A0A077ZEY1_TRITR Loading...

glutaminase

AlphaFold DB , UniProt , Accession A0A077ZEY1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 567 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	28.1	Very low	249 Å²	249	153.4 Å²	153.4	100%	1.227	85%	0.852	S	S	*	*				0	145.8	0	-76.5	178	-176.6	0	0	107.7
2	S	31.1	Very low	28.2	Very low	105 Å²	105	155.1 Å²	155.1	73%	0.734	86%	0.857	S	S	*	*			trans	-45.4	159.1	-155.4	52.9	0	0	0	0	120.1
3	P	34.1	Very low	28.2	Very low	123 Å²	123	153.1 Å²	153.1	80%	0.799	85%	0.852	S	S	*	*			trans	-88.7	147.1	-178.5	37.1	-31.5	0	0	0	111.8
4	V	32.8	Very low	28.1	Very low	141 Å²	141	156.8 Å²	156.8	86%	0.855	86%	0.855	S	S	*	*			trans	-132.9	135.8	166.3	178	0	0	0	0	108.5
5	G	28.8	Very low	28.1	Very low	74 Å²	74	158.4 Å²	158.4	76%	0.763	85%	0.854	S	S	*	*			trans	-67.9	150.7	-165.6	0	0	0	0	0	114.8
6	I	23.9	Very low	28.1	Very low	154 Å²	154	156.8 Å²	156.8	79%	0.79	85%	0.845	S	S	*	*			trans	-84.4	130.7	170.7	-61	167.4	0	0	0	107.4
7	N	25.4	Very low	28.2	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	84%	0.844	S	S	*	*			trans	163.1	97.8	135.9	-84.9	-25.5	0	0	0	110.5
8	E	27	Very low	28.2	Very low	192 Å²	192	156.4 Å²	156.4	90%	0.897	84%	0.839	S	S	*	*			trans	-127.1	103.9	153.7	-83.3	-170.9	162	0	0	108.9
9	L	23.9	Very low	27.9	Very low	164 Å²	164	159.2 Å²	159.2	86%	0.859	84%	0.838	S	S	*	*			trans	-83.5	117.2	168.5	-141	95.1	0	0	0	107
10	H	25.2	Very low	27.8	Very low	172 Å²	172	157.4 Å²	157.4	80%	0.796	83%	0.827	S	S	*	*			trans	-132.1	144.1	168.2	-100.6	24.1	0	0	0	109.1
11	L	25.2	Very low	27.7	Very low	168 Å²	168	153.7 Å²	153.7	88%	0.88	81%	0.813	S	S	*	*			trans	101.7	80.1	174.8	-57.9	153.3	0	0	0	115.2
12	L	29.1	Very low	27.3	Very low	174 Å²	174	148.5 Å²	148.5	91%	0.911	80%	0.795	S	S	*	*			trans	-123.9	127.4	145.2	-85.9	166.3	0	0	0	109.3
13	T	28.5	Very low	27	Very low	129 Å²	129	153.4 Å²	153.4	79%	0.791	80%	0.798	S	S	*	*			trans	-76.7	148.3	-166.9	40.6	0	0	0	0	113.3	E15	T13-E15 PolarHBondContact O-N 3.33Å
14	K	27.1	Very low	26.6	Very low	205 Å²	205	153.3 Å²	153.3	89%	0.891	80%	0.795	S	S	*	*			trans	-62	110.3	171.4	-69.6	173.8	174.1	178.1	0	110.7
15	E	27.1	Very low	26.1	Very low	181 Å²	181	154.2 Å²	154.2	85%	0.846	79%	0.793	S	S	*	*			trans	-173.9	139.8	148.8	-105	165.4	-156.1	0	0	107.8	T13	T13-E15 PolarHBondContact O-N 3.33Å
16	N	29.3	Very low	26	Very low	133 Å²	133	155.7 Å²	155.7	71%	0.711	79%	0.788	S	S	*	*			trans	79.8	74.3	-173.3	-52.3	-29.1	0	0	0	115.6	F18	N16-F18 HydrophobicContact CB-CD2 4.37Å; N16-F18 HydrophobicContact CB-CE2 4.24Å; N16-F18 PolarHBondContact O-N 2.76Å
17	V	28.8	Very low	26.2	Very low	136 Å²	136	151.8 Å²	151.8	82%	0.824	78%	0.778	S	S	*	*			trans	-57.1	94	148.1	177.3	0	0	0	0	106.9	Y19	V17-Y19 VanDerWaalsContact C-N 3.34Å; V17-Y19 PolarHBondContact O-N 2.82Å
18	F	28.2	Very low	26.2	Very low	171 Å²	171	149.6 Å²	149.6	75%	0.75	78%	0.78	S	S	*	*			trans	-63.4	103.5	161.6	-83.2	-87.6	0	0	0	106.6	N16 I20	N16-F18 HydrophobicContact CB-CD2 4.37Å; N16-F18 HydrophobicContact CB-CE2 4.24Å; N16-F18 PolarHBondContact O-N 2.76Å; F18-I20 HydrophobicContact CB-CG1 4.24Å; F18-I20 PolarHBondContact O-N 3.49Å
19	Y	23.6	Very low	26	Very low	209 Å²	209	146.6 Å²	146.6	82%	0.82	77%	0.769	S	S	*	*			trans	-67.2	82.1	166	-145.6	-92.3	0	0	0	106.8	V17 P21	V17-Y19 VanDerWaalsContact C-N 3.34Å; V17-Y19 PolarHBondContact O-N 2.82Å; Y19-P21 WeakPolarHBondContact O-CD 3.3Å
20	I	24.9	Very low	26	Very low	122 Å²	122	143.1 Å²	143.1	63%	0.626	76%	0.757	S	S	*	*			trans	-75.3	112.3	166.4	-58.1	174.9	0	0	0	104.4	F18 T22	F18-I20 HydrophobicContact CB-CG1 4.24Å; F18-I20 PolarHBondContact O-N 3.49Å; I20-T22 PolarHBondContact O-N 3.22Å
21	P	24.9	Very low	26.5	Very low	81 Å²	81	143 Å²	143	53%	0.526	76%	0.761	S	S	.	*			trans	-57.1	129.4	178.3	-4.1	12.6	0	0	0	108.1	Y19 W23	Y19-P21 WeakPolarHBondContact O-CD 3.3Å; P21-W23 PolarHBondContact O-N 2.81Å
22	T	24.1	Very low	26.7	Very low	139 Å²	139	142.4 Å²	142.4	85%	0.853	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	36.4	-178.3	35.9	0	0	0	0	114.2	I20	I20-T22 PolarHBondContact O-N 3.22Å
23	W	25.4	Very low	26.6	Very low	208 Å²	208	136.6 Å²	136.6	79%	0.788	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	7.2	-178.7	-72.8	99.9	0	0	0	114.7	P21	P21-W23 PolarHBondContact O-N 2.81Å
24	T	25.5	Very low	26.6	Very low	121 Å²	121	134 Å²	134	74%	0.742	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	9.4	175.3	-32	0	0	0	0	114.3
25	I	23.5	Very low	27.1	Very low	160 Å²	160	131.3 Å²	131.3	82%	0.821	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	44.9	172.9	-41.8	173.1	0	0	0	111.2
26	V	26.5	Very low	27.3	Very low	106 Å²	106	129.3 Å²	129.3	64%	0.642	70%	0.695	S	S	*	*	S	Bend	trans	-97.5	87.6	134.6	-177.2	0	0	0	0	104.2	A28	V26-A28 PolarHBondContact O-N 3.09Å
27	A	26.3	Very low	27.6	Very low	72 Å²	72	124 Å²	124	60%	0.595	67%	0.666	S	S	*	*			trans	-44.7	135.1	170.2	0	0	0	0	0	108.4	L29	A27-L29 VanDerWaalsContact C-N 3.3Å; A27-L29 PolarHBondContact O-N 3.01Å
28	A	25.8	Very low	28.1	Very low	98 Å²	98	120.8 Å²	120.8	81%	0.81	65%	0.649	S	S	*	*			trans	-38.7	97.5	166.7	0	0	0	0	0	109.3	V26 P30	V26-A28 PolarHBondContact O-N 3.09Å; A28-P30 WeakPolarHBondContact O-CD 3.14Å
29	L	23.4	Very low	28.7	Very low	129 Å²	129	113.9 Å²	113.9	68%	0.675	62%	0.621	S	S	*	*			trans	-64	121.4	165.1	-79.4	164.7	0	0	0	104	A27 L31	A27-L29 VanDerWaalsContact C-N 3.3Å; A27-L29 PolarHBondContact O-N 3.01Å; L29-L31 PolarHBondContact O-N 3.35Å
30	P	24.7	Very low	29.5	Very low	92 Å²	92	105.2 Å²	105.2	60%	0.597	59%	0.59	S	S	*	*			trans	-53.9	139.6	-178.6	16.9	-26.3	0	0	0	109	A28 D32 S33	A28-P30 WeakPolarHBondContact O-CD 3.14Å; P30-D32 PolarHBondContact O-N 3.1Å; P30-S33 PolarHBondContact O-N 2.72Å
31	L	35	Very low	30.3	Very low	169 Å²	169	103.8 Å²	103.8	89%	0.885	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.3	-16.4	-177.1	-81.7	147.7	0	0	0	114.1	L29	L29-L31 PolarHBondContact O-N 3.35Å
32	D	28.9	Very low	31.3	Very low	155 Å²	155	104.4 Å²	104.4	83%	0.829	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	9.1	-179.1	-65.4	-29.3	0	0	0	115.4	P30 P34	P30-D32 PolarHBondContact O-N 3.1Å; D32-P34 VanDerWaalsContact O-CD 3.31Å; D32-P34 WeakPolarHBondContact O-CD 3.43Å
33	S	28.1	Very low	32.9	Very low	52 Å²	52	100.2 Å²	100.2	36%	0.364	59%	0.588	S	S	.	*	S	Bend	trans	-74.4	119.2	169.2	64.6	0	0	0	0	110.2	P30 K35	P30-S33 PolarHBondContact O-N 2.72Å; S33-K35 PolarHBondContact O-N 2.9Å; S33-K35 VanDerWaalsContact O-N 3.08Å
34	P	28.4	Very low	35	Very low	75 Å²	75	91.9 Å²	91.9	49%	0.487	56%	0.558	S	S	.	*			trans	-61.7	116.4	178.5	22.1	-30.3	0	0	0	109.9	D32 F36 A43	D32-P34 VanDerWaalsContact O-CD 3.31Å; D32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-F36 WeakPolarHBondContact O-CD2 3.5Å; P34-F36 PolarHBondContact O-N 2.92Å; P34-F36 VanDerWaalsContact O-N 3.14Å; P34-A43 HydrophobicContact CB-CB 4.04Å
35	K	36.5	Very low	37.8	Very low	148 Å²	148	89.3 Å²	89.3	64%	0.643	54%	0.543	S	S	*	.			trans	-73.1	101.8	171.8	-69	-177.5	177.9	-177.9	0	107.7	S33 L37	S33-K35 PolarHBondContact O-N 2.9Å; S33-K35 VanDerWaalsContact O-N 3.08Å; K35-L37 PolarHBondContact O-N 3.12Å
36	F	30.8	Very low	40.7	Very low	140 Å²	140	84.4 Å²	84.4	61%	0.614	52%	0.518	S	S	*	.			trans	-59.3	128.8	179.1	-72.6	-89.8	0	0	0	111.4	P34 P38	P34-F36 WeakPolarHBondContact O-CD2 3.5Å; P34-F36 PolarHBondContact O-N 2.92Å; P34-F36 VanDerWaalsContact O-N 3.14Å; F36-P38 WeakPolarHBondContact O-CD 3.48Å
37	L	35.9	Very low	43.6	Very low	20 Å²	20	81.2 Å²	81.2	11%	0.105	50%	0.496	C	S	.	.			trans	-80.4	110.4	151.7	-93.5	155.2	0	0	0	106.9	K35 S39 T40 L44 A49 V475	K35-L37 PolarHBondContact O-N 3.12Å; L37-S39 PolarHBondContact O-N 2.8Å; L37-S39 VanDerWaalsContact O-N 3.07Å; L37-T40 PolarHBondContact O-N 3.01Å; L37-L44 HydrophobicContact CD1-CB 4.48Å; L37-L44 HydrophobicContact CD1-CD1 3.62Å; L37-A49 HydrophobicContact CD1-CB 3.88Å; L37-V475 HydrophobicContact CD2-CG1 3.5Å; L37-V475 WeakPolarHBondContact CD2-O 3.49Å
38	P	39	Very low	46.6	Very low	70 Å²	70	79.7 Å²	79.7	46%	0.455	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-7.5	-170.2	-16	28.2	0	0	0	115	F36 G478 C480	F36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-G478 WeakPolarHBondContact CD-O 3.33Å; P38-G478 WeakPolarHBondContact CG-O 3.35Å; P38-C480 HydrophobicContact CB-CB 3.9Å; P38-C480 HydrophobicContact CG-CB 4.26Å
39	S	42	Very low	49.2	Very low	25 Å²	25	75.5 Å²	75.5	18%	0.175	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-11.6	-179.7	69.3	0	0	0	0	114.3	L37 C511	L37-S39 PolarHBondContact O-N 2.8Å; L37-S39 VanDerWaalsContact O-N 3.07Å; S39-C511 WeakPolarHBondContact CB-O 3.36Å; S39-C511 PolarHBondContact OG-O 3.45Å
40	T	39.6	Very low	52.4	Low	27 Å²	27	69.3 Å²	69.3	17%	0.166	41%	0.409	C	S	.	.	S	Bend	trans	-121.7	112.8	172.9	58.6	0	0	0	0	106.9	L37 V42	L37-T40 PolarHBondContact O-N 3.01Å; T40-V42 PolarHBondContact O-N 2.82Å; T40-V42 PolarHBondContact OG1-O 3.2Å
41	G	41.8	Very low	55.5	Low	93 Å²	93	65 Å²	65	96%	0.959	38%	0.381	S	S	*	.	S	Bend	trans	-61.9	20.2	175.6	0	0	0	0	0	115.4
42	V	46.7	Very low	57.9	Low	94 Å²	94	58.4 Å²	58.4	57%	0.57	35%	0.346	S	S	*	.	S	Bend	trans	-115.2	126.3	176.6	-177.1	0	0	0	0	107.4	T40 L44	T40-V42 PolarHBondContact O-N 2.82Å; T40-V42 PolarHBondContact OG1-O 3.2Å; V42-L44 PolarHBondContact O-N 2.96Å
43	A	56.5	Low	60.6	Low	51 Å²	51	51.5 Å²	51.5	42%	0.421	31%	0.309	S	S	.	.			trans	-67	104.3	171.8	0	0	0	0	0	108.9	P34	P34-A43 HydrophobicContact CB-CB 4.04Å
44	L	70.2	Confident	63.5	Low	33 Å²	33	50.2 Å²	50.2	17%	0.173	30%	0.296	C	S	.	.			trans	-78.9	142.4	173	-67.6	167.4	0	0	0	109.4	L37 V42 E48 E52	L37-L44 HydrophobicContact CD1-CB 4.48Å; L37-L44 HydrophobicContact CD1-CD1 3.62Å; V42-L44 PolarHBondContact O-N 2.96Å; L44-E48 WeakPolarHBondContact CA-OE2 3.23Å; L44-E48 HydrophobicContact CB-CB 4.01Å; L44-E48 HydrophobicContact CD2-CB 3.88Å; L44-E48 HydrophobicContact CG-CB 4.49Å; L44-E52 HydrophobicContact CD1-CG 4.23Å
45	T	83.8	Confident	66.5	Low	67 Å²	67	47.3 Å²	47.3	41%	0.411	28%	0.276	S	S	.	.			trans	-68.2	166.9	166.9	82.1	0	0	0	0	110.6	E47 E48 A49	T45-E47 VanDerWaalsContact C-N 3.27Å; T45-E47 VanDerWaalsContact CB-OE2 3.22Å; T45-E47 WeakPolarHBondContact CB-OE2 3.49Å; T45-E47 PolarHBondContact O-N 3.12Å; T45-E47 PolarHBondContact OG1-N 3.02Å; T45-E47 PolarHBondContact OG1-OE2 3.37Å; T45-E48 PolarHBondContact N-OE2 3.05Å; T45-E48 PolarHBondContact O-N 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.2Å; T45-E48 PolarHBondContact OG1-N 2.84Å; T45-A49 PolarHBondContact O-N 3.38Å
46	L	84.4	Confident	68.9	Low	57 Å²	57	42.9 Å²	42.9	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-58.5	-41.2	177.3	-69.9	-174.1	0	0	0	111.8	A49 V50 V122 L123 L126	L46-A49 PolarHBondContact O-N 2.77Å; L46-V50 WeakPolarHBondContact O-CG2 3.22Å; L46-V50 PolarHBondContact O-N 3.49Å; L46-V122 HydrophobicContact CB-CG2 3.96Å; L46-L123 HydrophobicContact CD1-CD2 3.97Å; L46-L126 HydrophobicContact CB-CD1 3.65Å; L46-L126 HydrophobicContact CD1-CD1 3.94Å; L46-L126 HydrophobicContact CD2-CD1 3.68Å; L46-L126 HydrophobicContact CG-CD1 3.94Å
47	E	88.9	Confident	71.3	Confident	39 Å²	39	41.6 Å²	41.6	18%	0.182	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-41.7	177.5	-54.6	78.1	-177.4	0	0	111.4	T45 A49 V50 F51 I115 I118 V122	T45-E47 VanDerWaalsContact C-N 3.27Å; T45-E47 VanDerWaalsContact CB-OE2 3.22Å; T45-E47 WeakPolarHBondContact CB-OE2 3.49Å; T45-E47 PolarHBondContact O-N 3.12Å; T45-E47 PolarHBondContact OG1-N 3.02Å; T45-E47 PolarHBondContact OG1-OE2 3.37Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.48Å; E47-V50 PolarHBondContact O-N 3.15Å; E47-F51 PolarHBondContact O-N 3.24Å; E47-I115 HydrophobicContact CB-CB 4.32Å; E47-I115 HydrophobicContact CB-CD1 4.49Å; E47-I115 HydrophobicContact CB-CG1 3.96Å; E47-I115 HydrophobicContact CB-CG2 3.83Å; E47-I115 HydrophobicContact CG-CG2 4.16Å; E47-I118 HydrophobicContact CB-CD1 3.91Å; E47-I118 HydrophobicContact CB-CG1 4.28Å; E47-I118 HydrophobicContact CG-CD1 4.3Å; E47-I118 HydrophobicContact CG-CG1 4.29Å; E47-V122 HydrophobicContact CG-CB 4.34Å; E47-V122 HydrophobicContact CG-CG2 3.94Å
48	E	87.5	Confident	73.8	Confident	40 Å²	40	44.6 Å²	44.6	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-63.9	-39.1	176	-69.5	-174.6	128.6	0	0	111.6	L44 T45 V50 F51 E52 K111 I115	L44-E48 WeakPolarHBondContact CA-OE2 3.23Å; L44-E48 HydrophobicContact CB-CB 4.01Å; L44-E48 HydrophobicContact CD2-CB 3.88Å; L44-E48 HydrophobicContact CG-CB 4.49Å; T45-E48 PolarHBondContact N-OE2 3.05Å; T45-E48 PolarHBondContact O-N 3.24Å; T45-E48 WeakPolarHBondContact OG1-CG 3.2Å; T45-E48 PolarHBondContact OG1-N 2.84Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V50 PolarHBondContact O-N 3.02Å; E48-F51 PolarHBondContact O-N 3.27Å; E48-E52 VanDerWaalsContact O-CB 3.24Å; E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 VanDerWaalsContact O-CG 3.24Å; E48-E52 WeakPolarHBondContact O-CG 3.36Å; E48-E52 PolarHBondContact O-N 2.97Å; E48-K111 WeakPolarHBondContact OE1-CE 3Å; E48-K111 IonicContact OE1-NZ 2.83Å; E48-K111 PolarHBondContact OE1-NZ 2.88Å; E48-I115 HydrophobicContact CG-CD1 3.86Å
49	A	82.4	Confident	76.1	Confident	9 Å²	9	46 Å²	46	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-44.4	174.5	0	0	0	0	0	111.6	L37 T45 L46 E47 E52 I53	L37-A49 HydrophobicContact CD1-CB 3.88Å; T45-A49 PolarHBondContact O-N 3.38Å; L46-A49 PolarHBondContact O-N 2.77Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.48Å; A49-E52 CarbonylContact O-C 3.6Å; A49-E52 PolarHBondContact O-N 3.04Å; A49-I53 WeakPolarHBondContact O-CD1 3.29Å; A49-I53 WeakPolarHBondContact O-CG1 3.4Å; A49-I53 PolarHBondContact O-N 3.48Å
50	V	88.7	Confident	78.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-46.4	175.9	-179.2	0	0	0	0	110.8	L46 E47 E48 E52 I53 F54 F66 F114 I118 I125 L126 L129	L46-V50 WeakPolarHBondContact O-CG2 3.22Å; L46-V50 PolarHBondContact O-N 3.49Å; E47-V50 PolarHBondContact O-N 3.15Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-V50 PolarHBondContact O-N 3.02Å; V50-E52 VanDerWaalsContact C-N 3.27Å; V50-E52 PolarHBondContact O-N 2.74Å; V50-I53 PolarHBondContact O-N 3.22Å; V50-F54 HydrophobicContact CG1-CD2 4.09Å; V50-F54 HydrophobicContact CG1-CE2 4.45Å; V50-F54 WeakPolarHBondContact O-CD2 3.35Å; V50-F54 PolarHBondContact O-N 3.19Å; V50-F66 HydrophobicContact CG1-CE2 3.98Å; V50-F114 HydrophobicContact CB-CE1 4.43Å; V50-F114 HydrophobicContact CG1-CE1 3.9Å; V50-F114 HydrophobicContact CG1-CZ 3.89Å; V50-I118 HydrophobicContact CB-CD1 3.84Å; V50-I118 HydrophobicContact CG1-CD1 4Å; V50-I118 HydrophobicContact CG2-CD1 4.35Å; V50-I125 HydrophobicContact CG1-CG2 4.36Å; V50-I125 HydrophobicContact CG2-CG2 4.45Å; V50-L126 HydrophobicContact CG2-CD2 3.49Å; V50-L126 VanDerWaalsContact CG2-CD2 3.49Å; V50-L126 HydrophobicContact CG2-CG 3.95Å; V50-L129 HydrophobicContact CG1-CD1 4.24Å
51	F	90.8	Very high	81	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-45.4	175.5	175.6	-98.5	0	0	0	110.7	E47 E48 I53 F54 K55 E59 V61 K111 F114 R510	E47-F51 PolarHBondContact O-N 3.24Å; E48-F51 PolarHBondContact O-N 3.27Å; F51-I53 PolarHBondContact O-N 2.99Å; F51-I53 VanDerWaalsContact O-N 3.11Å; F51-F54 PolarHBondContact O-N 3.49Å; F51-K55 HydrophobicContact CD1-CD 4.18Å; F51-K55 HydrophobicContact CE1-CB 4.04Å; F51-K55 HydrophobicContact CE1-CD 3.45Å; F51-K55 VanDerWaalsContact CE1-CD 3.45Å; F51-K55 HydrophobicContact CE1-CG 4.35Å; F51-K55 HydrophobicContact CE2-CB 3.97Å; F51-K55 HydrophobicContact CZ-CB 3.71Å; F51-K55 HydrophobicContact CZ-CD 3.84Å; F51-K55 HydrophobicContact CZ-CG 4.32Å; F51-K55 PolarHBondContact O-N 2.86Å; F51-E59 WeakPolarHBondContact CZ-O 3.48Å; F51-V61 HydrophobicContact CD2-CG2 3.49Å; F51-V61 VanDerWaalsContact CD2-CG2 3.49Å; F51-V61 HydrophobicContact CE2-CG2 3.69Å; F51-V61 HydrophobicContact CG-CG2 4.5Å; F51-K111 HydrophobicContact CD1-CB 4.21Å; F51-K111 HydrophobicContact CD1-CD 3.97Å; F51-K111 HydrophobicContact CD1-CG 3.74Å; F51-K111 HydrophobicContact CD2-CB 4.14Å; F51-K111 HydrophobicContact CD2-CG 4.17Å; F51-K111 HydrophobicContact CE1-CB 3.76Å; F51-K111 HydrophobicContact CE1-CD 3.9Å; F51-K111 HydrophobicContact CE1-CG 3.75Å; F51-K111 HydrophobicContact CE2-CB 3.71Å; F51-K111 HydrophobicContact CE2-CG 4.2Å; F51-K111 HydrophobicContact CG-CB 4.38Å; F51-K111 HydrophobicContact CG-CG 3.95Å; F51-K111 HydrophobicContact CZ-CB 3.49Å; F51-K111 VanDerWaalsContact CZ-CB 3.49Å; F51-K111 HydrophobicContact CZ-CG 3.99Å; F51-F114 HydrophobicContact CB-CD1 3.89Å; F51-F114 HydrophobicContact CB-CE1 4.14Å; F51-F114 HydrophobicContact CD2-CB 4.21Å; F51-F114 AromaticContact CD2-CD1 3.78Å; F51-F114 HydrophobicContact CD2-CD1 3.78Å; F51-F114 HydrophobicContact CD2-CG 4.26Å; F51-F114 HydrophobicContact CG-CD1 4.34Å; F51-R510 PolarHBondContact O-NH2 3.17Å
52	E	86.2	Confident	83.4	Confident	31 Å²	31	42.5 Å²	42.5	15%	0.145	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	0.2	177.7	-71.3	-58.6	143.4	0	0	114.3	L44 E48 A49 V50 K55 R510	L44-E52 HydrophobicContact CD1-CG 4.23Å; E48-E52 VanDerWaalsContact O-CB 3.24Å; E48-E52 WeakPolarHBondContact O-CB 3.47Å; E48-E52 VanDerWaalsContact O-CG 3.24Å; E48-E52 WeakPolarHBondContact O-CG 3.36Å; E48-E52 PolarHBondContact O-N 2.97Å; A49-E52 CarbonylContact O-C 3.6Å; A49-E52 PolarHBondContact O-N 3.04Å; V50-E52 VanDerWaalsContact C-N 3.27Å; V50-E52 PolarHBondContact O-N 2.74Å; E52-K55 IonicContact OE1-NZ 3.95Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CE 3.39Å; E52-K55 IonicContact OE2-NZ 2.83Å; E52-K55 PolarHBondContact OE2-NZ 3.4Å; E52-R510 VanDerWaalsContact C-NH1 3.28Å; E52-R510 VanDerWaalsContact CA-CZ 3.46Å; E52-R510 VanDerWaalsContact CA-NH1 3.3Å; E52-R510 WeakPolarHBondContact O-CG 3.43Å; E52-R510 PolarHBondContact O-NE 3.46Å; E52-R510 PolarHBondContact O-NH1 2.85Å; E52-R510 PolarHBondContact O-NH2 2.97Å; E52-R510 IonicContact OE2-CZ 2.81Å; E52-R510 IonicContact OE2-NH1 3.79Å; E52-R510 PolarHBondContact OE2-NH1 3.4Å
53	I	85.2	Confident	85.5	Confident	9 Å²	9	38.4 Å²	38.4	5%	0.046	22%	0.215	C	C	.	.	H	α-helix	trans	-106.2	-36.1	169.7	-73.7	156.3	0	0	0	111.8	A49 V50 F51 K472 V475 L476	A49-I53 WeakPolarHBondContact O-CD1 3.29Å; A49-I53 WeakPolarHBondContact O-CG1 3.4Å; A49-I53 PolarHBondContact O-N 3.48Å; V50-I53 PolarHBondContact O-N 3.22Å; F51-I53 PolarHBondContact O-N 2.99Å; F51-I53 VanDerWaalsContact O-N 3.11Å; I53-K472 HydrophobicContact CG2-CB 3.91Å; I53-K472 HydrophobicContact CG2-CD 3.84Å; I53-K472 HydrophobicContact CG2-CG 3.86Å; I53-V475 HydrophobicContact CG1-CG1 4.4Å; I53-L476 HydrophobicContact CD1-CB 4.37Å; I53-L476 HydrophobicContact CD1-CD1 4.1Å; I53-L476 HydrophobicContact CD1-CD2 3.04Å; I53-L476 HydrophobicContact CD1-CG 3.22Å
54	F	89.4	Confident	87.1	Confident	25 Å²	25	38.1 Å²	38.1	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-97.3	-19.1	-170.8	-78.1	-87.4	0	0	0	115.3	V50 F51 V61 F66 A69 L129	V50-F54 HydrophobicContact CG1-CD2 4.09Å; V50-F54 HydrophobicContact CG1-CE2 4.45Å; V50-F54 WeakPolarHBondContact O-CD2 3.35Å; V50-F54 PolarHBondContact O-N 3.19Å; F51-F54 PolarHBondContact O-N 3.49Å; F54-V61 HydrophobicContact CB-CG1 3.81Å; F54-V61 HydrophobicContact CB-CG2 4.04Å; F54-F66 HydrophobicContact CD1-CB 3.99Å; F54-F66 HydrophobicContact CD1-CD2 4.03Å; F54-F66 AromaticContact CD2-CD2 3.96Å; F54-F66 HydrophobicContact CD2-CD2 3.96Å; F54-F66 HydrophobicContact CE1-CB 4.28Å; F54-F66 HydrophobicContact CE1-CD2 4.05Å; F54-F66 AromaticContact CE2-CD2 3.99Å; F54-F66 HydrophobicContact CE2-CD2 3.99Å; F54-F66 HydrophobicContact CE2-CE2 4.41Å; F54-F66 HydrophobicContact CG-CB 4.49Å; F54-F66 AromaticContact CG-CD2 3.99Å; F54-F66 HydrophobicContact CG-CD2 3.99Å; F54-F66 HydrophobicContact CZ-CD2 4.03Å; F54-A69 HydrophobicContact CE1-CB 3.71Å; F54-A69 HydrophobicContact CZ-CB 3.7Å; F54-L129 HydrophobicContact CE2-CD1 3.69Å; F54-L129 HydrophobicContact CE2-CD2 4.15Å; F54-L129 HydrophobicContact CZ-CD1 4.21Å; F54-L129 HydrophobicContact CZ-CD2 3.84Å
55	K	89.9	Confident	88	Confident	14 Å²	14	43.9 Å²	43.9	6%	0.061	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-57.1	142.8	174.2	108.9	-153.4	172.1	178	0	112.6	F51 E52 E59 L60 V61 R510	F51-K55 HydrophobicContact CD1-CD 4.18Å; F51-K55 HydrophobicContact CE1-CB 4.04Å; F51-K55 HydrophobicContact CE1-CD 3.45Å; F51-K55 VanDerWaalsContact CE1-CD 3.45Å; F51-K55 HydrophobicContact CE1-CG 4.35Å; F51-K55 HydrophobicContact CE2-CB 3.97Å; F51-K55 HydrophobicContact CZ-CB 3.71Å; F51-K55 HydrophobicContact CZ-CD 3.84Å; F51-K55 HydrophobicContact CZ-CG 4.32Å; F51-K55 PolarHBondContact O-N 2.86Å; E52-K55 IonicContact OE1-NZ 3.95Å; E52-K55 PolarHBondContact OE1-NZ 2.89Å; E52-K55 WeakPolarHBondContact OE2-CE 3.39Å; E52-K55 IonicContact OE2-NZ 2.83Å; E52-K55 PolarHBondContact OE2-NZ 3.4Å; K55-E59 VanDerWaalsContact CD-OE2 3.23Å; K55-E59 WeakPolarHBondContact CD-OE2 3.41Å; K55-E59 WeakPolarHBondContact CE-OE1 3.21Å; K55-E59 WeakPolarHBondContact CE-OE2 3.44Å; K55-E59 VanDerWaalsContact NZ-CD 3.28Å; K55-E59 IonicContact NZ-OE1 2.62Å; K55-E59 PolarHBondContact NZ-OE1 3.5Å; K55-E59 VanDerWaalsContact NZ-OE1 3.09Å; K55-E59 IonicContact NZ-OE2 3.51Å; K55-E59 PolarHBondContact NZ-OE2 3.12Å; K55-L60 CarbonylContact C-O 3.53Å; K55-L60 WeakPolarHBondContact CA-O 3.34Å; K55-V61 HydrophobicContact CB-CG2 4.23Å; K55-R510 VanDerWaalsContact CA-NH2 3.26Å; K55-R510 VanDerWaalsContact CE-CZ 3.47Å; K55-R510 PolarHBondContact O-NE 2.9Å
56	N	87.3	Confident	88.4	Confident	55 Å²	55	40.7 Å²	40.7	29%	0.294	21%	0.213	S	C	.	.			trans	-89.9	-173.9	174.4	68.4	12.5	0	0	0	111.4	S58 E59 L60	N56-S58 PolarHBondContact O-N 3.23Å; N56-S58 VanDerWaalsContact O-N 3.15Å; N56-S58 WeakPolarHBondContact OD1-CA 3.21Å; N56-S58 WeakPolarHBondContact OD1-CB 3.43Å; N56-S58 PolarHBondContact OD1-N 3.08Å; N56-E59 PolarHBondContact O-N 2.96Å; N56-E59 VanDerWaalsContact O-N 3.07Å; N56-E59 PolarHBondContact OD1-N 3.45Å; N56-L60 WeakPolarHBondContact CB-O 3.48Å; N56-L60 PolarHBondContact N-O 3.31Å; N56-L60 PolarHBondContact ND2-O 2.99Å; N56-L60 PolarHBondContact OD1-N 2.84Å; N56-L60 PolarHBondContact OD1-O 3.3Å; N56-L60 VanDerWaalsContact OD1-O 3.04Å
57	D	81.5	Confident	88.7	Confident	113 Å²	113	40.8 Å²	40.8	60%	0.604	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.6	178.1	-80.6	-17.4	0	0	0	114.6	E59 K509	D57-E59 VanDerWaalsContact C-N 3.34Å; D57-K509 WeakPolarHBondContact OD1-CD 3.49Å; D57-K509 IonicContact OD1-NZ 2.97Å; D57-K509 PolarHBondContact OD1-NZ 3.12Å; D57-K509 IonicContact OD2-NZ 3.91Å; D57-K509 PolarHBondContact OD2-NZ 3.11Å
58	S	87.1	Confident	88.8	Confident	84 Å²	84	43.5 Å²	43.5	59%	0.587	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	11.5	177.7	-53.3	0	0	0	0	112.9	N56 L60	N56-S58 PolarHBondContact O-N 3.23Å; N56-S58 VanDerWaalsContact O-N 3.15Å; N56-S58 WeakPolarHBondContact OD1-CA 3.21Å; N56-S58 WeakPolarHBondContact OD1-CB 3.43Å; N56-S58 PolarHBondContact OD1-N 3.08Å; S58-L60 PolarHBondContact O-N 3.18Å
59	E	88.9	Confident	88.9	Confident	100 Å²	100	42.2 Å²	42.2	47%	0.467	23%	0.23	S	C	.	.	S	Bend	trans	62.1	28.5	-174.6	-58	-77.5	142.6	0	0	113.2	F51 K55 N56 D57	F51-E59 WeakPolarHBondContact CZ-O 3.48Å; K55-E59 VanDerWaalsContact CD-OE2 3.23Å; K55-E59 WeakPolarHBondContact CD-OE2 3.41Å; K55-E59 WeakPolarHBondContact CE-OE1 3.21Å; K55-E59 WeakPolarHBondContact CE-OE2 3.44Å; K55-E59 VanDerWaalsContact NZ-CD 3.28Å; K55-E59 IonicContact NZ-OE1 2.62Å; K55-E59 PolarHBondContact NZ-OE1 3.5Å; K55-E59 VanDerWaalsContact NZ-OE1 3.09Å; K55-E59 IonicContact NZ-OE2 3.51Å; K55-E59 PolarHBondContact NZ-OE2 3.12Å; N56-E59 PolarHBondContact O-N 2.96Å; N56-E59 VanDerWaalsContact O-N 3.07Å; N56-E59 PolarHBondContact OD1-N 3.45Å; D57-E59 VanDerWaalsContact C-N 3.34Å
60	L	92.5	Very high	89.4	Confident	49 Å²	49	42 Å²	42	26%	0.257	23%	0.227	S	C	.	.			trans	-120.3	141.6	179.6	-57.5	174.3	0	0	0	111.8	K55 N56 S58 L108 L109 D110	K55-L60 CarbonylContact C-O 3.53Å; K55-L60 WeakPolarHBondContact CA-O 3.34Å; N56-L60 WeakPolarHBondContact CB-O 3.48Å; N56-L60 PolarHBondContact N-O 3.31Å; N56-L60 PolarHBondContact ND2-O 2.99Å; N56-L60 PolarHBondContact OD1-N 2.84Å; N56-L60 PolarHBondContact OD1-O 3.3Å; N56-L60 VanDerWaalsContact OD1-O 3.04Å; S58-L60 PolarHBondContact O-N 3.18Å; L60-L108 HydrophobicContact CB-CB 4.04Å; L60-L108 HydrophobicContact CB-CD2 4.29Å; L60-L108 HydrophobicContact CD1-CB 3.96Å; L60-L108 HydrophobicContact CD1-CD1 4.03Å; L60-L109 CarbonylContact C-O 3.47Å; L60-L109 VanDerWaalsContact CA-O 3.31Å; L60-L109 WeakPolarHBondContact CA-O 3.32Å; L60-D110 HydrophobicContact CD2-CB 4.02Å
61	V	91.9	Very high	89.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	127.3	175	172.8	0	0	0	0	110.6	F51 F54 K55 V63 F66 L108 L109 F114	F51-V61 HydrophobicContact CD2-CG2 3.49Å; F51-V61 VanDerWaalsContact CD2-CG2 3.49Å; F51-V61 HydrophobicContact CE2-CG2 3.69Å; F51-V61 HydrophobicContact CG-CG2 4.5Å; F54-V61 HydrophobicContact CB-CG1 3.81Å; F54-V61 HydrophobicContact CB-CG2 4.04Å; K55-V61 HydrophobicContact CB-CG2 4.23Å; V61-V63 PolarHBondContact O-N 3.28Å; V61-F66 HydrophobicContact CG1-CB 4.29Å; V61-L108 WeakPolarHBondContact O-CA 3.48Å; V61-L109 PolarHBondContact N-O 3.21Å; V61-L109 PolarHBondContact O-N 3.18Å; V61-F114 HydrophobicContact CB-CD2 3.86Å; V61-F114 HydrophobicContact CB-CE2 4.22Å; V61-F114 HydrophobicContact CB-CG 4.12Å; V61-F114 HydrophobicContact CG1-CD2 3.67Å; V61-F114 HydrophobicContact CG1-CE2 3.55Å; V61-F114 HydrophobicContact CG1-CG 4.36Å; V61-F114 HydrophobicContact CG1-CZ 4.12Å; V61-F114 HydrophobicContact CG2-CB 4.45Å; V61-F114 HydrophobicContact CG2-CD1 4.04Å; V61-F114 HydrophobicContact CG2-CD2 4.09Å; V61-F114 HydrophobicContact CG2-CE1 4.29Å; V61-F114 HydrophobicContact CG2-CE2 4.36Å; V61-F114 HydrophobicContact CG2-CG 3.91Å; V61-F114 HydrophobicContact CG2-CZ 4.44Å
62	S	91.1	Very high	89.6	Confident	21 Å²	21	53.9 Å²	53.9	15%	0.147	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	109.9	168.8	175.6	0	0	0	0	110.5	K65 F66	S62-K65 PolarHBondContact O-N 3.37Å; S62-F66 PolarHBondContact O-N 2.8Å
63	V	91.7	Very high	89.9	Confident	8 Å²	8	53 Å²	53	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-44	178.7	175.6	0	0	0	0	112.4	V61 K65 F66 L67 L89 L107 L109	V61-V63 PolarHBondContact O-N 3.28Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 2.99Å; V63-F66 PolarHBondContact O-N 3.07Å; V63-L67 HydrophobicContact CG1-CD1 3.75Å; V63-L67 HydrophobicContact CG1-CG 4.05Å; V63-L67 WeakPolarHBondContact O-CB 3.49Å; V63-L67 WeakPolarHBondContact O-CG 3.28Å; V63-L67 PolarHBondContact O-N 2.9Å; V63-L89 HydrophobicContact CG1-CD1 3.95Å; V63-L89 HydrophobicContact CG1-CD2 4.06Å; V63-L89 HydrophobicContact CG2-CD2 3.92Å; V63-L107 HydrophobicContact CB-CB 4.17Å; V63-L107 HydrophobicContact CB-CD2 4.12Å; V63-L107 HydrophobicContact CB-CG 4.19Å; V63-L107 HydrophobicContact CG1-CD2 4.27Å; V63-L107 HydrophobicContact CG2-CB 4.26Å; V63-L107 HydrophobicContact CG2-CD2 3.78Å; V63-L107 HydrophobicContact CG2-CG 3.77Å; V63-L107 PolarHBondContact N-O 2.78Å; V63-L109 HydrophobicContact CG2-CD1 3.55Å; V63-L109 HydrophobicContact CG2-CG 3.67Å
64	P	89.4	Confident	90.4	Very high	46 Å²	46	52.6 Å²	52.6	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-58	-42.1	175.2	-21.7	27.8	0	0	0	113.7	T68 H105	P64-T68 VanDerWaalsContact O-CB 3.3Å; P64-T68 WeakPolarHBondContact O-CB 3.29Å; P64-T68 PolarHBondContact O-N 3.36Å; P64-T68 PolarHBondContact O-OG1 3.3Å; P64-H105 WeakPolarHBondContact CG-O 3.35Å
65	K	89.4	Confident	90.7	Very high	153 Å²	153	51.5 Å²	51.5	67%	0.665	27%	0.273	S	S	*	.	H	α-helix	trans	-65.9	-43.6	177.8	-70.6	-174.8	179.8	-177.2	0	111.4	S62 V63 T68 A69	S62-K65 PolarHBondContact O-N 3.37Å; V63-K65 VanDerWaalsContact C-N 3.34Å; V63-K65 PolarHBondContact O-N 2.99Å; K65-T68 PolarHBondContact O-N 3.49Å; K65-A69 PolarHBondContact O-N 3.04Å
66	F	91.3	Very high	90.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-49.2	176.2	173.9	-108.6	0	0	0	112.3	V50 F54 V61 S62 V63 T68 A69 L70 L85 F114 I118 I125 L129	V50-F66 HydrophobicContact CG1-CE2 3.98Å; F54-F66 HydrophobicContact CD1-CB 3.99Å; F54-F66 HydrophobicContact CD1-CD2 4.03Å; F54-F66 AromaticContact CD2-CD2 3.96Å; F54-F66 HydrophobicContact CD2-CD2 3.96Å; F54-F66 HydrophobicContact CE1-CB 4.28Å; F54-F66 HydrophobicContact CE1-CD2 4.05Å; F54-F66 AromaticContact CE2-CD2 3.99Å; F54-F66 HydrophobicContact CE2-CD2 3.99Å; F54-F66 HydrophobicContact CE2-CE2 4.41Å; F54-F66 HydrophobicContact CG-CB 4.49Å; F54-F66 AromaticContact CG-CD2 3.99Å; F54-F66 HydrophobicContact CG-CD2 3.99Å; F54-F66 HydrophobicContact CZ-CD2 4.03Å; V61-F66 HydrophobicContact CG1-CB 4.29Å; S62-F66 PolarHBondContact O-N 2.8Å; V63-F66 PolarHBondContact O-N 3.07Å; F66-T68 VanDerWaalsContact C-N 3.3Å; F66-T68 PolarHBondContact O-N 3.09Å; F66-A69 WeakPolarHBondContact O-CB 3.38Å; F66-A69 PolarHBondContact O-N 3.48Å; F66-L70 HydrophobicContact CD1-CD1 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.64Å; F66-L70 HydrophobicContact CE1-CG 4.49Å; F66-L70 HydrophobicContact CE2-CD1 4.27Å; F66-L70 HydrophobicContact CE2-CG 4.38Å; F66-L70 HydrophobicContact CZ-CD1 3.62Å; F66-L70 HydrophobicContact CZ-CG 4.21Å; F66-L70 PolarHBondContact O-N 2.94Å; F66-L85 HydrophobicContact CE1-CD1 4.19Å; F66-L85 HydrophobicContact CE1-CD2 4.03Å; F66-F114 HydrophobicContact CD1-CE2 4.08Å; F66-F114 HydrophobicContact CD2-CE2 4.26Å; F66-F114 HydrophobicContact CD2-CZ 4.04Å; F66-F114 HydrophobicContact CE1-CE2 4.21Å; F66-F114 HydrophobicContact CE1-CZ 4.49Å; F66-F114 HydrophobicContact CE2-CE2 4.39Å; F66-F114 AromaticContact CE2-CZ 3.95Å; F66-F114 HydrophobicContact CE2-CZ 3.95Å; F66-F114 HydrophobicContact CG-CE2 4.1Å; F66-F114 HydrophobicContact CG-CZ 4.35Å; F66-F114 HydrophobicContact CZ-CE2 4.37Å; F66-F114 HydrophobicContact CZ-CZ 4.18Å; F66-I118 HydrophobicContact CE1-CG2 4.17Å; F66-I118 HydrophobicContact CZ-CG2 3.91Å; F66-I125 HydrophobicContact CE2-CG2 4.04Å; F66-I125 HydrophobicContact CZ-CD1 4.22Å; F66-I125 HydrophobicContact CZ-CG1 4.47Å; F66-I125 HydrophobicContact CZ-CG2 3.93Å; F66-L129 HydrophobicContact CE2-CD1 4.29Å
67	L	91.9	Very high	90.9	Very high	60 Å²	60	61.3 Å²	61.3	31%	0.314	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-33.8	177.3	-68.2	178.4	0	0	0	112.5	V63 L70 R71 L86 L89	V63-L67 HydrophobicContact CG1-CD1 3.75Å; V63-L67 HydrophobicContact CG1-CG 4.05Å; V63-L67 WeakPolarHBondContact O-CB 3.49Å; V63-L67 WeakPolarHBondContact O-CG 3.28Å; V63-L67 PolarHBondContact O-N 2.9Å; L67-L70 PolarHBondContact O-N 2.87Å; L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 PolarHBondContact O-N 3.45Å; L67-L86 HydrophobicContact CD2-CD2 4.25Å; L67-L89 HydrophobicContact CD1-CD1 4.46Å; L67-L89 HydrophobicContact CD2-CD1 4.02Å; L67-L89 HydrophobicContact CG-CD1 4.48Å
68	T	90.8	Very high	91.2	Very high	96 Å²	96	60.1 Å²	60.1	59%	0.589	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-42.5	174.4	-59.5	0	0	0	0	111.2	P64 K65 F66 R71 S72	P64-T68 VanDerWaalsContact O-CB 3.3Å; P64-T68 WeakPolarHBondContact O-CB 3.29Å; P64-T68 PolarHBondContact O-N 3.36Å; P64-T68 PolarHBondContact O-OG1 3.3Å; K65-T68 PolarHBondContact O-N 3.49Å; F66-T68 VanDerWaalsContact C-N 3.3Å; F66-T68 PolarHBondContact O-N 3.09Å; T68-R71 PolarHBondContact O-N 2.9Å; T68-S72 PolarHBondContact O-N 2.94Å
69	A	89.5	Confident	91.5	Very high	13 Å²	13	56.5 Å²	56.5	11%	0.107	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-48.3	174.9	0	0	0	0	0	111.1	F54 K65 F66 R71 S72 L129	F54-A69 HydrophobicContact CE1-CB 3.71Å; F54-A69 HydrophobicContact CZ-CB 3.7Å; K65-A69 PolarHBondContact O-N 3.04Å; F66-A69 WeakPolarHBondContact O-CB 3.38Å; F66-A69 PolarHBondContact O-N 3.48Å; A69-R71 PolarHBondContact O-N 3.28Å; A69-S72 PolarHBondContact O-N 3.14Å; A69-S72 PolarHBondContact O-OG 3.44Å; A69-L129 HydrophobicContact CB-CD2 4.05Å
70	L	92.1	Very high	91.7	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-45.5	174.7	-71.4	179.6	0	0	0	112.5	F66 L67 S72 T73 L85 I125 A128 L129	F66-L70 HydrophobicContact CD1-CD1 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.64Å; F66-L70 HydrophobicContact CE1-CG 4.49Å; F66-L70 HydrophobicContact CE2-CD1 4.27Å; F66-L70 HydrophobicContact CE2-CG 4.38Å; F66-L70 HydrophobicContact CZ-CD1 3.62Å; F66-L70 HydrophobicContact CZ-CG 4.21Å; F66-L70 PolarHBondContact O-N 2.94Å; L67-L70 PolarHBondContact O-N 2.87Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.5Å; L70-T73 WeakPolarHBondContact O-CB 3.16Å; L70-T73 PolarHBondContact O-N 3.39Å; L70-T73 VanDerWaalsContact O-N 3.09Å; L70-T73 PolarHBondContact O-OG1 3.46Å; L70-L85 HydrophobicContact CD1-CD2 3.96Å; L70-I125 HydrophobicContact CD1-CG1 4.42Å; L70-I125 HydrophobicContact CD2-CG1 4.42Å; L70-I125 HydrophobicContact CD2-CG2 4.25Å; L70-A128 HydrophobicContact CD2-CB 4.18Å; L70-L129 HydrophobicContact CD2-CD2 4.2Å; L70-L129 HydrophobicContact CD2-CG 4.13Å
71	R	91.9	Very high	91.8	Very high	180 Å²	180	54.8 Å²	54.8	68%	0.679	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-35.2	178.9	-171.4	179.4	-177.1	-175.2	-0.3	112.5	L67 T68 A69 T73 G74	L67-R71 WeakPolarHBondContact O-CB 3.43Å; L67-R71 PolarHBondContact O-N 3.45Å; T68-R71 PolarHBondContact O-N 2.9Å; A69-R71 PolarHBondContact O-N 3.28Å; R71-T73 PolarHBondContact O-N 2.96Å; R71-G74 PolarHBondContact O-N 2.94Å
72	S	91.6	Very high	91.9	Very high	71 Å²	71	55.2 Å²	55.2	50%	0.497	28%	0.278	S	S	.	.	H	α-helix	trans	-64	-21.6	178.3	77.2	0	0	0	0	113.5	T68 A69 L70 G74	T68-S72 PolarHBondContact O-N 2.94Å; A69-S72 PolarHBondContact O-N 3.14Å; A69-S72 PolarHBondContact O-OG 3.44Å; L70-S72 VanDerWaalsContact C-N 3.26Å; L70-S72 PolarHBondContact O-N 3.5Å; S72-G74 VanDerWaalsContact C-N 3.28Å; S72-G74 PolarHBondContact O-N 2.99Å
73	T	93.3	Very high	92	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.067	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.3	175.2	73.7	0	0	0	0	113.3	L70 R71 A128 Q185	L70-T73 WeakPolarHBondContact O-CB 3.16Å; L70-T73 PolarHBondContact O-N 3.39Å; L70-T73 VanDerWaalsContact O-N 3.09Å; L70-T73 PolarHBondContact O-OG1 3.46Å; R71-T73 PolarHBondContact O-N 2.96Å; T73-A128 HydrophobicContact CG2-CB 4.09Å; T73-A128 WeakPolarHBondContact CG2-O 2.89Å; T73-Q185 WeakPolarHBondContact O-CG 3.18Å; T73-Q185 PolarHBondContact O-NE2 3.42Å
74	G	96.4	Very high	92.1	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.01	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	-3.5	179.8	0	0	0	0	0	115.2	R71 S72 R186	R71-G74 PolarHBondContact O-N 2.94Å; S72-G74 VanDerWaalsContact C-N 3.28Å; S72-G74 PolarHBondContact O-N 2.99Å; G74-R186 PolarHBondContact O-N 3.1Å
75	L	95.6	Very high	92.3	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.016	29%	0.293	C	S	.	.			trans	-68	131.2	171.4	-64.8	177.9	0	0	0	110.8	L82 L124 A128 F133	L75-L82 HydrophobicContact CB-CD1 4.07Å; L75-L82 HydrophobicContact CD1-CD1 4.26Å; L75-L82 HydrophobicContact CD1-CD2 4.47Å; L75-L124 HydrophobicContact CD1-CG 4.3Å; L75-L124 HydrophobicContact CD2-CD1 4.48Å; L75-A128 HydrophobicContact CD1-CB 3.86Å; L75-F133 HydrophobicContact CD1-CE2 4.2Å; L75-F133 HydrophobicContact CD1-CZ 4.12Å; L75-F133 HydrophobicContact CD2-CE2 4.04Å; L75-F133 HydrophobicContact CD2-CZ 4.03Å; L75-F133 HydrophobicContact CG-CE2 3.94Å; L75-F133 HydrophobicContact CG-CZ 4.2Å
76	Q	92	Very high	92.5	Very high	59 Å²	59	54.3 Å²	54.3	28%	0.276	27%	0.272	S	S	.	.			trans	-90.4	153.7	-179.7	-63.5	-64.1	-27.8	0	0	111.3	S78 D79 R186	Q76-S78 PolarHBondContact O-N 3.06Å; Q76-D79 WeakPolarHBondContact O-CB 3.47Å; Q76-D79 PolarHBondContact O-N 3.41Å; Q76-R186 HydrophobicContact CG-CB 3.61Å; Q76-R186 HydrophobicContact CG-CG 3.9Å; Q76-R186 PolarHBondContact NE2-O 2.92Å
77	R	88.1	Confident	92.5	Very high	215 Å²	215	58.3 Å²	58.3	81%	0.811	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.3	174	-176.7	177.1	173.5	-179.6	-0.5	112.6	D79 L86	R77-D79 VanDerWaalsContact C-N 3.28Å; R77-L86 HydrophobicContact CG-CD1 4.24Å; R77-L86 WeakPolarHBondContact O-CD1 3.13Å
78	S	88.6	Confident	92.6	Very high	89 Å²	89	57.4 Å²	57.4	62%	0.622	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	1.5	176.1	52.6	0	0	0	0	113.6	Q76 P80	Q76-S78 PolarHBondContact O-N 3.06Å; S78-P80 VanDerWaalsContact O-CD 3.27Å; S78-P80 WeakPolarHBondContact O-CD 3.4Å
79	D	92.9	Very high	92.6	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.037	26%	0.261	C	S	.	.			trans	-61.8	118.1	-178.8	-166.2	-46.1	0	0	0	110.5	Q76 R77 R81 L82	Q76-D79 WeakPolarHBondContact O-CB 3.47Å; Q76-D79 PolarHBondContact O-N 3.41Å; R77-D79 VanDerWaalsContact C-N 3.28Å; D79-R81 PolarHBondContact O-N 3.29Å; D79-R81 VanDerWaalsContact O-N 3.13Å; D79-R81 VanDerWaalsContact OD1-CB 3.25Å; D79-R81 WeakPolarHBondContact OD1-CB 3.34Å; D79-R81 WeakPolarHBondContact OD1-CG 3.44Å; D79-R81 IonicContact OD1-CZ 3.77Å; D79-R81 PolarHBondContact OD1-N 3.19Å; D79-R81 IonicContact OD1-NE 3.8Å; D79-R81 PolarHBondContact OD1-NE 3.35Å; D79-R81 IonicContact OD1-NH2 3.7Å; D79-R81 IonicContact OD2-CZ 2.84Å; D79-R81 IonicContact OD2-NE 3.17Å; D79-R81 PolarHBondContact OD2-NE 3.27Å; D79-R81 IonicContact OD2-NH2 3.69Å; D79-R81 PolarHBondContact OD2-NH2 3.06Å; D79-L82 HydrophobicContact CB-CD1 4.3Å; D79-L82 HydrophobicContact CB-CG 4.29Å; D79-L82 PolarHBondContact O-N 3.21Å
80	P	94.4	Very high	92.5	Very high	59 Å²	59	57.5 Å²	57.5	38%	0.383	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-57	-27.8	-179.8	-26.3	35.3	0	0	0	113.7	S78 L82 K83 I343 T344	S78-P80 VanDerWaalsContact O-CD 3.27Å; S78-P80 WeakPolarHBondContact O-CD 3.4Å; P80-L82 PolarHBondContact O-N 3.18Å; P80-K83 WeakPolarHBondContact O-CB 3.42Å; P80-K83 PolarHBondContact O-N 2.89Å; P80-I343 WeakPolarHBondContact CD-O 3.34Å; P80-T344 HydrophobicContact CG-CG2 4.44Å
81	R	94.8	Very high	92.3	Very high	55 Å²	55	62.7 Å²	62.7	21%	0.208	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-74.1	-13.8	179.4	-55.2	168	-64.2	166.8	5.9	113	D79 L124 D183 P342 I343	D79-R81 PolarHBondContact O-N 3.29Å; D79-R81 VanDerWaalsContact O-N 3.13Å; D79-R81 VanDerWaalsContact OD1-CB 3.25Å; D79-R81 WeakPolarHBondContact OD1-CB 3.34Å; D79-R81 WeakPolarHBondContact OD1-CG 3.44Å; D79-R81 IonicContact OD1-CZ 3.77Å; D79-R81 PolarHBondContact OD1-N 3.19Å; D79-R81 IonicContact OD1-NE 3.8Å; D79-R81 PolarHBondContact OD1-NE 3.35Å; D79-R81 IonicContact OD1-NH2 3.7Å; D79-R81 IonicContact OD2-CZ 2.84Å; D79-R81 IonicContact OD2-NE 3.17Å; D79-R81 PolarHBondContact OD2-NE 3.27Å; D79-R81 IonicContact OD2-NH2 3.69Å; D79-R81 PolarHBondContact OD2-NH2 3.06Å; R81-L124 HydrophobicContact CB-CD2 3.51Å; R81-D183 PolarHBondContact NH1-O 3.07Å; R81-D183 PolarHBondContact NH2-O 3.15Å; R81-P342 PolarHBondContact NE-O 2.83Å; R81-P342 PolarHBondContact NH1-O 2.95Å; R81-I343 WeakPolarHBondContact CG-O 3.35Å
82	L	93.7	Very high	92.1	Very high	9 Å²	9	54.6 Å²	54.6	5%	0.047	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-100.4	6.4	173.4	-62.9	-179.4	0	0	0	112.6	L75 D79 P80 S84 L85 L86 L124	L75-L82 HydrophobicContact CB-CD1 4.07Å; L75-L82 HydrophobicContact CD1-CD1 4.26Å; L75-L82 HydrophobicContact CD1-CD2 4.47Å; D79-L82 HydrophobicContact CB-CD1 4.3Å; D79-L82 HydrophobicContact CB-CG 4.29Å; D79-L82 PolarHBondContact O-N 3.21Å; P80-L82 PolarHBondContact O-N 3.18Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.79Å; L82-L85 HydrophobicContact CD2-CD2 4.21Å; L82-L85 PolarHBondContact O-N 3.38Å; L82-L86 HydrophobicContact CB-CD1 4.28Å; L82-L86 HydrophobicContact CB-CG 4.46Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.09Å; L82-L124 HydrophobicContact CD2-CD2 3.92Å; L82-L124 HydrophobicContact CG-CD2 4.44Å
83	K	92.5	Very high	91.6	Very high	135 Å²	135	53.2 Å²	53.2	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-61.4	-38.9	-174.3	-175.4	178.9	-178.9	-179.2	0	112.4	P80 N87	P80-K83 WeakPolarHBondContact O-CB 3.42Å; P80-K83 PolarHBondContact O-N 2.89Å; K83-N87 WeakPolarHBondContact O-CB 3.22Å; K83-N87 PolarHBondContact O-N 3.26Å; K83-N87 PolarHBondContact O-ND2 3.37Å
84	S	94.2	Very high	90.9	Very high	32 Å²	32	57.5 Å²	57.5	22%	0.224	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-52.4	179.8	-168.1	0	0	0	0	110.9	L82 L86 N87 K88 D120 D121	L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.79Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact O-N 2.91Å; S84-N87 PolarHBondContact O-N 3.41Å; S84-K88 WeakPolarHBondContact O-CG 3.21Å; S84-K88 PolarHBondContact O-N 3.01Å; S84-K88 WeakPolarHBondContact OG-CE 3.41Å; S84-D120 PolarHBondContact OG-OD2 3.22Å; S84-D121 WeakPolarHBondContact CB-OD2 3.43Å
85	L	94	Very high	89.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-47.3	-54.1	172.6	171.6	65.6	0	0	0	111.7	F66 L70 L82 N87 K88 L89 C117 I118 D121 I125	F66-L85 HydrophobicContact CE1-CD1 4.19Å; F66-L85 HydrophobicContact CE1-CD2 4.03Å; L70-L85 HydrophobicContact CD1-CD2 3.96Å; L82-L85 HydrophobicContact CD2-CD2 4.21Å; L82-L85 PolarHBondContact O-N 3.38Å; L85-N87 PolarHBondContact O-N 3.36Å; L85-K88 PolarHBondContact O-N 3.48Å; L85-L89 HydrophobicContact CD1-CD1 3.79Å; L85-L89 HydrophobicContact CD1-CG 3.97Å; L85-L89 HydrophobicContact CG-CD1 3.92Å; L85-L89 HydrophobicContact CG-CG 4.42Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 VanDerWaalsContact O-CG 3.25Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.15Å; L85-C117 HydrophobicContact CD1-CB 4.26Å; L85-I118 HydrophobicContact CD1-CG2 3.82Å; L85-D121 WeakPolarHBondContact CB-OD2 3.47Å; L85-D121 PolarHBondContact N-OD2 2.86Å; L85-I125 HydrophobicContact CD2-CD1 4.12Å
86	L	92.2	Very high	87.7	Confident	41 Å²	41	66.2 Å²	66.2	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-38.6	-175.6	-68.2	172.9	0	0	0	112.4	L67 R77 L82 S84 H90	L67-L86 HydrophobicContact CD2-CD2 4.25Å; R77-L86 HydrophobicContact CG-CD1 4.24Å; R77-L86 WeakPolarHBondContact O-CD1 3.13Å; L82-L86 HydrophobicContact CB-CD1 4.28Å; L82-L86 HydrophobicContact CB-CG 4.46Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.26Å; L82-L86 WeakPolarHBondContact O-CG 3.38Å; L82-L86 PolarHBondContact O-N 3.09Å; S84-L86 VanDerWaalsContact C-N 3.32Å; S84-L86 PolarHBondContact O-N 2.91Å; L86-H90 WeakPolarHBondContact O-CB 3.4Å; L86-H90 PolarHBondContact O-N 3.37Å
87	N	92.6	Very high	86	Confident	84 Å²	84	66.8 Å²	66.8	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-44	175.5	-73.7	-20.2	0	0	0	111.6	K83 S84 L85 H90 Q91	K83-N87 WeakPolarHBondContact O-CB 3.22Å; K83-N87 PolarHBondContact O-N 3.26Å; K83-N87 PolarHBondContact O-ND2 3.37Å; S84-N87 PolarHBondContact O-N 3.41Å; L85-N87 PolarHBondContact O-N 3.36Å; N87-H90 PolarHBondContact O-N 3.49Å; N87-Q91 WeakPolarHBondContact O-CG 3.28Å; N87-Q91 PolarHBondContact O-N 3.24Å
88	K	93.6	Very high	84.1	Confident	41 Å²	41	63.8 Å²	63.8	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-39.7	178.7	-69.1	-179	-176.9	176.7	0	112	S84 L85 H90 Q91 A92 K116 C117 D120	S84-K88 WeakPolarHBondContact O-CG 3.21Å; S84-K88 PolarHBondContact O-N 3.01Å; S84-K88 WeakPolarHBondContact OG-CE 3.41Å; L85-K88 PolarHBondContact O-N 3.48Å; K88-H90 VanDerWaalsContact C-N 3.32Å; K88-H90 PolarHBondContact O-N 3.16Å; K88-Q91 PolarHBondContact O-N 3.07Å; K88-A92 WeakPolarHBondContact O-CB 3.34Å; K88-A92 PolarHBondContact O-N 3.4Å; K88-K116 WeakPolarHBondContact CD-O 3.31Å; K88-K116 PolarHBondContact NZ-O 2.89Å; K88-C117 HydrophobicContact CB-CB 4.18Å; K88-D120 WeakPolarHBondContact CE-OD2 3.24Å; K88-D120 IonicContact NZ-OD1 3.48Å; K88-D120 PolarHBondContact NZ-OD1 3.25Å; K88-D120 IonicContact NZ-OD2 3.23Å; K88-D120 PolarHBondContact NZ-OD2 3.33Å
89	L	90.9	Very high	82	Confident	9 Å²	9	67 Å²	67	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-61.9	-40	172.2	-72.3	176.2	0	0	0	111.6	V63 L67 L85 A92 H93 L109 C117	V63-L89 HydrophobicContact CG1-CD1 3.95Å; V63-L89 HydrophobicContact CG1-CD2 4.06Å; V63-L89 HydrophobicContact CG2-CD2 3.92Å; L67-L89 HydrophobicContact CD1-CD1 4.46Å; L67-L89 HydrophobicContact CD2-CD1 4.02Å; L67-L89 HydrophobicContact CG-CD1 4.48Å; L85-L89 HydrophobicContact CD1-CD1 3.79Å; L85-L89 HydrophobicContact CD1-CG 3.97Å; L85-L89 HydrophobicContact CG-CD1 3.92Å; L85-L89 HydrophobicContact CG-CG 4.42Å; L85-L89 WeakPolarHBondContact O-CB 3.4Å; L85-L89 VanDerWaalsContact O-CG 3.25Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.15Å; L89-A92 PolarHBondContact O-N 2.84Å; L89-H93 WeakPolarHBondContact O-CB 3.49Å; L89-H93 PolarHBondContact O-N 2.92Å; L89-L109 HydrophobicContact CD2-CD1 3.5Å; L89-C117 HydrophobicContact CD2-CB 3.99Å; L89-C117 HydrophobicContact CG-CB 4.34Å
90	H	88	Confident	79.4	Confident	103 Å²	103	72.7 Å²	72.7	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-65.7	-42.9	176.1	-171.3	66.7	0	0	0	112.2	L86 N87 K88 H93 Q94	L86-H90 WeakPolarHBondContact O-CB 3.4Å; L86-H90 PolarHBondContact O-N 3.37Å; N87-H90 PolarHBondContact O-N 3.49Å; K88-H90 VanDerWaalsContact C-N 3.32Å; K88-H90 PolarHBondContact O-N 3.16Å; H90-H93 WeakPolarHBondContact O-CB 3.49Å; H90-H93 PolarHBondContact O-N 3.46Å; H90-Q94 PolarHBondContact NE2-NE2 3.22Å; H90-Q94 WeakPolarHBondContact O-CG 3.42Å; H90-Q94 PolarHBondContact O-N 3.34Å
91	Q	88	Confident	76.8	Confident	113 Å²	113	74.8 Å²	74.8	53%	0.528	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-44.2	174.8	-72	173.7	4.5	0	0	111.8	N87 K88 H93 Q94 N95	N87-Q91 WeakPolarHBondContact O-CG 3.28Å; N87-Q91 PolarHBondContact O-N 3.24Å; K88-Q91 PolarHBondContact O-N 3.07Å; Q91-H93 VanDerWaalsContact C-N 3.28Å; Q91-H93 PolarHBondContact O-N 3.1Å; Q91-Q94 PolarHBondContact O-N 2.69Å; Q91-N95 PolarHBondContact O-N 3.3Å; Q91-N95 PolarHBondContact O-ND2 3.38Å
92	A	86.1	Confident	74.1	Confident	10 Å²	10	78.3 Å²	78.3	8%	0.083	41%	0.412	C	S	.	.	H	α-helix	trans	-59.3	-41.3	175.2	0	0	0	0	0	111.3	K88 L89 L96 L109 T113	K88-A92 WeakPolarHBondContact O-CB 3.34Å; K88-A92 PolarHBondContact O-N 3.4Å; L89-A92 PolarHBondContact O-N 2.84Å; A92-L96 WeakPolarHBondContact O-CD1 3.47Å; A92-L96 WeakPolarHBondContact O-CG 3.49Å; A92-L96 PolarHBondContact O-N 3.22Å; A92-L109 HydrophobicContact CB-CD2 4.04Å; A92-T113 HydrophobicContact CB-CG2 3.83Å
93	H	82.5	Confident	71.7	Confident	42 Å²	42	85.2 Å²	85.2	19%	0.194	44%	0.443	C	S	.	.	H	α-helix	trans	-63.7	-47.1	175.1	-173.9	49.8	0	0	0	112.7	L89 H90 Q91 N95 L96 V97 A104 L107	L89-H93 WeakPolarHBondContact O-CB 3.49Å; L89-H93 PolarHBondContact O-N 2.92Å; H90-H93 WeakPolarHBondContact O-CB 3.49Å; H90-H93 PolarHBondContact O-N 3.46Å; Q91-H93 VanDerWaalsContact C-N 3.28Å; Q91-H93 PolarHBondContact O-N 3.1Å; H93-N95 VanDerWaalsContact C-N 3.3Å; H93-N95 PolarHBondContact O-N 3.24Å; H93-L96 PolarHBondContact O-N 3.29Å; H93-L96 VanDerWaalsContact O-N 3.13Å; H93-V97 WeakPolarHBondContact CE1-CG2 3.21Å; H93-V97 WeakPolarHBondContact O-CG2 3.45Å; H93-V97 PolarHBondContact O-N 3.19Å; H93-A104 WeakPolarHBondContact NE2-CB 3.48Å; H93-L107 HydrophobicContact CB-CD1 4.46Å; H93-L107 HydrophobicContact CB-CD2 3.91Å
94	Q	77.7	Confident	69.7	Low	100 Å²	100	81.5 Å²	81.5	47%	0.467	44%	0.438	S	S	.	.	H	α-helix	trans	-61.1	-39	179	-74.8	-178	-19.6	0	0	112.4	H90 Q91 L96 V97 L98	H90-Q94 PolarHBondContact NE2-NE2 3.22Å; H90-Q94 WeakPolarHBondContact O-CG 3.42Å; H90-Q94 PolarHBondContact O-N 3.34Å; Q91-Q94 PolarHBondContact O-N 2.69Å; Q94-L96 VanDerWaalsContact C-N 3.26Å; Q94-L96 PolarHBondContact O-N 2.87Å; Q94-V97 PolarHBondContact O-N 3.45Å; Q94-L98 PolarHBondContact O-N 3.2Å
95	N	66.2	Low	67.9	Low	111 Å²	111	86.7 Å²	86.7	59%	0.594	46%	0.459	S	S	*	.	H	α-helix	trans	-64.7	-31.4	176.9	-67.6	-14.8	0	0	0	112.3	Q91 H93	Q91-N95 PolarHBondContact O-N 3.3Å; Q91-N95 PolarHBondContact O-ND2 3.38Å; H93-N95 VanDerWaalsContact C-N 3.3Å; H93-N95 PolarHBondContact O-N 3.24Å
96	L	58.8	Low	67	Low	77 Å²	77	92.1 Å²	92.1	40%	0.403	49%	0.488	S	S	.	.	H	α-helix	trans	-80.5	-35.2	177.6	-72.1	161.4	0	0	0	113	A92 H93 Q94 L98 E99 D100 L107 L109	A92-L96 WeakPolarHBondContact O-CD1 3.47Å; A92-L96 WeakPolarHBondContact O-CG 3.49Å; A92-L96 PolarHBondContact O-N 3.22Å; H93-L96 PolarHBondContact O-N 3.29Å; H93-L96 VanDerWaalsContact O-N 3.13Å; Q94-L96 VanDerWaalsContact C-N 3.26Å; Q94-L96 PolarHBondContact O-N 2.87Å; L96-L98 PolarHBondContact O-N 3.33Å; L96-E99 PolarHBondContact O-N 3.28Å; L96-D100 PolarHBondContact O-N 3.06Å; L96-L107 HydrophobicContact CD1-CD1 3.35Å; L96-L109 HydrophobicContact CD1-CD2 4.16Å
97	V	56.4	Low	66.6	Low	71 Å²	71	91 Å²	91	43%	0.43	48%	0.482	S	S	.	.	H	α-helix	trans	-68.5	-20.9	178.9	173.3	0	0	0	0	112.3	H93 Q94 E99	H93-V97 WeakPolarHBondContact CE1-CG2 3.21Å; H93-V97 WeakPolarHBondContact O-CG2 3.45Å; H93-V97 PolarHBondContact O-N 3.19Å; Q94-V97 PolarHBondContact O-N 3.45Å; V97-E99 PolarHBondContact O-N 3.13Å
98	L	47.9	Very low	66.6	Low	152 Å²	152	90.5 Å²	90.5	80%	0.796	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-16.5	170.6	-75.2	167.7	0	0	0	113.3	Q94 L96	Q94-L98 PolarHBondContact O-N 3.2Å; L96-L98 PolarHBondContact O-N 3.33Å
99	E	45.2	Very low	66.5	Low	155 Å²	155	88.6 Å²	88.6	72%	0.724	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-35.8	-178.5	-72.1	-174.7	162.7	0	0	113.7	L96 V97	L96-E99 PolarHBondContact O-N 3.28Å; V97-E99 PolarHBondContact O-N 3.13Å
100	D	37.6	Very low	66.7	Low	127 Å²	127	91.4 Å²	91.4	68%	0.679	49%	0.485	S	S	*	.			trans	-153.5	128.9	174.8	-83	-50.9	0	0	0	112.8	L96 I102	L96-D100 PolarHBondContact O-N 3.06Å; D100-I102 PolarHBondContact O-N 3.12Å
101	A	39.4	Very low	66.9	Low	104 Å²	104	90.1 Å²	90.1	86%	0.86	48%	0.478	S	S	*	.			trans	-74.3	81.9	179.3	0	0	0	0	0	111.6
102	I	38.4	Very low	67.2	Low	129 Å²	129	92.4 Å²	92.4	66%	0.662	49%	0.489	S	S	*	.			trans	-126.9	129.5	169.1	-57.4	179	0	0	0	109.6	D100	D100-I102 PolarHBondContact O-N 3.12Å
103	E	43.1	Very low	67.5	Low	153 Å²	153	94 Å²	94	72%	0.715	50%	0.498	S	S	*	.			trans	-35.8	132.7	-174.4	-63.5	170.6	160.9	0	0	114.9	H105 N106	E103-H105 PolarHBondContact O-N 3.25Å; E103-N106 PolarHBondContact O-N 3.23Å
104	A	50.3	Low	68.1	Low	57 Å²	57	92 Å²	92	47%	0.471	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-53	-5.8	-179.4	0	0	0	0	0	116.3	H93	H93-A104 WeakPolarHBondContact NE2-CB 3.48Å
105	H	56.1	Low	68.9	Low	142 Å²	142	89 Å²	89	66%	0.657	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-84.5	-13	-173.5	-61.6	32.9	0	0	0	112.3	P64 E103	P64-H105 WeakPolarHBondContact CG-O 3.35Å; E103-H105 PolarHBondContact O-N 3.25Å
106	N	75.5	Confident	70.3	Confident	114 Å²	114	90.6 Å²	90.6	61%	0.61	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-122.7	34.7	-178	-73.8	-30.8	0	0	0	113.1	E103 L108	E103-N106 PolarHBondContact O-N 3.23Å; N106-L108 PolarHBondContact O-N 3.01Å
107	L	85.1	Confident	72	Confident	18 Å²	18	87.1 Å²	87.1	9%	0.094	46%	0.459	C	S	.	.			trans	-59.7	116.3	176.3	-178.8	61.9	0	0	0	110.8	V63 H93 L96 L109	V63-L107 HydrophobicContact CB-CB 4.17Å; V63-L107 HydrophobicContact CB-CD2 4.12Å; V63-L107 HydrophobicContact CB-CG 4.19Å; V63-L107 HydrophobicContact CG1-CD2 4.27Å; V63-L107 HydrophobicContact CG2-CB 4.26Å; V63-L107 HydrophobicContact CG2-CD2 3.78Å; V63-L107 HydrophobicContact CG2-CG 3.77Å; V63-L107 PolarHBondContact N-O 2.78Å; H93-L107 HydrophobicContact CB-CD1 4.46Å; H93-L107 HydrophobicContact CB-CD2 3.91Å; L96-L107 HydrophobicContact CD1-CD1 3.35Å; L107-L109 HydrophobicContact CD1-CD2 3.87Å; L107-L109 HydrophobicContact CD2-CD2 4.41Å; L107-L109 HydrophobicContact CG-CD2 4.06Å; L107-L109 HydrophobicContact CG-CG 4.37Å
108	L	91.1	Very high	73.7	Confident	72 Å²	72	83.7 Å²	83.7	38%	0.377	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	176	-70.2	174.8	0	0	0	108.5	L60 V61 N106	L60-L108 HydrophobicContact CB-CB 4.04Å; L60-L108 HydrophobicContact CB-CD2 4.29Å; L60-L108 HydrophobicContact CD1-CB 3.96Å; L60-L108 HydrophobicContact CD1-CD1 4.03Å; V61-L108 WeakPolarHBondContact O-CA 3.48Å; N106-L108 PolarHBondContact O-N 3.01Å
109	L	92.7	Very high	75.9	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.01	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.3	179.8	-60.4	-178.2	0	0	0	110.6	L60 V61 V63 L89 A92 L96 L107 T113 F114	L60-L109 CarbonylContact C-O 3.47Å; L60-L109 VanDerWaalsContact CA-O 3.31Å; L60-L109 WeakPolarHBondContact CA-O 3.32Å; V61-L109 PolarHBondContact N-O 3.21Å; V61-L109 PolarHBondContact O-N 3.18Å; V63-L109 HydrophobicContact CG2-CD1 3.55Å; V63-L109 HydrophobicContact CG2-CG 3.67Å; L89-L109 HydrophobicContact CD2-CD1 3.5Å; A92-L109 HydrophobicContact CB-CD2 4.04Å; L96-L109 HydrophobicContact CD1-CD2 4.16Å; L107-L109 HydrophobicContact CD1-CD2 3.87Å; L107-L109 HydrophobicContact CD2-CD2 4.41Å; L107-L109 HydrophobicContact CG-CD2 4.06Å; L107-L109 HydrophobicContact CG-CG 4.37Å; L109-T113 HydrophobicContact CD1-CG2 4.47Å; L109-T113 HydrophobicContact CD2-CG2 3.89Å; L109-F114 HydrophobicContact CB-CB 4.07Å; L109-F114 HydrophobicContact CD1-CD2 4.44Å
110	D	93.8	Very high	78.1	Confident	68 Å²	68	76 Å²	76	36%	0.364	41%	0.406	S	S	.	.			trans	-67.5	171.5	167.6	66.9	74.8	0	0	0	111.6	L60 E112 T113 F114	L60-D110 HydrophobicContact CD2-CB 4.02Å; D110-E112 PolarHBondContact O-N 3.48Å; D110-E112 WeakPolarHBondContact OD1-CA 3.13Å; D110-E112 WeakPolarHBondContact OD1-CB 3.47Å; D110-E112 PolarHBondContact OD1-N 3.34Å; D110-T113 PolarHBondContact OD1-N 3.41Å; D110-T113 PolarHBondContact OD1-OG1 3.31Å; D110-T113 WeakPolarHBondContact OD2-CB 3.23Å; D110-T113 PolarHBondContact OD2-OG1 3.47Å; D110-F114 WeakPolarHBondContact O-CB 3.33Å; D110-F114 PolarHBondContact O-N 2.95Å
111	K	92.7	Very high	80.7	Confident	75 Å²	75	71 Å²	71	33%	0.326	38%	0.38	S	S	.	.	H	α-helix	trans	-56.5	-48.1	-178.1	-174.7	175.5	175.3	-175.5	0	113	E48 F51 I115	E48-K111 WeakPolarHBondContact OE1-CE 3Å; E48-K111 IonicContact OE1-NZ 2.83Å; E48-K111 PolarHBondContact OE1-NZ 2.88Å; F51-K111 HydrophobicContact CD1-CB 4.21Å; F51-K111 HydrophobicContact CD1-CD 3.97Å; F51-K111 HydrophobicContact CD1-CG 3.74Å; F51-K111 HydrophobicContact CD2-CB 4.14Å; F51-K111 HydrophobicContact CD2-CG 4.17Å; F51-K111 HydrophobicContact CE1-CB 3.76Å; F51-K111 HydrophobicContact CE1-CD 3.9Å; F51-K111 HydrophobicContact CE1-CG 3.75Å; F51-K111 HydrophobicContact CE2-CB 3.71Å; F51-K111 HydrophobicContact CE2-CG 4.2Å; F51-K111 HydrophobicContact CG-CB 4.38Å; F51-K111 HydrophobicContact CG-CG 3.95Å; F51-K111 HydrophobicContact CZ-CB 3.49Å; F51-K111 VanDerWaalsContact CZ-CB 3.49Å; F51-K111 HydrophobicContact CZ-CG 3.99Å; K111-I115 HydrophobicContact CD-CD1 4.4Å; K111-I115 HydrophobicContact CG-CD1 3.74Å; K111-I115 HydrophobicContact CG-CG1 4.43Å; K111-I115 WeakPolarHBondContact O-CB 3.43Å; K111-I115 VanDerWaalsContact O-CG1 3.23Å; K111-I115 WeakPolarHBondContact O-CG1 3.48Å; K111-I115 PolarHBondContact O-N 2.98Å
112	E	94.4	Very high	83.1	Confident	162 Å²	162	66.6 Å²	66.6	76%	0.757	34%	0.342	S	S	*	.	H	α-helix	trans	-67.5	-47.4	-174.5	-173.8	179.5	169.6	0	0	110.5	D110 I115 K116	D110-E112 PolarHBondContact O-N 3.48Å; D110-E112 WeakPolarHBondContact OD1-CA 3.13Å; D110-E112 WeakPolarHBondContact OD1-CB 3.47Å; D110-E112 PolarHBondContact OD1-N 3.34Å; E112-I115 PolarHBondContact O-N 3.36Å; E112-K116 WeakPolarHBondContact O-CB 3.45Å; E112-K116 PolarHBondContact O-N 3.28Å
113	T	93.8	Very high	85.6	Confident	43 Å²	43	65.6 Å²	65.6	26%	0.264	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-43	178.7	-55	0	0	0	0	111.5	A92 L109 D110 C117	A92-T113 HydrophobicContact CB-CG2 3.83Å; L109-T113 HydrophobicContact CD1-CG2 4.47Å; L109-T113 HydrophobicContact CD2-CG2 3.89Å; D110-T113 PolarHBondContact OD1-N 3.41Å; D110-T113 PolarHBondContact OD1-OG1 3.31Å; D110-T113 WeakPolarHBondContact OD2-CB 3.23Å; D110-T113 PolarHBondContact OD2-OG1 3.47Å; T113-C117 PolarHBondContact O-N 2.92Å; T113-C117 VanDerWaalsContact O-N 3.13Å; T113-C117 PolarHBondContact O-SG 3.44Å
114	F	94.8	Very high	88	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-48.3	178.2	179.8	-102.4	0	0	0	112.2	V50 F51 V61 F66 L109 D110 K116 C117 I118	V50-F114 HydrophobicContact CB-CE1 4.43Å; V50-F114 HydrophobicContact CG1-CE1 3.9Å; V50-F114 HydrophobicContact CG1-CZ 3.89Å; F51-F114 HydrophobicContact CB-CD1 3.89Å; F51-F114 HydrophobicContact CB-CE1 4.14Å; F51-F114 HydrophobicContact CD2-CB 4.21Å; F51-F114 AromaticContact CD2-CD1 3.78Å; F51-F114 HydrophobicContact CD2-CD1 3.78Å; F51-F114 HydrophobicContact CD2-CG 4.26Å; F51-F114 HydrophobicContact CG-CD1 4.34Å; V61-F114 HydrophobicContact CB-CD2 3.86Å; V61-F114 HydrophobicContact CB-CE2 4.22Å; V61-F114 HydrophobicContact CB-CG 4.12Å; V61-F114 HydrophobicContact CG1-CD2 3.67Å; V61-F114 HydrophobicContact CG1-CE2 3.55Å; V61-F114 HydrophobicContact CG1-CG 4.36Å; V61-F114 HydrophobicContact CG1-CZ 4.12Å; V61-F114 HydrophobicContact CG2-CB 4.45Å; V61-F114 HydrophobicContact CG2-CD1 4.04Å; V61-F114 HydrophobicContact CG2-CD2 4.09Å; V61-F114 HydrophobicContact CG2-CE1 4.29Å; V61-F114 HydrophobicContact CG2-CE2 4.36Å; V61-F114 HydrophobicContact CG2-CG 3.91Å; V61-F114 HydrophobicContact CG2-CZ 4.44Å; F66-F114 HydrophobicContact CD1-CE2 4.08Å; F66-F114 HydrophobicContact CD2-CE2 4.26Å; F66-F114 HydrophobicContact CD2-CZ 4.04Å; F66-F114 HydrophobicContact CE1-CE2 4.21Å; F66-F114 HydrophobicContact CE1-CZ 4.49Å; F66-F114 HydrophobicContact CE2-CE2 4.39Å; F66-F114 AromaticContact CE2-CZ 3.95Å; F66-F114 HydrophobicContact CE2-CZ 3.95Å; F66-F114 HydrophobicContact CG-CE2 4.1Å; F66-F114 HydrophobicContact CG-CZ 4.35Å; F66-F114 HydrophobicContact CZ-CE2 4.37Å; F66-F114 HydrophobicContact CZ-CZ 4.18Å; L109-F114 HydrophobicContact CB-CB 4.07Å; L109-F114 HydrophobicContact CD1-CD2 4.44Å; D110-F114 WeakPolarHBondContact O-CB 3.33Å; D110-F114 PolarHBondContact O-N 2.95Å; F114-K116 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 3.19Å; F114-C117 WeakPolarHBondContact O-CB 3.49Å; F114-C117 PolarHBondContact O-N 3.3Å; F114-I118 HydrophobicContact CD1-CD1 4.25Å; F114-I118 HydrophobicContact CD2-CG2 4.45Å; F114-I118 HydrophobicContact CE1-CD1 3.66Å; F114-I118 HydrophobicContact CE1-CG1 4.33Å; F114-I118 HydrophobicContact CE1-CG2 4.16Å; F114-I118 HydrophobicContact CE2-CG2 3.89Å; F114-I118 HydrophobicContact CZ-CD1 4.2Å; F114-I118 HydrophobicContact CZ-CG2 3.74Å; F114-I118 PolarHBondContact O-N 3.44Å; F114-I118 VanDerWaalsContact O-N 3.13Å
115	I	94.5	Very high	90	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.185	29%	0.286	C	S	.	.	H	α-helix	trans	-56.2	-49.7	177.8	-74.3	176.6	0	0	0	109.7	E47 E48 K111 E112 C117 I118 S119	E47-I115 HydrophobicContact CB-CB 4.32Å; E47-I115 HydrophobicContact CB-CD1 4.49Å; E47-I115 HydrophobicContact CB-CG1 3.96Å; E47-I115 HydrophobicContact CB-CG2 3.83Å; E47-I115 HydrophobicContact CG-CG2 4.16Å; E48-I115 HydrophobicContact CG-CD1 3.86Å; K111-I115 HydrophobicContact CD-CD1 4.4Å; K111-I115 HydrophobicContact CG-CD1 3.74Å; K111-I115 HydrophobicContact CG-CG1 4.43Å; K111-I115 WeakPolarHBondContact O-CB 3.43Å; K111-I115 VanDerWaalsContact O-CG1 3.23Å; K111-I115 WeakPolarHBondContact O-CG1 3.48Å; K111-I115 PolarHBondContact O-N 2.98Å; E112-I115 PolarHBondContact O-N 3.36Å; I115-C117 PolarHBondContact O-N 2.74Å; I115-C117 VanDerWaalsContact O-N 3.16Å; I115-I118 WeakPolarHBondContact O-CG1 3.45Å; I115-I118 PolarHBondContact O-N 3.24Å; I115-I118 VanDerWaalsContact O-N 3.08Å; I115-S119 PolarHBondContact O-N 3.48Å; I115-S119 PolarHBondContact O-OG 3.15Å
116	K	94.7	Very high	91.5	Very high	146 Å²	146	50 Å²	50	64%	0.635	26%	0.255	S	S	*	.	H	α-helix	trans	-54.3	-37.6	177	-179	177.1	178.2	179.9	0	113	K88 E112 F114	K88-K116 WeakPolarHBondContact CD-O 3.31Å; K88-K116 PolarHBondContact NZ-O 2.89Å; E112-K116 WeakPolarHBondContact O-CB 3.45Å; E112-K116 PolarHBondContact O-N 3.28Å; F114-K116 VanDerWaalsContact C-N 3.32Å; F114-K116 PolarHBondContact O-N 3.19Å
117	C	94.1	Very high	92.1	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-41	178.9	-68.7	0	0	0	0	112.6	L85 K88 L89 T113 F114 I115	L85-C117 HydrophobicContact CD1-CB 4.26Å; K88-C117 HydrophobicContact CB-CB 4.18Å; L89-C117 HydrophobicContact CD2-CB 3.99Å; L89-C117 HydrophobicContact CG-CB 4.34Å; T113-C117 PolarHBondContact O-N 2.92Å; T113-C117 VanDerWaalsContact O-N 3.13Å; T113-C117 PolarHBondContact O-SG 3.44Å; F114-C117 WeakPolarHBondContact O-CB 3.49Å; F114-C117 PolarHBondContact O-N 3.3Å; I115-C117 PolarHBondContact O-N 2.74Å; I115-C117 VanDerWaalsContact O-N 3.16Å
118	I	93.7	Very high	92.4	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-89.4	-17.8	-174	64.9	164.9	0	0	0	114.2	E47 V50 F66 L85 F114 I115 D120 D121 V122 I125	E47-I118 HydrophobicContact CB-CD1 3.91Å; E47-I118 HydrophobicContact CB-CG1 4.28Å; E47-I118 HydrophobicContact CG-CD1 4.3Å; E47-I118 HydrophobicContact CG-CG1 4.29Å; V50-I118 HydrophobicContact CB-CD1 3.84Å; V50-I118 HydrophobicContact CG1-CD1 4Å; V50-I118 HydrophobicContact CG2-CD1 4.35Å; F66-I118 HydrophobicContact CE1-CG2 4.17Å; F66-I118 HydrophobicContact CZ-CG2 3.91Å; L85-I118 HydrophobicContact CD1-CG2 3.82Å; F114-I118 HydrophobicContact CD1-CD1 4.25Å; F114-I118 HydrophobicContact CD2-CG2 4.45Å; F114-I118 HydrophobicContact CE1-CD1 3.66Å; F114-I118 HydrophobicContact CE1-CG1 4.33Å; F114-I118 HydrophobicContact CE1-CG2 4.16Å; F114-I118 HydrophobicContact CE2-CG2 3.89Å; F114-I118 HydrophobicContact CZ-CD1 4.2Å; F114-I118 HydrophobicContact CZ-CG2 3.74Å; F114-I118 PolarHBondContact O-N 3.44Å; F114-I118 VanDerWaalsContact O-N 3.13Å; I115-I118 WeakPolarHBondContact O-CG1 3.45Å; I115-I118 PolarHBondContact O-N 3.24Å; I115-I118 VanDerWaalsContact O-N 3.08Å; I118-D120 VanDerWaalsContact C-N 3.32Å; I118-D120 PolarHBondContact O-N 3.23Å; I118-D120 VanDerWaalsContact O-N 3.16Å; I118-D121 CarbonylContact O-C 3.55Å; I118-D121 PolarHBondContact O-N 2.82Å; I118-V122 WeakPolarHBondContact O-CA 3.37Å; I118-V122 PolarHBondContact O-N 2.91Å; I118-I125 HydrophobicContact CB-CD1 3.78Å; I118-I125 HydrophobicContact CG2-CD1 3.95Å
119	S	92.7	Very high	92.2	Very high	44 Å²	44	44.8 Å²	44.8	31%	0.308	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-52.3	-42	-169.4	-64.1	0	0	0	0	115.1	I115 D121 V122	I115-S119 PolarHBondContact O-N 3.48Å; I115-S119 PolarHBondContact O-OG 3.15Å; S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 PolarHBondContact O-N 2.72Å; S119-V122 WeakPolarHBondContact O-CG1 3.45Å
120	D	92.4	Very high	91.8	Very high	100 Å²	100	46 Å²	46	54%	0.535	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-70.6	-27.3	-175	-60.5	2.5	0	0	0	112	S84 K88 I118	S84-D120 PolarHBondContact OG-OD2 3.22Å; K88-D120 WeakPolarHBondContact CE-OD2 3.24Å; K88-D120 IonicContact NZ-OD1 3.48Å; K88-D120 PolarHBondContact NZ-OD1 3.25Å; K88-D120 IonicContact NZ-OD2 3.23Å; K88-D120 PolarHBondContact NZ-OD2 3.33Å; I118-D120 VanDerWaalsContact C-N 3.32Å; I118-D120 PolarHBondContact O-N 3.23Å; I118-D120 VanDerWaalsContact O-N 3.16Å
121	D	91.3	Very high	91.3	Very high	24 Å²	24	44 Å²	44	13%	0.128	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-117.2	12	-171.1	-49.9	-45.7	0	0	0	111.7	S84 L85 I118 S119 L123 L124 I125	S84-D121 WeakPolarHBondContact CB-OD2 3.43Å; L85-D121 WeakPolarHBondContact CB-OD2 3.47Å; L85-D121 PolarHBondContact N-OD2 2.86Å; I118-D121 CarbonylContact O-C 3.55Å; I118-D121 PolarHBondContact O-N 2.82Å; S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 PolarHBondContact O-N 2.72Å; D121-L123 VanDerWaalsContact C-N 3.27Å; D121-L123 PolarHBondContact O-N 3.05Å; D121-L124 PolarHBondContact O-N 3.44Å; D121-I125 HydrophobicContact CB-CD1 4.06Å; D121-I125 WeakPolarHBondContact O-CG1 3.42Å; D121-I125 PolarHBondContact O-N 3.41Å
122	V	90.8	Very high	91.1	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-34.9	-168.9	67.8	0	0	0	0	113	L46 E47 I118 S119 I125 L126	L46-V122 HydrophobicContact CB-CG2 3.96Å; E47-V122 HydrophobicContact CG-CB 4.34Å; E47-V122 HydrophobicContact CG-CG2 3.94Å; I118-V122 WeakPolarHBondContact O-CA 3.37Å; I118-V122 PolarHBondContact O-N 2.91Å; S119-V122 WeakPolarHBondContact O-CG1 3.45Å; V122-I125 PolarHBondContact O-N 3.49Å; V122-L126 HydrophobicContact CG2-CD1 4.18Å; V122-L126 HydrophobicContact CG2-CG 4.43Å; V122-L126 WeakPolarHBondContact O-CB 3.4Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.01Å
123	L	90.5	Very high	91	Very high	108 Å²	108	36.7 Å²	36.7	57%	0.565	19%	0.186	S	C	*	.	H	α-helix	trans	-65.7	-48.1	179.4	-66.2	178.1	0	0	0	111.5	L46 D121 I125 L126 Q127	L46-L123 HydrophobicContact CD1-CD2 3.97Å; D121-L123 VanDerWaalsContact C-N 3.27Å; D121-L123 PolarHBondContact O-N 3.05Å; L123-I125 VanDerWaalsContact C-N 3.35Å; L123-L126 PolarHBondContact O-N 3.13Å; L123-Q127 VanDerWaalsContact O-CG 3.32Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 2.88Å
124	L	93.6	Very high	91.1	Very high	20 Å²	20	36 Å²	36	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-43.5	177	176.8	63.7	0	0	0	111.1	L75 R81 L82 D121 L126 Q127 A128 F133	L75-L124 HydrophobicContact CD1-CG 4.3Å; L75-L124 HydrophobicContact CD2-CD1 4.48Å; R81-L124 HydrophobicContact CB-CD2 3.51Å; L82-L124 HydrophobicContact CD2-CD2 3.92Å; L82-L124 HydrophobicContact CG-CD2 4.44Å; D121-L124 PolarHBondContact O-N 3.44Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 3.38Å; L124-Q127 PolarHBondContact O-N 3.15Å; L124-A128 WeakPolarHBondContact O-CB 3.36Å; L124-A128 PolarHBondContact O-N 3.01Å; L124-F133 HydrophobicContact CD1-CE1 3.92Å; L124-F133 HydrophobicContact CD1-CZ 3.74Å
125	I	91.7	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.9	-70.8	163.8	0	0	0	110.5	V50 F66 L70 L85 I118 D121 V122 L123 A128 L129	V50-I125 HydrophobicContact CG1-CG2 4.36Å; V50-I125 HydrophobicContact CG2-CG2 4.45Å; F66-I125 HydrophobicContact CE2-CG2 4.04Å; F66-I125 HydrophobicContact CZ-CD1 4.22Å; F66-I125 HydrophobicContact CZ-CG1 4.47Å; F66-I125 HydrophobicContact CZ-CG2 3.93Å; L70-I125 HydrophobicContact CD1-CG1 4.42Å; L70-I125 HydrophobicContact CD2-CG1 4.42Å; L70-I125 HydrophobicContact CD2-CG2 4.25Å; L85-I125 HydrophobicContact CD2-CD1 4.12Å; I118-I125 HydrophobicContact CB-CD1 3.78Å; I118-I125 HydrophobicContact CG2-CD1 3.95Å; D121-I125 HydrophobicContact CB-CD1 4.06Å; D121-I125 WeakPolarHBondContact O-CG1 3.42Å; D121-I125 PolarHBondContact O-N 3.41Å; V122-I125 PolarHBondContact O-N 3.49Å; L123-I125 VanDerWaalsContact C-N 3.35Å; I125-A128 PolarHBondContact O-N 3.39Å; I125-L129 HydrophobicContact CG2-CD1 3.71Å; I125-L129 HydrophobicContact CG2-CG 4.46Å; I125-L129 WeakPolarHBondContact O-CB 3.26Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 2.86Å
126	L	87.8	Confident	91	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-43	179	-81.8	176.1	0	0	0	112.8	L46 V50 V122 L123 L124 A128 L129 R130 L476	L46-L126 HydrophobicContact CB-CD1 3.65Å; L46-L126 HydrophobicContact CD1-CD1 3.94Å; L46-L126 HydrophobicContact CD2-CD1 3.68Å; L46-L126 HydrophobicContact CG-CD1 3.94Å; V50-L126 HydrophobicContact CG2-CD2 3.49Å; V50-L126 VanDerWaalsContact CG2-CD2 3.49Å; V50-L126 HydrophobicContact CG2-CG 3.95Å; V122-L126 HydrophobicContact CG2-CD1 4.18Å; V122-L126 HydrophobicContact CG2-CG 4.43Å; V122-L126 WeakPolarHBondContact O-CB 3.4Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.01Å; L123-L126 PolarHBondContact O-N 3.13Å; L124-L126 VanDerWaalsContact C-N 3.31Å; L124-L126 PolarHBondContact O-N 3.38Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.13Å; L126-L129 PolarHBondContact O-N 3.28Å; L126-R130 VanDerWaalsContact O-CB 3.23Å; L126-R130 WeakPolarHBondContact O-CB 3.24Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 2.94Å; L126-R130 PolarHBondContact O-N 2.95Å; L126-L476 HydrophobicContact CD2-CD2 3.72Å
127	Q	88.4	Confident	90.9	Very high	83 Å²	83	31.4 Å²	31.4	39%	0.388	17%	0.165	S	C	.	.	H	α-helix	trans	-57.3	-44.9	175.8	-75.2	175.2	-39.5	0	0	110.9	L123 L124 N131 E132 F133	L123-Q127 VanDerWaalsContact O-CG 3.32Å; L123-Q127 WeakPolarHBondContact O-CG 3.35Å; L123-Q127 PolarHBondContact O-N 2.88Å; L124-Q127 PolarHBondContact O-N 3.15Å; Q127-N131 PolarHBondContact O-N 3.33Å; Q127-E132 HydrophobicContact CB-CB 4.4Å; Q127-E132 PolarHBondContact O-N 3.4Å; Q127-F133 HydrophobicContact CB-CD1 4.26Å; Q127-F133 HydrophobicContact CB-CE1 3.83Å
128	A	90.2	Very high	90.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.2	-56.1	175.3	0	0	0	0	0	111.7	L70 T73 L75 L124 I125 L126 R130 N131 F133	L70-A128 HydrophobicContact CD2-CB 4.18Å; T73-A128 HydrophobicContact CG2-CB 4.09Å; T73-A128 WeakPolarHBondContact CG2-O 2.89Å; L75-A128 HydrophobicContact CD1-CB 3.86Å; L124-A128 WeakPolarHBondContact O-CB 3.36Å; L124-A128 PolarHBondContact O-N 3.01Å; I125-A128 PolarHBondContact O-N 3.39Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.13Å; A128-R130 VanDerWaalsContact C-N 3.26Å; A128-R130 PolarHBondContact O-N 3.46Å; A128-N131 PolarHBondContact O-N 3.45Å; A128-N131 VanDerWaalsContact O-N 3.09Å; A128-F133 HydrophobicContact CB-CD2 4.44Å; A128-F133 HydrophobicContact CB-CE1 4.45Å; A128-F133 HydrophobicContact CB-CE2 3.52Å; A128-F133 HydrophobicContact CB-CZ 3.54Å
129	L	87.6	Confident	90.9	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.068	19%	0.193	C	C	.	.	H	α-helix	trans	-69.4	-22.4	-174	-66.6	172.7	0	0	0	113.6	V50 F54 F66 A69 L70 I125 L126 N131 L476	V50-L129 HydrophobicContact CG1-CD1 4.24Å; F54-L129 HydrophobicContact CE2-CD1 3.69Å; F54-L129 HydrophobicContact CE2-CD2 4.15Å; F54-L129 HydrophobicContact CZ-CD1 4.21Å; F54-L129 HydrophobicContact CZ-CD2 3.84Å; F66-L129 HydrophobicContact CE2-CD1 4.29Å; A69-L129 HydrophobicContact CB-CD2 4.05Å; L70-L129 HydrophobicContact CD2-CD2 4.2Å; L70-L129 HydrophobicContact CD2-CG 4.13Å; I125-L129 HydrophobicContact CG2-CD1 3.71Å; I125-L129 HydrophobicContact CG2-CG 4.46Å; I125-L129 WeakPolarHBondContact O-CB 3.26Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 2.86Å; L126-L129 PolarHBondContact O-N 3.28Å; L129-N131 VanDerWaalsContact C-N 3.32Å; L129-L476 HydrophobicContact CB-CD1 3.64Å; L129-L476 WeakPolarHBondContact O-CD1 3.5Å
130	R	83.7	Confident	91	Very high	26 Å²	26	40.1 Å²	40.1	10%	0.098	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-5.4	174.1	-75.5	-177.8	175.6	147.2	2.9	114	L126 A128 E132 L476 H477	L126-R130 VanDerWaalsContact O-CB 3.23Å; L126-R130 WeakPolarHBondContact O-CB 3.24Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 2.94Å; L126-R130 PolarHBondContact O-N 2.95Å; A128-R130 VanDerWaalsContact C-N 3.26Å; A128-R130 PolarHBondContact O-N 3.46Å; R130-E132 VanDerWaalsContact C-N 3.27Å; R130-E132 HydrophobicContact CB-CG 3.74Å; R130-E132 WeakPolarHBondContact CD-OE1 3.12Å; R130-L476 HydrophobicContact CG-CB 3.75Å; R130-L476 HydrophobicContact CG-CD1 4.26Å; R130-L476 HydrophobicContact CG-CG 4.5Å; R130-L476 VanDerWaalsContact CZ-O 3.3Å; R130-L476 PolarHBondContact NE-O 2.85Å; R130-L476 PolarHBondContact NH2-O 3.03Å; R130-H477 PolarHBondContact O-NE2 3.09Å; R130-H477 VanDerWaalsContact O-NE2 3.17Å
131	N	85.1	Confident	91.2	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	38.1	-168.4	-61.5	15.6	0	0	0	112.6	Q127 A128 L129 F133 P136 R473	Q127-N131 PolarHBondContact O-N 3.33Å; A128-N131 PolarHBondContact O-N 3.45Å; A128-N131 VanDerWaalsContact O-N 3.09Å; L129-N131 VanDerWaalsContact C-N 3.32Å; N131-F133 VanDerWaalsContact C-N 3.29Å; N131-P136 HydrophobicContact CB-CB 3.93Å; N131-P136 PolarHBondContact ND2-O 3.41Å; N131-P136 VanDerWaalsContact ND2-O 3.13Å; N131-P136 WeakPolarHBondContact O-CB 3.06Å; N131-R473 PolarHBondContact ND2-NE 3.11Å; N131-R473 VanDerWaalsContact ND2-NE 3.13Å; N131-R473 PolarHBondContact ND2-NH2 3.06Å; N131-R473 VanDerWaalsContact ND2-NH2 3.19Å; N131-R473 PolarHBondContact OD1-NE 2.99Å
132	E	86.9	Confident	91.5	Very high	78 Å²	78	35.3 Å²	35.3	36%	0.364	18%	0.178	S	C	.	.			trans	-84.8	-4.1	177.1	-72.4	174.3	-179.5	0	0	112.8	Q127 R130 H477	Q127-E132 HydrophobicContact CB-CB 4.4Å; Q127-E132 PolarHBondContact O-N 3.4Å; R130-E132 VanDerWaalsContact C-N 3.27Å; R130-E132 HydrophobicContact CB-CG 3.74Å; R130-E132 WeakPolarHBondContact CD-OE1 3.12Å; E132-H477 IonicContact OE1-CE1 2.78Å
133	F	93.8	Very high	91.9	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.026	20%	0.196	C	C	.	.	S	Bend	trans	-65	155.8	171.1	-65	-24.5	0	0	0	112	L75 L124 Q127 A128 N131 I135 P136 D183 Q185	L75-F133 HydrophobicContact CD1-CE2 4.2Å; L75-F133 HydrophobicContact CD1-CZ 4.12Å; L75-F133 HydrophobicContact CD2-CE2 4.04Å; L75-F133 HydrophobicContact CD2-CZ 4.03Å; L75-F133 HydrophobicContact CG-CE2 3.94Å; L75-F133 HydrophobicContact CG-CZ 4.2Å; L124-F133 HydrophobicContact CD1-CE1 3.92Å; L124-F133 HydrophobicContact CD1-CZ 3.74Å; Q127-F133 HydrophobicContact CB-CD1 4.26Å; Q127-F133 HydrophobicContact CB-CE1 3.83Å; A128-F133 HydrophobicContact CB-CD2 4.44Å; A128-F133 HydrophobicContact CB-CE1 4.45Å; A128-F133 HydrophobicContact CB-CE2 3.52Å; A128-F133 HydrophobicContact CB-CZ 3.54Å; N131-F133 VanDerWaalsContact C-N 3.29Å; F133-I135 CarbonylContact O-C 2.91Å; F133-I135 PolarHBondContact O-N 3.14Å; F133-P136 WeakPolarHBondContact O-CD 3.44Å; F133-D183 WeakPolarHBondContact CA-OD2 3.31Å; F133-D183 HydrophobicContact CB-CB 4.06Å; F133-D183 HydrophobicContact CD1-CB 3.55Å; F133-D183 HydrophobicContact CE1-CB 4.08Å; F133-D183 HydrophobicContact CG-CB 3.84Å; F133-Q185 HydrophobicContact CB-CG 4.34Å; F133-Q185 HydrophobicContact CD2-CG 3.59Å; F133-Q185 HydrophobicContact CE2-CG 4.16Å; F133-Q185 HydrophobicContact CG-CG 4.21Å
134	V	95.7	Very high	92.2	Very high	28 Å²	28	34.5 Å²	34.5	17%	0.17	18%	0.176	C	C	.	.	S	Bend	trans	-55.3	-26.7	-178.5	69	0	0	0	0	112.9	T181 V182 D183 V396 R445	V134-T181 HydrophobicContact CG1-CG2 4.19Å; V134-V182 HydrophobicContact CB-CG2 4.11Å; V134-V182 HydrophobicContact CG1-CG2 3.9Å; V134-V182 HydrophobicContact CG2-CG2 4.27Å; V134-D183 VanDerWaalsContact CB-OD2 3.29Å; V134-D183 WeakPolarHBondContact CB-OD2 3.42Å; V134-D183 WeakPolarHBondContact CG1-OD2 3.37Å; V134-D183 PolarHBondContact N-OD2 3.49Å; V134-V396 HydrophobicContact CG2-CB 4.48Å; V134-V396 HydrophobicContact CG2-CG1 4.16Å; V134-R445 HydrophobicContact CG2-CG 4.38Å; V134-R445 WeakPolarHBondContact O-CA 3.32Å
135	I	96.2	Very high	92.4	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.	S	Bend	trans	-116	94.6	165.9	-53.2	-60.5	0	0	0	108.8	F133 W138 F141 T181 Q185 V396 M397 P444 R445	F133-I135 CarbonylContact O-C 2.91Å; F133-I135 PolarHBondContact O-N 3.14Å; I135-W138 HydrophobicContact CB-CE3 3.91Å; I135-W138 HydrophobicContact CB-CZ3 4.25Å; I135-W138 HydrophobicContact CG1-CE3 4.47Å; I135-W138 HydrophobicContact CG1-CZ3 4.3Å; I135-W138 HydrophobicContact CG2-CE3 3.85Å; I135-W138 HydrophobicContact CG2-CZ3 4.37Å; I135-F141 HydrophobicContact CG2-CB 3.58Å; I135-F141 HydrophobicContact CG2-CD1 4.16Å; I135-F141 HydrophobicContact CG2-CD2 4.36Å; I135-F141 HydrophobicContact CG2-CG 3.77Å; I135-T181 HydrophobicContact CG1-CG2 3.91Å; I135-Q185 PolarHBondContact O-NE2 3.08Å; I135-V396 HydrophobicContact CD1-CG1 4.16Å; I135-M397 HydrophobicContact CD1-CE 3.43Å; I135-M397 VanDerWaalsContact CD1-CE 3.43Å; I135-M397 HydrophobicContact CG1-CE 3.6Å; I135-P444 HydrophobicContact CD1-CB 3.92Å; I135-P444 HydrophobicContact CD1-CG 3.91Å; I135-R445 HydrophobicContact CD1-CG 4.34Å
136	P	91.2	Very high	92.8	Very high	10 Å²	10	36.9 Å²	36.9	7%	0.065	19%	0.186	C	C	.	.	S	Bend	trans	-62.6	-44.3	-176.6	-28.1	37.4	0	0	0	113.6	N131 F133 W138 P444 Q447	N131-P136 HydrophobicContact CB-CB 3.93Å; N131-P136 PolarHBondContact ND2-O 3.41Å; N131-P136 VanDerWaalsContact ND2-O 3.13Å; N131-P136 WeakPolarHBondContact O-CB 3.06Å; F133-P136 WeakPolarHBondContact O-CD 3.44Å; P136-W138 PolarHBondContact O-N 2.9Å; P136-P444 WeakPolarHBondContact CD-O 3.38Å; P136-Q447 HydrophobicContact CB-CG 4.35Å; P136-Q447 HydrophobicContact CG-CB 4.47Å; P136-Q447 HydrophobicContact CG-CG 3.71Å
137	D	91.1	Very high	93.3	Very high	75 Å²	75	41.1 Å²	41.1	40%	0.401	21%	0.206	S	C	.	.			trans	-100.4	73	179	-170.6	-7.8	0	0	0	110.5	S139 R140 F141	D137-S139 VanDerWaalsContact C-N 3.32Å; D137-S139 PolarHBondContact O-N 2.84Å; D137-R140 HydrophobicContact CB-CB 4.27Å; D137-R140 PolarHBondContact O-N 3.2Å; D137-R140 VanDerWaalsContact OD1-CB 3.3Å; D137-R140 WeakPolarHBondContact OD1-CB 3.39Å; D137-R140 PolarHBondContact OD1-N 3.06Å; D137-R140 VanDerWaalsContact OD1-N 3.14Å; D137-R140 VanDerWaalsContact OD2-CB 3.22Å; D137-R140 WeakPolarHBondContact OD2-CB 3.2Å; D137-F141 WeakPolarHBondContact O-CB 3.2Å; D137-F141 PolarHBondContact O-N 3.29Å
138	W	95.5	Very high	93.8	Very high	14 Å²	14	37.4 Å²	37.4	5%	0.053	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-40	-175.8	-174.4	-112.9	0	0	0	113.3	I135 P136 F141 C142 V179 T181 Q185 R186 A187	I135-W138 HydrophobicContact CB-CE3 3.91Å; I135-W138 HydrophobicContact CB-CZ3 4.25Å; I135-W138 HydrophobicContact CG1-CE3 4.47Å; I135-W138 HydrophobicContact CG1-CZ3 4.3Å; I135-W138 HydrophobicContact CG2-CE3 3.85Å; I135-W138 HydrophobicContact CG2-CZ3 4.37Å; P136-W138 PolarHBondContact O-N 2.9Å; W138-F141 AromaticContact CE3-CD1 3.85Å; W138-F141 HydrophobicContact CE3-CD1 3.85Å; W138-F141 HydrophobicContact CH2-CD1 4.04Å; W138-F141 HydrophobicContact CH2-CE1 4.03Å; W138-F141 AromaticContact CZ3-CD1 3.49Å; W138-F141 HydrophobicContact CZ3-CD1 3.49Å; W138-F141 VanDerWaalsContact CZ3-CD1 3.49Å; W138-F141 AromaticContact CZ3-CE1 3.73Å; W138-F141 HydrophobicContact CZ3-CE1 3.73Å; W138-F141 PolarHBondContact O-N 2.73Å; W138-C142 PolarHBondContact NE1-SG 2.95Å; W138-C142 WeakPolarHBondContact O-CB 3.45Å; W138-C142 PolarHBondContact O-N 3Å; W138-C142 PolarHBondContact O-SG 3Å; W138-V179 HydrophobicContact CH2-CG1 3.81Å; W138-V179 HydrophobicContact CZ2-CG1 4.21Å; W138-T181 HydrophobicContact CE3-CG2 4.37Å; W138-T181 HydrophobicContact CH2-CG2 3.95Å; W138-T181 HydrophobicContact CZ3-CG2 3.46Å; W138-T181 VanDerWaalsContact CZ3-CG2 3.46Å; W138-Q185 HydrophobicContact CD2-CB 3.97Å; W138-Q185 HydrophobicContact CE3-CB 3.86Å; W138-Q185 HydrophobicContact CE3-CG 4.43Å; W138-Q185 HydrophobicContact CH2-CB 3.95Å; W138-Q185 HydrophobicContact CZ2-CB 4.06Å; W138-Q185 HydrophobicContact CZ3-CB 3.85Å; W138-R186 VanDerWaalsContact CZ2-C 3.48Å; W138-A187 HydrophobicContact CZ2-CB 3.7Å
139	S	93.5	Very high	94.2	Very high	78 Å²	78	38.7 Å²	38.7	55%	0.545	19%	0.194	S	C	.	.	H	α-helix	trans	-64.7	-45.8	-178.9	-172	0	0	0	0	111.6	D137 C142 T143	D137-S139 VanDerWaalsContact C-N 3.32Å; D137-S139 PolarHBondContact O-N 2.84Å; S139-C142 PolarHBondContact O-N 2.78Å; S139-T143 PolarHBondContact O-N 3.36Å; S139-T143 PolarHBondContact O-OG1 3Å
140	R	93.8	Very high	94.7	Very high	137 Å²	137	43.7 Å²	43.7	52%	0.517	22%	0.215	S	C	.	.	H	α-helix	trans	-63.9	-46.7	175.8	-176.3	179.1	176.3	-175.7	-1.7	110.9	D137 C142 T143 E144	D137-R140 HydrophobicContact CB-CB 4.27Å; D137-R140 PolarHBondContact O-N 3.2Å; D137-R140 VanDerWaalsContact OD1-CB 3.3Å; D137-R140 WeakPolarHBondContact OD1-CB 3.39Å; D137-R140 PolarHBondContact OD1-N 3.06Å; D137-R140 VanDerWaalsContact OD1-N 3.14Å; D137-R140 VanDerWaalsContact OD2-CB 3.22Å; D137-R140 WeakPolarHBondContact OD2-CB 3.2Å; R140-C142 VanDerWaalsContact C-N 3.3Å; R140-C142 PolarHBondContact O-N 2.74Å; R140-T143 WeakPolarHBondContact O-CB 3.2Å; R140-T143 PolarHBondContact O-N 3.35Å; R140-T143 VanDerWaalsContact O-N 3.09Å; R140-E144 HydrophobicContact CG-CG 4.43Å; R140-E144 VanDerWaalsContact O-CG 3.28Å; R140-E144 WeakPolarHBondContact O-CG 3.43Å; R140-E144 PolarHBondContact O-N 3.47Å
141	F	96.8	Very high	95.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-54.8	-45.9	176.7	175.2	-102.5	0	0	0	112	I135 D137 W138 T143 E144 V145 V179 M397 F399 F426 F428 P444	I135-F141 HydrophobicContact CG2-CB 3.58Å; I135-F141 HydrophobicContact CG2-CD1 4.16Å; I135-F141 HydrophobicContact CG2-CD2 4.36Å; I135-F141 HydrophobicContact CG2-CG 3.77Å; D137-F141 WeakPolarHBondContact O-CB 3.2Å; D137-F141 PolarHBondContact O-N 3.29Å; W138-F141 AromaticContact CE3-CD1 3.85Å; W138-F141 HydrophobicContact CE3-CD1 3.85Å; W138-F141 HydrophobicContact CH2-CD1 4.04Å; W138-F141 HydrophobicContact CH2-CE1 4.03Å; W138-F141 AromaticContact CZ3-CD1 3.49Å; W138-F141 HydrophobicContact CZ3-CD1 3.49Å; W138-F141 VanDerWaalsContact CZ3-CD1 3.49Å; W138-F141 AromaticContact CZ3-CE1 3.73Å; W138-F141 HydrophobicContact CZ3-CE1 3.73Å; W138-F141 PolarHBondContact O-N 2.73Å; F141-T143 VanDerWaalsContact C-N 3.33Å; F141-T143 PolarHBondContact O-N 2.88Å; F141-E144 PolarHBondContact O-N 3.32Å; F141-V145 HydrophobicContact CD1-CG2 4.35Å; F141-V145 HydrophobicContact CD2-CG2 4.33Å; F141-V145 HydrophobicContact CE1-CG2 3.87Å; F141-V145 HydrophobicContact CE2-CG2 3.83Å; F141-V145 HydrophobicContact CZ-CG2 3.57Å; F141-V145 WeakPolarHBondContact O-CG2 3.45Å; F141-V145 PolarHBondContact O-N 2.96Å; F141-V179 HydrophobicContact CE1-CG2 4.4Å; F141-M397 HydrophobicContact CE1-CE 4.03Å; F141-M397 HydrophobicContact CE1-SD 4.07Å; F141-M397 HydrophobicContact CE2-CE 3.92Å; F141-M397 HydrophobicContact CE2-SD 4.33Å; F141-M397 HydrophobicContact CZ-CE 3.49Å; F141-M397 VanDerWaalsContact CZ-CE 3.49Å; F141-M397 HydrophobicContact CZ-SD 3.48Å; F141-M397 WeakPolarHBondContact CZ-SD 3.46Å; F141-F399 HydrophobicContact CZ-CZ 4.12Å; F141-F426 AromaticContact CD2-CE1 3.87Å; F141-F426 HydrophobicContact CD2-CE1 3.87Å; F141-F426 HydrophobicContact CD2-CE2 4.41Å; F141-F426 AromaticContact CD2-CZ 3.69Å; F141-F426 HydrophobicContact CD2-CZ 3.69Å; F141-F426 HydrophobicContact CE2-CE1 4.15Å; F141-F426 HydrophobicContact CE2-CE2 4.05Å; F141-F426 AromaticContact CE2-CZ 3.78Å; F141-F426 HydrophobicContact CE2-CZ 3.78Å; F141-F428 HydrophobicContact CE2-CE2 4.28Å; F141-F428 HydrophobicContact CE2-CZ 4.01Å; F141-P444 HydrophobicContact CD2-CB 3.77Å; F141-P444 HydrophobicContact CD2-CG 4.2Å; F141-P444 HydrophobicContact CE2-CB 4.35Å; F141-P444 HydrophobicContact CE2-CG 4.28Å
142	C	98.2	Very high	96	Very high	19 Å²	19	44.2 Å²	44.2	13%	0.128	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-38.7	177.3	-71	0	0	0	0	112.9	W138 S139 R140 V145 E146 W189	W138-C142 PolarHBondContact NE1-SG 2.95Å; W138-C142 WeakPolarHBondContact O-CB 3.45Å; W138-C142 PolarHBondContact O-N 3Å; W138-C142 PolarHBondContact O-SG 3Å; S139-C142 PolarHBondContact O-N 2.78Å; R140-C142 VanDerWaalsContact C-N 3.3Å; R140-C142 PolarHBondContact O-N 2.74Å; C142-V145 PolarHBondContact O-N 2.81Å; C142-E146 VanDerWaalsContact O-CB 3.32Å; C142-E146 WeakPolarHBondContact O-CB 3.5Å; C142-E146 PolarHBondContact O-N 2.78Å; C142-W189 HydrophobicContact CB-CZ2 4.23Å
143	T	98.1	Very high	96.5	Very high	70 Å²	70	45.2 Å²	45.2	43%	0.429	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-47.6	177.8	-55.8	0	0	0	0	110.7	S139 R140 F141 V145 E146 E147	S139-T143 PolarHBondContact O-N 3.36Å; S139-T143 PolarHBondContact O-OG1 3Å; R140-T143 WeakPolarHBondContact O-CB 3.2Å; R140-T143 PolarHBondContact O-N 3.35Å; R140-T143 VanDerWaalsContact O-N 3.09Å; F141-T143 VanDerWaalsContact C-N 3.33Å; F141-T143 PolarHBondContact O-N 2.88Å; T143-V145 PolarHBondContact O-N 3.21Å; T143-E146 WeakPolarHBondContact O-CB 3.48Å; T143-E146 PolarHBondContact O-N 3.42Å; T143-E147 PolarHBondContact O-N 3Å; T143-E147 VanDerWaalsContact O-N 3.07Å
144	E	97.8	Very high	96.6	Very high	33 Å²	33	49.3 Å²	49.3	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-40.8	178.4	-61.8	-78.9	171.2	0	0	111.9	R140 F141 E147 I148 R425 F426 I442	R140-E144 HydrophobicContact CG-CG 4.43Å; R140-E144 VanDerWaalsContact O-CG 3.28Å; R140-E144 WeakPolarHBondContact O-CG 3.43Å; R140-E144 PolarHBondContact O-N 3.47Å; F141-E144 PolarHBondContact O-N 3.32Å; E144-E147 PolarHBondContact O-N 2.66Å; E144-I148 WeakPolarHBondContact O-CG1 3.02Å; E144-I148 PolarHBondContact O-N 2.97Å; E144-R425 IonicContact OE2-CZ 2.87Å; E144-R425 IonicContact OE2-NH1 2.85Å; E144-R425 PolarHBondContact OE2-NH1 2.87Å; E144-F426 HydrophobicContact CB-CE1 4.33Å; E144-F426 HydrophobicContact CB-CE2 4.31Å; E144-F426 HydrophobicContact CB-CZ 3.55Å; E144-F426 HydrophobicContact CG-CZ 4.3Å; E144-I442 HydrophobicContact CG-CD1 4.43Å
145	V	98.6	Very high	96.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-38.4	175.7	174.5	0	0	0	0	111.7	F141 C142 T143 E147 I148 Y149 W189 F399 F418 L422 F426	F141-V145 HydrophobicContact CD1-CG2 4.35Å; F141-V145 HydrophobicContact CD2-CG2 4.33Å; F141-V145 HydrophobicContact CE1-CG2 3.87Å; F141-V145 HydrophobicContact CE2-CG2 3.83Å; F141-V145 HydrophobicContact CZ-CG2 3.57Å; F141-V145 WeakPolarHBondContact O-CG2 3.45Å; F141-V145 PolarHBondContact O-N 2.96Å; C142-V145 PolarHBondContact O-N 2.81Å; T143-V145 PolarHBondContact O-N 3.21Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.38Å; V145-I148 PolarHBondContact O-N 3.34Å; V145-Y149 PolarHBondContact O-N 3.33Å; V145-W189 HydrophobicContact CB-CH2 3.85Å; V145-W189 HydrophobicContact CB-CZ2 4.08Å; V145-W189 HydrophobicContact CG1-CE3 4.26Å; V145-W189 HydrophobicContact CG1-CH2 3.34Å; V145-W189 HydrophobicContact CG1-CZ2 3.88Å; V145-W189 HydrophobicContact CG1-CZ3 3.55Å; V145-F399 HydrophobicContact CG1-CE1 4.14Å; V145-F399 HydrophobicContact CG2-CZ 4.47Å; V145-F418 HydrophobicContact CG1-CE2 4.29Å; V145-F418 HydrophobicContact CG1-CZ 3.92Å; V145-L422 HydrophobicContact CG2-CD1 4.4Å; V145-F426 HydrophobicContact CG2-CE2 4.07Å; V145-F426 HydrophobicContact CG2-CZ 4.37Å
146	E	98.6	Very high	96.7	Very high	69 Å²	69	55.3 Å²	55.3	32%	0.322	29%	0.29	S	S	.	.	H	α-helix	trans	-63	-37.5	176.7	-173.1	176.3	166.3	0	0	111.9	C142 T143 I148 Y149 K150	C142-E146 VanDerWaalsContact O-CB 3.32Å; C142-E146 WeakPolarHBondContact O-CB 3.5Å; C142-E146 PolarHBondContact O-N 2.78Å; T143-E146 WeakPolarHBondContact O-CB 3.48Å; T143-E146 PolarHBondContact O-N 3.42Å; E146-I148 VanDerWaalsContact C-N 3.35Å; E146-Y149 WeakPolarHBondContact O-CB 3.24Å; E146-Y149 PolarHBondContact O-N 3.09Å; E146-K150 HydrophobicContact CG-CD 4.33Å; E146-K150 WeakPolarHBondContact O-CG 3.34Å; E146-K150 PolarHBondContact O-N 3.05Å; E146-K150 WeakPolarHBondContact OE1-CE 3.44Å; E146-K150 IonicContact OE1-NZ 3.46Å; E146-K150 PolarHBondContact OE1-NZ 3.17Å
147	E	98.6	Very high	97	Very high	93 Å²	93	60.6 Å²	60.6	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-44.1	173.1	-71.4	-179.3	178.7	0	0	111.8	T143 E144 V145 K150 A151 R425	T143-E147 PolarHBondContact O-N 3Å; T143-E147 VanDerWaalsContact O-N 3.07Å; E144-E147 PolarHBondContact O-N 2.66Å; V145-E147 VanDerWaalsContact C-N 3.31Å; V145-E147 PolarHBondContact O-N 3.38Å; E147-K150 PolarHBondContact O-N 3.21Å; E147-A151 VanDerWaalsContact O-CB 3.28Å; E147-A151 WeakPolarHBondContact O-CB 3.24Å; E147-A151 PolarHBondContact O-N 3.13Å; E147-R425 IonicContact OE2-CZ 2.73Å; E147-R425 IonicContact OE2-NH1 3.66Å; E147-R425 PolarHBondContact OE2-NH1 3.47Å; E147-R425 IonicContact OE2-NH2 3.69Å
148	I	98.6	Very high	97.2	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-44.3	176.8	-62.9	164.1	0	0	0	110.5	E144 V145 E146 K150 A151 T152 F418 S421 L422 R425 F426	E144-I148 WeakPolarHBondContact O-CG1 3.02Å; E144-I148 PolarHBondContact O-N 2.97Å; V145-I148 PolarHBondContact O-N 3.34Å; E146-I148 VanDerWaalsContact C-N 3.35Å; I148-K150 VanDerWaalsContact C-N 3.32Å; I148-K150 PolarHBondContact O-N 3.03Å; I148-A151 PolarHBondContact O-N 3.31Å; I148-T152 HydrophobicContact CG2-CG2 4.4Å; I148-T152 WeakPolarHBondContact O-CB 3.22Å; I148-T152 WeakPolarHBondContact O-CG2 3.34Å; I148-T152 PolarHBondContact O-N 3.17Å; I148-T152 PolarHBondContact O-OG1 3.15Å; I148-F418 HydrophobicContact CB-CD2 4.47Å; I148-F418 HydrophobicContact CB-CE2 4.23Å; I148-F418 HydrophobicContact CG2-CD2 3.6Å; I148-F418 HydrophobicContact CG2-CE2 3.79Å; I148-F418 HydrophobicContact CG2-CG 4.19Å; I148-S421 VanDerWaalsContact CG2-CB 3.48Å; I148-L422 HydrophobicContact CD1-CD1 4.08Å; I148-R425 HydrophobicContact CD1-CB 4Å; I148-R425 HydrophobicContact CD1-CG 4.27Å; I148-F426 HydrophobicContact CD1-CE2 4.18Å
149	Y	98.7	Very high	97.3	Very high	27 Å²	27	64.6 Å²	64.6	11%	0.106	34%	0.342	C	S	.	.	H	α-helix	trans	-56.6	-45	176.5	165.7	-95	0	0	0	111.8	V145 E146 T152 Q153 W175 V177 W189 G190	V145-Y149 PolarHBondContact O-N 3.33Å; E146-Y149 WeakPolarHBondContact O-CB 3.24Å; E146-Y149 PolarHBondContact O-N 3.09Å; Y149-T152 PolarHBondContact O-OG1 3.37Å; Y149-Q153 PolarHBondContact O-N 2.98Å; Y149-W175 AromaticContact CD2-CD1 3.77Å; Y149-W175 HydrophobicContact CD2-CD2 4.45Å; Y149-W175 AromaticContact CD2-CE2 3.76Å; Y149-W175 HydrophobicContact CD2-CG 4.46Å; Y149-W175 HydrophobicContact CD2-CZ2 4.26Å; Y149-W175 AromaticContact CD2-NE1 3.28Å; Y149-W175 VanDerWaalsContact CD2-NE1 3.28Å; Y149-W175 AromaticContact CE2-CD1 3.11Å; Y149-W175 HydrophobicContact CE2-CD2 4.04Å; Y149-W175 AromaticContact CE2-CE2 3.77Å; Y149-W175 AromaticContact CE2-CG 3.67Å; Y149-W175 HydrophobicContact CE2-CG 3.67Å; Y149-W175 AromaticContact CE2-NE1 3.17Å; Y149-W175 AromaticContact CZ-CD1 3.41Å; Y149-W175 VanDerWaalsContact CZ-CD1 3.41Å; Y149-W175 AromaticContact CZ-NE1 3.81Å; Y149-W175 PolarHBondContact O-NE1 3.26Å; Y149-W175 PolarHBondContact OH-O 3.34Å; Y149-V177 HydrophobicContact CD2-CB 4.14Å; Y149-V177 HydrophobicContact CD2-CG2 3.75Å; Y149-V177 HydrophobicContact CE2-CG2 4.33Å; Y149-W189 HydrophobicContact CD1-CB 3.99Å; Y149-W189 HydrophobicContact CD1-CG 4.46Å; Y149-W189 HydrophobicContact CD2-CB 3.95Å; Y149-W189 HydrophobicContact CE1-CB 4.08Å; Y149-W189 HydrophobicContact CE2-CB 4Å; Y149-W189 HydrophobicContact CG-CB 3.95Å; Y149-W189 HydrophobicContact CG-CG 4.41Å; Y149-G190 WeakPolarHBondContact OH-CA 3.23Å
150	K	98.5	Very high	97.4	Very high	118 Å²	118	62.2 Å²	62.2	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-69.2	-44.7	178.1	-73.1	174	-177.3	164.7	0	111.9	E146 E147 I148 T152 Q153	E146-K150 HydrophobicContact CG-CD 4.33Å; E146-K150 WeakPolarHBondContact O-CG 3.34Å; E146-K150 PolarHBondContact O-N 3.05Å; E146-K150 WeakPolarHBondContact OE1-CE 3.44Å; E146-K150 IonicContact OE1-NZ 3.46Å; E146-K150 PolarHBondContact OE1-NZ 3.17Å; E147-K150 PolarHBondContact O-N 3.21Å; I148-K150 VanDerWaalsContact C-N 3.32Å; I148-K150 PolarHBondContact O-N 3.03Å; K150-T152 PolarHBondContact O-N 3.07Å; K150-Q153 VanDerWaalsContact O-CB 3.32Å; K150-Q153 WeakPolarHBondContact O-CB 3.02Å; K150-Q153 PolarHBondContact O-N 3.26Å
151	A	98.2	Very high	97.2	Very high	63 Å²	63	56 Å²	56	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-33.8	-179.2	0	0	0	0	0	112.4	E147 I148 C154	E147-A151 VanDerWaalsContact O-CB 3.28Å; E147-A151 WeakPolarHBondContact O-CB 3.24Å; E147-A151 PolarHBondContact O-N 3.13Å; I148-A151 PolarHBondContact O-N 3.31Å; A151-C154 PolarHBondContact O-SG 2.71Å
152	T	98.2	Very high	96.7	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-85.5	-5.2	-178.7	51.2	0	0	0	0	114.2	I148 Y149 K150 C154 Y155 W175 Q417 F418	I148-T152 HydrophobicContact CG2-CG2 4.4Å; I148-T152 WeakPolarHBondContact O-CB 3.22Å; I148-T152 WeakPolarHBondContact O-CG2 3.34Å; I148-T152 PolarHBondContact O-N 3.17Å; I148-T152 PolarHBondContact O-OG1 3.15Å; Y149-T152 PolarHBondContact O-OG1 3.37Å; K150-T152 PolarHBondContact O-N 3.07Å; T152-C154 PolarHBondContact O-N 2.83Å; T152-Y155 HydrophobicContact CG2-CE2 4.48Å; T152-Y155 WeakPolarHBondContact O-CD2 3.39Å; T152-Y155 PolarHBondContact O-N 3.02Å; T152-W175 WeakPolarHBondContact OG1-CZ2 3.47Å; T152-Q417 HydrophobicContact CG2-CB 4.09Å; T152-F418 HydrophobicContact CG2-CB 4.42Å
153	Q	96.8	Very high	95.9	Very high	99 Å²	99	65.8 Å²	65.8	46%	0.463	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-66.1	-26.4	178.3	-168.6	176.4	4	0	0	112.9	Y149 K150 Y155 R414	Y149-Q153 PolarHBondContact O-N 2.98Å; K150-Q153 VanDerWaalsContact O-CB 3.32Å; K150-Q153 WeakPolarHBondContact O-CB 3.02Å; K150-Q153 PolarHBondContact O-N 3.26Å; Q153-Y155 VanDerWaalsContact C-N 3.26Å; Q153-Y155 PolarHBondContact O-N 3.09Å; Q153-R414 PolarHBondContact O-NE 2.62Å; Q153-R414 PolarHBondContact O-NH2 2.81Å
154	C	96.2	Very high	95	Very high	92 Å²	92	63 Å²	63	62%	0.622	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-68.2	-21.6	-177.8	66.3	0	0	0	0	113.9	A151 T152 T156	A151-C154 PolarHBondContact O-SG 2.71Å; T152-C154 PolarHBondContact O-N 2.83Å; C154-T156 PolarHBondContact O-N 3.06Å; C154-T156 VanDerWaalsContact O-N 3.15Å
155	Y	97.5	Very high	94.2	Very high	77 Å²	77	64.1 Å²	64.1	30%	0.302	34%	0.337	S	S	.	.			trans	-72.4	109.2	178.2	-64.4	-86.9	0	0	0	110	T152 Q153 R414 Q417	T152-Y155 HydrophobicContact CG2-CE2 4.48Å; T152-Y155 WeakPolarHBondContact O-CD2 3.39Å; T152-Y155 PolarHBondContact O-N 3.02Å; Q153-Y155 VanDerWaalsContact C-N 3.26Å; Q153-Y155 PolarHBondContact O-N 3.09Å; Y155-R414 WeakPolarHBondContact O-CG 3.1Å; Y155-R414 PolarHBondContact O-NE 2.91Å; Y155-Q417 HydrophobicContact CD1-CG 3.99Å; Y155-Q417 HydrophobicContact CD2-CB 4.13Å; Y155-Q417 HydrophobicContact CD2-CG 4.03Å; Y155-Q417 HydrophobicContact CE1-CG 4Å; Y155-Q417 HydrophobicContact CE2-CB 4.1Å; Y155-Q417 HydrophobicContact CE2-CG 4.07Å; Y155-Q417 HydrophobicContact CG-CG 4Å
156	T	96.6	Very high	93.4	Very high	77 Å²	77	65.4 Å²	65.4	47%	0.472	34%	0.342	S	S	.	.			trans	-121.7	13.5	-178.9	53.8	0	0	0	0	112.7	C154 R405	C154-T156 PolarHBondContact O-N 3.06Å; C154-T156 VanDerWaalsContact O-N 3.15Å; T156-R405 WeakPolarHBondContact O-CD 3.44Å; T156-R405 PolarHBondContact O-NE 3.21Å; T156-R405 VanDerWaalsContact O-NE 3.14Å
157	E	96.4	Very high	92.9	Very high	121 Å²	121	62.7 Å²	62.7	57%	0.565	33%	0.33	S	S	*	.			trans	-67.8	165.2	175.8	-59.7	153.4	-168.5	0	0	111.5	R405 V413	E157-R405 WeakPolarHBondContact O-CB 3.39Å; E157-R405 VanDerWaalsContact O-CD 3.28Å; E157-R405 WeakPolarHBondContact O-CD 3.35Å; E157-V413 HydrophobicContact CB-CG1 4.34Å
158	G	96.7	Very high	92.4	Very high	47 Å²	47	60.3 Å²	60.3	49%	0.485	33%	0.327	S	S	.	.	S	Bend	trans	83.9	-173.4	177.7	0	0	0	0	0	113.8	L406	G158-L406 CarbonylContact C-O 3.55Å; G158-L406 WeakPolarHBondContact CA-O 3.36Å
159	K	96.8	Very high	92.1	Very high	127 Å²	127	69.2 Å²	69.2	55%	0.552	36%	0.36	S	S	*	.	B	Isolated β-bridge	trans	-141.2	155.9	-177.9	64.4	171.2	-170.1	159.1	0	111.4	D162 L406	K159-D162 IonicContact NZ-OD1 2.65Å; K159-D162 PolarHBondContact NZ-OD1 3.49Å; K159-D162 IonicContact NZ-OD2 2.67Å; K159-D162 PolarHBondContact NZ-OD2 3.39Å; K159-L406 PolarHBondContact N-O 3.4Å; K159-L406 VanDerWaalsContact N-O 3.08Å; K159-L406 PolarHBondContact O-N 2.9Å
160	V	95.9	Very high	91.8	Very high	28 Å²	28	69.8 Å²	69.8	17%	0.17	37%	0.366	C	S	.	.			trans	-67.3	154.9	169.5	-64.3	0	0	0	0	110.2	D162 P172 P404	V160-D162 PolarHBondContact O-N 2.73Å; V160-P172 HydrophobicContact CG1-CB 3.84Å; V160-P404 HydrophobicContact CG1-CB 3.76Å
161	A	89.9	Confident	91.7	Very high	6 Å²	6	67.7 Å²	67.7	5%	0.05	36%	0.36	C	S	.	.			trans	-63.9	119.2	170.3	0	0	0	0	0	109.8	Y163 L167 A168 V385 L406	A161-Y163 HydrophobicContact CB-CD1 4.29Å; A161-Y163 HydrophobicContact CB-CE1 3.7Å; A161-L167 HydrophobicContact CB-CB 4.11Å; A161-L167 HydrophobicContact CB-CD1 3.99Å; A161-L167 CarbonylContact O-C 3.58Å; A161-L167 VanDerWaalsContact O-C 3.29Å; A161-A168 WeakPolarHBondContact O-CA 3.33Å; A161-A168 PolarHBondContact O-N 2.94Å; A161-A168 VanDerWaalsContact O-N 3.08Å; A161-V385 WeakPolarHBondContact CB-O 3.49Å; A161-L406 HydrophobicContact CB-CD1 4.14Å
162	D	86.9	Confident	91.7	Very high	94 Å²	94	66.6 Å²	66.6	50%	0.503	35%	0.348	S	S	.	.			trans	-103.7	-9.6	-172	50.1	4.5	0	0	0	113.8	K159 V160	K159-D162 IonicContact NZ-OD1 2.65Å; K159-D162 PolarHBondContact NZ-OD1 3.49Å; K159-D162 IonicContact NZ-OD2 2.67Å; K159-D162 PolarHBondContact NZ-OD2 3.39Å; V160-D162 PolarHBondContact O-N 2.73Å
163	Y	80.3	Confident	91.7	Very high	134 Å²	134	70.5 Å²	70.5	53%	0.525	37%	0.369	S	S	.	.	S	Bend	trans	-83	-11.8	179.9	60.6	-89.9	0	0	0	114	A161 V385	A161-Y163 HydrophobicContact CB-CD1 4.29Å; A161-Y163 HydrophobicContact CB-CE1 3.7Å; Y163-V385 WeakPolarHBondContact OH-CB 3.4Å; Y163-V385 VanDerWaalsContact OH-CG1 3.23Å; Y163-V385 WeakPolarHBondContact OH-CG1 3.09Å; Y163-V385 WeakPolarHBondContact OH-CG2 3.44Å
164	I	79.1	Confident	91.7	Very high	11 Å²	11	67.8 Å²	67.8	6%	0.056	36%	0.356	C	S	.	.	S	Bend	trans	-115.2	115.7	169.1	-63.4	145.6	0	0	0	107	Q166 L167 A168 T291 M295	I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-Q166 PolarHBondContact O-N 3.38Å; I164-Q166 VanDerWaalsContact O-N 3.16Å; I164-L167 HydrophobicContact CB-CB 4.21Å; I164-L167 HydrophobicContact CB-CD1 4.14Å; I164-L167 HydrophobicContact CB-CG 3.97Å; I164-L167 HydrophobicContact CD1-CD1 3.49Å; I164-L167 VanDerWaalsContact CD1-CD1 3.49Å; I164-L167 HydrophobicContact CD1-CG 4.21Å; I164-L167 HydrophobicContact CG1-CD1 4.45Å; I164-L167 HydrophobicContact CG2-CB 4.49Å; I164-L167 HydrophobicContact CG2-CD1 4.49Å; I164-L167 HydrophobicContact CG2-CG 3.97Å; I164-L167 PolarHBondContact O-N 3.32Å; I164-A168 PolarHBondContact O-N 3.14Å; I164-T291 HydrophobicContact CG2-CG2 4.28Å; I164-M295 HydrophobicContact CD1-CE 3.16Å; I164-M295 HydrophobicContact CG1-CE 3.66Å; I164-M295 HydrophobicContact CG1-CG 4.32Å; I164-M295 HydrophobicContact CG2-CE 4.39Å; I164-M295 HydrophobicContact CG2-CG 4.45Å
165	P	81.8	Confident	91.8	Very high	58 Å²	58	63.6 Å²	63.6	38%	0.377	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-29.7	-169.9	-18.5	27.7	0	0	0	114.1	A168 R169 E294	P165-A168 WeakPolarHBondContact O-CB 3.34Å; P165-A168 PolarHBondContact O-N 2.61Å; P165-R169 WeakPolarHBondContact O-CG 3.46Å; P165-R169 PolarHBondContact O-N 3.38Å; P165-E294 WeakPolarHBondContact CB-OE2 3.5Å; P165-E294 WeakPolarHBondContact CD-OE2 3.43Å; P165-E294 WeakPolarHBondContact CG-OE2 3.23Å
166	Q	82.1	Confident	91.9	Very high	26 Å²	26	59.9 Å²	59.9	12%	0.121	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-40	172.6	-64.9	87.3	-2	0	0	113	I164 A168 R169 P290 E294	I164-Q166 VanDerWaalsContact C-N 3.27Å; I164-Q166 PolarHBondContact O-N 3.38Å; I164-Q166 VanDerWaalsContact O-N 3.16Å; Q166-A168 VanDerWaalsContact C-N 3.26Å; Q166-A168 PolarHBondContact O-N 3.45Å; Q166-R169 PolarHBondContact O-N 2.98Å; Q166-P290 PolarHBondContact NE2-O 2.94Å; Q166-E294 PolarHBondContact NE2-OE1 3Å; Q166-E294 PolarHBondContact NE2-OE2 3.37Å; Q166-E294 PolarHBondContact OE1-OE2 2.8Å
167	L	86.7	Confident	92	Very high	13 Å²	13	56.2 Å²	56.2	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-32.9	175.9	-59.7	-170.9	0	0	0	111	A161 I164 R169 V170 V385	A161-L167 HydrophobicContact CB-CB 4.11Å; A161-L167 HydrophobicContact CB-CD1 3.99Å; A161-L167 CarbonylContact O-C 3.58Å; A161-L167 VanDerWaalsContact O-C 3.29Å; I164-L167 HydrophobicContact CB-CB 4.21Å; I164-L167 HydrophobicContact CB-CD1 4.14Å; I164-L167 HydrophobicContact CB-CG 3.97Å; I164-L167 HydrophobicContact CD1-CD1 3.49Å; I164-L167 VanDerWaalsContact CD1-CD1 3.49Å; I164-L167 HydrophobicContact CD1-CG 4.21Å; I164-L167 HydrophobicContact CG1-CD1 4.45Å; I164-L167 HydrophobicContact CG2-CB 4.49Å; I164-L167 HydrophobicContact CG2-CD1 4.49Å; I164-L167 HydrophobicContact CG2-CG 3.97Å; I164-L167 PolarHBondContact O-N 3.32Å; L167-R169 PolarHBondContact O-N 2.86Å; L167-V170 PolarHBondContact O-N 2.87Å; L167-V385 HydrophobicContact CD1-CG2 4.1Å
168	A	89.3	Confident	92.1	Very high	43 Å²	43	50.5 Å²	50.5	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-65.7	-23.8	176.4	0	0	0	0	0	113.2	A161 I164 P165 Q166	A161-A168 WeakPolarHBondContact O-CA 3.33Å; A161-A168 PolarHBondContact O-N 2.94Å; A161-A168 VanDerWaalsContact O-N 3.08Å; I164-A168 PolarHBondContact O-N 3.14Å; P165-A168 WeakPolarHBondContact O-CB 3.34Å; P165-A168 PolarHBondContact O-N 2.61Å; Q166-A168 VanDerWaalsContact C-N 3.26Å; Q166-A168 PolarHBondContact O-N 3.45Å
169	R	91	Very high	92.2	Very high	192 Å²	192	48.3 Å²	48.3	73%	0.725	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.2	-179.2	-70.9	174.3	-169.8	166.3	9.3	114.1	P165 Q166 L167	P165-R169 WeakPolarHBondContact O-CG 3.46Å; P165-R169 PolarHBondContact O-N 3.38Å; Q166-R169 PolarHBondContact O-N 2.98Å; L167-R169 PolarHBondContact O-N 2.86Å
170	V	93.3	Very high	92.3	Very high	39 Å²	39	42.2 Å²	42.2	24%	0.236	21%	0.214	C	C	.	.	S	Bend	trans	-66.6	138.2	178.8	177.4	0	0	0	0	109.6	L167 P172 W402 P404	L167-V170 PolarHBondContact O-N 2.87Å; V170-P172 WeakPolarHBondContact O-CD 3.48Å; V170-P172 VanDerWaalsContact O-N 3.16Å; V170-W402 HydrophobicContact CG1-CH2 4.34Å; V170-W402 HydrophobicContact CG1-CZ2 3.88Å; V170-P404 HydrophobicContact CG1-CB 3.94Å; V170-P404 HydrophobicContact CG1-CG 3.47Å; V170-P404 VanDerWaalsContact CG1-CG 3.47Å
171	D	97	Very high	92.4	Very high	73 Å²	73	40.9 Å²	40.9	39%	0.39	21%	0.206	S	C	.	.			trans	-61.3	118.5	174.2	-177.4	-15.1	0	0	0	109.3	N173 H174 P404	D171-N173 PolarHBondContact O-N 3.45Å; D171-N173 VanDerWaalsContact OD1-CB 3.3Å; D171-N173 WeakPolarHBondContact OD1-CB 3.37Å; D171-N173 PolarHBondContact OD1-N 3.25Å; D171-N173 PolarHBondContact OD1-ND2 3.19Å; D171-H174 PolarHBondContact O-CD2 3.27Å; D171-H174 PolarHBondContact O-N 3.13Å; D171-P404 WeakPolarHBondContact O-CG 3.47Å
172	P	97.2	Very high	92.9	Very high	41 Å²	41	41.5 Å²	41.5	27%	0.266	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.4	-178.2	28.1	-38.2	0	0	0	113.7	V160 V170 R405	V160-P172 HydrophobicContact CG1-CB 3.84Å; V170-P172 WeakPolarHBondContact O-CD 3.48Å; V170-P172 VanDerWaalsContact O-N 3.16Å; P172-R405 VanDerWaalsContact C-NH1 3.34Å; P172-R405 HydrophobicContact CB-CG 3.96Å; P172-R405 PolarHBondContact O-NH1 3.23Å
173	N	97.3	Very high	93.4	Very high	83 Å²	83	39.1 Å²	39.1	44%	0.444	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.5	-174.9	-57.6	-53.2	0	0	0	114.5	D171 W175 R405 R414	D171-N173 PolarHBondContact O-N 3.45Å; D171-N173 VanDerWaalsContact OD1-CB 3.3Å; D171-N173 WeakPolarHBondContact OD1-CB 3.37Å; D171-N173 PolarHBondContact OD1-N 3.25Å; D171-N173 PolarHBondContact OD1-ND2 3.19Å; N173-W175 PolarHBondContact O-N 2.89Å; N173-R405 PolarHBondContact OD1-NH1 2.96Å; N173-R405 PolarHBondContact OD1-NH2 3.31Å; N173-R414 PolarHBondContact O-NH1 2.82Å
174	H	98	Very high	94.2	Very high	42 Å²	42	32.8 Å²	32.8	19%	0.194	17%	0.172	C	C	.	.			trans	-52.5	138.6	178.2	-75.2	-47.4	0	0	0	112.1	D171 D191 L194 W402 P404	D171-H174 PolarHBondContact O-CD2 3.27Å; D171-H174 PolarHBondContact O-N 3.13Å; H174-D191 WeakPolarHBondContact CA-OD2 3.37Å; H174-D191 IonicContact CG-OD2 2.77Å; H174-D191 IonicContact ND1-OD1 3.48Å; H174-D191 IonicContact ND1-OD2 2.63Å; H174-D191 PolarHBondContact ND1-OD2 3.11Å; H174-D191 VanDerWaalsContact ND1-OD2 3.17Å; H174-L194 WeakPolarHBondContact CE1-CD1 3.4Å; H174-L194 WeakPolarHBondContact ND1-CD1 3.29Å; H174-W402 HydrophobicContact CB-CE3 4.21Å; H174-W402 HydrophobicContact CB-CH2 3.89Å; H174-W402 HydrophobicContact CB-CZ3 3.69Å; H174-W402 AromaticContact CD2-CH2 3.61Å; H174-W402 AromaticContact CG-CH2 3.85Å; H174-W402 AromaticContact CG-CZ3 3.87Å; H174-P404 HydrophobicContact CB-CG 4.04Å; H174-P404 WeakPolarHBondContact O-CD 3.13Å
175	W	98.4	Very high	95.2	Very high	3 Å²	3	32.3 Å²	32.3	1%	0.011	17%	0.169	C	C	.	.			trans	-146.9	104.3	179.8	-171.3	-143.7	0	0	0	112.1	Y149 T152 N173 V177 G190 D191 I401 W402 S403 R414 F418	Y149-W175 AromaticContact CD2-CD1 3.77Å; Y149-W175 HydrophobicContact CD2-CD2 4.45Å; Y149-W175 AromaticContact CD2-CE2 3.76Å; Y149-W175 HydrophobicContact CD2-CG 4.46Å; Y149-W175 HydrophobicContact CD2-CZ2 4.26Å; Y149-W175 AromaticContact CD2-NE1 3.28Å; Y149-W175 VanDerWaalsContact CD2-NE1 3.28Å; Y149-W175 AromaticContact CE2-CD1 3.11Å; Y149-W175 HydrophobicContact CE2-CD2 4.04Å; Y149-W175 AromaticContact CE2-CE2 3.77Å; Y149-W175 AromaticContact CE2-CG 3.67Å; Y149-W175 HydrophobicContact CE2-CG 3.67Å; Y149-W175 AromaticContact CE2-NE1 3.17Å; Y149-W175 AromaticContact CZ-CD1 3.41Å; Y149-W175 VanDerWaalsContact CZ-CD1 3.41Å; Y149-W175 AromaticContact CZ-NE1 3.81Å; Y149-W175 PolarHBondContact O-NE1 3.26Å; Y149-W175 PolarHBondContact OH-O 3.34Å; T152-W175 WeakPolarHBondContact OG1-CZ2 3.47Å; N173-W175 PolarHBondContact O-N 2.89Å; W175-V177 HydrophobicContact CH2-CG2 3.95Å; W175-V177 HydrophobicContact CZ2-CG2 3.95Å; W175-V177 HydrophobicContact CZ3-CG2 4.34Å; W175-G190 WeakPolarHBondContact O-CA 3.47Å; W175-D191 PolarHBondContact N-OD2 3.04Å; W175-D191 PolarHBondContact O-N 3.24Å; W175-I401 HydrophobicContact CE3-CG2 4.49Å; W175-I401 HydrophobicContact CH2-CG2 3.45Å; W175-I401 VanDerWaalsContact CH2-CG2 3.45Å; W175-I401 HydrophobicContact CZ3-CG2 3.34Å; W175-W402 WeakPolarHBondContact CA-O 3.36Å; W175-S403 VanDerWaalsContact CE3-CB 3.5Å; W175-R414 HydrophobicContact CD2-CB 4.34Å; W175-R414 HydrophobicContact CE3-CB 3.93Å; W175-R414 HydrophobicContact CH2-CB 3.49Å; W175-R414 VanDerWaalsContact CH2-CB 3.49Å; W175-R414 HydrophobicContact CZ2-CB 3.96Å; W175-R414 HydrophobicContact CZ3-CB 3.46Å; W175-R414 VanDerWaalsContact CZ3-CB 3.46Å; W175-F418 HydrophobicContact CH2-CB 4.12Å; W175-F418 HydrophobicContact CZ2-CB 4.37Å; W175-F418 HydrophobicContact CZ2-CD2 4.29Å
176	G	98.7	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.2	179.1	0	0	0	0	0	112.4	W189 W402	G176-W189 WeakPolarHBondContact CA-O 3.31Å; G176-W402 PolarHBondContact N-O 3.13Å; G176-W402 PolarHBondContact O-N 3.25Å
177	V	98.9	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.5	171.5	177.6	0	0	0	0	108.6	Y149 W175 S188 W189 F399 A400 I401 F418	Y149-V177 HydrophobicContact CD2-CB 4.14Å; Y149-V177 HydrophobicContact CD2-CG2 3.75Å; Y149-V177 HydrophobicContact CE2-CG2 4.33Å; W175-V177 HydrophobicContact CH2-CG2 3.95Å; W175-V177 HydrophobicContact CZ2-CG2 3.95Å; W175-V177 HydrophobicContact CZ3-CG2 4.34Å; V177-S188 CarbonylContact O-C 3.57Å; V177-S188 VanDerWaalsContact O-CA 3.29Å; V177-S188 WeakPolarHBondContact O-CA 3.33Å; V177-W189 HydrophobicContact CB-CE3 4.16Å; V177-W189 HydrophobicContact CG1-CE3 4.02Å; V177-W189 HydrophobicContact CG1-CZ3 4.23Å; V177-W189 PolarHBondContact N-O 3.22Å; V177-W189 VanDerWaalsContact N-O 3.08Å; V177-W189 PolarHBondContact O-N 2.6Å; V177-F399 HydrophobicContact CG1-CD1 4.06Å; V177-F399 HydrophobicContact CG1-CE1 4.49Å; V177-A400 WeakPolarHBondContact CA-O 3.4Å; V177-I401 HydrophobicContact CG1-CG1 4.34Å; V177-I401 HydrophobicContact CG2-CG1 4.32Å; V177-I401 HydrophobicContact CG2-CG2 4.06Å; V177-F418 HydrophobicContact CG1-CE1 4.27Å; V177-F418 HydrophobicContact CG1-CE2 4.07Å; V177-F418 HydrophobicContact CG1-CZ 3.76Å; V177-F418 HydrophobicContact CG2-CD2 4.27Å; V177-F418 HydrophobicContact CG2-CE2 4.2Å
178	A	98.9	Very high	97.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.3	169.4	0	0	0	0	0	111	A187 C325 E326 F399 A400	A178-A187 WeakPolarHBondContact CA-O 3.45Å; A178-C325 VanDerWaalsContact CB-C 3.48Å; A178-C325 HydrophobicContact CB-CB 3.71Å; A178-C325 WeakPolarHBondContact CB-O 3.23Å; A178-E326 HydrophobicContact CB-CG 4.38Å; A178-F399 VanDerWaalsContact O-CA 3.31Å; A178-F399 WeakPolarHBondContact O-CA 3.44Å; A178-A400 PolarHBondContact N-O 3.38Å; A178-A400 PolarHBondContact O-N 2.89Å
179	V	98.9	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.2	-179.8	61	0	0	0	0	110.5	W138 F141 R186 A187 W189 M397 G398 F399	W138-V179 HydrophobicContact CH2-CG1 3.81Å; W138-V179 HydrophobicContact CZ2-CG1 4.21Å; F141-V179 HydrophobicContact CE1-CG2 4.4Å; V179-R186 WeakPolarHBondContact O-CA 3.48Å; V179-A187 HydrophobicContact CG1-CB 3.9Å; V179-A187 PolarHBondContact N-O 3.02Å; V179-A187 PolarHBondContact O-N 3.22Å; V179-W189 HydrophobicContact CG1-CH2 3.84Å; V179-W189 HydrophobicContact CG1-CZ3 3.88Å; V179-M397 HydrophobicContact CG2-CB 4.22Å; V179-M397 HydrophobicContact CG2-CG 4.28Å; V179-M397 HydrophobicContact CG2-SD 3.59Å; V179-M397 VanDerWaalsContact CG2-SD 3.59Å; V179-G398 WeakPolarHBondContact CA-O 3.17Å; V179-F399 HydrophobicContact CB-CD1 3.8Å; V179-F399 HydrophobicContact CB-CE1 3.6Å; V179-F399 HydrophobicContact CB-CG 4.41Å; V179-F399 HydrophobicContact CB-CZ 4.06Å; V179-F399 HydrophobicContact CG1-CE1 4.46Å; V179-F399 HydrophobicContact CG2-CD1 4.11Å; V179-F399 HydrophobicContact CG2-CD2 4.27Å; V179-F399 HydrophobicContact CG2-CE1 3.77Å; V179-F399 HydrophobicContact CG2-CE2 3.94Å; V179-F399 HydrophobicContact CG2-CG 4.36Å; V179-F399 HydrophobicContact CG2-CZ 3.68Å
180	C	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.9	170.6	-179.9	0	0	0	0	109.9	Q185 R186 V330 A333 P342 M397 G398	C180-Q185 CarbonylContact C-O 3.37Å; C180-Q185 VanDerWaalsContact CA-O 3.29Å; C180-Q185 WeakPolarHBondContact CA-O 3.48Å; C180-R186 VanDerWaalsContact CB-CD 3.48Å; C180-R186 WeakPolarHBondContact SG-CD 3.48Å; C180-V330 HydrophobicContact CB-CG2 4.41Å; C180-A333 HydrophobicContact CB-CB 3.64Å; C180-A333 WeakPolarHBondContact O-CB 3.37Å; C180-A333 VanDerWaalsContact SG-CB 3.58Å; C180-P342 VanDerWaalsContact SG-CG 3.58Å; C180-M397 CarbonylContact O-C 3.53Å; C180-M397 WeakPolarHBondContact O-CA 3.36Å; C180-M397 VanDerWaalsContact O-CB 3.25Å; C180-M397 WeakPolarHBondContact O-CB 3.4Å; C180-G398 PolarHBondContact N-O 3.12Å; C180-G398 PolarHBondContact O-N 3.42Å
181	T	98.9	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	166.1	175.3	71.4	0	0	0	0	111.9	V134 I135 W138 D183 G184 Q185 P342 V396 M397	V134-T181 HydrophobicContact CG1-CG2 4.19Å; I135-T181 HydrophobicContact CG1-CG2 3.91Å; W138-T181 HydrophobicContact CE3-CG2 4.37Å; W138-T181 HydrophobicContact CH2-CG2 3.95Å; W138-T181 HydrophobicContact CZ3-CG2 3.46Å; W138-T181 VanDerWaalsContact CZ3-CG2 3.46Å; T181-D183 PolarHBondContact O-N 2.89Å; T181-D183 PolarHBondContact OG1-N 3.36Å; T181-G184 WeakPolarHBondContact O-CA 3.28Å; T181-G184 PolarHBondContact O-N 2.78Å; T181-G184 PolarHBondContact OG1-N 3.04Å; T181-Q185 HydrophobicContact CG2-CB 3.91Å; T181-Q185 HydrophobicContact CG2-CG 4.49Å; T181-Q185 PolarHBondContact N-O 2.97Å; T181-Q185 VanDerWaalsContact OG1-CB 3.28Å; T181-Q185 WeakPolarHBondContact OG1-CB 3.33Å; T181-Q185 WeakPolarHBondContact OG1-CG 3.46Å; T181-Q185 PolarHBondContact OG1-N 3.36Å; T181-Q185 PolarHBondContact OG1-OE1 2.85Å; T181-P342 WeakPolarHBondContact O-CB 3.22Å; T181-V396 CarbonylContact C-O 3.53Å; T181-V396 WeakPolarHBondContact CA-O 3.36Å; T181-V396 WeakPolarHBondContact CB-O 3.47Å; T181-M397 HydrophobicContact CG2-CB 4.15Å; T181-M397 HydrophobicContact CG2-CE 4.34Å
182	V	98.6	Very high	98.4	Very high	19 Å²	19	21.7 Å²	21.7	12%	0.115	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.3	174.4	-63.5	0	0	0	0	113.1	V134 G184 A336 N337 P342 V396	V134-V182 HydrophobicContact CB-CG2 4.11Å; V134-V182 HydrophobicContact CG1-CG2 3.9Å; V134-V182 HydrophobicContact CG2-CG2 4.27Å; V182-G184 VanDerWaalsContact C-N 3.33Å; V182-A336 HydrophobicContact CG1-CB 3.93Å; V182-N337 HydrophobicContact CB-CB 4.07Å; V182-N337 HydrophobicContact CG1-CB 3.74Å; V182-P342 VanDerWaalsContact O-CB 3.24Å; V182-P342 WeakPolarHBondContact O-CB 3.3Å; V182-V396 PolarHBondContact N-O 3.43Å
183	D	98.1	Very high	98.4	Very high	44 Å²	44	26.5 Å²	26.5	24%	0.235	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3	170.3	-64.7	-54.8	0	0	0	113.5	R81 F133 V134 T181	R81-D183 PolarHBondContact NH1-O 3.07Å; R81-D183 PolarHBondContact NH2-O 3.15Å; F133-D183 WeakPolarHBondContact CA-OD2 3.31Å; F133-D183 HydrophobicContact CB-CB 4.06Å; F133-D183 HydrophobicContact CD1-CB 3.55Å; F133-D183 HydrophobicContact CE1-CB 4.08Å; F133-D183 HydrophobicContact CG-CB 3.84Å; V134-D183 VanDerWaalsContact CB-OD2 3.29Å; V134-D183 WeakPolarHBondContact CB-OD2 3.42Å; V134-D183 WeakPolarHBondContact CG1-OD2 3.37Å; V134-D183 PolarHBondContact N-OD2 3.49Å; T181-D183 PolarHBondContact O-N 2.89Å; T181-D183 PolarHBondContact OG1-N 3.36Å
184	G	98.2	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.			trans	77.3	21.8	177.1	0	0	0	0	0	114.5	T181 V182	T181-G184 WeakPolarHBondContact O-CA 3.28Å; T181-G184 PolarHBondContact O-N 2.78Å; T181-G184 PolarHBondContact OG1-N 3.04Å; V182-G184 VanDerWaalsContact C-N 3.33Å
185	Q	98.5	Very high	98.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	15%	0.154	C	C	.	.			trans	-69.2	138.9	167.5	-53.6	168.4	-82.6	0	0	109.1	T73 F133 I135 W138 C180 T181	T73-Q185 WeakPolarHBondContact O-CG 3.18Å; T73-Q185 PolarHBondContact O-NE2 3.42Å; F133-Q185 HydrophobicContact CB-CG 4.34Å; F133-Q185 HydrophobicContact CD2-CG 3.59Å; F133-Q185 HydrophobicContact CE2-CG 4.16Å; F133-Q185 HydrophobicContact CG-CG 4.21Å; I135-Q185 PolarHBondContact O-NE2 3.08Å; W138-Q185 HydrophobicContact CD2-CB 3.97Å; W138-Q185 HydrophobicContact CE3-CB 3.86Å; W138-Q185 HydrophobicContact CE3-CG 4.43Å; W138-Q185 HydrophobicContact CH2-CB 3.95Å; W138-Q185 HydrophobicContact CZ2-CB 4.06Å; W138-Q185 HydrophobicContact CZ3-CB 3.85Å; C180-Q185 CarbonylContact C-O 3.37Å; C180-Q185 VanDerWaalsContact CA-O 3.29Å; C180-Q185 WeakPolarHBondContact CA-O 3.48Å; T181-Q185 HydrophobicContact CG2-CB 3.91Å; T181-Q185 HydrophobicContact CG2-CG 4.49Å; T181-Q185 PolarHBondContact N-O 2.97Å; T181-Q185 VanDerWaalsContact OG1-CB 3.28Å; T181-Q185 WeakPolarHBondContact OG1-CB 3.33Å; T181-Q185 WeakPolarHBondContact OG1-CG 3.46Å; T181-Q185 PolarHBondContact OG1-N 3.36Å; T181-Q185 PolarHBondContact OG1-OE1 2.85Å
186	R	98.3	Very high	98.2	Very high	18 Å²	18	26.9 Å²	26.9	7%	0.068	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.9	-172.7	-53.6	-70.6	-66	-69.6	1.3	112.8	G74 Q76 W138 V179 C180 E283 E326	G74-R186 PolarHBondContact O-N 3.1Å; Q76-R186 HydrophobicContact CG-CB 3.61Å; Q76-R186 HydrophobicContact CG-CG 3.9Å; Q76-R186 PolarHBondContact NE2-O 2.92Å; W138-R186 VanDerWaalsContact CZ2-C 3.48Å; V179-R186 WeakPolarHBondContact O-CA 3.48Å; C180-R186 VanDerWaalsContact CB-CD 3.48Å; C180-R186 WeakPolarHBondContact SG-CD 3.48Å; R186-E283 IonicContact CZ-OE1 2.72Å; R186-E283 IonicContact CZ-OE2 3.84Å; R186-E283 IonicContact NH1-OE1 3.73Å; R186-E283 PolarHBondContact NH1-OE1 3.09Å; R186-E283 IonicContact NH1-OE2 2.97Å; R186-E283 PolarHBondContact NH1-OE2 3.41Å; R186-E283 IonicContact NH2-OE1 3.38Å; R186-E283 IonicContact NH2-OE2 3.84Å; R186-E283 PolarHBondContact NH2-OE2 3.3Å; R186-E326 VanDerWaalsContact NH2-C 3.26Å; R186-E326 PolarHBondContact NH2-O 2.88Å
187	A	98.5	Very high	97.8	Very high	19 Å²	19	27.2 Å²	27.2	16%	0.157	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.5	167.1	0	0	0	0	0	109.9	W138 A178 V179 W189	W138-A187 HydrophobicContact CZ2-CB 3.7Å; A178-A187 WeakPolarHBondContact CA-O 3.45Å; V179-A187 HydrophobicContact CG1-CB 3.9Å; V179-A187 PolarHBondContact N-O 3.02Å; V179-A187 PolarHBondContact O-N 3.22Å; A187-W189 HydrophobicContact CB-CH2 3.67Å; A187-W189 HydrophobicContact CB-CZ2 3.89Å; A187-W189 HydrophobicContact CB-CZ3 4.26Å
188	S	98.5	Very high	97.6	Very high	42 Å²	42	27.2 Å²	27.2	29%	0.294	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.4	179.1	73.4	0	0	0	0	111.1	V177 S192 E326	V177-S188 CarbonylContact O-C 3.57Å; V177-S188 VanDerWaalsContact O-CA 3.29Å; V177-S188 WeakPolarHBondContact O-CA 3.33Å; S188-S192 WeakPolarHBondContact CB-OG 3.38Å; S188-S192 PolarHBondContact OG-OG 2.77Å; S188-E326 PolarHBondContact OG-OE1 3.3Å
189	W	98.6	Very high	97.2	Very high	27 Å²	27	27.4 Å²	27.4	10%	0.102	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	147	-176.3	-56.9	-91.9	0	0	0	110.9	C142 V145 Y149 G176 V177 V179 A187	C142-W189 HydrophobicContact CB-CZ2 4.23Å; V145-W189 HydrophobicContact CB-CH2 3.85Å; V145-W189 HydrophobicContact CB-CZ2 4.08Å; V145-W189 HydrophobicContact CG1-CE3 4.26Å; V145-W189 HydrophobicContact CG1-CH2 3.34Å; V145-W189 HydrophobicContact CG1-CZ2 3.88Å; V145-W189 HydrophobicContact CG1-CZ3 3.55Å; Y149-W189 HydrophobicContact CD1-CB 3.99Å; Y149-W189 HydrophobicContact CD1-CG 4.46Å; Y149-W189 HydrophobicContact CD2-CB 3.95Å; Y149-W189 HydrophobicContact CE1-CB 4.08Å; Y149-W189 HydrophobicContact CE2-CB 4Å; Y149-W189 HydrophobicContact CG-CB 3.95Å; Y149-W189 HydrophobicContact CG-CG 4.41Å; G176-W189 WeakPolarHBondContact CA-O 3.31Å; V177-W189 HydrophobicContact CB-CE3 4.16Å; V177-W189 HydrophobicContact CG1-CE3 4.02Å; V177-W189 HydrophobicContact CG1-CZ3 4.23Å; V177-W189 PolarHBondContact N-O 3.22Å; V177-W189 VanDerWaalsContact N-O 3.08Å; V177-W189 PolarHBondContact O-N 2.6Å; V179-W189 HydrophobicContact CG1-CH2 3.84Å; V179-W189 HydrophobicContact CG1-CZ3 3.88Å; A187-W189 HydrophobicContact CB-CH2 3.67Å; A187-W189 HydrophobicContact CB-CZ2 3.89Å; A187-W189 HydrophobicContact CB-CZ3 4.26Å
190	G	98.3	Very high	96.9	Very high	50 Å²	50	27.9 Å²	27.9	52%	0.515	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	66.1	-138.2	175	0	0	0	0	0	114.1	Y149 W175 S192	Y149-G190 WeakPolarHBondContact OH-CA 3.23Å; W175-G190 WeakPolarHBondContact O-CA 3.47Å; G190-S192 PolarHBondContact O-N 3.21Å
191	D	98.3	Very high	96.8	Very high	57 Å²	57	28 Å²	28	31%	0.305	16%	0.162	S	C	.	.	S	Bend	trans	-75.8	34.1	-177.3	-62.3	-47.1	0	0	0	113.1	H174 W175 K193 L194 W402	H174-D191 WeakPolarHBondContact CA-OD2 3.37Å; H174-D191 IonicContact CG-OD2 2.77Å; H174-D191 IonicContact ND1-OD1 3.48Å; H174-D191 IonicContact ND1-OD2 2.63Å; H174-D191 PolarHBondContact ND1-OD2 3.11Å; H174-D191 VanDerWaalsContact ND1-OD2 3.17Å; W175-D191 PolarHBondContact N-OD2 3.04Å; W175-D191 PolarHBondContact O-N 3.24Å; D191-K193 PolarHBondContact O-N 3.41Å; D191-K193 VanDerWaalsContact O-N 3.14Å; D191-L194 HydrophobicContact CB-CD1 3.85Å; D191-L194 HydrophobicContact CB-CG 4.2Å; D191-L194 PolarHBondContact O-N 3.22Å; D191-W402 HydrophobicContact CB-CZ3 4.36Å
192	S	98.1	Very high	96.6	Very high	7 Å²	7	28 Å²	28	5%	0.049	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.9	-170.9	61.8	0	0	0	0	114.4	S188 G190 N324 C325	S188-S192 WeakPolarHBondContact CB-OG 3.38Å; S188-S192 PolarHBondContact OG-OG 2.77Å; G190-S192 PolarHBondContact O-N 3.21Å; S192-N324 WeakPolarHBondContact O-CB 3.33Å; S192-C325 WeakPolarHBondContact O-CB 3.43Å; S192-C325 PolarHBondContact O-N 3.36Å
193	K	97.8	Very high	96.4	Very high	143 Å²	143	27.4 Å²	27.4	62%	0.622	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-9.6	-177.2	-67.2	-175.5	177.8	-178.8	0	114.4	D191 E326	D191-K193 PolarHBondContact O-N 3.41Å; D191-K193 VanDerWaalsContact O-N 3.14Å; K193-E326 WeakPolarHBondContact CE-OE1 3.36Å; K193-E326 VanDerWaalsContact CE-OE2 3.29Å; K193-E326 WeakPolarHBondContact CE-OE2 3.41Å
194	L	97.5	Very high	96.4	Very high	64 Å²	64	25.3 Å²	25.3	34%	0.335	15%	0.147	S	C	.	.	S	Bend	trans	-68.5	134.8	177.6	-67.5	-174.6	0	0	0	110	H174 D191 N324 W402	H174-L194 WeakPolarHBondContact CE1-CD1 3.4Å; H174-L194 WeakPolarHBondContact ND1-CD1 3.29Å; D191-L194 HydrophobicContact CB-CD1 3.85Å; D191-L194 HydrophobicContact CB-CG 4.2Å; D191-L194 PolarHBondContact O-N 3.22Å; L194-N324 WeakPolarHBondContact O-CB 3.21Å; L194-W402 HydrophobicContact CB-CH2 4.23Å; L194-W402 HydrophobicContact CB-CZ3 3.71Å; L194-W402 HydrophobicContact CD1-CZ3 4.1Å; L194-W402 HydrophobicContact CG-CZ3 4.5Å
195	P	96.2	Very high	96.4	Very high	63 Å²	63	25.3 Å²	25.3	41%	0.409	15%	0.147	S	C	.	.			trans	-74.3	142.2	178.9	30.8	-34.4	0	0	0	111.2	F284 V323	P195-F284 HydrophobicContact CB-CE1 3.72Å; P195-F284 HydrophobicContact CB-CZ 3.9Å; P195-V323 CarbonylContact C-O 3.6Å; P195-V323 WeakPolarHBondContact CA-O 3.44Å
196	W	94.8	Very high	96.3	Very high	9 Å²	9	25.6 Å²	25.6	3%	0.034	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.9	174.3	45	-96.8	0	0	0	110.8	L198 I201 E322 V323 A328 A388 W402	W196-L198 HydrophobicContact CZ3-CD2 4.11Å; W196-I201 HydrophobicContact CH2-CD1 4.26Å; W196-I201 HydrophobicContact CZ3-CD1 3.96Å; W196-E322 WeakPolarHBondContact O-CA 3.41Å; W196-V323 HydrophobicContact CD2-CG2 4.17Å; W196-V323 HydrophobicContact CE3-CG2 3.73Å; W196-V323 HydrophobicContact CH2-CG2 3.46Å; W196-V323 VanDerWaalsContact CH2-CG2 3.46Å; W196-V323 HydrophobicContact CZ2-CG2 3.91Å; W196-V323 HydrophobicContact CZ3-CG2 3.35Å; W196-V323 PolarHBondContact N-O 3.09Å; W196-V323 PolarHBondContact O-N 3.46Å; W196-V323 VanDerWaalsContact O-O 3.14Å; W196-A328 HydrophobicContact CH2-CB 3.63Å; W196-A328 HydrophobicContact CZ2-CB 3.92Å; W196-A388 HydrophobicContact CD2-CB 4.11Å; W196-A388 HydrophobicContact CE3-CB 3.56Å; W196-A388 HydrophobicContact CH2-CB 3.68Å; W196-A388 HydrophobicContact CZ2-CB 4.21Å; W196-A388 HydrophobicContact CZ3-CB 3.32Å; W196-W402 HydrophobicContact CB-CD2 4.27Å; W196-W402 HydrophobicContact CB-CZ2 3.83Å; W196-W402 AromaticContact CD1-CD2 3.29Å; W196-W402 AromaticContact CD1-CE2 3.62Å; W196-W402 AromaticContact CD1-CE3 3.56Å; W196-W402 AromaticContact CD1-CG 3.58Å; W196-W402 HydrophobicContact CD2-CG 4.22Å; W196-W402 AromaticContact CG-CD1 3.9Å; W196-W402 AromaticContact CG-CD2 3.83Å; W196-W402 HydrophobicContact CG-CD2 3.83Å; W196-W402 AromaticContact CG-CE2 3.74Å; W196-W402 HydrophobicContact CG-CE3 4.46Å; W196-W402 AromaticContact CG-CG 3.93Å; W196-W402 HydrophobicContact CG-CG 3.93Å; W196-W402 HydrophobicContact CG-CZ2 4.28Å; W196-W402 AromaticContact CG-NE1 3.8Å; W196-W402 HydrophobicContact CZ2-CB 4.47Å; W196-W402 AromaticContact NE1-CD2 3.78Å; W196-W402 AromaticContact NE1-CG 3.65Å
197	C	92.2	Very high	96.3	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.041	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.6	-178.9	-61.7	0	0	0	0	111.5	Q199 C319 I321 S386	C197-Q199 VanDerWaalsContact C-N 3.25Å; C197-Q199 HydrophobicContact CB-CG 4.09Å; C197-Q199 PolarHBondContact O-N 3.28Å; C197-C319 WeakPolarHBondContact CB-O 3.34Å; C197-I321 CarbonylContact C-O 3.29Å; C197-I321 WeakPolarHBondContact CA-O 3.38Å; C197-S386 VanDerWaalsContact O-CB 3.28Å; C197-S386 WeakPolarHBondContact O-CB 3.34Å; C197-S386 PolarHBondContact O-OG 2.67Å
198	L	93.2	Very high	96.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.			trans	-58.6	-35.4	179.2	-84.1	174.7	0	0	0	113	W196 S200 I201 L205 Y276 I321 V323 M331 A384	W196-L198 HydrophobicContact CZ3-CD2 4.11Å; L198-S200 PolarHBondContact O-N 2.88Å; L198-I201 HydrophobicContact CD2-CB 4.02Å; L198-I201 HydrophobicContact CD2-CG2 3.77Å; L198-I201 WeakPolarHBondContact O-CB 3.38Å; L198-I201 PolarHBondContact O-N 3.14Å; L198-L205 HydrophobicContact CD1-CD1 4.36Å; L198-Y276 HydrophobicContact CD1-CD1 3.56Å; L198-Y276 HydrophobicContact CD1-CE1 3.46Å; L198-Y276 VanDerWaalsContact CD1-CE1 3.46Å; L198-I321 HydrophobicContact CD1-CB 4.17Å; L198-I321 HydrophobicContact CD1-CG2 3.82Å; L198-I321 PolarHBondContact N-O 3.3Å; L198-V323 HydrophobicContact CD1-CG1 3.83Å; L198-V323 HydrophobicContact CD2-CB 4.34Å; L198-V323 HydrophobicContact CD2-CG1 4Å; L198-V323 HydrophobicContact CD2-CG2 3.41Å; L198-V323 VanDerWaalsContact CD2-CG2 3.41Å; L198-V323 HydrophobicContact CG-CB 4.38Å; L198-V323 HydrophobicContact CG-CG1 3.79Å; L198-V323 HydrophobicContact CG-CG2 3.7Å; L198-M331 HydrophobicContact CD1-CE 4.5Å; L198-M331 HydrophobicContact CD2-SD 4.49Å; L198-A384 WeakPolarHBondContact O-CB 3.24Å
199	Q	91.4	Very high	96.2	Very high	6 Å²	6	22 Å²	22	3%	0.028	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	-130.2	-177.9	-62.8	-65.1	-24.9	0	0	110.5	C197 I201 S202 C319 A384 V385	C197-Q199 VanDerWaalsContact C-N 3.25Å; C197-Q199 HydrophobicContact CB-CG 4.09Å; C197-Q199 PolarHBondContact O-N 3.28Å; Q199-I201 PolarHBondContact O-N 2.78Å; Q199-I201 VanDerWaalsContact O-N 3.11Å; Q199-S202 WeakPolarHBondContact O-CB 3.32Å; Q199-S202 PolarHBondContact O-N 3.26Å; Q199-S202 PolarHBondContact O-OG 3.23Å; Q199-C319 PolarHBondContact N-O 3.24Å; Q199-C319 PolarHBondContact NE2-O 3.47Å; Q199-A384 HydrophobicContact CB-CB 3.89Å; Q199-V385 HydrophobicContact CB-CG2 4.17Å; Q199-V385 HydrophobicContact CG-CG2 4.1Å
200	S	92.4	Very high	96.2	Very high	10 Å²	10	20.7 Å²	20.7	7%	0.07	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-8.9	-176.1	-69.6	0	0	0	0	115.4	L198 S202 K203 K382	L198-S200 PolarHBondContact O-N 2.88Å; S200-S202 PolarHBondContact O-N 3.48Å; S200-K203 WeakPolarHBondContact O-CB 3.4Å; S200-K203 PolarHBondContact O-N 2.68Å; S200-K203 PolarHBondContact OG-NZ 2.91Å; S200-K382 VanDerWaalsContact O-CE 3.23Å; S200-K382 WeakPolarHBondContact O-CE 3.42Å; S200-K382 WeakPolarHBondContact O-CG 3.23Å
201	I	96.9	Very high	96.1	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-61.8	-36.2	168.2	-66.8	161.1	0	0	0	110.2	W196 L198 Q199 K203 A204 L205 K382 A384 A388 I390	W196-I201 HydrophobicContact CH2-CD1 4.26Å; W196-I201 HydrophobicContact CZ3-CD1 3.96Å; L198-I201 HydrophobicContact CD2-CB 4.02Å; L198-I201 HydrophobicContact CD2-CG2 3.77Å; L198-I201 WeakPolarHBondContact O-CB 3.38Å; L198-I201 PolarHBondContact O-N 3.14Å; Q199-I201 PolarHBondContact O-N 2.78Å; Q199-I201 VanDerWaalsContact O-N 3.11Å; I201-K203 PolarHBondContact O-N 3.33Å; I201-K203 VanDerWaalsContact O-N 3.09Å; I201-A204 PolarHBondContact O-N 3.36Å; I201-A204 VanDerWaalsContact O-N 3.16Å; I201-L205 HydrophobicContact CG2-CD1 4.48Å; I201-K382 HydrophobicContact CG1-CG 4.41Å; I201-K382 WeakPolarHBondContact CG1-O 3.32Å; I201-A384 HydrophobicContact CD1-CB 3.87Å; I201-A384 HydrophobicContact CG1-CB 3.83Å; I201-A388 HydrophobicContact CD1-CB 3.71Å; I201-I390 HydrophobicContact CD1-CG2 4.29Å; I201-I390 HydrophobicContact CG1-CG1 4.47Å; I201-I390 HydrophobicContact CG2-CD1 3.79Å; I201-I390 HydrophobicContact CG2-CG1 3.97Å; I201-I390 HydrophobicContact CG2-CG2 4.09Å
202	S	95	Very high	96.1	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-55.9	-27.1	176.9	71.8	0	0	0	0	113.5	Q199 S200 L205 S206 Y276	Q199-S202 WeakPolarHBondContact O-CB 3.32Å; Q199-S202 PolarHBondContact O-N 3.26Å; Q199-S202 PolarHBondContact O-OG 3.23Å; S200-S202 PolarHBondContact O-N 3.48Å; S202-L205 PolarHBondContact O-N 2.89Å; S202-S206 VanDerWaalsContact O-CB 3.25Å; S202-S206 WeakPolarHBondContact O-CB 3.21Å; S202-S206 PolarHBondContact O-N 2.9Å; S202-S206 PolarHBondContact O-OG 3.28Å; S202-Y276 WeakPolarHBondContact CA-OH 3.46Å; S202-Y276 VanDerWaalsContact CB-OH 3.27Å; S202-Y276 WeakPolarHBondContact CB-OH 3.36Å; S202-Y276 PolarHBondContact O-OH 3.2Å
203	K	94.4	Very high	96	Very high	5 Å²	5	21 Å²	21	2%	0.022	11%	0.109	C	C	.	.	H	α-helix	trans	-65	-43	179.5	-61.7	-176.4	164.5	64	0	112	S200 I201 Y207 M247 N249 A252 E315	S200-K203 WeakPolarHBondContact O-CB 3.4Å; S200-K203 PolarHBondContact O-N 2.68Å; S200-K203 PolarHBondContact OG-NZ 2.91Å; I201-K203 PolarHBondContact O-N 3.33Å; I201-K203 VanDerWaalsContact O-N 3.09Å; K203-Y207 VanDerWaalsContact O-CB 3.27Å; K203-Y207 WeakPolarHBondContact O-CB 3.34Å; K203-Y207 PolarHBondContact O-N 3.46Å; K203-M247 VanDerWaalsContact CD-O 3.25Å; K203-M247 WeakPolarHBondContact CD-O 3.4Å; K203-N249 WeakPolarHBondContact CE-OD1 3.13Å; K203-N249 PolarHBondContact NZ-OD1 3.09Å; K203-A252 HydrophobicContact CB-CB 4.31Å; K203-A252 HydrophobicContact CD-CB 3.87Å; K203-A252 HydrophobicContact CG-CB 3.66Å; K203-E315 WeakPolarHBondContact CE-OE1 3.49Å; K203-E315 IonicContact NZ-OE1 3.66Å; K203-E315 PolarHBondContact NZ-OE1 2.97Å
204	A	97.7	Very high	96	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-43.2	177.6	0	0	0	0	0	111.3	I201 Y207 A208 M247 V357 M361 K382	I201-A204 PolarHBondContact O-N 3.36Å; I201-A204 VanDerWaalsContact O-N 3.16Å; A204-Y207 PolarHBondContact O-N 3.43Å; A204-A208 PolarHBondContact O-N 3.41Å; A204-M247 HydrophobicContact CB-CE 3.88Å; A204-M247 HydrophobicContact CB-SD 3.96Å; A204-V357 HydrophobicContact CB-CG1 4.41Å; A204-M361 HydrophobicContact CB-CG 4.06Å; A204-M361 HydrophobicContact CB-SD 3.98Å; A204-K382 HydrophobicContact CB-CB 4.37Å; A204-K382 HydrophobicContact CB-CG 4.25Å
205	L	97.8	Very high	95.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.9	-44.6	178.8	-54	-178.4	0	0	0	111.7	L198 I201 S202 Y207 A208 I209 Y276 L279 M331 L335	L198-L205 HydrophobicContact CD1-CD1 4.36Å; I201-L205 HydrophobicContact CG2-CD1 4.48Å; S202-L205 PolarHBondContact O-N 2.89Å; L205-Y207 VanDerWaalsContact C-N 3.29Å; L205-Y207 PolarHBondContact O-N 3.23Å; L205-A208 WeakPolarHBondContact O-CB 3.45Å; L205-A208 PolarHBondContact O-N 2.81Å; L205-I209 WeakPolarHBondContact O-CD1 3.44Å; L205-I209 WeakPolarHBondContact O-CG1 3.11Å; L205-I209 PolarHBondContact O-N 2.68Å; L205-Y276 HydrophobicContact CB-CE1 4.31Å; L205-Y276 HydrophobicContact CB-CE2 4.34Å; L205-Y276 HydrophobicContact CD1-CD1 4.08Å; L205-Y276 HydrophobicContact CD1-CE1 3.81Å; L205-L279 HydrophobicContact CB-CD1 4.05Å; L205-L279 HydrophobicContact CD1-CD1 4.49Å; L205-L279 HydrophobicContact CD2-CD1 4.22Å; L205-L279 HydrophobicContact CG-CD1 4.47Å; L205-M331 HydrophobicContact CD1-SD 3.52Å; L205-M331 VanDerWaalsContact CD1-SD 3.52Å; L205-M331 HydrophobicContact CD2-CB 4.44Å; L205-L335 HydrophobicContact CD2-CD1 4.15Å
206	S	95.9	Very high	95.8	Very high	9 Å²	9	13.5 Å²	13.5	6%	0.063	8%	0.079	C	C	.	.	H	α-helix	trans	-65.7	-33.4	177.4	-55	0	0	0	0	112.1	S202 I209 A210 M272 Y276	S202-S206 VanDerWaalsContact O-CB 3.25Å; S202-S206 WeakPolarHBondContact O-CB 3.21Å; S202-S206 PolarHBondContact O-N 2.9Å; S202-S206 PolarHBondContact O-OG 3.28Å; S206-I209 PolarHBondContact O-N 3.49Å; S206-A210 VanDerWaalsContact O-CB 3.32Å; S206-A210 WeakPolarHBondContact O-CB 3.48Å; S206-A210 PolarHBondContact O-N 2.84Å; S206-M272 WeakPolarHBondContact OG-CE 3.41Å; S206-Y276 PolarHBondContact OG-OH 3.25Å
207	Y	97.9	Very high	95.9	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-43.2	172.7	176.5	-136.9	0	0	0	111.8	K203 A204 L205 I209 A210 L211 V219 H220 P246 M247 L255 V357 L360	K203-Y207 VanDerWaalsContact O-CB 3.27Å; K203-Y207 WeakPolarHBondContact O-CB 3.34Å; K203-Y207 PolarHBondContact O-N 3.46Å; A204-Y207 PolarHBondContact O-N 3.43Å; L205-Y207 VanDerWaalsContact C-N 3.29Å; L205-Y207 PolarHBondContact O-N 3.23Å; Y207-I209 VanDerWaalsContact C-N 3.32Å; Y207-I209 PolarHBondContact O-N 3.03Å; Y207-A210 PolarHBondContact O-N 3.06Å; Y207-L211 HydrophobicContact CD1-CD1 4.46Å; Y207-L211 HydrophobicContact CD2-CD1 4.09Å; Y207-L211 HydrophobicContact CD2-CD2 4.47Å; Y207-L211 HydrophobicContact CD2-CG 3.88Å; Y207-L211 HydrophobicContact CE1-CD1 3.97Å; Y207-L211 HydrophobicContact CE2-CD1 3.57Å; Y207-L211 HydrophobicContact CE2-CD2 3.66Å; Y207-L211 HydrophobicContact CE2-CG 3.46Å; Y207-L211 VanDerWaalsContact CE2-CG 3.46Å; Y207-L211 WeakPolarHBondContact O-CG 3.5Å; Y207-L211 PolarHBondContact O-N 2.92Å; Y207-V219 HydrophobicContact CD2-CG1 4.36Å; Y207-V219 HydrophobicContact CE2-CG1 3.86Å; Y207-H220 AromaticContact CE2-CE1 3.94Å; Y207-H220 AromaticContact CE2-NE2 3.95Å; Y207-H220 AromaticContact CZ-CE1 3.84Å; Y207-H220 AromaticContact CZ-NE2 3.79Å; Y207-H220 PolarHBondContact OH-CE1 2.98Å; Y207-H220 PolarHBondContact OH-NE2 3.32Å; Y207-P246 HydrophobicContact CD1-CB 4.05Å; Y207-P246 HydrophobicContact CD1-CG 4.02Å; Y207-P246 HydrophobicContact CD2-CB 3.8Å; Y207-P246 HydrophobicContact CD2-CG 3.49Å; Y207-P246 VanDerWaalsContact CD2-CG 3.49Å; Y207-P246 HydrophobicContact CE1-CG 4.07Å; Y207-P246 HydrophobicContact CE2-CB 4.35Å; Y207-P246 HydrophobicContact CE2-CG 3.54Å; Y207-P246 HydrophobicContact CG-CB 3.63Å; Y207-P246 HydrophobicContact CG-CG 3.74Å; Y207-M247 HydrophobicContact CD1-CE 4.08Å; Y207-L255 HydrophobicContact CD2-CD1 3.69Å; Y207-L255 HydrophobicContact CG-CD1 4.23Å; Y207-V357 HydrophobicContact CD1-CB 4.23Å; Y207-V357 HydrophobicContact CD1-CG2 3.56Å; Y207-V357 HydrophobicContact CE1-CB 4.47Å; Y207-V357 HydrophobicContact CE1-CG2 3.95Å; Y207-V357 HydrophobicContact CG-CG2 4.19Å; Y207-L360 HydrophobicContact CD1-CD1 4.31Å; Y207-L360 HydrophobicContact CE1-CB 4.39Å; Y207-L360 HydrophobicContact CE1-CD1 3.46Å; Y207-L360 VanDerWaalsContact CE1-CD1 3.46Å; Y207-L360 HydrophobicContact CE1-CG 4.13Å
208	A	98.3	Very high	96	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-56.8	-46.8	174.2	0	0	0	0	0	111.7	A204 L205 L211 D212 L335 V349 V357	A204-A208 PolarHBondContact O-N 3.41Å; L205-A208 WeakPolarHBondContact O-CB 3.45Å; L205-A208 PolarHBondContact O-N 2.81Å; A208-L211 PolarHBondContact O-N 3.3Å; A208-D212 WeakPolarHBondContact O-CB 3.35Å; A208-D212 PolarHBondContact O-N 3.04Å; A208-D212 VanDerWaalsContact O-N 3.07Å; A208-L335 HydrophobicContact CB-CD2 4.43Å; A208-V349 HydrophobicContact CB-CG1 4.49Å; A208-V357 VanDerWaalsContact CA-CG2 3.46Å; A208-V357 HydrophobicContact CB-CG2 3.6Å
209	I	97.8	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-40.4	178.1	-64.4	161	0	0	0	111.2	L205 S206 Y207 D212 I213 F271 M272 M275 Y276 L279	L205-I209 WeakPolarHBondContact O-CD1 3.44Å; L205-I209 WeakPolarHBondContact O-CG1 3.11Å; L205-I209 PolarHBondContact O-N 2.68Å; S206-I209 PolarHBondContact O-N 3.49Å; Y207-I209 VanDerWaalsContact C-N 3.32Å; Y207-I209 PolarHBondContact O-N 3.03Å; I209-D212 PolarHBondContact O-N 3.49Å; I209-I213 HydrophobicContact CG2-CD1 3.56Å; I209-I213 HydrophobicContact CG2-CG1 4.48Å; I209-I213 WeakPolarHBondContact O-CD1 3.4Å; I209-I213 VanDerWaalsContact O-CG1 3.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.37Å; I209-I213 PolarHBondContact O-N 2.96Å; I209-I213 VanDerWaalsContact O-N 3.13Å; I209-F271 HydrophobicContact CG2-CE1 3.96Å; I209-F271 HydrophobicContact CG2-CZ 4.48Å; I209-M272 HydrophobicContact CD1-CE 3.97Å; I209-M272 HydrophobicContact CD1-SD 4.42Å; I209-M272 HydrophobicContact CG2-SD 4.12Å; I209-M275 HydrophobicContact CD1-CB 3.53Å; I209-M275 HydrophobicContact CD1-CG 4.29Å; I209-M275 HydrophobicContact CG1-CB 4.07Å; I209-M275 HydrophobicContact CG1-CE 4.14Å; I209-M275 HydrophobicContact CG1-CG 4.45Å; I209-M275 HydrophobicContact CG2-CE 4.47Å; I209-M275 HydrophobicContact CG2-CG 4.22Å; I209-Y276 HydrophobicContact CD1-CD2 3.97Å; I209-Y276 HydrophobicContact CD1-CE2 3.77Å; I209-L279 HydrophobicContact CD1-CD1 4.27Å
210	A	97.4	Very high	96.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-46.2	178	0	0	0	0	0	111.6	S206 Y207 D212 I213 L214 V219 L255 I259	S206-A210 VanDerWaalsContact O-CB 3.32Å; S206-A210 WeakPolarHBondContact O-CB 3.48Å; S206-A210 PolarHBondContact O-N 2.84Å; Y207-A210 PolarHBondContact O-N 3.06Å; A210-D212 VanDerWaalsContact C-N 3.33Å; A210-D212 PolarHBondContact O-N 3.37Å; A210-I213 PolarHBondContact O-N 2.93Å; A210-L214 WeakPolarHBondContact O-CB 3.41Å; A210-L214 WeakPolarHBondContact O-CG 3.28Å; A210-L214 PolarHBondContact O-N 3.43Å; A210-V219 HydrophobicContact CB-CG2 4.23Å; A210-L255 HydrophobicContact CB-CB 4.39Å; A210-L255 HydrophobicContact CB-CD1 4.22Å; A210-L255 HydrophobicContact CB-CD2 4.3Å; A210-I259 HydrophobicContact CB-CD1 4.05Å; A210-I259 HydrophobicContact CB-CG1 4Å
211	L	98	Very high	96.5	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-43.5	176.5	-73.3	174.9	0	0	0	111.8	Y207 A208 I213 G215 D216 V219 S353 D356 V357	Y207-L211 HydrophobicContact CD1-CD1 4.46Å; Y207-L211 HydrophobicContact CD2-CD1 4.09Å; Y207-L211 HydrophobicContact CD2-CD2 4.47Å; Y207-L211 HydrophobicContact CD2-CG 3.88Å; Y207-L211 HydrophobicContact CE1-CD1 3.97Å; Y207-L211 HydrophobicContact CE2-CD1 3.57Å; Y207-L211 HydrophobicContact CE2-CD2 3.66Å; Y207-L211 HydrophobicContact CE2-CG 3.46Å; Y207-L211 VanDerWaalsContact CE2-CG 3.46Å; Y207-L211 WeakPolarHBondContact O-CG 3.5Å; Y207-L211 PolarHBondContact O-N 2.92Å; A208-L211 PolarHBondContact O-N 3.3Å; L211-I213 PolarHBondContact O-N 2.9Å; L211-G215 VanDerWaalsContact O-CA 3.25Å; L211-G215 WeakPolarHBondContact O-CA 3.22Å; L211-G215 PolarHBondContact O-N 3.13Å; L211-D216 HydrophobicContact CD2-CB 3.95Å; L211-V219 HydrophobicContact CD2-CB 4.08Å; L211-V219 HydrophobicContact CD2-CG1 4.1Å; L211-V219 HydrophobicContact CD2-CG2 4.22Å; L211-S353 WeakPolarHBondContact CD1-O 3.47Å; L211-D356 HydrophobicContact CD1-CB 3.77Å; L211-V357 HydrophobicContact CD1-CG2 4.1Å
212	D	97.2	Very high	96.3	Very high	57 Å²	57	37.6 Å²	37.6	31%	0.305	18%	0.181	S	C	.	.	H	α-helix	trans	-61.7	-42.2	-178.8	-168.3	73.7	0	0	0	112.8	A208 I209 A210 V349 E350 S353	A208-D212 WeakPolarHBondContact O-CB 3.35Å; A208-D212 PolarHBondContact O-N 3.04Å; A208-D212 VanDerWaalsContact O-N 3.07Å; I209-D212 PolarHBondContact O-N 3.49Å; A210-D212 VanDerWaalsContact C-N 3.33Å; A210-D212 PolarHBondContact O-N 3.37Å; D212-V349 HydrophobicContact CB-CB 4.16Å; D212-V349 HydrophobicContact CB-CG1 3.93Å; D212-V349 WeakPolarHBondContact OD1-CA 3.3Å; D212-E350 WeakPolarHBondContact OD1-CG 3.47Å; D212-E350 PolarHBondContact OD1-N 3.1Å; D212-S353 PolarHBondContact N-OG 2.97Å
213	I	96.5	Very high	96.2	Very high	60 Å²	60	37.5 Å²	37.5	31%	0.308	18%	0.18	S	C	.	.	H	α-helix	trans	-84.4	-37.9	-176.2	-61.1	164.2	0	0	0	112.3	I209 A210 L211 I259 F271	I209-I213 HydrophobicContact CG2-CD1 3.56Å; I209-I213 HydrophobicContact CG2-CG1 4.48Å; I209-I213 WeakPolarHBondContact O-CD1 3.4Å; I209-I213 VanDerWaalsContact O-CG1 3.31Å; I209-I213 WeakPolarHBondContact O-CG1 3.37Å; I209-I213 PolarHBondContact O-N 2.96Å; I209-I213 VanDerWaalsContact O-N 3.13Å; A210-I213 PolarHBondContact O-N 2.93Å; L211-I213 PolarHBondContact O-N 2.9Å; I213-I259 HydrophobicContact CD1-CG2 4.23Å; I213-F271 HydrophobicContact CD1-CE1 3.34Å; I213-F271 HydrophobicContact CD1-CZ 3.32Å; I213-F271 HydrophobicContact CG1-CZ 4.3Å
214	L	96.8	Very high	96.2	Very high	44 Å²	44	37.6 Å²	37.6	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-105	-19	-167.2	-57.7	175.3	0	0	0	113.2	A210 L218 V219 L258	A210-L214 WeakPolarHBondContact O-CB 3.41Å; A210-L214 WeakPolarHBondContact O-CG 3.28Å; A210-L214 PolarHBondContact O-N 3.43Å; L214-L218 HydrophobicContact CB-CD2 4.13Å; L214-L218 HydrophobicContact CD2-CD2 4.29Å; L214-L218 WeakPolarHBondContact O-CB 3.49Å; L214-V219 HydrophobicContact CB-CG2 4.04Å; L214-V219 HydrophobicContact CD1-CG2 4.26Å; L214-L258 HydrophobicContact CD1-CB 3.7Å
215	G	96.4	Very high	96	Very high	29 Å²	29	42.7 Å²	42.7	30%	0.299	21%	0.206	S	C	.	.			trans	78.7	155.1	-169.3	0	0	0	0	0	113.1	L211 V219	L211-G215 VanDerWaalsContact O-CA 3.25Å; L211-G215 WeakPolarHBondContact O-CA 3.22Å; L211-G215 PolarHBondContact O-N 3.13Å; G215-V219 WeakPolarHBondContact O-CG2 3.35Å; G215-V219 PolarHBondContact O-N 3.41Å
216	D	94.7	Very high	95.6	Very high	39 Å²	39	49 Å²	49	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-66.1	-39.5	-178.5	61.8	-36	0	0	0	112.8	L211 L218 V219 H220 R352	L211-D216 HydrophobicContact CD2-CB 3.95Å; D216-L218 PolarHBondContact O-N 3.05Å; D216-V219 PolarHBondContact O-N 2.96Å; D216-H220 WeakPolarHBondContact O-CB 3.47Å; D216-H220 PolarHBondContact O-CD2 2.77Å; D216-H220 VanDerWaalsContact O-CD2 3.24Å; D216-H220 PolarHBondContact O-N 3.45Å; D216-R352 VanDerWaalsContact CG-NH2 3.29Å; D216-R352 IonicContact OD1-CZ 2.67Å; D216-R352 IonicContact OD1-NH2 2.8Å; D216-R352 PolarHBondContact OD1-NH2 3.41Å; D216-R352 IonicContact OD2-CZ 2.86Å; D216-R352 IonicContact OD2-NE 2.76Å; D216-R352 IonicContact OD2-NH2 3.05Å; D216-R352 PolarHBondContact OD2-NH2 3.42Å
217	E	95.5	Very high	95.1	Very high	168 Å²	168	52.1 Å²	52.1	79%	0.785	26%	0.256	S	S	*	.	H	α-helix	trans	-57.9	-46.9	178	-67.5	-171.2	175.6	0	0	112.4	R221	E217-R221 PolarHBondContact O-N 3.27Å
218	L	95.5	Very high	94.1	Very high	71 Å²	71	53.4 Å²	53.4	37%	0.372	27%	0.265	S	S	.	.	H	α-helix	trans	-69.7	-44.5	-179.1	-177	58.8	0	0	0	110.9	L214 D216 H220 R221 Y222	L214-L218 HydrophobicContact CB-CD2 4.13Å; L214-L218 HydrophobicContact CD2-CD2 4.29Å; L214-L218 WeakPolarHBondContact O-CB 3.49Å; D216-L218 PolarHBondContact O-N 3.05Å; L218-H220 VanDerWaalsContact C-N 3.35Å; L218-H220 PolarHBondContact O-N 2.86Å; L218-R221 WeakPolarHBondContact O-CB 3.36Å; L218-R221 PolarHBondContact O-N 3.19Å; L218-Y222 HydrophobicContact CD1-CD2 4.42Å; L218-Y222 HydrophobicContact CD1-CE2 3.77Å; L218-Y222 VanDerWaalsContact O-CD2 3.24Å; L218-Y222 WeakPolarHBondContact O-CD2 3.48Å
219	V	96.5	Very high	93	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.6	-48.2	177.8	166.3	0	0	0	0	110.8	Y207 A210 L211 L214 G215 D216 R221 Y222 V223 L255	Y207-V219 HydrophobicContact CD2-CG1 4.36Å; Y207-V219 HydrophobicContact CE2-CG1 3.86Å; A210-V219 HydrophobicContact CB-CG2 4.23Å; L211-V219 HydrophobicContact CD2-CB 4.08Å; L211-V219 HydrophobicContact CD2-CG1 4.1Å; L211-V219 HydrophobicContact CD2-CG2 4.22Å; L214-V219 HydrophobicContact CB-CG2 4.04Å; L214-V219 HydrophobicContact CD1-CG2 4.26Å; G215-V219 WeakPolarHBondContact O-CG2 3.35Å; G215-V219 PolarHBondContact O-N 3.41Å; D216-V219 PolarHBondContact O-N 2.96Å; V219-R221 VanDerWaalsContact C-N 3.31Å; V219-R221 PolarHBondContact O-N 3.49Å; V219-Y222 PolarHBondContact O-N 2.9Å; V219-V223 PolarHBondContact O-N 3.19Å; V219-L255 HydrophobicContact CG1-CD2 3.7Å; V219-L255 HydrophobicContact CG2-CD2 4.39Å
220	H	95.8	Very high	91.5	Very high	21 Å²	21	64.3 Å²	64.3	10%	0.097	33%	0.331	C	S	.	.	H	α-helix	trans	-82.7	-6.9	-174.1	-67.4	-59.1	0	0	0	115.3	Y207 D216 L218 Y222 V223 Q225 R242	Y207-H220 AromaticContact CE2-CE1 3.94Å; Y207-H220 AromaticContact CE2-NE2 3.95Å; Y207-H220 AromaticContact CZ-CE1 3.84Å; Y207-H220 AromaticContact CZ-NE2 3.79Å; Y207-H220 PolarHBondContact OH-CE1 2.98Å; Y207-H220 PolarHBondContact OH-NE2 3.32Å; D216-H220 WeakPolarHBondContact O-CB 3.47Å; D216-H220 PolarHBondContact O-CD2 2.77Å; D216-H220 VanDerWaalsContact O-CD2 3.24Å; D216-H220 PolarHBondContact O-N 3.45Å; L218-H220 VanDerWaalsContact C-N 3.35Å; L218-H220 PolarHBondContact O-N 2.86Å; H220-Y222 PolarHBondContact O-N 2.9Å; H220-V223 VanDerWaalsContact CA-O 3.25Å; H220-V223 WeakPolarHBondContact CA-O 3.4Å; H220-V223 PolarHBondContact ND1-O 2.94Å; H220-Q225 PolarHBondContact CD2-NE2 3.36Å; H220-Q225 WeakPolarHBondContact CE1-CG 3.46Å; H220-Q225 PolarHBondContact CE1-NE2 3.06Å; H220-Q225 VanDerWaalsContact ND1-CG 3.33Å; H220-Q225 WeakPolarHBondContact ND1-CG 3.28Å; H220-Q225 PolarHBondContact NE2-NE2 3.16Å; H220-Q225 VanDerWaalsContact NE2-NE2 3.18Å; H220-R242 PolarHBondContact O-NH1 2.9Å
221	R	94.7	Very high	90	Very high	183 Å²	183	68.9 Å²	68.9	69%	0.691	36%	0.355	S	S	*	.	H	α-helix	trans	-62.2	-31.1	160.4	-168.6	174.1	-175.1	169.4	2	111.9	E217 L218 V219 R242	E217-R221 PolarHBondContact O-N 3.27Å; L218-R221 WeakPolarHBondContact O-CB 3.36Å; L218-R221 PolarHBondContact O-N 3.19Å; V219-R221 VanDerWaalsContact C-N 3.31Å; V219-R221 PolarHBondContact O-N 3.49Å; R221-R242 WeakPolarHBondContact O-CD 3.43Å
222	Y	93	Very high	88.2	Confident	95 Å²	95	72.4 Å²	72.4	37%	0.373	37%	0.371	S	S	.	.	H	α-helix	trans	-107.4	-30.4	-174.3	-67.7	-72.5	0	0	0	114	L218 V219 H220 R242 P243 L254 L258	L218-Y222 HydrophobicContact CD1-CD2 4.42Å; L218-Y222 HydrophobicContact CD1-CE2 3.77Å; L218-Y222 VanDerWaalsContact O-CD2 3.24Å; L218-Y222 WeakPolarHBondContact O-CD2 3.48Å; V219-Y222 PolarHBondContact O-N 2.9Å; H220-Y222 PolarHBondContact O-N 2.9Å; Y222-R242 WeakPolarHBondContact O-CB 3.34Å; Y222-R242 WeakPolarHBondContact O-CG 3.2Å; Y222-P243 WeakPolarHBondContact O-CD 3.34Å; Y222-L254 VanDerWaalsContact O-CD2 3.23Å; Y222-L254 WeakPolarHBondContact O-CD2 3.23Å; Y222-L258 HydrophobicContact CD2-CD1 3.76Å; Y222-L258 HydrophobicContact CD2-CD2 4.31Å; Y222-L258 HydrophobicContact CE2-CD1 4.5Å; Y222-L258 HydrophobicContact CE2-CD2 4.31Å; Y222-L258 HydrophobicContact CG-CD1 4.1Å
223	V	93.3	Very high	86.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-127.8	133.8	-176.8	-176.7	0	0	0	0	110.3	V219 H220 P243 P246 L254 L255	V219-V223 PolarHBondContact O-N 3.19Å; H220-V223 VanDerWaalsContact CA-O 3.25Å; H220-V223 WeakPolarHBondContact CA-O 3.4Å; H220-V223 PolarHBondContact ND1-O 2.94Å; V223-P243 HydrophobicContact CG1-CB 4.46Å; V223-P246 HydrophobicContact CG1-CG 3.79Å; V223-L254 HydrophobicContact CG2-CB 4.18Å; V223-L254 HydrophobicContact CG2-CD2 3.79Å; V223-L254 HydrophobicContact CG2-CG 4.12Å; V223-L255 HydrophobicContact CG2-CD2 3.87Å; V223-L255 HydrophobicContact CG2-CG 4.23Å
224	G	92.8	Very high	84.4	Confident	6 Å²	6	75 Å²	75	6%	0.062	39%	0.385	C	S	.	.			trans	-69.7	-171.3	177.6	0	0	0	0	0	114.2	P243 H244 N245	G224-P243 PolarHBondContact N-O 3.38Å; G224-H244 CarbonylContact C-O 3.51Å; G224-H244 WeakPolarHBondContact CA-O 3.16Å; G224-N245 WeakPolarHBondContact O-CA 3.33Å
225	Q	93.6	Very high	82.7	Confident	107 Å²	107	80.2 Å²	80.2	50%	0.5	41%	0.412	S	S	.	.			trans	-132.8	6.8	-178	-66.3	169.7	-24.4	0	0	112.2	H220 H244 L360	H220-Q225 PolarHBondContact CD2-NE2 3.36Å; H220-Q225 WeakPolarHBondContact CE1-CG 3.46Å; H220-Q225 PolarHBondContact CE1-NE2 3.06Å; H220-Q225 VanDerWaalsContact ND1-CG 3.33Å; H220-Q225 WeakPolarHBondContact ND1-CG 3.28Å; H220-Q225 PolarHBondContact NE2-NE2 3.16Å; H220-Q225 VanDerWaalsContact NE2-NE2 3.18Å; Q225-H244 PolarHBondContact N-O 2.7Å; Q225-L360 HydrophobicContact CB-CD2 4.33Å; Q225-L360 WeakPolarHBondContact O-CD2 3.31Å
226	E	89.5	Confident	81.1	Confident	133 Å²	133	80.2 Å²	80.2	62%	0.621	41%	0.407	S	S	*	.	S	Bend	trans	-106.3	150.9	-172.6	-68.2	-172.7	165.7	0	0	111.3	H244 N245	E226-H244 PolarHBondContact N-O 2.84Å; E226-H244 CarbonylContact O-C 3.49Å; E226-N245 PolarHBondContact O-ND2 3.01Å
227	P	86.2	Confident	80.3	Confident	75 Å²	75	82.5 Å²	82.5	49%	0.487	42%	0.419	S	S	.	.			trans	-55.5	143.5	163.8	-21.2	32.4	0	0	0	110.5	G229	P227-G229 PolarHBondContact O-N 3.16Å
228	S	77.8	Confident	79.4	Confident	29 Å²	29	75.4 Å²	75.4	20%	0.203	39%	0.386	C	S	.	.			trans	-66.9	-23.8	177.6	54.8	0	0	0	0	113.3	R230	S228-R230 PolarHBondContact O-N 3.02Å; S228-R230 VanDerWaalsContact O-N 3.12Å; S228-R230 PolarHBondContact OG-N 2.86Å; S228-R230 PolarHBondContact OG-O 2.67Å
229	G	73.3	Confident	78.6	Confident	81 Å²	81	79.6 Å²	79.6	84%	0.835	40%	0.403	S	S	*	.	S	Bend	trans	65.9	5.4	-172.6	0	0	0	0	0	114.2	P227	P227-G229 PolarHBondContact O-N 3.16Å
230	R	68.2	Low	77.8	Confident	147 Å²	147	83.7 Å²	83.7	56%	0.555	43%	0.425	S	S	*	.	S	Bend	trans	-122.3	169	178.3	-63.3	-167.7	-177.6	-150	2.2	110	S228 F232 D234 C236	S228-R230 PolarHBondContact O-N 3.02Å; S228-R230 VanDerWaalsContact O-N 3.12Å; S228-R230 PolarHBondContact OG-N 2.86Å; S228-R230 PolarHBondContact OG-O 2.67Å; R230-F232 PolarHBondContact O-N 2.86Å; R230-D234 HydrophobicContact CB-CB 4.32Å; R230-C236 PolarHBondContact NH1-SG 3.02Å; R230-C236 VanDerWaalsContact NH1-SG 3.42Å
231	L	64.2	Low	77.2	Confident	97 Å²	97	88.9 Å²	88.9	51%	0.508	45%	0.454	S	S	.	.			trans	-54.1	138.5	175.1	-60.4	175.3	0	0	0	110	N233 D234 D368	L231-N233 VanDerWaalsContact CB-OD1 3.22Å; L231-N233 WeakPolarHBondContact CB-OD1 3.39Å; L231-N233 PolarHBondContact O-N 2.87Å; L231-D234 WeakPolarHBondContact O-CB 3.34Å; L231-D234 PolarHBondContact O-N 3.37Å; L231-D368 WeakPolarHBondContact CA-OD1 3.29Å; L231-D368 WeakPolarHBondContact CD2-OD2 3.31Å
232	F	61	Low	76.8	Confident	79 Å²	79	83.2 Å²	83.2	35%	0.346	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.2	-173.5	75.2	-87.1	0	0	0	115.4	R230 Y367 D368	R230-F232 PolarHBondContact O-N 2.86Å; F232-Y367 HydrophobicContact CB-CD1 3.78Å; F232-Y367 HydrophobicContact CB-CG 4.43Å; F232-Y367 HydrophobicContact CD1-CD1 4.14Å; F232-Y367 HydrophobicContact CD1-CG 4.33Å; F232-Y367 AromaticContact CD2-CD1 3.69Å; F232-Y367 HydrophobicContact CD2-CD1 3.69Å; F232-Y367 AromaticContact CD2-CE1 3.99Å; F232-Y367 HydrophobicContact CD2-CE1 3.99Å; F232-Y367 HydrophobicContact CE2-CD1 4.33Å; F232-Y367 HydrophobicContact CE2-CE1 4.36Å; F232-Y367 AromaticContact CG-CD1 3.58Å; F232-Y367 HydrophobicContact CG-CD1 3.58Å; F232-Y367 HydrophobicContact CG-CE1 4.35Å; F232-Y367 HydrophobicContact CG-CG 4.2Å; F232-D368 PolarHBondContact N-OD1 3.22Å
233	N	56.9	Low	76.6	Confident	102 Å²	102	79 Å²	79	55%	0.545	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.6	-179.9	62.3	-38.1	0	0	0	113.7	L231 I235	L231-N233 VanDerWaalsContact CB-OD1 3.22Å; L231-N233 WeakPolarHBondContact CB-OD1 3.39Å; L231-N233 PolarHBondContact O-N 2.87Å; N233-I235 PolarHBondContact O-N 3.02Å
234	D	56.5	Low	76.4	Confident	70 Å²	70	80.3 Å²	80.3	37%	0.374	42%	0.423	S	S	.	.			trans	-71.9	116.6	175.2	-79.9	-11.6	0	0	0	110.1	R230 L231 C236	R230-D234 HydrophobicContact CB-CB 4.32Å; L231-D234 WeakPolarHBondContact O-CB 3.34Å; L231-D234 PolarHBondContact O-N 3.37Å; D234-C236 PolarHBondContact O-N 3.47Å
235	I	60.7	Low	76.5	Confident	153 Å²	153	80.1 Å²	80.1	79%	0.785	42%	0.42	S	S	*	.			trans	-75.2	78.7	169.9	-53.2	176	0	0	0	108	N233	N233-I235 PolarHBondContact O-N 3.02Å
236	C	64.5	Low	76.5	Confident	29 Å²	29	75 Å²	75	20%	0.196	40%	0.397	C	S	.	.			trans	-111.2	138.4	173.4	-70.7	0	0	0	0	110.1	R230 D234 H244	R230-C236 PolarHBondContact NH1-SG 3.02Å; R230-C236 VanDerWaalsContact NH1-SG 3.42Å; D234-C236 PolarHBondContact O-N 3.47Å; C236-H244 PolarHBondContact O-CD2 3.05Å; C236-H244 VanDerWaalsContact O-CD2 3.31Å
237	L	76	Confident	76.6	Confident	87 Å²	87	69.1 Å²	69.1	46%	0.455	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-97.9	155.3	171.7	-59.2	172.8	0	0	0	109.5	N241 R242 P243	L237-N241 HydrophobicContact CD1-CB 4.27Å; L237-R242 CarbonylContact C-O 3.5Å; L237-R242 WeakPolarHBondContact CA-O 3.47Å; L237-P243 HydrophobicContact CD2-CG 4.27Å
238	D	76.9	Confident	76.6	Confident	18 Å²	18	66.7 Å²	66.7	10%	0.096	35%	0.352	C	S	.	.			trans	-67.7	176.9	172.2	78.2	0.6	0	0	0	111.6	N240 N241 R242	D238-N240 PolarHBondContact O-N 3.42Å; D238-N240 VanDerWaalsContact OD1-C 3.23Å; D238-N240 VanDerWaalsContact OD1-CA 3.25Å; D238-N240 WeakPolarHBondContact OD1-CA 3.39Å; D238-N240 WeakPolarHBondContact OD1-CB 3.29Å; D238-N240 PolarHBondContact OD1-N 3.4Å; D238-N241 PolarHBondContact O-N 3.35Å; D238-N241 PolarHBondContact OD1-N 3.06Å; D238-N241 VanDerWaalsContact OD1-N 3.11Å; D238-R242 PolarHBondContact N-O 3.33Å; D238-R242 WeakPolarHBondContact OD1-CB 3.24Å; D238-R242 PolarHBondContact OD1-N 3.01Å; D238-R242 IonicContact OD1-NE 3.24Å; D238-R242 IonicContact OD2-CZ 3.44Å; D238-R242 IonicContact OD2-NE 2.67Å; D238-R242 PolarHBondContact OD2-NE 3.43Å; D238-R242 VanDerWaalsContact OD2-NE 3.08Å; D238-R242 IonicContact OD2-NH2 3.6Å; D238-R242 PolarHBondContact OD2-NH2 3.41Å
239	H	78.7	Confident	76.9	Confident	159 Å²	159	68.6 Å²	68.6	74%	0.736	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.3	178	62.3	-85	0	0	0	114.1
240	N	80.2	Confident	77.4	Confident	87 Å²	87	66.1 Å²	66.1	47%	0.465	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	12.9	176.4	-63	-40.4	0	0	0	112.5	D238 R242	D238-N240 PolarHBondContact O-N 3.42Å; D238-N240 VanDerWaalsContact OD1-C 3.23Å; D238-N240 VanDerWaalsContact OD1-CA 3.25Å; D238-N240 WeakPolarHBondContact OD1-CA 3.39Å; D238-N240 WeakPolarHBondContact OD1-CB 3.29Å; D238-N240 PolarHBondContact OD1-N 3.4Å; N240-R242 HydrophobicContact CB-CG 4.32Å; N240-R242 PolarHBondContact ND2-NH2 3.03Å; N240-R242 PolarHBondContact O-N 3.09Å
241	N	83.4	Confident	78.4	Confident	129 Å²	129	59.1 Å²	59.1	69%	0.69	31%	0.305	S	S	*	.	S	Bend	trans	58.8	31	-175.1	-58.5	-58	0	0	0	113.9	L237 D238	L237-N241 HydrophobicContact CD1-CB 4.27Å; D238-N241 PolarHBondContact O-N 3.35Å; D238-N241 PolarHBondContact OD1-N 3.06Å; D238-N241 VanDerWaalsContact OD1-N 3.11Å
242	R	85.9	Confident	79.6	Confident	64 Å²	64	54.9 Å²	54.9	24%	0.242	28%	0.284	C	S	.	.	S	Bend	trans	-106.3	152.2	174.5	-59.8	176.2	-57.8	176.6	1.5	110.6	H220 R221 Y222 L237 D238 N240 H244	H220-R242 PolarHBondContact O-NH1 2.9Å; R221-R242 WeakPolarHBondContact O-CD 3.43Å; Y222-R242 WeakPolarHBondContact O-CB 3.34Å; Y222-R242 WeakPolarHBondContact O-CG 3.2Å; L237-R242 CarbonylContact C-O 3.5Å; L237-R242 WeakPolarHBondContact CA-O 3.47Å; D238-R242 PolarHBondContact N-O 3.33Å; D238-R242 WeakPolarHBondContact OD1-CB 3.24Å; D238-R242 PolarHBondContact OD1-N 3.01Å; D238-R242 IonicContact OD1-NE 3.24Å; D238-R242 IonicContact OD2-CZ 3.44Å; D238-R242 IonicContact OD2-NE 2.67Å; D238-R242 PolarHBondContact OD2-NE 3.43Å; D238-R242 VanDerWaalsContact OD2-NE 3.08Å; D238-R242 IonicContact OD2-NH2 3.6Å; D238-R242 PolarHBondContact OD2-NH2 3.41Å; N240-R242 HydrophobicContact CB-CG 4.32Å; N240-R242 PolarHBondContact ND2-NH2 3.03Å; N240-R242 PolarHBondContact O-N 3.09Å; R242-H244 PolarHBondContact O-N 3.06Å
243	P	89.5	Confident	80.7	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.052	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-56.9	138.9	164.8	-21.1	33.2	0	0	0	110.5	Y222 V223 G224 L237 N245 I248 A250 L254	Y222-P243 WeakPolarHBondContact O-CD 3.34Å; V223-P243 HydrophobicContact CG1-CB 4.46Å; G224-P243 PolarHBondContact N-O 3.38Å; L237-P243 HydrophobicContact CD2-CG 4.27Å; P243-N245 VanDerWaalsContact C-N 3.3Å; P243-N245 PolarHBondContact O-N 2.83Å; P243-I248 HydrophobicContact CB-CD1 4.28Å; P243-A250 HydrophobicContact CB-CB 3.95Å; P243-A250 HydrophobicContact CG-CB 4.04Å; P243-L254 HydrophobicContact CG-CB 4.46Å; P243-L254 HydrophobicContact CG-CD2 3.86Å
244	H	89.6	Confident	82.2	Confident	27 Å²	27	49.9 Å²	49.9	13%	0.125	26%	0.26	C	S	.	.	S	Bend	trans	-58.4	-38.9	-175.2	-76.5	-82.5	0	0	0	114.1	G224 Q225 E226 C236 R242 I248	G224-H244 CarbonylContact C-O 3.51Å; G224-H244 WeakPolarHBondContact CA-O 3.16Å; Q225-H244 PolarHBondContact N-O 2.7Å; E226-H244 PolarHBondContact N-O 2.84Å; E226-H244 CarbonylContact O-C 3.49Å; C236-H244 PolarHBondContact O-CD2 3.05Å; C236-H244 VanDerWaalsContact O-CD2 3.31Å; R242-H244 PolarHBondContact O-N 3.06Å; H244-I248 HydrophobicContact CB-CD1 4.3Å
245	N	93.2	Very high	83.8	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.011	24%	0.243	C	C	.	.			trans	-161.6	168.4	178.7	61.6	74.3	0	0	0	111.3	G224 E226 P243 M247 I248 G251	G224-N245 WeakPolarHBondContact O-CA 3.33Å; E226-N245 PolarHBondContact O-ND2 3.01Å; P243-N245 VanDerWaalsContact C-N 3.3Å; P243-N245 PolarHBondContact O-N 2.83Å; N245-M247 VanDerWaalsContact C-N 3.28Å; N245-M247 PolarHBondContact O-N 2.83Å; N245-M247 WeakPolarHBondContact OD1-CA 3.5Å; N245-M247 VanDerWaalsContact OD1-CB 3.29Å; N245-M247 WeakPolarHBondContact OD1-CB 3.32Å; N245-M247 PolarHBondContact OD1-N 2.93Å; N245-I248 WeakPolarHBondContact O-CG1 3.21Å; N245-I248 PolarHBondContact OD1-N 3.24Å; N245-G251 WeakPolarHBondContact O-CA 3.28Å
246	P	93.6	Very high	85.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.7	176.3	-25.4	38.7	0	0	0	115.9	Y207 V223 I248 L255 L360	Y207-P246 HydrophobicContact CD1-CB 4.05Å; Y207-P246 HydrophobicContact CD1-CG 4.02Å; Y207-P246 HydrophobicContact CD2-CB 3.8Å; Y207-P246 HydrophobicContact CD2-CG 3.49Å; Y207-P246 VanDerWaalsContact CD2-CG 3.49Å; Y207-P246 HydrophobicContact CE1-CG 4.07Å; Y207-P246 HydrophobicContact CE2-CB 4.35Å; Y207-P246 HydrophobicContact CE2-CG 3.54Å; Y207-P246 HydrophobicContact CG-CB 3.63Å; Y207-P246 HydrophobicContact CG-CG 3.74Å; V223-P246 HydrophobicContact CG1-CG 3.79Å; P246-I248 VanDerWaalsContact C-N 3.28Å; P246-I248 PolarHBondContact O-N 3.19Å; P246-L255 HydrophobicContact CB-CD1 3.66Å; P246-L255 HydrophobicContact CG-CD1 4.06Å; P246-L360 HydrophobicContact CG-CD1 3.91Å
247	M	92.2	Very high	86.2	Confident	8 Å²	8	39 Å²	39	4%	0.039	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.5	-173.6	-58.2	-61.5	174.7	0	0	113.1	K203 A204 Y207 N245 L360 M361 C364 K382	K203-M247 VanDerWaalsContact CD-O 3.25Å; K203-M247 WeakPolarHBondContact CD-O 3.4Å; A204-M247 HydrophobicContact CB-CE 3.88Å; A204-M247 HydrophobicContact CB-SD 3.96Å; Y207-M247 HydrophobicContact CD1-CE 4.08Å; N245-M247 VanDerWaalsContact C-N 3.28Å; N245-M247 PolarHBondContact O-N 2.83Å; N245-M247 WeakPolarHBondContact OD1-CA 3.5Å; N245-M247 VanDerWaalsContact OD1-CB 3.29Å; N245-M247 WeakPolarHBondContact OD1-CB 3.32Å; N245-M247 PolarHBondContact OD1-N 2.93Å; M247-L360 HydrophobicContact CE-CB 3.83Å; M247-L360 HydrophobicContact CG-CB 4.26Å; M247-M361 HydrophobicContact CE-CG 3.72Å; M247-C364 HydrophobicContact CB-CB 4.02Å; M247-C364 HydrophobicContact CG-CB 4.06Å; M247-K382 HydrophobicContact SD-CD 3.91Å
248	I	87.1	Confident	86.9	Confident	25 Å²	25	36 Å²	36	13%	0.128	19%	0.188	C	C	.	.	S	Bend	trans	-99	158.5	171.5	60.3	162	0	0	0	111.4	P243 H244 N245 P246 A250 G251 A252	P243-I248 HydrophobicContact CB-CD1 4.28Å; H244-I248 HydrophobicContact CB-CD1 4.3Å; N245-I248 WeakPolarHBondContact O-CG1 3.21Å; N245-I248 PolarHBondContact OD1-N 3.24Å; P246-I248 VanDerWaalsContact C-N 3.28Å; P246-I248 PolarHBondContact O-N 3.19Å; I248-A250 HydrophobicContact CD1-CB 4.31Å; I248-A250 PolarHBondContact O-N 3.49Å; I248-G251 PolarHBondContact O-N 3.03Å; I248-G251 VanDerWaalsContact O-N 3.15Å; I248-A252 PolarHBondContact O-N 3.23Å
249	N	84.4	Confident	87.6	Confident	68 Å²	68	35.2 Å²	35.2	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-55.6	-47.8	-176.7	-66.8	1.3	0	0	0	112.2	K203 G251 A252 I253	K203-N249 WeakPolarHBondContact CE-OD1 3.13Å; K203-N249 PolarHBondContact NZ-OD1 3.09Å; N249-G251 VanDerWaalsContact C-N 3.27Å; N249-G251 PolarHBondContact O-N 3.2Å; N249-A252 PolarHBondContact O-N 3.42Å; N249-A252 VanDerWaalsContact O-N 3.14Å; N249-I253 HydrophobicContact CB-CD1 4.48Å; N249-I253 WeakPolarHBondContact O-CB 3.43Å; N249-I253 WeakPolarHBondContact O-CD1 3.45Å; N249-I253 WeakPolarHBondContact O-CG1 3.5Å; N249-I253 PolarHBondContact O-N 3.04Å
250	A	83.5	Confident	88.2	Confident	29 Å²	29	31.4 Å²	31.4	24%	0.24	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-39	-179.8	0	0	0	0	0	112.9	P243 I248 L254	P243-A250 HydrophobicContact CB-CB 3.95Å; P243-A250 HydrophobicContact CG-CB 4.04Å; I248-A250 HydrophobicContact CD1-CB 4.31Å; I248-A250 PolarHBondContact O-N 3.49Å; A250-L254 WeakPolarHBondContact O-CB 3.44Å; A250-L254 PolarHBondContact O-N 2.65Å
251	G	88.9	Confident	88.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-46.3	175.6	0	0	0	0	0	111.8	N245 I248 N249 I253 L254 L255	N245-G251 WeakPolarHBondContact O-CA 3.28Å; I248-G251 PolarHBondContact O-N 3.03Å; I248-G251 VanDerWaalsContact O-N 3.15Å; N249-G251 VanDerWaalsContact C-N 3.27Å; N249-G251 PolarHBondContact O-N 3.2Å; G251-I253 PolarHBondContact O-N 3.21Å; G251-L254 PolarHBondContact O-N 2.98Å; G251-L255 WeakPolarHBondContact O-CG 3.46Å; G251-L255 PolarHBondContact O-N 3.3Å
252	A	88.3	Confident	89.1	Confident	8 Å²	8	34.3 Å²	34.3	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-42.8	178.5	0	0	0	0	0	112.6	K203 I248 N249 L254 L255 A256 E315	K203-A252 HydrophobicContact CB-CB 4.31Å; K203-A252 HydrophobicContact CD-CB 3.87Å; K203-A252 HydrophobicContact CG-CB 3.66Å; I248-A252 PolarHBondContact O-N 3.23Å; N249-A252 PolarHBondContact O-N 3.42Å; N249-A252 VanDerWaalsContact O-N 3.14Å; A252-L254 VanDerWaalsContact C-N 3.35Å; A252-L254 PolarHBondContact O-N 3.31Å; A252-L255 PolarHBondContact O-N 2.9Å; A252-A256 WeakPolarHBondContact O-CB 3.41Å; A252-A256 PolarHBondContact O-N 3.48Å; A252-E315 HydrophobicContact CB-CG 3.68Å
253	I	84.9	Confident	89.2	Confident	30 Å²	30	34.9 Å²	34.9	15%	0.154	18%	0.182	C	C	.	.	H	α-helix	trans	-60.2	-44.7	174.8	-69.3	165.4	0	0	0	110.9	N249 G251 A256 S257 Y312 E315	N249-I253 HydrophobicContact CB-CD1 4.48Å; N249-I253 WeakPolarHBondContact O-CB 3.43Å; N249-I253 WeakPolarHBondContact O-CD1 3.45Å; N249-I253 WeakPolarHBondContact O-CG1 3.5Å; N249-I253 PolarHBondContact O-N 3.04Å; G251-I253 PolarHBondContact O-N 3.21Å; I253-A256 CarbonylContact O-C 3.53Å; I253-A256 PolarHBondContact O-N 2.99Å; I253-S257 PolarHBondContact O-N 3.39Å; I253-Y312 HydrophobicContact CD1-CD2 3.45Å; I253-Y312 VanDerWaalsContact CD1-CD2 3.45Å; I253-Y312 HydrophobicContact CD1-CE2 4.19Å; I253-Y312 HydrophobicContact CD1-CG 4.23Å; I253-E315 HydrophobicContact CB-CB 4.49Å; I253-E315 HydrophobicContact CG1-CB 3.56Å; I253-E315 HydrophobicContact CG1-CG 3.95Å; I253-E315 WeakPolarHBondContact CG1-OE2 3.31Å
254	L	87.6	Confident	89.1	Confident	47 Å²	47	37.7 Å²	37.7	25%	0.246	20%	0.201	C	C	.	.	H	α-helix	trans	-66.4	-43.1	179.5	-171.9	55.3	0	0	0	111.4	Y222 V223 P243 A250 G251 A252 S257 L258	Y222-L254 VanDerWaalsContact O-CD2 3.23Å; Y222-L254 WeakPolarHBondContact O-CD2 3.23Å; V223-L254 HydrophobicContact CG2-CB 4.18Å; V223-L254 HydrophobicContact CG2-CD2 3.79Å; V223-L254 HydrophobicContact CG2-CG 4.12Å; P243-L254 HydrophobicContact CG-CB 4.46Å; P243-L254 HydrophobicContact CG-CD2 3.86Å; A250-L254 WeakPolarHBondContact O-CB 3.44Å; A250-L254 PolarHBondContact O-N 2.65Å; G251-L254 PolarHBondContact O-N 2.98Å; A252-L254 VanDerWaalsContact C-N 3.35Å; A252-L254 PolarHBondContact O-N 3.31Å; L254-S257 WeakPolarHBondContact O-CA 3.41Å; L254-S257 WeakPolarHBondContact O-CB 3.44Å; L254-S257 PolarHBondContact O-N 3.36Å; L254-S257 PolarHBondContact O-OG 3.06Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.92Å
255	L	90.9	Very high	88.7	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-44.7	174.3	-65.1	-172.4	0	0	0	111.9	Y207 A210 V219 V223 P246 G251 A252 S257 L258 I259	Y207-L255 HydrophobicContact CD2-CD1 3.69Å; Y207-L255 HydrophobicContact CG-CD1 4.23Å; A210-L255 HydrophobicContact CB-CB 4.39Å; A210-L255 HydrophobicContact CB-CD1 4.22Å; A210-L255 HydrophobicContact CB-CD2 4.3Å; V219-L255 HydrophobicContact CG1-CD2 3.7Å; V219-L255 HydrophobicContact CG2-CD2 4.39Å; V223-L255 HydrophobicContact CG2-CD2 3.87Å; V223-L255 HydrophobicContact CG2-CG 4.23Å; P246-L255 HydrophobicContact CB-CD1 3.66Å; P246-L255 HydrophobicContact CG-CD1 4.06Å; G251-L255 WeakPolarHBondContact O-CG 3.46Å; G251-L255 PolarHBondContact O-N 3.3Å; A252-L255 PolarHBondContact O-N 2.9Å; L255-S257 PolarHBondContact O-N 3.23Å; L255-L258 PolarHBondContact O-N 2.87Å; L255-I259 WeakPolarHBondContact O-CG1 3.16Å; L255-I259 PolarHBondContact O-N 3.27Å; L255-I259 VanDerWaalsContact O-N 3.07Å
256	A	88	Confident	88.2	Confident	2 Å²	2	45.1 Å²	45.1	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-71.2	24.8	167.1	0	0	0	0	0	112.2	A252 I253 R314	A252-A256 WeakPolarHBondContact O-CB 3.41Å; A252-A256 PolarHBondContact O-N 3.48Å; I253-A256 CarbonylContact O-C 3.53Å; I253-A256 PolarHBondContact O-N 2.99Å; A256-R314 HydrophobicContact CB-CG 4.28Å; A256-R314 WeakPolarHBondContact O-CD 3.48Å; A256-R314 PolarHBondContact O-NE 3.01Å; A256-R314 PolarHBondContact O-NH1 3.37Å
257	S	87.3	Confident	88	Confident	19 Å²	19	49.4 Å²	49.4	13%	0.133	27%	0.272	C	S	.	.	H	α-helix	trans	-118.4	-26.7	160.1	78.1	0	0	0	0	110.4	I253 L254 L255 R268 Y311	I253-S257 PolarHBondContact O-N 3.39Å; L254-S257 WeakPolarHBondContact O-CA 3.41Å; L254-S257 WeakPolarHBondContact O-CB 3.44Å; L254-S257 PolarHBondContact O-N 3.36Å; L254-S257 PolarHBondContact O-OG 3.06Å; L255-S257 PolarHBondContact O-N 3.23Å; S257-R268 PolarHBondContact O-NH2 3.01Å; S257-Y311 VanDerWaalsContact CB-CD1 3.4Å
258	L	91.3	Very high	87.8	Confident	25 Å²	25	49.8 Å²	49.8	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-86.9	-36.1	-176.1	-62.5	172.8	0	0	0	113.2	L214 Y222 L254 L255 K260 K261	L214-L258 HydrophobicContact CD1-CB 3.7Å; Y222-L258 HydrophobicContact CD2-CD1 3.76Å; Y222-L258 HydrophobicContact CD2-CD2 4.31Å; Y222-L258 HydrophobicContact CE2-CD1 4.5Å; Y222-L258 HydrophobicContact CE2-CD2 4.31Å; Y222-L258 HydrophobicContact CG-CD1 4.1Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.92Å; L255-L258 PolarHBondContact O-N 2.87Å; L258-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact O-N 3.17Å; L258-K261 PolarHBondContact O-N 2.79Å
259	I	91.7	Very high	87.8	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	121.7	-179.1	-64.4	166.1	0	0	0	109.6	A210 I213 L255 K261 R268 F271 M272 R314	A210-I259 HydrophobicContact CB-CD1 4.05Å; A210-I259 HydrophobicContact CB-CG1 4Å; I213-I259 HydrophobicContact CD1-CG2 4.23Å; L255-I259 WeakPolarHBondContact O-CG1 3.16Å; L255-I259 PolarHBondContact O-N 3.27Å; L255-I259 VanDerWaalsContact O-N 3.07Å; I259-K261 VanDerWaalsContact C-N 3.29Å; I259-K261 PolarHBondContact O-N 2.82Å; I259-R268 PolarHBondContact O-NE 3.34Å; I259-R268 PolarHBondContact O-NH2 3.41Å; I259-F271 HydrophobicContact CG2-CD1 4.22Å; I259-F271 HydrophobicContact CG2-CE1 4.1Å; I259-M272 HydrophobicContact CD1-CE 4.16Å; I259-M272 HydrophobicContact CD1-SD 3.9Å; I259-M272 HydrophobicContact CG2-SD 3.99Å; I259-R314 PolarHBondContact O-NH2 3.26Å; I259-R314 VanDerWaalsContact O-NH2 3.12Å
260	K	91.3	Very high	88.1	Confident	79 Å²	79	51.7 Å²	51.7	34%	0.343	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	46.7	176.7	-65.1	-65.4	-169.3	165.5	0	112.4	L258 D262 D263 R268 F271	L258-K260 PolarHBondContact O-N 3.32Å; L258-K260 VanDerWaalsContact O-N 3.17Å; K260-D262 PolarHBondContact O-N 3.34Å; K260-D263 HydrophobicContact CB-CB 4.46Å; K260-D263 WeakPolarHBondContact CB-OD2 3.45Å; K260-D263 WeakPolarHBondContact CD-OD2 3.43Å; K260-D263 PolarHBondContact O-N 3.22Å; K260-R268 HydrophobicContact CB-CG 3.99Å; K260-R268 WeakPolarHBondContact O-CD 3.29Å; K260-R268 WeakPolarHBondContact O-CG 3.25Å; K260-R268 PolarHBondContact O-NE 3.15Å; K260-F271 HydrophobicContact CG-CD1 3.95Å; K260-F271 HydrophobicContact CG-CE1 4.22Å; K260-F271 HydrophobicContact CG-CG 4.2Å
261	K	89.2	Confident	88.6	Confident	134 Å²	134	52.6 Å²	52.6	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.6	-170.7	70.1	179.1	-173.5	176.6	0	115.8	L258 I259 R268	L258-K261 PolarHBondContact O-N 2.79Å; I259-K261 VanDerWaalsContact C-N 3.29Å; I259-K261 PolarHBondContact O-N 2.82Å; K261-R268 VanDerWaalsContact CA-NH2 3.34Å
262	D	92.2	Very high	88.8	Confident	143 Å²	143	52.7 Å²	52.7	77%	0.765	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.7	-176.9	-53.6	-54.3	0	0	0	112.4	K260	K260-D262 PolarHBondContact O-N 3.34Å
263	D	88.9	Confident	89	Confident	75 Å²	75	53.6 Å²	53.6	40%	0.401	28%	0.284	S	S	.	.	S	Bend	trans	-89	162.8	178.8	-62	-27.2	0	0	0	112	K260 D267 R268	K260-D263 HydrophobicContact CB-CB 4.46Å; K260-D263 WeakPolarHBondContact CB-OD2 3.45Å; K260-D263 WeakPolarHBondContact CD-OD2 3.43Å; K260-D263 PolarHBondContact O-N 3.22Å; D263-D267 HydrophobicContact CB-CB 4.38Å; D263-R268 HydrophobicContact CB-CG 3.87Å; D263-R268 WeakPolarHBondContact O-CD 3.47Å
264	C	87.6	Confident	89.6	Confident	67 Å²	67	56 Å²	56	45%	0.453	30%	0.295	S	S	.	.			trans	-72.2	159.7	175.6	88.3	0	0	0	0	112	A266 D267 R268	C264-A266 VanDerWaalsContact C-N 3.26Å; C264-A266 PolarHBondContact O-N 3.45Å; C264-D267 PolarHBondContact O-N 3.44Å; C264-D267 PolarHBondContact SG-OD2 3.02Å; C264-R268 WeakPolarHBondContact O-CG 3.15Å; C264-R268 PolarHBondContact O-N 3.22Å; C264-R268 VanDerWaalsContact O-N 3.1Å
265	L	80.4	Confident	90.1	Very high	129 Å²	129	54.5 Å²	54.5	68%	0.675	29%	0.286	S	S	*	.	H	α-helix	trans	-61.2	-31.5	-174.9	-67.4	179.8	0	0	0	114.1	F269	L265-F269 PolarHBondContact O-N 2.85Å
266	A	83.1	Confident	90.4	Very high	57 Å²	57	54.4 Å²	54.4	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-68	-53.2	177.8	0	0	0	0	0	110.7	C264 R268 F269 D270	C264-A266 VanDerWaalsContact C-N 3.26Å; C264-A266 PolarHBondContact O-N 3.45Å; A266-R268 PolarHBondContact O-N 3.03Å; A266-F269 WeakPolarHBondContact O-CA 3.44Å; A266-F269 WeakPolarHBondContact O-CB 3.4Å; A266-F269 PolarHBondContact O-N 2.93Å; A266-D270 PolarHBondContact O-N 3.26Å
267	D	88.8	Confident	90.8	Very high	90 Å²	90	57.2 Å²	57.2	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-59.3	-36.6	179.8	-58.3	-28.2	0	0	0	112.2	D263 C264 F269 D270 F271	D263-D267 HydrophobicContact CB-CB 4.38Å; C264-D267 PolarHBondContact O-N 3.44Å; C264-D267 PolarHBondContact SG-OD2 3.02Å; D267-F269 VanDerWaalsContact C-N 3.34Å; D267-D270 PolarHBondContact O-N 3.08Å; D267-F271 WeakPolarHBondContact O-CB 3.35Å; D267-F271 PolarHBondContact O-N 2.61Å
268	R	88.7	Confident	91.4	Very high	15 Å²	15	58.5 Å²	58.5	6%	0.057	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-39.6	175.4	-66	170.7	81.6	172.1	21.3	112.1	S257 I259 K260 K261 D263 C264 A266 M272	S257-R268 PolarHBondContact O-NH2 3.01Å; I259-R268 PolarHBondContact O-NE 3.34Å; I259-R268 PolarHBondContact O-NH2 3.41Å; K260-R268 HydrophobicContact CB-CG 3.99Å; K260-R268 WeakPolarHBondContact O-CD 3.29Å; K260-R268 WeakPolarHBondContact O-CG 3.25Å; K260-R268 PolarHBondContact O-NE 3.15Å; K261-R268 VanDerWaalsContact CA-NH2 3.34Å; D263-R268 HydrophobicContact CB-CG 3.87Å; D263-R268 WeakPolarHBondContact O-CD 3.47Å; C264-R268 WeakPolarHBondContact O-CG 3.15Å; C264-R268 PolarHBondContact O-N 3.22Å; C264-R268 VanDerWaalsContact O-N 3.1Å; A266-R268 PolarHBondContact O-N 3.03Å; R268-M272 VanDerWaalsContact O-CG 3.3Å; R268-M272 WeakPolarHBondContact O-CG 3.45Å; R268-M272 PolarHBondContact O-N 3.13Å; R268-M272 VanDerWaalsContact O-N 3.11Å
269	F	86.5	Confident	91.7	Very high	34 Å²	34	57.3 Å²	57.3	15%	0.149	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-45.5	177	179.1	-100.4	0	0	0	110.8	L265 A266 D267 F271 M272 I273 F287 K317	L265-F269 PolarHBondContact O-N 2.85Å; A266-F269 WeakPolarHBondContact O-CA 3.44Å; A266-F269 WeakPolarHBondContact O-CB 3.4Å; A266-F269 PolarHBondContact O-N 2.93Å; D267-F269 VanDerWaalsContact C-N 3.34Å; F269-F271 VanDerWaalsContact C-N 3.29Å; F269-F271 PolarHBondContact O-N 2.91Å; F269-M272 PolarHBondContact O-N 2.81Å; F269-M272 VanDerWaalsContact O-N 3.08Å; F269-I273 HydrophobicContact CD1-CG1 4.09Å; F269-I273 HydrophobicContact CE1-CD1 4.2Å; F269-I273 HydrophobicContact CE1-CG1 3.62Å; F269-I273 HydrophobicContact CE2-CD1 4.18Å; F269-I273 HydrophobicContact CE2-CG1 4.09Å; F269-I273 HydrophobicContact CZ-CD1 3.73Å; F269-I273 HydrophobicContact CZ-CG1 3.62Å; F269-I273 WeakPolarHBondContact O-CG1 3.39Å; F269-I273 PolarHBondContact O-N 2.8Å; F269-F287 HydrophobicContact CE2-CD2 4.43Å; F269-F287 HydrophobicContact CE2-CE2 4.12Å; F269-F287 AromaticContact CZ-CD2 3.82Å; F269-F287 HydrophobicContact CZ-CD2 3.82Å; F269-F287 AromaticContact CZ-CE2 3.83Å; F269-F287 HydrophobicContact CZ-CE2 3.83Å; F269-F287 HydrophobicContact CZ-CG 4.36Å; F269-F287 HydrophobicContact CZ-CZ 4.35Å; F269-K317 HydrophobicContact CD2-CD 3.62Å; F269-K317 HydrophobicContact CD2-CG 4.09Å; F269-K317 HydrophobicContact CE2-CD 3.66Å; F269-K317 VanDerWaalsContact CE2-CE 3.47Å; F269-K317 HydrophobicContact CE2-CG 3.7Å; F269-K317 HydrophobicContact CG-CD 4.3Å; F269-K317 HydrophobicContact CZ-CD 4.36Å; F269-K317 HydrophobicContact CZ-CG 4.45Å
270	D	90.2	Very high	92	Very high	99 Å²	99	57.2 Å²	57.2	53%	0.529	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-41.6	177.1	-69.5	-11.5	0	0	0	111.2	A266 D267 M272 I273 H274	A266-D270 PolarHBondContact O-N 3.26Å; D267-D270 PolarHBondContact O-N 3.08Å; D270-M272 PolarHBondContact O-N 3.13Å; D270-I273 PolarHBondContact O-N 2.76Å; D270-H274 VanDerWaalsContact O-CB 3.3Å; D270-H274 WeakPolarHBondContact O-CB 3.35Å; D270-H274 PolarHBondContact O-N 3.33Å
271	F	94.3	Very high	92.4	Very high	48 Å²	48	53.7 Å²	53.7	21%	0.211	28%	0.281	C	S	.	.	H	α-helix	trans	-57.3	-49	171.9	175.6	-96.1	0	0	0	111.8	I209 I213 I259 K260 D267 F269 H274 M275	I209-F271 HydrophobicContact CG2-CE1 3.96Å; I209-F271 HydrophobicContact CG2-CZ 4.48Å; I213-F271 HydrophobicContact CD1-CE1 3.34Å; I213-F271 HydrophobicContact CD1-CZ 3.32Å; I213-F271 HydrophobicContact CG1-CZ 4.3Å; I259-F271 HydrophobicContact CG2-CD1 4.22Å; I259-F271 HydrophobicContact CG2-CE1 4.1Å; K260-F271 HydrophobicContact CG-CD1 3.95Å; K260-F271 HydrophobicContact CG-CE1 4.22Å; K260-F271 HydrophobicContact CG-CG 4.2Å; D267-F271 WeakPolarHBondContact O-CB 3.35Å; D267-F271 PolarHBondContact O-N 2.61Å; F269-F271 VanDerWaalsContact C-N 3.29Å; F269-F271 PolarHBondContact O-N 2.91Å; F271-H274 PolarHBondContact O-N 3.2Å; F271-M275 HydrophobicContact CD1-CG 4.33Å; F271-M275 HydrophobicContact CE1-CG 3.77Å; F271-M275 HydrophobicContact CE2-CG 4.07Å; F271-M275 HydrophobicContact CE2-SD 4.18Å; F271-M275 HydrophobicContact CZ-CG 3.61Å; F271-M275 HydrophobicContact CZ-SD 3.94Å; F271-M275 WeakPolarHBondContact O-CG 3.22Å; F271-M275 PolarHBondContact O-N 2.87Å
272	M	93.3	Very high	92.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-63.5	-45.4	179.5	-72.7	-59.5	-69	0	0	111.9	S206 I209 I259 R268 F269 D270 H274 M275 Y276 L318	S206-M272 WeakPolarHBondContact OG-CE 3.41Å; I209-M272 HydrophobicContact CD1-CE 3.97Å; I209-M272 HydrophobicContact CD1-SD 4.42Å; I209-M272 HydrophobicContact CG2-SD 4.12Å; I259-M272 HydrophobicContact CD1-CE 4.16Å; I259-M272 HydrophobicContact CD1-SD 3.9Å; I259-M272 HydrophobicContact CG2-SD 3.99Å; R268-M272 VanDerWaalsContact O-CG 3.3Å; R268-M272 WeakPolarHBondContact O-CG 3.45Å; R268-M272 PolarHBondContact O-N 3.13Å; R268-M272 VanDerWaalsContact O-N 3.11Å; F269-M272 PolarHBondContact O-N 2.81Å; F269-M272 VanDerWaalsContact O-N 3.08Å; D270-M272 PolarHBondContact O-N 3.13Å; M272-H274 VanDerWaalsContact C-N 3.29Å; M272-H274 PolarHBondContact O-N 2.78Å; M272-M275 PolarHBondContact O-N 3Å; M272-Y276 HydrophobicContact CE-CE2 3.72Å; M272-Y276 WeakPolarHBondContact O-CD2 3.2Å; M272-Y276 PolarHBondContact O-N 3.45Å; M272-L318 HydrophobicContact CB-CD2 3.83Å; M272-L318 HydrophobicContact CE-CD1 3.8Å; M272-L318 HydrophobicContact CE-CD2 4.41Å; M272-L318 HydrophobicContact CG-CD2 4.26Å
273	I	93.8	Very high	92.9	Very high	28 Å²	28	48 Å²	48	14%	0.144	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-44.2	176	-69.4	-68.1	0	0	0	110.8	F269 D270 M275 Y276 Q277 I321	F269-I273 HydrophobicContact CD1-CG1 4.09Å; F269-I273 HydrophobicContact CE1-CD1 4.2Å; F269-I273 HydrophobicContact CE1-CG1 3.62Å; F269-I273 HydrophobicContact CE2-CD1 4.18Å; F269-I273 HydrophobicContact CE2-CG1 4.09Å; F269-I273 HydrophobicContact CZ-CD1 3.73Å; F269-I273 HydrophobicContact CZ-CG1 3.62Å; F269-I273 WeakPolarHBondContact O-CG1 3.39Å; F269-I273 PolarHBondContact O-N 2.8Å; D270-I273 PolarHBondContact O-N 2.76Å; I273-M275 VanDerWaalsContact C-N 3.34Å; I273-M275 PolarHBondContact O-N 3.35Å; I273-Y276 PolarHBondContact O-N 3.43Å; I273-Y276 VanDerWaalsContact O-N 3.15Å; I273-Q277 HydrophobicContact CG2-CG 4.44Å; I273-Q277 WeakPolarHBondContact O-CG 3.25Å; I273-Q277 PolarHBondContact O-N 2.87Å; I273-I321 HydrophobicContact CD1-CD1 3.62Å; I273-I321 HydrophobicContact CD1-CG1 3.73Å
274	H	96.1	Very high	93.3	Very high	81 Å²	81	48.7 Å²	48.7	38%	0.375	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-41.6	177.7	-173.8	60.9	0	0	0	112.2	D270 F271 M272 Y276 Q277 K278	D270-H274 VanDerWaalsContact O-CB 3.3Å; D270-H274 WeakPolarHBondContact O-CB 3.35Å; D270-H274 PolarHBondContact O-N 3.33Å; F271-H274 PolarHBondContact O-N 3.2Å; M272-H274 VanDerWaalsContact C-N 3.29Å; M272-H274 PolarHBondContact O-N 2.78Å; H274-Y276 VanDerWaalsContact C-N 3.33Å; H274-Y276 PolarHBondContact O-N 3.26Å; H274-Q277 WeakPolarHBondContact O-CB 3.45Å; H274-Q277 PolarHBondContact O-N 3.3Å; H274-K278 WeakPolarHBondContact NE2-CE 3.21Å; H274-K278 WeakPolarHBondContact O-CG 3.26Å; H274-K278 PolarHBondContact O-N 2.87Å
275	M	97.8	Very high	93.7	Very high	14 Å²	14	46.6 Å²	46.6	7%	0.069	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-38	174.7	-68.3	-57.9	-67	0	0	112.3	I209 F271 M272 I273 K278 L279 V348 V349	I209-M275 HydrophobicContact CD1-CB 3.53Å; I209-M275 HydrophobicContact CD1-CG 4.29Å; I209-M275 HydrophobicContact CG1-CB 4.07Å; I209-M275 HydrophobicContact CG1-CE 4.14Å; I209-M275 HydrophobicContact CG1-CG 4.45Å; I209-M275 HydrophobicContact CG2-CE 4.47Å; I209-M275 HydrophobicContact CG2-CG 4.22Å; F271-M275 HydrophobicContact CD1-CG 4.33Å; F271-M275 HydrophobicContact CE1-CG 3.77Å; F271-M275 HydrophobicContact CE2-CG 4.07Å; F271-M275 HydrophobicContact CE2-SD 4.18Å; F271-M275 HydrophobicContact CZ-CG 3.61Å; F271-M275 HydrophobicContact CZ-SD 3.94Å; F271-M275 WeakPolarHBondContact O-CG 3.22Å; F271-M275 PolarHBondContact O-N 2.87Å; M272-M275 PolarHBondContact O-N 3Å; I273-M275 VanDerWaalsContact C-N 3.34Å; I273-M275 PolarHBondContact O-N 3.35Å; M275-K278 PolarHBondContact O-N 3.07Å; M275-K278 HydrophobicContact SD-CD 4.34Å; M275-L279 WeakPolarHBondContact O-CG 3.25Å; M275-L279 PolarHBondContact O-N 3.4Å; M275-V348 HydrophobicContact CE-CG1 3.98Å; M275-V348 WeakPolarHBondContact CE-O 3.33Å; M275-V349 HydrophobicContact CE-CG1 4.44Å
276	Y	97.4	Very high	94.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-39.6	176.3	-81.5	-127.5	0	0	0	111.2	L198 S202 L205 S206 I209 M272 I273 H274 K278 L279 A280 I321 M331	L198-Y276 HydrophobicContact CD1-CD1 3.56Å; L198-Y276 HydrophobicContact CD1-CE1 3.46Å; L198-Y276 VanDerWaalsContact CD1-CE1 3.46Å; S202-Y276 WeakPolarHBondContact CA-OH 3.46Å; S202-Y276 VanDerWaalsContact CB-OH 3.27Å; S202-Y276 WeakPolarHBondContact CB-OH 3.36Å; S202-Y276 PolarHBondContact O-OH 3.2Å; L205-Y276 HydrophobicContact CB-CE1 4.31Å; L205-Y276 HydrophobicContact CB-CE2 4.34Å; L205-Y276 HydrophobicContact CD1-CD1 4.08Å; L205-Y276 HydrophobicContact CD1-CE1 3.81Å; S206-Y276 PolarHBondContact OG-OH 3.25Å; I209-Y276 HydrophobicContact CD1-CD2 3.97Å; I209-Y276 HydrophobicContact CD1-CE2 3.77Å; M272-Y276 HydrophobicContact CE-CE2 3.72Å; M272-Y276 WeakPolarHBondContact O-CD2 3.2Å; M272-Y276 PolarHBondContact O-N 3.45Å; I273-Y276 PolarHBondContact O-N 3.43Å; I273-Y276 VanDerWaalsContact O-N 3.15Å; H274-Y276 VanDerWaalsContact C-N 3.33Å; H274-Y276 PolarHBondContact O-N 3.26Å; Y276-K278 VanDerWaalsContact C-N 3.33Å; Y276-K278 PolarHBondContact O-N 3.47Å; Y276-L279 PolarHBondContact O-N 3.29Å; Y276-A280 WeakPolarHBondContact O-CB 3.41Å; Y276-A280 PolarHBondContact O-N 2.72Å; Y276-I321 HydrophobicContact CD1-CD1 3.93Å; Y276-I321 HydrophobicContact CD1-CG2 4.26Å; Y276-I321 HydrophobicContact CE1-CD1 3.91Å; Y276-I321 HydrophobicContact CG-CD1 4.35Å; Y276-M331 HydrophobicContact CD1-CE 4.3Å
277	Q	98	Very high	94.4	Very high	62 Å²	62	41.4 Å²	41.4	29%	0.29	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-44.5	172.5	-71.4	170.8	-19.7	0	0	111.1	I273 H274 A280 G281 F282 V285	I273-Q277 HydrophobicContact CG2-CG 4.44Å; I273-Q277 WeakPolarHBondContact O-CG 3.25Å; I273-Q277 PolarHBondContact O-N 2.87Å; H274-Q277 WeakPolarHBondContact O-CB 3.45Å; H274-Q277 PolarHBondContact O-N 3.3Å; Q277-A280 CarbonylContact O-C 3.54Å; Q277-A280 PolarHBondContact O-N 2.91Å; Q277-G281 PolarHBondContact O-N 3.3Å; Q277-G281 VanDerWaalsContact O-N 3.08Å; Q277-F282 HydrophobicContact CB-CD1 3.96Å; Q277-F282 HydrophobicContact CB-CE1 4.21Å; Q277-F282 PolarHBondContact O-N 2.96Å; Q277-V285 HydrophobicContact CG-CB 4.08Å; Q277-V285 HydrophobicContact CG-CG1 4.47Å; Q277-V285 HydrophobicContact CG-CG2 4.29Å
278	K	98.5	Very high	93.9	Very high	45 Å²	45	38.7 Å²	38.7	20%	0.196	19%	0.187	C	C	.	.	H	α-helix	trans	-60.5	-46.4	174.8	-71.2	-174.7	177.2	-150.7	0	112.7	H274 M275 Y276 A280 G281 F282 E346 V348	H274-K278 WeakPolarHBondContact NE2-CE 3.21Å; H274-K278 WeakPolarHBondContact O-CG 3.26Å; H274-K278 PolarHBondContact O-N 2.87Å; M275-K278 PolarHBondContact O-N 3.07Å; M275-K278 HydrophobicContact SD-CD 4.34Å; Y276-K278 VanDerWaalsContact C-N 3.33Å; Y276-K278 PolarHBondContact O-N 3.47Å; K278-A280 PolarHBondContact O-N 3.36Å; K278-G281 PolarHBondContact O-N 3.35Å; K278-F282 HydrophobicContact CG-CE2 4.5Å; K278-F282 HydrophobicContact CG-CZ 3.95Å; K278-E346 VanDerWaalsContact CD-OE1 3.28Å; K278-E346 WeakPolarHBondContact CD-OE1 3.47Å; K278-E346 WeakPolarHBondContact CE-OE1 3.4Å; K278-E346 IonicContact NZ-OE1 3.9Å; K278-E346 PolarHBondContact NZ-OE1 3.33Å; K278-V348 HydrophobicContact CB-CB 4.43Å; K278-V348 HydrophobicContact CB-CG1 3.62Å; K278-V348 HydrophobicContact CB-CG2 3.96Å; K278-V348 HydrophobicContact CD-CG1 4.43Å
279	L	98.6	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-34.8	176.6	-72.2	168.3	0	0	0	112.1	L205 I209 M275 Y276 G281 V330 M331 T334 V348	L205-L279 HydrophobicContact CB-CD1 4.05Å; L205-L279 HydrophobicContact CD1-CD1 4.49Å; L205-L279 HydrophobicContact CD2-CD1 4.22Å; L205-L279 HydrophobicContact CG-CD1 4.47Å; I209-L279 HydrophobicContact CD1-CD1 4.27Å; M275-L279 WeakPolarHBondContact O-CG 3.25Å; M275-L279 PolarHBondContact O-N 3.4Å; Y276-L279 PolarHBondContact O-N 3.29Å; L279-G281 VanDerWaalsContact C-N 3.35Å; L279-V330 CarbonylContact O-C 3.48Å; L279-M331 HydrophobicContact CB-CB 4.42Å; L279-M331 HydrophobicContact CB-CG 4.01Å; L279-M331 WeakPolarHBondContact O-CA 3.29Å; L279-M331 PolarHBondContact O-N 2.92Å; L279-T334 HydrophobicContact CD2-CG2 3.73Å; L279-T334 PolarHBondContact O-OG1 3.32Å; L279-V348 HydrophobicContact CD2-CB 4.17Å; L279-V348 HydrophobicContact CD2-CG1 3.76Å; L279-V348 HydrophobicContact CG-CG1 3.84Å
280	A	98.3	Very high	92	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	2.6	177	0	0	0	0	0	114.5	Y276 Q277 K278 F282 E283 V285 M331	Y276-A280 WeakPolarHBondContact O-CB 3.41Å; Y276-A280 PolarHBondContact O-N 2.72Å; Q277-A280 CarbonylContact O-C 3.54Å; Q277-A280 PolarHBondContact O-N 2.91Å; K278-A280 PolarHBondContact O-N 3.36Å; A280-F282 VanDerWaalsContact C-N 3.27Å; A280-F282 PolarHBondContact O-N 3.35Å; A280-E283 WeakPolarHBondContact O-CB 3.38Å; A280-E283 PolarHBondContact O-N 2.82Å; A280-V285 HydrophobicContact CB-CG2 3.81Å; A280-M331 HydrophobicContact CB-CE 3.7Å; A280-M331 HydrophobicContact CB-CG 3.99Å
281	G	97.8	Very high	90.7	Very high	5 Å²	5	39.2 Å²	39.2	5%	0.052	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	34.6	-175.4	0	0	0	0	0	113.9	Q277 K278 L279 E283 C341	Q277-G281 PolarHBondContact O-N 3.3Å; Q277-G281 VanDerWaalsContact O-N 3.08Å; K278-G281 PolarHBondContact O-N 3.35Å; L279-G281 VanDerWaalsContact C-N 3.35Å; G281-E283 PolarHBondContact O-N 2.94Å; G281-C341 VanDerWaalsContact CA-SG 3.5Å
282	F	97.4	Very high	89.2	Confident	110 Å²	110	39.1 Å²	39.1	48%	0.482	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	19.2	-176	-57.4	-84.3	0	0	0	114.9	Q277 K278 A280	Q277-F282 HydrophobicContact CB-CD1 3.96Å; Q277-F282 HydrophobicContact CB-CE1 4.21Å; Q277-F282 PolarHBondContact O-N 2.96Å; K278-F282 HydrophobicContact CG-CE2 4.5Å; K278-F282 HydrophobicContact CG-CZ 3.95Å; A280-F282 VanDerWaalsContact C-N 3.27Å; A280-F282 PolarHBondContact O-N 3.35Å
283	E	96	Very high	87.4	Confident	48 Å²	48	44.2 Å²	44.2	22%	0.224	22%	0.218	C	C	.	.			trans	-71.1	-177.1	164.6	-65.1	-167.9	162.4	0	0	111.3	R186 A280 G281 V285 I343	R186-E283 IonicContact CZ-OE1 2.72Å; R186-E283 IonicContact CZ-OE2 3.84Å; R186-E283 IonicContact NH1-OE1 3.73Å; R186-E283 PolarHBondContact NH1-OE1 3.09Å; R186-E283 IonicContact NH1-OE2 2.97Å; R186-E283 PolarHBondContact NH1-OE2 3.41Å; R186-E283 IonicContact NH2-OE1 3.38Å; R186-E283 IonicContact NH2-OE2 3.84Å; R186-E283 PolarHBondContact NH2-OE2 3.3Å; A280-E283 WeakPolarHBondContact O-CB 3.38Å; A280-E283 PolarHBondContact O-N 2.82Å; G281-E283 PolarHBondContact O-N 2.94Å; E283-V285 PolarHBondContact O-N 2.94Å; E283-V285 VanDerWaalsContact O-N 3.08Å; E283-I343 HydrophobicContact CG-CD1 4.17Å
284	F	96.6	Very high	85.6	Confident	89 Å²	89	45.5 Å²	45.5	39%	0.39	22%	0.224	S	C	.	.			trans	-54.9	115.2	-173	177.6	-99	0	0	0	112.9	P195 E322 N324 S327	P195-F284 HydrophobicContact CB-CE1 3.72Å; P195-F284 HydrophobicContact CB-CZ 3.9Å; F284-E322 HydrophobicContact CE1-CB 4.18Å; F284-E322 HydrophobicContact CZ-CB 4.41Å; F284-N324 HydrophobicContact CD1-CB 4.47Å; F284-S327 VanDerWaalsContact O-CB 3.23Å; F284-S327 WeakPolarHBondContact O-CB 3.07Å; F284-S327 PolarHBondContact O-OG 3.2Å
285	V	96.1	Very high	84	Confident	23 Å²	23	42.4 Å²	42.4	14%	0.139	21%	0.21	C	C	.	.			trans	-134.3	106.5	168.2	-179.5	0	0	0	0	107	Q277 A280 E283 I321 E322 M331	Q277-V285 HydrophobicContact CG-CB 4.08Å; Q277-V285 HydrophobicContact CG-CG1 4.47Å; Q277-V285 HydrophobicContact CG-CG2 4.29Å; A280-V285 HydrophobicContact CB-CG2 3.81Å; E283-V285 PolarHBondContact O-N 2.94Å; E283-V285 VanDerWaalsContact O-N 3.08Å; V285-I321 HydrophobicContact CG1-CG2 3.7Å; V285-E322 CarbonylContact C-O 3.56Å; V285-E322 WeakPolarHBondContact CA-O 3.32Å; V285-M331 HydrophobicContact CG2-CE 3.88Å
286	G	91.6	Very high	82.2	Confident	17 Å²	17	44.4 Å²	44.4	18%	0.175	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-174.8	-178.3	0	0	0	0	0	113	E322	G286-E322 PolarHBondContact N-O 3.41Å; G286-E322 PolarHBondContact O-N 3.23Å
287	F	86.3	Confident	80.3	Confident	60 Å²	60	48 Å²	48	26%	0.263	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	127.7	176.7	-175.2	-109	0	0	0	110.6	F269 N289 Y292 K317 I321	F269-F287 HydrophobicContact CE2-CD2 4.43Å; F269-F287 HydrophobicContact CE2-CE2 4.12Å; F269-F287 AromaticContact CZ-CD2 3.82Å; F269-F287 HydrophobicContact CZ-CD2 3.82Å; F269-F287 AromaticContact CZ-CE2 3.83Å; F269-F287 HydrophobicContact CZ-CE2 3.83Å; F269-F287 HydrophobicContact CZ-CG 4.36Å; F269-F287 HydrophobicContact CZ-CZ 4.35Å; F287-N289 WeakPolarHBondContact CD1-OD1 3.47Å; F287-N289 WeakPolarHBondContact CE1-OD1 3.04Å; F287-Y292 HydrophobicContact CZ-CG 4.3Å; F287-K317 HydrophobicContact CE2-CG 3.79Å; F287-K317 WeakPolarHBondContact CE2-O 3.41Å; F287-K317 HydrophobicContact CZ-CD 4.43Å; F287-K317 HydrophobicContact CZ-CG 3.72Å; F287-I321 HydrophobicContact CD2-CG1 4.49Å
288	N	78.3	Confident	78.3	Confident	33 Å²	33	48.5 Å²	48.5	18%	0.176	25%	0.247	C	C	.	.			trans	-101	96.2	-179.4	-165.6	-51.4	0	0	0	111.2	P290 T291 Y292 S320 E322	N288-P290 WeakPolarHBondContact OD1-CD 3.25Å; N288-T291 PolarHBondContact ND2-OG1 3.31Å; N288-T291 PolarHBondContact O-N 3.07Å; N288-T291 PolarHBondContact OD1-N 3.28Å; N288-T291 PolarHBondContact OD1-OG1 3.1Å; N288-Y292 PolarHBondContact O-N 3.48Å; N288-S320 PolarHBondContact N-O 2.58Å; N288-E322 HydrophobicContact CB-CG 3.83Å; N288-E322 WeakPolarHBondContact CB-OE1 3.29Å; N288-E322 PolarHBondContact ND2-OE1 3.22Å
289	N	69.2	Low	76.4	Confident	91 Å²	91	49.2 Å²	49.2	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-54.6	-51.2	176.2	-81.4	1	0	0	0	112.7	F287 T291 Y292 E293	F287-N289 WeakPolarHBondContact CD1-OD1 3.47Å; F287-N289 WeakPolarHBondContact CE1-OD1 3.04Å; N289-T291 PolarHBondContact O-N 3.32Å; N289-Y292 WeakPolarHBondContact O-CB 3.32Å; N289-Y292 PolarHBondContact O-N 3.15Å; N289-Y292 VanDerWaalsContact O-N 3.15Å; N289-E293 WeakPolarHBondContact O-CG 3.45Å; N289-E293 PolarHBondContact O-N 3.26Å
290	P	66.7	Low	74.3	Confident	66 Å²	66	55.2 Å²	55.2	43%	0.429	27%	0.274	S	S	.	.	H	α-helix	trans	-55.7	-45.6	-178.5	-28.2	33	0	0	0	113.8	Q166 N288 Y292 E293 E294	Q166-P290 PolarHBondContact NE2-O 2.94Å; N288-P290 WeakPolarHBondContact OD1-CD 3.25Å; P290-Y292 VanDerWaalsContact C-N 3.27Å; P290-Y292 PolarHBondContact O-N 2.97Å; P290-E293 PolarHBondContact O-N 3.05Å; P290-E294 PolarHBondContact O-N 3.22Å
291	T	61.9	Low	72.3	Confident	1 Å²	1	61 Å²	61	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-40.7	-179.3	-56.5	0	0	0	0	111	I164 N288 N289 M295	I164-T291 HydrophobicContact CG2-CG2 4.28Å; N288-T291 PolarHBondContact ND2-OG1 3.31Å; N288-T291 PolarHBondContact O-N 3.07Å; N288-T291 PolarHBondContact OD1-N 3.28Å; N288-T291 PolarHBondContact OD1-OG1 3.1Å; N289-T291 PolarHBondContact O-N 3.32Å; T291-M295 WeakPolarHBondContact O-CB 3.38Å; T291-M295 VanDerWaalsContact O-CG 3.31Å; T291-M295 WeakPolarHBondContact O-CG 3.39Å; T291-M295 PolarHBondContact O-N 3Å; T291-M295 VanDerWaalsContact O-N 3.14Å
292	Y	64.1	Low	70.1	Confident	47 Å²	47	65.9 Å²	65.9	18%	0.184	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-47.1	173.8	176.4	-105.8	0	0	0	112.5	F287 N288 N289 P290 F296 K317 S320	F287-Y292 HydrophobicContact CZ-CG 4.3Å; N288-Y292 PolarHBondContact O-N 3.48Å; N289-Y292 WeakPolarHBondContact O-CB 3.32Å; N289-Y292 PolarHBondContact O-N 3.15Å; N289-Y292 VanDerWaalsContact O-N 3.15Å; P290-Y292 VanDerWaalsContact C-N 3.27Å; P290-Y292 PolarHBondContact O-N 2.97Å; Y292-F296 WeakPolarHBondContact O-CB 3.29Å; Y292-F296 PolarHBondContact O-N 2.88Å; Y292-K317 HydrophobicContact CD2-CB 3.86Å; Y292-K317 HydrophobicContact CD2-CG 3.92Å; Y292-K317 HydrophobicContact CE2-CB 3.53Å; Y292-K317 HydrophobicContact CE2-CD 4.41Å; Y292-K317 HydrophobicContact CE2-CG 3.76Å; Y292-K317 HydrophobicContact CG-CG 4.48Å; Y292-S320 WeakPolarHBondContact CA-OG 3.47Å; Y292-S320 WeakPolarHBondContact CB-OG 3.43Å; Y292-S320 PolarHBondContact N-OG 2.76Å
293	E	54.4	Low	67.7	Low	108 Å²	108	62.5 Å²	62.5	51%	0.505	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-42.5	-179.5	-74.6	-179.1	-179	0	0	112.4	N289 P290 F296 L297	N289-E293 WeakPolarHBondContact O-CG 3.45Å; N289-E293 PolarHBondContact O-N 3.26Å; P290-E293 PolarHBondContact O-N 3.05Å; E293-F296 WeakPolarHBondContact O-CB 3.43Å; E293-F296 PolarHBondContact O-N 3.13Å; E293-L297 WeakPolarHBondContact O-CB 3.3Å; E293-L297 VanDerWaalsContact O-CG 3.24Å; E293-L297 WeakPolarHBondContact O-CG 3.41Å; E293-L297 PolarHBondContact O-N 3.4Å
294	E	57.5	Low	65.6	Low	56 Å²	56	68.1 Å²	68.1	26%	0.262	36%	0.358	S	S	.	.	H	α-helix	trans	-70.9	-40.5	179.3	-73.8	-175.7	-159.9	0	0	112.1	P165 Q166 P290 F296 L297 S298	P165-E294 WeakPolarHBondContact CB-OE2 3.5Å; P165-E294 WeakPolarHBondContact CD-OE2 3.43Å; P165-E294 WeakPolarHBondContact CG-OE2 3.23Å; Q166-E294 PolarHBondContact NE2-OE1 3Å; Q166-E294 PolarHBondContact NE2-OE2 3.37Å; Q166-E294 PolarHBondContact OE1-OE2 2.8Å; P290-E294 PolarHBondContact O-N 3.22Å; E294-F296 VanDerWaalsContact C-N 3.29Å; E294-F296 PolarHBondContact O-N 3.27Å; E294-L297 PolarHBondContact O-N 3.4Å; E294-S298 WeakPolarHBondContact O-CB 3.39Å; E294-S298 PolarHBondContact O-N 3.42Å
295	M	60.7	Low	63.3	Low	15 Å²	15	73.9 Å²	73.9	7%	0.074	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-44.3	169	-79.2	-175.1	162.3	0	0	111.2	I164 T291 E299 H316	I164-M295 HydrophobicContact CD1-CE 3.16Å; I164-M295 HydrophobicContact CG1-CE 3.66Å; I164-M295 HydrophobicContact CG1-CG 4.32Å; I164-M295 HydrophobicContact CG2-CE 4.39Å; I164-M295 HydrophobicContact CG2-CG 4.45Å; T291-M295 WeakPolarHBondContact O-CB 3.38Å; T291-M295 VanDerWaalsContact O-CG 3.31Å; T291-M295 WeakPolarHBondContact O-CG 3.39Å; T291-M295 PolarHBondContact O-N 3Å; T291-M295 VanDerWaalsContact O-N 3.14Å; M295-E299 WeakPolarHBondContact O-CB 3.48Å; M295-E299 VanDerWaalsContact O-CG 3.26Å; M295-E299 WeakPolarHBondContact O-CG 3.24Å; M295-E299 PolarHBondContact O-N 3.32Å; M295-E299 VanDerWaalsContact O-N 3.16Å; M295-H316 HydrophobicContact SD-CB 4.33Å; M295-H316 PolarHBondContact SD-ND1 3.3Å
296	F	60.6	Low	61.3	Low	57 Å²	57	79.4 Å²	79.4	25%	0.25	41%	0.406	C	S	.	.	H	α-helix	trans	-61.7	-47.5	179	167.9	-109.5	0	0	0	112	Y292 E293 E294 E299 R300 M313	Y292-F296 WeakPolarHBondContact O-CB 3.29Å; Y292-F296 PolarHBondContact O-N 2.88Å; E293-F296 WeakPolarHBondContact O-CB 3.43Å; E293-F296 PolarHBondContact O-N 3.13Å; E294-F296 VanDerWaalsContact C-N 3.29Å; E294-F296 PolarHBondContact O-N 3.27Å; F296-E299 PolarHBondContact O-N 2.84Å; F296-R300 HydrophobicContact CE2-CB 4.4Å; F296-R300 WeakPolarHBondContact O-CB 3.48Å; F296-R300 PolarHBondContact O-N 2.95Å; F296-M313 HydrophobicContact CD2-CE 3.3Å; F296-M313 HydrophobicContact CD2-CG 3.93Å; F296-M313 HydrophobicContact CD2-SD 3.7Å; F296-M313 HydrophobicContact CE2-CE 3.15Å; F296-M313 HydrophobicContact CE2-CG 4.33Å; F296-M313 HydrophobicContact CE2-SD 3.48Å; F296-M313 WeakPolarHBondContact CE2-SD 2.95Å; F296-M313 HydrophobicContact CG-CE 4.38Å; F296-M313 HydrophobicContact CZ-CE 4.13Å
297	L	56.9	Low	59.5	Low	76 Å²	76	86.6 Å²	86.6	40%	0.398	43%	0.433	S	S	.	.	H	α-helix	trans	-64.7	-45.7	179.6	-71.3	171	0	0	0	111.3	E293 E294 E299 D301	E293-L297 WeakPolarHBondContact O-CB 3.3Å; E293-L297 VanDerWaalsContact O-CG 3.24Å; E293-L297 WeakPolarHBondContact O-CG 3.41Å; E293-L297 PolarHBondContact O-N 3.4Å; E294-L297 PolarHBondContact O-N 3.4Å; L297-E299 PolarHBondContact O-N 3.07Å; L297-D301 VanDerWaalsContact O-CG 3.29Å; L297-D301 PolarHBondContact O-N 3.03Å
298	S	57.3	Low	58	Low	72 Å²	72	87 Å²	87	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-58.7	-34.7	179.1	-175.3	0	0	0	0	113	E294 T302	E294-S298 WeakPolarHBondContact O-CB 3.39Å; E294-S298 PolarHBondContact O-N 3.42Å; S298-T302 PolarHBondContact O-OG1 3.42Å
299	E	57.4	Low	57	Low	60 Å²	60	86.6 Å²	86.6	28%	0.28	45%	0.445	S	S	.	.	H	α-helix	trans	-93.5	-32.6	-174	-69.9	-81.3	-168.3	0	0	112.7	M295 F296 L297 D301 T302 A303 Y312	M295-E299 WeakPolarHBondContact O-CB 3.48Å; M295-E299 VanDerWaalsContact O-CG 3.26Å; M295-E299 WeakPolarHBondContact O-CG 3.24Å; M295-E299 PolarHBondContact O-N 3.32Å; M295-E299 VanDerWaalsContact O-N 3.16Å; F296-E299 PolarHBondContact O-N 2.84Å; L297-E299 PolarHBondContact O-N 3.07Å; E299-D301 PolarHBondContact O-N 2.82Å; E299-T302 PolarHBondContact O-N 2.9Å; E299-T302 VanDerWaalsContact O-N 3.16Å; E299-T302 PolarHBondContact O-OG1 2.97Å; E299-T302 VanDerWaalsContact O-OG1 3.08Å; E299-A303 WeakPolarHBondContact O-CB 3.43Å; E299-A303 PolarHBondContact O-N 2.91Å; E299-A303 VanDerWaalsContact O-N 3.1Å; E299-Y312 HydrophobicContact CB-CE1 4.06Å; E299-Y312 VanDerWaalsContact CD-CE1 3.5Å; E299-Y312 VanDerWaalsContact CD-OH 3.27Å; E299-Y312 HydrophobicContact CG-CE1 3.68Å; E299-Y312 PolarHBondContact OE1-OH 2.72Å
300	R	55.7	Low	56.4	Low	125 Å²	125	84.7 Å²	84.7	47%	0.472	44%	0.442	S	S	.	.	H	α-helix	trans	-60.1	-35.6	173.1	-174.4	-169.9	68.3	169.1	-1.4	111.3	F296 T302 L309	F296-R300 HydrophobicContact CE2-CB 4.4Å; F296-R300 WeakPolarHBondContact O-CB 3.48Å; F296-R300 PolarHBondContact O-N 2.95Å; R300-T302 PolarHBondContact O-N 3.38Å; R300-L309 HydrophobicContact CG-CD2 4.46Å
301	D	56.7	Low	56.2	Low	122 Å²	122	86.5 Å²	86.5	65%	0.652	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.5	-179.4	-67.3	-8.2	0	0	0	112.7	L297 E299	L297-D301 VanDerWaalsContact O-CG 3.29Å; L297-D301 PolarHBondContact O-N 3.03Å; E299-D301 PolarHBondContact O-N 2.82Å
302	T	50.9	Low	56.1	Low	107 Å²	107	89 Å²	89	66%	0.656	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	-10	-178.4	49.8	0	0	0	0	115.3	S298 E299 R300	S298-T302 PolarHBondContact O-OG1 3.42Å; E299-T302 PolarHBondContact O-N 2.9Å; E299-T302 VanDerWaalsContact O-N 3.16Å; E299-T302 PolarHBondContact O-OG1 2.97Å; E299-T302 VanDerWaalsContact O-OG1 3.08Å; R300-T302 PolarHBondContact O-N 3.38Å
303	A	47.2	Very low	56	Low	40 Å²	40	88.7 Å²	88.7	33%	0.331	45%	0.452	S	S	.	.			trans	-94.2	119.5	-169.9	0	0	0	0	0	114.4	E299 L309	E299-A303 WeakPolarHBondContact O-CB 3.43Å; E299-A303 PolarHBondContact O-N 2.91Å; E299-A303 VanDerWaalsContact O-N 3.1Å; A303-L309 HydrophobicContact CB-CB 4.48Å; A303-L309 HydrophobicContact CB-CD1 3.8Å; A303-L309 HydrophobicContact CB-CD2 4.25Å; A303-L309 HydrophobicContact CB-CG 4.4Å
304	D	52.3	Low	56.4	Low	165 Å²	165	85 Å²	85	88%	0.882	43%	0.433	S	S	*	.			trans	-89.7	5.2	-176.4	-122.7	-8	0	0	0	115.3
305	R	47.2	Very low	56.6	Low	210 Å²	210	82.6 Å²	82.6	79%	0.792	42%	0.422	S	S	*	.			trans	-148.5	121	179.2	-69.6	-172.2	178.7	169.2	-0.5	114.9	F307 L309	R305-F307 PolarHBondContact O-N 3Å; R305-L309 PolarHBondContact O-N 2.87Å
306	N	55.1	Low	56.8	Low	139 Å²	139	82.9 Å²	82.9	74%	0.743	42%	0.423	S	S	*	.	H	α-helix	trans	-60	-33.2	-167.3	-69	-20.4	0	0	0	117.9	A310	N306-A310 PolarHBondContact O-N 3.31Å
307	F	52.9	Low	57.1	Low	168 Å²	168	83 Å²	83	74%	0.737	42%	0.423	S	S	*	.	H	α-helix	trans	-85.6	-38.4	-175.1	-75.4	-74.1	0	0	0	113.8	R305 L309 A310 Y311	R305-F307 PolarHBondContact O-N 3Å; F307-L309 PolarHBondContact O-N 3.32Å; F307-A310 PolarHBondContact O-N 3.39Å; F307-Y311 VanDerWaalsContact O-CD2 3.23Å; F307-Y311 WeakPolarHBondContact O-CD2 3.42Å; F307-Y311 PolarHBondContact O-N 3.44Å
308	A	55.9	Low	57.9	Low	70 Å²	70	79.7 Å²	79.7	58%	0.579	41%	0.406	S	S	*	.	H	α-helix	trans	-61.4	-39.4	174.2	0	0	0	0	0	110	A310 Y311 Y312	A308-A310 PolarHBondContact O-N 3.36Å; A308-Y311 PolarHBondContact O-N 2.97Å; A308-Y312 WeakPolarHBondContact O-CB 3.32Å; A308-Y312 PolarHBondContact O-N 2.95Å
309	L	56.2	Low	58.9	Low	24 Å²	24	76.3 Å²	76.3	13%	0.126	38%	0.382	C	S	.	.	H	α-helix	trans	-59.7	-44.2	174.6	-172.1	65.2	0	0	0	112.2	R300 A303 R305 F307 Y311 Y312 M313	R300-L309 HydrophobicContact CG-CD2 4.46Å; A303-L309 HydrophobicContact CB-CB 4.48Å; A303-L309 HydrophobicContact CB-CD1 3.8Å; A303-L309 HydrophobicContact CB-CD2 4.25Å; A303-L309 HydrophobicContact CB-CG 4.4Å; R305-L309 PolarHBondContact O-N 2.87Å; F307-L309 PolarHBondContact O-N 3.32Å; L309-Y311 PolarHBondContact O-N 3.44Å; L309-Y312 WeakPolarHBondContact O-CB 3.12Å; L309-Y312 PolarHBondContact O-N 3.29Å; L309-M313 HydrophobicContact CD1-CG 4.28Å; L309-M313 HydrophobicContact CD2-SD 4.37Å; L309-M313 HydrophobicContact CG-CG 4.16Å; L309-M313 HydrophobicContact CG-SD 3.86Å; L309-M313 VanDerWaalsContact O-CB 3.26Å; L309-M313 WeakPolarHBondContact O-CB 3.38Å; L309-M313 WeakPolarHBondContact O-CG 3.49Å; L309-M313 PolarHBondContact O-N 3.39Å
310	A	57.6	Low	60.2	Low	51 Å²	51	73.5 Å²	73.5	42%	0.421	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-40.9	179.4	0	0	0	0	0	113.2	N306 F307 A308 R314	N306-A310 PolarHBondContact O-N 3.31Å; F307-A310 PolarHBondContact O-N 3.39Å; A308-A310 PolarHBondContact O-N 3.36Å; A310-R314 PolarHBondContact O-N 3.48Å; A310-R314 VanDerWaalsContact O-N 3.14Å
311	Y	61.4	Low	61.8	Low	103 Å²	103	67.5 Å²	67.5	40%	0.404	35%	0.347	S	S	.	.	H	α-helix	trans	-73.4	-38.3	175.3	-66.2	-64.9	0	0	0	112.4	S257 F307 A308 L309 R314 E315	S257-Y311 VanDerWaalsContact CB-CD1 3.4Å; F307-Y311 VanDerWaalsContact O-CD2 3.23Å; F307-Y311 WeakPolarHBondContact O-CD2 3.42Å; F307-Y311 PolarHBondContact O-N 3.44Å; A308-Y311 PolarHBondContact O-N 2.97Å; L309-Y311 PolarHBondContact O-N 3.44Å; Y311-R314 WeakPolarHBondContact O-CB 3.41Å; Y311-R314 PolarHBondContact O-N 2.86Å; Y311-E315 PolarHBondContact O-N 2.99Å
312	Y	60.3	Low	63.6	Low	53 Å²	53	63.2 Å²	63.2	21%	0.208	32%	0.323	C	S	.	.	H	α-helix	trans	-56.5	-51.9	171.5	-172.2	-94.2	0	0	0	110.6	I253 E299 A308 L309 R314 E315 H316	I253-Y312 HydrophobicContact CD1-CD2 3.45Å; I253-Y312 VanDerWaalsContact CD1-CD2 3.45Å; I253-Y312 HydrophobicContact CD1-CE2 4.19Å; I253-Y312 HydrophobicContact CD1-CG 4.23Å; E299-Y312 HydrophobicContact CB-CE1 4.06Å; E299-Y312 VanDerWaalsContact CD-CE1 3.5Å; E299-Y312 VanDerWaalsContact CD-OH 3.27Å; E299-Y312 HydrophobicContact CG-CE1 3.68Å; E299-Y312 PolarHBondContact OE1-OH 2.72Å; A308-Y312 WeakPolarHBondContact O-CB 3.32Å; A308-Y312 PolarHBondContact O-N 2.95Å; L309-Y312 WeakPolarHBondContact O-CB 3.12Å; L309-Y312 PolarHBondContact O-N 3.29Å; Y312-R314 PolarHBondContact O-N 3.47Å; Y312-E315 PolarHBondContact O-N 3.33Å; Y312-E315 VanDerWaalsContact O-N 3.09Å; Y312-H316 AromaticContact CD1-CD2 3.62Å; Y312-H316 AromaticContact CD1-NE2 3.92Å; Y312-H316 AromaticContact CE1-CD2 3.43Å; Y312-H316 VanDerWaalsContact CE1-CD2 3.43Å; Y312-H316 WeakPolarHBondContact CE1-CD2 3.31Å; Y312-H316 AromaticContact CE1-NE2 3.26Å; Y312-H316 VanDerWaalsContact CE1-NE2 3.26Å; Y312-H316 WeakPolarHBondContact CE1-NE2 3.49Å; Y312-H316 AromaticContact CE2-NE2 3.61Å; Y312-H316 AromaticContact CZ-CD2 3.7Å; Y312-H316 AromaticContact CZ-CE1 3.91Å; Y312-H316 AromaticContact CZ-NE2 3.07Å; Y312-H316 PolarHBondContact O-CD2 3.46Å; Y312-H316 VanDerWaalsContact O-CD2 3.26Å; Y312-H316 PolarHBondContact O-N 3.42Å; Y312-H316 PolarHBondContact OH-NE2 3.09Å
313	M	62.5	Low	65.8	Low	42 Å²	42	58.1 Å²	58.1	21%	0.207	29%	0.291	C	S	.	.	H	α-helix	trans	-55.1	-38.6	175.1	-72.8	168.8	64.6	0	0	112.6	F296 L309 H316 K317	F296-M313 HydrophobicContact CD2-CE 3.3Å; F296-M313 HydrophobicContact CD2-CG 3.93Å; F296-M313 HydrophobicContact CD2-SD 3.7Å; F296-M313 HydrophobicContact CE2-CE 3.15Å; F296-M313 HydrophobicContact CE2-CG 4.33Å; F296-M313 HydrophobicContact CE2-SD 3.48Å; F296-M313 WeakPolarHBondContact CE2-SD 2.95Å; F296-M313 HydrophobicContact CG-CE 4.38Å; F296-M313 HydrophobicContact CZ-CE 4.13Å; L309-M313 HydrophobicContact CD1-CG 4.28Å; L309-M313 HydrophobicContact CD2-SD 4.37Å; L309-M313 HydrophobicContact CG-CG 4.16Å; L309-M313 HydrophobicContact CG-SD 3.86Å; L309-M313 VanDerWaalsContact O-CB 3.26Å; L309-M313 WeakPolarHBondContact O-CB 3.38Å; L309-M313 WeakPolarHBondContact O-CG 3.49Å; L309-M313 PolarHBondContact O-N 3.39Å; M313-H316 PolarHBondContact O-N 3.48Å; M313-K317 WeakPolarHBondContact O-CB 3.39Å; M313-K317 PolarHBondContact O-N 3.32Å
314	R	61.8	Low	68.3	Low	31 Å²	31	57 Å²	57	12%	0.117	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-41.6	178.1	178.7	174.1	157.7	-165.6	5.9	112.6	A256 I259 A310 Y311 Y312 K317 L318	A256-R314 HydrophobicContact CB-CG 4.28Å; A256-R314 WeakPolarHBondContact O-CD 3.48Å; A256-R314 PolarHBondContact O-NE 3.01Å; A256-R314 PolarHBondContact O-NH1 3.37Å; I259-R314 PolarHBondContact O-NH2 3.26Å; I259-R314 VanDerWaalsContact O-NH2 3.12Å; A310-R314 PolarHBondContact O-N 3.48Å; A310-R314 VanDerWaalsContact O-N 3.14Å; Y311-R314 WeakPolarHBondContact O-CB 3.41Å; Y311-R314 PolarHBondContact O-N 2.86Å; Y312-R314 PolarHBondContact O-N 3.47Å; R314-K317 WeakPolarHBondContact O-CB 3.29Å; R314-K317 PolarHBondContact O-N 2.95Å; R314-L318 PolarHBondContact O-N 3.37Å
315	E	62.7	Low	70.5	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-65	-43.8	175.5	-169	-120	153	0	0	111.2	K203 A252 I253 Y311 Y312 K317 L318 C319	K203-E315 WeakPolarHBondContact CE-OE1 3.49Å; K203-E315 IonicContact NZ-OE1 3.66Å; K203-E315 PolarHBondContact NZ-OE1 2.97Å; A252-E315 HydrophobicContact CB-CG 3.68Å; I253-E315 HydrophobicContact CB-CB 4.49Å; I253-E315 HydrophobicContact CG1-CB 3.56Å; I253-E315 HydrophobicContact CG1-CG 3.95Å; I253-E315 WeakPolarHBondContact CG1-OE2 3.31Å; Y311-E315 PolarHBondContact O-N 2.99Å; Y312-E315 PolarHBondContact O-N 3.33Å; Y312-E315 VanDerWaalsContact O-N 3.09Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 2.99Å; E315-L318 PolarHBondContact O-N 3.27Å; E315-L318 VanDerWaalsContact O-N 3.09Å; E315-C319 PolarHBondContact O-N 2.86Å; E315-C319 PolarHBondContact O-SG 3.28Å; E315-C319 VanDerWaalsContact O-SG 3.4Å
316	H	63.5	Low	72.9	Confident	22 Å²	22	41.2 Å²	41.2	10%	0.102	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-30.6	176	-80.5	-93.7	0	0	0	112.8	M295 Y312 M313 L318 C319 S320	M295-H316 HydrophobicContact SD-CB 4.33Å; M295-H316 PolarHBondContact SD-ND1 3.3Å; Y312-H316 AromaticContact CD1-CD2 3.62Å; Y312-H316 AromaticContact CD1-NE2 3.92Å; Y312-H316 AromaticContact CE1-CD2 3.43Å; Y312-H316 VanDerWaalsContact CE1-CD2 3.43Å; Y312-H316 WeakPolarHBondContact CE1-CD2 3.31Å; Y312-H316 AromaticContact CE1-NE2 3.26Å; Y312-H316 VanDerWaalsContact CE1-NE2 3.26Å; Y312-H316 WeakPolarHBondContact CE1-NE2 3.49Å; Y312-H316 AromaticContact CE2-NE2 3.61Å; Y312-H316 AromaticContact CZ-CD2 3.7Å; Y312-H316 AromaticContact CZ-CE1 3.91Å; Y312-H316 AromaticContact CZ-NE2 3.07Å; Y312-H316 PolarHBondContact O-CD2 3.46Å; Y312-H316 VanDerWaalsContact O-CD2 3.26Å; Y312-H316 PolarHBondContact O-N 3.42Å; Y312-H316 PolarHBondContact OH-NE2 3.09Å; M313-H316 PolarHBondContact O-N 3.48Å; H316-L318 VanDerWaalsContact C-N 3.33Å; H316-L318 PolarHBondContact O-N 2.83Å; H316-C319 WeakPolarHBondContact O-CB 3.43Å; H316-C319 PolarHBondContact O-N 3.45Å; H316-C319 VanDerWaalsContact O-N 3.14Å; H316-S320 PolarHBondContact O-N 2.82Å; H316-S320 VanDerWaalsContact O-N 3.16Å; H316-S320 PolarHBondContact O-OG 2.94Å
317	K	67.8	Low	75	Confident	58 Å²	58	34.6 Å²	34.6	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-62.2	-39.6	171.7	-157.6	179.8	178.5	-169.8	0	111.9	F269 F287 Y292 M313 R314 E315 C319 S320	F269-K317 HydrophobicContact CD2-CD 3.62Å; F269-K317 HydrophobicContact CD2-CG 4.09Å; F269-K317 HydrophobicContact CE2-CD 3.66Å; F269-K317 VanDerWaalsContact CE2-CE 3.47Å; F269-K317 HydrophobicContact CE2-CG 3.7Å; F269-K317 HydrophobicContact CG-CD 4.3Å; F269-K317 HydrophobicContact CZ-CD 4.36Å; F269-K317 HydrophobicContact CZ-CG 4.45Å; F287-K317 HydrophobicContact CE2-CG 3.79Å; F287-K317 WeakPolarHBondContact CE2-O 3.41Å; F287-K317 HydrophobicContact CZ-CD 4.43Å; F287-K317 HydrophobicContact CZ-CG 3.72Å; Y292-K317 HydrophobicContact CD2-CB 3.86Å; Y292-K317 HydrophobicContact CD2-CG 3.92Å; Y292-K317 HydrophobicContact CE2-CB 3.53Å; Y292-K317 HydrophobicContact CE2-CD 4.41Å; Y292-K317 HydrophobicContact CE2-CG 3.76Å; Y292-K317 HydrophobicContact CG-CG 4.48Å; M313-K317 WeakPolarHBondContact O-CB 3.39Å; M313-K317 PolarHBondContact O-N 3.32Å; R314-K317 WeakPolarHBondContact O-CB 3.29Å; R314-K317 PolarHBondContact O-N 2.95Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 2.99Å; K317-C319 VanDerWaalsContact C-N 3.32Å; K317-S320 PolarHBondContact O-N 3.23Å
318	L	73.5	Confident	77.2	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.037	14%	0.139	C	C	.	.	H	α-helix	trans	-71.1	-29.3	174.3	-62.1	177.3	0	0	0	112.1	M272 R314 E315 H316 S320 I321	M272-L318 HydrophobicContact CB-CD2 3.83Å; M272-L318 HydrophobicContact CE-CD1 3.8Å; M272-L318 HydrophobicContact CE-CD2 4.41Å; M272-L318 HydrophobicContact CG-CD2 4.26Å; R314-L318 PolarHBondContact O-N 3.37Å; E315-L318 PolarHBondContact O-N 3.27Å; E315-L318 VanDerWaalsContact O-N 3.09Å; H316-L318 VanDerWaalsContact C-N 3.33Å; H316-L318 PolarHBondContact O-N 2.83Å; L318-S320 PolarHBondContact O-N 2.91Å; L318-I321 HydrophobicContact CB-CD1 4.39Å; L318-I321 HydrophobicContact CD2-CD1 3.76Å; L318-I321 WeakPolarHBondContact O-CB 3.4Å; L318-I321 WeakPolarHBondContact O-CG1 3.28Å; L318-I321 PolarHBondContact O-N 3.34Å
319	C	77.8	Confident	79.2	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-24.6	173.2	-68.5	0	0	0	0	113.2	C197 Q199 E315 H316 K317	C197-C319 WeakPolarHBondContact CB-O 3.34Å; Q199-C319 PolarHBondContact N-O 3.24Å; Q199-C319 PolarHBondContact NE2-O 3.47Å; E315-C319 PolarHBondContact O-N 2.86Å; E315-C319 PolarHBondContact O-SG 3.28Å; E315-C319 VanDerWaalsContact O-SG 3.4Å; H316-C319 WeakPolarHBondContact O-CB 3.43Å; H316-C319 PolarHBondContact O-N 3.45Å; H316-C319 VanDerWaalsContact O-N 3.14Å; K317-C319 VanDerWaalsContact C-N 3.32Å
320	S	84.2	Confident	81.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.9	177.2	-57.8	0	0	0	0	114.8	N288 Y292 H316 K317 L318 E322	N288-S320 PolarHBondContact N-O 2.58Å; Y292-S320 WeakPolarHBondContact CA-OG 3.47Å; Y292-S320 WeakPolarHBondContact CB-OG 3.43Å; Y292-S320 PolarHBondContact N-OG 2.76Å; H316-S320 PolarHBondContact O-N 2.82Å; H316-S320 VanDerWaalsContact O-N 3.16Å; H316-S320 PolarHBondContact O-OG 2.94Å; K317-S320 PolarHBondContact O-N 3.23Å; L318-S320 PolarHBondContact O-N 2.91Å; S320-E322 PolarHBondContact O-N 3.44Å
321	I	90.4	Very high	83.2	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.3	169.5	-65.7	172.4	0	0	0	108.6	C197 L198 I273 Y276 V285 F287 L318	C197-I321 CarbonylContact C-O 3.29Å; C197-I321 WeakPolarHBondContact CA-O 3.38Å; L198-I321 HydrophobicContact CD1-CB 4.17Å; L198-I321 HydrophobicContact CD1-CG2 3.82Å; L198-I321 PolarHBondContact N-O 3.3Å; I273-I321 HydrophobicContact CD1-CD1 3.62Å; I273-I321 HydrophobicContact CD1-CG1 3.73Å; Y276-I321 HydrophobicContact CD1-CD1 3.93Å; Y276-I321 HydrophobicContact CD1-CG2 4.26Å; Y276-I321 HydrophobicContact CE1-CD1 3.91Å; Y276-I321 HydrophobicContact CG-CD1 4.35Å; V285-I321 HydrophobicContact CG1-CG2 3.7Å; F287-I321 HydrophobicContact CD2-CG1 4.49Å; L318-I321 HydrophobicContact CB-CD1 4.39Å; L318-I321 HydrophobicContact CD2-CD1 3.76Å; L318-I321 WeakPolarHBondContact O-CB 3.4Å; L318-I321 WeakPolarHBondContact O-CG1 3.28Å; L318-I321 PolarHBondContact O-N 3.34Å
322	E	94.5	Very high	85	Confident	32 Å²	32	14.9 Å²	14.9	15%	0.15	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	140.5	177.9	-69	-175.3	145.8	0	0	111.2	W196 F284 V285 G286 N288 S320	W196-E322 WeakPolarHBondContact O-CA 3.41Å; F284-E322 HydrophobicContact CE1-CB 4.18Å; F284-E322 HydrophobicContact CZ-CB 4.41Å; V285-E322 CarbonylContact C-O 3.56Å; V285-E322 WeakPolarHBondContact CA-O 3.32Å; G286-E322 PolarHBondContact N-O 3.41Å; G286-E322 PolarHBondContact O-N 3.23Å; N288-E322 HydrophobicContact CB-CG 3.83Å; N288-E322 WeakPolarHBondContact CB-OE1 3.29Å; N288-E322 PolarHBondContact ND2-OE1 3.22Å; S320-E322 PolarHBondContact O-N 3.44Å
323	V	97.5	Very high	86.8	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	176.8	170.2	-64.4	0	0	0	0	108.1	P195 W196 L198 S327 A328 M331	P195-V323 CarbonylContact C-O 3.6Å; P195-V323 WeakPolarHBondContact CA-O 3.44Å; W196-V323 HydrophobicContact CD2-CG2 4.17Å; W196-V323 HydrophobicContact CE3-CG2 3.73Å; W196-V323 HydrophobicContact CH2-CG2 3.46Å; W196-V323 VanDerWaalsContact CH2-CG2 3.46Å; W196-V323 HydrophobicContact CZ2-CG2 3.91Å; W196-V323 HydrophobicContact CZ3-CG2 3.35Å; W196-V323 PolarHBondContact N-O 3.09Å; W196-V323 PolarHBondContact O-N 3.46Å; W196-V323 VanDerWaalsContact O-O 3.14Å; L198-V323 HydrophobicContact CD1-CG1 3.83Å; L198-V323 HydrophobicContact CD2-CB 4.34Å; L198-V323 HydrophobicContact CD2-CG1 4Å; L198-V323 HydrophobicContact CD2-CG2 3.41Å; L198-V323 VanDerWaalsContact CD2-CG2 3.41Å; L198-V323 HydrophobicContact CG-CB 4.38Å; L198-V323 HydrophobicContact CG-CG1 3.79Å; L198-V323 HydrophobicContact CG-CG2 3.7Å; V323-S327 WeakPolarHBondContact CB-OG 3.31Å; V323-A328 HydrophobicContact CB-CB 4.48Å; V323-A328 HydrophobicContact CG2-CB 3.96Å; V323-M331 HydrophobicContact CG1-CE 3.63Å; V323-M331 HydrophobicContact CG1-SD 4.34Å
324	N	98.1	Very high	88.6	Confident	15 Å²	15	10.3 Å²	10.3	8%	0.08	5%	0.047	C	C	.	.			trans	-121.1	179.2	164.5	66.1	20.2	0	0	0	109.1	S192 L194 F284 E326 S327 A328	S192-N324 WeakPolarHBondContact O-CB 3.33Å; L194-N324 WeakPolarHBondContact O-CB 3.21Å; F284-N324 HydrophobicContact CD1-CB 4.47Å; N324-E326 PolarHBondContact O-N 2.67Å; N324-E326 WeakPolarHBondContact OD1-CB 3.31Å; N324-E326 PolarHBondContact OD1-N 3.24Å; N324-E326 VanDerWaalsContact OD1-N 3.12Å; N324-S327 PolarHBondContact N-OG 3.19Å; N324-S327 PolarHBondContact O-OG 3.31Å; N324-S327 PolarHBondContact OD1-N 2.65Å; N324-S327 PolarHBondContact OD1-OG 2.99Å; N324-A328 WeakPolarHBondContact O-CB 3.34Å; N324-A328 PolarHBondContact O-N 3.19Å
325	C	98.7	Very high	90.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62	-37.7	-179.7	-59.7	0	0	0	0	110.9	A178 S192 S329 A400	A178-C325 VanDerWaalsContact CB-C 3.48Å; A178-C325 HydrophobicContact CB-CB 3.71Å; A178-C325 WeakPolarHBondContact CB-O 3.23Å; S192-C325 WeakPolarHBondContact O-CB 3.43Å; S192-C325 PolarHBondContact O-N 3.36Å; C325-S329 VanDerWaalsContact O-CB 3.31Å; C325-S329 WeakPolarHBondContact O-CB 3.34Å; C325-S329 PolarHBondContact O-N 2.75Å; C325-S329 PolarHBondContact O-OG 3.34Å; C325-A400 HydrophobicContact CB-CB 4.38Å; C325-A400 WeakPolarHBondContact O-CB 3.11Å
326	E	98.6	Very high	92	Very high	44 Å²	44	8.8 Å²	8.8	21%	0.206	4%	0.041	C	C	.	.	H	α-helix	trans	-60.3	-55.1	-179.4	-63.3	-174.5	164	0	0	111	A178 R186 S188 K193 N324 S329 V330	A178-E326 HydrophobicContact CB-CG 4.38Å; R186-E326 VanDerWaalsContact NH2-C 3.26Å; R186-E326 PolarHBondContact NH2-O 2.88Å; S188-E326 PolarHBondContact OG-OE1 3.3Å; K193-E326 WeakPolarHBondContact CE-OE1 3.36Å; K193-E326 VanDerWaalsContact CE-OE2 3.29Å; K193-E326 WeakPolarHBondContact CE-OE2 3.41Å; N324-E326 PolarHBondContact O-N 2.67Å; N324-E326 WeakPolarHBondContact OD1-CB 3.31Å; N324-E326 PolarHBondContact OD1-N 3.24Å; N324-E326 VanDerWaalsContact OD1-N 3.12Å; E326-S329 PolarHBondContact O-N 3.31Å; E326-S329 PolarHBondContact O-OG 3.22Å; E326-V330 PolarHBondContact O-N 2.67Å
327	S	98.5	Very high	93.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-68.5	-37.1	-179.4	61.6	0	0	0	0	113	F284 V323 N324 S329 V330 M331	F284-S327 VanDerWaalsContact O-CB 3.23Å; F284-S327 WeakPolarHBondContact O-CB 3.07Å; F284-S327 PolarHBondContact O-OG 3.2Å; V323-S327 WeakPolarHBondContact CB-OG 3.31Å; N324-S327 PolarHBondContact N-OG 3.19Å; N324-S327 PolarHBondContact O-OG 3.31Å; N324-S327 PolarHBondContact OD1-N 2.65Å; N324-S327 PolarHBondContact OD1-OG 2.99Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.02Å; S327-V330 WeakPolarHBondContact O-CB 3.46Å; S327-V330 PolarHBondContact O-N 3.4Å; S327-M331 PolarHBondContact O-N 3.34Å; S327-M331 VanDerWaalsContact O-N 3.13Å
328	A	98.7	Very high	95.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-66.4	-32.2	175.9	0	0	0	0	0	112.9	W196 V323 N324 V330 M331 A332 I390 A400	W196-A328 HydrophobicContact CH2-CB 3.63Å; W196-A328 HydrophobicContact CZ2-CB 3.92Å; V323-A328 HydrophobicContact CB-CB 4.48Å; V323-A328 HydrophobicContact CG2-CB 3.96Å; N324-A328 WeakPolarHBondContact O-CB 3.34Å; N324-A328 PolarHBondContact O-N 3.19Å; A328-V330 VanDerWaalsContact C-N 3.28Å; A328-V330 PolarHBondContact O-N 2.95Å; A328-M331 WeakPolarHBondContact O-CB 3.46Å; A328-M331 PolarHBondContact O-N 3.04Å; A328-A332 PolarHBondContact O-N 3.3Å; A328-I390 HydrophobicContact CB-CG2 4.45Å; A328-A400 HydrophobicContact CB-CB 3.5Å; A328-A400 VanDerWaalsContact CB-CB 3.5Å
329	S	98.9	Very high	96.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.4	-34.3	174.7	71.8	0	0	0	0	111.5	C325 E326 S327 A332 A333	C325-S329 VanDerWaalsContact O-CB 3.31Å; C325-S329 WeakPolarHBondContact O-CB 3.34Å; C325-S329 PolarHBondContact O-N 2.75Å; C325-S329 PolarHBondContact O-OG 3.34Å; E326-S329 PolarHBondContact O-N 3.31Å; E326-S329 PolarHBondContact O-OG 3.22Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.02Å; S329-A332 PolarHBondContact O-N 3.5Å; S329-A333 VanDerWaalsContact O-CB 3.29Å; S329-A333 WeakPolarHBondContact O-CB 3.41Å; S329-A333 PolarHBondContact O-N 3.44Å
330	V	98.9	Very high	97.4	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.6	-42	173.1	-176.6	0	0	0	0	110.6	C180 L279 E326 S327 A328 A332 A333 T334 I343	C180-V330 HydrophobicContact CB-CG2 4.41Å; L279-V330 CarbonylContact O-C 3.48Å; E326-V330 PolarHBondContact O-N 2.67Å; S327-V330 WeakPolarHBondContact O-CB 3.46Å; S327-V330 PolarHBondContact O-N 3.4Å; A328-V330 VanDerWaalsContact C-N 3.28Å; A328-V330 PolarHBondContact O-N 2.95Å; V330-A332 VanDerWaalsContact C-N 3.32Å; V330-A332 PolarHBondContact O-N 2.92Å; V330-A333 CarbonylContact O-C 3.52Å; V330-A333 PolarHBondContact O-N 3.41Å; V330-A333 VanDerWaalsContact O-N 3.17Å; V330-T334 PolarHBondContact O-N 3.49Å; V330-T334 PolarHBondContact O-OG1 3.05Å; V330-I343 HydrophobicContact CG1-CD1 3.92Å; V330-I343 HydrophobicContact CG1-CG1 3.93Å; V330-I343 HydrophobicContact CG2-CD1 4.02Å
331	M	98.8	Very high	98	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-58.2	-45.5	174.2	-62.3	179.4	176	0	0	111.6	L198 L205 Y276 L279 A280 V285 V323 S327 A328 A333 T334 L335	L198-M331 HydrophobicContact CD1-CE 4.5Å; L198-M331 HydrophobicContact CD2-SD 4.49Å; L205-M331 HydrophobicContact CD1-SD 3.52Å; L205-M331 VanDerWaalsContact CD1-SD 3.52Å; L205-M331 HydrophobicContact CD2-CB 4.44Å; Y276-M331 HydrophobicContact CD1-CE 4.3Å; L279-M331 HydrophobicContact CB-CB 4.42Å; L279-M331 HydrophobicContact CB-CG 4.01Å; L279-M331 WeakPolarHBondContact O-CA 3.29Å; L279-M331 PolarHBondContact O-N 2.92Å; A280-M331 HydrophobicContact CB-CE 3.7Å; A280-M331 HydrophobicContact CB-CG 3.99Å; V285-M331 HydrophobicContact CG2-CE 3.88Å; V323-M331 HydrophobicContact CG1-CE 3.63Å; V323-M331 HydrophobicContact CG1-SD 4.34Å; S327-M331 PolarHBondContact O-N 3.34Å; S327-M331 VanDerWaalsContact O-N 3.13Å; A328-M331 WeakPolarHBondContact O-CB 3.46Å; A328-M331 PolarHBondContact O-N 3.04Å; M331-A333 VanDerWaalsContact C-N 3.35Å; M331-T334 WeakPolarHBondContact O-CB 3.4Å; M331-T334 PolarHBondContact O-N 2.98Å; M331-L335 PolarHBondContact O-N 3.06Å
332	A	98.9	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.8	-39.6	176	0	0	0	0	0	112	A328 S329 V330 L335 A336 I390 V392	A328-A332 PolarHBondContact O-N 3.3Å; S329-A332 PolarHBondContact O-N 3.5Å; V330-A332 VanDerWaalsContact C-N 3.32Å; V330-A332 PolarHBondContact O-N 2.92Å; A332-L335 WeakPolarHBondContact O-CB 3.27Å; A332-L335 PolarHBondContact O-N 3.4Å; A332-A336 PolarHBondContact O-N 2.82Å; A332-I390 HydrophobicContact CB-CB 4.07Å; A332-I390 HydrophobicContact CB-CG2 4.3Å; A332-V392 HydrophobicContact CB-CG2 4.18Å
333	A	98.9	Very high	98.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.1	-31.5	177.8	0	0	0	0	0	112.8	C180 S329 V330 M331 L335 A336 N337 P342	C180-A333 HydrophobicContact CB-CB 3.64Å; C180-A333 WeakPolarHBondContact O-CB 3.37Å; C180-A333 VanDerWaalsContact SG-CB 3.58Å; S329-A333 VanDerWaalsContact O-CB 3.29Å; S329-A333 WeakPolarHBondContact O-CB 3.41Å; S329-A333 PolarHBondContact O-N 3.44Å; V330-A333 CarbonylContact O-C 3.52Å; V330-A333 PolarHBondContact O-N 3.41Å; V330-A333 VanDerWaalsContact O-N 3.17Å; M331-A333 VanDerWaalsContact C-N 3.35Å; A333-L335 VanDerWaalsContact C-N 3.29Å; A333-L335 PolarHBondContact O-N 3.29Å; A333-A336 CarbonylContact O-C 3.55Å; A333-A336 WeakPolarHBondContact O-CA 3.49Å; A333-A336 WeakPolarHBondContact O-CB 3.37Å; A333-A336 PolarHBondContact O-N 2.88Å; A333-A336 VanDerWaalsContact O-N 3.09Å; A333-N337 VanDerWaalsContact O-CB 3.25Å; A333-N337 WeakPolarHBondContact O-CB 3.38Å; A333-N337 PolarHBondContact O-N 3.39Å; A333-P342 HydrophobicContact CB-CG 3.81Å
334	T	98.9	Very high	98.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.9	-40.2	170.4	-59.6	0	0	0	0	110.7	L279 V330 M331 N337 G339 C341 V348	L279-T334 HydrophobicContact CD2-CG2 3.73Å; L279-T334 PolarHBondContact O-OG1 3.32Å; V330-T334 PolarHBondContact O-N 3.49Å; V330-T334 PolarHBondContact O-OG1 3.05Å; M331-T334 WeakPolarHBondContact O-CB 3.4Å; M331-T334 PolarHBondContact O-N 2.98Å; T334-N337 PolarHBondContact O-N 2.83Å; T334-G339 VanDerWaalsContact O-CA 3.29Å; T334-G339 WeakPolarHBondContact O-CA 3.44Å; T334-G339 PolarHBondContact O-N 2.92Å; T334-C341 HydrophobicContact CG2-CB 4.37Å; T334-C341 WeakPolarHBondContact OG1-CA 3.36Å; T334-V348 HydrophobicContact CG2-CB 4.38Å; T334-V348 HydrophobicContact CG2-CG2 4.19Å
335	L	98.9	Very high	98.5	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-68.6	-37.7	170.6	-61.3	177.3	0	0	0	112	L205 A208 M331 A332 A333 N337 G338 V354 V357 L358 M361 I390 V392	L205-L335 HydrophobicContact CD2-CD1 4.15Å; A208-L335 HydrophobicContact CB-CD2 4.43Å; M331-L335 PolarHBondContact O-N 3.06Å; A332-L335 WeakPolarHBondContact O-CB 3.27Å; A332-L335 PolarHBondContact O-N 3.4Å; A333-L335 VanDerWaalsContact C-N 3.29Å; A333-L335 PolarHBondContact O-N 3.29Å; L335-N337 PolarHBondContact O-N 3.49Å; L335-G338 PolarHBondContact O-N 3.21Å; L335-V354 HydrophobicContact CB-CG1 4.44Å; L335-V354 HydrophobicContact CD2-CG1 4.47Å; L335-V354 HydrophobicContact CD2-CG2 4.18Å; L335-V354 WeakPolarHBondContact O-CG1 3.47Å; L335-V357 HydrophobicContact CD1-CG1 4.41Å; L335-V357 HydrophobicContact CD2-CG1 4.44Å; L335-L358 HydrophobicContact CB-CD2 4.27Å; L335-M361 HydrophobicContact CD1-SD 4Å; L335-I390 HydrophobicContact CD1-CD1 4.48Å; L335-V392 HydrophobicContact CB-CG1 4.47Å; L335-V392 HydrophobicContact CB-CG2 4.24Å; L335-V392 HydrophobicContact CD1-CG2 4.45Å
336	A	98.8	Very high	98.5	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.017	10%	0.097	C	C	.	.	H	α-helix	trans	-61.2	-32.7	174.3	0	0	0	0	0	112.1	V182 A332 A333 G338 V392 N395	V182-A336 HydrophobicContact CG1-CB 3.93Å; A332-A336 PolarHBondContact O-N 2.82Å; A333-A336 CarbonylContact O-C 3.55Å; A333-A336 WeakPolarHBondContact O-CA 3.49Å; A333-A336 WeakPolarHBondContact O-CB 3.37Å; A333-A336 PolarHBondContact O-N 2.88Å; A333-A336 VanDerWaalsContact O-N 3.09Å; A336-G338 VanDerWaalsContact C-N 3.35Å; A336-G338 PolarHBondContact O-N 3.41Å; A336-V392 HydrophobicContact CB-CG1 3.79Å; A336-N395 WeakPolarHBondContact O-CA 3.25Å; A336-N395 PolarHBondContact O-N 2.92Å
337	N	98.7	Very high	98.4	Very high	50 Å²	50	18.8 Å²	18.8	27%	0.267	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	29.1	-175	-160.2	29.2	0	0	0	113.2	V182 A333 T334 L335 G339 V340	V182-N337 HydrophobicContact CB-CB 4.07Å; V182-N337 HydrophobicContact CG1-CB 3.74Å; A333-N337 VanDerWaalsContact O-CB 3.25Å; A333-N337 WeakPolarHBondContact O-CB 3.38Å; A333-N337 PolarHBondContact O-N 3.39Å; T334-N337 PolarHBondContact O-N 2.83Å; L335-N337 PolarHBondContact O-N 3.49Å; N337-G339 PolarHBondContact O-N 2.82Å; N337-G339 VanDerWaalsContact O-N 3.09Å; N337-V340 VanDerWaalsContact CB-O 3.32Å; N337-V340 WeakPolarHBondContact CB-O 3.15Å; N337-V340 PolarHBondContact ND2-O 3.39Å; N337-V340 PolarHBondContact O-N 2.92Å
338	G	98.4	Very high	98.4	Very high	15 Å²	15	19.1 Å²	19.1	16%	0.155	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	23.3	175.4	0	0	0	0	0	114.7	L335 A336 N351	L335-G338 PolarHBondContact O-N 3.21Å; A336-G338 VanDerWaalsContact C-N 3.35Å; A336-G338 PolarHBondContact O-N 3.41Å; G338-N351 VanDerWaalsContact O-CA 3.24Å; G338-N351 WeakPolarHBondContact O-CA 3.36Å; G338-N351 PolarHBondContact O-N 2.96Å
339	G	98.5	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	1.4	176.4	0	0	0	0	0	114.8	T334 N337 V348 V349	T334-G339 VanDerWaalsContact O-CA 3.29Å; T334-G339 WeakPolarHBondContact O-CA 3.44Å; T334-G339 PolarHBondContact O-N 2.92Å; N337-G339 PolarHBondContact O-N 2.82Å; N337-G339 VanDerWaalsContact O-N 3.09Å; G339-V348 PolarHBondContact O-N 3.5Å; G339-V349 WeakPolarHBondContact CA-O 3.5Å; G339-V349 PolarHBondContact O-N 2.97Å
340	V	98.8	Very high	98.4	Very high	43 Å²	43	23.5 Å²	23.5	26%	0.261	14%	0.135	S	C	.	.	B	Isolated β-bridge	trans	-94.9	122.7	174.8	-179.6	0	0	0	0	110.1	N337 P342 E346 K347	N337-V340 VanDerWaalsContact CB-O 3.32Å; N337-V340 WeakPolarHBondContact CB-O 3.15Å; N337-V340 PolarHBondContact ND2-O 3.39Å; N337-V340 PolarHBondContact O-N 2.92Å; V340-P342 WeakPolarHBondContact O-CD 3.36Å; V340-E346 CarbonylContact C-O 3.56Å; V340-E346 WeakPolarHBondContact CA-O 3.34Å; V340-K347 HydrophobicContact CG2-CB 4.16Å; V340-K347 HydrophobicContact CG2-CG 4.28Å
341	C	98.7	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.			trans	-67.2	120.2	179	-179.8	0	0	0	0	110.2	G281 T334 I343 T344 G345 E346 V348	G281-C341 VanDerWaalsContact CA-SG 3.5Å; T334-C341 HydrophobicContact CG2-CB 4.37Å; T334-C341 WeakPolarHBondContact OG1-CA 3.36Å; C341-I343 VanDerWaalsContact C-N 3.28Å; C341-I343 PolarHBondContact O-N 3.41Å; C341-T344 WeakPolarHBondContact CB-OG1 3.16Å; C341-T344 PolarHBondContact O-N 2.65Å; C341-G345 WeakPolarHBondContact O-CA 3.15Å; C341-G345 PolarHBondContact O-N 2.78Å; C341-E346 PolarHBondContact N-O 3.46Å; C341-V348 HydrophobicContact CB-CG2 4.02Å
342	P	98.5	Very high	98.3	Very high	4 Å²	4	35 Å²	35	3%	0.026	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-26.1	-168.8	26.7	-36.4	0	0	0	113.7	R81 C180 T181 V182 A333 V340	R81-P342 PolarHBondContact NE-O 2.83Å; R81-P342 PolarHBondContact NH1-O 2.95Å; C180-P342 VanDerWaalsContact SG-CG 3.58Å; T181-P342 WeakPolarHBondContact O-CB 3.22Å; V182-P342 VanDerWaalsContact O-CB 3.24Å; V182-P342 WeakPolarHBondContact O-CB 3.3Å; A333-P342 HydrophobicContact CB-CG 3.81Å; V340-P342 WeakPolarHBondContact O-CD 3.36Å
343	I	97.8	Very high	98.2	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-7.8	-178.4	64.9	170.2	0	0	0	113.9	P80 R81 E283 V330 C341	P80-I343 WeakPolarHBondContact CD-O 3.34Å; R81-I343 WeakPolarHBondContact CG-O 3.35Å; E283-I343 HydrophobicContact CG-CD1 4.17Å; V330-I343 HydrophobicContact CG1-CD1 3.92Å; V330-I343 HydrophobicContact CG1-CG1 3.93Å; V330-I343 HydrophobicContact CG2-CD1 4.02Å; C341-I343 VanDerWaalsContact C-N 3.28Å; C341-I343 PolarHBondContact O-N 3.41Å
344	T	97.6	Very high	98.2	Very high	43 Å²	43	35.6 Å²	35.6	26%	0.264	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-20.5	176.1	67.4	0	0	0	0	113.2	P80 C341 E346	P80-T344 HydrophobicContact CG-CG2 4.44Å; C341-T344 WeakPolarHBondContact CB-OG1 3.16Å; C341-T344 PolarHBondContact O-N 2.65Å; T344-E346 PolarHBondContact O-N 2.73Å; T344-E346 WeakPolarHBondContact OG1-CB 3.42Å; T344-E346 PolarHBondContact OG1-N 3.4Å
345	G	96.3	Very high	98.2	Very high	52 Å²	52	42.2 Å²	42.2	54%	0.536	22%	0.215	S	C	.	.			trans	71.7	3.2	-170.9	0	0	0	0	0	113.8	C341	C341-G345 WeakPolarHBondContact O-CA 3.15Å; C341-G345 PolarHBondContact O-N 2.78Å
346	E	97.8	Very high	98.1	Very high	58 Å²	58	43.1 Å²	43.1	27%	0.271	22%	0.22	S	C	.	.			trans	-75.6	127.5	-179.5	-173.3	178.6	177.1	0	0	110.5	K278 V340 C341 T344 V348	K278-E346 VanDerWaalsContact CD-OE1 3.28Å; K278-E346 WeakPolarHBondContact CD-OE1 3.47Å; K278-E346 WeakPolarHBondContact CE-OE1 3.4Å; K278-E346 IonicContact NZ-OE1 3.9Å; K278-E346 PolarHBondContact NZ-OE1 3.33Å; V340-E346 CarbonylContact C-O 3.56Å; V340-E346 WeakPolarHBondContact CA-O 3.34Å; C341-E346 PolarHBondContact N-O 3.46Å; T344-E346 PolarHBondContact O-N 2.73Å; T344-E346 WeakPolarHBondContact OG1-CB 3.42Å; T344-E346 PolarHBondContact OG1-N 3.4Å; E346-V348 PolarHBondContact O-N 2.91Å
347	K	98.4	Very high	98.1	Very high	121 Å²	121	43 Å²	43	53%	0.526	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-73.2	107.2	167.3	-174.7	177.5	60.4	164.4	0	109.1	V340 E350	V340-K347 HydrophobicContact CG2-CB 4.16Å; V340-K347 HydrophobicContact CG2-CG 4.28Å; K347-E350 WeakPolarHBondContact CE-OE1 3.37Å; K347-E350 IonicContact NZ-OE1 3.08Å; K347-E350 PolarHBondContact NZ-OE1 3.26Å; K347-E350 IonicContact NZ-OE2 3.97Å
348	V	98.4	Very high	98.1	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	21%	0.211	C	C	.	.			trans	-89.2	-40	-176.4	-171.4	0	0	0	0	111.7	M275 K278 L279 T334 G339 C341 E346	M275-V348 HydrophobicContact CE-CG1 3.98Å; M275-V348 WeakPolarHBondContact CE-O 3.33Å; K278-V348 HydrophobicContact CB-CB 4.43Å; K278-V348 HydrophobicContact CB-CG1 3.62Å; K278-V348 HydrophobicContact CB-CG2 3.96Å; K278-V348 HydrophobicContact CD-CG1 4.43Å; L279-V348 HydrophobicContact CD2-CB 4.17Å; L279-V348 HydrophobicContact CD2-CG1 3.76Å; L279-V348 HydrophobicContact CG-CG1 3.84Å; T334-V348 HydrophobicContact CG2-CB 4.38Å; T334-V348 HydrophobicContact CG2-CG2 4.19Å; G339-V348 PolarHBondContact O-N 3.5Å; C341-V348 HydrophobicContact CB-CG2 4.02Å; E346-V348 PolarHBondContact O-N 2.91Å
349	V	98.2	Very high	98.1	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.012	23%	0.226	C	C	.	.	S	Bend	trans	-141.9	157.6	175	-67.5	0	0	0	0	110.1	A208 D212 M275 G339 V354	A208-V349 HydrophobicContact CB-CG1 4.49Å; D212-V349 HydrophobicContact CB-CB 4.16Å; D212-V349 HydrophobicContact CB-CG1 3.93Å; D212-V349 WeakPolarHBondContact OD1-CA 3.3Å; M275-V349 HydrophobicContact CE-CG1 4.44Å; G339-V349 WeakPolarHBondContact CA-O 3.5Å; G339-V349 PolarHBondContact O-N 2.97Å; V349-V354 HydrophobicContact CG2-CG2 3.59Å
350	E	98	Very high	98	Very high	89 Å²	89	44.6 Å²	44.6	42%	0.416	23%	0.229	S	C	.	.			trans	-68.7	146.1	176.8	-69.6	-60.3	151.4	0	0	113	D212 K347 R352 S353 V354	D212-E350 WeakPolarHBondContact OD1-CG 3.47Å; D212-E350 PolarHBondContact OD1-N 3.1Å; K347-E350 WeakPolarHBondContact CE-OE1 3.37Å; K347-E350 IonicContact NZ-OE1 3.08Å; K347-E350 PolarHBondContact NZ-OE1 3.26Å; K347-E350 IonicContact NZ-OE2 3.97Å; E350-R352 PolarHBondContact O-N 2.87Å; E350-S353 VanDerWaalsContact O-CB 3.3Å; E350-S353 WeakPolarHBondContact O-CB 3.31Å; E350-S353 PolarHBondContact O-N 2.9Å; E350-V354 PolarHBondContact O-N 2.94Å
351	N	98.1	Very high	98	Very high	105 Å²	105	42.6 Å²	42.6	56%	0.561	22%	0.217	S	C	*	.	H	α-helix	trans	-57.9	-34.7	179.3	-177.1	22.9	0	0	0	112.7	G338 S353 V354 R355	G338-N351 VanDerWaalsContact O-CA 3.24Å; G338-N351 WeakPolarHBondContact O-CA 3.36Å; G338-N351 PolarHBondContact O-N 2.96Å; N351-S353 VanDerWaalsContact C-N 3.33Å; N351-S353 PolarHBondContact O-N 2.91Å; N351-V354 PolarHBondContact O-N 3.17Å; N351-R355 PolarHBondContact O-N 3.46Å
352	R	97.2	Very high	97.9	Very high	140 Å²	140	45.1 Å²	45.1	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-60.2	-43.6	175.3	-176	178.6	177.1	176.3	-0	111.5	D216 E350 V354 R355 D356	D216-R352 VanDerWaalsContact CG-NH2 3.29Å; D216-R352 IonicContact OD1-CZ 2.67Å; D216-R352 IonicContact OD1-NH2 2.8Å; D216-R352 PolarHBondContact OD1-NH2 3.41Å; D216-R352 IonicContact OD2-CZ 2.86Å; D216-R352 IonicContact OD2-NE 2.76Å; D216-R352 IonicContact OD2-NH2 3.05Å; D216-R352 PolarHBondContact OD2-NH2 3.42Å; E350-R352 PolarHBondContact O-N 2.87Å; R352-V354 VanDerWaalsContact C-N 3.32Å; R352-V354 PolarHBondContact O-N 2.79Å; R352-R355 WeakPolarHBondContact O-CB 3.13Å; R352-R355 PolarHBondContact O-N 3.21Å; R352-D356 PolarHBondContact O-N 3.13Å
353	S	98.3	Very high	97.8	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-42.2	177	-55.2	0	0	0	0	111.2	L211 D212 E350 N351 D356 V357	L211-S353 WeakPolarHBondContact CD1-O 3.47Å; D212-S353 PolarHBondContact N-OG 2.97Å; E350-S353 VanDerWaalsContact O-CB 3.3Å; E350-S353 WeakPolarHBondContact O-CB 3.31Å; E350-S353 PolarHBondContact O-N 2.9Å; N351-S353 VanDerWaalsContact C-N 3.33Å; N351-S353 PolarHBondContact O-N 2.91Å; S353-D356 PolarHBondContact O-N 3.2Å; S353-V357 WeakPolarHBondContact O-CG2 3.21Å; S353-V357 PolarHBondContact O-N 2.92Å
354	V	98.6	Very high	97.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-63.5	-43.6	177.4	174.3	0	0	0	0	112.2	L335 V349 E350 N351 R352 D356 V357 L358	L335-V354 HydrophobicContact CB-CG1 4.44Å; L335-V354 HydrophobicContact CD2-CG1 4.47Å; L335-V354 HydrophobicContact CD2-CG2 4.18Å; L335-V354 WeakPolarHBondContact O-CG1 3.47Å; V349-V354 HydrophobicContact CG2-CG2 3.59Å; E350-V354 PolarHBondContact O-N 2.94Å; N351-V354 PolarHBondContact O-N 3.17Å; R352-V354 VanDerWaalsContact C-N 3.32Å; R352-V354 PolarHBondContact O-N 2.79Å; V354-D356 VanDerWaalsContact C-N 3.27Å; V354-D356 PolarHBondContact O-N 3.03Å; V354-V357 PolarHBondContact O-N 2.94Å; V354-L358 HydrophobicContact CG1-CD1 3.84Å; V354-L358 HydrophobicContact CG1-CG 4.08Å; V354-L358 WeakPolarHBondContact O-CG 3.38Å; V354-L358 PolarHBondContact O-N 2.99Å
355	R	98	Very high	97.4	Very high	139 Å²	139	45.4 Å²	45.4	53%	0.525	23%	0.23	S	C	.	.	H	α-helix	trans	-54.1	-45.6	176.4	-177.1	-161.3	67.6	-176.4	-0.3	111.7	N351 R352 S359	N351-R355 PolarHBondContact O-N 3.46Å; R352-R355 WeakPolarHBondContact O-CB 3.13Å; R352-R355 PolarHBondContact O-N 3.21Å; R355-S359 WeakPolarHBondContact O-CB 3.44Å; R355-S359 PolarHBondContact O-N 3.39Å; R355-S359 VanDerWaalsContact O-N 3.09Å; R355-S359 PolarHBondContact O-OG 3.16Å
356	D	98.1	Very high	97.4	Very high	19 Å²	19	43 Å²	43	10%	0.102	21%	0.205	C	C	.	.	H	α-helix	trans	-71.6	-38.6	-177.5	-60.8	-11.2	0	0	0	110.9	L211 R352 S353 V354 S359 L360	L211-D356 HydrophobicContact CD1-CB 3.77Å; R352-D356 PolarHBondContact O-N 3.13Å; S353-D356 PolarHBondContact O-N 3.2Å; V354-D356 VanDerWaalsContact C-N 3.27Å; V354-D356 PolarHBondContact O-N 3.03Å; D356-S359 WeakPolarHBondContact O-CB 3.38Å; D356-S359 PolarHBondContact O-N 2.83Å; D356-L360 PolarHBondContact O-N 3.37Å; D356-L360 VanDerWaalsContact O-N 3.16Å
357	V	98.6	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-49.7	173	172	0	0	0	0	111.8	A204 Y207 A208 L211 L335 S353 V354 S359 L360 M361	A204-V357 HydrophobicContact CB-CG1 4.41Å; Y207-V357 HydrophobicContact CD1-CB 4.23Å; Y207-V357 HydrophobicContact CD1-CG2 3.56Å; Y207-V357 HydrophobicContact CE1-CB 4.47Å; Y207-V357 HydrophobicContact CE1-CG2 3.95Å; Y207-V357 HydrophobicContact CG-CG2 4.19Å; A208-V357 VanDerWaalsContact CA-CG2 3.46Å; A208-V357 HydrophobicContact CB-CG2 3.6Å; L211-V357 HydrophobicContact CD1-CG2 4.1Å; L335-V357 HydrophobicContact CD1-CG1 4.41Å; L335-V357 HydrophobicContact CD2-CG1 4.44Å; S353-V357 WeakPolarHBondContact O-CG2 3.21Å; S353-V357 PolarHBondContact O-N 2.92Å; V354-V357 PolarHBondContact O-N 2.94Å; V357-S359 VanDerWaalsContact C-N 3.26Å; V357-S359 PolarHBondContact O-N 3.21Å; V357-L360 PolarHBondContact O-N 3.34Å; V357-M361 HydrophobicContact CG1-CG 4.27Å; V357-M361 HydrophobicContact CG1-SD 3.81Å; V357-M361 WeakPolarHBondContact O-CG 3.43Å; V357-M361 PolarHBondContact O-N 3.09Å
358	L	98.5	Very high	96.6	Very high	21 Å²	21	38.6 Å²	38.6	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-34.5	-180	-66.8	179.7	0	0	0	111.8	L335 V354 M361 Y362 P380 V392 P394	L335-L358 HydrophobicContact CB-CD2 4.27Å; V354-L358 HydrophobicContact CG1-CD1 3.84Å; V354-L358 HydrophobicContact CG1-CG 4.08Å; V354-L358 WeakPolarHBondContact O-CG 3.38Å; V354-L358 PolarHBondContact O-N 2.99Å; L358-M361 HydrophobicContact CD2-SD 4.12Å; L358-M361 PolarHBondContact O-N 2.87Å; L358-Y362 WeakPolarHBondContact O-CB 3.45Å; L358-Y362 PolarHBondContact O-N 2.91Å; L358-P380 HydrophobicContact CB-CB 4.36Å; L358-P380 HydrophobicContact CB-CG 4.16Å; L358-P380 HydrophobicContact CD2-CB 3.93Å; L358-P380 HydrophobicContact CD2-CG 4.23Å; L358-V392 HydrophobicContact CD1-CG1 4.46Å; L358-V392 HydrophobicContact CD2-CB 3.9Å; L358-V392 HydrophobicContact CD2-CG1 3.7Å; L358-V392 HydrophobicContact CD2-CG2 4.1Å; L358-P394 HydrophobicContact CD1-CG 4.26Å
359	S	97.6	Very high	96.4	Very high	67 Å²	67	39.1 Å²	39.1	47%	0.469	19%	0.189	S	C	.	.	H	α-helix	trans	-62.8	-41.7	175.5	-58.7	0	0	0	0	112.1	R355 D356 V357 S363	R355-S359 WeakPolarHBondContact O-CB 3.44Å; R355-S359 PolarHBondContact O-N 3.39Å; R355-S359 VanDerWaalsContact O-N 3.09Å; R355-S359 PolarHBondContact O-OG 3.16Å; D356-S359 WeakPolarHBondContact O-CB 3.38Å; D356-S359 PolarHBondContact O-N 2.83Å; V357-S359 VanDerWaalsContact C-N 3.26Å; V357-S359 PolarHBondContact O-N 3.21Å; S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 3.03Å
360	L	97.2	Very high	96.2	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-79	-30.6	176.2	-63.1	-170.9	0	0	0	113.1	Y207 Q225 P246 M247 D356 V357 Y362 S363 C364	Y207-L360 HydrophobicContact CD1-CD1 4.31Å; Y207-L360 HydrophobicContact CE1-CB 4.39Å; Y207-L360 HydrophobicContact CE1-CD1 3.46Å; Y207-L360 VanDerWaalsContact CE1-CD1 3.46Å; Y207-L360 HydrophobicContact CE1-CG 4.13Å; Q225-L360 HydrophobicContact CB-CD2 4.33Å; Q225-L360 WeakPolarHBondContact O-CD2 3.31Å; P246-L360 HydrophobicContact CG-CD1 3.91Å; M247-L360 HydrophobicContact CE-CB 3.83Å; M247-L360 HydrophobicContact CG-CB 4.26Å; D356-L360 PolarHBondContact O-N 3.37Å; D356-L360 VanDerWaalsContact O-N 3.16Å; V357-L360 PolarHBondContact O-N 3.34Å; L360-Y362 VanDerWaalsContact C-N 3.3Å; L360-S363 PolarHBondContact O-N 3.24Å; L360-C364 WeakPolarHBondContact O-CA 3.41Å; L360-C364 VanDerWaalsContact O-CB 3.24Å; L360-C364 WeakPolarHBondContact O-CB 3.34Å; L360-C364 PolarHBondContact O-N 3.31Å
361	M	98.1	Very high	95.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-40.7	170.2	-76.5	177.2	63.1	0	0	111.1	A204 M247 L335 V357 L358 S363 G365 P380 A381 K382 I390 V392	A204-M361 HydrophobicContact CB-CG 4.06Å; A204-M361 HydrophobicContact CB-SD 3.98Å; M247-M361 HydrophobicContact CE-CG 3.72Å; L335-M361 HydrophobicContact CD1-SD 4Å; V357-M361 HydrophobicContact CG1-CG 4.27Å; V357-M361 HydrophobicContact CG1-SD 3.81Å; V357-M361 WeakPolarHBondContact O-CG 3.43Å; V357-M361 PolarHBondContact O-N 3.09Å; L358-M361 HydrophobicContact CD2-SD 4.12Å; L358-M361 PolarHBondContact O-N 2.87Å; M361-S363 PolarHBondContact O-N 3.23Å; M361-G365 WeakPolarHBondContact O-CA 3.26Å; M361-G365 PolarHBondContact O-N 3.25Å; M361-G365 VanDerWaalsContact O-N 3.1Å; M361-P380 HydrophobicContact CB-CB 3.85Å; M361-P380 HydrophobicContact CE-CB 4.48Å; M361-A381 VanDerWaalsContact O-O 3.14Å; M361-K382 HydrophobicContact CE-CB 4.18Å; M361-I390 HydrophobicContact CE-CD1 3.96Å; M361-I390 HydrophobicContact CE-CG1 4.14Å; M361-V392 HydrophobicContact CE-CG2 3.89Å
362	Y	97.1	Very high	95.7	Very high	52 Å²	52	37.8 Å²	37.8	20%	0.204	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-41.9	178.1	-174.2	-97	0	0	0	112.7	L358 L360 A374 P380	L358-Y362 WeakPolarHBondContact O-CB 3.45Å; L358-Y362 PolarHBondContact O-N 2.91Å; L360-Y362 VanDerWaalsContact C-N 3.3Å; Y362-A374 HydrophobicContact CD1-CB 4.25Å; Y362-A374 HydrophobicContact CE1-CB 3.74Å; Y362-A374 HydrophobicContact CE2-CB 4.25Å; Y362-A374 PolarHBondContact OH-O 3.31Å; Y362-A374 VanDerWaalsContact OH-O 3.07Å; Y362-P380 HydrophobicContact CD2-CG 4.5Å
363	S	95.2	Very high	95.7	Very high	40 Å²	40	31.2 Å²	31.2	28%	0.28	17%	0.17	S	C	.	.	H	α-helix	trans	-97	-23.6	-173.4	55.9	0	0	0	0	115.1	S359 L360 M361 S370	S359-S363 PolarHBondContact O-N 3.37Å; S359-S363 PolarHBondContact O-OG 3.03Å; L360-S363 PolarHBondContact O-N 3.24Å; M361-S363 PolarHBondContact O-N 3.23Å; S363-S370 WeakPolarHBondContact O-CB 3.17Å
364	C	94.1	Very high	95.6	Very high	16 Å²	16	31.3 Å²	31.3	11%	0.108	17%	0.171	C	C	.	.	H	α-helix	trans	-131.5	2.4	-170	-54.2	0	0	0	0	113.8	M247 L360 S370	M247-C364 HydrophobicContact CB-CB 4.02Å; M247-C364 HydrophobicContact CG-CB 4.06Å; L360-C364 WeakPolarHBondContact O-CA 3.41Å; L360-C364 VanDerWaalsContact O-CB 3.24Å; L360-C364 WeakPolarHBondContact O-CB 3.34Å; L360-C364 PolarHBondContact O-N 3.31Å; C364-S370 VanDerWaalsContact C-OG 3.26Å
365	G	94.6	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-21.5	-167	0	0	0	0	0	116.8	M361 S370 A381 K382 S383	M361-G365 WeakPolarHBondContact O-CA 3.26Å; M361-G365 PolarHBondContact O-N 3.25Å; M361-G365 VanDerWaalsContact O-N 3.1Å; G365-S370 PolarHBondContact N-OG 3.47Å; G365-A381 VanDerWaalsContact CA-O 3.27Å; G365-A381 WeakPolarHBondContact CA-O 3.46Å; G365-K382 WeakPolarHBondContact O-CD 3.46Å; G365-K382 PolarHBondContact O-NZ 3.36Å; G365-S383 PolarHBondContact O-N 2.9Å
366	M	95.2	Very high	95.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	35.2	-169.4	-56.6	-62	-68.6	0	0	112.7	D368 Y369 S370 F373 A381 M389 N411 V416	M366-D368 PolarHBondContact O-N 3.3Å; M366-Y369 WeakPolarHBondContact O-CA 3.45Å; M366-Y369 VanDerWaalsContact O-CB 3.31Å; M366-Y369 WeakPolarHBondContact O-CB 3.48Å; M366-Y369 PolarHBondContact O-N 3.3Å; M366-S370 WeakPolarHBondContact CA-OG 3.17Å; M366-S370 PolarHBondContact N-OG 3.03Å; M366-F373 HydrophobicContact CB-CB 4.29Å; M366-F373 HydrophobicContact CB-CG 4.46Å; M366-F373 HydrophobicContact CE-CD2 3.93Å; M366-F373 HydrophobicContact CE-CE2 3.87Å; M366-F373 HydrophobicContact CE-CZ 4.41Å; M366-F373 HydrophobicContact CG-CB 4.05Å; M366-F373 HydrophobicContact CG-CD1 3.88Å; M366-F373 HydrophobicContact CG-CD2 4.1Å; M366-F373 HydrophobicContact CG-CE1 4.36Å; M366-F373 HydrophobicContact CG-CG 3.74Å; M366-A381 HydrophobicContact CG-CB 4.17Å; M366-A381 HydrophobicContact SD-CB 3.58Å; M366-A381 VanDerWaalsContact SD-CB 3.58Å; M366-M389 HydrophobicContact CE-CE 3.66Å; M366-M389 HydrophobicContact CE-SD 4.24Å; M366-M389 HydrophobicContact SD-CE 4.02Å; M366-N411 HydrophobicContact CE-CB 4.41Å; M366-N411 PolarHBondContact O-ND2 3.47Å; M366-N411 VanDerWaalsContact O-ND2 3.14Å; M366-V416 HydrophobicContact CE-CG2 3.92Å
367	Y	90.5	Very high	95.3	Very high	27 Å²	27	37 Å²	37	11%	0.106	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	53.8	-137.9	-176.2	-50.5	-70.5	0	0	0	110.6	F232 Y369 S370 S383 V385 L409 G410 N411	F232-Y367 HydrophobicContact CB-CD1 3.78Å; F232-Y367 HydrophobicContact CB-CG 4.43Å; F232-Y367 HydrophobicContact CD1-CD1 4.14Å; F232-Y367 HydrophobicContact CD1-CG 4.33Å; F232-Y367 AromaticContact CD2-CD1 3.69Å; F232-Y367 HydrophobicContact CD2-CD1 3.69Å; F232-Y367 AromaticContact CD2-CE1 3.99Å; F232-Y367 HydrophobicContact CD2-CE1 3.99Å; F232-Y367 HydrophobicContact CE2-CD1 4.33Å; F232-Y367 HydrophobicContact CE2-CE1 4.36Å; F232-Y367 AromaticContact CG-CD1 3.58Å; F232-Y367 HydrophobicContact CG-CD1 3.58Å; F232-Y367 HydrophobicContact CG-CE1 4.35Å; F232-Y367 HydrophobicContact CG-CG 4.2Å; Y367-Y369 PolarHBondContact O-N 2.84Å; Y367-S370 PolarHBondContact N-OG 3.18Å; Y367-S370 WeakPolarHBondContact O-CB 3.21Å; Y367-S370 PolarHBondContact O-N 3.18Å; Y367-S370 VanDerWaalsContact O-N 3.16Å; Y367-S370 PolarHBondContact O-OG 3.39Å; Y367-S383 PolarHBondContact OH-O 2.82Å; Y367-V385 WeakPolarHBondContact OH-CG1 3.5Å; Y367-L409 WeakPolarHBondContact CD2-O 3.44Å; Y367-G410 WeakPolarHBondContact CE2-O 3.3Å; Y367-N411 VanDerWaalsContact CD2-OD1 3.3Å; Y367-N411 WeakPolarHBondContact CD2-OD1 3.35Å
368	D	89.5	Confident	95.2	Very high	59 Å²	59	37 Å²	37	32%	0.316	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.5	-11.7	179.7	-52.4	-23.8	0	0	0	112.7	L231 F232 M366 S370 L409	L231-D368 WeakPolarHBondContact CA-OD1 3.29Å; L231-D368 WeakPolarHBondContact CD2-OD2 3.31Å; F232-D368 PolarHBondContact N-OD1 3.22Å; M366-D368 PolarHBondContact O-N 3.3Å; D368-S370 VanDerWaalsContact C-N 3.33Å; D368-L409 HydrophobicContact CB-CD2 4.34Å
369	Y	93.3	Very high	95.2	Very high	19 Å²	19	36 Å²	36	8%	0.075	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-82.9	-8.1	175.5	-163.9	-122.4	0	0	0	113.2	M366 Y367 G371 Q372 F373 L409 N411 V416 M420	M366-Y369 WeakPolarHBondContact O-CA 3.45Å; M366-Y369 VanDerWaalsContact O-CB 3.31Å; M366-Y369 WeakPolarHBondContact O-CB 3.48Å; M366-Y369 PolarHBondContact O-N 3.3Å; Y367-Y369 PolarHBondContact O-N 2.84Å; Y369-G371 VanDerWaalsContact C-N 3.34Å; Y369-G371 PolarHBondContact O-N 2.79Å; Y369-Q372 HydrophobicContact CD2-CB 3.73Å; Y369-Q372 HydrophobicContact CD2-CG 4.41Å; Y369-Q372 HydrophobicContact CE2-CB 3.39Å; Y369-Q372 HydrophobicContact CE2-CG 4.19Å; Y369-Q372 PolarHBondContact O-N 2.68Å; Y369-F373 HydrophobicContact CD1-CB 3.76Å; Y369-F373 AromaticContact CD1-CD2 3.97Å; Y369-F373 HydrophobicContact CD1-CD2 3.97Å; Y369-F373 HydrophobicContact CD1-CG 4.36Å; Y369-F373 HydrophobicContact CE1-CB 3.9Å; Y369-F373 AromaticContact CE1-CD2 3.8Å; Y369-F373 HydrophobicContact CE1-CD2 3.8Å; Y369-F373 HydrophobicContact CE1-CG 4.36Å; Y369-F373 WeakPolarHBondContact O-CB 3.5Å; Y369-F373 PolarHBondContact O-N 3.44Å; Y369-L409 HydrophobicContact CD2-CD1 4.05Å; Y369-L409 HydrophobicContact CG-CD1 4.3Å; Y369-N411 WeakPolarHBondContact CB-ND2 3.44Å; Y369-V416 HydrophobicContact CE1-CG1 3.91Å; Y369-M420 HydrophobicContact CE1-CE 4.24Å; Y369-M420 WeakPolarHBondContact OH-CE 3.38Å
370	S	93.8	Very high	95.3	Very high	6 Å²	6	33 Å²	33	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-53.8	-44.3	-171.5	-55.8	0	0	0	0	113.8	S363 C364 G365 M366 Y367 D368 Q372 F373 A374	S363-S370 WeakPolarHBondContact O-CB 3.17Å; C364-S370 VanDerWaalsContact C-OG 3.26Å; G365-S370 PolarHBondContact N-OG 3.47Å; M366-S370 WeakPolarHBondContact CA-OG 3.17Å; M366-S370 PolarHBondContact N-OG 3.03Å; Y367-S370 PolarHBondContact N-OG 3.18Å; Y367-S370 WeakPolarHBondContact O-CB 3.21Å; Y367-S370 PolarHBondContact O-N 3.18Å; Y367-S370 VanDerWaalsContact O-N 3.16Å; Y367-S370 PolarHBondContact O-OG 3.39Å; D368-S370 VanDerWaalsContact C-N 3.33Å; S370-Q372 PolarHBondContact O-N 3.24Å; S370-F373 PolarHBondContact O-N 3.33Å; S370-A374 VanDerWaalsContact O-CB 3.28Å; S370-A374 WeakPolarHBondContact O-CB 3.36Å; S370-A374 PolarHBondContact O-N 2.81Å
371	G	92.6	Very high	95.3	Very high	57 Å²	57	32.6 Å²	32.6	59%	0.588	17%	0.171	S	C	*	.	H	α-helix	trans	-64.7	-40.4	178.2	0	0	0	0	0	113.6	Y369 F375	Y369-G371 VanDerWaalsContact C-N 3.34Å; Y369-G371 PolarHBondContact O-N 2.79Å; G371-F375 PolarHBondContact O-N 3.31Å
372	Q	94.6	Very high	95.3	Very high	106 Å²	106	32.5 Å²	32.5	50%	0.495	17%	0.171	S	C	.	.	H	α-helix	trans	-73.3	-36.6	176.9	-70	-172.2	42.1	0	0	112	Y369 S370 F375 K376	Y369-Q372 HydrophobicContact CD2-CB 3.73Å; Y369-Q372 HydrophobicContact CD2-CG 4.41Å; Y369-Q372 HydrophobicContact CE2-CB 3.39Å; Y369-Q372 HydrophobicContact CE2-CG 4.19Å; Y369-Q372 PolarHBondContact O-N 2.68Å; S370-Q372 PolarHBondContact O-N 3.24Å; Q372-F375 PolarHBondContact O-N 3.31Å; Q372-K376 WeakPolarHBondContact O-CB 3.45Å; Q372-K376 WeakPolarHBondContact O-CG 3.41Å; Q372-K376 PolarHBondContact O-N 3.5Å
373	F	97	Very high	95.3	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-44.5	175.4	-167.3	-88.3	0	0	0	111	M366 Y369 S370 F375 K376 V377 G378 L379 A381 M389 L391 A419	M366-F373 HydrophobicContact CB-CB 4.29Å; M366-F373 HydrophobicContact CB-CG 4.46Å; M366-F373 HydrophobicContact CE-CD2 3.93Å; M366-F373 HydrophobicContact CE-CE2 3.87Å; M366-F373 HydrophobicContact CE-CZ 4.41Å; M366-F373 HydrophobicContact CG-CB 4.05Å; M366-F373 HydrophobicContact CG-CD1 3.88Å; M366-F373 HydrophobicContact CG-CD2 4.1Å; M366-F373 HydrophobicContact CG-CE1 4.36Å; M366-F373 HydrophobicContact CG-CG 3.74Å; Y369-F373 HydrophobicContact CD1-CB 3.76Å; Y369-F373 AromaticContact CD1-CD2 3.97Å; Y369-F373 HydrophobicContact CD1-CD2 3.97Å; Y369-F373 HydrophobicContact CD1-CG 4.36Å; Y369-F373 HydrophobicContact CE1-CB 3.9Å; Y369-F373 AromaticContact CE1-CD2 3.8Å; Y369-F373 HydrophobicContact CE1-CD2 3.8Å; Y369-F373 HydrophobicContact CE1-CG 4.36Å; Y369-F373 WeakPolarHBondContact O-CB 3.5Å; Y369-F373 PolarHBondContact O-N 3.44Å; S370-F373 PolarHBondContact O-N 3.33Å; F373-F375 PolarHBondContact O-N 3.12Å; F373-K376 PolarHBondContact O-N 3.45Å; F373-V377 HydrophobicContact CD1-CB 4.05Å; F373-V377 HydrophobicContact CD1-CG2 4.49Å; F373-V377 HydrophobicContact CD2-CB 4.38Å; F373-V377 HydrophobicContact CD2-CG2 3.94Å; F373-V377 HydrophobicContact CE1-CB 3.77Å; F373-V377 HydrophobicContact CE1-CG1 3.78Å; F373-V377 HydrophobicContact CE1-CG2 4.26Å; F373-V377 HydrophobicContact CE2-CB 4.13Å; F373-V377 HydrophobicContact CE2-CG1 4.36Å; F373-V377 HydrophobicContact CE2-CG2 3.68Å; F373-V377 HydrophobicContact CG-CB 4.35Å; F373-V377 HydrophobicContact CG-CG2 4.34Å; F373-V377 HydrophobicContact CZ-CB 3.81Å; F373-V377 HydrophobicContact CZ-CG1 3.67Å; F373-V377 HydrophobicContact CZ-CG2 3.86Å; F373-V377 WeakPolarHBondContact O-CA 3.09Å; F373-V377 WeakPolarHBondContact O-CB 3.35Å; F373-V377 PolarHBondContact O-N 3.36Å; F373-G378 PolarHBondContact O-N 3.08Å; F373-G378 VanDerWaalsContact O-N 3.15Å; F373-L379 WeakPolarHBondContact CE1-O 3.45Å; F373-A381 HydrophobicContact CD1-CB 4.37Å; F373-A381 HydrophobicContact CE1-CB 3.59Å; F373-A381 HydrophobicContact CZ-CB 3.92Å; F373-M389 HydrophobicContact CE2-CE 4.15Å; F373-M389 HydrophobicContact CZ-CE 3.92Å; F373-L391 HydrophobicContact CE1-CD1 4.12Å; F373-L391 HydrophobicContact CZ-CD1 4.02Å; F373-A419 HydrophobicContact CE2-CB 4.06Å; F373-A419 HydrophobicContact CZ-CB 3.92Å
374	A	95.6	Very high	95.3	Very high	11 Å²	11	28.1 Å²	28.1	9%	0.091	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-35.4	174	0	0	0	0	0	112.6	Y362 S370 G378	Y362-A374 HydrophobicContact CD1-CB 4.25Å; Y362-A374 HydrophobicContact CE1-CB 3.74Å; Y362-A374 HydrophobicContact CE2-CB 4.25Å; Y362-A374 PolarHBondContact OH-O 3.31Å; Y362-A374 VanDerWaalsContact OH-O 3.07Å; S370-A374 VanDerWaalsContact O-CB 3.28Å; S370-A374 WeakPolarHBondContact O-CB 3.36Å; S370-A374 PolarHBondContact O-N 2.81Å; A374-G378 WeakPolarHBondContact O-CA 3.2Å; A374-G378 PolarHBondContact O-N 3.17Å
375	F	94.1	Very high	95.2	Very high	176 Å²	176	28 Å²	28	77%	0.772	15%	0.146	S	C	*	.	H	α-helix	trans	-77.7	-41	177.7	-174.4	-90.1	0	0	0	113.7	G371 Q372 F373 H429	G371-F375 PolarHBondContact O-N 3.31Å; Q372-F375 PolarHBondContact O-N 3.31Å; F373-F375 PolarHBondContact O-N 3.12Å; F375-H429 PolarHBondContact O-NE2 3.4Å
376	K	95.9	Very high	95.1	Very high	104 Å²	104	28.4 Å²	28.4	45%	0.452	15%	0.149	S	C	.	.	H	α-helix	trans	-88.4	-39.3	-173.8	-68.3	-179.5	-176.7	174	0	113.5	Q372 F373 M420	Q372-K376 WeakPolarHBondContact O-CB 3.45Å; Q372-K376 WeakPolarHBondContact O-CG 3.41Å; Q372-K376 PolarHBondContact O-N 3.5Å; F373-K376 PolarHBondContact O-N 3.45Å; K376-M420 HydrophobicContact CD-CE 4.01Å
377	V	97.7	Very high	95.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-39.5	-177.3	-177.5	0	0	0	0	110.6	F373 L379 L391 A419 M420 V423 H429	F373-V377 HydrophobicContact CD1-CB 4.05Å; F373-V377 HydrophobicContact CD1-CG2 4.49Å; F373-V377 HydrophobicContact CD2-CB 4.38Å; F373-V377 HydrophobicContact CD2-CG2 3.94Å; F373-V377 HydrophobicContact CE1-CB 3.77Å; F373-V377 HydrophobicContact CE1-CG1 3.78Å; F373-V377 HydrophobicContact CE1-CG2 4.26Å; F373-V377 HydrophobicContact CE2-CB 4.13Å; F373-V377 HydrophobicContact CE2-CG1 4.36Å; F373-V377 HydrophobicContact CE2-CG2 3.68Å; F373-V377 HydrophobicContact CG-CB 4.35Å; F373-V377 HydrophobicContact CG-CG2 4.34Å; F373-V377 HydrophobicContact CZ-CB 3.81Å; F373-V377 HydrophobicContact CZ-CG1 3.67Å; F373-V377 HydrophobicContact CZ-CG2 3.86Å; F373-V377 WeakPolarHBondContact O-CA 3.09Å; F373-V377 WeakPolarHBondContact O-CB 3.35Å; F373-V377 PolarHBondContact O-N 3.36Å; V377-L379 VanDerWaalsContact C-N 3.28Å; V377-L379 HydrophobicContact CG1-CB 4.11Å; V377-L379 HydrophobicContact CG1-CD1 4.12Å; V377-L379 HydrophobicContact CG1-CG 4.31Å; V377-L379 PolarHBondContact O-N 3.02Å; V377-L391 HydrophobicContact CG1-CD1 4.46Å; V377-A419 HydrophobicContact CG1-CB 4.11Å; V377-A419 HydrophobicContact CG2-CB 4.34Å; V377-M420 HydrophobicContact CG2-CG 3.93Å; V377-V423 HydrophobicContact CG1-CG1 3.86Å; V377-V423 HydrophobicContact CG1-CG2 4.44Å; V377-V423 WeakPolarHBondContact O-CG1 3.4Å; V377-H429 VanDerWaalsContact C-CD2 3.45Å; V377-H429 PolarHBondContact O-CD2 2.89Å; V377-H429 VanDerWaalsContact O-CD2 3.22Å
378	G	97.4	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.			trans	67.5	27.4	173.7	0	0	0	0	0	114.8	F373 A374 H429 N430	F373-G378 PolarHBondContact O-N 3.08Å; F373-G378 VanDerWaalsContact O-N 3.15Å; A374-G378 WeakPolarHBondContact O-CA 3.2Å; A374-G378 PolarHBondContact O-N 3.17Å; G378-H429 VanDerWaalsContact CA-NE2 3.34Å; G378-H429 WeakPolarHBondContact CA-NE2 3.29Å; G378-N430 WeakPolarHBondContact O-CB 3.27Å; G378-N430 PolarHBondContact O-N 3.46Å; G378-N430 PolarHBondContact O-ND2 2.89Å; G378-N430 VanDerWaalsContact O-ND2 3.1Å; G378-N430 PolarHBondContact O-OD1 2.82Å
379	L	98.4	Very high	95.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-130.2	144.4	179.9	-69.8	172.6	0	0	0	111.2	F373 V377 A381 L391 I393 V423 F428	F373-L379 WeakPolarHBondContact CE1-O 3.45Å; V377-L379 VanDerWaalsContact C-N 3.28Å; V377-L379 HydrophobicContact CG1-CB 4.11Å; V377-L379 HydrophobicContact CG1-CD1 4.12Å; V377-L379 HydrophobicContact CG1-CG 4.31Å; V377-L379 PolarHBondContact O-N 3.02Å; L379-A381 PolarHBondContact O-N 2.84Å; L379-L391 HydrophobicContact CB-CD1 3.61Å; L379-L391 HydrophobicContact CB-CG 4.39Å; L379-L391 HydrophobicContact CD1-CD1 4.07Å; L379-L391 HydrophobicContact CD1-CD2 3.98Å; L379-L391 HydrophobicContact CD1-CG 4.15Å; L379-I393 HydrophobicContact CD1-CG1 3.84Å; L379-I393 HydrophobicContact CD2-CB 4.43Å; L379-I393 HydrophobicContact CD2-CG1 3.97Å; L379-I393 HydrophobicContact CD2-CG2 4.37Å; L379-V423 HydrophobicContact CD1-CG1 3.74Å; L379-V423 HydrophobicContact CG-CG1 4.43Å; L379-F428 HydrophobicContact CD1-CB 4.32Å; L379-F428 VanDerWaalsContact CD2-O 3.23Å; L379-F428 WeakPolarHBondContact CD2-O 3.12Å
380	P	98.5	Very high	96.2	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.026	13%	0.125	C	C	.	.			trans	-60.5	128.9	169.8	-20.3	30.2	0	0	0	111.8	L358 M361 Y362 V392 P394	L358-P380 HydrophobicContact CB-CB 4.36Å; L358-P380 HydrophobicContact CB-CG 4.16Å; L358-P380 HydrophobicContact CD2-CB 3.93Å; L358-P380 HydrophobicContact CD2-CG 4.23Å; M361-P380 HydrophobicContact CB-CB 3.85Å; M361-P380 HydrophobicContact CE-CB 4.48Å; Y362-P380 HydrophobicContact CD2-CG 4.5Å; P380-V392 HydrophobicContact CB-CB 4.46Å; P380-V392 WeakPolarHBondContact CD-O 3.28Å; P380-V392 PolarHBondContact O-N 3.14Å; P380-P394 HydrophobicContact CG-CG 4.45Å
381	A	98.5	Very high	96.4	Very high	1 Å²	1	23 Å²	23	1%	0.008	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.1	177.6	0	0	0	0	0	111.2	M361 G365 M366 F373 L379 M389 I390 L391	M361-A381 VanDerWaalsContact O-O 3.14Å; G365-A381 VanDerWaalsContact CA-O 3.27Å; G365-A381 WeakPolarHBondContact CA-O 3.46Å; M366-A381 HydrophobicContact CG-CB 4.17Å; M366-A381 HydrophobicContact SD-CB 3.58Å; M366-A381 VanDerWaalsContact SD-CB 3.58Å; F373-A381 HydrophobicContact CD1-CB 4.37Å; F373-A381 HydrophobicContact CE1-CB 3.59Å; F373-A381 HydrophobicContact CZ-CB 3.92Å; L379-A381 PolarHBondContact O-N 2.84Å; A381-M389 HydrophobicContact CB-CE 3.93Å; A381-I390 CarbonylContact C-O 3.52Å; A381-I390 WeakPolarHBondContact CA-O 3.49Å; A381-I390 WeakPolarHBondContact CB-O 3.44Å; A381-L391 HydrophobicContact CB-CD1 3.88Å
382	K	98	Very high	96.7	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.6	166.2	-172.6	71.8	-159	76.4	0	110	S200 I201 A204 M247 M361 G365 M389 I390	S200-K382 VanDerWaalsContact O-CE 3.23Å; S200-K382 WeakPolarHBondContact O-CE 3.42Å; S200-K382 WeakPolarHBondContact O-CG 3.23Å; I201-K382 HydrophobicContact CG1-CG 4.41Å; I201-K382 WeakPolarHBondContact CG1-O 3.32Å; A204-K382 HydrophobicContact CB-CB 4.37Å; A204-K382 HydrophobicContact CB-CG 4.25Å; M247-K382 HydrophobicContact SD-CD 3.91Å; M361-K382 HydrophobicContact CE-CB 4.18Å; G365-K382 WeakPolarHBondContact O-CD 3.46Å; G365-K382 PolarHBondContact O-NZ 3.36Å; K382-M389 CarbonylContact O-C 3.51Å; K382-M389 WeakPolarHBondContact O-CA 3.38Å; K382-I390 HydrophobicContact CB-CD1 4.47Å; K382-I390 HydrophobicContact CB-CG1 3.99Å; K382-I390 PolarHBondContact N-O 3.47Å; K382-I390 PolarHBondContact O-N 2.81Å
383	S	96.7	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	155.2	176.9	-172.2	0	0	0	0	112.1	G365 Y367 N411	G365-S383 PolarHBondContact O-N 2.9Å; Y367-S383 PolarHBondContact OH-O 2.82Å; S383-N411 WeakPolarHBondContact CB-OD1 3.26Å; S383-N411 PolarHBondContact OG-OD1 2.98Å
384	A	94.3	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	141.6	177.6	0	0	0	0	0	111.3	L198 Q199 I201 S386 G387 A388	L198-A384 WeakPolarHBondContact O-CB 3.24Å; Q199-A384 HydrophobicContact CB-CB 3.89Å; I201-A384 HydrophobicContact CD1-CB 3.87Å; I201-A384 HydrophobicContact CG1-CB 3.83Å; A384-S386 PolarHBondContact O-N 2.91Å; A384-S386 VanDerWaalsContact O-N 3.1Å; A384-G387 PolarHBondContact O-N 3.16Å; A384-A388 HydrophobicContact CB-CB 4.39Å; A384-A388 PolarHBondContact N-O 3.17Å; A384-A388 PolarHBondContact O-N 3.17Å
385	V	92	Very high	97.1	Very high	12 Å²	12	22.6 Å²	22.6	7%	0.073	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.4	179.2	-59.3	0	0	0	0	114.5	A161 Y163 L167 Q199 Y367 G387 L406	A161-V385 WeakPolarHBondContact CB-O 3.49Å; Y163-V385 WeakPolarHBondContact OH-CB 3.4Å; Y163-V385 VanDerWaalsContact OH-CG1 3.23Å; Y163-V385 WeakPolarHBondContact OH-CG1 3.09Å; Y163-V385 WeakPolarHBondContact OH-CG2 3.44Å; L167-V385 HydrophobicContact CD1-CG2 4.1Å; Q199-V385 HydrophobicContact CB-CG2 4.17Å; Q199-V385 HydrophobicContact CG-CG2 4.1Å; Y367-V385 WeakPolarHBondContact OH-CG1 3.5Å; V385-G387 PolarHBondContact O-N 3.03Å; V385-L406 HydrophobicContact CB-CD1 4.28Å
386	S	93.3	Very high	97.3	Very high	9 Å²	9	14.4 Å²	14.4	6%	0.063	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-0.4	166.1	48.7	0	0	0	0	113.2	C197 A384 A388 W402	C197-S386 VanDerWaalsContact O-CB 3.28Å; C197-S386 WeakPolarHBondContact O-CB 3.34Å; C197-S386 PolarHBondContact O-OG 2.67Å; A384-S386 PolarHBondContact O-N 2.91Å; A384-S386 VanDerWaalsContact O-N 3.1Å; S386-A388 VanDerWaalsContact C-N 3.32Å; S386-W402 PolarHBondContact O-NE1 3.13Å
387	G	96.6	Very high	97.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	13.8	-173.3	0	0	0	0	0	113.5	A384 V385 W402 S403 T412	A384-G387 PolarHBondContact O-N 3.16Å; V385-G387 PolarHBondContact O-N 3.03Å; G387-W402 WeakPolarHBondContact O-CA 3.28Å; G387-S403 CarbonylContact C-O 3.58Å; G387-S403 VanDerWaalsContact CA-O 3.26Å; G387-S403 WeakPolarHBondContact CA-O 3.33Å; G387-S403 CarbonylContact O-C 3.56Å; G387-S403 PolarHBondContact O-N 3.42Å; G387-T412 WeakPolarHBondContact O-CB 3.49Å; G387-T412 PolarHBondContact O-OG1 3.3Å
388	A	98.1	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	153.3	176.6	0	0	0	0	0	111.2	W196 I201 A384 S386 I401	W196-A388 HydrophobicContact CD2-CB 4.11Å; W196-A388 HydrophobicContact CE3-CB 3.56Å; W196-A388 HydrophobicContact CH2-CB 3.68Å; W196-A388 HydrophobicContact CZ2-CB 4.21Å; W196-A388 HydrophobicContact CZ3-CB 3.32Å; I201-A388 HydrophobicContact CD1-CB 3.71Å; A384-A388 HydrophobicContact CB-CB 4.39Å; A384-A388 PolarHBondContact N-O 3.17Å; A384-A388 PolarHBondContact O-N 3.17Å; S386-A388 VanDerWaalsContact C-N 3.32Å; A388-I401 CarbonylContact C-O 3.52Å; A388-I401 VanDerWaalsContact CA-O 3.26Å; A388-I401 WeakPolarHBondContact CA-O 3.25Å
389	M	98.4	Very high	97.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.6	161.6	66.4	-179.7	-66.6	0	0	110.7	M366 F373 A381 K382 I401 T412	M366-M389 HydrophobicContact CE-CE 3.66Å; M366-M389 HydrophobicContact CE-SD 4.24Å; M366-M389 HydrophobicContact SD-CE 4.02Å; F373-M389 HydrophobicContact CE2-CE 4.15Å; F373-M389 HydrophobicContact CZ-CE 3.92Å; A381-M389 HydrophobicContact CB-CE 3.93Å; K382-M389 CarbonylContact O-C 3.51Å; K382-M389 WeakPolarHBondContact O-CA 3.38Å; M389-I401 HydrophobicContact CG-CB 3.97Å; M389-I401 HydrophobicContact CG-CD1 4.2Å; M389-I401 PolarHBondContact N-O 3.01Å; M389-I401 PolarHBondContact O-N 2.8Å; M389-I401 HydrophobicContact SD-CD1 4.37Å; M389-T412 HydrophobicContact CB-CG2 4.08Å; M389-T412 HydrophobicContact CG-CG2 3.72Å; M389-T412 HydrophobicContact SD-CG2 3.7Å
390	I	98.8	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.1	163.7	59.4	167.9	0	0	0	109.9	I201 A328 A332 L335 M361 A381 K382 F399 A400	I201-I390 HydrophobicContact CD1-CG2 4.29Å; I201-I390 HydrophobicContact CG1-CG1 4.47Å; I201-I390 HydrophobicContact CG2-CD1 3.79Å; I201-I390 HydrophobicContact CG2-CG1 3.97Å; I201-I390 HydrophobicContact CG2-CG2 4.09Å; A328-I390 HydrophobicContact CB-CG2 4.45Å; A332-I390 HydrophobicContact CB-CB 4.07Å; A332-I390 HydrophobicContact CB-CG2 4.3Å; L335-I390 HydrophobicContact CD1-CD1 4.48Å; M361-I390 HydrophobicContact CE-CD1 3.96Å; M361-I390 HydrophobicContact CE-CG1 4.14Å; A381-I390 CarbonylContact C-O 3.52Å; A381-I390 WeakPolarHBondContact CA-O 3.49Å; A381-I390 WeakPolarHBondContact CB-O 3.44Å; K382-I390 HydrophobicContact CB-CD1 4.47Å; K382-I390 HydrophobicContact CB-CG1 3.99Å; K382-I390 PolarHBondContact N-O 3.47Å; K382-I390 PolarHBondContact O-N 2.81Å; I390-F399 VanDerWaalsContact CA-O 3.29Å; I390-F399 WeakPolarHBondContact CA-O 3.43Å; I390-A400 HydrophobicContact CG2-CB 4.28Å
391	L	98.7	Very high	97.6	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.3	176.3	-177.9	72.6	0	0	0	107.8	F373 V377 L379 A381 G398 F399 A419 L422	F373-L391 HydrophobicContact CE1-CD1 4.12Å; F373-L391 HydrophobicContact CZ-CD1 4.02Å; V377-L391 HydrophobicContact CG1-CD1 4.46Å; L379-L391 HydrophobicContact CB-CD1 3.61Å; L379-L391 HydrophobicContact CB-CG 4.39Å; L379-L391 HydrophobicContact CD1-CD1 4.07Å; L379-L391 HydrophobicContact CD1-CD2 3.98Å; L379-L391 HydrophobicContact CD1-CG 4.15Å; A381-L391 HydrophobicContact CB-CD1 3.88Å; L391-G398 WeakPolarHBondContact O-CA 3.38Å; L391-F399 HydrophobicContact CB-CB 4.21Å; L391-F399 PolarHBondContact N-O 2.68Å; L391-F399 PolarHBondContact O-N 3.34Å; L391-A419 HydrophobicContact CD2-CB 4.15Å; L391-L422 HydrophobicContact CD2-CD2 3.92Å
392	V	98.9	Very high	97.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	-177.6	-179.3	0	0	0	0	108.7	A332 L335 A336 L358 M361 P380 P394	A332-V392 HydrophobicContact CB-CG2 4.18Å; L335-V392 HydrophobicContact CB-CG1 4.47Å; L335-V392 HydrophobicContact CB-CG2 4.24Å; L335-V392 HydrophobicContact CD1-CG2 4.45Å; A336-V392 HydrophobicContact CB-CG1 3.79Å; L358-V392 HydrophobicContact CD1-CG1 4.46Å; L358-V392 HydrophobicContact CD2-CB 3.9Å; L358-V392 HydrophobicContact CD2-CG1 3.7Å; L358-V392 HydrophobicContact CD2-CG2 4.1Å; M361-V392 HydrophobicContact CE-CG2 3.89Å; P380-V392 HydrophobicContact CB-CB 4.46Å; P380-V392 WeakPolarHBondContact CD-O 3.28Å; P380-V392 PolarHBondContact O-N 3.14Å; V392-P394 WeakPolarHBondContact O-CD 3.46Å
393	I	98.6	Very high	97.6	Very high	6 Å²	6	9.6 Å²	9.6	3%	0.031	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	101.9	166.6	-56.6	96.9	0	0	0	106.7	L379 N395 V396 M397 F399 F428	L379-I393 HydrophobicContact CD1-CG1 3.84Å; L379-I393 HydrophobicContact CD2-CB 4.43Å; L379-I393 HydrophobicContact CD2-CG1 3.97Å; L379-I393 HydrophobicContact CD2-CG2 4.37Å; I393-N395 PolarHBondContact O-N 3.06Å; I393-V396 HydrophobicContact CB-CB 4.16Å; I393-V396 HydrophobicContact CG2-CB 3.74Å; I393-V396 HydrophobicContact CG2-CG1 4.4Å; I393-V396 HydrophobicContact CG2-CG2 3.87Å; I393-V396 PolarHBondContact O-N 2.99Å; I393-M397 HydrophobicContact CB-CG 4.23Å; I393-M397 HydrophobicContact CD1-CG 3.61Å; I393-M397 HydrophobicContact CD1-SD 4.42Å; I393-M397 HydrophobicContact CG1-CG 4.42Å; I393-M397 PolarHBondContact N-O 2.89Å; I393-M397 PolarHBondContact O-N 3.3Å; I393-F399 HydrophobicContact CD1-CD2 3.61Å; I393-F399 HydrophobicContact CD1-CE2 3.7Å; I393-F428 HydrophobicContact CG1-CB 4.5Å; I393-F428 HydrophobicContact CG1-CG 4.38Å; I393-F428 HydrophobicContact CG2-CD1 4.04Å; I393-F428 HydrophobicContact CG2-CG 4.38Å
394	P	98.2	Very high	97.6	Very high	37 Å²	37	9.8 Å²	9.8	24%	0.24	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	135.8	-172.8	-25.6	34.7	0	0	0	112.3	L358 P380 V392 V396	L358-P394 HydrophobicContact CD1-CG 4.26Å; P380-P394 HydrophobicContact CG-CG 4.45Å; V392-P394 WeakPolarHBondContact O-CD 3.46Å; P394-V396 PolarHBondContact O-N 2.88Å
395	N	97.5	Very high	97.8	Very high	125 Å²	125	11.6 Å²	11.6	67%	0.668	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	11	-177.4	-44.2	-63.2	0	0	0	115.3	A336 I393	A336-N395 WeakPolarHBondContact O-CA 3.25Å; A336-N395 PolarHBondContact O-N 2.92Å; I393-N395 PolarHBondContact O-N 3.06Å
396	V	98.3	Very high	98.1	Very high	4 Å²	4	11.7 Å²	11.7	2%	0.024	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-63.8	-176.6	-174	0	0	0	0	111.4	V134 I135 T181 V182 I393 P394 F428 R445	V134-V396 HydrophobicContact CG2-CB 4.48Å; V134-V396 HydrophobicContact CG2-CG1 4.16Å; I135-V396 HydrophobicContact CD1-CG1 4.16Å; T181-V396 CarbonylContact C-O 3.53Å; T181-V396 WeakPolarHBondContact CA-O 3.36Å; T181-V396 WeakPolarHBondContact CB-O 3.47Å; V182-V396 PolarHBondContact N-O 3.43Å; I393-V396 HydrophobicContact CB-CB 4.16Å; I393-V396 HydrophobicContact CG2-CB 3.74Å; I393-V396 HydrophobicContact CG2-CG1 4.4Å; I393-V396 HydrophobicContact CG2-CG2 3.87Å; I393-V396 PolarHBondContact O-N 2.99Å; P394-V396 PolarHBondContact O-N 2.88Å; V396-F428 HydrophobicContact CG1-CE1 4.31Å; V396-R445 HydrophobicContact CG1-CG 4.35Å
397	M	98.8	Very high	98.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	164.4	-173.6	64.2	-175.4	77.6	0	0	113.3	I135 F141 V179 C180 T181 I393 F399 F428	I135-M397 HydrophobicContact CD1-CE 3.43Å; I135-M397 VanDerWaalsContact CD1-CE 3.43Å; I135-M397 HydrophobicContact CG1-CE 3.6Å; F141-M397 HydrophobicContact CE1-CE 4.03Å; F141-M397 HydrophobicContact CE1-SD 4.07Å; F141-M397 HydrophobicContact CE2-CE 3.92Å; F141-M397 HydrophobicContact CE2-SD 4.33Å; F141-M397 HydrophobicContact CZ-CE 3.49Å; F141-M397 VanDerWaalsContact CZ-CE 3.49Å; F141-M397 HydrophobicContact CZ-SD 3.48Å; F141-M397 WeakPolarHBondContact CZ-SD 3.46Å; V179-M397 HydrophobicContact CG2-CB 4.22Å; V179-M397 HydrophobicContact CG2-CG 4.28Å; V179-M397 HydrophobicContact CG2-SD 3.59Å; V179-M397 VanDerWaalsContact CG2-SD 3.59Å; C180-M397 CarbonylContact O-C 3.53Å; C180-M397 WeakPolarHBondContact O-CA 3.36Å; C180-M397 VanDerWaalsContact O-CB 3.25Å; C180-M397 WeakPolarHBondContact O-CB 3.4Å; T181-M397 HydrophobicContact CG2-CB 4.15Å; T181-M397 HydrophobicContact CG2-CE 4.34Å; I393-M397 HydrophobicContact CB-CG 4.23Å; I393-M397 HydrophobicContact CD1-CG 3.61Å; I393-M397 HydrophobicContact CD1-SD 4.42Å; I393-M397 HydrophobicContact CG1-CG 4.42Å; I393-M397 PolarHBondContact N-O 2.89Å; I393-M397 PolarHBondContact O-N 3.3Å; M397-F399 HydrophobicContact CG-CD2 4.36Å; M397-F399 HydrophobicContact CG-CE2 3.96Å; M397-F399 HydrophobicContact SD-CD2 4.32Å; M397-F399 HydrophobicContact SD-CE2 3.41Å; M397-F399 WeakPolarHBondContact SD-CE2 3.31Å; M397-F399 HydrophobicContact SD-CZ 3.84Å; M397-F428 HydrophobicContact CE-CE1 4.48Å; M397-F428 HydrophobicContact CE-CZ 3.9Å; M397-F428 HydrophobicContact SD-CZ 4.38Å
398	G	98.9	Very high	98.1	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.4	167.6	0	0	0	0	0	111.6	V179 C180 L391	V179-G398 WeakPolarHBondContact CA-O 3.17Å; C180-G398 PolarHBondContact N-O 3.12Å; C180-G398 PolarHBondContact O-N 3.42Å; L391-G398 WeakPolarHBondContact O-CA 3.38Å
399	F	98.9	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.2	169.1	-74.9	-95.6	0	0	0	110.6	F141 V145 V177 A178 V179 I390 L391 I393 M397 I401 F418 L422	F141-F399 HydrophobicContact CZ-CZ 4.12Å; V145-F399 HydrophobicContact CG1-CE1 4.14Å; V145-F399 HydrophobicContact CG2-CZ 4.47Å; V177-F399 HydrophobicContact CG1-CD1 4.06Å; V177-F399 HydrophobicContact CG1-CE1 4.49Å; A178-F399 VanDerWaalsContact O-CA 3.31Å; A178-F399 WeakPolarHBondContact O-CA 3.44Å; V179-F399 HydrophobicContact CB-CD1 3.8Å; V179-F399 HydrophobicContact CB-CE1 3.6Å; V179-F399 HydrophobicContact CB-CG 4.41Å; V179-F399 HydrophobicContact CB-CZ 4.06Å; V179-F399 HydrophobicContact CG1-CE1 4.46Å; V179-F399 HydrophobicContact CG2-CD1 4.11Å; V179-F399 HydrophobicContact CG2-CD2 4.27Å; V179-F399 HydrophobicContact CG2-CE1 3.77Å; V179-F399 HydrophobicContact CG2-CE2 3.94Å; V179-F399 HydrophobicContact CG2-CG 4.36Å; V179-F399 HydrophobicContact CG2-CZ 3.68Å; I390-F399 VanDerWaalsContact CA-O 3.29Å; I390-F399 WeakPolarHBondContact CA-O 3.43Å; L391-F399 HydrophobicContact CB-CB 4.21Å; L391-F399 PolarHBondContact N-O 2.68Å; L391-F399 PolarHBondContact O-N 3.34Å; I393-F399 HydrophobicContact CD1-CD2 3.61Å; I393-F399 HydrophobicContact CD1-CE2 3.7Å; M397-F399 HydrophobicContact CG-CD2 4.36Å; M397-F399 HydrophobicContact CG-CE2 3.96Å; M397-F399 HydrophobicContact SD-CD2 4.32Å; M397-F399 HydrophobicContact SD-CE2 3.41Å; M397-F399 WeakPolarHBondContact SD-CE2 3.31Å; M397-F399 HydrophobicContact SD-CZ 3.84Å; F399-I401 HydrophobicContact CB-CG1 4.43Å; F399-F418 HydrophobicContact CD1-CE1 4.01Å; F399-F418 HydrophobicContact CD1-CZ 4.23Å; F399-F418 HydrophobicContact CE1-CE1 4.05Å; F399-F418 AromaticContact CE1-CZ 3.96Å; F399-F418 HydrophobicContact CE1-CZ 3.96Å; F399-L422 HydrophobicContact CD2-CD2 4.2Å; F399-L422 HydrophobicContact CE2-CD1 4.46Å; F399-L422 HydrophobicContact CE2-CD2 3.73Å; F399-L422 HydrophobicContact CZ-CD1 4.05Å; F399-L422 HydrophobicContact CZ-CD2 4.1Å
400	A	98.9	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.7	159.6	0	0	0	0	0	109.1	V177 A178 C325 A328 I390	V177-A400 WeakPolarHBondContact CA-O 3.4Å; A178-A400 PolarHBondContact N-O 3.38Å; A178-A400 PolarHBondContact O-N 2.89Å; C325-A400 HydrophobicContact CB-CB 4.38Å; C325-A400 WeakPolarHBondContact O-CB 3.11Å; A328-A400 HydrophobicContact CB-CB 3.5Å; A328-A400 VanDerWaalsContact CB-CB 3.5Å; I390-A400 HydrophobicContact CG2-CB 4.28Å
401	I	98.7	Very high	97.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132	-173	-57.2	160	0	0	0	107.7	W175 V177 A388 M389 F399 F418	W175-I401 HydrophobicContact CE3-CG2 4.49Å; W175-I401 HydrophobicContact CH2-CG2 3.45Å; W175-I401 VanDerWaalsContact CH2-CG2 3.45Å; W175-I401 HydrophobicContact CZ3-CG2 3.34Å; V177-I401 HydrophobicContact CG1-CG1 4.34Å; V177-I401 HydrophobicContact CG2-CG1 4.32Å; V177-I401 HydrophobicContact CG2-CG2 4.06Å; A388-I401 CarbonylContact C-O 3.52Å; A388-I401 VanDerWaalsContact CA-O 3.26Å; A388-I401 WeakPolarHBondContact CA-O 3.25Å; M389-I401 HydrophobicContact CG-CB 3.97Å; M389-I401 HydrophobicContact CG-CD1 4.2Å; M389-I401 PolarHBondContact N-O 3.01Å; M389-I401 PolarHBondContact O-N 2.8Å; M389-I401 HydrophobicContact SD-CD1 4.37Å; F399-I401 HydrophobicContact CB-CG1 4.43Å; I401-F418 HydrophobicContact CD1-CD1 3.46Å; I401-F418 VanDerWaalsContact CD1-CD1 3.46Å; I401-F418 HydrophobicContact CD1-CE1 3.99Å; I401-F418 HydrophobicContact CD1-CG 4.24Å; I401-F418 HydrophobicContact CG1-CD1 4.15Å; I401-F418 HydrophobicContact CG1-CE1 4.41Å
402	W	98.5	Very high	97.3	Very high	8 Å²	8	27.4 Å²	27.4	3%	0.03	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	115.4	-178.8	-176.7	55.3	0	0	0	111.8	V170 H174 W175 G176 D191 L194 W196 S386 G387 P404	V170-W402 HydrophobicContact CG1-CH2 4.34Å; V170-W402 HydrophobicContact CG1-CZ2 3.88Å; H174-W402 HydrophobicContact CB-CE3 4.21Å; H174-W402 HydrophobicContact CB-CH2 3.89Å; H174-W402 HydrophobicContact CB-CZ3 3.69Å; H174-W402 AromaticContact CD2-CH2 3.61Å; H174-W402 AromaticContact CG-CH2 3.85Å; H174-W402 AromaticContact CG-CZ3 3.87Å; W175-W402 WeakPolarHBondContact CA-O 3.36Å; G176-W402 PolarHBondContact N-O 3.13Å; G176-W402 PolarHBondContact O-N 3.25Å; D191-W402 HydrophobicContact CB-CZ3 4.36Å; L194-W402 HydrophobicContact CB-CH2 4.23Å; L194-W402 HydrophobicContact CB-CZ3 3.71Å; L194-W402 HydrophobicContact CD1-CZ3 4.1Å; L194-W402 HydrophobicContact CG-CZ3 4.5Å; W196-W402 HydrophobicContact CB-CD2 4.27Å; W196-W402 HydrophobicContact CB-CZ2 3.83Å; W196-W402 AromaticContact CD1-CD2 3.29Å; W196-W402 AromaticContact CD1-CE2 3.62Å; W196-W402 AromaticContact CD1-CE3 3.56Å; W196-W402 AromaticContact CD1-CG 3.58Å; W196-W402 HydrophobicContact CD2-CG 4.22Å; W196-W402 AromaticContact CG-CD1 3.9Å; W196-W402 AromaticContact CG-CD2 3.83Å; W196-W402 HydrophobicContact CG-CD2 3.83Å; W196-W402 AromaticContact CG-CE2 3.74Å; W196-W402 HydrophobicContact CG-CE3 4.46Å; W196-W402 AromaticContact CG-CG 3.93Å; W196-W402 HydrophobicContact CG-CG 3.93Å; W196-W402 HydrophobicContact CG-CZ2 4.28Å; W196-W402 AromaticContact CG-NE1 3.8Å; W196-W402 HydrophobicContact CZ2-CB 4.47Å; W196-W402 AromaticContact NE1-CD2 3.78Å; W196-W402 AromaticContact NE1-CG 3.65Å; S386-W402 PolarHBondContact O-NE1 3.13Å; G387-W402 WeakPolarHBondContact O-CA 3.28Å; W402-P404 HydrophobicContact CZ2-CG 3.97Å
403	S	98.4	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.			trans	-143	113.5	169	173.2	0	0	0	0	108.6	W175 G387 R405 T412 R414	W175-S403 VanDerWaalsContact CE3-CB 3.5Å; G387-S403 CarbonylContact C-O 3.58Å; G387-S403 VanDerWaalsContact CA-O 3.26Å; G387-S403 WeakPolarHBondContact CA-O 3.33Å; G387-S403 CarbonylContact O-C 3.56Å; G387-S403 PolarHBondContact O-N 3.42Å; S403-R405 VanDerWaalsContact C-N 3.26Å; S403-R405 PolarHBondContact O-N 3.36Å; S403-R405 VanDerWaalsContact O-N 3.09Å; S403-T412 WeakPolarHBondContact CB-OG1 3.4Å; S403-T412 PolarHBondContact O-OG1 2.98Å; S403-R414 WeakPolarHBondContact OG-CD 3.38Å
404	P	97.9	Very high	97.3	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	-56.8	-28.3	-171.7	-31.7	39.3	0	0	0	116.4	V160 V170 D171 H174 W402 L406	V160-P404 HydrophobicContact CG1-CB 3.76Å; V170-P404 HydrophobicContact CG1-CB 3.94Å; V170-P404 HydrophobicContact CG1-CG 3.47Å; V170-P404 VanDerWaalsContact CG1-CG 3.47Å; D171-P404 WeakPolarHBondContact O-CG 3.47Å; H174-P404 HydrophobicContact CB-CG 4.04Å; H174-P404 WeakPolarHBondContact O-CD 3.13Å; W402-P404 HydrophobicContact CZ2-CG 3.97Å; P404-L406 PolarHBondContact O-N 2.85Å
405	R	98.1	Very high	97.3	Very high	39 Å²	39	26.4 Å²	26.4	15%	0.147	12%	0.122	C	C	.	.			trans	-68.9	124.6	179.7	-70.8	-174.8	175.8	96.8	-8.4	112.3	T156 E157 P172 N173 S403 T412 V413	T156-R405 WeakPolarHBondContact O-CD 3.44Å; T156-R405 PolarHBondContact O-NE 3.21Å; T156-R405 VanDerWaalsContact O-NE 3.14Å; E157-R405 WeakPolarHBondContact O-CB 3.39Å; E157-R405 VanDerWaalsContact O-CD 3.28Å; E157-R405 WeakPolarHBondContact O-CD 3.35Å; P172-R405 VanDerWaalsContact C-NH1 3.34Å; P172-R405 HydrophobicContact CB-CG 3.96Å; P172-R405 PolarHBondContact O-NH1 3.23Å; N173-R405 PolarHBondContact OD1-NH1 2.96Å; N173-R405 PolarHBondContact OD1-NH2 3.31Å; S403-R405 VanDerWaalsContact C-N 3.26Å; S403-R405 PolarHBondContact O-N 3.36Å; S403-R405 VanDerWaalsContact O-N 3.09Å; R405-T412 WeakPolarHBondContact O-CA 3.47Å; R405-V413 PolarHBondContact O-N 2.78Å
406	L	97.6	Very high	97.3	Very high	13 Å²	13	20.9 Å²	20.9	7%	0.068	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-104.1	145.2	178.3	-53.2	179.8	0	0	0	111.9	G158 K159 A161 V385 P404 N411	G158-L406 CarbonylContact C-O 3.55Å; G158-L406 WeakPolarHBondContact CA-O 3.36Å; K159-L406 PolarHBondContact N-O 3.4Å; K159-L406 VanDerWaalsContact N-O 3.08Å; K159-L406 PolarHBondContact O-N 2.9Å; A161-L406 HydrophobicContact CB-CD1 4.14Å; V385-L406 HydrophobicContact CB-CD1 4.28Å; P404-L406 PolarHBondContact O-N 2.85Å; L406-N411 CarbonylContact C-O 3.07Å; L406-N411 VanDerWaalsContact CA-O 3.23Å; L406-N411 WeakPolarHBondContact CA-O 3.23Å
407	D	96.4	Very high	97.3	Very high	48 Å²	48	23.1 Å²	23.1	26%	0.257	10%	0.103	S	C	.	.			trans	-71.6	178.9	165.5	72.7	12.3	0	0	0	111.5	L409 G410 N411 V413	D407-L409 PolarHBondContact O-N 3.08Å; D407-L409 VanDerWaalsContact O-N 3.15Å; D407-L409 VanDerWaalsContact OD1-C 3.3Å; D407-L409 VanDerWaalsContact OD1-CA 3.3Å; D407-L409 WeakPolarHBondContact OD1-CA 3.21Å; D407-L409 WeakPolarHBondContact OD1-CB 3.49Å; D407-L409 PolarHBondContact OD1-N 3.28Å; D407-G410 PolarHBondContact O-N 3.22Å; D407-G410 VanDerWaalsContact O-N 3.1Å; D407-G410 PolarHBondContact OD1-N 3.41Å; D407-N411 PolarHBondContact N-O 3.07Å; D407-N411 PolarHBondContact OD1-N 3.02Å; D407-V413 HydrophobicContact CB-CG2 4.05Å
408	R	94.1	Very high	97.3	Very high	240 Å²	240	23.1 Å²	23.1	91%	0.906	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.4	178.4	66.2	-179.2	177.6	159.6	-0.6	114.7
409	L	91.6	Very high	97.3	Very high	40 Å²	40	23.1 Å²	23.1	21%	0.209	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	3.4	179.5	-56.7	-179.7	0	0	0	111.8	Y367 D368 Y369 D407	Y367-L409 WeakPolarHBondContact CD2-O 3.44Å; D368-L409 HydrophobicContact CB-CD2 4.34Å; Y369-L409 HydrophobicContact CD2-CD1 4.05Å; Y369-L409 HydrophobicContact CG-CD1 4.3Å; D407-L409 PolarHBondContact O-N 3.08Å; D407-L409 VanDerWaalsContact O-N 3.15Å; D407-L409 VanDerWaalsContact OD1-C 3.3Å; D407-L409 VanDerWaalsContact OD1-CA 3.3Å; D407-L409 WeakPolarHBondContact OD1-CA 3.21Å; D407-L409 WeakPolarHBondContact OD1-CB 3.49Å; D407-L409 PolarHBondContact OD1-N 3.28Å
410	G	91.5	Very high	97.3	Very high	12 Å²	12	24.5 Å²	24.5	12%	0.124	11%	0.11	C	C	.	.	S	Bend	trans	83.4	12.1	179.1	0	0	0	0	0	114.5	Y367 D407	Y367-G410 WeakPolarHBondContact CE2-O 3.3Å; D407-G410 PolarHBondContact O-N 3.22Å; D407-G410 VanDerWaalsContact O-N 3.1Å; D407-G410 PolarHBondContact OD1-N 3.41Å
411	N	96.4	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.			trans	-95.4	145.7	177.9	-64.7	-64	0	0	0	111.9	M366 Y367 Y369 S383 L406 D407 V413 V416	M366-N411 HydrophobicContact CE-CB 4.41Å; M366-N411 PolarHBondContact O-ND2 3.47Å; M366-N411 VanDerWaalsContact O-ND2 3.14Å; Y367-N411 VanDerWaalsContact CD2-OD1 3.3Å; Y367-N411 WeakPolarHBondContact CD2-OD1 3.35Å; Y369-N411 WeakPolarHBondContact CB-ND2 3.44Å; S383-N411 WeakPolarHBondContact CB-OD1 3.26Å; S383-N411 PolarHBondContact OG-OD1 2.98Å; L406-N411 CarbonylContact C-O 3.07Å; L406-N411 VanDerWaalsContact CA-O 3.23Å; L406-N411 WeakPolarHBondContact CA-O 3.23Å; D407-N411 PolarHBondContact N-O 3.07Å; D407-N411 PolarHBondContact OD1-N 3.02Å; N411-V413 PolarHBondContact O-N 3.19Å; N411-V416 HydrophobicContact CB-CG2 3.96Å
412	T	98	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-61.4	122.7	175.2	177	0	0	0	0	111.5	G387 M389 S403 R405 G415 V416	G387-T412 WeakPolarHBondContact O-CB 3.49Å; G387-T412 PolarHBondContact O-OG1 3.3Å; M389-T412 HydrophobicContact CB-CG2 4.08Å; M389-T412 HydrophobicContact CG-CG2 3.72Å; M389-T412 HydrophobicContact SD-CG2 3.7Å; S403-T412 WeakPolarHBondContact CB-OG1 3.4Å; S403-T412 PolarHBondContact O-OG1 2.98Å; R405-T412 WeakPolarHBondContact O-CA 3.47Å; T412-G415 PolarHBondContact O-N 3.06Å; T412-G415 PolarHBondContact OG1-N 3.21Å; T412-V416 VanDerWaalsContact O-CG2 3.31Å; T412-V416 WeakPolarHBondContact O-CG2 3.38Å; T412-V416 PolarHBondContact O-N 3.2Å
413	V	98.3	Very high	97.1	Very high	11 Å²	11	25.9 Å²	25.9	7%	0.067	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-56.3	-175.4	176.7	0	0	0	0	110.4	E157 R405 D407 N411 G415 V416 Q417	E157-V413 HydrophobicContact CB-CG1 4.34Å; R405-V413 PolarHBondContact O-N 2.78Å; D407-V413 HydrophobicContact CB-CG2 4.05Å; N411-V413 PolarHBondContact O-N 3.19Å; V413-G415 VanDerWaalsContact C-N 3.32Å; V413-G415 PolarHBondContact O-N 2.95Å; V413-V416 PolarHBondContact O-N 3.05Å; V413-Q417 WeakPolarHBondContact O-CG 3.18Å; V413-Q417 PolarHBondContact O-N 3.42Å; V413-Q417 VanDerWaalsContact O-N 3.12Å
414	R	98.3	Very high	96.9	Very high	11 Å²	11	32.5 Å²	32.5	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-37.9	-179.5	-66.4	-174.6	178.2	153.7	-12.7	111.9	Q153 Y155 N173 W175 S403 Q417 F418	Q153-R414 PolarHBondContact O-NE 2.62Å; Q153-R414 PolarHBondContact O-NH2 2.81Å; Y155-R414 WeakPolarHBondContact O-CG 3.1Å; Y155-R414 PolarHBondContact O-NE 2.91Å; N173-R414 PolarHBondContact O-NH1 2.82Å; W175-R414 HydrophobicContact CD2-CB 4.34Å; W175-R414 HydrophobicContact CE3-CB 3.93Å; W175-R414 HydrophobicContact CH2-CB 3.49Å; W175-R414 VanDerWaalsContact CH2-CB 3.49Å; W175-R414 HydrophobicContact CZ2-CB 3.96Å; W175-R414 HydrophobicContact CZ3-CB 3.46Å; W175-R414 VanDerWaalsContact CZ3-CB 3.46Å; S403-R414 WeakPolarHBondContact OG-CD 3.38Å; R414-Q417 PolarHBondContact O-N 3.31Å; R414-F418 VanDerWaalsContact O-CB 3.31Å; R414-F418 WeakPolarHBondContact O-CB 3.49Å; R414-F418 PolarHBondContact O-N 3.28Å
415	G	98.3	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-39.2	179.8	0	0	0	0	0	113.2	T412 V413 F418 A419	T412-G415 PolarHBondContact O-N 3.06Å; T412-G415 PolarHBondContact OG1-N 3.21Å; V413-G415 VanDerWaalsContact C-N 3.32Å; V413-G415 PolarHBondContact O-N 2.95Å; G415-F418 PolarHBondContact O-N 2.85Å; G415-A419 WeakPolarHBondContact O-CB 3.06Å; G415-A419 PolarHBondContact O-N 2.93Å
416	V	98.4	Very high	96.7	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-43.5	173.6	172.3	0	0	0	0	111.2	M366 Y369 N411 T412 V413 F418 A419 M420	M366-V416 HydrophobicContact CE-CG2 3.92Å; Y369-V416 HydrophobicContact CE1-CG1 3.91Å; N411-V416 HydrophobicContact CB-CG2 3.96Å; T412-V416 VanDerWaalsContact O-CG2 3.31Å; T412-V416 WeakPolarHBondContact O-CG2 3.38Å; T412-V416 PolarHBondContact O-N 3.2Å; V413-V416 PolarHBondContact O-N 3.05Å; V416-F418 PolarHBondContact O-N 3.4Å; V416-A419 PolarHBondContact O-N 3.07Å; V416-M420 HydrophobicContact CG1-CE 3.66Å; V416-M420 HydrophobicContact CG1-SD 4.4Å; V416-M420 WeakPolarHBondContact O-CG 3.41Å; V416-M420 PolarHBondContact O-N 3.47Å
417	Q	98.3	Very high	96.5	Very high	51 Å²	51	34 Å²	34	24%	0.238	16%	0.157	C	C	.	.	H	α-helix	trans	-64.6	-38.9	177	-65.3	-57.7	-27.7	0	0	112.5	T152 Y155 V413 R414 M420 S421	T152-Q417 HydrophobicContact CG2-CB 4.09Å; Y155-Q417 HydrophobicContact CD1-CG 3.99Å; Y155-Q417 HydrophobicContact CD2-CB 4.13Å; Y155-Q417 HydrophobicContact CD2-CG 4.03Å; Y155-Q417 HydrophobicContact CE1-CG 4Å; Y155-Q417 HydrophobicContact CE2-CB 4.1Å; Y155-Q417 HydrophobicContact CE2-CG 4.07Å; Y155-Q417 HydrophobicContact CG-CG 4Å; V413-Q417 WeakPolarHBondContact O-CG 3.18Å; V413-Q417 PolarHBondContact O-N 3.42Å; V413-Q417 VanDerWaalsContact O-N 3.12Å; R414-Q417 PolarHBondContact O-N 3.31Å; Q417-M420 PolarHBondContact O-N 2.98Å; Q417-S421 WeakPolarHBondContact O-CB 3.35Å; Q417-S421 PolarHBondContact O-N 2.93Å; Q417-S421 PolarHBondContact O-OG 3.49Å
418	F	98.7	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-48.1	173.4	179.7	-82.5	0	0	0	111	V145 I148 T152 W175 V177 F399 I401 R414 G415 V416 M420 S421 L422	V145-F418 HydrophobicContact CG1-CE2 4.29Å; V145-F418 HydrophobicContact CG1-CZ 3.92Å; I148-F418 HydrophobicContact CB-CD2 4.47Å; I148-F418 HydrophobicContact CB-CE2 4.23Å; I148-F418 HydrophobicContact CG2-CD2 3.6Å; I148-F418 HydrophobicContact CG2-CE2 3.79Å; I148-F418 HydrophobicContact CG2-CG 4.19Å; T152-F418 HydrophobicContact CG2-CB 4.42Å; W175-F418 HydrophobicContact CH2-CB 4.12Å; W175-F418 HydrophobicContact CZ2-CB 4.37Å; W175-F418 HydrophobicContact CZ2-CD2 4.29Å; V177-F418 HydrophobicContact CG1-CE1 4.27Å; V177-F418 HydrophobicContact CG1-CE2 4.07Å; V177-F418 HydrophobicContact CG1-CZ 3.76Å; V177-F418 HydrophobicContact CG2-CD2 4.27Å; V177-F418 HydrophobicContact CG2-CE2 4.2Å; F399-F418 HydrophobicContact CD1-CE1 4.01Å; F399-F418 HydrophobicContact CD1-CZ 4.23Å; F399-F418 HydrophobicContact CE1-CE1 4.05Å; F399-F418 AromaticContact CE1-CZ 3.96Å; F399-F418 HydrophobicContact CE1-CZ 3.96Å; I401-F418 HydrophobicContact CD1-CD1 3.46Å; I401-F418 VanDerWaalsContact CD1-CD1 3.46Å; I401-F418 HydrophobicContact CD1-CE1 3.99Å; I401-F418 HydrophobicContact CD1-CG 4.24Å; I401-F418 HydrophobicContact CG1-CD1 4.15Å; I401-F418 HydrophobicContact CG1-CE1 4.41Å; R414-F418 VanDerWaalsContact O-CB 3.31Å; R414-F418 WeakPolarHBondContact O-CB 3.49Å; R414-F418 PolarHBondContact O-N 3.28Å; G415-F418 PolarHBondContact O-N 2.85Å; V416-F418 PolarHBondContact O-N 3.4Å; F418-M420 VanDerWaalsContact C-N 3.33Å; F418-M420 PolarHBondContact O-N 2.97Å; F418-S421 PolarHBondContact O-N 3.47Å; F418-L422 HydrophobicContact CE1-CD1 4.38Å; F418-L422 HydrophobicContact CE1-CD2 4.42Å; F418-L422 HydrophobicContact CZ-CD1 4.48Å; F418-L422 VanDerWaalsContact O-CB 3.31Å; F418-L422 WeakPolarHBondContact O-CB 3.49Å; F418-L422 PolarHBondContact O-N 3.4Å
419	A	98.6	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-38.8	179.3	0	0	0	0	0	112.6	F373 V377 L391 G415 V416 V423	F373-A419 HydrophobicContact CE2-CB 4.06Å; F373-A419 HydrophobicContact CZ-CB 3.92Å; V377-A419 HydrophobicContact CG1-CB 4.11Å; V377-A419 HydrophobicContact CG2-CB 4.34Å; L391-A419 HydrophobicContact CD2-CB 4.15Å; G415-A419 WeakPolarHBondContact O-CB 3.06Å; G415-A419 PolarHBondContact O-N 2.93Å; V416-A419 PolarHBondContact O-N 3.07Å; A419-V423 PolarHBondContact O-N 3.07Å
420	M	98.1	Very high	96.5	Very high	29 Å²	29	24 Å²	24	14%	0.143	12%	0.12	C	C	.	.	H	α-helix	trans	-63.4	-51.5	173.6	-70.2	176.2	-179.6	0	0	111.7	Y369 K376 V377 V416 Q417 F418 L422 V423 E424	Y369-M420 HydrophobicContact CE1-CE 4.24Å; Y369-M420 WeakPolarHBondContact OH-CE 3.38Å; K376-M420 HydrophobicContact CD-CE 4.01Å; V377-M420 HydrophobicContact CG2-CG 3.93Å; V416-M420 HydrophobicContact CG1-CE 3.66Å; V416-M420 HydrophobicContact CG1-SD 4.4Å; V416-M420 WeakPolarHBondContact O-CG 3.41Å; V416-M420 PolarHBondContact O-N 3.47Å; Q417-M420 PolarHBondContact O-N 2.98Å; F418-M420 VanDerWaalsContact C-N 3.33Å; F418-M420 PolarHBondContact O-N 2.97Å; M420-L422 PolarHBondContact O-N 3.24Å; M420-V423 WeakPolarHBondContact O-CG2 3.3Å; M420-V423 PolarHBondContact O-N 3.45Å; M420-E424 WeakPolarHBondContact O-CG 3.34Å; M420-E424 PolarHBondContact O-N 3.13Å
421	S	97.9	Very high	96.5	Very high	31 Å²	31	31.9 Å²	31.9	22%	0.217	15%	0.147	C	C	.	.	H	α-helix	trans	-60.6	-34.1	179.5	-59.3	0	0	0	0	112.1	I148 Q417 F418 E424 R425	I148-S421 VanDerWaalsContact CG2-CB 3.48Å; Q417-S421 WeakPolarHBondContact O-CB 3.35Å; Q417-S421 PolarHBondContact O-N 2.93Å; Q417-S421 PolarHBondContact O-OG 3.49Å; F418-S421 PolarHBondContact O-N 3.47Å; S421-E424 PolarHBondContact O-N 3.42Å; S421-R425 WeakPolarHBondContact O-CB 3.49Å; S421-R425 PolarHBondContact O-N 3.07Å
422	L	98.1	Very high	96.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-62.7	-47.3	177	-170.4	76.9	0	0	0	111.9	V145 I148 L391 F399 F418 M420 E424 R425 F426 F428	V145-L422 HydrophobicContact CG2-CD1 4.4Å; I148-L422 HydrophobicContact CD1-CD1 4.08Å; L391-L422 HydrophobicContact CD2-CD2 3.92Å; F399-L422 HydrophobicContact CD2-CD2 4.2Å; F399-L422 HydrophobicContact CE2-CD1 4.46Å; F399-L422 HydrophobicContact CE2-CD2 3.73Å; F399-L422 HydrophobicContact CZ-CD1 4.05Å; F399-L422 HydrophobicContact CZ-CD2 4.1Å; F418-L422 HydrophobicContact CE1-CD1 4.38Å; F418-L422 HydrophobicContact CE1-CD2 4.42Å; F418-L422 HydrophobicContact CZ-CD1 4.48Å; F418-L422 VanDerWaalsContact O-CB 3.31Å; F418-L422 WeakPolarHBondContact O-CB 3.49Å; F418-L422 PolarHBondContact O-N 3.4Å; M420-L422 PolarHBondContact O-N 3.24Å; L422-E424 VanDerWaalsContact C-N 3.34Å; L422-R425 PolarHBondContact O-N 3.44Å; L422-F426 HydrophobicContact CD1-CD2 3.76Å; L422-F426 HydrophobicContact CD1-CE2 3.95Å; L422-F426 HydrophobicContact CG-CD2 4.3Å; L422-F426 WeakPolarHBondContact O-CB 3.23Å; L422-F426 PolarHBondContact O-N 3.39Å; L422-F428 HydrophobicContact CD1-CE2 4.3Å; L422-F428 HydrophobicContact CD2-CD2 4.1Å; L422-F428 HydrophobicContact CD2-CE2 4.35Å; L422-F428 HydrophobicContact CG-CD2 3.99Å; L422-F428 HydrophobicContact CG-CE2 4.19Å
423	V	96.2	Very high	95.3	Very high	6 Å²	6	36 Å²	36	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-79.2	-17.8	-179.7	-59.3	0	0	0	0	113.3	V377 L379 A419 M420 F426 F428 K441	V377-V423 HydrophobicContact CG1-CG1 3.86Å; V377-V423 HydrophobicContact CG1-CG2 4.44Å; V377-V423 WeakPolarHBondContact O-CG1 3.4Å; L379-V423 HydrophobicContact CD1-CG1 3.74Å; L379-V423 HydrophobicContact CG-CG1 4.43Å; A419-V423 PolarHBondContact O-N 3.07Å; M420-V423 WeakPolarHBondContact O-CG2 3.3Å; M420-V423 PolarHBondContact O-N 3.45Å; V423-F426 CarbonylContact C-O 3.57Å; V423-F428 HydrophobicContact CG1-CB 4.34Å; V423-K441 WeakPolarHBondContact O-CE 3.36Å; V423-K441 PolarHBondContact O-NZ 2.83Å
424	E	94.6	Very high	94.2	Very high	140 Å²	140	38.9 Å²	38.9	65%	0.654	19%	0.188	S	C	*	.	H	α-helix	trans	-73.9	-36.3	168.5	-74.6	176.8	179.4	0	0	111.5	M420 S421 L422	M420-E424 WeakPolarHBondContact O-CG 3.34Å; M420-E424 PolarHBondContact O-N 3.13Å; S421-E424 PolarHBondContact O-N 3.42Å; L422-E424 VanDerWaalsContact C-N 3.34Å
425	R	95.5	Very high	93.1	Very high	79 Å²	79	44.1 Å²	44.1	30%	0.298	22%	0.221	S	C	.	.	H	α-helix	trans	-80.5	-43	178.1	-175.5	65.3	62.5	94.1	2.6	112.6	E144 E147 I148 S421 L422 K441 I442	E144-R425 IonicContact OE2-CZ 2.87Å; E144-R425 IonicContact OE2-NH1 2.85Å; E144-R425 PolarHBondContact OE2-NH1 2.87Å; E147-R425 IonicContact OE2-CZ 2.73Å; E147-R425 IonicContact OE2-NH1 3.66Å; E147-R425 PolarHBondContact OE2-NH1 3.47Å; E147-R425 IonicContact OE2-NH2 3.69Å; I148-R425 HydrophobicContact CD1-CB 4Å; I148-R425 HydrophobicContact CD1-CG 4.27Å; S421-R425 WeakPolarHBondContact O-CB 3.49Å; S421-R425 PolarHBondContact O-N 3.07Å; L422-R425 PolarHBondContact O-N 3.44Å; R425-K441 WeakPolarHBondContact O-CA 3.27Å; R425-I442 PolarHBondContact O-N 2.85Å
426	F	95.6	Very high	91.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.009	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-115	148.9	-173.1	-61.9	-75.2	0	0	0	112.7	F141 E144 V145 I148 L422 V423 F428 I442 P444	F141-F426 AromaticContact CD2-CE1 3.87Å; F141-F426 HydrophobicContact CD2-CE1 3.87Å; F141-F426 HydrophobicContact CD2-CE2 4.41Å; F141-F426 AromaticContact CD2-CZ 3.69Å; F141-F426 HydrophobicContact CD2-CZ 3.69Å; F141-F426 HydrophobicContact CE2-CE1 4.15Å; F141-F426 HydrophobicContact CE2-CE2 4.05Å; F141-F426 AromaticContact CE2-CZ 3.78Å; F141-F426 HydrophobicContact CE2-CZ 3.78Å; E144-F426 HydrophobicContact CB-CE1 4.33Å; E144-F426 HydrophobicContact CB-CE2 4.31Å; E144-F426 HydrophobicContact CB-CZ 3.55Å; E144-F426 HydrophobicContact CG-CZ 4.3Å; V145-F426 HydrophobicContact CG2-CE2 4.07Å; V145-F426 HydrophobicContact CG2-CZ 4.37Å; I148-F426 HydrophobicContact CD1-CE2 4.18Å; L422-F426 HydrophobicContact CD1-CD2 3.76Å; L422-F426 HydrophobicContact CD1-CE2 3.95Å; L422-F426 HydrophobicContact CG-CD2 4.3Å; L422-F426 WeakPolarHBondContact O-CB 3.23Å; L422-F426 PolarHBondContact O-N 3.39Å; V423-F426 CarbonylContact C-O 3.57Å; F426-F428 HydrophobicContact CB-CD1 4.36Å; F426-F428 HydrophobicContact CB-CD2 3.45Å; F426-F428 VanDerWaalsContact CB-CD2 3.45Å; F426-F428 HydrophobicContact CB-CE1 4.41Å; F426-F428 HydrophobicContact CB-CE2 3.5Å; F426-F428 VanDerWaalsContact CB-CE2 3.5Å; F426-F428 HydrophobicContact CB-CG 3.91Å; F426-F428 HydrophobicContact CB-CZ 4.01Å; F426-F428 HydrophobicContact CD2-CD2 4.29Å; F426-F428 AromaticContact CD2-CE2 3.79Å; F426-F428 HydrophobicContact CD2-CE2 3.79Å; F426-F428 HydrophobicContact CG-CD2 4.14Å; F426-F428 AromaticContact CG-CE2 3.71Å; F426-F428 HydrophobicContact CG-CE2 3.71Å; F426-F428 HydrophobicContact CG-CZ 4.17Å; F426-F428 PolarHBondContact O-N 3.42Å; F426-I442 CarbonylContact C-O 3.51Å; F426-I442 WeakPolarHBondContact CA-O 3.46Å; F426-I442 HydrophobicContact CD1-CB 3.83Å; F426-I442 HydrophobicContact CD1-CG2 4.06Å; F426-I442 HydrophobicContact CE1-CB 4.15Å; F426-I442 HydrophobicContact CE1-CG2 4.1Å; F426-P444 HydrophobicContact CD1-CB 4.1Å; F426-P444 HydrophobicContact CD1-CG 3.82Å; F426-P444 HydrophobicContact CE1-CB 4.07Å; F426-P444 HydrophobicContact CE1-CG 4.23Å; F426-P444 HydrophobicContact CG-CG 4.5Å
427	S	93.1	Very high	90.2	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.042	27%	0.27	C	S	.	.	S	Bend	trans	-75.5	61.6	175	-57.8	0	0	0	0	112	D432 K441 I442	S427-D432 VanDerWaalsContact CA-OD2 3.28Å; S427-D432 WeakPolarHBondContact CA-OD2 3.42Å; S427-K441 WeakPolarHBondContact OG-CB 3.25Å; S427-I442 PolarHBondContact N-O 3.19Å
428	F	95.6	Very high	88.5	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.035	29%	0.286	C	S	.	.			trans	-104.9	-15.3	-178.3	-69.8	-33.2	0	0	0	114.2	F141 L379 I393 V396 M397 L422 V423 F426 N430 D432 P444	F141-F428 HydrophobicContact CE2-CE2 4.28Å; F141-F428 HydrophobicContact CE2-CZ 4.01Å; L379-F428 HydrophobicContact CD1-CB 4.32Å; L379-F428 VanDerWaalsContact CD2-O 3.23Å; L379-F428 WeakPolarHBondContact CD2-O 3.12Å; I393-F428 HydrophobicContact CG1-CB 4.5Å; I393-F428 HydrophobicContact CG1-CG 4.38Å; I393-F428 HydrophobicContact CG2-CD1 4.04Å; I393-F428 HydrophobicContact CG2-CG 4.38Å; V396-F428 HydrophobicContact CG1-CE1 4.31Å; M397-F428 HydrophobicContact CE-CE1 4.48Å; M397-F428 HydrophobicContact CE-CZ 3.9Å; M397-F428 HydrophobicContact SD-CZ 4.38Å; L422-F428 HydrophobicContact CD1-CE2 4.3Å; L422-F428 HydrophobicContact CD2-CD2 4.1Å; L422-F428 HydrophobicContact CD2-CE2 4.35Å; L422-F428 HydrophobicContact CG-CD2 3.99Å; L422-F428 HydrophobicContact CG-CE2 4.19Å; V423-F428 HydrophobicContact CG1-CB 4.34Å; F426-F428 HydrophobicContact CB-CD1 4.36Å; F426-F428 HydrophobicContact CB-CD2 3.45Å; F426-F428 VanDerWaalsContact CB-CD2 3.45Å; F426-F428 HydrophobicContact CB-CE1 4.41Å; F426-F428 HydrophobicContact CB-CE2 3.5Å; F426-F428 VanDerWaalsContact CB-CE2 3.5Å; F426-F428 HydrophobicContact CB-CG 3.91Å; F426-F428 HydrophobicContact CB-CZ 4.01Å; F426-F428 HydrophobicContact CD2-CD2 4.29Å; F426-F428 AromaticContact CD2-CE2 3.79Å; F426-F428 HydrophobicContact CD2-CE2 3.79Å; F426-F428 HydrophobicContact CG-CD2 4.14Å; F426-F428 AromaticContact CG-CE2 3.71Å; F426-F428 HydrophobicContact CG-CE2 3.71Å; F426-F428 HydrophobicContact CG-CZ 4.17Å; F426-F428 PolarHBondContact O-N 3.42Å; F428-N430 PolarHBondContact O-N 3.15Å; F428-D432 PolarHBondContact N-OD2 3.01Å; F428-P444 HydrophobicContact CE1-CG 3.52Å; F428-P444 HydrophobicContact CE2-CG 4.49Å; F428-P444 HydrophobicContact CZ-CG 3.42Å; F428-P444 VanDerWaalsContact CZ-CG 3.42Å
429	H	94.7	Very high	86.8	Confident	33 Å²	33	61.5 Å²	61.5	15%	0.153	33%	0.325	C	S	.	.	S	Bend	trans	-58.9	136.8	176.3	-165.1	-69.2	0	0	0	108.7	F375 V377 G378 Y431 D432	F375-H429 PolarHBondContact O-NE2 3.4Å; V377-H429 VanDerWaalsContact C-CD2 3.45Å; V377-H429 PolarHBondContact O-CD2 2.89Å; V377-H429 VanDerWaalsContact O-CD2 3.22Å; G378-H429 VanDerWaalsContact CA-NE2 3.34Å; G378-H429 WeakPolarHBondContact CA-NE2 3.29Å; H429-Y431 AromaticContact CE1-CD2 3.57Å; H429-Y431 AromaticContact ND1-CD2 3.81Å; H429-Y431 PolarHBondContact ND1-N 3.06Å; H429-Y431 PolarHBondContact O-N 2.84Å; H429-D432 HydrophobicContact CB-CB 4.35Å; H429-D432 WeakPolarHBondContact CB-OD2 3.25Å; H429-D432 PolarHBondContact N-OD2 3.26Å; H429-D432 WeakPolarHBondContact O-CB 3.37Å; H429-D432 PolarHBondContact O-N 3.46Å
430	N	92.4	Very high	86	Confident	78 Å²	78	68.1 Å²	68.1	42%	0.417	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-12.5	-178.4	-77.1	-14.6	0	0	0	115	G378 F428	G378-N430 WeakPolarHBondContact O-CB 3.27Å; G378-N430 PolarHBondContact O-N 3.46Å; G378-N430 PolarHBondContact O-ND2 2.89Å; G378-N430 VanDerWaalsContact O-ND2 3.1Å; G378-N430 PolarHBondContact O-OD1 2.82Å; F428-N430 PolarHBondContact O-N 3.15Å
431	Y	90.8	Very high	85.6	Confident	177 Å²	177	69 Å²	69	69%	0.694	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	8.5	-178.5	-53.5	-55.4	0	0	0	112.7	H429 S433	H429-Y431 AromaticContact CE1-CD2 3.57Å; H429-Y431 AromaticContact ND1-CD2 3.81Å; H429-Y431 PolarHBondContact ND1-N 3.06Å; H429-Y431 PolarHBondContact O-N 2.84Å; Y431-S433 PolarHBondContact O-N 2.89Å
432	D	88.9	Confident	85.3	Confident	33 Å²	33	69.4 Å²	69.4	18%	0.176	36%	0.363	C	S	.	.			trans	-63.8	129.8	170.6	-80.4	-32.5	0	0	0	109.3	S427 F428 H429 L434 K441	S427-D432 VanDerWaalsContact CA-OD2 3.28Å; S427-D432 WeakPolarHBondContact CA-OD2 3.42Å; F428-D432 PolarHBondContact N-OD2 3.01Å; H429-D432 HydrophobicContact CB-CB 4.35Å; H429-D432 WeakPolarHBondContact CB-OD2 3.25Å; H429-D432 PolarHBondContact N-OD2 3.26Å; H429-D432 WeakPolarHBondContact O-CB 3.37Å; H429-D432 PolarHBondContact O-N 3.46Å; D432-L434 PolarHBondContact O-N 3.17Å; D432-K441 VanDerWaalsContact CG-NZ 3.3Å; D432-K441 IonicContact OD1-NZ 2.85Å; D432-K441 PolarHBondContact OD1-NZ 2.79Å; D432-K441 IonicContact OD2-NZ 2.78Å; D432-K441 PolarHBondContact OD2-NZ 3.31Å
433	S	80.6	Confident	84.8	Confident	52 Å²	52	70.7 Å²	70.7	36%	0.364	37%	0.369	S	S	.	.			trans	-75.8	122.8	177.6	-172.2	0	0	0	0	110.6	Y431 H436 A437	Y431-S433 PolarHBondContact O-N 2.89Å; S433-H436 PolarHBondContact OG-N 2.94Å; S433-A437 WeakPolarHBondContact O-CA 3.38Å; S433-A437 WeakPolarHBondContact O-CB 3.27Å; S433-A437 PolarHBondContact O-N 2.93Å
434	L	76.6	Confident	84.6	Confident	73 Å²	73	71 Å²	71	38%	0.382	37%	0.372	S	S	.	.	S	Bend	trans	-83.3	-17.8	176.2	-52.4	-174.8	0	0	0	112.9	D432 R446	D432-L434 PolarHBondContact O-N 3.17Å; L434-R446 PolarHBondContact O-NH2 2.82Å
435	V	74.1	Confident	84.4	Confident	121 Å²	121	68.1 Å²	68.1	73%	0.733	36%	0.355	S	S	*	.	S	Bend	trans	-93.4	-44.6	179.8	-177.7	0	0	0	0	110.7
436	H	72.2	Confident	83.5	Confident	156 Å²	156	71.5 Å²	71.5	72%	0.722	37%	0.368	S	S	*	.	S	Bend	trans	-110.1	48.6	178.1	-53.9	-58	0	0	0	109.9	S433 D438	S433-H436 PolarHBondContact OG-N 2.94Å; H436-D438 PolarHBondContact O-N 2.82Å
437	A	62.7	Low	82.1	Confident	42 Å²	42	74.5 Å²	74.5	35%	0.347	38%	0.382	S	S	.	.			trans	-57.8	137	-176.7	0	0	0	0	0	111	S433 S439	S433-A437 WeakPolarHBondContact O-CA 3.38Å; S433-A437 WeakPolarHBondContact O-CB 3.27Å; S433-A437 PolarHBondContact O-N 2.93Å; A437-S439 PolarHBondContact O-N 2.99Å
438	D	63.4	Low	80.3	Confident	108 Å²	108	78 Å²	78	58%	0.578	41%	0.405	S	S	*	.			trans	-53.9	130.9	166.3	-76.1	-34	0	0	0	108.6	H436 N440 K441	H436-D438 PolarHBondContact O-N 2.82Å; D438-N440 PolarHBondContact O-N 2.88Å; D438-K441 PolarHBondContact O-N 3.15Å; D438-K441 VanDerWaalsContact O-N 3.14Å
439	S	63.5	Low	78.1	Confident	117 Å²	117	83.3 Å²	83.3	82%	0.818	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-15.2	-172	58.4	0	0	0	0	114.5	A437	A437-S439 PolarHBondContact O-N 2.99Å
440	N	82	Confident	75.8	Confident	139 Å²	139	87.9 Å²	87.9	74%	0.743	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-15.3	-172.6	-58	-11.4	0	0	0	113.3	D438	D438-N440 PolarHBondContact O-N 2.88Å
441	K	90.2	Very high	73.6	Confident	47 Å²	47	90 Å²	90	20%	0.204	46%	0.464	C	S	.	.			trans	-90.6	145.2	-179.8	-68.5	-167.5	-179.5	-170.1	0	111.6	V423 R425 S427 D432 D438	V423-K441 WeakPolarHBondContact O-CE 3.36Å; V423-K441 PolarHBondContact O-NZ 2.83Å; R425-K441 WeakPolarHBondContact O-CA 3.27Å; S427-K441 WeakPolarHBondContact OG-CB 3.25Å; D432-K441 VanDerWaalsContact CG-NZ 3.3Å; D432-K441 IonicContact OD1-NZ 2.85Å; D432-K441 PolarHBondContact OD1-NZ 2.79Å; D432-K441 IonicContact OD2-NZ 2.78Å; D432-K441 PolarHBondContact OD2-NZ 3.31Å; D438-K441 PolarHBondContact O-N 3.15Å; D438-K441 VanDerWaalsContact O-N 3.14Å
442	I	89.7	Confident	71.7	Confident	41 Å²	41	84.4 Å²	84.4	21%	0.21	46%	0.46	C	S	.	.	B	Isolated β-bridge	trans	-97.1	128.7	177.3	-58.1	169.9	0	0	0	108.8	E144 R425 F426 S427 P444	E144-I442 HydrophobicContact CG-CD1 4.43Å; R425-I442 PolarHBondContact O-N 2.85Å; F426-I442 CarbonylContact C-O 3.51Å; F426-I442 WeakPolarHBondContact CA-O 3.46Å; F426-I442 HydrophobicContact CD1-CB 3.83Å; F426-I442 HydrophobicContact CD1-CG2 4.06Å; F426-I442 HydrophobicContact CE1-CB 4.15Å; F426-I442 HydrophobicContact CE1-CG2 4.1Å; S427-I442 PolarHBondContact N-O 3.19Å; I442-P444 WeakPolarHBondContact O-CD 3.46Å
443	D	89.2	Confident	70	Confident	26 Å²	26	87.4 Å²	87.4	14%	0.139	48%	0.479	C	S	.	.			trans	-93.2	104.7	162.2	-175.1	-9.8	0	0	0	108.7	R445 R446	D443-R445 VanDerWaalsContact CG-NH2 3.28Å; D443-R445 PolarHBondContact O-N 3.25Å; D443-R445 WeakPolarHBondContact OD1-CB 3.45Å; D443-R445 IonicContact OD1-CZ 3.02Å; D443-R445 PolarHBondContact OD1-N 2.89Å; D443-R445 IonicContact OD1-NE 3.09Å; D443-R445 PolarHBondContact OD1-NE 3.41Å; D443-R445 IonicContact OD1-NH2 2.71Å; D443-R445 PolarHBondContact OD1-NH2 2.86Å; D443-R445 IonicContact OD2-CZ 2.73Å; D443-R445 IonicContact OD2-NE 2.68Å; D443-R445 IonicContact OD2-NH2 3.41Å; D443-R445 PolarHBondContact OD2-NH2 3.17Å; D443-R446 HydrophobicContact CB-CG 3.95Å; D443-R446 PolarHBondContact O-N 3.14Å
444	P	92	Very high	69	Low	14 Å²	14	86.7 Å²	86.7	9%	0.091	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.3	-174.2	33.7	-34.1	0	0	0	112.8	I135 P136 F141 F426 F428 I442	I135-P444 HydrophobicContact CD1-CB 3.92Å; I135-P444 HydrophobicContact CD1-CG 3.91Å; P136-P444 WeakPolarHBondContact CD-O 3.38Å; F141-P444 HydrophobicContact CD2-CB 3.77Å; F141-P444 HydrophobicContact CD2-CG 4.2Å; F141-P444 HydrophobicContact CE2-CB 4.35Å; F141-P444 HydrophobicContact CE2-CG 4.28Å; F426-P444 HydrophobicContact CD1-CB 4.1Å; F426-P444 HydrophobicContact CD1-CG 3.82Å; F426-P444 HydrophobicContact CE1-CB 4.07Å; F426-P444 HydrophobicContact CE1-CG 4.23Å; F426-P444 HydrophobicContact CG-CG 4.5Å; F428-P444 HydrophobicContact CE1-CG 3.52Å; F428-P444 HydrophobicContact CE2-CG 4.49Å; F428-P444 HydrophobicContact CZ-CG 3.42Å; F428-P444 VanDerWaalsContact CZ-CG 3.42Å; I442-P444 WeakPolarHBondContact O-CD 3.46Å
445	R	88.8	Confident	68.5	Low	78 Å²	78	85 Å²	85	29%	0.294	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-16.7	175.6	-54.7	162.5	-63.1	-171.9	3.5	112.3	V134 I135 V396 D443 Q447	V134-R445 HydrophobicContact CG2-CG 4.38Å; V134-R445 WeakPolarHBondContact O-CA 3.32Å; I135-R445 HydrophobicContact CD1-CG 4.34Å; V396-R445 HydrophobicContact CG1-CG 4.35Å; D443-R445 VanDerWaalsContact CG-NH2 3.28Å; D443-R445 PolarHBondContact O-N 3.25Å; D443-R445 WeakPolarHBondContact OD1-CB 3.45Å; D443-R445 IonicContact OD1-CZ 3.02Å; D443-R445 PolarHBondContact OD1-N 2.89Å; D443-R445 IonicContact OD1-NE 3.09Å; D443-R445 PolarHBondContact OD1-NE 3.41Å; D443-R445 IonicContact OD1-NH2 2.71Å; D443-R445 PolarHBondContact OD1-NH2 2.86Å; D443-R445 IonicContact OD2-CZ 2.73Å; D443-R445 IonicContact OD2-NE 2.68Å; D443-R445 IonicContact OD2-NH2 3.41Å; D443-R445 PolarHBondContact OD2-NH2 3.17Å; R445-Q447 PolarHBondContact O-N 3.1Å; R445-Q447 VanDerWaalsContact O-N 3.1Å
446	R	77.5	Confident	68.2	Low	150 Å²	150	80.5 Å²	80.5	57%	0.566	43%	0.433	S	S	*	.			trans	-63.5	117.8	177.5	-75	-175.1	177.6	-159.9	0.2	108.4	L434 D443	L434-R446 PolarHBondContact O-NH2 2.82Å; D443-R446 HydrophobicContact CB-CG 3.95Å; D443-R446 PolarHBondContact O-N 3.14Å
447	Q	65.9	Low	68.3	Low	66 Å²	66	78 Å²	78	31%	0.308	42%	0.421	S	S	.	.			trans	-58.8	151.4	159.5	-65.9	-174.9	7.6	0	0	108.3	P136 R445 I449	P136-Q447 HydrophobicContact CB-CG 4.35Å; P136-Q447 HydrophobicContact CG-CB 4.47Å; P136-Q447 HydrophobicContact CG-CG 3.71Å; R445-Q447 PolarHBondContact O-N 3.1Å; R445-Q447 VanDerWaalsContact O-N 3.1Å; Q447-I449 PolarHBondContact O-N 3.39Å
448	P	55.4	Low	68.9	Low	80 Å²	80	78.7 Å²	78.7	52%	0.519	42%	0.417	S	S	.	.	S	Bend	trans	-61.6	76.7	165	-17.6	30.5	0	0	0	110.1	H458	P448-H458 PolarHBondContact O-CE1 3.05Å
449	I	49.3	Very low	69.8	Low	118 Å²	118	73.5 Å²	73.5	61%	0.605	39%	0.39	S	S	*	.			trans	39.6	113.6	174.4	-50.8	172.5	0	0	0	115.6	Q447 L454	Q447-I449 PolarHBondContact O-N 3.39Å; I449-L454 HydrophobicContact CB-CD2 3.35Å; I449-L454 HydrophobicContact CG2-CD2 3.17Å; I449-L454 WeakPolarHBondContact O-CD2 3.49Å
450	E	47.1	Very low	70.8	Confident	130 Å²	130	69 Å²	69	61%	0.607	36%	0.356	S	S	*	.			trans	-68.2	136.3	169.5	-64.6	172	153.2	0	0	112.8
451	L	46.7	Very low	71	Confident	123 Å²	123	67.9 Å²	67.9	64%	0.644	35%	0.345	S	S	*	.			trans	167.2	140.7	140.3	-104.9	127.7	0	0	0	106.2	T453 L454 H455	L451-T453 PolarHBondContact O-N 3Å; L451-L454 WeakPolarHBondContact O-CA 3.25Å; L451-L454 PolarHBondContact O-N 2.83Å; L451-H455 PolarHBondContact O-N 3.29Å; L451-H455 PolarHBondContact O-ND1 3.25Å; L451-H455 VanDerWaalsContact O-ND1 3.15Å
452	G	50.5	Low	70.9	Confident	58 Å²	58	65.9 Å²	65.9	60%	0.598	34%	0.337	S	S	*	.	H	α-helix	trans	-51.6	-32.1	-178.4	0	0	0	0	0	113.8	L456	G452-L456 PolarHBondContact O-N 3.46Å
453	T	52.3	Low	70.9	Confident	96 Å²	96	63.9 Å²	63.9	59%	0.589	33%	0.327	S	S	*	.	H	α-helix	trans	-69.7	-30.5	173.8	-44.9	0	0	0	0	113.6	L451 L456 Q457	L451-T453 PolarHBondContact O-N 3Å; T453-L456 WeakPolarHBondContact O-CB 3.08Å; T453-Q457 PolarHBondContact O-N 3.48Å
454	L	60.1	Low	70.9	Confident	37 Å²	37	64.8 Å²	64.8	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-83.5	-32.8	176	-167.1	67.7	0	0	0	112	I449 L451 L456 Q457 H458	I449-L454 HydrophobicContact CB-CD2 3.35Å; I449-L454 HydrophobicContact CG2-CD2 3.17Å; I449-L454 WeakPolarHBondContact O-CD2 3.49Å; L451-L454 WeakPolarHBondContact O-CA 3.25Å; L451-L454 PolarHBondContact O-N 2.83Å; L454-L456 PolarHBondContact O-N 3.18Å; L454-Q457 HydrophobicContact CD1-CB 4.18Å; L454-Q457 CarbonylContact O-C 3.47Å; L454-Q457 PolarHBondContact O-N 3.12Å; L454-Q457 VanDerWaalsContact O-N 3.09Å; L454-H458 WeakPolarHBondContact O-CB 3.36Å; L454-H458 PolarHBondContact O-N 3.11Å
455	H	65.1	Low	70.8	Confident	38 Å²	38	73.6 Å²	73.6	18%	0.176	37%	0.369	C	S	.	.	H	α-helix	trans	-58.3	-32	170.5	-74.6	94.4	0	0	0	112.2	L451 S459 V479	L451-H455 PolarHBondContact O-N 3.29Å; L451-H455 PolarHBondContact O-ND1 3.25Å; L451-H455 VanDerWaalsContact O-ND1 3.15Å; H455-S459 WeakPolarHBondContact O-CB 3.48Å; H455-S459 PolarHBondContact O-N 3.25Å; H455-V479 HydrophobicContact CB-CG2 3.59Å
456	L	68.7	Low	70.8	Confident	27 Å²	27	70.7 Å²	70.7	14%	0.141	36%	0.364	C	S	.	.	H	α-helix	trans	-69.5	-43.1	173.8	-164	61.1	0	0	0	112.9	G452 T453 L454 S459 M460 V479 F483	G452-L456 PolarHBondContact O-N 3.46Å; T453-L456 WeakPolarHBondContact O-CB 3.08Å; L454-L456 PolarHBondContact O-N 3.18Å; L456-S459 PolarHBondContact O-N 3.43Å; L456-S459 PolarHBondContact O-OG 3.5Å; L456-M460 WeakPolarHBondContact O-CG 3.23Å; L456-M460 PolarHBondContact O-N 3.28Å; L456-V479 HydrophobicContact CD1-CG1 4.32Å; L456-F483 HydrophobicContact CD1-CB 3.32Å; L456-F483 HydrophobicContact CD1-CD1 3.37Å; L456-F483 HydrophobicContact CD1-CD2 4.31Å; L456-F483 HydrophobicContact CD1-CE1 4.2Å; L456-F483 HydrophobicContact CD1-CG 3.41Å; L456-F483 VanDerWaalsContact CD1-CG 3.41Å; L456-F483 HydrophobicContact CD2-CB 4.29Å; L456-F483 HydrophobicContact CD2-CD1 3.31Å; L456-F483 HydrophobicContact CD2-CD2 3.61Å; L456-F483 HydrophobicContact CD2-CE1 3.28Å; L456-F483 HydrophobicContact CD2-CE2 3.59Å; L456-F483 HydrophobicContact CD2-CG 3.45Å; L456-F483 VanDerWaalsContact CD2-CG 3.45Å; L456-F483 HydrophobicContact CD2-CZ 3.41Å; L456-F483 VanDerWaalsContact CD2-CZ 3.41Å; L456-F483 HydrophobicContact CG-CB 4.15Å; L456-F483 HydrophobicContact CG-CD1 3.21Å; L456-F483 HydrophobicContact CG-CD2 4.32Å; L456-F483 HydrophobicContact CG-CE1 3.52Å; L456-F483 HydrophobicContact CG-CG 3.64Å; L456-F483 HydrophobicContact CG-CZ 4.19Å
457	Q	73.6	Confident	71.3	Confident	102 Å²	102	66.5 Å²	66.5	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-40.4	171.9	-70.3	179.2	-19.4	0	0	111	T453 L454 M460 F461	T453-Q457 PolarHBondContact O-N 3.48Å; L454-Q457 HydrophobicContact CD1-CB 4.18Å; L454-Q457 CarbonylContact O-C 3.47Å; L454-Q457 PolarHBondContact O-N 3.12Å; L454-Q457 VanDerWaalsContact O-N 3.09Å; Q457-M460 WeakPolarHBondContact O-CB 3.38Å; Q457-M460 PolarHBondContact O-N 2.73Å; Q457-F461 HydrophobicContact CB-CD2 4.39Å; Q457-F461 HydrophobicContact CB-CE2 4.15Å; Q457-F461 WeakPolarHBondContact O-CD2 3.41Å; Q457-F461 WeakPolarHBondContact O-CG 3.3Å; Q457-F461 PolarHBondContact O-N 3.39Å
458	H	75.2	Confident	72.4	Confident	57 Å²	57	65.4 Å²	65.4	26%	0.264	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-38.6	175.4	-81.7	142.5	0	0	0	112.1	P448 L454 M460 F461 A462	P448-H458 PolarHBondContact O-CE1 3.05Å; L454-H458 WeakPolarHBondContact O-CB 3.36Å; L454-H458 PolarHBondContact O-N 3.11Å; H458-M460 VanDerWaalsContact C-N 3.28Å; H458-M460 PolarHBondContact O-N 3.08Å; H458-F461 PolarHBondContact O-N 3.16Å; H458-A462 WeakPolarHBondContact O-CB 3.37Å; H458-A462 PolarHBondContact O-N 3.09Å
459	S	82.2	Confident	73.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.4	-36.3	175.2	72.4	0	0	0	0	111.2	H455 L456 A463 L471	H455-S459 WeakPolarHBondContact O-CB 3.48Å; H455-S459 PolarHBondContact O-N 3.25Å; L456-S459 PolarHBondContact O-N 3.43Å; L456-S459 PolarHBondContact O-OG 3.5Å; S459-A463 VanDerWaalsContact O-CB 3.23Å; S459-A463 WeakPolarHBondContact O-CB 3.24Å; S459-A463 PolarHBondContact O-N 2.93Å; S459-L471 WeakPolarHBondContact O-CD2 3.48Å
460	M	85.3	Confident	75.4	Confident	23 Å²	23	61 Å²	61	11%	0.113	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-48.9	170.6	-64.5	-110	-160.6	0	0	112.4	L456 Q457 H458 A462 A463 A464 F483 D485 R489 V494	L456-M460 WeakPolarHBondContact O-CG 3.23Å; L456-M460 PolarHBondContact O-N 3.28Å; Q457-M460 WeakPolarHBondContact O-CB 3.38Å; Q457-M460 PolarHBondContact O-N 2.73Å; H458-M460 VanDerWaalsContact C-N 3.28Å; H458-M460 PolarHBondContact O-N 3.08Å; M460-A462 VanDerWaalsContact C-N 3.34Å; M460-A462 PolarHBondContact O-N 3.38Å; M460-A463 PolarHBondContact O-N 2.88Å; M460-A464 WeakPolarHBondContact O-CB 3.48Å; M460-A464 PolarHBondContact O-N 3.46Å; M460-F483 HydrophobicContact CE-CD1 3.79Å; M460-F483 HydrophobicContact CE-CE1 3.89Å; M460-D485 HydrophobicContact CE-CB 3.52Å; M460-D485 VanDerWaalsContact CE-N 3.27Å; M460-D485 HydrophobicContact SD-CB 4.3Å; M460-R489 VanDerWaalsContact CE-O 3.29Å; M460-R489 WeakPolarHBondContact CE-O 3.45Å; M460-V494 HydrophobicContact SD-CG2 4.1Å
461	F	86.2	Confident	77.3	Confident	114 Å²	114	54.8 Å²	54.8	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-65.2	-37.3	178.9	-71.2	-58.7	0	0	0	112.5	Q457 H458 A464 R465	Q457-F461 HydrophobicContact CB-CD2 4.39Å; Q457-F461 HydrophobicContact CB-CE2 4.15Å; Q457-F461 WeakPolarHBondContact O-CD2 3.41Å; Q457-F461 WeakPolarHBondContact O-CG 3.3Å; Q457-F461 PolarHBondContact O-N 3.39Å; H458-F461 PolarHBondContact O-N 3.16Å; F461-A464 WeakPolarHBondContact O-CB 3.17Å; F461-A464 PolarHBondContact O-N 2.93Å; F461-R465 WeakPolarHBondContact O-CB 3.46Å; F461-R465 WeakPolarHBondContact O-CG 3.36Å; F461-R465 PolarHBondContact O-N 2.72Å
462	A	87.3	Confident	79.1	Confident	5 Å²	5	50.8 Å²	50.8	4%	0.041	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-44.5	175.5	0	0	0	0	0	110.6	H458 M460 A464 R465 G466 D467 T470 L471	H458-A462 WeakPolarHBondContact O-CB 3.37Å; H458-A462 PolarHBondContact O-N 3.09Å; M460-A462 VanDerWaalsContact C-N 3.34Å; M460-A462 PolarHBondContact O-N 3.38Å; A462-A464 VanDerWaalsContact C-N 3.3Å; A462-A464 PolarHBondContact O-N 2.74Å; A462-R465 PolarHBondContact O-N 2.82Å; A462-G466 PolarHBondContact O-N 2.89Å; A462-D467 HydrophobicContact CB-CB 4.13Å; A462-D467 PolarHBondContact O-N 3.31Å; A462-T470 HydrophobicContact CB-CG2 3.8Å; A462-L471 HydrophobicContact CB-CD2 4.2Å; A462-L471 HydrophobicContact CB-CG 3.93Å
463	A	90.6	Very high	80.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-38.7	172.1	0	0	0	0	0	112.4	S459 M460 R465 L471 P491 V494 A495 H500 V503	S459-A463 VanDerWaalsContact O-CB 3.23Å; S459-A463 WeakPolarHBondContact O-CB 3.24Å; S459-A463 PolarHBondContact O-N 2.93Å; M460-A463 PolarHBondContact O-N 2.88Å; A463-R465 VanDerWaalsContact C-N 3.34Å; A463-R465 PolarHBondContact O-N 3.3Å; A463-L471 HydrophobicContact CB-CD1 4.39Å; A463-P491 HydrophobicContact CB-CB 4.11Å; A463-P491 WeakPolarHBondContact CB-O 3.19Å; A463-V494 HydrophobicContact CB-CB 4.41Å; A463-V494 HydrophobicContact CB-CG1 4.43Å; A463-A495 HydrophobicContact CB-CB 4.23Å; A463-H500 PolarHBondContact O-CD2 3.19Å; A463-V503 HydrophobicContact CB-CG1 4.44Å
464	A	89.5	Confident	81.7	Confident	45 Å²	45	46.2 Å²	46.2	37%	0.372	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-33.9	176.5	0	0	0	0	0	113.3	M460 F461 A462 V494 H500	M460-A464 WeakPolarHBondContact O-CB 3.48Å; M460-A464 PolarHBondContact O-N 3.46Å; F461-A464 WeakPolarHBondContact O-CB 3.17Å; F461-A464 PolarHBondContact O-N 2.93Å; A462-A464 VanDerWaalsContact C-N 3.3Å; A462-A464 PolarHBondContact O-N 2.74Å; A464-V494 VanDerWaalsContact CA-CG1 3.49Å; A464-V494 HydrophobicContact CB-CG1 3.44Å; A464-V494 VanDerWaalsContact CB-CG1 3.44Å; A464-H500 PolarHBondContact O-NE2 3.38Å
465	R	89.7	Confident	82.6	Confident	198 Å²	198	45.1 Å²	45.1	75%	0.747	22%	0.218	S	C	*	.	H	α-helix	trans	-91.3	-8.7	-177.5	-70.4	177.6	-178.3	172.2	1.8	114.1	F461 A462 A463 D467	F461-R465 WeakPolarHBondContact O-CB 3.46Å; F461-R465 WeakPolarHBondContact O-CG 3.36Å; F461-R465 PolarHBondContact O-N 2.72Å; A462-R465 PolarHBondContact O-N 2.82Å; A463-R465 VanDerWaalsContact C-N 3.34Å; A463-R465 PolarHBondContact O-N 3.3Å; R465-D467 VanDerWaalsContact C-N 3.3Å
466	G	88.9	Confident	83.2	Confident	18 Å²	18	43.8 Å²	43.8	19%	0.186	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	19.3	-171.5	0	0	0	0	0	113.3	A462 L468 H500	A462-G466 PolarHBondContact O-N 2.89Å; G466-L468 VanDerWaalsContact C-N 3.33Å; G466-L468 PolarHBondContact O-N 3.48Å; G466-H500 VanDerWaalsContact CA-CG 3.48Å; G466-H500 PolarHBondContact N-CD2 2.82Å; G466-H500 PolarHBondContact N-NE2 3.49Å
467	D	88.2	Confident	83.5	Confident	62 Å²	62	45.7 Å²	45.7	33%	0.332	22%	0.22	S	C	.	.			trans	-81	80.8	-178.4	-174.7	-5.8	0	0	0	110.9	A462 R465 E469 T470 L471	A462-D467 HydrophobicContact CB-CB 4.13Å; A462-D467 PolarHBondContact O-N 3.31Å; R465-D467 VanDerWaalsContact C-N 3.3Å; D467-E469 PolarHBondContact O-N 2.8Å; D467-E469 PolarHBondContact OD1-N 2.84Å; D467-T470 VanDerWaalsContact CG-CB 3.45Å; D467-T470 VanDerWaalsContact CG-OG1 3.23Å; D467-T470 PolarHBondContact O-N 3.46Å; D467-T470 PolarHBondContact OD1-N 2.99Å; D467-T470 PolarHBondContact OD1-OG1 3.46Å; D467-T470 WeakPolarHBondContact OD2-CB 3.47Å; D467-T470 PolarHBondContact OD2-OG1 3.15Å; D467-L471 PolarHBondContact O-N 3.4Å
468	L	88.4	Confident	83.3	Confident	43 Å²	43	41.8 Å²	41.8	23%	0.225	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-32.4	178.8	179.3	60.4	0	0	0	112.7	G466 L471 K472 V503 F506	G466-L468 VanDerWaalsContact C-N 3.33Å; G466-L468 PolarHBondContact O-N 3.48Å; L468-L471 PolarHBondContact O-N 3.43Å; L468-K472 WeakPolarHBondContact O-CG 3.3Å; L468-K472 PolarHBondContact O-N 3.29Å; L468-V503 HydrophobicContact CB-CG2 4.39Å; L468-F506 HydrophobicContact CD1-CB 3.43Å; L468-F506 VanDerWaalsContact CD1-CB 3.43Å; L468-F506 HydrophobicContact CD1-CD1 3.67Å; L468-F506 HydrophobicContact CD1-CD2 3.79Å; L468-F506 HydrophobicContact CD1-CE1 4.37Å; L468-F506 HydrophobicContact CD1-CE2 4.47Å; L468-F506 HydrophobicContact CD1-CG 3.34Å
469	E	85.4	Confident	83.3	Confident	78 Å²	78	39.9 Å²	39.9	36%	0.364	20%	0.2	S	C	.	.	H	α-helix	trans	-74.1	-40.9	-175.6	-161.3	58.7	-154.6	0	0	111.3	D467 L471 K472 R473	D467-E469 PolarHBondContact O-N 2.8Å; D467-E469 PolarHBondContact OD1-N 2.84Å; E469-L471 VanDerWaalsContact C-N 3.29Å; E469-L471 PolarHBondContact O-N 2.97Å; E469-K472 PolarHBondContact O-N 3.32Å; E469-K472 WeakPolarHBondContact OE2-CD 3.07Å; E469-K472 IonicContact OE2-NZ 3.41Å; E469-K472 PolarHBondContact OE2-NZ 2.86Å; E469-R473 PolarHBondContact O-N 2.94Å; E469-R473 VanDerWaalsContact O-N 3.09Å
470	T	83.2	Confident	83.1	Confident	27 Å²	27	42 Å²	42	17%	0.166	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-35.1	171.1	-65.9	0	0	0	0	111.9	A462 D467 R473 C474	A462-T470 HydrophobicContact CB-CG2 3.8Å; D467-T470 VanDerWaalsContact CG-CB 3.45Å; D467-T470 VanDerWaalsContact CG-OG1 3.23Å; D467-T470 PolarHBondContact O-N 3.46Å; D467-T470 PolarHBondContact OD1-N 2.99Å; D467-T470 PolarHBondContact OD1-OG1 3.46Å; D467-T470 WeakPolarHBondContact OD2-CB 3.47Å; D467-T470 PolarHBondContact OD2-OG1 3.15Å; T470-R473 WeakPolarHBondContact O-CB 3.27Å; T470-R473 PolarHBondContact O-N 3.08Å; T470-R473 PolarHBondContact OG1-NH1 3.2Å; T470-C474 PolarHBondContact O-N 3.41Å; T470-C474 PolarHBondContact O-SG 2.84Å
471	L	86.1	Confident	83	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.5	-44.5	174.4	-78.1	173.7	0	0	0	112.9	S459 A462 A463 D467 L468 E469 R473 C474 V475 L481 V503 F506	S459-L471 WeakPolarHBondContact O-CD2 3.48Å; A462-L471 HydrophobicContact CB-CD2 4.2Å; A462-L471 HydrophobicContact CB-CG 3.93Å; A463-L471 HydrophobicContact CB-CD1 4.39Å; D467-L471 PolarHBondContact O-N 3.4Å; L468-L471 PolarHBondContact O-N 3.43Å; E469-L471 VanDerWaalsContact C-N 3.29Å; E469-L471 PolarHBondContact O-N 2.97Å; L471-R473 PolarHBondContact O-N 2.81Å; L471-C474 WeakPolarHBondContact O-CB 3.21Å; L471-C474 PolarHBondContact O-N 3.01Å; L471-C474 VanDerWaalsContact O-N 3.13Å; L471-V475 WeakPolarHBondContact O-CG2 3.48Å; L471-V475 PolarHBondContact O-N 2.9Å; L471-L481 HydrophobicContact CD2-CD2 4.28Å; L471-V503 HydrophobicContact CD1-CB 4.3Å; L471-V503 HydrophobicContact CD1-CG1 3.33Å; L471-V503 HydrophobicContact CD1-CG2 4.06Å; L471-F506 HydrophobicContact CB-CD1 4.38Å; L471-F506 HydrophobicContact CB-CE1 4.01Å
472	K	85.3	Confident	82.8	Confident	38 Å²	38	38.7 Å²	38.7	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-40.2	173.3	-71.2	172.2	-172.3	162.2	0	111.8	I53 L468 E469 V475 L476 F506	I53-K472 HydrophobicContact CG2-CB 3.91Å; I53-K472 HydrophobicContact CG2-CD 3.84Å; I53-K472 HydrophobicContact CG2-CG 3.86Å; L468-K472 WeakPolarHBondContact O-CG 3.3Å; L468-K472 PolarHBondContact O-N 3.29Å; E469-K472 PolarHBondContact O-N 3.32Å; E469-K472 WeakPolarHBondContact OE2-CD 3.07Å; E469-K472 IonicContact OE2-NZ 3.41Å; E469-K472 PolarHBondContact OE2-NZ 2.86Å; K472-V475 WeakPolarHBondContact O-CB 3.23Å; K472-V475 PolarHBondContact O-N 3.05Å; K472-L476 PolarHBondContact O-N 2.84Å; K472-F506 HydrophobicContact CB-CZ 4.26Å; K472-F506 HydrophobicContact CG-CD2 4.42Å; K472-F506 HydrophobicContact CG-CE1 4.4Å; K472-F506 HydrophobicContact CG-CE2 3.58Å; K472-F506 HydrophobicContact CG-CZ 3.58Å
473	R	77.1	Confident	82.5	Confident	55 Å²	55	42.8 Å²	42.8	21%	0.208	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-42.4	175.2	-164.8	-173.8	-59.7	118.7	5.1	112.3	N131 E469 T470 L471 V475 L476 H477	N131-R473 PolarHBondContact ND2-NE 3.11Å; N131-R473 VanDerWaalsContact ND2-NE 3.13Å; N131-R473 PolarHBondContact ND2-NH2 3.06Å; N131-R473 VanDerWaalsContact ND2-NH2 3.19Å; N131-R473 PolarHBondContact OD1-NE 2.99Å; E469-R473 PolarHBondContact O-N 2.94Å; E469-R473 VanDerWaalsContact O-N 3.09Å; T470-R473 WeakPolarHBondContact O-CB 3.27Å; T470-R473 PolarHBondContact O-N 3.08Å; T470-R473 PolarHBondContact OG1-NH1 3.2Å; L471-R473 PolarHBondContact O-N 2.81Å; R473-V475 VanDerWaalsContact C-N 3.26Å; R473-V475 PolarHBondContact O-N 3.14Å; R473-L476 WeakPolarHBondContact O-CB 3.28Å; R473-L476 PolarHBondContact O-N 2.98Å; R473-L476 VanDerWaalsContact O-N 3.15Å; R473-H477 PolarHBondContact O-CD2 3.38Å; R473-H477 VanDerWaalsContact O-CD2 3.31Å; R473-H477 PolarHBondContact O-N 3.08Å
474	C	80.2	Confident	82.1	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-41.3	174.8	-66.7	0	0	0	0	111.2	T470 L471 H477 G478 V479	T470-C474 PolarHBondContact O-N 3.41Å; T470-C474 PolarHBondContact O-SG 2.84Å; L471-C474 WeakPolarHBondContact O-CB 3.21Å; L471-C474 PolarHBondContact O-N 3.01Å; L471-C474 VanDerWaalsContact O-N 3.13Å; C474-H477 PolarHBondContact O-N 2.82Å; C474-G478 PolarHBondContact O-N 3.33Å; C474-V479 HydrophobicContact CB-CB 4.08Å; C474-V479 HydrophobicContact CB-CG2 4.03Å; C474-V479 VanDerWaalsContact O-CB 3.24Å; C474-V479 WeakPolarHBondContact O-CB 3.45Å; C474-V479 WeakPolarHBondContact O-CG2 3.22Å; C474-V479 PolarHBondContact O-N 3.1Å
475	V	79.4	Confident	81.7	Confident	13 Å²	13	44.4 Å²	44.4	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-45.8	174.5	178.1	0	0	0	0	110.9	L37 I53 L471 K472 R473 H477 G478 L481 F506	L37-V475 HydrophobicContact CD2-CG1 3.5Å; L37-V475 WeakPolarHBondContact CD2-O 3.49Å; I53-V475 HydrophobicContact CG1-CG1 4.4Å; L471-V475 WeakPolarHBondContact O-CG2 3.48Å; L471-V475 PolarHBondContact O-N 2.9Å; K472-V475 WeakPolarHBondContact O-CB 3.23Å; K472-V475 PolarHBondContact O-N 3.05Å; R473-V475 VanDerWaalsContact C-N 3.26Å; R473-V475 PolarHBondContact O-N 3.14Å; V475-H477 PolarHBondContact O-N 2.81Å; V475-H477 VanDerWaalsContact O-N 3.17Å; V475-G478 WeakPolarHBondContact O-CA 3.15Å; V475-G478 PolarHBondContact O-N 3.37Å; V475-L481 HydrophobicContact CG2-CD1 3.46Å; V475-L481 VanDerWaalsContact CG2-CD1 3.46Å; V475-L481 HydrophobicContact CG2-CG 4.43Å; V475-F506 HydrophobicContact CG2-CE1 4.15Å; V475-F506 HydrophobicContact CG2-CZ 4.05Å
476	L	77.1	Confident	81.4	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-32.1	176.3	-75.4	170.1	0	0	0	113.8	I53 L126 L129 R130 K472 R473 G478	I53-L476 HydrophobicContact CD1-CB 4.37Å; I53-L476 HydrophobicContact CD1-CD1 4.1Å; I53-L476 HydrophobicContact CD1-CD2 3.04Å; I53-L476 HydrophobicContact CD1-CG 3.22Å; L126-L476 HydrophobicContact CD2-CD2 3.72Å; L129-L476 HydrophobicContact CB-CD1 3.64Å; L129-L476 WeakPolarHBondContact O-CD1 3.5Å; R130-L476 HydrophobicContact CG-CB 3.75Å; R130-L476 HydrophobicContact CG-CD1 4.26Å; R130-L476 HydrophobicContact CG-CG 4.5Å; R130-L476 VanDerWaalsContact CZ-O 3.3Å; R130-L476 PolarHBondContact NE-O 2.85Å; R130-L476 PolarHBondContact NH2-O 3.03Å; K472-L476 PolarHBondContact O-N 2.84Å; R473-L476 WeakPolarHBondContact O-CB 3.28Å; R473-L476 PolarHBondContact O-N 2.98Å; R473-L476 VanDerWaalsContact O-N 3.15Å; L476-G478 VanDerWaalsContact C-N 3.25Å
477	H	74.2	Confident	81.3	Confident	66 Å²	66	43.4 Å²	43.4	31%	0.306	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.5	175.8	-78.3	-55.6	0	0	0	113.8	R130 E132 R473 C474 V475 V479	R130-H477 PolarHBondContact O-NE2 3.09Å; R130-H477 VanDerWaalsContact O-NE2 3.17Å; E132-H477 IonicContact OE1-CE1 2.78Å; R473-H477 PolarHBondContact O-CD2 3.38Å; R473-H477 VanDerWaalsContact O-CD2 3.31Å; R473-H477 PolarHBondContact O-N 3.08Å; C474-H477 PolarHBondContact O-N 2.82Å; V475-H477 PolarHBondContact O-N 2.81Å; V475-H477 VanDerWaalsContact O-N 3.17Å; H477-V479 HydrophobicContact CB-CG2 4.35Å
478	G	70.6	Confident	81.2	Confident	20 Å²	20	41.5 Å²	41.5	21%	0.206	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	28.8	-179.7	0	0	0	0	0	113.4	P38 C474 V475 L476	P38-G478 WeakPolarHBondContact CD-O 3.33Å; P38-G478 WeakPolarHBondContact CG-O 3.35Å; C474-G478 PolarHBondContact O-N 3.33Å; V475-G478 WeakPolarHBondContact O-CA 3.15Å; V475-G478 PolarHBondContact O-N 3.37Å; L476-G478 VanDerWaalsContact C-N 3.25Å
479	V	75.5	Confident	81.3	Confident	17 Å²	17	42 Å²	42	10%	0.103	21%	0.214	C	C	.	.			trans	-74.5	131.4	176.9	-179.3	0	0	0	0	110.3	H455 L456 C474 H477 L481	H455-V479 HydrophobicContact CB-CG2 3.59Å; L456-V479 HydrophobicContact CD1-CG1 4.32Å; C474-V479 HydrophobicContact CB-CB 4.08Å; C474-V479 HydrophobicContact CB-CG2 4.03Å; C474-V479 VanDerWaalsContact O-CB 3.24Å; C474-V479 WeakPolarHBondContact O-CB 3.45Å; C474-V479 WeakPolarHBondContact O-CG2 3.22Å; C474-V479 PolarHBondContact O-N 3.1Å; H477-V479 HydrophobicContact CB-CG2 4.35Å; V479-L481 HydrophobicContact CG1-CD2 4.46Å; V479-L481 PolarHBondContact O-N 2.95Å
480	C	76.4	Confident	81.5	Confident	45 Å²	45	38.7 Å²	38.7	30%	0.304	20%	0.198	S	C	.	.			trans	-75.9	113.8	172.7	-170.4	0	0	0	0	110.9	P38 N482	P38-C480 HydrophobicContact CB-CB 3.9Å; P38-C480 HydrophobicContact CG-CB 4.26Å; C480-N482 VanDerWaalsContact C-N 3.31Å; C480-N482 PolarHBondContact O-N 3.26Å
481	L	84.1	Confident	81.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	4.2	-180	-62.9	174.9	0	0	0	114.3	L471 V475 V479 F483 P491 L507 C511 V513	L471-L481 HydrophobicContact CD2-CD2 4.28Å; V475-L481 HydrophobicContact CG2-CD1 3.46Å; V475-L481 VanDerWaalsContact CG2-CD1 3.46Å; V475-L481 HydrophobicContact CG2-CG 4.43Å; V479-L481 HydrophobicContact CG1-CD2 4.46Å; V479-L481 PolarHBondContact O-N 2.95Å; L481-F483 VanDerWaalsContact C-N 3.34Å; L481-P491 HydrophobicContact CD2-CG 4.4Å; L481-P491 WeakPolarHBondContact O-CD 3.17Å; L481-L507 HydrophobicContact CB-CD2 4.3Å; L481-L507 HydrophobicContact CD1-CD2 3.7Å; L481-L507 HydrophobicContact CG-CD2 4.48Å; L481-C511 HydrophobicContact CD1-CB 3.93Å; L481-C511 WeakPolarHBondContact CD1-SG 3.43Å; L481-V513 HydrophobicContact CB-CG1 3.81Å
482	N	82	Confident	82.3	Confident	65 Å²	65	37.5 Å²	37.5	35%	0.348	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.2	170.5	-75.8	-42.5	0	0	0	113.3	C480 V513 D514	C480-N482 VanDerWaalsContact C-N 3.31Å; C480-N482 PolarHBondContact O-N 3.26Å; N482-V513 WeakPolarHBondContact OD1-CA 3.21Å; N482-V513 VanDerWaalsContact OD1-CB 3.28Å; N482-V513 WeakPolarHBondContact OD1-CB 3.01Å; N482-D514 PolarHBondContact OD1-N 2.95Å
483	F	80.7	Confident	82.7	Confident	91 Å²	91	35.7 Å²	35.7	40%	0.399	18%	0.183	S	C	.	.			trans	-65.7	150.2	179.7	173	-94.8	0	0	0	111.9	L456 M460 L481 T490 P491	L456-F483 HydrophobicContact CD1-CB 3.32Å; L456-F483 HydrophobicContact CD1-CD1 3.37Å; L456-F483 HydrophobicContact CD1-CD2 4.31Å; L456-F483 HydrophobicContact CD1-CE1 4.2Å; L456-F483 HydrophobicContact CD1-CG 3.41Å; L456-F483 VanDerWaalsContact CD1-CG 3.41Å; L456-F483 HydrophobicContact CD2-CB 4.29Å; L456-F483 HydrophobicContact CD2-CD1 3.31Å; L456-F483 HydrophobicContact CD2-CD2 3.61Å; L456-F483 HydrophobicContact CD2-CE1 3.28Å; L456-F483 HydrophobicContact CD2-CE2 3.59Å; L456-F483 HydrophobicContact CD2-CG 3.45Å; L456-F483 VanDerWaalsContact CD2-CG 3.45Å; L456-F483 HydrophobicContact CD2-CZ 3.41Å; L456-F483 VanDerWaalsContact CD2-CZ 3.41Å; L456-F483 HydrophobicContact CG-CB 4.15Å; L456-F483 HydrophobicContact CG-CD1 3.21Å; L456-F483 HydrophobicContact CG-CD2 4.32Å; L456-F483 HydrophobicContact CG-CE1 3.52Å; L456-F483 HydrophobicContact CG-CG 3.64Å; L456-F483 HydrophobicContact CG-CZ 4.19Å; M460-F483 HydrophobicContact CE-CD1 3.79Å; M460-F483 HydrophobicContact CE-CE1 3.89Å; L481-F483 VanDerWaalsContact C-N 3.34Å; F483-T490 WeakPolarHBondContact O-CA 3.46Å; F483-P491 WeakPolarHBondContact O-CD 3.3Å
484	A	83	Confident	83.4	Confident	34 Å²	34	34 Å²	34	28%	0.281	18%	0.179	S	C	.	.			trans	-120.9	144.2	178.3	0	0	0	0	0	111.7	G488 R489 T490	A484-G488 WeakPolarHBondContact CB-O 3.48Å; A484-R489 CarbonylContact C-O 3.52Å; A484-R489 WeakPolarHBondContact CA-O 3.45Å; A484-T490 HydrophobicContact CB-CG2 4.08Å
485	D	81.3	Confident	84.1	Confident	46 Å²	46	33.9 Å²	33.9	25%	0.246	18%	0.178	C	C	.	.			trans	-70.7	-172.5	175.4	65.6	10.4	0	0	0	111.6	M460 D487 G488 R489	M460-D485 HydrophobicContact CE-CB 3.52Å; M460-D485 VanDerWaalsContact CE-N 3.27Å; M460-D485 HydrophobicContact SD-CB 4.3Å; D485-D487 PolarHBondContact O-N 2.94Å; D485-D487 VanDerWaalsContact O-N 3.12Å; D485-D487 WeakPolarHBondContact OD1-CA 3.1Å; D485-D487 WeakPolarHBondContact OD1-CB 3.46Å; D485-D487 PolarHBondContact OD1-N 2.98Å; D485-G488 PolarHBondContact O-N 2.75Å; D485-G488 PolarHBondContact OD1-N 3.07Å; D485-G488 VanDerWaalsContact OD1-N 3.12Å; D485-R489 PolarHBondContact N-O 3.43Å; D485-R489 WeakPolarHBondContact OD1-CB 3.38Å; D485-R489 PolarHBondContact OD1-N 3.28Å
486	Y	82.7	Confident	84.9	Confident	177 Å²	177	33.2 Å²	33.2	69%	0.694	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.3	179.2	70.5	-89.7	0	0	0	113.6	R520	Y486-R520 PolarHBondContact O-NH2 3.25Å
487	D	85.8	Confident	85.7	Confident	18 Å²	18	33.4 Å²	33.4	10%	0.096	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	6.4	175.6	-73.9	-35.9	0	0	0	112.6	D485 R489 R520 W521	D485-D487 PolarHBondContact O-N 2.94Å; D485-D487 VanDerWaalsContact O-N 3.12Å; D485-D487 WeakPolarHBondContact OD1-CA 3.1Å; D485-D487 WeakPolarHBondContact OD1-CB 3.46Å; D485-D487 PolarHBondContact OD1-N 2.98Å; D487-R489 VanDerWaalsContact C-N 3.26Å; D487-R489 HydrophobicContact CB-CG 4.29Å; D487-R489 PolarHBondContact O-N 3Å; D487-R520 WeakPolarHBondContact O-CB 3.06Å; D487-R520 PolarHBondContact O-N 3.05Å; D487-R520 IonicContact OD1-CZ 3.22Å; D487-R520 IonicContact OD1-NE 3.49Å; D487-R520 PolarHBondContact OD1-NE 2.77Å; D487-R520 IonicContact OD1-NH1 2.76Å; D487-R520 PolarHBondContact OD1-NH1 3.48Å; D487-W521 HydrophobicContact CB-CH2 3.8Å; D487-W521 HydrophobicContact CB-CZ3 3.64Å; D487-W521 VanDerWaalsContact CG-CH2 3.4Å; D487-W521 WeakPolarHBondContact OD2-CH2 3.39Å
488	G	86.6	Confident	86.5	Confident	21 Å²	21	31.9 Å²	31.9	22%	0.216	18%	0.179	C	C	.	.	S	Bend	trans	78.3	8.1	-179.2	0	0	0	0	0	113.8	A484 D485	A484-G488 WeakPolarHBondContact CB-O 3.48Å; D485-G488 PolarHBondContact O-N 2.75Å; D485-G488 PolarHBondContact OD1-N 3.07Å; D485-G488 VanDerWaalsContact OD1-N 3.12Å
489	R	90.1	Very high	87.6	Confident	55 Å²	55	32.1 Å²	32.1	21%	0.208	18%	0.182	C	C	.	.			trans	-84.3	130.2	-179.5	-58.1	-171.5	76.4	-156.3	1.6	110.8	M460 A484 D485 D487 H493 A497 D519 D528	M460-R489 VanDerWaalsContact CE-O 3.29Å; M460-R489 WeakPolarHBondContact CE-O 3.45Å; A484-R489 CarbonylContact C-O 3.52Å; A484-R489 WeakPolarHBondContact CA-O 3.45Å; D485-R489 PolarHBondContact N-O 3.43Å; D485-R489 WeakPolarHBondContact OD1-CB 3.38Å; D485-R489 PolarHBondContact OD1-N 3.28Å; D487-R489 VanDerWaalsContact C-N 3.26Å; D487-R489 HydrophobicContact CB-CG 4.29Å; D487-R489 PolarHBondContact O-N 3Å; R489-H493 HydrophobicContact CB-CB 4.04Å; R489-A497 VanDerWaalsContact NH2-CB 3.35Å; R489-D519 HydrophobicContact CG-CB 4.07Å; R489-D528 IonicContact CZ-OD2 3.53Å; R489-D528 IonicContact NE-OD2 3.6Å; R489-D528 PolarHBondContact NE-OD2 3.21Å; R489-D528 IonicContact NH2-OD2 2.77Å; R489-D528 PolarHBondContact NH2-OD2 2.6Å
490	T	91.2	Very high	88.6	Confident	7 Å²	7	33.5 Å²	33.5	4%	0.043	19%	0.187	C	C	.	.			trans	-94.2	166.3	177.1	62.3	0	0	0	0	111.4	F483 A484 L492 H493 V494 P517	F483-T490 WeakPolarHBondContact O-CA 3.46Å; A484-T490 HydrophobicContact CB-CG2 4.08Å; T490-L492 PolarHBondContact O-N 3.04Å; T490-L492 PolarHBondContact OG1-N 3.06Å; T490-H493 PolarHBondContact N-ND1 3.49Å; T490-H493 VanDerWaalsContact N-ND1 3.19Å; T490-H493 WeakPolarHBondContact O-CB 3.48Å; T490-H493 PolarHBondContact O-N 3.44Å; T490-H493 PolarHBondContact OG1-N 2.81Å; T490-H493 PolarHBondContact OG1-ND1 2.94Å; T490-V494 PolarHBondContact O-N 3.42Å; T490-V494 VanDerWaalsContact O-N 3.14Å; T490-P517 HydrophobicContact CG2-CB 3.79Å; T490-P517 HydrophobicContact CG2-CG 3.92Å
491	P	90.8	Very high	89.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-50.2	-31.7	169.4	-29.5	35.1	0	0	0	113.6	A463 L481 F483 V494 A495 L507	A463-P491 HydrophobicContact CB-CB 4.11Å; A463-P491 WeakPolarHBondContact CB-O 3.19Å; L481-P491 HydrophobicContact CD2-CG 4.4Å; L481-P491 WeakPolarHBondContact O-CD 3.17Å; F483-P491 WeakPolarHBondContact O-CD 3.3Å; P491-V494 PolarHBondContact O-N 2.86Å; P491-A495 WeakPolarHBondContact O-CB 3.42Å; P491-A495 PolarHBondContact O-N 3.15Å; P491-L507 HydrophobicContact CB-CD1 4.17Å
492	L	94.1	Very high	89.7	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-67.5	-41.3	175.5	-174.2	61.7	0	0	0	112.5	T490 V494 A496 V504 L507 L508 V513 D514 P525	T490-L492 PolarHBondContact O-N 3.04Å; T490-L492 PolarHBondContact OG1-N 3.06Å; L492-V494 VanDerWaalsContact C-N 3.34Å; L492-V494 PolarHBondContact O-N 2.77Å; L492-A496 WeakPolarHBondContact O-CB 3.36Å; L492-A496 PolarHBondContact O-N 3.34Å; L492-V504 HydrophobicContact CD1-CB 4.47Å; L492-V504 HydrophobicContact CD1-CG1 4.1Å; L492-V504 HydrophobicContact CD1-CG2 4.34Å; L492-L507 HydrophobicContact CB-CD1 4.2Å; L492-L507 HydrophobicContact CD1-CB 4.26Å; L492-L507 HydrophobicContact CD1-CD1 4.19Å; L492-L508 HydrophobicContact CD1-CD2 4.3Å; L492-L508 HydrophobicContact CD1-CG 4.1Å; L492-L508 HydrophobicContact CD2-CD2 3.68Å; L492-L508 HydrophobicContact CD2-CG 4.38Å; L492-V513 HydrophobicContact CB-CG2 4.37Å; L492-V513 HydrophobicContact CD2-CG2 3.96Å; L492-D514 WeakPolarHBondContact CD2-O 3.49Å; L492-P525 HydrophobicContact CB-CB 4.44Å; L492-P525 HydrophobicContact CB-CG 4.19Å; L492-P525 HydrophobicContact CD2-CB 4.1Å; L492-P525 HydrophobicContact CD2-CG 3.83Å; L492-P525 HydrophobicContact CG-CB 3.73Å; L492-P525 HydrophobicContact CG-CG 3.79Å
493	H	93.9	Very high	90.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-47.2	172.8	-75.4	90.8	0	0	0	111.3	R489 T490 A496 A497 P517 R523 P525 D528	R489-H493 HydrophobicContact CB-CB 4.04Å; T490-H493 PolarHBondContact N-ND1 3.49Å; T490-H493 VanDerWaalsContact N-ND1 3.19Å; T490-H493 WeakPolarHBondContact O-CB 3.48Å; T490-H493 PolarHBondContact O-N 3.44Å; T490-H493 PolarHBondContact OG1-N 2.81Å; T490-H493 PolarHBondContact OG1-ND1 2.94Å; H493-A496 PolarHBondContact O-N 2.63Å; H493-A497 VanDerWaalsContact O-CB 3.28Å; H493-A497 WeakPolarHBondContact O-CB 3.48Å; H493-A497 PolarHBondContact O-N 3.06Å; H493-P517 PolarHBondContact CE1-O 3.32Å; H493-P517 PolarHBondContact NE2-O 2.79Å; H493-R523 PolarHBondContact NE2-O 3.29Å; H493-P525 WeakPolarHBondContact NE2-CD 3.41Å; H493-D528 IonicContact CD2-OD2 3.58Å
494	V	92.8	Very high	90.9	Very high	21 Å²	21	29.3 Å²	29.3	13%	0.127	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-42.4	-176	-179.7	0	0	0	0	111.2	M460 A463 A464 T490 P491 L492 G498	M460-V494 HydrophobicContact SD-CG2 4.1Å; A463-V494 HydrophobicContact CB-CB 4.41Å; A463-V494 HydrophobicContact CB-CG1 4.43Å; A464-V494 VanDerWaalsContact CA-CG1 3.49Å; A464-V494 HydrophobicContact CB-CG1 3.44Å; A464-V494 VanDerWaalsContact CB-CG1 3.44Å; T490-V494 PolarHBondContact O-N 3.42Å; T490-V494 VanDerWaalsContact O-N 3.14Å; P491-V494 PolarHBondContact O-N 2.86Å; L492-V494 VanDerWaalsContact C-N 3.34Å; L492-V494 PolarHBondContact O-N 2.77Å; V494-G498 PolarHBondContact O-N 2.97Å; V494-G498 VanDerWaalsContact O-N 3.07Å
495	A	94.9	Very high	91.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.8	-42.3	175.4	0	0	0	0	0	112.7	A463 P491 G498 G499 H500 V503 V504 L507	A463-A495 HydrophobicContact CB-CB 4.23Å; P491-A495 WeakPolarHBondContact O-CB 3.42Å; P491-A495 PolarHBondContact O-N 3.15Å; A495-G498 PolarHBondContact O-N 3.44Å; A495-G499 PolarHBondContact O-N 2.84Å; A495-G499 VanDerWaalsContact O-N 3.12Å; A495-H500 PolarHBondContact O-N 2.93Å; A495-H500 VanDerWaalsContact O-N 3.13Å; A495-V503 HydrophobicContact CB-CB 4.13Å; A495-V503 HydrophobicContact CB-CG1 3.5Å; A495-V504 HydrophobicContact CB-CG2 3.96Å; A495-L507 HydrophobicContact CB-CD1 4.22Å
496	A	95.7	Very high	91.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-41.6	178.9	0	0	0	0	0	112	L492 H493 G498 G499 V504 P525 A529 I541	L492-A496 WeakPolarHBondContact O-CB 3.36Å; L492-A496 PolarHBondContact O-N 3.34Å; H493-A496 PolarHBondContact O-N 2.63Å; A496-G498 VanDerWaalsContact C-N 3.32Å; A496-G498 PolarHBondContact O-N 3.4Å; A496-G499 PolarHBondContact O-N 3.14Å; A496-V504 HydrophobicContact CB-CG2 4.38Å; A496-P525 HydrophobicContact CB-CB 4.11Å; A496-P525 WeakPolarHBondContact CB-O 3.19Å; A496-A529 HydrophobicContact CB-CB 4.13Å; A496-I541 HydrophobicContact CB-CD1 4.01Å
497	A	93.3	Very high	92.2	Very high	15 Å²	15	19.5 Å²	19.5	12%	0.124	13%	0.125	C	C	.	.	H	α-helix	trans	-68	-28.5	174.5	0	0	0	0	0	113.5	R489 H493 D528 F532 H534	R489-A497 VanDerWaalsContact NH2-CB 3.35Å; H493-A497 VanDerWaalsContact O-CB 3.28Å; H493-A497 WeakPolarHBondContact O-CB 3.48Å; H493-A497 PolarHBondContact O-N 3.06Å; A497-D528 HydrophobicContact CB-CB 4.29Å; A497-F532 HydrophobicContact CB-CD2 3.61Å; A497-F532 HydrophobicContact CB-CE2 3.75Å; A497-F532 HydrophobicContact CB-CG 4.49Å; A497-H534 PolarHBondContact O-CD2 3.32Å; A497-H534 VanDerWaalsContact O-CD2 3.22Å; A497-H534 PolarHBondContact O-NE2 3.08Å
498	G	91.8	Very high	92.4	Very high	33 Å²	33	18.8 Å²	18.8	34%	0.34	12%	0.122	S	C	.	.	H	α-helix	trans	-85.1	-9.2	176.2	0	0	0	0	0	114.8	V494 A495 A496	V494-G498 PolarHBondContact O-N 2.97Å; V494-G498 VanDerWaalsContact O-N 3.07Å; A495-G498 PolarHBondContact O-N 3.44Å; A496-G498 VanDerWaalsContact C-N 3.32Å; A496-G498 PolarHBondContact O-N 3.4Å
499	G	93.7	Very high	92.3	Very high	26 Å²	26	22 Å²	22	27%	0.268	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	17.6	-179.5	0	0	0	0	0	115	A495 A496 A501 H534 C537	A495-G499 PolarHBondContact O-N 2.84Å; A495-G499 VanDerWaalsContact O-N 3.12Å; A496-G499 PolarHBondContact O-N 3.14Å; G499-A501 PolarHBondContact O-N 3.14Å; G499-H534 VanDerWaalsContact CA-CD2 3.49Å; G499-H534 WeakPolarHBondContact CA-CD2 3.17Å; G499-H534 PolarHBondContact N-CD2 3.21Å; G499-H534 VanDerWaalsContact N-CD2 3.3Å; G499-C537 VanDerWaalsContact C-SG 3.55Å
500	H	95.5	Very high	92	Very high	45 Å²	45	20.6 Å²	20.6	21%	0.208	12%	0.124	C	C	.	.			trans	-83.9	80.2	-176.2	-57.9	-59.2	0	0	0	111.4	A463 A464 G466 A495 D502 V503 V504	A463-H500 PolarHBondContact O-CD2 3.19Å; A464-H500 PolarHBondContact O-NE2 3.38Å; G466-H500 VanDerWaalsContact CA-CG 3.48Å; G466-H500 PolarHBondContact N-CD2 2.82Å; G466-H500 PolarHBondContact N-NE2 3.49Å; A495-H500 PolarHBondContact O-N 2.93Å; A495-H500 VanDerWaalsContact O-N 3.13Å; H500-D502 VanDerWaalsContact C-N 3.28Å; H500-D502 PolarHBondContact O-N 3.2Å; H500-V503 HydrophobicContact CB-CB 3.93Å; H500-V503 HydrophobicContact CB-CG2 4.03Å; H500-V503 PolarHBondContact O-N 3.25Å; H500-V504 WeakPolarHBondContact O-CG2 3.22Å; H500-V504 PolarHBondContact O-N 3.4Å
501	A	92.6	Very high	91.6	Very high	32 Å²	32	20.4 Å²	20.4	26%	0.264	12%	0.123	S	C	.	.	H	α-helix	trans	-61.4	-32.4	-173.9	0	0	0	0	0	114.1	G499 T505 L540	G499-A501 PolarHBondContact O-N 3.14Å; A501-T505 WeakPolarHBondContact O-CB 3.44Å; A501-T505 PolarHBondContact O-N 2.61Å; A501-T505 PolarHBondContact O-OG1 3.04Å; A501-L540 HydrophobicContact CB-CD1 3.85Å
502	D	92.2	Very high	91.3	Very high	84 Å²	84	27.7 Å²	27.7	45%	0.449	15%	0.151	S	C	.	.	H	α-helix	trans	-67.1	-43.1	175.1	60	-20.8	0	0	0	112.1	H500 T505 F506	H500-D502 VanDerWaalsContact C-N 3.28Å; H500-D502 PolarHBondContact O-N 3.2Å; D502-T505 PolarHBondContact O-N 3.28Å; D502-F506 WeakPolarHBondContact O-CB 3.21Å; D502-F506 PolarHBondContact O-N 2.88Å
503	V	92.9	Very high	91	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.8	-46.8	173.3	173.4	0	0	0	0	111.1	A463 L468 L471 A495 H500 T505 F506 L507	A463-V503 HydrophobicContact CB-CG1 4.44Å; L468-V503 HydrophobicContact CB-CG2 4.39Å; L471-V503 HydrophobicContact CD1-CB 4.3Å; L471-V503 HydrophobicContact CD1-CG1 3.33Å; L471-V503 HydrophobicContact CD1-CG2 4.06Å; A495-V503 HydrophobicContact CB-CB 4.13Å; A495-V503 HydrophobicContact CB-CG1 3.5Å; H500-V503 HydrophobicContact CB-CB 3.93Å; H500-V503 HydrophobicContact CB-CG2 4.03Å; H500-V503 PolarHBondContact O-N 3.25Å; V503-T505 VanDerWaalsContact C-N 3.28Å; V503-T505 PolarHBondContact O-N 2.9Å; V503-F506 WeakPolarHBondContact O-CB 3.32Å; V503-F506 PolarHBondContact O-N 3.42Å; V503-F506 VanDerWaalsContact O-N 3.15Å; V503-L507 HydrophobicContact CG1-CD1 3.88Å; V503-L507 HydrophobicContact CG1-CG 4.15Å; V503-L507 WeakPolarHBondContact O-CG 3.41Å; V503-L507 PolarHBondContact O-N 3.08Å
504	V	93.7	Very high	90.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-45.4	176.5	169.3	0	0	0	0	110.7	L492 A495 A496 H500 F506 L507 L508 C537 L540 I541	L492-V504 HydrophobicContact CD1-CB 4.47Å; L492-V504 HydrophobicContact CD1-CG1 4.1Å; L492-V504 HydrophobicContact CD1-CG2 4.34Å; A495-V504 HydrophobicContact CB-CG2 3.96Å; A496-V504 HydrophobicContact CB-CG2 4.38Å; H500-V504 WeakPolarHBondContact O-CG2 3.22Å; H500-V504 PolarHBondContact O-N 3.4Å; V504-F506 PolarHBondContact O-N 3.36Å; V504-L507 PolarHBondContact O-N 3.41Å; V504-L508 HydrophobicContact CG1-CD1 3.87Å; V504-L508 WeakPolarHBondContact O-CB 3.34Å; V504-L508 WeakPolarHBondContact O-CG 3.41Å; V504-L508 PolarHBondContact O-N 2.97Å; V504-C537 HydrophobicContact CG2-CB 4.3Å; V504-L540 HydrophobicContact CG1-CB 4.32Å; V504-I541 HydrophobicContact CG1-CD1 4.32Å; V504-I541 HydrophobicContact CG1-CG1 3.82Å
505	T	91.9	Very high	90.4	Very high	33 Å²	33	30.4 Å²	30.4	20%	0.202	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-45.1	176.9	-61	0	0	0	0	111.5	A501 D502 V503 K509	A501-T505 WeakPolarHBondContact O-CB 3.44Å; A501-T505 PolarHBondContact O-N 2.61Å; A501-T505 PolarHBondContact O-OG1 3.04Å; D502-T505 PolarHBondContact O-N 3.28Å; V503-T505 VanDerWaalsContact C-N 3.28Å; V503-T505 PolarHBondContact O-N 2.9Å; T505-K509 HydrophobicContact CG2-CD 3.81Å; T505-K509 HydrophobicContact CG2-CG 4.29Å; T505-K509 VanDerWaalsContact O-CB 3.31Å; T505-K509 WeakPolarHBondContact O-CB 3.35Å; T505-K509 PolarHBondContact O-N 3.01Å
506	F	90.5	Very high	90.2	Very high	17 Å²	17	35 Å²	35	8%	0.075	19%	0.186	C	C	.	.	I	π-helix	trans	-61.7	-48.3	177.1	175.4	-101.6	0	0	0	112.1	L468 L471 K472 V475 D502 V503 V504 L508 R510 C511	L468-F506 HydrophobicContact CD1-CB 3.43Å; L468-F506 VanDerWaalsContact CD1-CB 3.43Å; L468-F506 HydrophobicContact CD1-CD1 3.67Å; L468-F506 HydrophobicContact CD1-CD2 3.79Å; L468-F506 HydrophobicContact CD1-CE1 4.37Å; L468-F506 HydrophobicContact CD1-CE2 4.47Å; L468-F506 HydrophobicContact CD1-CG 3.34Å; L471-F506 HydrophobicContact CB-CD1 4.38Å; L471-F506 HydrophobicContact CB-CE1 4.01Å; K472-F506 HydrophobicContact CB-CZ 4.26Å; K472-F506 HydrophobicContact CG-CD2 4.42Å; K472-F506 HydrophobicContact CG-CE1 4.4Å; K472-F506 HydrophobicContact CG-CE2 3.58Å; K472-F506 HydrophobicContact CG-CZ 3.58Å; V475-F506 HydrophobicContact CG2-CE1 4.15Å; V475-F506 HydrophobicContact CG2-CZ 4.05Å; D502-F506 WeakPolarHBondContact O-CB 3.21Å; D502-F506 PolarHBondContact O-N 2.88Å; V503-F506 WeakPolarHBondContact O-CB 3.32Å; V503-F506 PolarHBondContact O-N 3.42Å; V503-F506 VanDerWaalsContact O-N 3.15Å; V504-F506 PolarHBondContact O-N 3.36Å; F506-L508 PolarHBondContact O-N 3.07Å; F506-R510 HydrophobicContact CD2-CB 3.62Å; F506-R510 HydrophobicContact CD2-CG 3.84Å; F506-R510 HydrophobicContact CE2-CB 3.83Å; F506-R510 HydrophobicContact CE2-CG 3.71Å; F506-R510 HydrophobicContact CG-CB 4.2Å; F506-R510 VanDerWaalsContact O-CA 3.26Å; F506-R510 WeakPolarHBondContact O-CA 3.38Å; F506-R510 WeakPolarHBondContact O-CB 3.44Å; F506-R510 PolarHBondContact O-N 3.49Å; F506-C511 WeakPolarHBondContact CE1-SG 3.42Å; F506-C511 PolarHBondContact O-N 2.74Å; F506-C511 VanDerWaalsContact O-N 3.13Å
507	L	91.4	Very high	89.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-60.1	-47.4	179.9	-68.7	176	0	0	0	111.9	L481 P491 L492 A495 V503 V504 C511 R512 V513	L481-L507 HydrophobicContact CB-CD2 4.3Å; L481-L507 HydrophobicContact CD1-CD2 3.7Å; L481-L507 HydrophobicContact CG-CD2 4.48Å; P491-L507 HydrophobicContact CB-CD1 4.17Å; L492-L507 HydrophobicContact CB-CD1 4.2Å; L492-L507 HydrophobicContact CD1-CB 4.26Å; L492-L507 HydrophobicContact CD1-CD1 4.19Å; A495-L507 HydrophobicContact CB-CD1 4.22Å; V503-L507 HydrophobicContact CG1-CD1 3.88Å; V503-L507 HydrophobicContact CG1-CG 4.15Å; V503-L507 WeakPolarHBondContact O-CG 3.41Å; V503-L507 PolarHBondContact O-N 3.08Å; V504-L507 PolarHBondContact O-N 3.41Å; L507-C511 CarbonylContact O-C 3.51Å; L507-C511 WeakPolarHBondContact O-CB 3.26Å; L507-C511 PolarHBondContact O-N 2.77Å; L507-R512 PolarHBondContact O-N 3.3Å; L507-R512 VanDerWaalsContact O-N 3.13Å; L507-V513 HydrophobicContact CB-CG1 4.5Å; L507-V513 HydrophobicContact CB-CG2 3.94Å; L507-V513 WeakPolarHBondContact O-CG2 3.46Å; L507-V513 PolarHBondContact O-N 3.03Å
508	L	90.1	Very high	89.8	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.212	C	C	.	.	I	π-helix	trans	-72.3	-54.6	-177.6	-69.3	174.2	0	0	0	112.6	L492 V504 F506 R512 V513 P515 I541 F544	L492-L508 HydrophobicContact CD1-CD2 4.3Å; L492-L508 HydrophobicContact CD1-CG 4.1Å; L492-L508 HydrophobicContact CD2-CD2 3.68Å; L492-L508 HydrophobicContact CD2-CG 4.38Å; V504-L508 HydrophobicContact CG1-CD1 3.87Å; V504-L508 WeakPolarHBondContact O-CB 3.34Å; V504-L508 WeakPolarHBondContact O-CG 3.41Å; V504-L508 PolarHBondContact O-N 2.97Å; F506-L508 PolarHBondContact O-N 3.07Å; L508-R512 WeakPolarHBondContact O-CA 3.08Å; L508-V513 HydrophobicContact CD2-CG2 4.15Å; L508-P515 HydrophobicContact CD2-CB 3.79Å; L508-I541 HydrophobicContact CD1-CB 4.42Å; L508-I541 HydrophobicContact CD1-CG1 3.94Å; L508-F544 HydrophobicContact CB-CD1 4.34Å; L508-F544 HydrophobicContact CB-CD2 4.02Å; L508-F544 HydrophobicContact CB-CE1 4.46Å; L508-F544 HydrophobicContact CB-CE2 4.15Å; L508-F544 HydrophobicContact CB-CG 4.11Å; L508-F544 HydrophobicContact CB-CZ 4.37Å; L508-F544 HydrophobicContact CD1-CB 4.08Å; L508-F544 HydrophobicContact CD1-CG 4.3Å; L508-F544 HydrophobicContact CD2-CD1 3.98Å; L508-F544 HydrophobicContact CD2-CE1 4.26Å; L508-F544 HydrophobicContact CD2-CG 4.4Å; L508-F544 WeakPolarHBondContact O-CE2 3.38Å; L508-F544 VanDerWaalsContact O-CZ 3.24Å; L508-F544 WeakPolarHBondContact O-CZ 3.26Å
509	K	85.9	Confident	89.7	Confident	88 Å²	88	38.9 Å²	38.9	38%	0.383	20%	0.197	S	C	.	.	I	π-helix	trans	-80.2	-34.9	-172.9	-61.9	-171.2	-171.5	174.5	0	112.9	D57 T505 F544	D57-K509 WeakPolarHBondContact OD1-CD 3.49Å; D57-K509 IonicContact OD1-NZ 2.97Å; D57-K509 PolarHBondContact OD1-NZ 3.12Å; D57-K509 IonicContact OD2-NZ 3.91Å; D57-K509 PolarHBondContact OD2-NZ 3.11Å; T505-K509 HydrophobicContact CG2-CD 3.81Å; T505-K509 HydrophobicContact CG2-CG 4.29Å; T505-K509 VanDerWaalsContact O-CB 3.31Å; T505-K509 WeakPolarHBondContact O-CB 3.35Å; T505-K509 PolarHBondContact O-N 3.01Å; K509-F544 HydrophobicContact CG-CD2 4.43Å; K509-F544 HydrophobicContact CG-CE2 4.39Å
510	R	83.1	Confident	89.6	Confident	26 Å²	26	45 Å²	45	10%	0.098	21%	0.212	C	C	.	.	I	π-helix	trans	-93.5	-55	-172.9	-140.9	77.3	-176.9	74.2	4.6	112.3	F51 E52 K55 F506 R512	F51-R510 PolarHBondContact O-NH2 3.17Å; E52-R510 VanDerWaalsContact C-NH1 3.28Å; E52-R510 VanDerWaalsContact CA-CZ 3.46Å; E52-R510 VanDerWaalsContact CA-NH1 3.3Å; E52-R510 WeakPolarHBondContact O-CG 3.43Å; E52-R510 PolarHBondContact O-NE 3.46Å; E52-R510 PolarHBondContact O-NH1 2.85Å; E52-R510 PolarHBondContact O-NH2 2.97Å; E52-R510 IonicContact OE2-CZ 2.81Å; E52-R510 IonicContact OE2-NH1 3.79Å; E52-R510 PolarHBondContact OE2-NH1 3.4Å; K55-R510 VanDerWaalsContact CA-NH2 3.26Å; K55-R510 VanDerWaalsContact CE-CZ 3.47Å; K55-R510 PolarHBondContact O-NE 2.9Å; F506-R510 HydrophobicContact CD2-CB 3.62Å; F506-R510 HydrophobicContact CD2-CG 3.84Å; F506-R510 HydrophobicContact CE2-CB 3.83Å; F506-R510 HydrophobicContact CE2-CG 3.71Å; F506-R510 HydrophobicContact CG-CB 4.2Å; F506-R510 VanDerWaalsContact O-CA 3.26Å; F506-R510 WeakPolarHBondContact O-CA 3.38Å; F506-R510 WeakPolarHBondContact O-CB 3.44Å; F506-R510 PolarHBondContact O-N 3.49Å; R510-R512 VanDerWaalsContact C-N 3.34Å
511	C	83.8	Confident	89.4	Confident	4 Å²	4	50 Å²	50	3%	0.027	23%	0.229	C	C	.	.	S	Bend	trans	-83.5	-14.2	-175.9	-52.9	0	0	0	0	113	S39 L481 F506 L507 V513	S39-C511 WeakPolarHBondContact CB-O 3.36Å; S39-C511 PolarHBondContact OG-O 3.45Å; L481-C511 HydrophobicContact CD1-CB 3.93Å; L481-C511 WeakPolarHBondContact CD1-SG 3.43Å; F506-C511 WeakPolarHBondContact CE1-SG 3.42Å; F506-C511 PolarHBondContact O-N 2.74Å; F506-C511 VanDerWaalsContact O-N 3.13Å; L507-C511 CarbonylContact O-C 3.51Å; L507-C511 WeakPolarHBondContact O-CB 3.26Å; L507-C511 PolarHBondContact O-N 2.77Å; C511-V513 VanDerWaalsContact C-N 3.29Å; C511-V513 HydrophobicContact CB-CG1 4.01Å; C511-V513 PolarHBondContact O-N 3.24Å
512	R	83.5	Confident	89.3	Confident	153 Å²	153	56.6 Å²	56.6	58%	0.577	25%	0.252	S	S	*	.			trans	54.3	43.8	-177.9	-58	-178.1	179.7	-177.8	0.6	112.2	L507 L508 R510	L507-R512 PolarHBondContact O-N 3.3Å; L507-R512 VanDerWaalsContact O-N 3.13Å; L508-R512 WeakPolarHBondContact O-CA 3.08Å; R510-R512 VanDerWaalsContact C-N 3.34Å
513	V	87.1	Confident	89.3	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.03	25%	0.246	C	C	.	.			trans	-66.5	157.8	174.2	-56.7	0	0	0	0	110.9	L481 N482 L492 L507 L508 C511 P515	L481-V513 HydrophobicContact CB-CG1 3.81Å; N482-V513 WeakPolarHBondContact OD1-CA 3.21Å; N482-V513 VanDerWaalsContact OD1-CB 3.28Å; N482-V513 WeakPolarHBondContact OD1-CB 3.01Å; L492-V513 HydrophobicContact CB-CG2 4.37Å; L492-V513 HydrophobicContact CD2-CG2 3.96Å; L507-V513 HydrophobicContact CB-CG1 4.5Å; L507-V513 HydrophobicContact CB-CG2 3.94Å; L507-V513 WeakPolarHBondContact O-CG2 3.46Å; L507-V513 PolarHBondContact O-N 3.03Å; L508-V513 HydrophobicContact CD2-CG2 4.15Å; C511-V513 VanDerWaalsContact C-N 3.29Å; C511-V513 HydrophobicContact CB-CG1 4.01Å; C511-V513 PolarHBondContact O-N 3.24Å; V513-P515 WeakPolarHBondContact O-CD 3.47Å
514	D	86.2	Confident	89.4	Confident	73 Å²	73	57.9 Å²	57.9	39%	0.39	25%	0.254	S	S	.	.			trans	-58.7	124.7	170.4	-171.4	10.3	0	0	0	109.6	N482 L492 E516 P517	N482-D514 PolarHBondContact OD1-N 2.95Å; L492-D514 WeakPolarHBondContact CD2-O 3.49Å; D514-E516 VanDerWaalsContact C-N 3.32Å; D514-E516 PolarHBondContact OD1-N 3.22Å; D514-P517 WeakPolarHBondContact O-CD 3.42Å
515	P	88.8	Confident	89.4	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.013	25%	0.254	C	S	.	.	S	Bend	trans	-75	-20.9	177.6	28.9	-35.9	0	0	0	113.6	L508 V513 P517 F544 I545	L508-P515 HydrophobicContact CD2-CB 3.79Å; V513-P515 WeakPolarHBondContact O-CD 3.47Å; P515-P517 WeakPolarHBondContact O-CD 3.23Å; P515-F544 HydrophobicContact CB-CD1 4.05Å; P515-F544 HydrophobicContact CG-CD1 4.2Å; P515-F544 HydrophobicContact CG-CE1 4.41Å; P515-I545 HydrophobicContact CB-CD1 4.34Å; P515-I545 HydrophobicContact CB-CG1 3.72Å; P515-I545 HydrophobicContact CG-CG1 3.97Å
516	E	90.4	Very high	89.6	Confident	96 Å²	96	59.8 Å²	59.8	45%	0.449	26%	0.257	S	S	.	.			trans	-121.7	44.2	-173.2	-62.2	178.2	108.5	0	0	114.1	D514 I545	D514-E516 VanDerWaalsContact C-N 3.32Å; D514-E516 PolarHBondContact OD1-N 3.22Å; E516-I545 HydrophobicContact CG-CD1 3.51Å; E516-I545 HydrophobicContact CG-CG1 3.97Å
517	P	89.6	Confident	89.8	Confident	19 Å²	19	61.9 Å²	61.9	12%	0.123	27%	0.269	C	S	.	.			trans	-65.7	145.9	171.5	28.3	-32.3	0	0	0	109.2	T490 H493 D514 P515 P525	T490-P517 HydrophobicContact CG2-CB 3.79Å; T490-P517 HydrophobicContact CG2-CG 3.92Å; H493-P517 PolarHBondContact CE1-O 3.32Å; H493-P517 PolarHBondContact NE2-O 2.79Å; D514-P517 WeakPolarHBondContact O-CD 3.42Å; P515-P517 WeakPolarHBondContact O-CD 3.23Å; P517-P525 HydrophobicContact CG-CG 3.71Å; P517-P525 WeakPolarHBondContact O-CD 3.47Å
518	I	91.7	Very high	89.9	Confident	103 Å²	103	62 Å²	62	53%	0.528	27%	0.27	S	S	.	.			trans	-112	123.8	-177.2	-57.9	175.1	0	0	0	108.9	K522	I518-K522 HydrophobicContact CG2-CB 4.42Å; I518-K522 HydrophobicContact CG2-CD 3.86Å
519	D	89.4	Confident	90.1	Very high	8 Å²	8	61.9 Å²	61.9	4%	0.043	27%	0.269	C	S	.	.			trans	-80.1	-178.8	176.1	78.6	2.7	0	0	0	113.2	R489 W521 K522 R523	R489-D519 HydrophobicContact CG-CB 4.07Å; D519-W521 PolarHBondContact O-N 3.08Å; D519-W521 VanDerWaalsContact OD1-C 3.25Å; D519-W521 VanDerWaalsContact OD1-CA 3.3Å; D519-W521 WeakPolarHBondContact OD1-CA 3.48Å; D519-W521 PolarHBondContact OD1-N 3.34Å; D519-K522 PolarHBondContact O-N 2.98Å; D519-K522 VanDerWaalsContact O-N 3.09Å; D519-K522 PolarHBondContact OD1-N 2.74Å; D519-R523 PolarHBondContact N-O 3.33Å; D519-R523 PolarHBondContact OD1-N 3.46Å
520	R	91.2	Very high	90.5	Very high	153 Å²	153	61 Å²	61	58%	0.577	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.1	177	177.7	178.5	-76	-176.6	-7.7	113.3	Y486 D487 K522	Y486-R520 PolarHBondContact O-NH2 3.25Å; D487-R520 WeakPolarHBondContact O-CB 3.06Å; D487-R520 PolarHBondContact O-N 3.05Å; D487-R520 IonicContact OD1-CZ 3.22Å; D487-R520 IonicContact OD1-NE 3.49Å; D487-R520 PolarHBondContact OD1-NE 2.77Å; D487-R520 IonicContact OD1-NH1 2.76Å; D487-R520 PolarHBondContact OD1-NH1 3.48Å; R520-K522 VanDerWaalsContact C-N 3.35Å
521	W	90.9	Very high	91	Very high	150 Å²	150	65.1 Å²	65.1	57%	0.568	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	12.7	179.7	-61.5	-82.1	0	0	0	113.3	D487 D519 R523	D487-W521 HydrophobicContact CB-CH2 3.8Å; D487-W521 HydrophobicContact CB-CZ3 3.64Å; D487-W521 VanDerWaalsContact CG-CH2 3.4Å; D487-W521 WeakPolarHBondContact OD2-CH2 3.39Å; D519-W521 PolarHBondContact O-N 3.08Å; D519-W521 VanDerWaalsContact OD1-C 3.25Å; D519-W521 VanDerWaalsContact OD1-CA 3.3Å; D519-W521 WeakPolarHBondContact OD1-CA 3.48Å; D519-W521 PolarHBondContact OD1-N 3.34Å; W521-R523 HydrophobicContact CB-CG 4.37Å; W521-R523 PolarHBondContact O-N 3.3Å
522	K	91.3	Very high	91.4	Very high	171 Å²	171	70.2 Å²	70.2	74%	0.743	31%	0.31	S	S	*	.	S	Bend	trans	62	24.7	-177.5	-57.3	-62.2	-173.5	-177.4	0	113.5	I518 D519 R520	I518-K522 HydrophobicContact CG2-CB 4.42Å; I518-K522 HydrophobicContact CG2-CD 3.86Å; D519-K522 PolarHBondContact O-N 2.98Å; D519-K522 VanDerWaalsContact O-N 3.09Å; D519-K522 PolarHBondContact OD1-N 2.74Å; R520-K522 VanDerWaalsContact C-N 3.35Å
523	R	92.3	Very high	91.9	Very high	85 Å²	85	65.8 Å²	65.8	32%	0.321	31%	0.312	S	S	.	.			trans	-94	145.3	174.6	-64.8	-174.7	177.6	-172.2	-1.6	110.1	H493 D519 W521 D527 H531	H493-R523 PolarHBondContact NE2-O 3.29Å; D519-R523 PolarHBondContact N-O 3.33Å; D519-R523 PolarHBondContact OD1-N 3.46Å; W521-R523 HydrophobicContact CB-CG 4.37Å; W521-R523 PolarHBondContact O-N 3.3Å; R523-D527 HydrophobicContact CB-CB 4.13Å; R523-D527 HydrophobicContact CG-CB 4.4Å; R523-H531 PolarHBondContact NH1-CD2 3.33Å; R523-H531 PolarHBondContact NH1-NE2 3.28Å
524	T	94.8	Very high	92.3	Very high	26 Å²	26	68.6 Å²	68.6	16%	0.16	33%	0.325	C	S	.	.			trans	-93.7	165.3	166.8	64.4	0	0	0	0	110	R526 D527 D528	T524-R526 PolarHBondContact O-N 3.32Å; T524-R526 VanDerWaalsContact O-N 3.15Å; T524-R526 PolarHBondContact OG1-N 3.03Å; T524-D527 WeakPolarHBondContact CB-OD2 3.38Å; T524-D527 PolarHBondContact N-OD2 3.09Å; T524-D527 WeakPolarHBondContact O-CB 3.32Å; T524-D527 PolarHBondContact O-N 3.16Å; T524-D527 PolarHBondContact OG1-N 3.39Å; T524-D527 PolarHBondContact OG1-OD2 3.36Å; T524-D528 PolarHBondContact O-N 3.46Å
525	P	93.9	Very high	92.6	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-56.4	-30.5	171.8	-25.2	34	0	0	0	113.3	L492 H493 A496 P517 D528 A529 I541	L492-P525 HydrophobicContact CB-CB 4.44Å; L492-P525 HydrophobicContact CB-CG 4.19Å; L492-P525 HydrophobicContact CD2-CB 4.1Å; L492-P525 HydrophobicContact CD2-CG 3.83Å; L492-P525 HydrophobicContact CG-CB 3.73Å; L492-P525 HydrophobicContact CG-CG 3.79Å; H493-P525 WeakPolarHBondContact NE2-CD 3.41Å; A496-P525 HydrophobicContact CB-CB 4.11Å; A496-P525 WeakPolarHBondContact CB-O 3.19Å; P517-P525 HydrophobicContact CG-CG 3.71Å; P517-P525 WeakPolarHBondContact O-CD 3.47Å; P525-D528 PolarHBondContact O-N 3.37Å; P525-A529 PolarHBondContact O-N 3.38Å; P525-I541 HydrophobicContact CB-CD1 4.06Å
526	R	95	Very high	92.8	Very high	73 Å²	73	72.8 Å²	72.8	28%	0.275	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-43.9	174.9	-178	179.7	173.6	-81.1	2.6	111.3	T524 D528 A529 I530 A538 I541 E542	T524-R526 PolarHBondContact O-N 3.32Å; T524-R526 VanDerWaalsContact O-N 3.15Å; T524-R526 PolarHBondContact OG1-N 3.03Å; R526-D528 VanDerWaalsContact C-N 3.3Å; R526-D528 PolarHBondContact O-N 3.37Å; R526-A529 PolarHBondContact O-N 3.27Å; R526-I530 HydrophobicContact CG-CD1 4.09Å; R526-I530 WeakPolarHBondContact O-CG1 3.2Å; R526-I530 PolarHBondContact O-N 3.21Å; R526-A538 HydrophobicContact CG-CB 4.26Å; R526-I541 HydrophobicContact CB-CB 4.45Å; R526-I541 HydrophobicContact CB-CD1 4.49Å; R526-I541 HydrophobicContact CB-CG2 3.99Å; R526-E542 IonicContact CZ-OE2 3.56Å; R526-E542 VanDerWaalsContact CZ-OE2 3.29Å; R526-E542 IonicContact NE-OE2 2.74Å; R526-E542 PolarHBondContact NE-OE2 3.26Å; R526-E542 IonicContact NH2-OE1 3.29Å; R526-E542 IonicContact NH2-OE2 3.48Å; R526-E542 PolarHBondContact NH2-OE2 3.03Å
527	D	94.8	Very high	92.9	Very high	61 Å²	61	68.3 Å²	68.3	33%	0.326	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-39.6	177.5	-58	-43.9	0	0	0	111.1	R523 T524 I530 H531	R523-D527 HydrophobicContact CB-CB 4.13Å; R523-D527 HydrophobicContact CG-CB 4.4Å; T524-D527 WeakPolarHBondContact CB-OD2 3.38Å; T524-D527 PolarHBondContact N-OD2 3.09Å; T524-D527 WeakPolarHBondContact O-CB 3.32Å; T524-D527 PolarHBondContact O-N 3.16Å; T524-D527 PolarHBondContact OG1-N 3.39Å; T524-D527 PolarHBondContact OG1-OD2 3.36Å; D527-I530 PolarHBondContact O-N 3.14Å; D527-H531 WeakPolarHBondContact O-CB 3.49Å; D527-H531 PolarHBondContact O-N 2.55Å
528	D	93.1	Very high	93.1	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-60.5	-48.3	172.9	-89.1	2.7	0	0	0	111.3	R489 H493 A497 T524 P525 R526 I530 H531 F532	R489-D528 IonicContact CZ-OD2 3.53Å; R489-D528 IonicContact NE-OD2 3.6Å; R489-D528 PolarHBondContact NE-OD2 3.21Å; R489-D528 IonicContact NH2-OD2 2.77Å; R489-D528 PolarHBondContact NH2-OD2 2.6Å; H493-D528 IonicContact CD2-OD2 3.58Å; A497-D528 HydrophobicContact CB-CB 4.29Å; T524-D528 PolarHBondContact O-N 3.46Å; P525-D528 PolarHBondContact O-N 3.37Å; R526-D528 VanDerWaalsContact C-N 3.3Å; R526-D528 PolarHBondContact O-N 3.37Å; D528-I530 VanDerWaalsContact C-N 3.33Å; D528-I530 PolarHBondContact O-N 2.84Å; D528-H531 PolarHBondContact O-N 3.09Å; D528-F532 VanDerWaalsContact O-CD2 3.23Å; D528-F532 WeakPolarHBondContact O-CD2 3.31Å; D528-F532 PolarHBondContact O-N 3.19Å
529	A	95.1	Very high	93.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.1	-44.3	176	0	0	0	0	0	112.5	A496 P525 R526 G533 H534 C537 A538	A496-A529 HydrophobicContact CB-CB 4.13Å; P525-A529 PolarHBondContact O-N 3.38Å; R526-A529 PolarHBondContact O-N 3.27Å; A529-G533 PolarHBondContact O-N 2.95Å; A529-H534 WeakPolarHBondContact O-CA 3.38Å; A529-H534 PolarHBondContact O-N 2.96Å; A529-C537 HydrophobicContact CB-CB 3.9Å; A529-A538 HydrophobicContact CB-CB 3.92Å
530	I	95.2	Very high	93.3	Very high	70 Å²	70	68.5 Å²	68.5	36%	0.359	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-44.4	178.4	-66.7	168.2	0	0	0	110.6	R526 D527 D528 F532 G533 A538	R526-I530 HydrophobicContact CG-CD1 4.09Å; R526-I530 WeakPolarHBondContact O-CG1 3.2Å; R526-I530 PolarHBondContact O-N 3.21Å; D527-I530 PolarHBondContact O-N 3.14Å; D528-I530 VanDerWaalsContact C-N 3.33Å; D528-I530 PolarHBondContact O-N 2.84Å; I530-F532 PolarHBondContact O-N 3.29Å; I530-F532 VanDerWaalsContact C-N 3.31Å; I530-G533 PolarHBondContact O-N 2.84Å; I530-A538 HydrophobicContact CD1-CB 4.37Å; I530-A538 HydrophobicContact CG1-CB 3.71Å
531	H	92.8	Very high	93.4	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.519	31%	0.305	S	S	.	.	H	α-helix	trans	-61.4	-39	-177.9	-175.1	64	0	0	0	112.7	R523 D527 D528 G533	R523-H531 PolarHBondContact NH1-CD2 3.33Å; R523-H531 PolarHBondContact NH1-NE2 3.28Å; D527-H531 WeakPolarHBondContact O-CB 3.49Å; D527-H531 PolarHBondContact O-N 2.55Å; D528-H531 PolarHBondContact O-N 3.09Å; H531-G533 VanDerWaalsContact C-N 3.33Å
532	F	92.8	Very high	93.4	Very high	110 Å²	110	57 Å²	57	48%	0.482	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	2.1	176.3	-69.8	-74.3	0	0	0	113.7	A497 D528 I530	A497-F532 HydrophobicContact CB-CD2 3.61Å; A497-F532 HydrophobicContact CB-CE2 3.75Å; A497-F532 HydrophobicContact CB-CG 4.49Å; D528-F532 VanDerWaalsContact O-CD2 3.23Å; D528-F532 WeakPolarHBondContact O-CD2 3.31Å; D528-F532 PolarHBondContact O-N 3.19Å; I530-F532 PolarHBondContact O-N 3.29Å; I530-F532 VanDerWaalsContact C-N 3.31Å
533	G	93.2	Very high	93.4	Very high	60 Å²	60	56.4 Å²	56.4	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	18.4	175.5	0	0	0	0	0	115	A529 I530 H531 Q535	A529-G533 PolarHBondContact O-N 2.95Å; I530-G533 PolarHBondContact O-N 2.84Å; H531-G533 VanDerWaalsContact C-N 3.33Å; G533-Q535 PolarHBondContact O-N 2.99Å
534	H	95.6	Very high	93.2	Very high	65 Å²	65	55 Å²	55	30%	0.301	29%	0.285	S	S	.	.			trans	-93.7	66.1	-179.6	-60.2	-48.9	0	0	0	112.1	A497 G499 A529 A536 C537 A538	A497-H534 PolarHBondContact O-CD2 3.32Å; A497-H534 VanDerWaalsContact O-CD2 3.22Å; A497-H534 PolarHBondContact O-NE2 3.08Å; G499-H534 VanDerWaalsContact CA-CD2 3.49Å; G499-H534 WeakPolarHBondContact CA-CD2 3.17Å; G499-H534 PolarHBondContact N-CD2 3.21Å; G499-H534 VanDerWaalsContact N-CD2 3.3Å; A529-H534 WeakPolarHBondContact O-CA 3.38Å; A529-H534 PolarHBondContact O-N 2.96Å; H534-A536 VanDerWaalsContact C-N 3.27Å; H534-A536 PolarHBondContact O-N 3.21Å; H534-C537 HydrophobicContact CB-CB 4.38Å; H534-C537 WeakPolarHBondContact O-CB 3.43Å; H534-C537 PolarHBondContact O-N 3.22Å; H534-A538 PolarHBondContact O-N 3.1Å
535	Q	92.3	Very high	92.9	Very high	100 Å²	100	54.8 Å²	54.8	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-55.2	-38.3	-174.9	-167.2	62.2	41.1	0	0	113.5	G533 C537 A538 D539	G533-Q535 PolarHBondContact O-N 2.99Å; Q535-C537 VanDerWaalsContact C-N 3.25Å; Q535-C537 PolarHBondContact O-N 3.38Å; Q535-A538 WeakPolarHBondContact O-CB 3.26Å; Q535-A538 PolarHBondContact O-N 2.99Å; Q535-A538 VanDerWaalsContact O-N 3.09Å; Q535-D539 PolarHBondContact NE2-OD1 3.47Å; Q535-D539 PolarHBondContact O-N 2.84Å
536	A	92.6	Very high	92.4	Very high	62 Å²	62	60.1 Å²	60.1	51%	0.512	31%	0.309	S	S	.	.	H	α-helix	trans	-58.3	-36.1	177.8	0	0	0	0	0	113	H534 L540	H534-A536 VanDerWaalsContact C-N 3.27Å; H534-A536 PolarHBondContact O-N 3.21Å; A536-L540 WeakPolarHBondContact O-CD1 3.14Å; A536-L540 WeakPolarHBondContact O-CG 2.93Å; A536-L540 PolarHBondContact O-N 3.14Å
537	C	93.7	Very high	91.7	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-72.6	-42.1	175.4	-68.7	0	0	0	0	111.3	G499 V504 A529 H534 Q535 D539 L540 I541	G499-C537 VanDerWaalsContact C-SG 3.55Å; V504-C537 HydrophobicContact CG2-CB 4.3Å; A529-C537 HydrophobicContact CB-CB 3.9Å; H534-C537 HydrophobicContact CB-CB 4.38Å; H534-C537 WeakPolarHBondContact O-CB 3.43Å; H534-C537 PolarHBondContact O-N 3.22Å; Q535-C537 VanDerWaalsContact C-N 3.25Å; Q535-C537 PolarHBondContact O-N 3.38Å; C537-D539 PolarHBondContact O-N 3.16Å; C537-L540 PolarHBondContact O-N 3.26Å; C537-I541 WeakPolarHBondContact O-CD1 3.06Å; C537-I541 VanDerWaalsContact O-CG1 3.29Å; C537-I541 WeakPolarHBondContact O-CG1 3.44Å; C537-I541 PolarHBondContact O-N 3.26Å
538	A	93.4	Very high	90.3	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-45.6	177.1	0	0	0	0	0	111.7	R526 A529 I530 H534 Q535 L540 I541 E542	R526-A538 HydrophobicContact CG-CB 4.26Å; A529-A538 HydrophobicContact CB-CB 3.92Å; I530-A538 HydrophobicContact CD1-CB 4.37Å; I530-A538 HydrophobicContact CG1-CB 3.71Å; H534-A538 PolarHBondContact O-N 3.1Å; Q535-A538 WeakPolarHBondContact O-CB 3.26Å; Q535-A538 PolarHBondContact O-N 2.99Å; Q535-A538 VanDerWaalsContact O-N 3.09Å; A538-L540 VanDerWaalsContact C-N 3.34Å; A538-L540 PolarHBondContact O-N 2.99Å; A538-I541 PolarHBondContact O-N 2.96Å; A538-E542 WeakPolarHBondContact O-CB 3.44Å; A538-E542 PolarHBondContact O-N 3.01Å
539	D	93.3	Very high	88.9	Confident	82 Å²	82	73.6 Å²	73.6	44%	0.439	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-39.5	178.4	-63.9	-16.2	0	0	0	111.7	Q535 C537 K543	Q535-D539 PolarHBondContact NE2-OD1 3.47Å; Q535-D539 PolarHBondContact O-N 2.84Å; C537-D539 PolarHBondContact O-N 3.16Å; D539-K543 PolarHBondContact O-N 2.63Å; D539-K543 WeakPolarHBondContact O-CB 3.15Å
540	L	92.3	Very high	86.7	Confident	53 Å²	53	81.1 Å²	81.1	28%	0.277	41%	0.405	S	S	.	.	H	α-helix	trans	-64.1	-43	176.2	-76.9	169.7	0	0	0	112.1	A501 V504 A536 C537 A538 F544	A501-L540 HydrophobicContact CB-CD1 3.85Å; V504-L540 HydrophobicContact CG1-CB 4.32Å; A536-L540 WeakPolarHBondContact O-CD1 3.14Å; A536-L540 WeakPolarHBondContact O-CG 2.93Å; A536-L540 PolarHBondContact O-N 3.14Å; C537-L540 PolarHBondContact O-N 3.26Å; A538-L540 VanDerWaalsContact C-N 3.34Å; A538-L540 PolarHBondContact O-N 2.99Å; L540-F544 PolarHBondContact O-N 3.33Å
541	I	92.8	Very high	83.9	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-66.1	-49.3	178	-65	159.5	0	0	0	110	A496 V504 L508 P525 R526 C537 A538 K543 F544 I545	A496-I541 HydrophobicContact CB-CD1 4.01Å; V504-I541 HydrophobicContact CG1-CD1 4.32Å; V504-I541 HydrophobicContact CG1-CG1 3.82Å; L508-I541 HydrophobicContact CD1-CB 4.42Å; L508-I541 HydrophobicContact CD1-CG1 3.94Å; P525-I541 HydrophobicContact CB-CD1 4.06Å; R526-I541 HydrophobicContact CB-CB 4.45Å; R526-I541 HydrophobicContact CB-CD1 4.49Å; R526-I541 HydrophobicContact CB-CG2 3.99Å; C537-I541 WeakPolarHBondContact O-CD1 3.06Å; C537-I541 VanDerWaalsContact O-CG1 3.29Å; C537-I541 WeakPolarHBondContact O-CG1 3.44Å; C537-I541 PolarHBondContact O-N 3.26Å; A538-I541 PolarHBondContact O-N 2.96Å; I541-K543 VanDerWaalsContact C-N 3.35Å; I541-K543 PolarHBondContact O-N 3.18Å; I541-F544 WeakPolarHBondContact O-CB 3.17Å; I541-F544 PolarHBondContact O-N 2.86Å; I541-I545 HydrophobicContact CG2-CD1 3.78Å; I541-I545 HydrophobicContact CG2-CG1 4.44Å; I541-I545 WeakPolarHBondContact O-CG1 3.32Å; I541-I545 PolarHBondContact O-N 3.36Å
542	E	92.2	Very high	81.5	Confident	61 Å²	61	82.3 Å²	82.3	29%	0.285	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-43.6	-179.9	-175.2	165.6	175.8	0	0	112	R526 A538 F544 I545 M546	R526-E542 IonicContact CZ-OE2 3.56Å; R526-E542 VanDerWaalsContact CZ-OE2 3.29Å; R526-E542 IonicContact NE-OE2 2.74Å; R526-E542 PolarHBondContact NE-OE2 3.26Å; R526-E542 IonicContact NH2-OE1 3.29Å; R526-E542 IonicContact NH2-OE2 3.48Å; R526-E542 PolarHBondContact NH2-OE2 3.03Å; A538-E542 WeakPolarHBondContact O-CB 3.44Å; A538-E542 PolarHBondContact O-N 3.01Å; E542-F544 PolarHBondContact O-N 2.99Å; E542-I545 PolarHBondContact O-N 3.15Å; E542-M546 WeakPolarHBondContact O-CG 3.43Å; E542-M546 HydrophobicContact CG-CE 4.09Å; E542-M546 PolarHBondContact O-N 3.31Å
543	K	90.2	Very high	78.9	Confident	159 Å²	159	84.5 Å²	84.5	69%	0.691	45%	0.447	S	S	*	.	H	α-helix	trans	-60.4	-34.1	175.1	-175.1	175.4	-178.4	175.9	0	112.5	D539 I541 K547	D539-K543 PolarHBondContact O-N 2.63Å; D539-K543 WeakPolarHBondContact O-CB 3.15Å; I541-K543 VanDerWaalsContact C-N 3.35Å; I541-K543 PolarHBondContact O-N 3.18Å; K543-K547 PolarHBondContact O-N 2.86Å
544	F	88.5	Confident	76.3	Confident	54 Å²	54	85.6 Å²	85.6	24%	0.237	44%	0.442	C	S	.	.	H	α-helix	trans	-73.1	-43.7	177.5	-169.7	-93.4	0	0	0	111.8	L508 K509 P515 L540 I541 E542 K547 K548	L508-F544 HydrophobicContact CB-CD1 4.34Å; L508-F544 HydrophobicContact CB-CD2 4.02Å; L508-F544 HydrophobicContact CB-CE1 4.46Å; L508-F544 HydrophobicContact CB-CE2 4.15Å; L508-F544 HydrophobicContact CB-CG 4.11Å; L508-F544 HydrophobicContact CB-CZ 4.37Å; L508-F544 HydrophobicContact CD1-CB 4.08Å; L508-F544 HydrophobicContact CD1-CG 4.3Å; L508-F544 HydrophobicContact CD2-CD1 3.98Å; L508-F544 HydrophobicContact CD2-CE1 4.26Å; L508-F544 HydrophobicContact CD2-CG 4.4Å; L508-F544 WeakPolarHBondContact O-CE2 3.38Å; L508-F544 VanDerWaalsContact O-CZ 3.24Å; L508-F544 WeakPolarHBondContact O-CZ 3.26Å; K509-F544 HydrophobicContact CG-CD2 4.43Å; K509-F544 HydrophobicContact CG-CE2 4.39Å; P515-F544 HydrophobicContact CB-CD1 4.05Å; P515-F544 HydrophobicContact CG-CD1 4.2Å; P515-F544 HydrophobicContact CG-CE1 4.41Å; L540-F544 PolarHBondContact O-N 3.33Å; I541-F544 WeakPolarHBondContact O-CB 3.17Å; I541-F544 PolarHBondContact O-N 2.86Å; E542-F544 PolarHBondContact O-N 2.99Å; F544-K547 PolarHBondContact O-N 3.48Å; F544-K548 PolarHBondContact O-N 3.43Å
545	I	87.7	Confident	73.7	Confident	22 Å²	22	89.2 Å²	89.2	11%	0.113	46%	0.462	C	S	.	.	H	α-helix	trans	-58.5	-51.6	175.7	-64.6	164.7	0	0	0	110.1	P515 E516 I541 E542 K547 K548 D549	P515-I545 HydrophobicContact CB-CD1 4.34Å; P515-I545 HydrophobicContact CB-CG1 3.72Å; P515-I545 HydrophobicContact CG-CG1 3.97Å; E516-I545 HydrophobicContact CG-CD1 3.51Å; E516-I545 HydrophobicContact CG-CG1 3.97Å; I541-I545 HydrophobicContact CG2-CD1 3.78Å; I541-I545 HydrophobicContact CG2-CG1 4.44Å; I541-I545 WeakPolarHBondContact O-CG1 3.32Å; I541-I545 PolarHBondContact O-N 3.36Å; E542-I545 PolarHBondContact O-N 3.15Å; I545-K547 PolarHBondContact O-N 3.46Å; I545-K547 VanDerWaalsContact O-N 3.08Å; I545-K548 WeakPolarHBondContact O-CB 3.24Å; I545-K548 PolarHBondContact O-N 2.85Å; I545-D549 PolarHBondContact O-N 3.48Å
546	M	84.7	Confident	71.2	Confident	113 Å²	113	91.1 Å²	91.1	56%	0.557	47%	0.471	S	S	*	.	H	α-helix	trans	-59.1	-26	178.4	-72.1	-170.4	173.7	0	0	114	E542	E542-M546 WeakPolarHBondContact O-CG 3.43Å; E542-M546 HydrophobicContact CG-CE 4.09Å; E542-M546 PolarHBondContact O-N 3.31Å
547	K	78.5	Confident	68.8	Low	165 Å²	165	91.6 Å²	91.6	72%	0.717	47%	0.465	S	S	*	.	H	α-helix	trans	-78.9	-30.9	176.9	-166.2	179.7	179.2	-175	0	111.9	K543 F544 I545	K543-K547 PolarHBondContact O-N 2.86Å; F544-K547 PolarHBondContact O-N 3.48Å; I545-K547 PolarHBondContact O-N 3.46Å; I545-K547 VanDerWaalsContact O-N 3.08Å
548	K	67.4	Low	66.5	Low	133 Å²	133	98.6 Å²	98.6	58%	0.578	50%	0.495	S	S	*	.	H	α-helix	trans	-73.6	-34	179	-168.6	-178.8	173.7	-171.3	0	112.1	F544 I545 K550	F544-K548 PolarHBondContact O-N 3.43Å; I545-K548 WeakPolarHBondContact O-CB 3.24Å; I545-K548 PolarHBondContact O-N 2.85Å; K548-K550 VanDerWaalsContact C-N 3.31Å; K548-K550 PolarHBondContact O-N 3.37Å
549	D	61.7	Low	64	Low	122 Å²	122	103.8 Å²	103.8	65%	0.652	52%	0.522	S	S	*	.	S	Bend	trans	-78.7	-8.6	179.4	-71.1	-23.9	0	0	0	114.6	I545 P551	I545-D549 PolarHBondContact O-N 3.48Å; D549-P551 VanDerWaalsContact O-CD 3.32Å; D549-P551 WeakPolarHBondContact O-CD 3.33Å
550	K	50.2	Low	61.7	Low	158 Å²	158	105.7 Å²	105.7	69%	0.687	53%	0.528	S	S	*	.	S	Bend	trans	-74.6	117.3	171.7	-74.6	-176.3	-180	-174.5	0	108.8	K548 A552	K548-K550 VanDerWaalsContact C-N 3.31Å; K548-K550 PolarHBondContact O-N 3.37Å; K550-A552 PolarHBondContact O-N 2.75Å
551	P	35.5	Very low	59.4	Low	118 Å²	118	108.6 Å²	108.6	77%	0.766	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-57.7	132.1	176.7	22.2	-30.5	0	0	0	109.1	D549 E553	D549-P551 VanDerWaalsContact O-CD 3.32Å; D549-P551 WeakPolarHBondContact O-CD 3.33Å; P551-E553 PolarHBondContact O-N 3.4Å; P551-E553 VanDerWaalsContact O-N 3.12Å
552	A	43.2	Very low	57.2	Low	90 Å²	90	115 Å²	115	74%	0.744	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-53.1	121.2	173.5	0	0	0	0	0	108.1	K550 T554	K550-A552 PolarHBondContact O-N 2.75Å; A552-T554 PolarHBondContact O-N 3.32Å
553	E	38.5	Very low	55.2	Low	155 Å²	155	117.5 Å²	117.5	72%	0.724	59%	0.592	S	S	*	*			trans	-57.4	103.4	171.9	-79.2	179.3	164.5	0	0	107.9	P551	P551-E553 PolarHBondContact O-N 3.4Å; P551-E553 VanDerWaalsContact O-N 3.12Å
554	T	37.3	Very low	53.4	Low	84 Å²	84	115.6 Å²	115.6	52%	0.515	59%	0.588	S	S	.	*			trans	-55.6	140.9	177.2	-29.1	0	0	0	0	108.3	A552 E556 N557	A552-T554 PolarHBondContact O-N 3.32Å; T554-E556 PolarHBondContact O-N 3.42Å; T554-N557 PolarHBondContact O-N 3.43Å
555	I	41.2	Very low	51.4	Low	140 Å²	140	119.7 Å²	119.7	72%	0.718	61%	0.612	S	S	*	*	H	α-helix	trans	-51.1	-24.4	178.3	-68.6	170.7	0	0	0	112	N557 K558 L559	I555-N557 VanDerWaalsContact C-N 3.34Å; I555-N557 PolarHBondContact O-N 3.25Å; I555-K558 PolarHBondContact O-N 3.16Å; I555-L559 PolarHBondContact O-N 3.23Å
556	E	40.5	Very low	49.3	Very low	140 Å²	140	127.5 Å²	127.5	65%	0.654	65%	0.646	S	S	*	*	H	α-helix	trans	-56.2	-38.8	171.2	-74	175.6	153.2	0	0	113.7	T554 K558 L559 E560	T554-E556 PolarHBondContact O-N 3.42Å; E556-K558 VanDerWaalsContact C-N 3.31Å; E556-K558 PolarHBondContact O-N 3.5Å; E556-L559 PolarHBondContact O-N 2.95Å; E556-E560 PolarHBondContact O-N 3.43Å; E556-E560 VanDerWaalsContact O-N 3.1Å
557	N	42.7	Very low	47.1	Very low	73 Å²	73	132.5 Å²	132.5	39%	0.39	67%	0.674	S	S	.	*	H	α-helix	trans	-71.1	-23.3	-179.9	-77.4	-1.5	0	0	0	113.4	T554 I555 N561	T554-N557 PolarHBondContact O-N 3.43Å; I555-N557 VanDerWaalsContact C-N 3.34Å; I555-N557 PolarHBondContact O-N 3.25Å; N557-N561 PolarHBondContact O-N 3.3Å; N557-N561 PolarHBondContact O-ND2 3.08Å; N557-N561 VanDerWaalsContact O-ND2 3.15Å
558	K	44.4	Very low	45.5	Very low	149 Å²	149	130.9 Å²	130.9	65%	0.648	67%	0.672	S	S	*	*	H	α-helix	trans	-77.3	-29.8	173.7	-81.5	-175.3	176	177.8	0	112.2	I555 E556 L562	I555-K558 PolarHBondContact O-N 3.16Å; E556-K558 VanDerWaalsContact C-N 3.31Å; E556-K558 PolarHBondContact O-N 3.5Å; K558-L562 PolarHBondContact O-N 2.91Å
559	L	41.4	Very low	44.3	Very low	109 Å²	109	130.7 Å²	130.7	57%	0.571	68%	0.677	S	S	*	*	H	α-helix	trans	-75.3	-40.2	175.4	-99.4	142.6	0	0	0	111.7	I555 E556 N561 L562 I563	I555-L559 PolarHBondContact O-N 3.23Å; E556-L559 PolarHBondContact O-N 2.95Å; L559-N561 PolarHBondContact O-N 3.1Å; L559-L562 PolarHBondContact O-N 3.16Å; L559-I563 WeakPolarHBondContact O-CG1 3.19Å; L559-I563 PolarHBondContact O-N 3.32Å
560	E	44.9	Very low	43.4	Very low	122 Å²	122	131.2 Å²	131.2	57%	0.57	68%	0.678	S	S	*	*	H	α-helix	trans	-64.2	-41	176.5	-75.9	-170.6	156.4	0	0	112.7	E556 L562 I563 I564	E556-E560 PolarHBondContact O-N 3.43Å; E556-E560 VanDerWaalsContact O-N 3.1Å; E560-L562 VanDerWaalsContact C-N 3.29Å; E560-L562 PolarHBondContact O-N 3.47Å; E560-I563 PolarHBondContact O-N 2.83Å; E560-I564 WeakPolarHBondContact O-CG1 3.48Å; E560-I564 PolarHBondContact O-N 3.35Å; E560-I564 VanDerWaalsContact O-N 3.16Å
561	N	44.4	Very low	43	Very low	113 Å²	113	129.6 Å²	129.6	60%	0.604	68%	0.678	S	S	*	*	H	α-helix	trans	-70.3	-22.3	179	-78.4	-37.2	0	0	0	114.1	N557 L559	N557-N561 PolarHBondContact O-N 3.3Å; N557-N561 PolarHBondContact O-ND2 3.08Å; N557-N561 VanDerWaalsContact O-ND2 3.15Å; L559-N561 PolarHBondContact O-N 3.1Å
562	L	45.8	Very low	43.4	Very low	135 Å²	135	130.4 Å²	130.4	71%	0.707	67%	0.672	S	S	*	*	H	α-helix	trans	-81.3	-26.6	174.1	-101.8	152.1	0	0	0	112.7	K558 L559 E560	K558-L562 PolarHBondContact O-N 2.91Å; L559-L562 PolarHBondContact O-N 3.16Å; E560-L562 VanDerWaalsContact C-N 3.29Å; E560-L562 PolarHBondContact O-N 3.47Å
563	I	51	Low	43.5	Very low	113 Å²	113	133.1 Å²	133.1	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-81.6	-34.5	179.2	-65.6	167.4	0	0	0	111	L559 E560 N565	L559-I563 WeakPolarHBondContact O-CG1 3.19Å; L559-I563 PolarHBondContact O-N 3.32Å; E560-I563 PolarHBondContact O-N 2.83Å; I563-N565 VanDerWaalsContact C-N 3.34Å; I563-N565 PolarHBondContact O-N 3.31Å
564	I	51.4	Low	43.8	Very low	119 Å²	119	131.5 Å²	131.5	61%	0.61	66%	0.664	S	S	*	*	H	α-helix	trans	-72.2	-25.1	-175.9	-66.2	170.3	0	0	0	112.9	E560 K566	E560-I564 WeakPolarHBondContact O-CG1 3.48Å; E560-I564 PolarHBondContact O-N 3.35Å; E560-I564 VanDerWaalsContact O-N 3.16Å; I564-K566 PolarHBondContact O-N 3.34Å
565	N	47.7	Very low	44.3	Very low	141 Å²	141	135.2 Å²	135.2	75%	0.754	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	22.6	-179	-82.3	-27.7	0	0	0	115.2	I563	I563-N565 VanDerWaalsContact C-N 3.34Å; I563-N565 PolarHBondContact O-N 3.31Å
566	K	42.3	Very low	44.6	Very low	186 Å²	186	134.8 Å²	134.8	81%	0.809	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.5	13.5	174.5	-91.8	-165	178.1	-176.3	0	116.6	I564	I564-K566 PolarHBondContact O-N 3.34Å
567	N	38.6	Very low	44.9	Very low	217 Å²	217	134.3 Å²	134.3	100%	1.16	67%	0.673	S	S	*	*			trans	-115.2	0	161.4	-71.1	-27.3	0	0	0	109.4

Retrieved 567 of 567 residues in 303.3 ms (Link to these results)

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