContact CD1-CG1 4.11Å; L177-L266 HydrophobicContact CD1-CB 3.67Å; L177-L266 HydrophobicContact CD1-CD1 4.41Å; L177-L266 HydrophobicContact CD2-CB 4.39Å; L177-A271 HydrophobicContact CD1-CB 3.72Å; L177-D272 WeakPolarHBondContact CB-O 3.44Å; L177-D272 PolarHBondContact N-O 3.5Å; L177-V274 HydrophobicContact CD1-CB 3.96Å; L177-V274 HydrophobicContact CD1-CG1 4.23Å; L177-V274 HydrophobicContact CD2-CG1 4.25Å; L177-V274 HydrophobicContact CG-CB 4.35Å; L177-V274 HydrophobicContact CG-CG1 4.07Å; L177-V302 HydrophobicContact CD2-CB 3.98Å; L177-V302 HydrophobicContact CD2-CG1 3.95Å; L177-V302 HydrophobicContact CD2-CG2 4.04Å; L177-V302 HydrophobicContact CG-CG2 4.43Å; L177-M304 VanDerWaalsContact O-CE 3.25Å; L177-M304 WeakPolarHBondContact O-CE 3.4Å
178	N	97.9	Very high	96.9	Very high	34 Å²	34	19.9 Å²	19.9	18%	0.182	12%	0.12	C	C	.	.	S	Bend	trans	-72.4	120.7	174	-168.9	-37.7	0	0	0	109.7	N180 F181 D272	N178-N180 PolarHBondContact O-N 3.01Å; N178-N180 VanDerWaalsContact O-N 3.14Å; N178-N180 WeakPolarHBondContact OD1-CB 3.43Å; N178-N180 PolarHBondContact OD1-N 3.2Å; N178-N180 VanDerWaalsContact OD1-N 3.08Å; N178-F181 HydrophobicContact CB-CD1 4.13Å; N178-F181 HydrophobicContact CB-CD2 3.86Å; N178-F181 HydrophobicContact CB-CE1 4.12Å; N178-F181 HydrophobicContact CB-CE2 3.86Å; N178-F181 HydrophobicContact CB-CG 3.98Å; N178-F181 HydrophobicContact CB-CZ 4Å; N178-F181 PolarHBondContact O-N 3.47Å; N178-D272 HydrophobicContact CB-CB 4.14Å; N178-D272 PolarHBondContact N-O 3.49Å; N178-D272 PolarHBondContact ND2-OD1 3.47Å
179	P	95.4	Very high	96.9	Very high	56 Å²	56	19.9 Å²	19.9	36%	0.364	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.1	-175.1	30.4	-39.4	0	0	0	113.8	F181	P179-F181 VanDerWaalsContact C-N 3.28Å
180	N	96.4	Very high	96.9	Very high	126 Å²	126	25 Å²	25	67%	0.674	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.6	177.3	-61.5	-21.1	0	0	0	112.5	N178	N178-N180 PolarHBondContact O-N 3.01Å; N178-N180 VanDerWaalsContact O-N 3.14Å; N178-N180 WeakPolarHBondContact OD1-CB 3.43Å; N178-N180 PolarHBondContact OD1-N 3.2Å; N178-N180 VanDerWaalsContact OD1-N 3.08Å
181	F	97.3	Very high	97	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.018	16%	0.158	C	C	.	.			trans	-83.5	144.5	175.2	-64.2	-6.1	0	0	0	110.5	N178 P179 M187 Q245 D272 I298 K301	N178-F181 HydrophobicContact CB-CD1 4.13Å; N178-F181 HydrophobicContact CB-CD2 3.86Å; N178-F181 HydrophobicContact CB-CE1 4.12Å; N178-F181 HydrophobicContact CB-CE2 3.86Å; N178-F181 HydrophobicContact CB-CG 3.98Å; N178-F181 HydrophobicContact CB-CZ 4Å; N178-F181 PolarHBondContact O-N 3.47Å; P179-F181 VanDerWaalsContact C-N 3.28Å; F181-M187 HydrophobicContact CE2-CB 4.21Å; F181-M187 HydrophobicContact CE2-CG 3.81Å; F181-M187 HydrophobicContact CE2-SD 3.44Å; F181-M187 WeakPolarHBondContact CE2-SD 3.23Å; F181-M187 HydrophobicContact CZ-CG 3.9Å; F181-M187 HydrophobicContact CZ-SD 3.91Å; F181-Q245 HydrophobicContact CD1-CB 4.07Å; F181-Q245 HydrophobicContact CD1-CG 3.66Å; F181-Q245 HydrophobicContact CE1-CB 3.56Å; F181-Q245 HydrophobicContact CE1-CG 3.66Å; F181-Q245 HydrophobicContact CG-CG 4.4Å; F181-Q245 HydrophobicContact CZ-CB 3.85Å; F181-Q245 HydrophobicContact CZ-CG 4.37Å; F181-D272 HydrophobicContact CE2-CB 3.75Å; F181-D272 HydrophobicContact CZ-CB 4Å; F181-I298 HydrophobicContact CB-CG1 4.3Å; F181-I298 HydrophobicContact CB-CG2 4.41Å; F181-I298 HydrophobicContact CD2-CD1 3.87Å; F181-I298 HydrophobicContact CD2-CG1 3.97Å; F181-I298 HydrophobicContact CE2-CD1 4.42Å; F181-I298 HydrophobicContact CG-CG1 4.43Å; F181-K301 WeakPolarHBondContact O-CE 3.43Å; F181-K301 PolarHBondContact O-NZ 3.27Å
182	E	95.4	Very high	97.1	Very high	73 Å²	73	29.5 Å²	29.5	34%	0.341	16%	0.162	S	C	.	.			trans	-117.5	156.2	176.5	-67.9	-57.2	147	0	0	110.7	G184 D185 K301	E182-G184 PolarHBondContact O-N 3.13Å; E182-D185 PolarHBondContact N-OD2 3.37Å; E182-D185 VanDerWaalsContact O-CB 3.22Å; E182-D185 WeakPolarHBondContact O-CB 3.46Å; E182-D185 VanDerWaalsContact O-CG 3.24Å; E182-D185 PolarHBondContact O-N 3.02Å; E182-K301 IonicContact OE1-NZ 2.74Å; E182-K301 PolarHBondContact OE1-NZ 2.82Å; E182-K301 IonicContact OE2-NZ 3.63Å; E182-K301 PolarHBondContact OE2-NZ 2.77Å
183	V	94.6	Very high	97.2	Very high	57 Å²	57	31 Å²	31	35%	0.345	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	135.1	172.1	-179.6	0	0	0	0	109.2	R242 I298 T299 K301 A320	V183-R242 PolarHBondContact O-NH1 3.38Å; V183-R242 VanDerWaalsContact O-NH1 3.13Å; V183-I298 WeakPolarHBondContact CA-O 3.49Å; V183-T299 WeakPolarHBondContact CG1-O 3.32Å; V183-K301 HydrophobicContact CG2-CG 4.22Å; V183-A320 HydrophobicContact CG1-CB 4Å
184	G	93.3	Very high	97.4	Very high	25 Å²	25	30.9 Å²	30.9	26%	0.258	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-7.4	-174.4	0	0	0	0	0	114.7	E182 I298	E182-G184 PolarHBondContact O-N 3.13Å; G184-I298 PolarHBondContact N-O 2.85Å
185	D	95.7	Very high	97.4	Very high	7 Å²	7	33 Å²	33	4%	0.037	18%	0.178	C	C	.	.			trans	-67.7	147	174.2	-72.2	-4	0	0	0	111.2	E182 R242 Q245 I298	E182-D185 PolarHBondContact N-OD2 3.37Å; E182-D185 VanDerWaalsContact O-CB 3.22Å; E182-D185 WeakPolarHBondContact O-CB 3.46Å; E182-D185 VanDerWaalsContact O-CG 3.24Å; E182-D185 PolarHBondContact O-N 3.02Å; D185-R242 WeakPolarHBondContact OD1-CD 3.46Å; D185-R242 IonicContact OD1-CZ 3.04Å; D185-R242 IonicContact OD1-NE 3.96Å; D185-R242 IonicContact OD1-NH1 3.79Å; D185-R242 PolarHBondContact OD1-NH1 3.24Å; D185-Q245 HydrophobicContact CB-CG 4.05Å; D185-I298 HydrophobicContact CB-CB 4.32Å; D185-I298 HydrophobicContact CB-CG1 4.16Å; D185-I298 PolarHBondContact O-N 3.03Å
186	I	96.2	Very high	97.4	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	121.2	172.5	-62.4	167.7	0	0	0	107.1	W235 L244 Q245 F295 S296 L297 K327 L328 F331	I186-W235 HydrophobicContact CB-CH2 4.19Å; I186-W235 HydrophobicContact CB-CZ3 4.45Å; I186-W235 HydrophobicContact CD1-CH2 3.72Å; I186-W235 HydrophobicContact CD1-CZ3 3.63Å; I186-W235 HydrophobicContact CG1-CH2 4.28Å; I186-L244 HydrophobicContact CB-CD1 3.75Å; I186-L244 HydrophobicContact CG2-CD1 3.67Å; I186-L244 WeakPolarHBondContact O-CD1 3.23Å; I186-Q245 WeakPolarHBondContact O-CB 3.23Å; I186-Q245 PolarHBondContact O-N 3.24Å; I186-F295 HydrophobicContact CG2-CB 4.06Å; I186-F295 HydrophobicContact CG2-CD2 3.84Å; I186-F295 HydrophobicContact CG2-CG 4.14Å; I186-S296 WeakPolarHBondContact CA-O 3.47Å; I186-L297 HydrophobicContact CG1-CD1 4.38Å; I186-K327 HydrophobicContact CD1-CG 4.45Å; I186-L328 HydrophobicContact CD1-CD2 3.25Å; I186-L328 HydrophobicContact CD1-CG 3.79Å; I186-L328 HydrophobicContact CG1-CD2 3.76Å; I186-L328 HydrophobicContact CG1-CG 4.42Å; I186-F331 HydrophobicContact CG2-CE1 4.34Å
187	M	98.3	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.9	176.4	-173.9	-161.6	72.7	0	0	109.9	F181 I189 Q245 D272 A273 F295 S296 I298	F181-M187 HydrophobicContact CE2-CB 4.21Å; F181-M187 HydrophobicContact CE2-CG 3.81Å; F181-M187 HydrophobicContact CE2-SD 3.44Å; F181-M187 WeakPolarHBondContact CE2-SD 3.23Å; F181-M187 HydrophobicContact CZ-CG 3.9Å; F181-M187 HydrophobicContact CZ-SD 3.91Å; M187-I189 HydrophobicContact CE-CG1 4.16Å; M187-I189 PolarHBondContact O-N 3.33Å; M187-Q245 CarbonylContact C-O 3.57Å; M187-Q245 WeakPolarHBondContact CA-O 3.26Å; M187-Q245 HydrophobicContact CB-CB 4.07Å; M187-Q245 HydrophobicContact CG-CB 4.18Å; M187-D272 HydrophobicContact SD-CB 3.83Å; M187-A273 HydrophobicContact CE-CB 3.62Å; M187-A273 HydrophobicContact SD-CB 3.82Å; M187-F295 CarbonylContact O-C 3.55Å; M187-F295 WeakPolarHBondContact O-CA 3.44Å; M187-F295 WeakPolarHBondContact O-CB 3.43Å; M187-S296 PolarHBondContact N-O 3.26Å; M187-S296 PolarHBondContact O-N 3.2Å; M187-I298 HydrophobicContact CB-CD1 4.28Å
188	L	98.5	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.3	164.4	-63.2	-171.4	0	0	0	109.8	R190 R228 A231 L232 L244 Q245 E246 G247 F293 F295 F331	L188-R190 PolarHBondContact O-N 2.96Å; L188-R228 HydrophobicContact CD1-CB 4.37Å; L188-A231 HydrophobicContact CD1-CB 3.91Å; L188-A231 HydrophobicContact CD2-CB 4.13Å; L188-L232 HydrophobicContact CD1-CD2 4.23Å; L188-L232 HydrophobicContact CD1-CG 3.98Å; L188-L244 HydrophobicContact CD1-CD2 3.64Å; L188-L244 HydrophobicContact CD1-CG 4.36Å; L188-L244 HydrophobicContact CD2-CD2 3.91Å; L188-L244 HydrophobicContact CD2-CG 4.42Å; L188-L244 HydrophobicContact CG-CD2 3.65Å; L188-L244 HydrophobicContact CG-CG 3.97Å; L188-Q245 PolarHBondContact N-O 3.07Å; L188-E246 HydrophobicContact CB-CB 4.23Å; L188-E246 HydrophobicContact CB-CG 4.13Å; L188-E246 WeakPolarHBondContact O-CA 3.25Å; L188-G247 PolarHBondContact O-N 2.96Å; L188-F293 HydrophobicContact CD2-CE1 4.46Å; L188-F293 HydrophobicContact CD2-CE2 3.76Å; L188-F293 HydrophobicContact CD2-CZ 3.42Å; L188-F293 VanDerWaalsContact CD2-CZ 3.42Å; L188-F295 HydrophobicContact CD2-CB 4.17Å; L188-F331 HydrophobicContact CD2-CE1 4.49Å; L188-F331 HydrophobicContact CD2-CZ 4.07Å
189	I	98.8	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	104.8	174.5	-55.4	171.5	0	0	0	107	M187 D191 Y223 Y249 T278 G294	M187-I189 HydrophobicContact CE-CG1 4.16Å; M187-I189 PolarHBondContact O-N 3.33Å; I189-D191 WeakPolarHBondContact CG2-O 3.44Å; I189-Y223 HydrophobicContact CB-CD1 4.1Å; I189-Y223 HydrophobicContact CB-CE1 3.84Å; I189-Y223 HydrophobicContact CG2-CD1 3.98Å; I189-Y223 HydrophobicContact CG2-CD2 4.23Å; I189-Y223 HydrophobicContact CG2-CE1 3.46Å; I189-Y223 VanDerWaalsContact CG2-CE1 3.46Å; I189-Y223 HydrophobicContact CG2-CE2 3.75Å; I189-Y223 HydrophobicContact CG2-CG 4.33Å; I189-Y223 WeakPolarHBondContact O-CB 3.4Å; I189-Y223 WeakPolarHBondContact O-CD1 3.5Å; I189-Y223 VanDerWaalsContact O-CG 3.31Å; I189-Y249 HydrophobicContact CD1-CG 4.45Å; I189-T278 HydrophobicContact CD1-CG2 4.2Å; I189-G294 PolarHBondContact N-O 2.96Å
190	R	98.9	Very high	97.5	Very high	108 Å²	108	43.7 Å²	43.7	41%	0.408	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-37.5	173.2	179.5	-176.8	66.6	-141.1	-8.3	111.1	L188 Y223 E246 G247	L188-R190 PolarHBondContact O-N 2.96Å; R190-Y223 WeakPolarHBondContact O-CD2 3.36Å; R190-E246 HydrophobicContact CB-CG 3.74Å; R190-G247 PolarHBondContact N-O 2.87Å
191	D	98.9	Very high	97.6	Very high	75 Å²	75	42.9 Å²	42.9	40%	0.401	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	171.5	-176.9	-156.6	0.4	0	0	0	111	I189 T248 Y249	I189-D191 WeakPolarHBondContact CG2-O 3.44Å; D191-T248 HydrophobicContact CB-CG2 4.47Å; D191-T248 WeakPolarHBondContact O-CA 3.45Å; D191-Y249 PolarHBondContact O-N 2.91Å
192	H	98.9	Very high	97.6	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.102	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	158	173.3	67.5	-114.9	0	0	0	115	Y223 Y249 V279	H192-Y223 HydrophobicContact CB-CE2 4.18Å; H192-Y223 AromaticContact ND1-CE2 3.31Å; H192-Y223 VanDerWaalsContact ND1-CE2 3.31Å; H192-Y223 WeakPolarHBondContact ND1-CE2 3.39Å; H192-Y223 AromaticContact ND1-CZ 3.49Å; H192-Y223 PolarHBondContact ND1-OH 3.2Å; H192-Y249 CarbonylContact C-O 3.49Å; H192-Y249 WeakPolarHBondContact CA-O 3.25Å; H192-Y249 VanDerWaalsContact CB-O 3.24Å; H192-Y249 WeakPolarHBondContact CB-O 3.24Å; H192-V279 HydrophobicContact CB-CG2 3.68Å
193	I	98.9	Very high	97.7	Very high	31 Å²	31	41.9 Å²	41.9	16%	0.159	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117	165.1	-59.4	172.5	0	0	0	108.1	L195 F198 T248 Y249 V250 M251 L269 A271	I193-L195 HydrophobicContact CG2-CD2 3.93Å; I193-L195 HydrophobicContact CG2-CG 4.02Å; I193-L195 PolarHBondContact O-N 2.95Å; I193-F198 HydrophobicContact CG2-CE2 4.31Å; I193-T248 HydrophobicContact CD1-CG2 4.21Å; I193-T248 HydrophobicContact CG1-CG2 3.91Å; I193-Y249 PolarHBondContact N-O 3.09Å; I193-V250 HydrophobicContact CB-CB 4.09Å; I193-V250 HydrophobicContact CB-CG2 3.84Å; I193-V250 HydrophobicContact CG2-CG2 4.01Å; I193-M251 PolarHBondContact O-N 2.88Å; I193-M251 VanDerWaalsContact O-N 3.08Å; I193-L269 HydrophobicContact CD1-CB 4.3Å; I193-A271 HydrophobicContact CD1-CB 4.4Å
194	N	98.8	Very high	97.9	Very high	16 Å²	16	40.6 Å²	40.6	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	77.9	178.3	-172.7	7.8	0	0	0	111.2	G197 F198 V279 I283	N194-G197 WeakPolarHBondContact ND2-CA 3.3Å; N194-G197 WeakPolarHBondContact O-CA 3.25Å; N194-G197 PolarHBondContact O-N 3.24Å; N194-G197 PolarHBondContact OD1-N 3.13Å; N194-F198 PolarHBondContact O-N 3.27Å; N194-V279 HydrophobicContact CB-CG1 3.62Å; N194-I283 WeakPolarHBondContact ND2-CD1 3.12Å
195	L	98.6	Very high	98.1	Very high	49 Å²	49	46.8 Å²	46.8	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-43.6	179.6	-70.5	179.8	0	0	0	113.4	I193 G197 F198 V250 L252 L266	I193-L195 HydrophobicContact CG2-CD2 3.93Å; I193-L195 HydrophobicContact CG2-CG 4.02Å; I193-L195 PolarHBondContact O-N 2.95Å; L195-G197 PolarHBondContact O-N 2.82Å; L195-F198 HydrophobicContact CD2-CD2 4.03Å; L195-F198 HydrophobicContact CD2-CE2 4.23Å; L195-F198 PolarHBondContact O-N 2.94Å; L195-V250 HydrophobicContact CD1-CG2 3.66Å; L195-V250 HydrophobicContact CG-CG2 3.8Å; L195-L252 HydrophobicContact CD1-CD2 3.63Å; L195-L266 HydrophobicContact CD1-CD2 3.52Å
196	P	98.5	Very high	98.1	Very high	15 Å²	15	47.7 Å²	47.7	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-36.7	171.9	-25.5	35.1	0	0	0	112.7	F198 S199 G200 Q201 M251	P196-F198 VanDerWaalsContact C-N 3.29Å; P196-F198 PolarHBondContact O-N 3.47Å; P196-S199 PolarHBondContact O-N 2.9Å; P196-S199 VanDerWaalsContact O-N 3.13Å; P196-S199 PolarHBondContact O-OG 3.32Å; P196-G200 PolarHBondContact O-N 3.13Å; P196-Q201 CarbonylContact C-O 3.58Å; P196-Q201 HydrophobicContact CB-CB 3.8Å; P196-Q201 WeakPolarHBondContact O-CA 3.21Å; P196-Q201 WeakPolarHBondContact O-CB 3.42Å; P196-Q201 PolarHBondContact O-N 3.2Å; P196-M251 VanDerWaalsContact CD-O 3.32Å; P196-M251 WeakPolarHBondContact CD-O 3.49Å; P196-M251 HydrophobicContact CG-CE 4.35Å; P196-M251 HydrophobicContact CG-CG 4.31Å; P196-M251 HydrophobicContact CG-SD 4.13Å
197	G	98.4	Very high	98.2	Very high	18 Å²	18	50.7 Å²	50.7	19%	0.186	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-37.6	176.9	0	0	0	0	0	113.6	N194 L195 S199 G200 Q201	N194-G197 WeakPolarHBondContact ND2-CA 3.3Å; N194-G197 WeakPolarHBondContact O-CA 3.25Å; N194-G197 PolarHBondContact O-N 3.24Å; N194-G197 PolarHBondContact OD1-N 3.13Å; L195-G197 PolarHBondContact O-N 2.82Å; G197-S199 PolarHBondContact O-N 2.99Å; G197-G200 PolarHBondContact O-N 3.42Å; G197-G200 VanDerWaalsContact O-N 3.07Å; G197-Q201 WeakPolarHBondContact CA-O 3.26Å; G197-Q201 PolarHBondContact N-O 3.33Å
198	F	98.5	Very high	98.2	Very high	166 Å²	166	52.4 Å²	52.4	73%	0.728	28%	0.278	S	S	*	.	H	α-helix	trans	-64.8	-27.2	177.6	-65.9	-19.2	0	0	0	113.3	I193 N194 L195 P196	I193-F198 HydrophobicContact CG2-CE2 4.31Å; N194-F198 PolarHBondContact O-N 3.27Å; L195-F198 HydrophobicContact CD2-CD2 4.03Å; L195-F198 HydrophobicContact CD2-CE2 4.23Å; L195-F198 PolarHBondContact O-N 2.94Å; P196-F198 VanDerWaalsContact C-N 3.29Å; P196-F198 PolarHBondContact O-N 3.47Å
199	S	97.8	Very high	98.1	Very high	95 Å²	95	54.3 Å²	54.3	66%	0.664	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	9.4	174.6	62.7	0	0	0	0	113.7	P196 G197	P196-S199 PolarHBondContact O-N 2.9Å; P196-S199 VanDerWaalsContact O-N 3.13Å; P196-S199 PolarHBondContact O-OG 3.32Å; G197-S199 PolarHBondContact O-N 2.99Å
200	G	97.1	Very high	98.1	Very high	29 Å²	29	60.3 Å²	60.3	30%	0.299	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	3.6	177.2	0	0	0	0	0	114.9	P196 G197 N202 R205	P196-G200 PolarHBondContact O-N 3.13Å; G197-G200 PolarHBondContact O-N 3.42Å; G197-G200 VanDerWaalsContact O-N 3.07Å; G200-N202 VanDerWaalsContact C-N 3.3Å; G200-N202 PolarHBondContact O-N 3.24Å; G200-N202 VanDerWaalsContact O-N 3.07Å; G200-R205 WeakPolarHBondContact O-CD 3.45Å
201	Q	97.5	Very high	98	Very high	108 Å²	108	61.4 Å²	61.4	51%	0.505	32%	0.319	S	S	.	.			trans	-80.8	81.4	169.3	-64.1	-66.7	-12.2	0	0	109	L150 P196 G197	L150-Q201 HydrophobicContact CD1-CB 3.95Å; L150-Q201 VanDerWaalsContact CD1-O 3.23Å; L150-Q201 WeakPolarHBondContact CD1-O 2.75Å; P196-Q201 CarbonylContact C-O 3.58Å; P196-Q201 HydrophobicContact CB-CB 3.8Å; P196-Q201 WeakPolarHBondContact O-CA 3.21Å; P196-Q201 WeakPolarHBondContact O-CB 3.42Å; P196-Q201 PolarHBondContact O-N 3.2Å; G197-Q201 WeakPolarHBondContact CA-O 3.26Å; G197-Q201 PolarHBondContact N-O 3.33Å
202	N	98.4	Very high	98	Very high	51 Å²	51	58.5 Å²	58.5	27%	0.273	30%	0.303	S	S	.	.			trans	-128	134.3	179.8	-171	-59.2	0	0	0	109.7	G200 L204 R205	G200-N202 VanDerWaalsContact C-N 3.3Å; G200-N202 PolarHBondContact O-N 3.24Å; G200-N202 VanDerWaalsContact O-N 3.07Å; N202-L204 PolarHBondContact O-N 3.33Å; N202-L204 VanDerWaalsContact O-N 3.09Å; N202-L204 WeakPolarHBondContact OD1-CB 3.32Å; N202-L204 PolarHBondContact OD1-N 3.06Å; N202-R205 VanDerWaalsContact O-CB 3.29Å; N202-R205 WeakPolarHBondContact O-CB 3.16Å; N202-R205 PolarHBondContact O-N 2.85Å
203	P	98.1	Very high	98	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.039	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.3	-179	28.8	-37.4	0	0	0	114.3	L150 T154 P280 I283 V284	L150-P203 HydrophobicContact CB-CB 4.08Å; T154-P203 HydrophobicContact CG2-CB 3.95Å; T154-P203 HydrophobicContact CG2-CG 4.34Å; P203-P280 HydrophobicContact CG-CB 4.18Å; P203-I283 HydrophobicContact CG-CB 4.08Å; P203-I283 HydrophobicContact CG-CG2 3.85Å; P203-V284 HydrophobicContact CB-CG2 3.59Å; P203-V284 HydrophobicContact CG-CG2 3.69Å
204	L	98.3	Very high	98	Very high	29 Å²	29	60.9 Å²	60.9	15%	0.152	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	4.5	176.8	-51.3	-178.6	0	0	0	113.2	N202 P217 I283 V284 H287	N202-L204 PolarHBondContact O-N 3.33Å; N202-L204 VanDerWaalsContact O-N 3.09Å; N202-L204 WeakPolarHBondContact OD1-CB 3.32Å; N202-L204 PolarHBondContact OD1-N 3.06Å; L204-P217 HydrophobicContact CD1-CG 3.52Å; L204-I283 HydrophobicContact CD1-CG2 3.59Å; L204-I283 HydrophobicContact CD2-CG2 4.44Å; L204-I283 HydrophobicContact CG-CG2 3.71Å; L204-V284 HydrophobicContact CD2-CG2 4.18Å; L204-H287 HydrophobicContact CD1-CB 4Å; L204-H287 HydrophobicContact CD2-CB 3.88Å
205	R	97.3	Very high	97.9	Very high	155 Å²	155	65.1 Å²	65.1	59%	0.585	34%	0.337	S	S	*	.			trans	-65.7	142.4	172.6	-179.8	177.7	169.6	-176.5	-5.8	109.9	G200 N202	G200-R205 WeakPolarHBondContact O-CD 3.45Å; N202-R205 VanDerWaalsContact O-CB 3.29Å; N202-R205 WeakPolarHBondContact O-CB 3.16Å; N202-R205 PolarHBondContact O-N 2.85Å
206	G	96.3	Very high	97.9	Very high	27 Å²	27	71.1 Å²	71.1	28%	0.278	36%	0.362	S	S	.	.	S	Bend	trans	106.8	-172.9	-175	0	0	0	0	0	111.9	R215	G206-R215 PolarHBondContact O-NH1 3.41Å; G206-R215 PolarHBondContact O-NH2 2.65Å
207	P	97	Very high	97.9	Very high	65 Å²	65	72 Å²	72	42%	0.422	37%	0.367	S	S	.	.	S	Bend	trans	-58.1	138.4	171	-26	35.5	0	0	0	112.7	N60	N60-P207 PolarHBondContact ND2-O 3.05Å; N60-P207 WeakPolarHBondContact OD1-CD 3.45Å
208	N	98.1	Very high	97.9	Very high	36 Å²	36	74.4 Å²	74.4	19%	0.193	39%	0.386	C	S	.	.			trans	-79.3	139.5	177.2	-173.6	53.6	0	0	0	111.1	E210 G213 R215 H287	N208-E210 PolarHBondContact ND2-OE1 3.34Å; N208-E210 PolarHBondContact ND2-OE2 2.98Å; N208-G213 PolarHBondContact ND2-O 2.77Å; N208-R215 HydrophobicContact CB-CB 4.43Å; N208-R215 PolarHBondContact ND2-N 3.43Å; N208-H287 PolarHBondContact OD1-NE2 3.11Å
209	E	97.4	Very high	97.9	Very high	39 Å²	39	68.7 Å²	68.7	18%	0.182	36%	0.362	C	S	.	.			trans	-98.2	96.3	170.8	178.2	52.8	-100.8	0	0	108.7	Y64 R211 F212 G213	Y64-E209 HydrophobicContact CD2-CG 4.06Å; E209-R211 VanDerWaalsContact CD-NE 3.32Å; E209-R211 HydrophobicContact CG-CB 4.32Å; E209-R211 PolarHBondContact O-N 2.92Å; E209-R211 VanDerWaalsContact O-N 3.15Å; E209-R211 WeakPolarHBondContact OE1-CB 3.34Å; E209-R211 WeakPolarHBondContact OE1-CG 3.43Å; E209-R211 IonicContact OE1-CZ 3.51Å; E209-R211 PolarHBondContact OE1-N 3.18Å; E209-R211 IonicContact OE1-NE 3.57Å; E209-R211 PolarHBondContact OE1-NE 3.45Å; E209-R211 IonicContact OE1-NH2 3.41Å; E209-R211 IonicContact OE2-CZ 2.96Å; E209-R211 IonicContact OE2-NE 3.98Å; E209-R211 IonicContact OE2-NH2 3.87Å; E209-R211 PolarHBondContact OE2-NH2 3.03Å; E209-F212 HydrophobicContact CB-CD2 3.95Å; E209-F212 HydrophobicContact CG-CD2 3.46Å; E209-F212 VanDerWaalsContact CG-CD2 3.46Å; E209-F212 HydrophobicContact CG-CE2 3.93Å; E209-F212 HydrophobicContact CG-CG 4.4Å; E209-F212 PolarHBondContact O-N 2.88Å; E209-G213 PolarHBondContact O-N 2.78Å
210	E	97.8	Very high	98	Very high	126 Å²	126	69.9 Å²	69.9	59%	0.589	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.7	-175.5	-62.3	-63.6	150.5	0	0	112.7	N208 F212	N208-E210 PolarHBondContact ND2-OE1 3.34Å; N208-E210 PolarHBondContact ND2-OE2 2.98Å; E210-F212 PolarHBondContact O-N 2.9Å
211	R	98.4	Very high	98	Very high	131 Å²	131	73 Å²	73	49%	0.494	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.6	173.1	-69.5	174.9	-78.6	-174.4	-4.8	112.9	Y64 E65 E209	Y64-R211 HydrophobicContact CD2-CB 3.9Å; Y64-R211 HydrophobicContact CE2-CB 3.62Å; Y64-R211 HydrophobicContact CE2-CG 4.39Å; E65-R211 IonicContact OE1-CZ 3.96Å; E65-R211 IonicContact OE1-NH1 2.79Å; E65-R211 PolarHBondContact OE1-NH1 3.45Å; E65-R211 IonicContact OE1-NH2 3.52Å; E209-R211 VanDerWaalsContact CD-NE 3.32Å; E209-R211 HydrophobicContact CG-CB 4.32Å; E209-R211 PolarHBondContact O-N 2.92Å; E209-R211 VanDerWaalsContact O-N 3.15Å; E209-R211 WeakPolarHBondContact OE1-CB 3.34Å; E209-R211 WeakPolarHBondContact OE1-CG 3.43Å; E209-R211 IonicContact OE1-CZ 3.51Å; E209-R211 PolarHBondContact OE1-N 3.18Å; E209-R211 IonicContact OE1-NE 3.57Å; E209-R211 PolarHBondContact OE1-NE 3.45Å; E209-R211 IonicContact OE1-NH2 3.41Å; E209-R211 IonicContact OE2-CZ 2.96Å; E209-R211 IonicContact OE2-NE 3.98Å; E209-R211 IonicContact OE2-NH2 3.87Å; E209-R211 PolarHBondContact OE2-NH2 3.03Å
212	F	98.5	Very high	98.1	Very high	15 Å²	15	68 Å²	68	7%	0.066	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-46.6	174.5	-73.9	-58.9	0	0	0	111.9	Y64 Y67 R158 L162 E209 E210 C288	Y64-F212 HydrophobicContact CD2-CD2 4.26Å; Y64-F212 HydrophobicContact CD2-CE1 4.46Å; Y64-F212 AromaticContact CD2-CE2 3.63Å; Y64-F212 HydrophobicContact CD2-CE2 3.63Å; Y64-F212 AromaticContact CD2-CZ 3.74Å; Y64-F212 HydrophobicContact CD2-CZ 3.74Å; Y64-F212 HydrophobicContact CE2-CE1 4.19Å; Y64-F212 HydrophobicContact CE2-CE2 4.16Å; Y64-F212 AromaticContact CE2-CZ 3.88Å; Y64-F212 HydrophobicContact CE2-CZ 3.88Å; Y67-F212 AromaticContact CD2-CE2 3.77Å; Y67-F212 HydrophobicContact CD2-CE2 3.77Å; Y67-F212 AromaticContact CD2-CZ 3.9Å; Y67-F212 HydrophobicContact CD2-CZ 3.9Å; Y67-F212 HydrophobicContact CE2-CE2 4.18Å; Y67-F212 HydrophobicContact CG-CE2 4.35Å; Y67-F212 HydrophobicContact CG-CZ 4.02Å; R158-F212 HydrophobicContact CB-CE1 3.92Å; R158-F212 HydrophobicContact CB-CE2 4.4Å; R158-F212 HydrophobicContact CB-CZ 3.84Å; R158-F212 HydrophobicContact CG-CD1 4.13Å; R158-F212 HydrophobicContact CG-CD2 4.26Å; R158-F212 HydrophobicContact CG-CE1 3.95Å; R158-F212 HydrophobicContact CG-CE2 4.09Å; R158-F212 HydrophobicContact CG-CG 4.3Å; R158-F212 HydrophobicContact CG-CZ 3.94Å; L162-F212 HydrophobicContact CD1-CE1 4.29Å; L162-F212 HydrophobicContact CD1-CZ 4.23Å; L162-F212 HydrophobicContact CD2-CE1 4.08Å; L162-F212 HydrophobicContact CG-CE1 4.08Å; E209-F212 HydrophobicContact CB-CD2 3.95Å; E209-F212 HydrophobicContact CG-CD2 3.46Å; E209-F212 VanDerWaalsContact CG-CD2 3.46Å; E209-F212 HydrophobicContact CG-CE2 3.93Å; E209-F212 HydrophobicContact CG-CG 4.4Å; E209-F212 PolarHBondContact O-N 2.88Å; E210-F212 PolarHBondContact O-N 2.9Å; F212-C288 HydrophobicContact CB-CB 4.22Å; F212-C288 HydrophobicContact CD1-CB 4.28Å; F212-C288 VanDerWaalsContact O-CA 3.3Å; F212-C288 WeakPolarHBondContact O-CA 3.42Å
213	G	98.1	Very high	98.1	Very high	14 Å²	14	65.9 Å²	65.9	14%	0.144	35%	0.345	C	S	.	.			trans	178.3	178.9	-176.5	0	0	0	0	0	114.2	N208 E209 H287	N208-G213 PolarHBondContact ND2-O 2.77Å; E209-G213 PolarHBondContact O-N 2.78Å; G213-H287 VanDerWaalsContact C-NE2 3.31Å; G213-H287 WeakPolarHBondContact CA-O 3.34Å; G213-H287 PolarHBondContact O-NE2 3.09Å
214	V	98.4	Very high	98.1	Very high	88 Å²	88	67.4 Å²	67.4	53%	0.533	35%	0.353	S	S	.	.			trans	-66.7	154.5	-175	-60.2	0	0	0	0	112.6	F216 P217 H287	V214-F216 VanDerWaalsContact C-N 3.28Å; V214-F216 PolarHBondContact O-N 2.77Å; V214-P217 HydrophobicContact CG2-CB 4.23Å; V214-H287 PolarHBondContact O-CD2 3.12Å; V214-H287 PolarHBondContact O-NE2 2.99Å; V214-H287 VanDerWaalsContact O-NE2 3.16Å
215	R	98.4	Very high	98.1	Very high	106 Å²	106	75.4 Å²	75.4	40%	0.4	38%	0.381	S	S	.	.	S	Bend	trans	-57.5	-36.5	177.6	178.2	60	-173	-179.2	0.7	114.4	G206 N208	G206-R215 PolarHBondContact O-NH1 3.41Å; G206-R215 PolarHBondContact O-NH2 2.65Å; N208-R215 HydrophobicContact CB-CB 4.43Å; N208-R215 PolarHBondContact ND2-N 3.43Å
216	F	98.5	Very high	98	Very high	175 Å²	175	73.3 Å²	73.3	77%	0.768	38%	0.382	S	S	*	.	S	Bend	trans	-127.7	78	-174	-56.4	-68.6	0	0	0	110.4	V214	V214-F216 VanDerWaalsContact C-N 3.28Å; V214-F216 PolarHBondContact O-N 2.77Å
217	P	98.4	Very high	98	Very high	33 Å²	33	72.1 Å²	72.1	21%	0.214	37%	0.369	C	S	.	.			trans	-71.9	139	178.9	29.9	-33.8	0	0	0	110.9	L204 V214 H287	L204-P217 HydrophobicContact CD1-CG 3.52Å; V214-P217 HydrophobicContact CG2-CB 4.23Å; P217-H287 HydrophobicContact CG-CB 4.3Å
218	A	98.4	Very high	98	Very high	69 Å²	69	70.9 Å²	70.9	57%	0.57	36%	0.356	S	S	*	.			trans	-76.5	144.2	170.2	0	0	0	0	0	110.5
219	M	98.8	Very high	97.9	Very high	45 Å²	45	74.6 Å²	74.6	22%	0.222	37%	0.372	C	S	.	.			trans	-116	0.5	178.5	-63.6	-58	-66.6	0	0	113.4	D221 A222 V282 I283 R286	M219-D221 PolarHBondContact O-N 3.44Å; M219-D221 VanDerWaalsContact O-N 3.11Å; M219-A222 HydrophobicContact CB-CB 4.5Å; M219-A222 HydrophobicContact CE-CB 3.62Å; M219-A222 WeakPolarHBondContact O-CB 3.2Å; M219-A222 PolarHBondContact O-N 3.36Å; M219-V282 HydrophobicContact CE-CG1 3.98Å; M219-I283 HydrophobicContact CE-CB 4.28Å; M219-I283 HydrophobicContact CE-CG1 3.72Å; M219-I283 HydrophobicContact SD-CG1 4.41Å; M219-R286 HydrophobicContact CE-CB 4.05Å; M219-R286 HydrophobicContact CE-CG 3.9Å; M219-R286 HydrophobicContact SD-CB 3.75Å; M219-R286 HydrophobicContact SD-CG 4.19Å
220	S	98.5	Very high	97.7	Very high	121 Å²	121	76.9 Å²	76.9	85%	0.846	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.9	-179.2	52.1	0	0	0	0	114.2
221	D	98.3	Very high	97.6	Very high	93 Å²	93	70.9 Å²	70.9	50%	0.497	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	21	177.3	74.5	-15.7	0	0	0	112.2	M219 Y223 R286	M219-D221 PolarHBondContact O-N 3.44Å; M219-D221 VanDerWaalsContact O-N 3.11Å; D221-Y223 VanDerWaalsContact C-N 3.26Å; D221-Y223 PolarHBondContact O-N 3.23Å; D221-R286 IonicContact OD1-CZ 2.72Å; D221-R286 IonicContact OD1-NE 3.52Å; D221-R286 IonicContact OD1-NH2 3.42Å; D221-R286 PolarHBondContact OD1-NH2 3.11Å; D221-R286 IonicContact OD2-NH2 3.55Å; D221-R286 PolarHBondContact OD2-NH2 3.15Å
222	A	98.8	Very high	97.4	Very high	3 Å²	3	66.5 Å²	66.5	3%	0.025	34%	0.34	C	S	.	.			trans	-57	-37.2	-170.1	0	0	0	0	0	113.5	M219 V282 R286 V292	M219-A222 HydrophobicContact CB-CB 4.5Å; M219-A222 HydrophobicContact CE-CB 3.62Å; M219-A222 WeakPolarHBondContact O-CB 3.2Å; M219-A222 PolarHBondContact O-N 3.36Å; A222-V282 HydrophobicContact CB-CG1 4.08Å; A222-R286 HydrophobicContact CB-CG 4.01Å; A222-R286 WeakPolarHBondContact O-CD 3.38Å; A222-V292 WeakPolarHBondContact O-CB 3.41Å
223	Y	98.8	Very high	97.1	Very high	8 Å²	8	69 Å²	69	3%	0.031	36%	0.356	C	S	.	.	S	Bend	trans	-104.3	114.1	179.9	-58.7	-85.6	0	0	0	110.8	I189 R190 H192 D221 R225 R228 V282 V292	I189-Y223 HydrophobicContact CB-CD1 4.1Å; I189-Y223 HydrophobicContact CB-CE1 3.84Å; I189-Y223 HydrophobicContact CG2-CD1 3.98Å; I189-Y223 HydrophobicContact CG2-CD2 4.23Å; I189-Y223 HydrophobicContact CG2-CE1 3.46Å; I189-Y223 VanDerWaalsContact CG2-CE1 3.46Å; I189-Y223 HydrophobicContact CG2-CE2 3.75Å; I189-Y223 HydrophobicContact CG2-CG 4.33Å; I189-Y223 WeakPolarHBondContact O-CB 3.4Å; I189-Y223 WeakPolarHBondContact O-CD1 3.5Å; I189-Y223 VanDerWaalsContact O-CG 3.31Å; R190-Y223 WeakPolarHBondContact O-CD2 3.36Å; H192-Y223 HydrophobicContact CB-CE2 4.18Å; H192-Y223 AromaticContact ND1-CE2 3.31Å; H192-Y223 VanDerWaalsContact ND1-CE2 3.31Å; H192-Y223 WeakPolarHBondContact ND1-CE2 3.39Å; H192-Y223 AromaticContact ND1-CZ 3.49Å; H192-Y223 PolarHBondContact ND1-OH 3.2Å; D221-Y223 VanDerWaalsContact C-N 3.26Å; D221-Y223 PolarHBondContact O-N 3.23Å; Y223-R225 PolarHBondContact O-N 3.28Å; Y223-R225 VanDerWaalsContact O-N 3.14Å; Y223-R228 PolarHBondContact O-NE 2.97Å; Y223-V282 HydrophobicContact CE1-CG1 4.22Å; Y223-V282 HydrophobicContact CE1-CG2 4.01Å; Y223-V282 HydrophobicContact CE2-CG1 4.49Å; Y223-V292 HydrophobicContact CD1-CG1 4.31Å; Y223-V292 HydrophobicContact CE1-CG1 4.42Å
224	D	98.3	Very high	96.7	Very high	38 Å²	38	68.6 Å²	68.6	20%	0.203	35%	0.351	C	S	.	.			trans	-57.6	116.5	-170.2	-175.6	-76.2	0	0	0	111.9	N226 M227 R228 R291 V292	D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 PolarHBondContact O-N 3.31Å; D224-N226 WeakPolarHBondContact OD1-CA 3.35Å; D224-N226 WeakPolarHBondContact OD1-CB 3.24Å; D224-N226 PolarHBondContact OD1-N 2.98Å; D224-M227 HydrophobicContact CB-CB 4.14Å; D224-M227 HydrophobicContact CB-CG 4.18Å; D224-M227 HydrophobicContact CB-SD 4.49Å; D224-M227 PolarHBondContact O-N 2.83Å; D224-M227 PolarHBondContact OD1-N 3.23Å; D224-R228 WeakPolarHBondContact O-CG 3.37Å; D224-R228 PolarHBondContact O-N 2.86Å; D224-R291 HydrophobicContact CB-CG 3.68Å; D224-R291 WeakPolarHBondContact OD2-CD 3.37Å; D224-R291 WeakPolarHBondContact OD2-CG 3.45Å; D224-R291 IonicContact OD2-NE 3.8Å; D224-V292 WeakPolarHBondContact CB-O 3.46Å; D224-V292 PolarHBondContact N-O 3.17Å
225	R	97.6	Very high	96.4	Very high	196 Å²	196	64.8 Å²	64.8	74%	0.74	33%	0.327	S	S	*	.	H	α-helix	trans	-61.2	-38.1	-177.1	-176.9	-179.9	179.6	-177.7	0.5	112.5	Y223 R228 Q229	Y223-R225 PolarHBondContact O-N 3.28Å; Y223-R225 VanDerWaalsContact O-N 3.14Å; R225-R228 PolarHBondContact O-N 3.24Å; R225-Q229 PolarHBondContact O-N 3.16Å
226	N	96.1	Very high	96.1	Very high	111 Å²	111	67.9 Å²	67.9	59%	0.594	34%	0.344	S	S	*	.	H	α-helix	trans	-71.6	-40.1	-176.8	-67.1	-33.7	0	0	0	110.8	D224 Q229 K230	D224-N226 VanDerWaalsContact C-N 3.3Å; D224-N226 PolarHBondContact O-N 3.31Å; D224-N226 WeakPolarHBondContact OD1-CA 3.35Å; D224-N226 WeakPolarHBondContact OD1-CB 3.24Å; D224-N226 PolarHBondContact OD1-N 2.98Å; N226-Q229 PolarHBondContact O-N 3.34Å; N226-K230 WeakPolarHBondContact O-CB 3.48Å; N226-K230 VanDerWaalsContact O-CG 3.3Å; N226-K230 WeakPolarHBondContact O-CG 3.34Å; N226-K230 PolarHBondContact O-N 3.06Å
227	M	95.5	Very high	95.6	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-64	-41.8	173.6	-71.4	-166.9	67.6	0	0	111.9	T167 D224 Q229 K230 A231 R291 F293 L335 I339	T167-M227 HydrophobicContact CG2-CE 4.18Å; T167-M227 HydrophobicContact CG2-SD 3.91Å; D224-M227 HydrophobicContact CB-CB 4.14Å; D224-M227 HydrophobicContact CB-CG 4.18Å; D224-M227 HydrophobicContact CB-SD 4.49Å; D224-M227 PolarHBondContact O-N 2.83Å; D224-M227 PolarHBondContact OD1-N 3.23Å; M227-Q229 PolarHBondContact O-N 3.37Å; M227-K230 PolarHBondContact O-N 2.89Å; M227-A231 WeakPolarHBondContact O-CB 3.29Å; M227-A231 PolarHBondContact O-N 3.41Å; M227-R291 WeakPolarHBondContact SD-CD 3.48Å; M227-R291 HydrophobicContact SD-CG 3.93Å; M227-F293 HydrophobicContact CB-CB 4.2Å; M227-F293 HydrophobicContact CB-CD2 3.76Å; M227-F293 HydrophobicContact CB-CG 4.29Å; M227-F293 HydrophobicContact CE-CB 3.5Å; M227-F293 VanDerWaalsContact CE-CB 3.5Å; M227-F293 HydrophobicContact CE-CD1 4.44Å; M227-F293 HydrophobicContact CE-CD2 4.43Å; M227-F293 HydrophobicContact CE-CG 3.9Å; M227-F293 HydrophobicContact SD-CB 3.81Å; M227-L335 HydrophobicContact CE-CD1 4.42Å; M227-L335 HydrophobicContact CE-CD2 4.29Å; M227-L335 HydrophobicContact CE-CG 4.32Å; M227-I339 HydrophobicContact CE-CD1 3.99Å; M227-I339 HydrophobicContact CE-CG1 3.62Å; M227-I339 HydrophobicContact SD-CG1 4.49Å
228	R	96.8	Very high	95.1	Very high	39 Å²	39	66.6 Å²	66.6	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-44.9	174.1	-70.9	-175.3	-64	108.6	-6.3	112.1	L188 Y223 D224 R225 K230 A231 L232 E246 F293	L188-R228 HydrophobicContact CD1-CB 4.37Å; Y223-R228 PolarHBondContact O-NE 2.97Å; D224-R228 WeakPolarHBondContact O-CG 3.37Å; D224-R228 PolarHBondContact O-N 2.86Å; R225-R228 PolarHBondContact O-N 3.24Å; R228-K230 PolarHBondContact O-N 3.37Å; R228-A231 WeakPolarHBondContact O-CB 3.36Å; R228-A231 PolarHBondContact O-N 2.93Å; R228-L232 WeakPolarHBondContact O-CG 3.32Å; R228-L232 PolarHBondContact O-N 2.76Å; R228-E246 WeakPolarHBondContact CD-OE1 3.48Å; R228-E246 IonicContact CZ-OE1 3.68Å; R228-E246 IonicContact NE-OE1 2.68Å; R228-E246 IonicContact NH1-OE1 2.76Å; R228-E246 PolarHBondContact NH1-OE1 3.3Å; R228-F293 HydrophobicContact CG-CD2 4.29Å; R228-F293 HydrophobicContact CG-CE2 4.3Å
229	Q	95.9	Very high	94.6	Very high	114 Å²	114	66.3 Å²	66.3	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-40.8	177	-173.7	58.4	70.6	0	0	112.4	R225 N226 M227 L232 T233	R225-Q229 PolarHBondContact O-N 3.16Å; N226-Q229 PolarHBondContact O-N 3.34Å; M227-Q229 PolarHBondContact O-N 3.37Å; Q229-L232 PolarHBondContact O-N 3.04Å; Q229-T233 PolarHBondContact O-N 2.86Å; Q229-T233 VanDerWaalsContact O-N 3.12Å; Q229-T233 PolarHBondContact O-OG1 3.36Å; Q229-T233 VanDerWaalsContact O-OG1 3.14Å
230	K	94.4	Very high	94	Very high	86 Å²	86	67.3 Å²	67.3	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-40.3	175.5	-75.6	170.2	168.5	-172	0	111.9	N226 M227 R228 T233 A234 S338	N226-K230 WeakPolarHBondContact O-CB 3.48Å; N226-K230 VanDerWaalsContact O-CG 3.3Å; N226-K230 WeakPolarHBondContact O-CG 3.34Å; N226-K230 PolarHBondContact O-N 3.06Å; M227-K230 PolarHBondContact O-N 2.89Å; R228-K230 PolarHBondContact O-N 3.37Å; K230-T233 PolarHBondContact O-N 2.83Å; K230-A234 WeakPolarHBondContact O-CB 3.43Å; K230-A234 PolarHBondContact O-N 3.21Å; K230-S338 WeakPolarHBondContact CD-O 3.09Å; K230-S338 PolarHBondContact NZ-O 3.34Å
231	A	94.3	Very high	93.3	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.8	-43.6	176.1	0	0	0	0	0	112.3	L188 M227 R228 T233 A234 W235 L244 F293 F331 L335	L188-A231 HydrophobicContact CD1-CB 3.91Å; L188-A231 HydrophobicContact CD2-CB 4.13Å; M227-A231 WeakPolarHBondContact O-CB 3.29Å; M227-A231 PolarHBondContact O-N 3.41Å; R228-A231 WeakPolarHBondContact O-CB 3.36Å; R228-A231 PolarHBondContact O-N 2.93Å; A231-T233 VanDerWaalsContact C-N 3.33Å; A231-T233 PolarHBondContact O-N 3.37Å; A231-A234 PolarHBondContact O-N 2.85Å; A231-W235 WeakPolarHBondContact O-CB 3.42Å; A231-W235 PolarHBondContact O-N 2.93Å; A231-L244 HydrophobicContact CB-CD2 4.46Å; A231-F293 HydrophobicContact CB-CE2 3.69Å; A231-F293 HydrophobicContact CB-CZ 3.7Å; A231-F331 HydrophobicContact CB-CE2 4.23Å; A231-F331 HydrophobicContact CB-CZ 3.94Å; A231-L335 HydrophobicContact CB-CD1 3.91Å
232	L	93.9	Very high	92.8	Very high	40 Å²	40	72 Å²	72	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-41.7	174.1	-71.3	166.1	0	0	0	111.9	L188 R228 Q229 K236 L244	L188-L232 HydrophobicContact CD1-CD2 4.23Å; L188-L232 HydrophobicContact CD1-CG 3.98Å; R228-L232 WeakPolarHBondContact O-CG 3.32Å; R228-L232 PolarHBondContact O-N 2.76Å; Q229-L232 PolarHBondContact O-N 3.04Å; L232-K236 WeakPolarHBondContact O-CG 3.39Å; L232-K236 PolarHBondContact O-N 3.16Å; L232-L244 HydrophobicContact CD2-CB 4.31Å; L232-L244 HydrophobicContact CD2-CD2 4.12Å
233	T	92.3	Very high	92.6	Very high	66 Å²	66	79.2 Å²	79.2	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-66.5	-46.2	176.5	-59.6	0	0	0	0	111.7	Q229 K230 A231 W235 K236 Q237	Q229-T233 PolarHBondContact O-N 2.86Å; Q229-T233 VanDerWaalsContact O-N 3.12Å; Q229-T233 PolarHBondContact O-OG1 3.36Å; Q229-T233 VanDerWaalsContact O-OG1 3.14Å; K230-T233 PolarHBondContact O-N 2.83Å; A231-T233 VanDerWaalsContact C-N 3.33Å; A231-T233 PolarHBondContact O-N 3.37Å; T233-W235 VanDerWaalsContact C-N 3.3Å; T233-W235 PolarHBondContact O-N 3.13Å; T233-K236 PolarHBondContact O-N 3.1Å; T233-Q237 WeakPolarHBondContact O-CG 3.34Å; T233-Q237 PolarHBondContact O-N 3.31Å; T233-Q237 VanDerWaalsContact O-N 3.14Å
234	A	90.5	Very high	92.4	Very high	6 Å²	6	79.5 Å²	79.5	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-58.1	-42.9	177.4	0	0	0	0	0	111.6	K230 A231 K236 Q237 M238 I334	K230-A234 WeakPolarHBondContact O-CB 3.43Å; K230-A234 PolarHBondContact O-N 3.21Å; A231-A234 PolarHBondContact O-N 2.85Å; A234-K236 PolarHBondContact O-N 3.12Å; A234-Q237 WeakPolarHBondContact O-CB 3.38Å; A234-Q237 PolarHBondContact O-N 3.13Å; A234-M238 WeakPolarHBondContact O-CG 3.31Å; A234-M238 PolarHBondContact O-N 2.91Å; A234-M238 VanDerWaalsContact O-N 3.11Å; A234-I334 HydrophobicContact CB-CG2 3.57Å
235	W	92.7	Very high	92.4	Very high	9 Å²	9	79.9 Å²	79.9	3%	0.034	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-43.5	177.2	-173.7	-92.7	0	0	0	113.2	I186 A231 T233 Q237 M238 E240 R242 L244 K327 F331	I186-W235 HydrophobicContact CB-CH2 4.19Å; I186-W235 HydrophobicContact CB-CZ3 4.45Å; I186-W235 HydrophobicContact CD1-CH2 3.72Å; I186-W235 HydrophobicContact CD1-CZ3 3.63Å; I186-W235 HydrophobicContact CG1-CH2 4.28Å; A231-W235 WeakPolarHBondContact O-CB 3.42Å; A231-W235 PolarHBondContact O-N 2.93Å; T233-W235 VanDerWaalsContact C-N 3.3Å; T233-W235 PolarHBondContact O-N 3.13Å; W235-Q237 PolarHBondContact O-N 2.67Å; W235-M238 HydrophobicContact CE3-SD 4.28Å; W235-M238 WeakPolarHBondContact O-CB 3.45Å; W235-M238 PolarHBondContact O-N 3.07Å; W235-M238 VanDerWaalsContact O-N 3.11Å; W235-E240 HydrophobicContact CD2-CB 4.39Å; W235-E240 HydrophobicContact CD2-CG 4.27Å; W235-E240 HydrophobicContact CZ2-CB 4.07Å; W235-E240 HydrophobicContact CZ2-CG 4.18Å; W235-R242 WeakPolarHBondContact CZ2-O 3.28Å; W235-R242 PolarHBondContact NE1-O 2.79Å; W235-L244 HydrophobicContact CB-CB 4.08Å; W235-L244 HydrophobicContact CB-CD2 4Å; W235-L244 HydrophobicContact CD2-CB 3.8Å; W235-L244 HydrophobicContact CD2-CD1 3.97Å; W235-L244 HydrophobicContact CD2-CG 4.32Å; W235-L244 HydrophobicContact CE3-CB 4.47Å; W235-L244 HydrophobicContact CE3-CD1 3.78Å; W235-L244 HydrophobicContact CG-CB 3.61Å; W235-L244 HydrophobicContact CG-CD2 4.32Å; W235-L244 HydrophobicContact CG-CG 4.38Å; W235-L244 HydrophobicContact CH2-CD1 3.92Å; W235-L244 HydrophobicContact CZ2-CB 4.42Å; W235-L244 HydrophobicContact CZ2-CD1 4.27Å; W235-L244 HydrophobicContact CZ3-CD1 3.77Å; W235-K327 HydrophobicContact CH2-CD 4.33Å; W235-K327 VanDerWaalsContact CH2-NZ 3.34Å; W235-K327 VanDerWaalsContact CZ2-CE 3.47Å; W235-K327 VanDerWaalsContact CZ2-NZ 3.3Å; W235-F331 AromaticContact CE3-CD2 3.67Å; W235-F331 HydrophobicContact CE3-CD2 3.67Å; W235-F331 AromaticContact CE3-CE2 4Å; W235-F331 HydrophobicContact CE3-CE2 4Å; W235-F331 HydrophobicContact CE3-CG 4.25Å; W235-F331 HydrophobicContact CZ3-CD2 4.16Å; W235-F331 HydrophobicContact CZ3-CG 4.29Å
236	K	90.8	Very high	92.4	Very high	170 Å²	170	73.3 Å²	73.3	74%	0.739	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-35.5	175.3	-72.4	178.6	179.7	-175.5	0	111.9	L232 T233 A234 M238 G239	L232-K236 WeakPolarHBondContact O-CG 3.39Å; L232-K236 PolarHBondContact O-N 3.16Å; T233-K236 PolarHBondContact O-N 3.1Å; A234-K236 PolarHBondContact O-N 3.12Å; K236-M238 VanDerWaalsContact C-N 3.34Å; K236-G239 PolarHBondContact O-N 3.16Å
237	Q	88.3	Confident	92.6	Very high	151 Å²	151	68 Å²	68	71%	0.706	33%	0.332	S	S	*	.	H	α-helix	trans	-71.2	-27.3	177.3	-68.3	169.8	-11.7	0	0	113.1	T233 A234 W235 G239	T233-Q237 WeakPolarHBondContact O-CG 3.34Å; T233-Q237 PolarHBondContact O-N 3.31Å; T233-Q237 VanDerWaalsContact O-N 3.14Å; A234-Q237 WeakPolarHBondContact O-CB 3.38Å; A234-Q237 PolarHBondContact O-N 3.13Å; W235-Q237 PolarHBondContact O-N 2.67Å; Q237-G239 PolarHBondContact O-N 2.85Å
238	M	89.2	Confident	92.7	Very high	30 Å²	30	68.6 Å²	68.6	15%	0.148	34%	0.335	C	S	.	.	H	α-helix	trans	-67.8	-17.6	173.7	-67.6	171.6	60.1	0	0	112.9	A234 W235 K236 E240 Q330 F331 I334	A234-M238 WeakPolarHBondContact O-CG 3.31Å; A234-M238 PolarHBondContact O-N 2.91Å; A234-M238 VanDerWaalsContact O-N 3.11Å; W235-M238 HydrophobicContact CE3-SD 4.28Å; W235-M238 WeakPolarHBondContact O-CB 3.45Å; W235-M238 PolarHBondContact O-N 3.07Å; W235-M238 VanDerWaalsContact O-N 3.11Å; K236-M238 VanDerWaalsContact C-N 3.34Å; M238-E240 VanDerWaalsContact C-N 3.27Å; M238-E240 HydrophobicContact CB-CG 3.98Å; M238-E240 HydrophobicContact CE-CG 4.18Å; M238-E240 PolarHBondContact O-N 3.46Å; M238-Q330 HydrophobicContact CE-CB 4.12Å; M238-Q330 HydrophobicContact CE-CG 3.85Å; M238-F331 HydrophobicContact CE-CB 4.42Å; M238-F331 HydrophobicContact SD-CB 4.26Å; M238-F331 HydrophobicContact SD-CD2 4.22Å; M238-I334 HydrophobicContact CG-CD1 3.44Å; M238-I334 VanDerWaalsContact CG-CD1 3.44Å; M238-I334 HydrophobicContact SD-CD1 3.68Å
239	G	87.1	Confident	92.8	Very high	64 Å²	64	66.8 Å²	66.8	66%	0.66	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	23.6	179.7	0	0	0	0	0	113.8	K236 Q237	K236-G239 PolarHBondContact O-N 3.16Å; Q237-G239 PolarHBondContact O-N 2.85Å
240	E	86.9	Confident	93	Very high	65 Å²	65	61.3 Å²	61.3	30%	0.304	30%	0.303	S	S	.	.			trans	-62.4	136.3	178.7	-71.6	-67.5	150.1	0	0	111.5	W235 M238 K327	W235-E240 HydrophobicContact CD2-CB 4.39Å; W235-E240 HydrophobicContact CD2-CG 4.27Å; W235-E240 HydrophobicContact CZ2-CB 4.07Å; W235-E240 HydrophobicContact CZ2-CG 4.18Å; M238-E240 VanDerWaalsContact C-N 3.27Å; M238-E240 HydrophobicContact CB-CG 3.98Å; M238-E240 HydrophobicContact CE-CG 4.18Å; M238-E240 PolarHBondContact O-N 3.46Å; E240-K327 VanDerWaalsContact OE2-CE 3.26Å; E240-K327 WeakPolarHBondContact OE2-CE 3.32Å; E240-K327 IonicContact OE2-NZ 3.67Å; E240-K327 PolarHBondContact OE2-NZ 3.11Å
241	Q	83.8	Confident	93.2	Very high	198 Å²	198	57.4 Å²	57.4	93%	0.925	29%	0.286	S	S	*	.	S	Bend	trans	-69.7	-33.8	-179.7	-67.1	-174.9	-8.4	0	0	112.8
242	R	87.8	Confident	93.4	Very high	114 Å²	114	59.2 Å²	59.2	43%	0.43	30%	0.296	S	S	.	.	S	Bend	trans	-89.4	136.2	174.9	-73.8	-162.1	171.5	176.1	-1.1	109.9	V183 D185 W235	V183-R242 PolarHBondContact O-NH1 3.38Å; V183-R242 VanDerWaalsContact O-NH1 3.13Å; D185-R242 WeakPolarHBondContact OD1-CD 3.46Å; D185-R242 IonicContact OD1-CZ 3.04Å; D185-R242 IonicContact OD1-NE 3.96Å; D185-R242 IonicContact OD1-NH1 3.79Å; D185-R242 PolarHBondContact OD1-NH1 3.24Å; W235-R242 WeakPolarHBondContact CZ2-O 3.28Å; W235-R242 PolarHBondContact NE1-O 2.79Å
243	E	92.8	Very high	93.5	Very high	155 Å²	155	59.6 Å²	59.6	72%	0.724	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-67.7	151.3	174.4	-61.9	-164.3	150.6	0	0	111.4
244	L	95.5	Very high	93.7	Very high	15 Å²	15	57.8 Å²	57.8	8%	0.079	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-75	125.3	170.3	-171.2	66.8	0	0	0	108.3	I186 L188 A231 L232 W235 F331	I186-L244 HydrophobicContact CB-CD1 3.75Å; I186-L244 HydrophobicContact CG2-CD1 3.67Å; I186-L244 WeakPolarHBondContact O-CD1 3.23Å; L188-L244 HydrophobicContact CD1-CD2 3.64Å; L188-L244 HydrophobicContact CD1-CG 4.36Å; L188-L244 HydrophobicContact CD2-CD2 3.91Å; L188-L244 HydrophobicContact CD2-CG 4.42Å; L188-L244 HydrophobicContact CG-CD2 3.65Å; L188-L244 HydrophobicContact CG-CG 3.97Å; A231-L244 HydrophobicContact CB-CD2 4.46Å; L232-L244 HydrophobicContact CD2-CB 4.31Å; L232-L244 HydrophobicContact CD2-CD2 4.12Å; W235-L244 HydrophobicContact CB-CB 4.08Å; W235-L244 HydrophobicContact CB-CD2 4Å; W235-L244 HydrophobicContact CD2-CB 3.8Å; W235-L244 HydrophobicContact CD2-CD1 3.97Å; W235-L244 HydrophobicContact CD2-CG 4.32Å; W235-L244 HydrophobicContact CE3-CB 4.47Å; W235-L244 HydrophobicContact CE3-CD1 3.78Å; W235-L244 HydrophobicContact CG-CB 3.61Å; W235-L244 HydrophobicContact CG-CD2 4.32Å; W235-L244 HydrophobicContact CG-CG 4.38Å; W235-L244 HydrophobicContact CH2-CD1 3.92Å; W235-L244 HydrophobicContact CZ2-CB 4.42Å; W235-L244 HydrophobicContact CZ2-CD1 4.27Å; W235-L244 HydrophobicContact CZ3-CD1 3.77Å; L244-F331 HydrophobicContact CD1-CZ 4.26Å; L244-F331 HydrophobicContact CD2-CE2 4.04Å; L244-F331 HydrophobicContact CD2-CZ 3.96Å
245	Q	98.1	Very high	94	Very high	45 Å²	45	61.8 Å²	61.8	21%	0.21	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	159.4	179.9	-54.6	-60.5	-20.9	0	0	110.3	F181 D185 I186 M187 L188	F181-Q245 HydrophobicContact CD1-CB 4.07Å; F181-Q245 HydrophobicContact CD1-CG 3.66Å; F181-Q245 HydrophobicContact CE1-CB 3.56Å; F181-Q245 HydrophobicContact CE1-CG 3.66Å; F181-Q245 HydrophobicContact CG-CG 4.4Å; F181-Q245 HydrophobicContact CZ-CB 3.85Å; F181-Q245 HydrophobicContact CZ-CG 4.37Å; D185-Q245 HydrophobicContact CB-CG 4.05Å; I186-Q245 WeakPolarHBondContact O-CB 3.23Å; I186-Q245 PolarHBondContact O-N 3.24Å; M187-Q245 CarbonylContact C-O 3.57Å; M187-Q245 WeakPolarHBondContact CA-O 3.26Å; M187-Q245 HydrophobicContact CB-CB 4.07Å; M187-Q245 HydrophobicContact CG-CB 4.18Å; L188-Q245 PolarHBondContact N-O 3.07Å
246	E	98.6	Very high	94.1	Very high	59 Å²	59	66.6 Å²	66.6	28%	0.276	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	132.9	172.9	-177.5	175	-132.8	0	0	109.6	L188 R190 R228	L188-E246 HydrophobicContact CB-CB 4.23Å; L188-E246 HydrophobicContact CB-CG 4.13Å; L188-E246 WeakPolarHBondContact O-CA 3.25Å; R190-E246 HydrophobicContact CB-CG 3.74Å; R228-E246 WeakPolarHBondContact CD-OE1 3.48Å; R228-E246 IonicContact CZ-OE1 3.68Å; R228-E246 IonicContact NE-OE1 2.68Å; R228-E246 IonicContact NH1-OE1 2.76Å; R228-E246 PolarHBondContact NH1-OE1 3.3Å
247	G	98.7	Very high	94.4	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	-173.8	-173.3	0	0	0	0	0	115.2	L188 R190 D272	L188-G247 PolarHBondContact O-N 2.96Å; R190-G247 PolarHBondContact N-O 2.87Å; G247-D272 WeakPolarHBondContact CA-OD2 3.3Å
248	T	98.9	Very high	94.9	Very high	15 Å²	15	56.3 Å²	56.3	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	124.6	178.4	-57.3	0	0	0	0	110.5	D191 I193 D272 A273	D191-T248 HydrophobicContact CB-CG2 4.47Å; D191-T248 WeakPolarHBondContact O-CA 3.45Å; I193-T248 HydrophobicContact CD1-CG2 4.21Å; I193-T248 HydrophobicContact CG1-CG2 3.91Å; T248-D272 PolarHBondContact N-OD2 3.28Å; T248-D272 PolarHBondContact O-N 3.41Å; T248-A273 PolarHBondContact O-N 3.06Å
249	Y	98.9	Very high	95.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.2	175.8	173.4	-88.3	0	0	0	111	A174 I189 D191 H192 I193 M251 A273 G275 M276 S277 V279	A174-Y249 HydrophobicContact CB-CD2 4.4Å; A174-Y249 HydrophobicContact CB-CE2 4.17Å; I189-Y249 HydrophobicContact CD1-CG 4.45Å; D191-Y249 PolarHBondContact O-N 2.91Å; H192-Y249 CarbonylContact C-O 3.49Å; H192-Y249 WeakPolarHBondContact CA-O 3.25Å; H192-Y249 VanDerWaalsContact CB-O 3.24Å; H192-Y249 WeakPolarHBondContact CB-O 3.24Å; I193-Y249 PolarHBondContact N-O 3.09Å; Y249-M251 HydrophobicContact CE1-CB 4.1Å; Y249-A273 CarbonylContact C-O 3.49Å; Y249-A273 WeakPolarHBondContact CA-O 3.42Å; Y249-G275 VanDerWaalsContact OH-CA 3.24Å; Y249-G275 WeakPolarHBondContact OH-CA 3.45Å; Y249-M276 PolarHBondContact OH-N 3.41Å; Y249-S277 WeakPolarHBondContact CE1-O 3.39Å; Y249-S277 PolarHBondContact OH-N 2.96Å; Y249-S277 VanDerWaalsContact OH-N 3.13Å; Y249-S277 PolarHBondContact OH-O 2.79Å; Y249-V279 HydrophobicContact CD1-CG2 3.83Å; Y249-V279 HydrophobicContact CE1-CG2 3.85Å
250	V	98.9	Very high	95.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.8	172.1	63.1	0	0	0	0	110.9	L177 I193 L195 L266 A271 A273 V274 G275	L177-V250 HydrophobicContact CD1-CG1 4.11Å; I193-V250 HydrophobicContact CB-CB 4.09Å; I193-V250 HydrophobicContact CB-CG2 3.84Å; I193-V250 HydrophobicContact CG2-CG2 4.01Å; L195-V250 HydrophobicContact CD1-CG2 3.66Å; L195-V250 HydrophobicContact CG-CG2 3.8Å; V250-L266 HydrophobicContact CG1-CB 4.35Å; V250-L266 HydrophobicContact CG1-CD1 4.21Å; V250-L266 HydrophobicContact CG1-CD2 4.1Å; V250-L266 HydrophobicContact CG1-CG 4.45Å; V250-L266 HydrophobicContact CG2-CD2 4.01Å; V250-A271 HydrophobicContact CB-CB 3.74Å; V250-A271 HydrophobicContact CG1-CB 3.46Å; V250-A271 VanDerWaalsContact CG1-CB 3.46Å; V250-A273 PolarHBondContact N-O 2.7Å; V250-V274 HydrophobicContact CG1-CB 3.76Å; V250-V274 HydrophobicContact CG1-CG2 3.9Å; V250-V274 WeakPolarHBondContact O-CA 3.27Å; V250-G275 PolarHBondContact O-N 3.46Å
251	M	98.8	Very high	96.4	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131	172.9	-177.9	-171.5	178.1	0	0	110.4	I193 P196 Y249 G275 V279 P280	I193-M251 PolarHBondContact O-N 2.88Å; I193-M251 VanDerWaalsContact O-N 3.08Å; P196-M251 VanDerWaalsContact CD-O 3.32Å; P196-M251 WeakPolarHBondContact CD-O 3.49Å; P196-M251 HydrophobicContact CG-CE 4.35Å; P196-M251 HydrophobicContact CG-CG 4.31Å; P196-M251 HydrophobicContact CG-SD 4.13Å; Y249-M251 HydrophobicContact CE1-CB 4.1Å; M251-G275 CarbonylContact C-O 3.39Å; M251-G275 WeakPolarHBondContact CA-O 3.41Å; M251-V279 HydrophobicContact CB-CB 3.98Å; M251-V279 HydrophobicContact CB-CG2 3.77Å; M251-V279 HydrophobicContact SD-CB 3.95Å; M251-P280 HydrophobicContact CE-CG 3.8Å; M251-P280 WeakPolarHBondContact SD-CD 3.46Å; M251-P280 HydrophobicContact SD-CG 3.69Å
252	L	98.6	Very high	97.1	Very high	39 Å²	39	50.3 Å²	50.3	20%	0.204	27%	0.274	C	S	.	.			trans	-108	163.8	158.9	-62.5	-177.8	0	0	0	110.7	L195 E258 L266 V274 G275 M276	L195-L252 HydrophobicContact CD1-CD2 3.63Å; L252-E258 HydrophobicContact CD1-CG 3.66Å; L252-L266 HydrophobicContact CD1-CD1 4.07Å; L252-L266 HydrophobicContact CD2-CD2 4.32Å; L252-V274 HydrophobicContact CD1-CG2 3.75Å; L252-V274 HydrophobicContact CG-CG2 3.83Å; L252-G275 PolarHBondContact N-O 3.16Å; L252-M276 VanDerWaalsContact O-CA 3.32Å; L252-M276 WeakPolarHBondContact O-CA 3.29Å
253	A	97.3	Very high	97.5	Very high	48 Å²	48	44.9 Å²	44.9	40%	0.397	25%	0.254	S	S	.	.			trans	-80.3	-30.1	176.5	0	0	0	0	0	113.3	Y145	Y145-A253 WeakPolarHBondContact CB-O 3.33Å
254	G	95.9	Very high	97.8	Very high	27 Å²	27	42.4 Å²	42.4	28%	0.278	24%	0.238	S	C	.	.			trans	74.5	-167	-175.5	0	0	0	0	0	114
255	P	95.6	Very high	98	Very high	90 Å²	90	46.2 Å²	46.2	58%	0.584	26%	0.258	S	S	*	.	S	Bend	cis	-92.5	-10.2	5	33.9	-34.3	0	0	0	115	Y145	Y145-P255 HydrophobicContact CD2-CB 4.3Å; Y145-P255 HydrophobicContact CG-CB 4.08Å
256	N	96.7	Very high	98	Very high	110 Å²	110	44.3 Å²	44.3	59%	0.588	25%	0.249	S	C	*	.	S	Bend	trans	-69.6	145.3	177.2	66.8	93.2	0	0	0	110.2	M276	N256-M276 WeakPolarHBondContact O-CE 3.49Å
257	F	96.6	Very high	97.9	Very high	75 Å²	75	47.1 Å²	47.1	33%	0.329	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-71.9	162.6	170.1	-68.4	-70.8	0	0	0	110.8	M276 A312	F257-M276 HydrophobicContact CD1-CE 4.17Å; F257-M276 HydrophobicContact CE1-CE 4.47Å; F257-A312 HydrophobicContact CB-CB 4.03Å; F257-A312 HydrophobicContact CD1-CB 3.97Å; F257-A312 HydrophobicContact CD2-CB 3.73Å; F257-A312 HydrophobicContact CE1-CB 4.34Å; F257-A312 HydrophobicContact CE2-CB 4.13Å; F257-A312 HydrophobicContact CG-CB 3.64Å; F257-A312 HydrophobicContact CZ-CB 4.42Å
258	E	97.9	Very high	97.9	Very high	31 Å²	31	54.9 Å²	54.9	15%	0.145	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.6	141.7	-173	-52.9	74.1	-155.6	0	0	111.9	L252 E262 S263 L266 V274	L252-E258 HydrophobicContact CD1-CG 3.66Å; E258-E262 HydrophobicContact CB-CB 4.22Å; E258-S263 WeakPolarHBondContact CB-OG 3.4Å; E258-L266 HydrophobicContact CG-CD1 4.1Å; E258-V274 HydrophobicContact CG-CG1 4.44Å; E258-V274 HydrophobicContact CG-CG2 4.36Å; E258-V274 VanDerWaalsContact OE1-CG2 3.28Å; E258-V274 WeakPolarHBondContact OE1-CG2 3.46Å
259	T	97.9	Very high	97.9	Very high	73 Å²	73	58.5 Å²	58.5	45%	0.448	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-71.9	159.6	162.3	65.2	0	0	0	0	110.7	A261 E262 S263	T259-A261 PolarHBondContact O-N 2.79Å; T259-A261 VanDerWaalsContact O-N 3.12Å; T259-E262 WeakPolarHBondContact CB-OE2 3.48Å; T259-E262 WeakPolarHBondContact CG2-OE2 3.38Å; T259-E262 PolarHBondContact N-OE2 3.35Å; T259-E262 PolarHBondContact O-N 3.17Å; T259-E262 VanDerWaalsContact O-N 3.09Å; T259-E262 VanDerWaalsContact OG1-CD 3.23Å; T259-E262 WeakPolarHBondContact OG1-CG 3.36Å; T259-E262 PolarHBondContact OG1-N 3.07Å; T259-E262 PolarHBondContact OG1-OE2 3.31Å; T259-S263 PolarHBondContact O-N 3.18Å; T259-S263 PolarHBondContact O-OG 3.32Å
260	V	97.9	Very high	97.9	Very high	21 Å²	21	60.5 Å²	60.5	13%	0.127	33%	0.334	C	S	.	.	H	α-helix	trans	-52.8	-37.7	175.7	171.1	0	0	0	0	112.7	R264 V303 M304 Y306	V260-R264 VanDerWaalsContact O-CG 3.26Å; V260-R264 WeakPolarHBondContact O-CG 3.41Å; V260-R264 PolarHBondContact O-N 2.98Å; V260-R264 VanDerWaalsContact O-N 3.09Å; V260-V303 HydrophobicContact CG2-CG1 4.09Å; V260-M304 WeakPolarHBondContact CG1-O 3.44Å; V260-Y306 HydrophobicContact CB-CD1 3.99Å; V260-Y306 HydrophobicContact CB-CE1 3.61Å; V260-Y306 HydrophobicContact CG1-CD1 3.99Å; V260-Y306 HydrophobicContact CG1-CD2 4.16Å; V260-Y306 HydrophobicContact CG1-CE1 3.69Å; V260-Y306 HydrophobicContact CG1-CE2 3.88Å; V260-Y306 HydrophobicContact CG1-CG 4.21Å; V260-Y306 HydrophobicContact CG2-CD1 4.05Å; V260-Y306 HydrophobicContact CG2-CE1 4.15Å
261	A	98.4	Very high	97.9	Very high	54 Å²	54	60.7 Å²	60.7	45%	0.446	34%	0.335	S	S	.	.	H	α-helix	trans	-69.7	-43	-180	0	0	0	0	0	111.9	T259 R264 L265	T259-A261 PolarHBondContact O-N 2.79Å; T259-A261 VanDerWaalsContact O-N 3.12Å; A261-R264 PolarHBondContact O-N 3.37Å; A261-L265 PolarHBondContact O-N 2.94Å
262	E	98.6	Very high	97.9	Very high	82 Å²	82	61.8 Å²	61.8	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-46.3	175.3	-71.3	159.3	155.7	0	0	110.6	E258 T259 R264 L265 L266	E258-E262 HydrophobicContact CB-CB 4.22Å; T259-E262 WeakPolarHBondContact CB-OE2 3.48Å; T259-E262 WeakPolarHBondContact CG2-OE2 3.38Å; T259-E262 PolarHBondContact N-OE2 3.35Å; T259-E262 PolarHBondContact O-N 3.17Å; T259-E262 VanDerWaalsContact O-N 3.09Å; T259-E262 VanDerWaalsContact OG1-CD 3.23Å; T259-E262 WeakPolarHBondContact OG1-CG 3.36Å; T259-E262 PolarHBondContact OG1-N 3.07Å; T259-E262 PolarHBondContact OG1-OE2 3.31Å; E262-R264 VanDerWaalsContact C-N 3.31Å; E262-R264 PolarHBondContact O-N 3.23Å; E262-L265 WeakPolarHBondContact O-CA 3.23Å; E262-L265 WeakPolarHBondContact O-CB 3.48Å; E262-L265 PolarHBondContact O-N 3.5Å; E262-L266 VanDerWaalsContact O-CG 3.29Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 2.95Å
263	S	98.1	Very high	97.9	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-55.7	-44.6	176.6	-53.2	0	0	0	0	112.6	E258 T259 L266 R267 V302 V303	E258-S263 WeakPolarHBondContact CB-OG 3.4Å; T259-S263 PolarHBondContact O-N 3.18Å; T259-S263 PolarHBondContact O-OG 3.32Å; S263-L266 PolarHBondContact O-N 3.37Å; S263-R267 WeakPolarHBondContact O-CB 3.48Å; S263-R267 PolarHBondContact O-N 2.96Å; S263-R267 VanDerWaalsContact O-N 3.07Å; S263-V302 VanDerWaalsContact CB-CG1 3.43Å; S263-V302 WeakPolarHBondContact OG-CG1 3.46Å; S263-V303 PolarHBondContact OG-O 2.87Å
264	R	98.3	Very high	97.9	Very high	104 Å²	104	57.8 Å²	57.8	39%	0.392	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-43.1	175.6	-73.6	171.7	-179.6	-172	0.3	111.8	V260 A261 E262 R267 M268 M304	V260-R264 VanDerWaalsContact O-CG 3.26Å; V260-R264 WeakPolarHBondContact O-CG 3.41Å; V260-R264 PolarHBondContact O-N 2.98Å; V260-R264 VanDerWaalsContact O-N 3.09Å; A261-R264 PolarHBondContact O-N 3.37Å; E262-R264 VanDerWaalsContact C-N 3.31Å; E262-R264 PolarHBondContact O-N 3.23Å; R264-R267 PolarHBondContact O-N 3.23Å; R264-M268 WeakPolarHBondContact O-CG 3.36Å; R264-M268 PolarHBondContact O-N 3.15Å; R264-M304 VanDerWaalsContact CZ-O 3.28Å; R264-M304 PolarHBondContact NE-O 2.89Å; R264-M304 PolarHBondContact NH2-O 3.45Å
265	L	98.6	Very high	98.1	Very high	95 Å²	95	56.8 Å²	56.8	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-50.4	176.3	173.5	64.4	0	0	0	111.1	A261 E262 R267 M268 L269	A261-L265 PolarHBondContact O-N 2.94Å; E262-L265 WeakPolarHBondContact O-CA 3.23Å; E262-L265 WeakPolarHBondContact O-CB 3.48Å; E262-L265 PolarHBondContact O-N 3.5Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.45Å; L265-M268 WeakPolarHBondContact O-CA 3.42Å; L265-M268 WeakPolarHBondContact O-CB 3.47Å; L265-M268 PolarHBondContact O-N 3.25Å; L265-L269 HydrophobicContact CD1-CD1 4.43Å; L265-L269 HydrophobicContact CD1-CG 4.35Å; L265-L269 HydrophobicContact CG-CD1 4.27Å; L265-L269 WeakPolarHBondContact O-CG 3.39Å; L265-L269 PolarHBondContact O-N 3.28Å
266	L	98.6	Very high	98.2	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-41.2	-179.3	-64.2	174.7	0	0	0	111.8	L177 L195 V250 L252 E258 E262 S263 L269 G270 A271 V274	L177-L266 HydrophobicContact CD1-CB 3.67Å; L177-L266 HydrophobicContact CD1-CD1 4.41Å; L177-L266 HydrophobicContact CD2-CB 4.39Å; L195-L266 HydrophobicContact CD1-CD2 3.52Å; V250-L266 HydrophobicContact CG1-CB 4.35Å; V250-L266 HydrophobicContact CG1-CD1 4.21Å; V250-L266 HydrophobicContact CG1-CD2 4.1Å; V250-L266 HydrophobicContact CG1-CG 4.45Å; V250-L266 HydrophobicContact CG2-CD2 4.01Å; L252-L266 HydrophobicContact CD1-CD1 4.07Å; L252-L266 HydrophobicContact CD2-CD2 4.32Å; E258-L266 HydrophobicContact CG-CD1 4.1Å; E262-L266 VanDerWaalsContact O-CG 3.29Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 2.95Å; S263-L266 PolarHBondContact O-N 3.37Å; L266-L269 WeakPolarHBondContact O-CB 3.32Å; L266-L269 PolarHBondContact O-N 3.31Å; L266-G270 PolarHBondContact O-N 2.91Å; L266-A271 WeakPolarHBondContact O-CB 3.37Å; L266-A271 PolarHBondContact O-N 3.29Å; L266-A271 VanDerWaalsContact O-N 3.17Å; L266-V274 HydrophobicContact CD1-CB 4.23Å; L266-V274 HydrophobicContact CD1-CG2 3.85Å
267	R	97.6	Very high	98.2	Very high	117 Å²	117	49 Å²	49	44%	0.442	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-42.2	173.7	-176.7	176	171.9	-172.3	-4.3	112.2	S263 R264 L265 L269 G270 M304	S263-R267 WeakPolarHBondContact O-CB 3.48Å; S263-R267 PolarHBondContact O-N 2.96Å; S263-R267 VanDerWaalsContact O-N 3.07Å; R264-R267 PolarHBondContact O-N 3.23Å; L265-R267 VanDerWaalsContact C-N 3.29Å; L265-R267 PolarHBondContact O-N 3.45Å; R267-L269 PolarHBondContact O-N 3.35Å; R267-G270 PolarHBondContact O-N 2.9Å; R267-M304 HydrophobicContact CB-SD 4.44Å; R267-M304 VanDerWaalsContact CD-SD 3.59Å
268	M	98.3	Very high	98.3	Very high	163 Å²	163	45.5 Å²	45.5	80%	0.803	24%	0.242	S	C	*	.	H	α-helix	trans	-62.9	-30.3	175.3	-76.7	176.7	59.3	0	0	112.7	R264 L265 G270	R264-M268 WeakPolarHBondContact O-CG 3.36Å; R264-M268 PolarHBondContact O-N 3.15Å; L265-M268 WeakPolarHBondContact O-CA 3.42Å; L265-M268 WeakPolarHBondContact O-CB 3.47Å; L265-M268 PolarHBondContact O-N 3.25Å; M268-G270 PolarHBondContact O-N 3.02Å
269	L	98.3	Very high	98.4	Very high	92 Å²	92	44 Å²	44	48%	0.482	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-4.8	172.9	-65.7	174.1	0	0	0	113.3	I193 L265 L266 R267	I193-L269 HydrophobicContact CD1-CB 4.3Å; L265-L269 HydrophobicContact CD1-CD1 4.43Å; L265-L269 HydrophobicContact CD1-CG 4.35Å; L265-L269 HydrophobicContact CG-CD1 4.27Å; L265-L269 WeakPolarHBondContact O-CG 3.39Å; L265-L269 PolarHBondContact O-N 3.28Å; L266-L269 WeakPolarHBondContact O-CB 3.32Å; L266-L269 PolarHBondContact O-N 3.31Å; R267-L269 PolarHBondContact O-N 3.35Å
270	G	98.4	Very high	98.4	Very high	42 Å²	42	40.6 Å²	40.6	43%	0.433	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	88	19.1	178.1	0	0	0	0	0	114.5	L266 R267 M268	L266-G270 PolarHBondContact O-N 2.91Å; R267-G270 PolarHBondContact O-N 2.9Å; M268-G270 PolarHBondContact O-N 3.02Å
271	A	98.8	Very high	98.5	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	21%	0.208	C	C	.	.			trans	-80.5	138.9	171.2	0	0	0	0	0	111.5	L177 I193 V250 L266	L177-A271 HydrophobicContact CD1-CB 3.72Å; I193-A271 HydrophobicContact CD1-CB 4.4Å; V250-A271 HydrophobicContact CB-CB 3.74Å; V250-A271 HydrophobicContact CG1-CB 3.46Å; V250-A271 VanDerWaalsContact CG1-CB 3.46Å; L266-A271 WeakPolarHBondContact O-CB 3.37Å; L266-A271 PolarHBondContact O-N 3.29Å; L266-A271 VanDerWaalsContact O-N 3.17Å
272	D	98.8	Very high	98.5	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	-99.8	-30	178	-65.9	-70.3	0	0	0	112.2	L177 N178 F181 M187 G247 T248	L177-D272 WeakPolarHBondContact CB-O 3.44Å; L177-D272 PolarHBondContact N-O 3.5Å; N178-D272 HydrophobicContact CB-CB 4.14Å; N178-D272 PolarHBondContact N-O 3.49Å; N178-D272 PolarHBondContact ND2-OD1 3.47Å; F181-D272 HydrophobicContact CE2-CB 3.75Å; F181-D272 HydrophobicContact CZ-CB 4Å; M187-D272 HydrophobicContact SD-CB 3.83Å; G247-D272 WeakPolarHBondContact CA-OD2 3.3Å; T248-D272 PolarHBondContact N-OD2 3.28Å; T248-D272 PolarHBondContact O-N 3.41Å
273	A	98.8	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.1	175.4	0	0	0	0	0	111.1	A174 G175 M187 T248 Y249 V250 I298	A174-A273 HydrophobicContact CB-CB 3.9Å; G175-A273 CarbonylContact O-C 3.59Å; G175-A273 VanDerWaalsContact O-CA 3.27Å; G175-A273 WeakPolarHBondContact O-CA 3.43Å; M187-A273 HydrophobicContact CE-CB 3.62Å; M187-A273 HydrophobicContact SD-CB 3.82Å; T248-A273 PolarHBondContact O-N 3.06Å; Y249-A273 CarbonylContact C-O 3.49Å; Y249-A273 WeakPolarHBondContact CA-O 3.42Å; V250-A273 PolarHBondContact N-O 2.7Å; A273-I298 HydrophobicContact CB-CD1 3.93Å
274	V	98.8	Very high	98.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.2	176.9	58.2	0	0	0	0	110.9	A174 G175 L177 V250 L252 E258 L266 V302	A174-V274 CarbonylContact C-O 3.59Å; A174-V274 VanDerWaalsContact CA-O 3.29Å; A174-V274 WeakPolarHBondContact CA-O 3.41Å; A174-V274 WeakPolarHBondContact CB-O 3.35Å; G175-V274 PolarHBondContact N-O 3.23Å; G175-V274 PolarHBondContact O-N 3.2Å; L177-V274 HydrophobicContact CD1-CB 3.96Å; L177-V274 HydrophobicContact CD1-CG1 4.23Å; L177-V274 HydrophobicContact CD2-CG1 4.25Å; L177-V274 HydrophobicContact CG-CB 4.35Å; L177-V274 HydrophobicContact CG-CG1 4.07Å; V250-V274 HydrophobicContact CG1-CB 3.76Å; V250-V274 HydrophobicContact CG1-CG2 3.9Å; V250-V274 WeakPolarHBondContact O-CA 3.27Å; L252-V274 HydrophobicContact CD1-CG2 3.75Å; L252-V274 HydrophobicContact CG-CG2 3.83Å; E258-V274 HydrophobicContact CG-CG1 4.44Å; E258-V274 HydrophobicContact CG-CG2 4.36Å; E258-V274 VanDerWaalsContact OE1-CG2 3.28Å; E258-V274 WeakPolarHBondContact OE1-CG2 3.46Å; L266-V274 HydrophobicContact CD1-CB 4.23Å; L266-V274 HydrophobicContact CD1-CG2 3.85Å; V274-V302 HydrophobicContact CG1-CG2 3.83Å
275	G	98.3	Very high	98.6	Very high	6 Å²	6	28.6 Å²	28.6	6%	0.062	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	-173.9	172.5	0	0	0	0	0	112.3	Y249 V250 M251 L252	Y249-G275 VanDerWaalsContact OH-CA 3.24Å; Y249-G275 WeakPolarHBondContact OH-CA 3.45Å; V250-G275 PolarHBondContact O-N 3.46Å; M251-G275 CarbonylContact C-O 3.39Å; M251-G275 WeakPolarHBondContact CA-O 3.41Å; L252-G275 PolarHBondContact N-O 3.16Å
276	M	98.1	Very high	98.6	Very high	27 Å²	27	26.6 Å²	26.6	13%	0.133	14%	0.138	C	C	.	.	S	Bend	trans	-119.7	20.4	-168.6	-56.8	177	-172	0	0	113.8	Y145 Y249 L252 N256 F257	Y145-M276 HydrophobicContact CD1-CB 4.01Å; Y145-M276 HydrophobicContact CD1-SD 4.07Å; Y145-M276 HydrophobicContact CE1-CB 3.78Å; Y145-M276 HydrophobicContact CE1-SD 4.04Å; Y249-M276 PolarHBondContact OH-N 3.41Å; L252-M276 VanDerWaalsContact O-CA 3.32Å; L252-M276 WeakPolarHBondContact O-CA 3.29Å; N256-M276 WeakPolarHBondContact O-CE 3.49Å; F257-M276 HydrophobicContact CD1-CE 4.17Å; F257-M276 HydrophobicContact CE1-CE 4.47Å
277	S	98.1	Very high	98.6	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.063	14%	0.139	C	C	.	.	S	Bend	trans	-147.8	-163.2	-173.4	72.4	0	0	0	0	113	R141 Y249 V279	R141-S277 VanDerWaalsContact CD-CB 3.42Å; R141-S277 PolarHBondContact NH1-OG 2.91Å; Y249-S277 WeakPolarHBondContact CE1-O 3.39Å; Y249-S277 PolarHBondContact OH-N 2.96Å; Y249-S277 VanDerWaalsContact OH-N 3.13Å; Y249-S277 PolarHBondContact OH-O 2.79Å; S277-V279 VanDerWaalsContact C-N 3.27Å; S277-V279 PolarHBondContact O-N 3.33Å
278	T	98.8	Very high	98.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.119	C	C	.	.	S	Bend	trans	75.5	-58	163.7	-56.9	0	0	0	0	114.9	V170 N172 I189 P280 E281 V282	V170-T278 HydrophobicContact CB-CG2 3.85Å; V170-T278 HydrophobicContact CG2-CG2 3.49Å; V170-T278 VanDerWaalsContact CG2-CG2 3.49Å; N172-T278 PolarHBondContact ND2-OG1 3.21Å; I189-T278 HydrophobicContact CD1-CG2 4.2Å; T278-P280 VanDerWaalsContact C-CD 3.43Å; T278-P280 VanDerWaalsContact C-N 3.35Å; T278-E281 WeakPolarHBondContact CA-OE2 3.21Å; T278-E281 WeakPolarHBondContact O-CB 3.49Å; T278-E281 PolarHBondContact O-N 3Å; T278-V282 HydrophobicContact CG2-CG2 3.99Å; T278-V282 WeakPolarHBondContact O-CG2 3.43Å; T278-V282 PolarHBondContact O-N 3.22Å
279	V	98.9	Very high	98.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.4	-40.9	-173.5	171.6	0	0	0	0	113.8	H192 N194 Y249 M251 S277 E281 V282 I283	H192-V279 HydrophobicContact CB-CG2 3.68Å; N194-V279 HydrophobicContact CB-CG1 3.62Å; Y249-V279 HydrophobicContact CD1-CG2 3.83Å; Y249-V279 HydrophobicContact CE1-CG2 3.85Å; M251-V279 HydrophobicContact CB-CB 3.98Å; M251-V279 HydrophobicContact CB-CG2 3.77Å; M251-V279 HydrophobicContact SD-CB 3.95Å; S277-V279 VanDerWaalsContact C-N 3.27Å; S277-V279 PolarHBondContact O-N 3.33Å; V279-E281 PolarHBondContact O-N 3.06Å; V279-V282 PolarHBondContact O-N 3.32Å; V279-I283 HydrophobicContact CG1-CD1 3.78Å; V279-I283 HydrophobicContact CG1-CG1 4.43Å; V279-I283 VanDerWaalsContact O-CG1 3.32Å; V279-I283 WeakPolarHBondContact O-CG1 3.42Å; V279-I283 PolarHBondContact O-N 3.39Å
280	P	98.8	Very high	98.6	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.013	9%	0.087	C	C	.	.	H	α-helix	trans	-64.6	-40.6	176.9	-22.6	36.5	0	0	0	112.4	L150 T154 P203 M251 T278 V282 I283 V284	L150-P280 HydrophobicContact CD2-CB 3.82Å; L150-P280 HydrophobicContact CD2-CG 3.55Å; T154-P280 HydrophobicContact CG2-CB 3.43Å; T154-P280 VanDerWaalsContact CG2-CB 3.43Å; T154-P280 WeakPolarHBondContact CG2-O 3.43Å; P203-P280 HydrophobicContact CG-CB 4.18Å; M251-P280 HydrophobicContact CE-CG 3.8Å; M251-P280 WeakPolarHBondContact SD-CD 3.46Å; M251-P280 HydrophobicContact SD-CG 3.69Å; T278-P280 VanDerWaalsContact C-CD 3.43Å; T278-P280 VanDerWaalsContact C-N 3.35Å; P280-V282 VanDerWaalsContact C-N 3.31Å; P280-V282 PolarHBondContact O-N 3.45Å; P280-I283 PolarHBondContact O-N 3.44Å; P280-V284 PolarHBondContact O-N 3.29Å; P280-V284 VanDerWaalsContact O-N 3.07Å
281	E	98.9	Very high	98.6	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-43.5	178	-57.9	158.9	175.3	0	0	109.8	I87 R141 V157 V170 T278 V279 V284 A285	I87-E281 HydrophobicContact CD1-CB 4.07Å; I87-E281 HydrophobicContact CD1-CG 3.91Å; R141-E281 IonicContact CZ-OE1 2.68Å; R141-E281 IonicContact CZ-OE2 3.6Å; R141-E281 IonicContact NE-OE1 2.69Å; R141-E281 PolarHBondContact NE-OE1 2.85Å; R141-E281 IonicContact NE-OE2 3.75Å; R141-E281 IonicContact NH2-OE2 2.87Å; R141-E281 PolarHBondContact NH2-OE2 2.98Å; V157-E281 HydrophobicContact CG2-CB 4.02Å; V157-E281 HydrophobicContact CG2-CG 4.42Å; V170-E281 HydrophobicContact CG1-CB 4.35Å; T278-E281 WeakPolarHBondContact CA-OE2 3.21Å; T278-E281 WeakPolarHBondContact O-CB 3.49Å; T278-E281 PolarHBondContact O-N 3Å; V279-E281 PolarHBondContact O-N 3.06Å; E281-V284 PolarHBondContact O-N 2.78Å; E281-A285 VanDerWaalsContact O-CB 3.25Å; E281-A285 WeakPolarHBondContact O-CB 3.26Å; E281-A285 PolarHBondContact O-N 2.84Å
282	V	98.9	Very high	98.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.3	-45.1	176.6	175.4	0	0	0	0	111.7	V170 M219 A222 Y223 T278 V279 P280 V284 A285 R286 V292	V170-V282 HydrophobicContact CG1-CG2 4.37Å; V170-V282 HydrophobicContact CG2-CG2 3.88Å; M219-V282 HydrophobicContact CE-CG1 3.98Å; A222-V282 HydrophobicContact CB-CG1 4.08Å; Y223-V282 HydrophobicContact CE1-CG1 4.22Å; Y223-V282 HydrophobicContact CE1-CG2 4.01Å; Y223-V282 HydrophobicContact CE2-CG1 4.49Å; T278-V282 HydrophobicContact CG2-CG2 3.99Å; T278-V282 WeakPolarHBondContact O-CG2 3.43Å; T278-V282 PolarHBondContact O-N 3.22Å; V279-V282 PolarHBondContact O-N 3.32Å; P280-V282 VanDerWaalsContact C-N 3.31Å; P280-V282 PolarHBondContact O-N 3.45Å; V282-V284 PolarHBondContact O-N 2.83Å; V282-A285 PolarHBondContact O-N 3.18Å; V282-R286 HydrophobicContact CG1-CG 4.32Å; V282-R286 WeakPolarHBondContact O-CB 3.45Å; V282-R286 WeakPolarHBondContact O-CG 3.42Å; V282-R286 PolarHBondContact O-N 2.92Å; V282-V292 HydrophobicContact CB-CG1 4.48Å; V282-V292 HydrophobicContact CG1-CG1 4.11Å; V282-V292 HydrophobicContact CG2-CG1 3.92Å
283	I	98.9	Very high	98.6	Very high	6 Å²	6	12.2 Å²	12.2	3%	0.031	7%	0.072	C	C	.	.	H	α-helix	trans	-59.2	-47	178.5	-71.4	163.7	0	0	0	111	N194 P203 L204 M219 V279 P280 R286 H287	N194-I283 WeakPolarHBondContact ND2-CD1 3.12Å; P203-I283 HydrophobicContact CG-CB 4.08Å; P203-I283 HydrophobicContact CG-CG2 3.85Å; L204-I283 HydrophobicContact CD1-CG2 3.59Å; L204-I283 HydrophobicContact CD2-CG2 4.44Å; L204-I283 HydrophobicContact CG-CG2 3.71Å; M219-I283 HydrophobicContact CE-CB 4.28Å; M219-I283 HydrophobicContact CE-CG1 3.72Å; M219-I283 HydrophobicContact SD-CG1 4.41Å; V279-I283 HydrophobicContact CG1-CD1 3.78Å; V279-I283 HydrophobicContact CG1-CG1 4.43Å; V279-I283 VanDerWaalsContact O-CG1 3.32Å; V279-I283 WeakPolarHBondContact O-CG1 3.42Å; V279-I283 PolarHBondContact O-N 3.39Å; P280-I283 PolarHBondContact O-N 3.44Å; I283-R286 PolarHBondContact O-N 3.01Å; I283-H287 WeakPolarHBondContact O-CB 3.2Å; I283-H287 PolarHBondContact O-N 3.05Å
284	V	98.9	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.3	-39.1	179.1	174.5	0	0	0	0	111.5	T154 V157 R158 P203 L204 P280 E281 V282 R286 H287 C288	T154-V284 HydrophobicContact CG2-CG2 3.9Å; V157-V284 HydrophobicContact CB-CB 4.42Å; V157-V284 HydrophobicContact CB-CG1 3.98Å; V157-V284 HydrophobicContact CG1-CB 4.24Å; V157-V284 HydrophobicContact CG1-CG1 3.9Å; R158-V284 HydrophobicContact CG-CG1 3.78Å; P203-V284 HydrophobicContact CB-CG2 3.59Å; P203-V284 HydrophobicContact CG-CG2 3.69Å; L204-V284 HydrophobicContact CD2-CG2 4.18Å; P280-V284 PolarHBondContact O-N 3.29Å; P280-V284 VanDerWaalsContact O-N 3.07Å; E281-V284 PolarHBondContact O-N 2.78Å; V282-V284 PolarHBondContact O-N 2.83Å; V284-R286 PolarHBondContact O-N 3.16Å; V284-H287 WeakPolarHBondContact O-CB 3.23Å; V284-H287 PolarHBondContact O-N 3.48Å; V284-C288 PolarHBondContact O-N 3.02Å; V284-C288 PolarHBondContact O-SG 3.3Å
285	A	98.9	Very high	98.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.9	-45.8	176.8	0	0	0	0	0	111.6	V157 L168 E281 V282 C288 G289 L290 V292	V157-A285 HydrophobicContact CG1-CB 3.75Å; L168-A285 HydrophobicContact CB-CB 4.36Å; L168-A285 HydrophobicContact CD2-CB 3.56Å; E281-A285 VanDerWaalsContact O-CB 3.25Å; E281-A285 WeakPolarHBondContact O-CB 3.26Å; E281-A285 PolarHBondContact O-N 2.84Å; V282-A285 PolarHBondContact O-N 3.18Å; A285-C288 CarbonylContact O-C 3.53Å; A285-C288 PolarHBondContact O-N 2.83Å; A285-G289 PolarHBondContact O-N 2.97Å; A285-G289 VanDerWaalsContact O-N 3.12Å; A285-L290 HydrophobicContact CB-CB 4.02Å; A285-L290 HydrophobicContact CB-CD2 4.15Å; A285-L290 WeakPolarHBondContact O-CB 3.48Å; A285-L290 PolarHBondContact O-N 2.81Å; A285-V292 HydrophobicContact CB-CG2 3.59Å
286	R	98.8	Very high	98.5	Very high	54 Å²	54	12 Å²	12	20%	0.204	7%	0.068	C	C	.	.	H	α-helix	trans	-67.3	-39.2	176.4	-66.3	-56	-64	147.9	-4.6	112.4	M219 D221 A222 V282 I283 V284 C288 G289 L290 V292	M219-R286 HydrophobicContact CE-CB 4.05Å; M219-R286 HydrophobicContact CE-CG 3.9Å; M219-R286 HydrophobicContact SD-CB 3.75Å; M219-R286 HydrophobicContact SD-CG 4.19Å; D221-R286 IonicContact OD1-CZ 2.72Å; D221-R286 IonicContact OD1-NE 3.52Å; D221-R286 IonicContact OD1-NH2 3.42Å; D221-R286 PolarHBondContact OD1-NH2 3.11Å; D221-R286 IonicContact OD2-NH2 3.55Å; D221-R286 PolarHBondContact OD2-NH2 3.15Å; A222-R286 HydrophobicContact CB-CG 4.01Å; A222-R286 WeakPolarHBondContact O-CD 3.38Å; V282-R286 HydrophobicContact CG1-CG 4.32Å; V282-R286 WeakPolarHBondContact O-CB 3.45Å; V282-R286 WeakPolarHBondContact O-CG 3.42Å; V282-R286 PolarHBondContact O-N 2.92Å; I283-R286 PolarHBondContact O-N 3.01Å; V284-R286 PolarHBondContact O-N 3.16Å; R286-C288 VanDerWaalsContact C-N 3.28Å; R286-C288 PolarHBondContact O-N 2.69Å; R286-G289 PolarHBondContact O-N 3.41Å; R286-G289 VanDerWaalsContact O-N 3.13Å; R286-L290 PolarHBondContact NH1-O 3.05Å; R286-V292 HydrophobicContact CG-CG2 4.12Å
287	H	98.8	Very high	98.4	Very high	9 Å²	9	10.7 Å²	10.7	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-54.4	-44.8	172.7	175.1	-114.8	0	0	0	111.6	L204 N208 G213 V214 P217 I283 V284 G289	L204-H287 HydrophobicContact CD1-CB 4Å; L204-H287 HydrophobicContact CD2-CB 3.88Å; N208-H287 PolarHBondContact OD1-NE2 3.11Å; G213-H287 VanDerWaalsContact C-NE2 3.31Å; G213-H287 WeakPolarHBondContact CA-O 3.34Å; G213-H287 PolarHBondContact O-NE2 3.09Å; V214-H287 PolarHBondContact O-CD2 3.12Å; V214-H287 PolarHBondContact O-NE2 2.99Å; V214-H287 VanDerWaalsContact O-NE2 3.16Å; P217-H287 HydrophobicContact CG-CB 4.3Å; I283-H287 WeakPolarHBondContact O-CB 3.2Å; I283-H287 PolarHBondContact O-N 3.05Å; V284-H287 WeakPolarHBondContact O-CB 3.23Å; V284-H287 PolarHBondContact O-N 3.48Å; H287-G289 VanDerWaalsContact C-N 3.34Å; H287-G289 PolarHBondContact O-N 2.81Å
288	C	98.3	Very high	98.4	Very high	6 Å²	6	10.2 Å²	10.2	4%	0.041	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	13.9	179.3	65.6	0	0	0	0	115.8	R161 F212 V284 A285 R286 L290	R161-C288 HydrophobicContact CB-CB 4.37Å; R161-C288 VanDerWaalsContact CD-O 3.31Å; R161-C288 WeakPolarHBondContact CD-O 3.5Å; R161-C288 HydrophobicContact CG-CB 4Å; R161-C288 PolarHBondContact NE-O 3.12Å; F212-C288 HydrophobicContact CB-CB 4.22Å; F212-C288 HydrophobicContact CD1-CB 4.28Å; F212-C288 VanDerWaalsContact O-CA 3.3Å; F212-C288 WeakPolarHBondContact O-CA 3.42Å; V284-C288 PolarHBondContact O-N 3.02Å; V284-C288 PolarHBondContact O-SG 3.3Å; A285-C288 CarbonylContact O-C 3.53Å; A285-C288 PolarHBondContact O-N 2.83Å; R286-C288 VanDerWaalsContact C-N 3.28Å; R286-C288 PolarHBondContact O-N 2.69Å; C288-L290 HydrophobicContact CB-CD1 4.45Å; C288-L290 WeakPolarHBondContact SG-CD1 3.5Å
289	G	98.1	Very high	98.2	Very high	58 Å²	58	10.3 Å²	10.3	60%	0.598	6%	0.059	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	12.5	169.7	0	0	0	0	0	115.8	A285 R286 H287	A285-G289 PolarHBondContact O-N 2.97Å; A285-G289 VanDerWaalsContact O-N 3.12Å; R286-G289 PolarHBondContact O-N 3.41Å; R286-G289 VanDerWaalsContact O-N 3.13Å; H287-G289 VanDerWaalsContact C-N 3.34Å; H287-G289 PolarHBondContact O-N 2.81Å
290	L	98.6	Very high	98.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.062	C	C	.	.			trans	-70.7	141.8	176	-78.9	52.5	0	0	0	109.6	V157 R161 V165 L168 A285 R286 C288	V157-L290 HydrophobicContact CG1-CD2 4.3Å; R161-L290 HydrophobicContact CB-CD1 4.03Å; R161-L290 HydrophobicContact CG-CD1 4.23Å; V165-L290 HydrophobicContact CG1-CD2 4.39Å; L168-L290 HydrophobicContact CB-CD2 4.26Å; A285-L290 HydrophobicContact CB-CB 4.02Å; A285-L290 HydrophobicContact CB-CD2 4.15Å; A285-L290 WeakPolarHBondContact O-CB 3.48Å; A285-L290 PolarHBondContact O-N 2.81Å; R286-L290 PolarHBondContact NH1-O 3.05Å; C288-L290 HydrophobicContact CB-CD1 4.45Å; C288-L290 WeakPolarHBondContact SG-CD1 3.5Å
291	R	98.4	Very high	97.9	Very high	72 Å²	72	14.5 Å²	14.5	27%	0.272	8%	0.078	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	136.9	161.2	-174	-178	-61.8	111	-0.2	108.2	D166 T167 L168 D224 M227	D166-R291 WeakPolarHBondContact O-CB 3.31Å; D166-R291 PolarHBondContact O-N 2.91Å; D166-R291 IonicContact OD1-NH1 2.8Å; T167-R291 CarbonylContact C-O 3.46Å; T167-R291 VanDerWaalsContact CA-O 3.32Å; T167-R291 WeakPolarHBondContact CA-O 3.4Å; T167-R291 HydrophobicContact CG2-CB 4.38Å; T167-R291 PolarHBondContact OG1-NH1 2.95Å; L168-R291 PolarHBondContact N-O 3.16Å; D224-R291 HydrophobicContact CB-CG 3.68Å; D224-R291 WeakPolarHBondContact OD2-CD 3.37Å; D224-R291 WeakPolarHBondContact OD2-CG 3.45Å; D224-R291 IonicContact OD2-NE 3.8Å; M227-R291 WeakPolarHBondContact SD-CD 3.48Å; M227-R291 HydrophobicContact SD-CG 3.93Å
292	V	98.6	Very high	97.7	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.3	179.1	179.6	0	0	0	0	110.3	L168 V170 A222 Y223 D224 V282 A285 R286	L168-V292 HydrophobicContact CB-CG2 4.42Å; L168-V292 WeakPolarHBondContact O-CA 3.37Å; V170-V292 HydrophobicContact CG2-CG1 4.4Å; A222-V292 WeakPolarHBondContact O-CB 3.41Å; Y223-V292 HydrophobicContact CD1-CG1 4.31Å; Y223-V292 HydrophobicContact CE1-CG1 4.42Å; D224-V292 WeakPolarHBondContact CB-O 3.46Å; D224-V292 PolarHBondContact N-O 3.17Å; V282-V292 HydrophobicContact CB-CG1 4.48Å; V282-V292 HydrophobicContact CG1-CG1 4.11Å; V282-V292 HydrophobicContact CG2-CG1 3.92Å; A285-V292 HydrophobicContact CB-CG2 3.59Å; R286-V292 HydrophobicContact CG-CG2 4.12Å
293	F	98.2	Very high	97.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.2	165.2	173.2	-94.9	0	0	0	108.9	L168 V169 V170 L188 M227 R228 A231 F295 F331 L335	L168-F293 PolarHBondContact O-N 3.38Å; V169-F293 CarbonylContact C-O 3.58Å; V169-F293 VanDerWaalsContact CA-O 3.27Å; V169-F293 WeakPolarHBondContact CA-O 3.32Å; V169-F293 HydrophobicContact CG1-CD1 4.08Å; V169-F293 HydrophobicContact CG2-CB 4.5Å; V169-F293 HydrophobicContact CG2-CD1 4.37Å; V170-F293 PolarHBondContact N-O 2.94Å; L188-F293 HydrophobicContact CD2-CE1 4.46Å; L188-F293 HydrophobicContact CD2-CE2 3.76Å; L188-F293 HydrophobicContact CD2-CZ 3.42Å; L188-F293 VanDerWaalsContact CD2-CZ 3.42Å; M227-F293 HydrophobicContact CB-CB 4.2Å; M227-F293 HydrophobicContact CB-CD2 3.76Å; M227-F293 HydrophobicContact CB-CG 4.29Å; M227-F293 HydrophobicContact CE-CB 3.5Å; M227-F293 VanDerWaalsContact CE-CB 3.5Å; M227-F293 HydrophobicContact CE-CD1 4.44Å; M227-F293 HydrophobicContact CE-CD2 4.43Å; M227-F293 HydrophobicContact CE-CG 3.9Å; M227-F293 HydrophobicContact SD-CB 3.81Å; R228-F293 HydrophobicContact CG-CD2 4.29Å; R228-F293 HydrophobicContact CG-CE2 4.3Å; A231-F293 HydrophobicContact CB-CE2 3.69Å; A231-F293 HydrophobicContact CB-CZ 3.7Å; F293-F295 HydrophobicContact CD1-CD1 4.4Å; F293-F295 AromaticContact CE1-CD1 3.67Å; F293-F295 HydrophobicContact CE1-CD1 3.67Å; F293-F295 HydrophobicContact CE1-CE1 4.31Å; F293-F295 HydrophobicContact CZ-CD1 4.46Å; F293-F331 HydrophobicContact CZ-CE1 4.45Å; F293-F331 HydrophobicContact CZ-CZ 4.3Å; F293-L335 HydrophobicContact CD1-CD2 3.36Å; F293-L335 HydrophobicContact CE1-CD1 4.18Å; F293-L335 HydrophobicContact CE1-CD2 3.15Å; F293-L335 HydrophobicContact CE1-CG 4.28Å; F293-L335 HydrophobicContact CE2-CD1 4.33Å; F293-L335 HydrophobicContact CG-CD2 4.18Å; F293-L335 HydrophobicContact CZ-CD1 4Å; F293-L335 HydrophobicContact CZ-CD2 3.84Å
294	G	97.8	Very high	97.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	147.8	-177.1	0	0	0	0	0	112.6	V170 I189	V170-G294 VanDerWaalsContact O-CA 3.23Å; V170-G294 WeakPolarHBondContact O-CA 3.42Å; I189-G294 PolarHBondContact N-O 2.96Å
295	F	97.8	Very high	96.8	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.1	170.5	65.5	-92.6	0	0	0	111.5	L92 V169 V170 T171 N172 I186 M187 L188 F293 L328 F331 V332	L92-F295 HydrophobicContact CD1-CE2 4.46Å; V169-F295 HydrophobicContact CG1-CE1 4.25Å; V170-F295 PolarHBondContact O-N 3.17Å; V170-F295 VanDerWaalsContact O-N 3.13Å; T171-F295 WeakPolarHBondContact CA-O 3.25Å; T171-F295 HydrophobicContact CG2-CD1 4.26Å; T171-F295 HydrophobicContact CG2-CE1 3.45Å; T171-F295 VanDerWaalsContact CG2-CE1 3.45Å; T171-F295 HydrophobicContact CG2-CE2 3.9Å; T171-F295 HydrophobicContact CG2-CZ 3.24Å; N172-F295 PolarHBondContact N-O 3.4Å; I186-F295 HydrophobicContact CG2-CB 4.06Å; I186-F295 HydrophobicContact CG2-CD2 3.84Å; I186-F295 HydrophobicContact CG2-CG 4.14Å; M187-F295 CarbonylContact O-C 3.55Å; M187-F295 WeakPolarHBondContact O-CA 3.44Å; M187-F295 WeakPolarHBondContact O-CB 3.43Å; L188-F295 HydrophobicContact CD2-CB 4.17Å; F293-F295 HydrophobicContact CD1-CD1 4.4Å; F293-F295 AromaticContact CE1-CD1 3.67Å; F293-F295 HydrophobicContact CE1-CD1 3.67Å; F293-F295 HydrophobicContact CE1-CE1 4.31Å; F293-F295 HydrophobicContact CZ-CD1 4.46Å; F295-L328 HydrophobicContact CD2-CD2 4.12Å; F295-L328 HydrophobicContact CE2-CD2 3.39Å; F295-L328 HydrophobicContact CZ-CD2 3.98Å; F295-F331 HydrophobicContact CD1-CE1 4.21Å; F295-F331 HydrophobicContact CE1-CE1 4.41Å; F295-F331 HydrophobicContact CG-CE1 4.48Å; F295-V332 HydrophobicContact CE1-CG2 3.75Å; F295-V332 HydrophobicContact CZ-CG2 3.59Å
296	S	97.9	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134.7	174.1	-65.2	0	0	0	0	109.6	N172 I186 M187	N172-S296 PolarHBondContact ND2-OG 2.8Å; N172-S296 CarbonylContact O-C 3.57Å; N172-S296 WeakPolarHBondContact O-CA 3.35Å; N172-S296 VanDerWaalsContact OD1-CB 3.25Å; N172-S296 WeakPolarHBondContact OD1-CB 3.27Å; N172-S296 PolarHBondContact OD1-OG 3.13Å; I186-S296 WeakPolarHBondContact CA-O 3.47Å; M187-S296 PolarHBondContact N-O 3.26Å; M187-S296 PolarHBondContact O-N 3.2Å
297	L	96.8	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	122.2	159.7	175.6	64.7	0	0	0	107.8	L92 N172 A173 A174 I186 T299 A324 L328	L92-L297 HydrophobicContact CD2-CD2 4.24Å; N172-L297 PolarHBondContact O-N 2.98Å; A173-L297 WeakPolarHBondContact CA-O 3.37Å; A174-L297 PolarHBondContact N-O 3.49Å; I186-L297 HydrophobicContact CG1-CD1 4.38Å; L297-T299 HydrophobicContact CB-CG2 4.39Å; L297-T299 HydrophobicContact CD2-CG2 3.8Å; L297-T299 HydrophobicContact CG-CG2 3.82Å; L297-T299 PolarHBondContact O-N 3.22Å; L297-A324 HydrophobicContact CD1-CB 3.58Å; L297-A324 HydrophobicContact CD2-CB 3.73Å; L297-A324 HydrophobicContact CG-CB 4.32Å; L297-L328 HydrophobicContact CB-CD1 4.36Å; L297-L328 HydrophobicContact CD1-CD1 4.21Å; L297-L328 HydrophobicContact CD2-CD1 3.96Å; L297-L328 HydrophobicContact CG-CD1 4.41Å
298	I	97.4	Very high	95.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	106.3	173.3	-55.2	-54.2	0	0	0	107.9	A174 F181 V183 G184 D185 M187 A273	A174-I298 WeakPolarHBondContact O-CA 3.49Å; F181-I298 HydrophobicContact CB-CG1 4.3Å; F181-I298 HydrophobicContact CB-CG2 4.41Å; F181-I298 HydrophobicContact CD2-CD1 3.87Å; F181-I298 HydrophobicContact CD2-CG1 3.97Å; F181-I298 HydrophobicContact CE2-CD1 4.42Å; F181-I298 HydrophobicContact CG-CG1 4.43Å; V183-I298 WeakPolarHBondContact CA-O 3.49Å; G184-I298 PolarHBondContact N-O 2.85Å; D185-I298 HydrophobicContact CB-CB 4.32Å; D185-I298 HydrophobicContact CB-CG1 4.16Å; D185-I298 PolarHBondContact O-N 3.03Å; M187-I298 HydrophobicContact CB-CD1 4.28Å; A273-I298 HydrophobicContact CB-CD1 3.93Å
299	T	95.3	Very high	95.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-17.3	-172.4	48.1	0	0	0	0	114	A173 A174 V183 L297 V317 A320	A173-T299 HydrophobicContact CB-CG2 3.61Å; A174-T299 PolarHBondContact O-N 3.49Å; A174-T299 PolarHBondContact O-OG1 3.31Å; V183-T299 WeakPolarHBondContact CG1-O 3.32Å; L297-T299 HydrophobicContact CB-CG2 4.39Å; L297-T299 HydrophobicContact CD2-CG2 3.8Å; L297-T299 HydrophobicContact CG-CG2 3.82Å; L297-T299 PolarHBondContact O-N 3.22Å; T299-V317 HydrophobicContact CG2-CG1 4.05Å; T299-A320 HydrophobicContact CG2-CB 3.87Å
300	N	95.1	Very high	95	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	156.8	176	63.6	-70.4	0	0	0	108.9	G176	G176-N300 PolarHBondContact N-O 2.96Å
301	K	95.9	Very high	94.5	Very high	81 Å²	81	52 Å²	52	35%	0.352	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128	168.1	-61.2	-176.7	79.5	160.2	0	108.1	F181 E182 V183 V303	F181-K301 WeakPolarHBondContact O-CE 3.43Å; F181-K301 PolarHBondContact O-NZ 3.27Å; E182-K301 IonicContact OE1-NZ 2.74Å; E182-K301 PolarHBondContact OE1-NZ 2.82Å; E182-K301 IonicContact OE2-NZ 3.63Å; E182-K301 PolarHBondContact OE2-NZ 2.77Å; V183-K301 HydrophobicContact CG2-CG 4.22Å; K301-V303 PolarHBondContact O-N 2.76Å
302	V	94.1	Very high	94	Very high	12 Å²	12	50.2 Å²	50.2	7%	0.073	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-70.9	132.2	-178.3	179.1	0	0	0	0	109.5	G176 L177 S263 V274 M304	G176-V302 WeakPolarHBondContact O-CB 3.47Å; G176-V302 WeakPolarHBondContact O-CG2 3.34Å; G176-V302 PolarHBondContact O-N 3.32Å; L177-V302 HydrophobicContact CD2-CB 3.98Å; L177-V302 HydrophobicContact CD2-CG1 3.95Å; L177-V302 HydrophobicContact CD2-CG2 4.04Å; L177-V302 HydrophobicContact CG-CG2 4.43Å; S263-V302 VanDerWaalsContact CB-CG1 3.43Å; S263-V302 WeakPolarHBondContact OG-CG1 3.46Å; V274-V302 HydrophobicContact CG1-CG2 3.83Å; V302-M304 PolarHBondContact O-N 3.09Å
303	V	93.3	Very high	93.5	Very high	29 Å²	29	53.4 Å²	53.4	18%	0.176	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-70.3	118.7	180	-177.5	0	0	0	0	109.9	V260 S263 K301 D305 N308 E310	V260-V303 HydrophobicContact CG2-CG1 4.09Å; S263-V303 PolarHBondContact OG-O 2.87Å; K301-V303 PolarHBondContact O-N 2.76Å; V303-D305 WeakPolarHBondContact CG1-O 3.05Å; V303-N308 HydrophobicContact CG1-CB 3.94Å; V303-E310 HydrophobicContact CG2-CB 4.39Å
304	M	91.9	Very high	92.8	Very high	35 Å²	35	56.6 Å²	56.6	17%	0.172	29%	0.289	C	S	.	.			trans	-121.9	1.3	-179.7	-72	-176.1	-81.4	0	0	113.5	L177 V260 R264 R267 V302	L177-M304 VanDerWaalsContact O-CE 3.25Å; L177-M304 WeakPolarHBondContact O-CE 3.4Å; V260-M304 WeakPolarHBondContact CG1-O 3.44Å; R264-M304 VanDerWaalsContact CZ-O 3.28Å; R264-M304 PolarHBondContact NE-O 2.89Å; R264-M304 PolarHBondContact NH2-O 3.45Å; R267-M304 HydrophobicContact CB-SD 4.44Å; R267-M304 VanDerWaalsContact CD-SD 3.59Å; V302-M304 PolarHBondContact O-N 3.09Å
305	D	93.1	Very high	92.2	Very high	87 Å²	87	61.3 Å²	61.3	47%	0.465	31%	0.311	S	S	.	.			trans	-119.2	130.9	177	-171.3	-5.4	0	0	0	109.7	V303 A307 N308	V303-D305 WeakPolarHBondContact CG1-O 3.05Å; D305-A307 PolarHBondContact O-N 3.38Å; D305-A307 PolarHBondContact OD1-N 2.83Å; D305-N308 HydrophobicContact CB-CB 4.42Å; D305-N308 PolarHBondContact O-N 3.12Å; D305-N308 VanDerWaalsContact O-N 3.16Å
306	Y	94.2	Very high	91.7	Very high	157 Å²	157	64.1 Å²	64.1	62%	0.616	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.9	176.6	-65.8	-70.3	0	0	0	112.7	V260	V260-Y306 HydrophobicContact CB-CD1 3.99Å; V260-Y306 HydrophobicContact CB-CE1 3.61Å; V260-Y306 HydrophobicContact CG1-CD1 3.99Å; V260-Y306 HydrophobicContact CG1-CD2 4.16Å; V260-Y306 HydrophobicContact CG1-CE1 3.69Å; V260-Y306 HydrophobicContact CG1-CE2 3.88Å; V260-Y306 HydrophobicContact CG1-CG 4.21Å; V260-Y306 HydrophobicContact CG2-CD1 4.05Å; V260-Y306 HydrophobicContact CG2-CE1 4.15Å
307	A	93.6	Very high	91	Very high	77 Å²	77	64.6 Å²	64.6	64%	0.636	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-17.2	174.3	0	0	0	0	0	113.4	D305	D305-A307 PolarHBondContact O-N 3.38Å; D305-A307 PolarHBondContact OD1-N 2.83Å
308	N	89.7	Confident	90.4	Very high	63 Å²	63	66.1 Å²	66.1	34%	0.337	34%	0.335	S	S	.	.			trans	-76.2	127.7	176.8	-173.5	-10.4	0	0	0	109.6	V303 D305 E310	V303-N308 HydrophobicContact CG1-CB 3.94Å; D305-N308 HydrophobicContact CB-CB 4.42Å; D305-N308 PolarHBondContact O-N 3.12Å; D305-N308 VanDerWaalsContact O-N 3.16Å; N308-E310 PolarHBondContact ND2-OE2 2.9Å; N308-E310 VanDerWaalsContact ND2-OE2 3.14Å; N308-E310 VanDerWaalsContact OD1-CB 3.26Å; N308-E310 WeakPolarHBondContact OD1-CB 3.31Å; N308-E310 VanDerWaalsContact OD1-CG 3.31Å; N308-E310 WeakPolarHBondContact OD1-CG 3.29Å; N308-E310 PolarHBondContact OD1-N 3.28Å
309	L	88.9	Confident	90	Very high	157 Å²	157	71.5 Å²	71.5	82%	0.822	36%	0.36	S	S	*	.			trans	-94.4	-6.4	-177.4	-59.2	179.3	0	0	0	113.5
310	E	89.6	Confident	89.6	Confident	132 Å²	132	71.9 Å²	71.9	62%	0.617	36%	0.363	S	S	*	.			trans	-61.9	150	175.8	-68.5	172.5	165.7	0	0	111.1	V303 N308	V303-E310 HydrophobicContact CG2-CB 4.39Å; N308-E310 PolarHBondContact ND2-OE2 2.9Å; N308-E310 VanDerWaalsContact ND2-OE2 3.14Å; N308-E310 VanDerWaalsContact OD1-CB 3.26Å; N308-E310 WeakPolarHBondContact OD1-CB 3.31Å; N308-E310 VanDerWaalsContact OD1-CG 3.31Å; N308-E310 WeakPolarHBondContact OD1-CG 3.29Å; N308-E310 PolarHBondContact OD1-N 3.28Å
311	K	87.9	Confident	89.2	Confident	174 Å²	174	71.5 Å²	71.5	76%	0.757	36%	0.361	S	S	*	.			trans	-133.9	125.4	179.2	-64.3	-177.9	-177.3	178.7	0	109.4	N313	K311-N313 PolarHBondContact O-N 3.15Å; K311-N313 PolarHBondContact O-ND2 3.47Å
312	A	86.6	Confident	88.7	Confident	35 Å²	35	75.9 Å²	75.9	29%	0.289	38%	0.38	S	S	.	.			trans	-56.8	134.9	171.6	0	0	0	0	0	109.9	F257	F257-A312 HydrophobicContact CB-CB 4.03Å; F257-A312 HydrophobicContact CD1-CB 3.97Å; F257-A312 HydrophobicContact CD2-CB 3.73Å; F257-A312 HydrophobicContact CE1-CB 4.34Å; F257-A312 HydrophobicContact CE2-CB 4.13Å; F257-A312 HydrophobicContact CG-CB 3.64Å; F257-A312 HydrophobicContact CZ-CB 4.42Å
313	N	88.1	Confident	88.4	Confident	68 Å²	68	79.6 Å²	79.6	36%	0.364	41%	0.412	S	S	.	.			trans	-146.6	151.5	179.1	69	85.9	0	0	0	110.2	K311 Q315 E316	K311-N313 PolarHBondContact O-N 3.15Å; K311-N313 PolarHBondContact O-ND2 3.47Å; N313-Q315 VanDerWaalsContact C-N 3.27Å; N313-Q315 PolarHBondContact O-N 3Å; N313-Q315 WeakPolarHBondContact OD1-CB 3.32Å; N313-Q315 PolarHBondContact OD1-N 3Å; N313-E316 PolarHBondContact ND2-OE2 3.45Å; N313-E316 PolarHBondContact OD1-N 3.41Å
314	H	83.6	Confident	88.1	Confident	67 Å²	67	78.7 Å²	78.7	31%	0.31	41%	0.408	S	S	.	.	H	α-helix	trans	-68.2	-26.6	-175.7	-172.7	65.2	0	0	0	113.2	V317 L318	H314-V317 WeakPolarHBondContact O-CB 3.49Å; H314-V317 PolarHBondContact O-N 2.61Å; H314-L318 PolarHBondContact O-N 3.29Å
315	Q	85.7	Confident	87.6	Confident	99 Å²	99	78.2 Å²	78.2	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-67.3	-44.2	-178.6	-178.4	58	40.9	0	0	111.5	N313 V317 L318 E319	N313-Q315 VanDerWaalsContact C-N 3.27Å; N313-Q315 PolarHBondContact O-N 3Å; N313-Q315 WeakPolarHBondContact OD1-CB 3.32Å; N313-Q315 PolarHBondContact OD1-N 3Å; Q315-V317 PolarHBondContact O-N 3.37Å; Q315-L318 PolarHBondContact O-N 2.85Å; Q315-L318 VanDerWaalsContact O-N 3.15Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.37Å; Q315-E319 PolarHBondContact NE2-OE1 3.25Å; Q315-E319 WeakPolarHBondContact O-CG 3.32Å; Q315-E319 PolarHBondContact O-N 3.31Å
316	E	86.4	Confident	87.2	Confident	63 Å²	63	81.3 Å²	81.3	29%	0.294	42%	0.421	S	S	.	.	H	α-helix	trans	-56.9	-38.8	173.3	-177.3	-174.7	171.9	0	0	111.7	N313 L318 E319 A320	N313-E316 PolarHBondContact ND2-OE2 3.45Å; N313-E316 PolarHBondContact OD1-N 3.41Å; E316-L318 PolarHBondContact O-N 2.68Å; E316-E319 PolarHBondContact O-N 2.78Å; E316-A320 WeakPolarHBondContact O-CB 3.49Å; E316-A320 PolarHBondContact O-N 2.85Å
317	V	84.8	Confident	86.9	Confident	10 Å²	10	76 Å²	76	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-60.7	-45.3	177.2	176.5	0	0	0	0	111.6	A173 T299 H314 Q315 G321	A173-V317 HydrophobicContact CB-CG1 3.56Å; T299-V317 HydrophobicContact CG2-CG1 4.05Å; H314-V317 WeakPolarHBondContact O-CB 3.49Å; H314-V317 PolarHBondContact O-N 2.61Å; Q315-V317 PolarHBondContact O-N 3.37Å; V317-G321 PolarHBondContact O-N 2.62Å
318	L	84.1	Confident	86.6	Confident	32 Å²	32	72.7 Å²	72.7	17%	0.168	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-37.2	178	-63.7	178.3	0	0	0	111.9	H314 Q315 E316 G321 K322	H314-L318 PolarHBondContact O-N 3.29Å; Q315-L318 PolarHBondContact O-N 2.85Å; Q315-L318 VanDerWaalsContact O-N 3.15Å; E316-L318 PolarHBondContact O-N 2.68Å; L318-G321 PolarHBondContact O-N 3.22Å; L318-K322 WeakPolarHBondContact O-CB 3.44Å; L318-K322 PolarHBondContact O-N 3.5Å
319	E	87.9	Confident	86.3	Confident	112 Å²	112	71.4 Å²	71.4	52%	0.523	37%	0.365	S	S	.	.	H	α-helix	trans	-67.1	-46.1	178	-73.6	171	-169.4	0	0	112.1	Q315 E316 G321 K322 A323	Q315-E319 WeakPolarHBondContact CG-OE1 3.37Å; Q315-E319 PolarHBondContact NE2-OE1 3.25Å; Q315-E319 WeakPolarHBondContact O-CG 3.32Å; Q315-E319 PolarHBondContact O-N 3.31Å; E316-E319 PolarHBondContact O-N 2.78Å; E319-G321 VanDerWaalsContact C-N 3.31Å; E319-G321 PolarHBondContact O-N 3.25Å; E319-K322 PolarHBondContact O-N 3.37Å; E319-A323 WeakPolarHBondContact O-CB 3.31Å; E319-A323 PolarHBondContact O-N 3.05Å
320	A	88.2	Confident	86.2	Confident	11 Å²	11	68.3 Å²	68.3	9%	0.091	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-42.2	174	0	0	0	0	0	111.4	V183 T299 E316 K322 A323 A324	V183-A320 HydrophobicContact CG1-CB 4Å; T299-A320 HydrophobicContact CG2-CB 3.87Å; E316-A320 WeakPolarHBondContact O-CB 3.49Å; E316-A320 PolarHBondContact O-N 2.85Å; A320-K322 PolarHBondContact O-N 3.11Å; A320-A323 PolarHBondContact O-N 3.15Å; A320-A324 WeakPolarHBondContact O-CB 3.27Å; A320-A324 PolarHBondContact O-N 2.49Å
321	G	86.4	Confident	86.2	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-57.3	-48.1	173.1	0	0	0	0	0	112.8	V317 L318 E319 A323 A324 A325	V317-G321 PolarHBondContact O-N 2.62Å; L318-G321 PolarHBondContact O-N 3.22Å; E319-G321 VanDerWaalsContact C-N 3.31Å; E319-G321 PolarHBondContact O-N 3.25Å; G321-A323 PolarHBondContact O-N 3.01Å; G321-A324 PolarHBondContact O-N 3.04Å; G321-A325 PolarHBondContact O-N 3.29Å
322	K	85.1	Confident	86.3	Confident	174 Å²	174	53.8 Å²	53.8	76%	0.757	28%	0.281	S	S	*	.	H	α-helix	trans	-63.3	-40.8	177.8	-172.4	178.7	179	-177.1	0	112.1	L318 E319 A320 A324 A325	L318-K322 WeakPolarHBondContact O-CB 3.44Å; L318-K322 PolarHBondContact O-N 3.5Å; E319-K322 PolarHBondContact O-N 3.37Å; A320-K322 PolarHBondContact O-N 3.11Å; K322-A324 VanDerWaalsContact C-N 3.32Å; K322-A325 WeakPolarHBondContact O-CB 3.48Å; K322-A325 PolarHBondContact O-N 2.81Å
323	A	86.9	Confident	86.2	Confident	90 Å²	90	53.7 Å²	53.7	74%	0.744	28%	0.278	S	S	*	.	H	α-helix	trans	-66.4	-34.7	177.6	0	0	0	0	0	112.3	E319 A320 G321	E319-A323 WeakPolarHBondContact O-CB 3.31Å; E319-A323 PolarHBondContact O-N 3.05Å; A320-A323 PolarHBondContact O-N 3.15Å; G321-A323 PolarHBondContact O-N 3.01Å
324	A	86.8	Confident	86.2	Confident	9 Å²	9	52.3 Å²	52.3	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-87.2	-7.4	179.5	0	0	0	0	0	114.1	L297 A320 G321 K322 Q326 K327 L328	L297-A324 HydrophobicContact CD1-CB 3.58Å; L297-A324 HydrophobicContact CD2-CB 3.73Å; L297-A324 HydrophobicContact CG-CB 4.32Å; A320-A324 WeakPolarHBondContact O-CB 3.27Å; A320-A324 PolarHBondContact O-N 2.49Å; G321-A324 PolarHBondContact O-N 3.04Å; K322-A324 VanDerWaalsContact C-N 3.32Å; A324-Q326 PolarHBondContact O-N 3.15Å; A324-K327 PolarHBondContact O-N 3.14Å; A324-L328 HydrophobicContact CB-CD1 3.68Å; A324-L328 HydrophobicContact CB-CG 4.33Å; A324-L328 WeakPolarHBondContact O-CB 3.36Å; A324-L328 WeakPolarHBondContact O-CG 3.2Å; A324-L328 PolarHBondContact O-N 3.37Å
325	A	82.8	Confident	86.3	Confident	25 Å²	25	49.1 Å²	49.1	21%	0.207	26%	0.255	C	S	.	.	H	α-helix	trans	-54.5	-52.9	-170.2	0	0	0	0	0	113.2	G321 K322 K327 L328 E329	G321-A325 PolarHBondContact O-N 3.29Å; K322-A325 WeakPolarHBondContact O-CB 3.48Å; K322-A325 PolarHBondContact O-N 2.81Å; A325-K327 VanDerWaalsContact C-N 3.32Å; A325-K327 PolarHBondContact O-N 3.45Å; A325-L328 PolarHBondContact O-N 3.42Å; A325-E329 WeakPolarHBondContact O-CB 3.3Å; A325-E329 WeakPolarHBondContact O-CG 3.25Å; A325-E329 PolarHBondContact O-N 2.96Å
326	Q	84.4	Confident	86.5	Confident	153 Å²	153	44.4 Å²	44.4	72%	0.715	23%	0.233	S	C	*	.	H	α-helix	trans	-60.3	-42.7	-178.6	-176.4	-179.1	-1.5	0	0	112.1	A324 E329 Q330	A324-Q326 PolarHBondContact O-N 3.15Å; Q326-E329 PolarHBondContact O-N 3.19Å; Q326-Q330 PolarHBondContact O-N 3.01Å; Q326-Q330 VanDerWaalsContact O-N 3.12Å
327	K	88	Confident	86.5	Confident	44 Å²	44	47.2 Å²	47.2	19%	0.191	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-42.3	179.4	-179.9	169.3	172.4	160.6	0	111.6	I186 W235 E240 A324 A325 Q330 F331	I186-K327 HydrophobicContact CD1-CG 4.45Å; W235-K327 HydrophobicContact CH2-CD 4.33Å; W235-K327 VanDerWaalsContact CH2-NZ 3.34Å; W235-K327 VanDerWaalsContact CZ2-CE 3.47Å; W235-K327 VanDerWaalsContact CZ2-NZ 3.3Å; E240-K327 VanDerWaalsContact OE2-CE 3.26Å; E240-K327 WeakPolarHBondContact OE2-CE 3.32Å; E240-K327 IonicContact OE2-NZ 3.67Å; E240-K327 PolarHBondContact OE2-NZ 3.11Å; A324-K327 PolarHBondContact O-N 3.14Å; A325-K327 VanDerWaalsContact C-N 3.32Å; A325-K327 PolarHBondContact O-N 3.45Å; K327-Q330 PolarHBondContact O-N 2.92Å; K327-F331 WeakPolarHBondContact O-CB 3.18Å; K327-F331 PolarHBondContact O-N 3.28Å
328	L	86.3	Confident	86.4	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-41.5	177.6	-78.4	166.4	0	0	0	112.5	L92 I186 F295 L297 A324 A325 Q330 F331 V332	L92-L328 HydrophobicContact CD2-CD1 3.21Å; L92-L328 HydrophobicContact CD2-CG 4.43Å; I186-L328 HydrophobicContact CD1-CD2 3.25Å; I186-L328 HydrophobicContact CD1-CG 3.79Å; I186-L328 HydrophobicContact CG1-CD2 3.76Å; I186-L328 HydrophobicContact CG1-CG 4.42Å; F295-L328 HydrophobicContact CD2-CD2 4.12Å; F295-L328 HydrophobicContact CE2-CD2 3.39Å; F295-L328 HydrophobicContact CZ-CD2 3.98Å; L297-L328 HydrophobicContact CB-CD1 4.36Å; L297-L328 HydrophobicContact CD1-CD1 4.21Å; L297-L328 HydrophobicContact CD2-CD1 3.96Å; L297-L328 HydrophobicContact CG-CD1 4.41Å; A324-L328 HydrophobicContact CB-CD1 3.68Å; A324-L328 HydrophobicContact CB-CG 4.33Å; A324-L328 WeakPolarHBondContact O-CB 3.36Å; A324-L328 WeakPolarHBondContact O-CG 3.2Å; A324-L328 PolarHBondContact O-N 3.37Å; A325-L328 PolarHBondContact O-N 3.42Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 3.29Å; L328-F331 PolarHBondContact O-N 3.48Å; L328-V332 WeakPolarHBondContact O-CB 3.37Å; L328-V332 VanDerWaalsContact O-CG2 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.4Å; L328-V332 PolarHBondContact O-N 3.29Å
329	E	83.7	Confident	86.6	Confident	36 Å²	36	46.3 Å²	46.3	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-49	174.2	-75.1	166.6	-167.1	0	0	111.2	L95 K98 A325 Q326 S333	L95-E329 HydrophobicContact CD1-CB 4.48Å; L95-E329 HydrophobicContact CD1-CG 4.2Å; K98-E329 WeakPolarHBondContact CE-OE2 3.22Å; K98-E329 HydrophobicContact CG-CB 4.45Å; K98-E329 HydrophobicContact CG-CG 4.23Å; K98-E329 IonicContact NZ-OE2 3.53Å; K98-E329 PolarHBondContact NZ-OE2 3.48Å; A325-E329 WeakPolarHBondContact O-CB 3.3Å; A325-E329 WeakPolarHBondContact O-CG 3.25Å; A325-E329 PolarHBondContact O-N 2.96Å; Q326-E329 PolarHBondContact O-N 3.19Å; E329-S333 VanDerWaalsContact O-CB 3.25Å; E329-S333 WeakPolarHBondContact O-CB 3.43Å; E329-S333 PolarHBondContact O-N 3.2Å
330	Q	87.4	Confident	86.4	Confident	92 Å²	92	43.2 Å²	43.2	43%	0.43	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-46.6	177.9	-174.2	177	-3.5	0	0	111.6	M238 Q326 K327 L328 V332 S333 I334	M238-Q330 HydrophobicContact CE-CB 4.12Å; M238-Q330 HydrophobicContact CE-CG 3.85Å; Q326-Q330 PolarHBondContact O-N 3.01Å; Q326-Q330 VanDerWaalsContact O-N 3.12Å; K327-Q330 PolarHBondContact O-N 2.92Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 3.29Å; Q330-V332 PolarHBondContact O-N 2.77Å; Q330-S333 WeakPolarHBondContact O-CB 3.46Å; Q330-S333 PolarHBondContact O-N 3.05Å; Q330-I334 HydrophobicContact CG-CD1 4.03Å; Q330-I334 WeakPolarHBondContact O-CG1 3.28Å; Q330-I334 PolarHBondContact O-N 3.06Å
331	F	89.9	Confident	86.2	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-47.8	179.6	175.9	-115.8	0	0	0	112.4	I186 L188 A231 W235 M238 L244 F293 F295 K327 L328 S333 I334 L335	I186-F331 HydrophobicContact CG2-CE1 4.34Å; L188-F331 HydrophobicContact CD2-CE1 4.49Å; L188-F331 HydrophobicContact CD2-CZ 4.07Å; A231-F331 HydrophobicContact CB-CE2 4.23Å; A231-F331 HydrophobicContact CB-CZ 3.94Å; W235-F331 AromaticContact CE3-CD2 3.67Å; W235-F331 HydrophobicContact CE3-CD2 3.67Å; W235-F331 AromaticContact CE3-CE2 4Å; W235-F331 HydrophobicContact CE3-CE2 4Å; W235-F331 HydrophobicContact CE3-CG 4.25Å; W235-F331 HydrophobicContact CZ3-CD2 4.16Å; W235-F331 HydrophobicContact CZ3-CG 4.29Å; M238-F331 HydrophobicContact CE-CB 4.42Å; M238-F331 HydrophobicContact SD-CB 4.26Å; M238-F331 HydrophobicContact SD-CD2 4.22Å; L244-F331 HydrophobicContact CD1-CZ 4.26Å; L244-F331 HydrophobicContact CD2-CE2 4.04Å; L244-F331 HydrophobicContact CD2-CZ 3.96Å; F293-F331 HydrophobicContact CZ-CE1 4.45Å; F293-F331 HydrophobicContact CZ-CZ 4.3Å; F295-F331 HydrophobicContact CD1-CE1 4.21Å; F295-F331 HydrophobicContact CE1-CE1 4.41Å; F295-F331 HydrophobicContact CG-CE1 4.48Å; K327-F331 WeakPolarHBondContact O-CB 3.18Å; K327-F331 PolarHBondContact O-N 3.28Å; L328-F331 PolarHBondContact O-N 3.48Å; F331-S333 VanDerWaalsContact C-N 3.33Å; F331-S333 PolarHBondContact O-N 2.86Å; F331-I334 PolarHBondContact O-N 2.85Å; F331-L335 WeakPolarHBondContact O-CB 3.31Å; F331-L335 PolarHBondContact O-N 2.94Å
332	V	88.7	Confident	85.8	Confident	2 Å²	2	51.4 Å²	51.4	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-37.1	179	179	0	0	0	0	111	L95 L130 F295 L328 Q330 L335 M336	L95-V332 HydrophobicContact CD1-CB 3.98Å; L95-V332 HydrophobicContact CD1-CG1 4.09Å; L95-V332 HydrophobicContact CD2-CB 4.31Å; L95-V332 HydrophobicContact CD2-CG1 3.8Å; L95-V332 HydrophobicContact CD2-CG2 4.4Å; L130-V332 HydrophobicContact CD2-CG1 3.91Å; F295-V332 HydrophobicContact CE1-CG2 3.75Å; F295-V332 HydrophobicContact CZ-CG2 3.59Å; L328-V332 WeakPolarHBondContact O-CB 3.37Å; L328-V332 VanDerWaalsContact O-CG2 3.26Å; L328-V332 WeakPolarHBondContact O-CG2 3.4Å; L328-V332 PolarHBondContact O-N 3.29Å; Q330-V332 PolarHBondContact O-N 2.77Å; V332-L335 WeakPolarHBondContact O-CB 3.33Å; V332-L335 PolarHBondContact O-N 3.29Å; V332-M336 HydrophobicContact CG1-CE 3.85Å; V332-M336 WeakPolarHBondContact O-CG 2.97Å; V332-M336 PolarHBondContact O-N 2.69Å
333	S	86.2	Confident	84.8	Confident	32 Å²	32	52.2 Å²	52.2	22%	0.224	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-45.4	175.5	-170.5	0	0	0	0	112.3	N131 E329 Q330 F331 L335 M336	N131-S333 WeakPolarHBondContact CB-OG 3.18Å; N131-S333 PolarHBondContact ND2-O 3.06Å; N131-S333 PolarHBondContact ND2-OG 2.94Å; E329-S333 VanDerWaalsContact O-CB 3.25Å; E329-S333 WeakPolarHBondContact O-CB 3.43Å; E329-S333 PolarHBondContact O-N 3.2Å; Q330-S333 WeakPolarHBondContact O-CB 3.46Å; Q330-S333 PolarHBondContact O-N 3.05Å; F331-S333 VanDerWaalsContact C-N 3.33Å; F331-S333 PolarHBondContact O-N 2.86Å; S333-L335 VanDerWaalsContact C-N 3.33Å; S333-M336 PolarHBondContact O-N 2.72Å
334	I	86.6	Confident	82.8	Confident	39 Å²	39	60.2 Å²	60.2	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-38.8	177.1	-63.9	163.5	0	0	0	110.3	A234 M238 Q330 F331 M336 E337	A234-I334 HydrophobicContact CB-CG2 3.57Å; M238-I334 HydrophobicContact CG-CD1 3.44Å; M238-I334 VanDerWaalsContact CG-CD1 3.44Å; M238-I334 HydrophobicContact SD-CD1 3.68Å; Q330-I334 HydrophobicContact CG-CD1 4.03Å; Q330-I334 WeakPolarHBondContact O-CG1 3.28Å; Q330-I334 PolarHBondContact O-N 3.06Å; F331-I334 PolarHBondContact O-N 2.85Å; I334-M336 VanDerWaalsContact C-N 3.27Å; I334-M336 PolarHBondContact O-N 2.76Å; I334-E337 WeakPolarHBondContact O-CB 3.47Å; I334-E337 PolarHBondContact O-N 3.23Å
335	L	87.1	Confident	82.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-36	177.2	-173.2	77.4	0	0	0	112.4	M227 A231 F293 F331 V332 S333 E337 S338 I339	M227-L335 HydrophobicContact CE-CD1 4.42Å; M227-L335 HydrophobicContact CE-CD2 4.29Å; M227-L335 HydrophobicContact CE-CG 4.32Å; A231-L335 HydrophobicContact CB-CD1 3.91Å; F293-L335 HydrophobicContact CD1-CD2 3.36Å; F293-L335 HydrophobicContact CE1-CD1 4.18Å; F293-L335 HydrophobicContact CE1-CD2 3.15Å; F293-L335 HydrophobicContact CE1-CG 4.28Å; F293-L335 HydrophobicContact CE2-CD1 4.33Å; F293-L335 HydrophobicContact CG-CD2 4.18Å; F293-L335 HydrophobicContact CZ-CD1 4Å; F293-L335 HydrophobicContact CZ-CD2 3.84Å; F331-L335 WeakPolarHBondContact O-CB 3.31Å; F331-L335 PolarHBondContact O-N 2.94Å; V332-L335 WeakPolarHBondContact O-CB 3.33Å; V332-L335 PolarHBondContact O-N 3.29Å; S333-L335 VanDerWaalsContact C-N 3.33Å; L335-E337 VanDerWaalsContact C-N 3.25Å; L335-E337 PolarHBondContact O-N 3.09Å; L335-S338 WeakPolarHBondContact O-CA 3.43Å; L335-S338 VanDerWaalsContact O-CB 3.27Å; L335-S338 WeakPolarHBondContact O-CB 3.45Å; L335-S338 PolarHBondContact O-N 2.69Å; L335-S338 PolarHBondContact O-OG 3.28Å; L335-I339 PolarHBondContact O-N 3.45Å
336	M	89	Confident	82.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-33.8	178.1	-70.1	-58.2	116.2	0	0	113.3	V84 V86 L130 N131 R133 V169 V332 S333 I334 S338 I339	V84-M336 HydrophobicContact CB-SD 4.36Å; V84-M336 HydrophobicContact CG1-CE 4.15Å; V84-M336 HydrophobicContact CG1-SD 4.01Å; V84-M336 HydrophobicContact CG2-SD 4.38Å; V86-M336 HydrophobicContact CG2-CE 4.37Å; L130-M336 HydrophobicContact CB-CG 4.21Å; L130-M336 HydrophobicContact CD2-CG 3.53Å; L130-M336 HydrophobicContact CD2-SD 4.36Å; L130-M336 HydrophobicContact CG-CG 3.92Å; N131-M336 HydrophobicContact CB-CB 4.44Å; R133-M336 HydrophobicContact CB-CB 4.13Å; R133-M336 HydrophobicContact CB-SD 4.5Å; R133-M336 HydrophobicContact CG-SD 4.36Å; V169-M336 HydrophobicContact CG2-CE 4.04Å; V332-M336 HydrophobicContact CG1-CE 3.85Å; V332-M336 WeakPolarHBondContact O-CG 2.97Å; V332-M336 PolarHBondContact O-N 2.69Å; S333-M336 PolarHBondContact O-N 2.72Å; I334-M336 VanDerWaalsContact C-N 3.27Å; I334-M336 PolarHBondContact O-N 2.76Å; M336-S338 PolarHBondContact O-N 2.96Å; M336-I339 HydrophobicContact CE-CD1 3.83Å; M336-I339 PolarHBondContact O-N 3.28Å; M336-I339 HydrophobicContact SD-CD1 3.83Å
337	E	85.7	Confident	82.5	Confident	122 Å²	122	59.8 Å²	59.8	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-66.7	-31.6	174.6	-59.8	178.8	174.1	0	0	111.4	N131 I334 L335 I339	N131-E337 VanDerWaalsContact ND2-CD 3.25Å; N131-E337 WeakPolarHBondContact ND2-CG 3.37Å; N131-E337 PolarHBondContact ND2-OE1 3.08Å; I334-E337 WeakPolarHBondContact O-CB 3.47Å; I334-E337 PolarHBondContact O-N 3.23Å; L335-E337 VanDerWaalsContact C-N 3.25Å; L335-E337 PolarHBondContact O-N 3.09Å; E337-I339 VanDerWaalsContact C-N 3.3Å; E337-I339 PolarHBondContact O-N 3.23Å
338	S	84.4	Confident	82.2	Confident	21 Å²	21	60.8 Å²	60.8	15%	0.147	30%	0.302	C	S	.	.	H	α-helix	trans	-76.8	-17.2	-177.1	91.2	0	0	0	0	113.1	K230 L335 M336	K230-S338 WeakPolarHBondContact CD-O 3.09Å; K230-S338 PolarHBondContact NZ-O 3.34Å; L335-S338 WeakPolarHBondContact O-CA 3.43Å; L335-S338 VanDerWaalsContact O-CB 3.27Å; L335-S338 WeakPolarHBondContact O-CB 3.45Å; L335-S338 PolarHBondContact O-N 2.69Å; L335-S338 PolarHBondContact O-OG 3.28Å; M336-S338 PolarHBondContact O-N 2.96Å
339	I	87	Confident	81.9	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	-72.4	123.4	176.7	-63.5	172.1	0	0	0	108.7	V84 R133 T167 M227 L335 M336 E337	V84-I339 HydrophobicContact CB-CD1 4.47Å; V84-I339 HydrophobicContact CG1-CD1 3.95Å; V84-I339 HydrophobicContact CG2-CD1 3.65Å; V84-I339 HydrophobicContact CG2-CG2 4.12Å; R133-I339 PolarHBondContact NH2-O 2.98Å; T167-I339 HydrophobicContact CG2-CD1 4.12Å; T167-I339 HydrophobicContact CG2-CG2 4.48Å; M227-I339 HydrophobicContact CE-CD1 3.99Å; M227-I339 HydrophobicContact CE-CG1 3.62Å; M227-I339 HydrophobicContact SD-CG1 4.49Å; L335-I339 PolarHBondContact O-N 3.45Å; M336-I339 HydrophobicContact CE-CD1 3.83Å; M336-I339 PolarHBondContact O-N 3.28Å; M336-I339 HydrophobicContact SD-CD1 3.83Å; E337-I339 VanDerWaalsContact C-N 3.3Å; E337-I339 PolarHBondContact O-N 3.23Å
340	P	84.8	Confident	81.8	Confident	47 Å²	47	65.9 Å²	65.9	31%	0.305	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-56.9	141.7	177	-21.7	32.4	0	0	0	111.2	Q83	Q83-P340 PolarHBondContact NE2-O 3.13Å
341	P	82.7	Confident	81.4	Confident	91 Å²	91	64.1 Å²	64.1	59%	0.591	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-59.5	157.7	167.4	29.1	-33.5	0	0	0	110.4	E343	P341-E343 PolarHBondContact O-N 3.11Å
342	R	78.4	Confident	80.8	Confident	93 Å²	93	69 Å²	69	35%	0.351	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-55.5	128.7	173.1	-78.6	-174.5	-177.9	154.8	6	108.6	P82 Q83 G164 D166 H344	P82-R342 PolarHBondContact O-NH2 2.68Å; Q83-R342 HydrophobicContact CG-CG 3.87Å; Q83-R342 VanDerWaalsContact NE2-N 3.1Å; G164-R342 VanDerWaalsContact O-CZ 3.28Å; G164-R342 PolarHBondContact O-NE 3Å; G164-R342 PolarHBondContact O-NH2 2.69Å; D166-R342 VanDerWaalsContact OD2-CG 3.3Å; D166-R342 WeakPolarHBondContact OD2-CG 3.39Å; R342-H344 PolarHBondContact O-N 3.21Å
343	E	63.8	Low	80.1	Confident	191 Å²	191	74.6 Å²	74.6	89%	0.893	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-69.7	127	162.8	-65.5	-178.9	179.8	0	0	106.7	P341	P341-E343 PolarHBondContact O-N 3.11Å
344	H	45.9	Very low	79.6	Confident	257 Å²	257	78.5 Å²	78.5	100%	1.19	39%	0.387	S	S	*	.			trans	-76.1	0	-176	-79.2	-61.3	0	0	0	112.7	R342	R342-H344 PolarHBondContact O-N 3.21Å

Retrieved 344 of 344 residues in 105.4 ms (Link to these results)

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