A0A061IBG9_CRIGR Loading...

alanine transaminase

Catalyzes the reversible transamination between alanine and 2-oxoglutarate to form pyruvate and glutamate.

AlphaFold DB , UniProt , Accession A0A061IBG9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gpt2, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	29.5	Very low	240 Å²	240	170.8 Å²	170.8	100%	1.182	89%	0.89	S	S	*	*				0	79	0	-75.1	171.1	177.8	0	0	107.7
2	Q	29.7	Very low	29.3	Very low	198 Å²	198	167.4 Å²	167.4	93%	0.925	89%	0.891	S	S	*	*				87	100	103.4	-106.9	178.6	-7.2	0	0	112.8
3	R	29.5	Very low	29.1	Very low	251 Å²	251	164.1 Å²	164.1	95%	0.947	89%	0.887	S	S	*	*			trans	-76.2	154.3	168.3	-70.2	175.2	169.2	-178.5	-3.9	110
4	A	29	Very low	29.9	Very low	109 Å²	109	161.4 Å²	161.4	90%	0.901	88%	0.883	S	S	*	*			trans	-122.3	122.1	156.3	0	0	0	0	0	109.9
5	A	30.6	Very low	30	Very low	91 Å²	91	167.1 Å²	167.1	75%	0.752	89%	0.886	S	S	*	*			trans	-103.4	151.3	172.6	0	0	0	0	0	108.8
6	V	29.6	Very low	30	Very low	156 Å²	156	163.4 Å²	163.4	95%	0.945	89%	0.886	S	S	*	*			trans	-110	123.9	168.4	176.2	0	0	0	0	108.7
7	L	28	Very low	30	Very low	157 Å²	157	161.3 Å²	161.3	82%	0.822	89%	0.886	S	S	*	*			trans	-120.4	148.9	-176.9	-146.7	117.2	0	0	0	110
8	V	30	Very low	29.9	Very low	119 Å²	119	156.5 Å²	156.5	72%	0.721	88%	0.88	S	S	*	*			trans	-69.6	150.9	-179.6	172.4	0	0	0	0	113.9
9	R	27.1	Very low	30.2	Very low	237 Å²	237	153.7 Å²	153.7	89%	0.894	87%	0.869	S	S	*	*			trans	179.9	126.5	142.6	-98.5	167.8	-172.1	-151.5	3	108.8
10	R	28.7	Very low	30.1	Very low	247 Å²	247	158.7 Å²	158.7	93%	0.932	87%	0.874	S	S	*	*				75	122.7	59.2	-88.2	-161.7	-177.6	-170.1	3	117
11	G	26.3	Very low	30.1	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	87%	0.868	S	S	*	*			trans	158	136.5	157.9	0	0	0	0	0	109.5
12	S	27.1	Very low	29.9	Very low	130 Å²	130	154.9 Å²	154.9	91%	0.909	86%	0.856	S	S	*	*			cis	-171.5	154.8	10	22.1	0	0	0	0	111.1
13	C	26.8	Very low	29.9	Very low	124 Å²	124	150 Å²	150	84%	0.838	84%	0.844	S	S	*	*			trans	-34.6	177.2	174.6	-87.6	0	0	0	0	121.7
14	P	41.2	Very low	29.9	Very low	127 Å²	127	146.4 Å²	146.4	83%	0.825	84%	0.837	S	S	*	*			cis	-141.5	176.9	23.8	33.8	-9.3	0	0	0	119.7
15	R	30.6	Very low	30	Very low	247 Å²	247	146.5 Å²	146.5	93%	0.932	83%	0.832	S	S	*	*			trans	-80.3	156.8	-179.1	-69.9	174.5	170.3	-173.2	-4.5	114.6
16	A	29.8	Very low	29.9	Very low	108 Å²	108	148.1 Å²	148.1	89%	0.893	84%	0.837	S	S	*	*			trans	-140.5	159.3	149.6	0	0	0	0	0	111.2
17	S	30.2	Very low	30	Very low	127 Å²	127	145.3 Å²	145.3	89%	0.888	83%	0.83	S	S	*	*			trans	-96.2	157.7	-150.3	46.9	0	0	0	0	117.4
18	G	27.7	Very low	30.4	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	83%	0.832	S	S	*	*			trans	-172.6	125.8	160.9	0	0	0	0	0	112.7
19	P	37.2	Very low	30.4	Very low	104 Å²	104	142.1 Å²	142.1	68%	0.675	84%	0.839	S	S	*	*			trans	-115.2	176.9	-178.6	23.2	-1.6	0	0	0	114.7
20	W	28.5	Very low	31	Very low	252 Å²	252	140.5 Å²	140.5	96%	0.955	84%	0.842	S	S	*	*			trans	84.1	136.1	167.5	-48.1	93.5	0	0	0	115.5
21	G	29.2	Very low	31.3	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	84%	0.835	S	S	*	*			cis	154.6	137.7	11.7	0	0	0	0	0	106.6
22	R	30.4	Very low	32.2	Very low	246 Å²	246	135.8 Å²	135.8	93%	0.928	84%	0.841	S	S	*	*			trans	-79.6	145.8	180	-68.8	-179.8	-179.1	-159.6	0	111.5
23	S	30.5	Very low	32.8	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	83%	0.832	S	S	*	*				137.3	145.3	114.6	77.7	0	0	0	0	117.1
24	H	30.3	Very low	33.5	Very low	174 Å²	174	132.2 Å²	132.2	81%	0.806	83%	0.828	S	S	*	*			trans	90.9	111.7	155.2	-63.1	-36.3	0	0	0	123.1
25	S	30.5	Very low	33.4	Very low	112 Å²	112	133.8 Å²	133.8	78%	0.783	83%	0.829	S	S	*	*			trans	53.6	122.4	133.4	70.7	0	0	0	0	121.5
26	S	28.5	Very low	34.1	Very low	125 Å²	125	131.3 Å²	131.3	87%	0.874	83%	0.825	S	S	*	*				-163.1	149.3	118.9	55.5	0	0	0	0	110.3
27	A	31.3	Very low	34.9	Very low	96 Å²	96	132.2 Å²	132.2	79%	0.793	82%	0.819	S	S	*	*			trans	-91.8	160	-174.3	0	0	0	0	0	112.6
28	A	36.7	Very low	36	Very low	105 Å²	105	136.4 Å²	136.4	87%	0.868	82%	0.815	S	S	*	*			trans	76.7	107.2	152.8	0	0	0	0	0	119.4
29	A	29.8	Very low	37.3	Very low	104 Å²	104	138.4 Å²	138.4	86%	0.86	81%	0.814	S	S	*	*			trans	-156.6	123.8	132.1	0	0	0	0	0	109.3
30	E	40.1	Very low	38.4	Very low	203 Å²	203	142.4 Å²	142.4	95%	0.949	82%	0.824	S	S	*	*			trans	-66.1	129.7	178.1	-68.6	170.7	140.9	0	0	111.4
31	A	34.8	Very low	39.9	Very low	97 Å²	97	141.5 Å²	141.5	80%	0.802	82%	0.821	S	S	*	*			trans	-129.4	101	162.2	0	0	0	0	0	108.4	A33	A31-A33 PolarHBondContact O-N 3.34Å; A31-A33 VanDerWaalsContact O-N 3.08Å
32	S	44.3	Very low	41.6	Very low	126 Å²	126	142.7 Å²	142.7	88%	0.881	82%	0.817	S	S	*	*			trans	-65.2	101	171.6	176.2	0	0	0	0	109.8
33	A	40.4	Very low	43.6	Very low	86 Å²	86	136.5 Å²	136.5	71%	0.711	81%	0.809	S	S	*	*			trans	-112.4	98.7	159.6	0	0	0	0	0	107	A31 L35	A31-A33 PolarHBondContact O-N 3.34Å; A31-A33 VanDerWaalsContact O-N 3.08Å; A33-L35 PolarHBondContact O-N 3.29Å
34	A	41.8	Very low	45.9	Very low	92 Å²	92	141.9 Å²	141.9	76%	0.76	81%	0.814	S	S	*	*			trans	-56.7	98.5	173.8	0	0	0	0	0	109.8	K36	A34-K36 PolarHBondContact O-N 3.14Å
35	L	37.9	Very low	48.4	Very low	161 Å²	161	140.6 Å²	140.6	84%	0.843	81%	0.813	S	S	*	*			trans	-61.8	102.2	161.5	-95.8	141.8	0	0	0	106.5	A33 V37	A33-L35 PolarHBondContact O-N 3.29Å; L35-V37 VanDerWaalsContact C-N 3.28Å; L35-V37 PolarHBondContact O-N 3.1Å
36	K	45.3	Very low	51.2	Low	194 Å²	194	145.5 Å²	145.5	84%	0.843	82%	0.815	S	S	*	*			trans	-57	99.3	164.1	-78.5	-176.4	178.2	179.4	0	107.1	A34 R38	A34-K36 PolarHBondContact O-N 3.14Å; K36-R38 PolarHBondContact O-N 3.04Å
37	V	48	Very low	54	Low	127 Å²	127	145.8 Å²	145.8	77%	0.77	81%	0.805	S	S	*	*			trans	-54.1	113.1	167.3	178.7	0	0	0	0	105.5	L35	L35-V37 VanDerWaalsContact C-N 3.28Å; L35-V37 PolarHBondContact O-N 3.1Å
38	R	53.8	Low	56.9	Low	216 Å²	216	147.3 Å²	147.3	82%	0.815	80%	0.799	S	S	*	*			trans	-55.5	132.1	170.5	-75.3	-178.5	175.3	-176.7	-1.4	106.2	K36 E40	K36-R38 PolarHBondContact O-N 3.04Å; R38-E40 PolarHBondContact O-N 2.95Å
39	P	54.7	Low	59.6	Low	116 Å²	116	144.9 Å²	144.9	75%	0.753	77%	0.773	S	S	*	*			trans	-53	131.2	174.8	23	-31.5	0	0	0	107.3	R41	P39-R41 PolarHBondContact O-N 3.18Å
40	E	58.9	Low	62.4	Low	188 Å²	188	146.1 Å²	146.1	88%	0.879	77%	0.765	S	S	*	*			trans	-46.6	115.8	174.4	-75.7	-176.3	153.8	0	0	107.1	R38 S42	R38-E40 PolarHBondContact O-N 2.95Å; E40-S42 PolarHBondContact O-N 3.03Å; E40-S42 VanDerWaalsContact O-N 3.1Å
41	R	60	Low	64.9	Low	234 Å²	234	144.7 Å²	144.7	88%	0.883	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-55.1	124.1	172.5	-82.9	179.8	170.2	177.7	-4.6	105.6	P39	P39-R41 PolarHBondContact O-N 3.18Å
42	S	65.9	Low	67.6	Low	98 Å²	98	143.3 Å²	143.3	69%	0.685	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-46.7	141.4	169.8	61.4	0	0	0	0	108.4	E40 R44	E40-S42 PolarHBondContact O-N 3.03Å; E40-S42 VanDerWaalsContact O-N 3.1Å; S42-R44 PolarHBondContact O-N 2.83Å
43	P	71.7	Confident	70	Confident	115 Å²	115	140.3 Å²	140.3	75%	0.747	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-51.1	124.2	176.1	-20.1	29.2	0	0	0	107.8	D45	P43-D45 PolarHBondContact O-N 2.98Å; P43-D45 VanDerWaalsContact O-N 3.14Å
44	R	79.6	Confident	72.6	Confident	211 Å²	211	139.9 Å²	139.9	80%	0.796	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-55.2	123.7	178.8	-179.7	-178.2	179.5	-179.2	1	107.8	S42 R46	S42-R44 PolarHBondContact O-N 2.83Å; R44-R46 PolarHBondContact O-N 2.84Å
45	D	83.4	Confident	75.1	Confident	147 Å²	147	139.8 Å²	139.8	79%	0.786	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-52	131.6	176.1	-68.8	-36.3	0	0	0	109.6	P43 I47	P43-D45 PolarHBondContact O-N 2.98Å; P43-D45 VanDerWaalsContact O-N 3.14Å; D45-I47 PolarHBondContact O-N 3.08Å
46	R	87.7	Confident	77.8	Confident	214 Å²	214	135 Å²	135	81%	0.808	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-70.1	120.5	-179.7	-67.6	-170.1	-178.2	-162.8	2.7	108.1	R44 L48 T49	R44-R46 PolarHBondContact O-N 2.84Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-T49 HydrophobicContact CB-CG2 4.01Å
47	I	88.7	Confident	80	Confident	132 Å²	132	129.2 Å²	129.2	68%	0.677	65%	0.647	S	S	*	*	S	Bend	trans	-66.4	-37.8	178	-63.3	174.5	0	0	0	110.8	D45 S52	D45-I47 PolarHBondContact O-N 3.08Å; I47-S52 WeakPolarHBondContact O-CB 3.38Å; I47-S52 PolarHBondContact O-OG 3.07Å
48	L	92.1	Very high	82.1	Confident	127 Å²	127	127.5 Å²	127.5	67%	0.665	63%	0.629	S	S	*	*			trans	-103.6	111.5	178.4	-172.2	64.5	0	0	0	110.1	R46 S52 M53	R46-L48 VanDerWaalsContact C-N 3.32Å; L48-S52 WeakPolarHBondContact CA-OG 3.46Å; L48-M53 HydrophobicContact CD1-CB 4.37Å
49	T	92.2	Very high	83.8	Confident	54 Å²	54	119.8 Å²	119.8	33%	0.331	61%	0.611	S	S	.	*			trans	-132.1	171.2	173.6	66.1	0	0	0	0	108.8	R46 E51 S52 M53	R46-T49 HydrophobicContact CB-CG2 4.01Å; T49-E51 PolarHBondContact O-N 3.46Å; T49-E51 PolarHBondContact OG1-N 3.06Å; T49-S52 PolarHBondContact N-OG 3.07Å; T49-S52 PolarHBondContact O-N 2.87Å; T49-S52 PolarHBondContact O-OG 3.33Å; T49-S52 PolarHBondContact OG1-N 3.35Å; T49-S52 PolarHBondContact OG1-OG 3.26Å; T49-M53 WeakPolarHBondContact O-CB 3.39Å; T49-M53 PolarHBondContact O-N 3.38Å
50	L	89.5	Confident	85.5	Confident	131 Å²	131	116.7 Å²	116.7	69%	0.686	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-29	172.9	-173.3	63.1	0	0	0	111.7	K58	L50-K58 HydrophobicContact CD1-CD 4.36Å; L50-K58 HydrophobicContact CD1-CG 4.46Å; L50-K58 WeakPolarHBondContact O-CD 3.49Å; L50-K58 PolarHBondContact O-NZ 3.49Å
51	E	92	Very high	86.7	Confident	173 Å²	173	115.3 Å²	115.3	81%	0.808	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-46.9	177.2	-65.4	174.8	-177.8	0	0	111.4	T49 K58	T49-E51 PolarHBondContact O-N 3.46Å; T49-E51 PolarHBondContact OG1-N 3.06Å; E51-K58 PolarHBondContact O-NZ 3.3Å
52	S	92.6	Very high	87.8	Confident	67 Å²	67	107.9 Å²	107.9	47%	0.469	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.5	-9.5	-175.3	69.5	0	0	0	0	115.2	I47 L48 T49	I47-S52 WeakPolarHBondContact O-CB 3.38Å; I47-S52 PolarHBondContact O-OG 3.07Å; L48-S52 WeakPolarHBondContact CA-OG 3.46Å; T49-S52 PolarHBondContact N-OG 3.07Å; T49-S52 PolarHBondContact O-N 2.87Å; T49-S52 PolarHBondContact O-OG 3.33Å; T49-S52 PolarHBondContact OG1-N 3.35Å; T49-S52 PolarHBondContact OG1-OG 3.26Å
53	M	94.2	Very high	88.2	Confident	63 Å²	63	104.6 Å²	104.6	31%	0.31	54%	0.535	S	S	.	.	S	Bend	trans	-65.9	148.5	179.1	-172.3	-178.7	-56	0	0	112.1	L48 T49 V57 K58	L48-M53 HydrophobicContact CD1-CB 4.37Å; T49-M53 WeakPolarHBondContact O-CB 3.39Å; T49-M53 PolarHBondContact O-N 3.38Å; M53-V57 HydrophobicContact SD-CG1 4.08Å; M53-K58 HydrophobicContact CB-CD 4.13Å; M53-K58 HydrophobicContact CB-CG 4.15Å; M53-K58 HydrophobicContact CG-CG 4.21Å; M53-K58 WeakPolarHBondContact O-CE 3.12Å; M53-K58 PolarHBondContact O-NZ 3.17Å; M53-K58 HydrophobicContact SD-CG 4.18Å
54	N	94.9	Very high	88.3	Confident	77 Å²	77	99.6 Å²	99.6	41%	0.412	50%	0.503	S	S	.	.			trans	-49.7	121.6	177.3	179.3	-6.5	0	0	0	110.6	Q56 V57 K58	N54-Q56 PolarHBondContact O-N 3.18Å; N54-Q56 PolarHBondContact OD1-N 3.33Å; N54-V57 HydrophobicContact CB-CB 4.33Å; N54-V57 HydrophobicContact CB-CG2 3.99Å; N54-V57 PolarHBondContact O-N 3.24Å; N54-K58 PolarHBondContact O-N 3.05Å; N54-K58 VanDerWaalsContact O-N 3.12Å
55	P	93.8	Very high	88.1	Confident	90 Å²	90	98.5 Å²	98.5	58%	0.584	50%	0.499	S	S	*	.	H	α-helix	trans	-55.7	-35.6	-179.4	22.8	-34.6	0	0	0	114	V57 K58 A59	P55-V57 VanDerWaalsContact C-N 3.32Å; P55-V57 PolarHBondContact O-N 3.03Å; P55-K58 WeakPolarHBondContact O-CB 3.14Å; P55-K58 PolarHBondContact O-N 3.37Å; P55-A59 PolarHBondContact O-N 2.92Å; P55-A59 VanDerWaalsContact O-N 3.08Å
56	Q	94.6	Very high	88.1	Confident	62 Å²	62	92.2 Å²	92.2	29%	0.29	47%	0.469	S	S	.	.	H	α-helix	trans	-61.5	-42.6	177.1	-70.5	166.1	-18.4	0	0	111.2	N54 K58 A59 V60 E224 D226	N54-Q56 PolarHBondContact O-N 3.18Å; N54-Q56 PolarHBondContact OD1-N 3.33Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 2.83Å; Q56-A59 PolarHBondContact O-N 3.23Å; Q56-V60 WeakPolarHBondContact O-CG2 3.22Å; Q56-V60 PolarHBondContact O-N 2.91Å; Q56-E224 PolarHBondContact OE1-O 3.41Å; Q56-D226 HydrophobicContact CG-CB 4.02Å
57	V	92.4	Very high	88.1	Confident	71 Å²	71	86 Å²	86	43%	0.43	46%	0.456	S	S	.	.	H	α-helix	trans	-67.5	-35.7	177	178.9	0	0	0	0	111.4	M53 N54 P55 A59 V60	M53-V57 HydrophobicContact SD-CG1 4.08Å; N54-V57 HydrophobicContact CB-CB 4.33Å; N54-V57 HydrophobicContact CB-CG2 3.99Å; N54-V57 PolarHBondContact O-N 3.24Å; P55-V57 VanDerWaalsContact C-N 3.32Å; P55-V57 PolarHBondContact O-N 3.03Å; V57-A59 PolarHBondContact O-N 2.66Å; V57-V60 WeakPolarHBondContact O-CB 3.5Å; V57-V60 PolarHBondContact O-N 3.4Å
58	K	90.8	Very high	88.2	Confident	91 Å²	91	79.8 Å²	79.8	40%	0.396	42%	0.424	S	S	.	.	H	α-helix	trans	-65.5	-29	175.6	-65	-176	-66.2	-165.7	0	112.7	L50 E51 M53 N54 P55 Q56	L50-K58 HydrophobicContact CD1-CD 4.36Å; L50-K58 HydrophobicContact CD1-CG 4.46Å; L50-K58 WeakPolarHBondContact O-CD 3.49Å; L50-K58 PolarHBondContact O-NZ 3.49Å; E51-K58 PolarHBondContact O-NZ 3.3Å; M53-K58 HydrophobicContact CB-CD 4.13Å; M53-K58 HydrophobicContact CB-CG 4.15Å; M53-K58 HydrophobicContact CG-CG 4.21Å; M53-K58 WeakPolarHBondContact O-CE 3.12Å; M53-K58 PolarHBondContact O-NZ 3.17Å; M53-K58 HydrophobicContact SD-CG 4.18Å; N54-K58 PolarHBondContact O-N 3.05Å; N54-K58 VanDerWaalsContact O-N 3.12Å; P55-K58 WeakPolarHBondContact O-CB 3.14Å; P55-K58 PolarHBondContact O-N 3.37Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 2.83Å
59	A	89.8	Confident	88.1	Confident	54 Å²	54	74.9 Å²	74.9	45%	0.446	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.4	176.9	0	0	0	0	0	113.6	P55 Q56 V57 E61 S223	P55-A59 PolarHBondContact O-N 2.92Å; P55-A59 VanDerWaalsContact O-N 3.08Å; Q56-A59 PolarHBondContact O-N 3.23Å; V57-A59 PolarHBondContact O-N 2.66Å; A59-E61 PolarHBondContact O-N 3.2Å; A59-S223 PolarHBondContact O-OG 3.28Å
60	V	90.5	Very high	88.1	Confident	52 Å²	52	78 Å²	78	32%	0.315	41%	0.413	S	S	.	.			trans	-76.2	117.3	175.7	175.2	0	0	0	0	109.7	Q56 V57 A220 E224	Q56-V60 WeakPolarHBondContact O-CG2 3.22Å; Q56-V60 PolarHBondContact O-N 2.91Å; V57-V60 WeakPolarHBondContact O-CB 3.5Å; V57-V60 PolarHBondContact O-N 3.4Å; V60-A220 HydrophobicContact CG1-CB 3.76Å; V60-E224 HydrophobicContact CG2-CB 4.13Å
61	E	84.8	Confident	88.3	Confident	159 Å²	159	73.9 Å²	73.9	74%	0.743	39%	0.39	S	S	*	.			trans	-113.9	138.8	170.4	-63.6	-172.5	174	0	0	110.5	A59	A59-E61 PolarHBondContact O-N 3.2Å
62	Y	82.4	Confident	88.5	Confident	77 Å²	77	65.7 Å²	65.7	30%	0.302	35%	0.352	S	S	.	.			trans	-140.7	85.6	178.1	-167.7	-104	0	0	0	111.3	V64 R65 Y215 P216 L217 A220	Y62-V64 HydrophobicContact CD1-CB 4.26Å; Y62-V64 HydrophobicContact CE1-CB 3.74Å; Y62-V64 HydrophobicContact CE1-CG1 4.45Å; Y62-V64 HydrophobicContact CE1-CG2 4.4Å; Y62-V64 PolarHBondContact O-N 3.32Å; Y62-V64 VanDerWaalsContact O-N 3.12Å; Y62-R65 HydrophobicContact CD1-CB 4.42Å; Y62-R65 HydrophobicContact CD1-CG 4.37Å; Y62-R65 HydrophobicContact CE1-CG 4.36Å; Y62-R65 PolarHBondContact O-N 3.33Å; Y62-R65 VanDerWaalsContact O-N 3.14Å; Y62-Y215 PolarHBondContact OH-OH 2.83Å; Y62-P216 HydrophobicContact CD2-CB 3.88Å; Y62-P216 HydrophobicContact CE2-CB 4.03Å; Y62-L217 HydrophobicContact CE2-CB 4.48Å; Y62-A220 HydrophobicContact CD2-CB 4.47Å
63	A	74.4	Confident	88.6	Confident	29 Å²	29	63.2 Å²	63.2	24%	0.24	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-62.1	-24.1	-168.3	0	0	0	0	0	115.2	R65 G66 G482	A63-R65 PolarHBondContact O-N 3.27Å; A63-G66 PolarHBondContact O-N 3.25Å; A63-G482 WeakPolarHBondContact CB-O 3.3Å
64	V	74.1	Confident	88.7	Confident	11 Å²	11	64.9 Å²	64.9	7%	0.067	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-60.8	-17.6	178	-177.2	0	0	0	0	112.1	Y62 P216 F483	Y62-V64 HydrophobicContact CD1-CB 4.26Å; Y62-V64 HydrophobicContact CE1-CB 3.74Å; Y62-V64 HydrophobicContact CE1-CG1 4.45Å; Y62-V64 HydrophobicContact CE1-CG2 4.4Å; Y62-V64 PolarHBondContact O-N 3.32Å; Y62-V64 VanDerWaalsContact O-N 3.12Å; V64-P216 HydrophobicContact CG2-CG 4.19Å; V64-F483 HydrophobicContact CG2-CE1 4.2Å; V64-F483 HydrophobicContact CG2-CZ 4.43Å
65	R	75.4	Confident	88.9	Confident	187 Å²	187	61.3 Å²	61.3	71%	0.706	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-125.8	31.5	173.6	-62.8	-172.1	174.7	-162.7	-1.6	112.9	Y62 A63	Y62-R65 HydrophobicContact CD1-CB 4.42Å; Y62-R65 HydrophobicContact CD1-CG 4.37Å; Y62-R65 HydrophobicContact CE1-CG 4.36Å; Y62-R65 PolarHBondContact O-N 3.33Å; Y62-R65 VanDerWaalsContact O-N 3.14Å; A63-R65 PolarHBondContact O-N 3.27Å
66	G	82.3	Confident	89	Confident	15 Å²	15	59.5 Å²	59.5	16%	0.155	31%	0.308	C	S	.	.	S	Bend	trans	-84.6	-160.3	-175.5	0	0	0	0	0	115.7	A63 I68 V69 L70	A63-G66 PolarHBondContact O-N 3.25Å; G66-I68 VanDerWaalsContact C-N 3.28Å; G66-I68 PolarHBondContact O-N 3.28Å; G66-I68 VanDerWaalsContact O-N 3.15Å; G66-V69 WeakPolarHBondContact O-CB 3.15Å; G66-V69 PolarHBondContact O-N 2.7Å; G66-L70 PolarHBondContact O-N 3.09Å
67	P	87.8	Confident	89.1	Confident	84 Å²	84	61.6 Å²	61.6	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-53	-37	-173.8	-29.2	35.7	0	0	0	115.3	V69 L70 K71	P67-V69 VanDerWaalsContact C-N 3.26Å; P67-V69 PolarHBondContact O-N 3.25Å; P67-L70 WeakPolarHBondContact O-CB 3.08Å; P67-L70 PolarHBondContact O-N 3.06Å; P67-L70 VanDerWaalsContact O-N 3.16Å; P67-K71 PolarHBondContact O-N 3.27Å
68	I	91.1	Very high	89.4	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-32.1	178.9	-163.1	156.9	0	0	0	112.7	G66 K71 A72 C466 M467 L470 V477	G66-I68 VanDerWaalsContact C-N 3.28Å; G66-I68 PolarHBondContact O-N 3.28Å; G66-I68 VanDerWaalsContact O-N 3.15Å; I68-K71 PolarHBondContact O-N 3.44Å; I68-A72 WeakPolarHBondContact O-CB 3.49Å; I68-A72 PolarHBondContact O-N 3.02Å; I68-C466 HydrophobicContact CD1-CB 3.42Å; I68-C466 VanDerWaalsContact CD1-CB 3.42Å; I68-M467 HydrophobicContact CB-SD 4.26Å; I68-M467 HydrophobicContact CG1-SD 4.12Å; I68-L470 HydrophobicContact CG1-CD2 3.84Å; I68-L470 WeakPolarHBondContact O-CD2 3.46Å; I68-V477 WeakPolarHBondContact CD1-O 3.22Å
69	V	90.1	Very high	89.7	Confident	25 Å²	25	57.7 Å²	57.7	15%	0.152	30%	0.299	C	S	.	.	H	α-helix	trans	-73.8	-35.7	176.5	-179.4	0	0	0	0	110.8	G66 P67 A72 G73	G66-V69 WeakPolarHBondContact O-CB 3.15Å; G66-V69 PolarHBondContact O-N 2.7Å; P67-V69 VanDerWaalsContact C-N 3.26Å; P67-V69 PolarHBondContact O-N 3.25Å; V69-A72 PolarHBondContact O-N 3.5Å; V69-G73 PolarHBondContact O-N 3.48Å
70	L	92	Very high	90	Very high	119 Å²	119	63 Å²	63	62%	0.623	31%	0.314	S	S	*	.	H	α-helix	trans	-62.9	-46.6	172	-59.9	177.3	0	0	0	110.3	G66 P67 A72 G73 E74	G66-L70 PolarHBondContact O-N 3.09Å; P67-L70 WeakPolarHBondContact O-CB 3.08Å; P67-L70 PolarHBondContact O-N 3.06Å; P67-L70 VanDerWaalsContact O-N 3.16Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 3.2Å; L70-G73 PolarHBondContact O-N 2.81Å; L70-G73 VanDerWaalsContact O-N 3.1Å; L70-E74 PolarHBondContact O-N 2.91Å
71	K	95	Very high	90.3	Very high	45 Å²	45	70 Å²	70	20%	0.196	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-40	177.5	-173.6	59.6	-177.4	173.3	0	112.6	P67 I68 G73 E74 I75 M467 L470	P67-K71 PolarHBondContact O-N 3.27Å; I68-K71 PolarHBondContact O-N 3.44Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-G73 PolarHBondContact O-N 3.04Å; K71-E74 VanDerWaalsContact CD-OE2 3.25Å; K71-E74 WeakPolarHBondContact CD-OE2 3.43Å; K71-E74 IonicContact NZ-OE2 3.62Å; K71-E74 PolarHBondContact NZ-OE2 2.76Å; K71-E74 WeakPolarHBondContact O-CB 3.22Å; K71-E74 PolarHBondContact O-N 3Å; K71-I75 HydrophobicContact CG-CD1 4.08Å; K71-I75 WeakPolarHBondContact O-CG1 3.39Å; K71-I75 PolarHBondContact O-N 3.16Å; K71-M467 HydrophobicContact CB-CE 3.97Å; K71-M467 HydrophobicContact CB-SD 4.2Å; K71-M467 HydrophobicContact CD-CE 4.39Å; K71-M467 HydrophobicContact CG-CE 3.78Å; K71-M467 HydrophobicContact CG-SD 4.41Å; K71-L470 HydrophobicContact CB-CD2 3.97Å; K71-L470 HydrophobicContact CG-CD2 3.92Å
72	A	95.3	Very high	90.9	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-43.8	174.1	0	0	0	0	0	111.5	I68 V69 L70 I75 E76 V90 L470 C476	I68-A72 WeakPolarHBondContact O-CB 3.49Å; I68-A72 PolarHBondContact O-N 3.02Å; V69-A72 PolarHBondContact O-N 3.5Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 3.2Å; A72-I75 PolarHBondContact O-N 2.91Å; A72-E76 WeakPolarHBondContact O-CG 2.8Å; A72-E76 PolarHBondContact O-N 3.33Å; A72-V90 HydrophobicContact CB-CG1 4Å; A72-L470 HydrophobicContact CB-CD1 4.29Å; A72-L470 HydrophobicContact CB-CD2 4.06Å; A72-C476 HydrophobicContact CB-CB 4.33Å
73	G	95.4	Very high	91.6	Very high	15 Å²	15	65.3 Å²	65.3	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-39.6	175.2	0	0	0	0	0	113.5	V69 L70 K71 E76 M77	V69-G73 PolarHBondContact O-N 3.48Å; L70-G73 PolarHBondContact O-N 2.81Å; L70-G73 VanDerWaalsContact O-N 3.1Å; K71-G73 VanDerWaalsContact C-N 3.31Å; K71-G73 PolarHBondContact O-N 3.04Å; G73-E76 PolarHBondContact O-N 3.27Å; G73-M77 WeakPolarHBondContact O-CG 3.26Å; G73-M77 PolarHBondContact O-N 3.19Å; G73-M77 VanDerWaalsContact O-N 3.07Å
74	E	96.7	Very high	92.7	Very high	98 Å²	98	73.5 Å²	73.5	46%	0.458	36%	0.363	S	S	.	.	H	α-helix	trans	-59.5	-48.2	172.7	-68.7	175.2	-175.9	0	0	111.4	L70 K71 E76 M77 E78	L70-E74 PolarHBondContact O-N 2.91Å; K71-E74 VanDerWaalsContact CD-OE2 3.25Å; K71-E74 WeakPolarHBondContact CD-OE2 3.43Å; K71-E74 IonicContact NZ-OE2 3.62Å; K71-E74 PolarHBondContact NZ-OE2 2.76Å; K71-E74 WeakPolarHBondContact O-CB 3.22Å; K71-E74 PolarHBondContact O-N 3Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-E76 PolarHBondContact O-N 2.95Å; E74-M77 WeakPolarHBondContact O-CB 3.47Å; E74-M77 PolarHBondContact O-N 3.48Å; E74-M77 VanDerWaalsContact O-N 3.12Å; E74-E78 WeakPolarHBondContact O-CG 3.23Å; E74-E78 PolarHBondContact O-N 2.84Å
75	I	97.3	Very high	93.7	Very high	2 Å²	2	76.6 Å²	76.6	1%	0.01	38%	0.376	C	S	.	.	H	α-helix	trans	-63.5	-39.3	180	-67.1	167.3	0	0	0	111	K71 A72 M77 E78 L79 F87 V90 L470	K71-I75 HydrophobicContact CG-CD1 4.08Å; K71-I75 WeakPolarHBondContact O-CG1 3.39Å; K71-I75 PolarHBondContact O-N 3.16Å; A72-I75 PolarHBondContact O-N 2.91Å; I75-M77 VanDerWaalsContact C-N 3.32Å; I75-M77 PolarHBondContact O-N 3.1Å; I75-E78 WeakPolarHBondContact O-CB 3.46Å; I75-E78 PolarHBondContact O-N 3.28Å; I75-L79 HydrophobicContact CG2-CD1 4.22Å; I75-L79 HydrophobicContact CG2-CG 4.49Å; I75-L79 WeakPolarHBondContact O-CG 3.36Å; I75-L79 PolarHBondContact O-N 3.12Å; I75-F87 HydrophobicContact CG2-CE2 3.59Å; I75-F87 HydrophobicContact CG2-CZ 3.87Å; I75-V90 HydrophobicContact CB-CG2 4.08Å; I75-V90 HydrophobicContact CG2-CG2 3.64Å; I75-L470 HydrophobicContact CD1-CD1 4.17Å; I75-L470 HydrophobicContact CD1-CD2 4.21Å; I75-L470 HydrophobicContact CD1-CG 3.78Å
76	E	96.9	Very high	94.7	Very high	52 Å²	52	72.8 Å²	72.8	24%	0.243	38%	0.376	C	S	.	.	H	α-helix	trans	-58	-44.3	172.9	-74.5	168.3	175	0	0	111.2	A72 G73 E74 L79 Q80 V90 R92	A72-E76 WeakPolarHBondContact O-CG 2.8Å; A72-E76 PolarHBondContact O-N 3.33Å; G73-E76 PolarHBondContact O-N 3.27Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-E76 PolarHBondContact O-N 2.95Å; E76-L79 PolarHBondContact O-N 2.72Å; E76-Q80 WeakPolarHBondContact O-CG 3.36Å; E76-Q80 PolarHBondContact O-N 2.94Å; E76-V90 HydrophobicContact CG-CB 3.81Å; E76-V90 HydrophobicContact CG-CG2 3.79Å; E76-R92 VanDerWaalsContact CD-NH2 3.34Å; E76-R92 IonicContact OE1-CZ 3.36Å; E76-R92 IonicContact OE1-NE 2.87Å; E76-R92 PolarHBondContact OE1-NE 3.02Å; E76-R92 IonicContact OE1-NH2 3.6Å; E76-R92 PolarHBondContact OE1-NH2 3.23Å; E76-R92 VanDerWaalsContact OE1-NH2 3.1Å; E76-R92 IonicContact OE2-CZ 3.52Å; E76-R92 IonicContact OE2-NE 2.77Å; E76-R92 IonicContact OE2-NH2 3.91Å; E76-R92 PolarHBondContact OE2-NH2 3.38Å
77	M	96.9	Very high	95.3	Very high	106 Å²	106	72.5 Å²	72.5	52%	0.522	37%	0.37	S	S	.	.	H	α-helix	trans	-67.1	-37	175.9	-66.9	-177.3	-163	0	0	112.6	G73 E74 I75 Q80 R81	G73-M77 WeakPolarHBondContact O-CG 3.26Å; G73-M77 PolarHBondContact O-N 3.19Å; G73-M77 VanDerWaalsContact O-N 3.07Å; E74-M77 WeakPolarHBondContact O-CB 3.47Å; E74-M77 PolarHBondContact O-N 3.48Å; E74-M77 VanDerWaalsContact O-N 3.12Å; I75-M77 VanDerWaalsContact C-N 3.32Å; I75-M77 PolarHBondContact O-N 3.1Å; M77-Q80 PolarHBondContact O-N 3.3Å; M77-R81 WeakPolarHBondContact O-CG 3.3Å; M77-R81 PolarHBondContact O-N 2.96Å; M77-R81 VanDerWaalsContact O-N 3.11Å
78	E	97.6	Very high	95.7	Very high	43 Å²	43	74.8 Å²	74.8	20%	0.201	38%	0.383	C	S	.	.	H	α-helix	trans	-62.1	-46.1	175.4	-71.8	175.9	-176.5	0	0	111.4	E74 I75 Q80 R81 G82 I83 K85	E74-E78 WeakPolarHBondContact O-CG 3.23Å; E74-E78 PolarHBondContact O-N 2.84Å; I75-E78 WeakPolarHBondContact O-CB 3.46Å; I75-E78 PolarHBondContact O-N 3.28Å; E78-Q80 PolarHBondContact O-N 2.92Å; E78-R81 CarbonylContact O-C 3.32Å; E78-R81 PolarHBondContact O-N 3.23Å; E78-R81 VanDerWaalsContact O-N 3.13Å; E78-G82 PolarHBondContact O-N 3.08Å; E78-I83 HydrophobicContact CB-CB 4.12Å; E78-I83 HydrophobicContact CB-CD1 3.79Å; E78-I83 HydrophobicContact CB-CG1 4.44Å; E78-I83 HydrophobicContact CG-CD1 3.82Å; E78-I83 WeakPolarHBondContact O-CB 3.46Å; E78-I83 PolarHBondContact O-N 3.22Å; E78-K85 WeakPolarHBondContact OE2-CE 3.35Å; E78-K85 IonicContact OE2-NZ 3.92Å; E78-K85 PolarHBondContact OE2-NZ 3.47Å
79	L	97.4	Very high	95.9	Very high	37 Å²	37	79.1 Å²	79.1	19%	0.194	40%	0.403	C	S	.	.	H	α-helix	trans	-60.9	-42.5	175.9	-72	169.3	0	0	0	111.6	I75 E76 R81 G82 K85 F87 V90	I75-L79 HydrophobicContact CG2-CD1 4.22Å; I75-L79 HydrophobicContact CG2-CG 4.49Å; I75-L79 WeakPolarHBondContact O-CG 3.36Å; I75-L79 PolarHBondContact O-N 3.12Å; E76-L79 PolarHBondContact O-N 2.72Å; L79-R81 PolarHBondContact O-N 3.35Å; L79-G82 PolarHBondContact O-N 2.68Å; L79-K85 HydrophobicContact CD2-CB 4.04Å; L79-K85 HydrophobicContact CD2-CG 3.92Å; L79-F87 HydrophobicContact CD1-CD2 4.37Å; L79-F87 HydrophobicContact CD1-CE2 4.26Å; L79-V90 HydrophobicContact CD1-CG2 4.44Å
80	Q	96.6	Very high	96.1	Very high	165 Å²	165	78.6 Å²	78.6	77%	0.771	40%	0.4	S	S	*	.	H	α-helix	trans	-61.8	-30	175.3	-74	173.1	0.7	0	0	113.1	E76 M77 E78 G82	E76-Q80 WeakPolarHBondContact O-CG 3.36Å; E76-Q80 PolarHBondContact O-N 2.94Å; M77-Q80 PolarHBondContact O-N 3.3Å; E78-Q80 PolarHBondContact O-N 2.92Å; Q80-G82 VanDerWaalsContact C-N 3.25Å; Q80-G82 PolarHBondContact O-N 3.06Å
81	R	97.6	Very high	96.1	Very high	200 Å²	200	73.4 Å²	73.4	76%	0.755	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2	174.5	-68	173.1	-177.1	178.2	2.6	113.3	M77 E78 L79	M77-R81 WeakPolarHBondContact O-CG 3.3Å; M77-R81 PolarHBondContact O-N 2.96Å; M77-R81 VanDerWaalsContact O-N 3.11Å; E78-R81 CarbonylContact O-C 3.32Å; E78-R81 PolarHBondContact O-N 3.23Å; E78-R81 VanDerWaalsContact O-N 3.13Å; L79-R81 PolarHBondContact O-N 3.35Å
82	G	96.4	Very high	95.9	Very high	57 Å²	57	75.6 Å²	75.6	59%	0.588	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	14.3	179	0	0	0	0	0	114.7	E78 L79 Q80 K84	E78-G82 PolarHBondContact O-N 3.08Å; L79-G82 PolarHBondContact O-N 2.68Å; Q80-G82 VanDerWaalsContact C-N 3.25Å; Q80-G82 PolarHBondContact O-N 3.06Å; G82-K84 PolarHBondContact O-N 3.43Å
83	I	97.5	Very high	95.6	Very high	80 Å²	80	75.7 Å²	75.7	41%	0.41	38%	0.38	S	S	.	.			trans	-66.2	121.5	173.5	-65.1	172.9	0	0	0	108.3	E78 K85	E78-I83 HydrophobicContact CB-CB 4.12Å; E78-I83 HydrophobicContact CB-CD1 3.79Å; E78-I83 HydrophobicContact CB-CG1 4.44Å; E78-I83 HydrophobicContact CG-CD1 3.82Å; E78-I83 WeakPolarHBondContact O-CB 3.46Å; E78-I83 PolarHBondContact O-N 3.22Å; I83-K85 PolarHBondContact O-N 3.32Å
84	K	96.5	Very high	95.1	Very high	201 Å²	201	75.3 Å²	75.3	87%	0.874	37%	0.374	S	S	*	.			trans	-69.1	130.3	179.2	-66.7	-174.1	178.9	-178.8	0	110.4	G82	G82-K84 PolarHBondContact O-N 3.43Å
85	K	96.2	Very high	94.4	Very high	76 Å²	76	73.1 Å²	73.1	33%	0.33	37%	0.365	S	S	.	.			trans	-128.3	165.2	173.6	-64.4	-69.6	-176.6	171	0	109.5	E78 L79 I83 F87	E78-K85 WeakPolarHBondContact OE2-CE 3.35Å; E78-K85 IonicContact OE2-NZ 3.92Å; E78-K85 PolarHBondContact OE2-NZ 3.47Å; L79-K85 HydrophobicContact CD2-CB 4.04Å; L79-K85 HydrophobicContact CD2-CG 3.92Å; I83-K85 PolarHBondContact O-N 3.32Å; K85-F87 HydrophobicContact CB-CD1 4.42Å; K85-F87 HydrophobicContact CB-CD2 4.34Å; K85-F87 HydrophobicContact CB-CE1 4.25Å; K85-F87 HydrophobicContact CB-CE2 4.18Å; K85-F87 HydrophobicContact CB-CG 4.48Å; K85-F87 HydrophobicContact CB-CZ 4.14Å; K85-F87 HydrophobicContact CG-CE2 4.46Å; K85-F87 HydrophobicContact CG-CZ 4.39Å; K85-F87 PolarHBondContact O-N 3.23Å
86	P	95.3	Very high	93.8	Very high	108 Å²	108	73.6 Å²	73.6	70%	0.701	37%	0.371	S	S	*	.	S	Bend	trans	-64.8	-1.9	173.5	-19.8	33	0	0	0	114.6
87	F	96.4	Very high	93.4	Very high	9 Å²	9	73.3 Å²	73.3	4%	0.039	37%	0.371	C	S	.	.	S	Bend	trans	-143.8	162	-178.9	50.1	-91.5	0	0	0	109.5	I75 L79 K85 E89 E471 E472 T473 G474	I75-F87 HydrophobicContact CG2-CE2 3.59Å; I75-F87 HydrophobicContact CG2-CZ 3.87Å; L79-F87 HydrophobicContact CD1-CD2 4.37Å; L79-F87 HydrophobicContact CD1-CE2 4.26Å; K85-F87 HydrophobicContact CB-CD1 4.42Å; K85-F87 HydrophobicContact CB-CD2 4.34Å; K85-F87 HydrophobicContact CB-CE1 4.25Å; K85-F87 HydrophobicContact CB-CE2 4.18Å; K85-F87 HydrophobicContact CB-CG 4.48Å; K85-F87 HydrophobicContact CB-CZ 4.14Å; K85-F87 HydrophobicContact CG-CE2 4.46Å; K85-F87 HydrophobicContact CG-CZ 4.39Å; K85-F87 PolarHBondContact O-N 3.23Å; F87-E89 WeakPolarHBondContact CD2-O 3.35Å; F87-E471 WeakPolarHBondContact CE1-O 3.34Å; F87-E472 WeakPolarHBondContact CD1-O 3.4Å; F87-T473 WeakPolarHBondContact CB-O 3.47Å; F87-T473 WeakPolarHBondContact CG-O 3.37Å; F87-G474 VanDerWaalsContact CD1-N 3.26Å; F87-G474 VanDerWaalsContact CE2-CA 3.46Å
88	T	95.7	Very high	93.1	Very high	132 Å²	132	68.5 Å²	68.5	81%	0.81	35%	0.348	S	S	*	.	S	Bend	trans	-107.2	-12.6	-174.4	51.5	0	0	0	0	113.9
89	E	94.9	Very high	92.8	Very high	91 Å²	91	69.2 Å²	69.2	43%	0.425	35%	0.351	S	S	.	.	S	Bend	trans	-145.2	155.4	178.8	61.6	169.3	164	0	0	110.7	F87 I91 K502	F87-E89 WeakPolarHBondContact CD2-O 3.35Å; E89-I91 HydrophobicContact CG-CG1 4.09Å; E89-K502 VanDerWaalsContact OE1-CE 3.27Å; E89-K502 WeakPolarHBondContact OE1-CE 3.31Å; E89-K502 IonicContact OE1-NZ 2.63Å; E89-K502 PolarHBondContact OE1-NZ 3.48Å; E89-K502 IonicContact OE2-NZ 2.67Å; E89-K502 PolarHBondContact OE2-NZ 3.41Å
90	V	94.9	Very high	92.3	Very high	15 Å²	15	70.7 Å²	70.7	9%	0.091	37%	0.369	C	S	.	.			trans	-88.9	123.3	164.6	173.6	0	0	0	0	108.6	A72 I75 E76 L79 R92 L470 G474 C476	A72-V90 HydrophobicContact CB-CG1 4Å; I75-V90 HydrophobicContact CB-CG2 4.08Å; I75-V90 HydrophobicContact CG2-CG2 3.64Å; E76-V90 HydrophobicContact CG-CB 3.81Å; E76-V90 HydrophobicContact CG-CG2 3.79Å; L79-V90 HydrophobicContact CD1-CG2 4.44Å; V90-R92 HydrophobicContact CG1-CG 4.45Å; V90-L470 HydrophobicContact CG1-CD1 4.2Å; V90-G474 CarbonylContact C-O 3.47Å; V90-G474 VanDerWaalsContact CA-O 3.26Å; V90-G474 WeakPolarHBondContact CA-O 3.19Å; V90-C476 HydrophobicContact CG1-CB 4.27Å
91	I	92.2	Very high	91.9	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.051	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	107.5	176.7	-55.3	176.2	0	0	0	108.3	E89 A93 G474 C476 V506	E89-I91 HydrophobicContact CG-CG1 4.09Å; I91-A93 VanDerWaalsContact C-N 3.33Å; I91-A93 PolarHBondContact O-N 3.4Å; I91-G474 PolarHBondContact N-O 2.94Å; I91-C476 PolarHBondContact O-N 3.49Å; I91-V506 HydrophobicContact CB-CG2 4.46Å; I91-V506 HydrophobicContact CD1-CG2 3.77Å; I91-V506 HydrophobicContact CG2-CG2 3.78Å
92	R	90.1	Very high	91.4	Very high	91 Å²	91	56.7 Å²	56.7	34%	0.343	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	76.7	-179.9	-72	-178.3	178.7	-128.8	1.9	111.9	E76 V90 N94 M101	E76-R92 VanDerWaalsContact CD-NH2 3.34Å; E76-R92 IonicContact OE1-CZ 3.36Å; E76-R92 IonicContact OE1-NE 2.87Å; E76-R92 PolarHBondContact OE1-NE 3.02Å; E76-R92 IonicContact OE1-NH2 3.6Å; E76-R92 PolarHBondContact OE1-NH2 3.23Å; E76-R92 VanDerWaalsContact OE1-NH2 3.1Å; E76-R92 IonicContact OE2-CZ 3.52Å; E76-R92 IonicContact OE2-NE 2.77Å; E76-R92 IonicContact OE2-NH2 3.91Å; E76-R92 PolarHBondContact OE2-NH2 3.38Å; V90-R92 HydrophobicContact CG1-CG 4.45Å; R92-N94 WeakPolarHBondContact CA-OD1 3.48Å; R92-N94 WeakPolarHBondContact CB-OD1 3.45Å; R92-N94 PolarHBondContact O-N 3.08Å; R92-M101 HydrophobicContact CB-CE 3.9Å; R92-M101 WeakPolarHBondContact O-CE 3.5Å
93	A	88.2	Confident	91.1	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.008	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	16.6	174.8	0	0	0	0	0	113.4	I91 I475 C476 V477 M494 T495	I91-A93 VanDerWaalsContact C-N 3.33Å; I91-A93 PolarHBondContact O-N 3.4Å; A93-I475 HydrophobicContact CB-CG2 4.45Å; A93-C476 CarbonylContact C-O 3.49Å; A93-C476 VanDerWaalsContact C-O 3.23Å; A93-C476 WeakPolarHBondContact CA-O 3.31Å; A93-C476 PolarHBondContact N-O 3.4Å; A93-V477 HydrophobicContact CB-CG1 4.42Å; A93-M494 HydrophobicContact CB-CG 4.04Å; A93-T495 VanDerWaalsContact C-CG2 3.49Å; A93-T495 HydrophobicContact CB-CG2 4.19Å; A93-T495 VanDerWaalsContact O-CG2 3.3Å; A93-T495 WeakPolarHBondContact O-CG2 3.49Å; A93-T495 PolarHBondContact O-N 3.02Å; A93-T495 VanDerWaalsContact O-N 3.08Å
94	N	85.3	Confident	90.7	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.037	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-13.7	-170.8	66.1	-57.1	0	0	0	114.4	R92 C476 V478 R493	R92-N94 WeakPolarHBondContact CA-OD1 3.48Å; R92-N94 WeakPolarHBondContact CB-OD1 3.45Å; R92-N94 PolarHBondContact O-N 3.08Å; N94-C476 WeakPolarHBondContact CB-O 3.41Å; N94-C476 PolarHBondContact N-O 2.94Å; N94-C476 VanDerWaalsContact N-O 3.15Å; N94-V478 HydrophobicContact CB-CG2 3.59Å; N94-R493 PolarHBondContact O-NH2 2.99Å
95	I	83.1	Confident	90.6	Very high	52 Å²	52	50.3 Å²	50.3	27%	0.267	28%	0.284	S	S	.	.			trans	-120.9	138.8	-175	-165.4	167	0	0	0	112.2	D97 M101	I95-D97 HydrophobicContact CD1-CB 4.4Å; I95-D97 HydrophobicContact CG1-CB 4.21Å; I95-D97 HydrophobicContact CG2-CB 4.21Å; I95-D97 PolarHBondContact O-N 3.19Å; I95-M101 HydrophobicContact CG2-CE 3.92Å
96	G	84	Confident	90.5	Very high	12 Å²	12	46.8 Å²	46.8	12%	0.124	27%	0.268	C	S	.	.			trans	-85.8	54.9	172.5	0	0	0	0	0	113	Y439	G96-Y439 VanDerWaalsContact CA-OH 3.23Å; G96-Y439 WeakPolarHBondContact CA-OH 3.48Å; G96-Y439 PolarHBondContact N-OH 2.8Å
97	D	89.5	Confident	90.6	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	25%	0.248	S	C	.	.			trans	-105	103.2	175	-172.2	-31	0	0	0	109.2	I95 H99 A100 M101	I95-D97 HydrophobicContact CD1-CB 4.4Å; I95-D97 HydrophobicContact CG1-CB 4.21Å; I95-D97 HydrophobicContact CG2-CB 4.21Å; I95-D97 PolarHBondContact O-N 3.19Å; D97-H99 PolarHBondContact OD1-N 3.36Å; D97-A100 HydrophobicContact CB-CB 3.88Å; D97-A100 VanDerWaalsContact CG-CB 3.49Å; D97-A100 PolarHBondContact OD1-N 3.2Å; D97-M101 VanDerWaalsContact O-CG 3.31Å; D97-M101 WeakPolarHBondContact O-CG 3.49Å; D97-M101 PolarHBondContact O-N 3.12Å
98	A	90.1	Very high	90.6	Very high	5 Å²	5	43.6 Å²	43.6	4%	0.041	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-45.9	-169.1	0	0	0	0	0	112.8	M101 G102 Q103 L497	A98-M101 CarbonylContact O-C 3.59Å; A98-M101 PolarHBondContact O-N 3.35Å; A98-G102 PolarHBondContact O-N 2.97Å; A98-Q103 HydrophobicContact CB-CB 3.94Å; A98-Q103 HydrophobicContact CB-CG 4.38Å; A98-Q103 VanDerWaalsContact O-CB 3.28Å; A98-Q103 WeakPolarHBondContact O-CB 3.46Å; A98-Q103 PolarHBondContact O-N 3.46Å; A98-L497 HydrophobicContact CB-CD2 3.93Å
99	H	90.6	Very high	90.6	Very high	58 Å²	58	37.3 Å²	37.3	27%	0.269	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-71.6	-38.6	-178	-66.3	174.4	0	0	0	111.9	D97 M101 G102 Q103 E345	D97-H99 PolarHBondContact OD1-N 3.36Å; H99-M101 PolarHBondContact O-N 2.96Å; H99-M101 VanDerWaalsContact O-N 3.12Å; H99-G102 PolarHBondContact O-N 3.23Å; H99-Q103 PolarHBondContact CD2-O 3.16Å; H99-E345 IonicContact CE1-OE1 2.73Å; H99-E345 IonicContact CE1-OE2 3.55Å; H99-E345 PolarHBondContact CE1-OE2 3.47Å
100	A	87.8	Confident	90.6	Very high	67 Å²	67	37.9 Å²	37.9	55%	0.554	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-61	-21.9	174.6	0	0	0	0	0	112.8	D97	D97-A100 HydrophobicContact CB-CB 3.88Å; D97-A100 VanDerWaalsContact CG-CB 3.49Å; D97-A100 PolarHBondContact OD1-N 3.2Å
101	M	87.1	Confident	90.7	Very high	30 Å²	30	38.9 Å²	38.9	15%	0.148	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-101.8	8.9	178.3	-62.6	-62.8	144.8	0	0	113.8	R92 I95 D97 A98 H99 L497 P499	R92-M101 HydrophobicContact CB-CE 3.9Å; R92-M101 WeakPolarHBondContact O-CE 3.5Å; I95-M101 HydrophobicContact CG2-CE 3.92Å; D97-M101 VanDerWaalsContact O-CG 3.31Å; D97-M101 WeakPolarHBondContact O-CG 3.49Å; D97-M101 PolarHBondContact O-N 3.12Å; A98-M101 CarbonylContact O-C 3.59Å; A98-M101 PolarHBondContact O-N 3.35Å; H99-M101 PolarHBondContact O-N 2.96Å; H99-M101 VanDerWaalsContact O-N 3.12Å; M101-L497 HydrophobicContact CB-CB 3.58Å; M101-L497 HydrophobicContact CB-CD1 4.36Å; M101-L497 HydrophobicContact CB-CG 4.41Å; M101-L497 HydrophobicContact CG-CB 3.74Å; M101-L497 HydrophobicContact CG-CD1 4.07Å; M101-P499 WeakPolarHBondContact O-CD 3.41Å
102	G	86.9	Confident	91	Very high	41 Å²	41	38.4 Å²	38.4	42%	0.423	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	6.8	171.1	0	0	0	0	0	116.1	A98 H99 Q104	A98-G102 PolarHBondContact O-N 2.97Å; H99-G102 PolarHBondContact O-N 3.23Å; G102-Q104 PolarHBondContact O-N 3.44Å; G102-Q104 PolarHBondContact O-NE2 3.07Å
103	Q	89.9	Confident	91.3	Very high	24 Å²	24	34.1 Å²	34.1	11%	0.112	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-61.1	130.7	167.1	-175.3	170.1	-56.3	0	0	109	A98 H99 G341 Y342 V408	A98-Q103 HydrophobicContact CB-CB 3.94Å; A98-Q103 HydrophobicContact CB-CG 4.38Å; A98-Q103 VanDerWaalsContact O-CB 3.28Å; A98-Q103 WeakPolarHBondContact O-CB 3.46Å; A98-Q103 PolarHBondContact O-N 3.46Å; H99-Q103 PolarHBondContact CD2-O 3.16Å; Q103-G341 PolarHBondContact NE2-O 2.75Å; Q103-G341 VanDerWaalsContact NE2-O 3.16Å; Q103-Y342 PolarHBondContact NE2-O 2.9Å; Q103-V408 HydrophobicContact CG-CG1 4.22Å; Q103-V408 HydrophobicContact CG-CG2 4.43Å
104	Q	90.9	Very high	91.8	Very high	135 Å²	135	35.8 Å²	35.8	63%	0.631	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-73.9	139.2	177.3	-62.5	-55.6	-64.7	0	0	110	G102	G102-Q104 PolarHBondContact O-N 3.44Å; G102-Q104 PolarHBondContact O-NE2 3.07Å
105	P	92.6	Very high	92.4	Very high	46 Å²	46	35.5 Å²	35.5	30%	0.299	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-68.2	148.5	175	29.1	-34.2	0	0	0	110.7	T107 R110	P105-T107 PolarHBondContact O-N 2.92Å; P105-R110 HydrophobicContact CB-CG 3.92Å; P105-R110 HydrophobicContact CG-CG 4.32Å
106	I	94.6	Very high	93.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-71.8	125.1	175.9	-60.2	-61.1	0	0	0	110	F108 L109 R110 Y342 M343 F401 E404	I106-F108 PolarHBondContact O-N 3.28Å; I106-L109 HydrophobicContact CB-CB 4.48Å; I106-L109 PolarHBondContact O-N 2.67Å; I106-R110 WeakPolarHBondContact O-CG 3.48Å; I106-R110 PolarHBondContact O-N 3.44Å; I106-Y342 HydrophobicContact CD1-CD2 4.23Å; I106-Y342 HydrophobicContact CG1-CD2 4.36Å; I106-Y342 WeakPolarHBondContact CG1-O 3.35Å; I106-M343 HydrophobicContact CB-SD 4.24Å; I106-M343 HydrophobicContact CG1-SD 3.88Å; I106-M343 HydrophobicContact CG2-SD 4.25Å; I106-F401 HydrophobicContact CG2-CD2 3.65Å; I106-F401 HydrophobicContact CG2-CE2 3.7Å; I106-E404 HydrophobicContact CD1-CB 3.86Å
107	T	97	Very high	93.7	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-45.8	-169.3	-62.9	0	0	0	0	111.9	P105 L109 R110 Q111 Q400 E404	P105-T107 PolarHBondContact O-N 2.92Å; T107-L109 VanDerWaalsContact C-N 3.27Å; T107-L109 PolarHBondContact O-N 2.91Å; T107-R110 PolarHBondContact O-N 2.91Å; T107-R110 VanDerWaalsContact O-N 3.13Å; T107-Q111 HydrophobicContact CG2-CG 4.23Å; T107-Q111 WeakPolarHBondContact O-CG 3.4Å; T107-Q111 PolarHBondContact O-N 3.41Å; T107-Q400 PolarHBondContact OG1-NE2 3.23Å; T107-E404 VanDerWaalsContact CB-OE1 3.24Å; T107-E404 WeakPolarHBondContact CB-OE1 3.33Å; T107-E404 PolarHBondContact N-OE2 3.04Å; T107-E404 PolarHBondContact OG1-OE1 2.86Å
108	F	97.3	Very high	94.1	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-39.1	-177.6	-172.7	-106.3	0	0	0	112.4	I106 Q111 V112 A131 R134 I386 P391 S397 F401	I106-F108 PolarHBondContact O-N 3.28Å; F108-Q111 WeakPolarHBondContact O-CB 3.36Å; F108-Q111 PolarHBondContact O-N 2.97Å; F108-V112 HydrophobicContact CD1-CG2 4.36Å; F108-V112 HydrophobicContact CE1-CG2 3.99Å; F108-V112 HydrophobicContact CE2-CG2 4.41Å; F108-V112 HydrophobicContact CZ-CG2 4.03Å; F108-V112 WeakPolarHBondContact O-CG2 3.38Å; F108-V112 PolarHBondContact O-N 2.97Å; F108-A131 HydrophobicContact CD2-CB 4.21Å; F108-A131 HydrophobicContact CE2-CB 3.72Å; F108-A131 HydrophobicContact CZ-CB 4.41Å; F108-R134 HydrophobicContact CE1-CG 4.13Å; F108-R134 HydrophobicContact CZ-CG 3.78Å; F108-I386 HydrophobicContact CD1-CG2 3.98Å; F108-I386 HydrophobicContact CE1-CG2 4.32Å; F108-P391 HydrophobicContact CB-CG 4.4Å; F108-P391 HydrophobicContact CD1-CG 3.58Å; F108-P391 HydrophobicContact CD2-CG 3.77Å; F108-P391 HydrophobicContact CE1-CG 3.63Å; F108-P391 HydrophobicContact CE2-CG 3.81Å; F108-P391 HydrophobicContact CG-CG 3.64Å; F108-P391 HydrophobicContact CZ-CG 3.74Å; F108-S397 VanDerWaalsContact CD2-CB 3.49Å; F108-S397 WeakPolarHBondContact CD2-OG 3.46Å; F108-F401 HydrophobicContact CB-CD2 4.2Å
109	L	94.6	Very high	94.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.3	-46.4	177.4	-168.7	157.3	0	0	0	111	I106 T107 Q111 V112 M113 M343 E345 I386	I106-L109 HydrophobicContact CB-CB 4.48Å; I106-L109 PolarHBondContact O-N 2.67Å; T107-L109 VanDerWaalsContact C-N 3.27Å; T107-L109 PolarHBondContact O-N 2.91Å; L109-Q111 VanDerWaalsContact C-N 3.27Å; L109-Q111 PolarHBondContact O-N 3.25Å; L109-V112 PolarHBondContact O-N 3.48Å; L109-M113 HydrophobicContact CD2-CG 3.73Å; L109-M113 WeakPolarHBondContact O-CB 3.41Å; L109-M113 VanDerWaalsContact O-CG 3.26Å; L109-M113 WeakPolarHBondContact O-CG 3.5Å; L109-M113 PolarHBondContact O-N 2.69Å; L109-M343 HydrophobicContact CD1-SD 4.49Å; L109-E345 HydrophobicContact CD1-CG 3.5Å; L109-E345 HydrophobicContact CD2-CG 3.74Å; L109-E345 WeakPolarHBondContact CD2-OE1 3.29Å; L109-E345 HydrophobicContact CG-CG 4.27Å; L109-I386 HydrophobicContact CB-CG2 4Å; L109-I386 HydrophobicContact CD1-CG2 4.34Å; L109-I386 HydrophobicContact CG-CB 4.39Å; L109-I386 HydrophobicContact CG-CD1 4Å; L109-I386 HydrophobicContact CG-CG2 4.05Å
110	R	95.8	Very high	94.9	Very high	104 Å²	104	45.6 Å²	45.6	39%	0.392	26%	0.255	S	S	.	.	H	α-helix	trans	-60.8	-38.7	177.2	-55.7	-59.6	-70	-170.1	0	111.8	P105 I106 T107 A114 E345	P105-R110 HydrophobicContact CB-CG 3.92Å; P105-R110 HydrophobicContact CG-CG 4.32Å; I106-R110 WeakPolarHBondContact O-CG 3.48Å; I106-R110 PolarHBondContact O-N 3.44Å; T107-R110 PolarHBondContact O-N 2.91Å; T107-R110 VanDerWaalsContact O-N 3.13Å; R110-A114 VanDerWaalsContact O-CB 3.28Å; R110-A114 WeakPolarHBondContact O-CB 3.45Å; R110-A114 PolarHBondContact O-N 3.45Å; R110-E345 IonicContact NH1-OE2 3.67Å
111	Q	98	Very high	95.4	Very high	35 Å²	35	44.7 Å²	44.7	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-53	177.8	-75.5	171	-20.6	0	0	111.9	T107 F108 L109 M113 A114 L115 F127 A131	T107-Q111 HydrophobicContact CG2-CG 4.23Å; T107-Q111 WeakPolarHBondContact O-CG 3.4Å; T107-Q111 PolarHBondContact O-N 3.41Å; F108-Q111 WeakPolarHBondContact O-CB 3.36Å; F108-Q111 PolarHBondContact O-N 2.97Å; L109-Q111 VanDerWaalsContact C-N 3.27Å; L109-Q111 PolarHBondContact O-N 3.25Å; Q111-M113 PolarHBondContact O-N 3.35Å; Q111-A114 PolarHBondContact O-N 3.01Å; Q111-L115 VanDerWaalsContact O-CG 3.28Å; Q111-L115 WeakPolarHBondContact O-CG 3.48Å; Q111-L115 PolarHBondContact O-N 2.66Å; Q111-F127 HydrophobicContact CB-CD1 3.88Å; Q111-F127 HydrophobicContact CB-CE1 4.16Å; Q111-F127 HydrophobicContact CG-CD1 3.97Å; Q111-F127 HydrophobicContact CG-CE1 4.2Å; Q111-A131 HydrophobicContact CB-CB 4.18Å
112	V	97.8	Very high	95.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-43.4	179.1	178.7	0	0	0	0	110.8	F108 L109 A114 L115 C116 A131 R134 A135 I138 I386	F108-V112 HydrophobicContact CD1-CG2 4.36Å; F108-V112 HydrophobicContact CE1-CG2 3.99Å; F108-V112 HydrophobicContact CE2-CG2 4.41Å; F108-V112 HydrophobicContact CZ-CG2 4.03Å; F108-V112 WeakPolarHBondContact O-CG2 3.38Å; F108-V112 PolarHBondContact O-N 2.97Å; L109-V112 PolarHBondContact O-N 3.48Å; V112-A114 VanDerWaalsContact C-N 3.35Å; V112-A114 PolarHBondContact O-N 3.22Å; V112-L115 PolarHBondContact O-N 3.4Å; V112-C116 PolarHBondContact O-N 2.63Å; V112-C116 PolarHBondContact O-SG 2.96Å; V112-A131 HydrophobicContact CG2-CB 3.89Å; V112-R134 HydrophobicContact CG1-CB 3.98Å; V112-R134 HydrophobicContact CG2-CB 3.92Å; V112-R134 HydrophobicContact CG2-CG 4.35Å; V112-A135 HydrophobicContact CG1-CB 4.38Å; V112-I138 HydrophobicContact CG1-CD1 4.03Å; V112-I386 HydrophobicContact CB-CD1 3.63Å; V112-I386 HydrophobicContact CB-CG1 4.09Å; V112-I386 HydrophobicContact CG1-CD1 3.64Å; V112-I386 HydrophobicContact CG1-CG1 3.9Å; V112-I386 HydrophobicContact CG2-CD1 4.46Å; V112-I386 HydrophobicContact CG2-CG1 4.48Å
113	M	96.7	Very high	96.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62	-40.2	177.7	-71.4	-59.3	-67.8	0	0	112.6	L109 Q111 C116 T117 Y348 S379 A382 A383 I386	L109-M113 HydrophobicContact CD2-CG 3.73Å; L109-M113 WeakPolarHBondContact O-CB 3.41Å; L109-M113 VanDerWaalsContact O-CG 3.26Å; L109-M113 WeakPolarHBondContact O-CG 3.5Å; L109-M113 PolarHBondContact O-N 2.69Å; Q111-M113 PolarHBondContact O-N 3.35Å; M113-C116 PolarHBondContact O-N 2.82Å; M113-T117 VanDerWaalsContact O-CB 3.3Å; M113-T117 WeakPolarHBondContact O-CB 3.38Å; M113-T117 PolarHBondContact O-N 2.88Å; M113-T117 PolarHBondContact O-OG1 2.93Å; M113-Y348 HydrophobicContact CE-CD1 3.58Å; M113-Y348 HydrophobicContact CE-CD2 4.33Å; M113-Y348 HydrophobicContact CE-CE1 3.7Å; M113-Y348 HydrophobicContact CE-CE2 4.4Å; M113-Y348 HydrophobicContact CE-CG 3.92Å; M113-S379 WeakPolarHBondContact CE-O 3.29Å; M113-A382 HydrophobicContact SD-CB 4.06Å; M113-A383 HydrophobicContact SD-CB 4.39Å; M113-I386 HydrophobicContact CG-CD1 4.09Å; M113-I386 HydrophobicContact SD-CD1 4.2Å
114	A	97.9	Very high	96.8	Very high	36 Å²	36	48.5 Å²	48.5	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-64.4	-44.1	175.7	0	0	0	0	0	111.7	R110 Q111 V112 T117 Y118 F127	R110-A114 VanDerWaalsContact O-CB 3.28Å; R110-A114 WeakPolarHBondContact O-CB 3.45Å; R110-A114 PolarHBondContact O-N 3.45Å; Q111-A114 PolarHBondContact O-N 3.01Å; V112-A114 VanDerWaalsContact C-N 3.35Å; V112-A114 PolarHBondContact O-N 3.22Å; A114-T117 PolarHBondContact O-N 2.78Å; A114-Y118 PolarHBondContact O-N 3.08Å; A114-F127 HydrophobicContact CB-CE1 4.09Å; A114-F127 HydrophobicContact CB-CZ 4.2Å
115	L	98.4	Very high	97.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-42.2	176.4	-69.7	165.6	0	0	0	112	Q111 V112 Y118 P119 L121 L122 F127 A131 K132 A135	Q111-L115 VanDerWaalsContact O-CG 3.28Å; Q111-L115 WeakPolarHBondContact O-CG 3.48Å; Q111-L115 PolarHBondContact O-N 2.66Å; V112-L115 PolarHBondContact O-N 3.4Å; L115-Y118 CarbonylContact O-C 3.57Å; L115-Y118 VanDerWaalsContact O-C 3.29Å; L115-P119 VanDerWaalsContact O-CA 3.26Å; L115-P119 WeakPolarHBondContact O-CA 3.38Å; L115-L121 HydrophobicContact CD2-CB 3.76Å; L115-L121 WeakPolarHBondContact CD2-O 3.19Å; L115-L122 HydrophobicContact CD2-CD2 4.2Å; L115-L122 HydrophobicContact CD2-CG 4.49Å; L115-F127 HydrophobicContact CD1-CB 4.13Å; L115-F127 HydrophobicContact CD1-CD1 3.87Å; L115-F127 HydrophobicContact CD1-CG 4.15Å; L115-F127 HydrophobicContact CD2-CB 4.11Å; L115-F127 HydrophobicContact CD2-CD1 3.98Å; L115-F127 HydrophobicContact CD2-CD2 3.97Å; L115-F127 HydrophobicContact CD2-CE1 4.4Å; L115-F127 HydrophobicContact CD2-CE2 4.4Å; L115-F127 HydrophobicContact CD2-CG 3.75Å; L115-F127 HydrophobicContact CG-CB 4.47Å; L115-F127 HydrophobicContact CG-CD1 3.74Å; L115-F127 HydrophobicContact CG-CE1 4.08Å; L115-F127 HydrophobicContact CG-CG 4.03Å; L115-A131 HydrophobicContact CD1-CB 3.99Å; L115-K132 HydrophobicContact CD1-CG 4.08Å; L115-K132 HydrophobicContact CD2-CG 4.4Å; L115-A135 HydrophobicContact CB-CB 3.5Å; L115-A135 HydrophobicContact CD1-CB 4.11Å; L115-A135 HydrophobicContact CG-CB 4.45Å
116	C	97.7	Very high	97.4	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-31.7	177	-63.3	0	0	0	0	112.7	V112 M113 L139 L147	V112-C116 PolarHBondContact O-N 2.63Å; V112-C116 PolarHBondContact O-SG 2.96Å; M113-C116 PolarHBondContact O-N 2.82Å; C116-L139 HydrophobicContact CB-CD2 4.44Å; C116-L147 HydrophobicContact CB-CD1 3.42Å; C116-L147 VanDerWaalsContact CB-CD1 3.42Å; C116-L147 HydrophobicContact CB-CD2 4.35Å; C116-L147 HydrophobicContact CB-CG 3.91Å
117	T	97.4	Very high	97.6	Very high	99 Å²	99	51.8 Å²	51.8	61%	0.607	30%	0.295	S	S	*	.	H	α-helix	trans	-74.9	-38.8	177.7	-57.2	0	0	0	0	111.5	M113 A114	M113-T117 VanDerWaalsContact O-CB 3.3Å; M113-T117 WeakPolarHBondContact O-CB 3.38Å; M113-T117 PolarHBondContact O-N 2.88Å; M113-T117 PolarHBondContact O-OG1 2.93Å; A114-T117 PolarHBondContact O-N 2.78Å
118	Y	97.8	Very high	97.6	Very high	127 Å²	127	50.2 Å²	50.2	50%	0.498	29%	0.286	S	S	.	.	S	Bend	trans	-130.7	82.7	178.5	-173.9	-147	0	0	0	111.5	A114 L115 N120 L121	A114-Y118 PolarHBondContact O-N 3.08Å; L115-Y118 CarbonylContact O-C 3.57Å; L115-Y118 VanDerWaalsContact O-C 3.29Å; Y118-N120 HydrophobicContact CD2-CB 4.14Å; Y118-N120 HydrophobicContact CE1-CB 4.3Å; Y118-N120 HydrophobicContact CE2-CB 3.57Å; Y118-N120 VanDerWaalsContact CE2-ND2 3.28Å; Y118-N120 WeakPolarHBondContact CE2-ND2 3.5Å; Y118-N120 PolarHBondContact O-N 2.65Å; Y118-N120 PolarHBondContact OH-ND2 3.32Å; Y118-L121 HydrophobicContact CD1-CD1 3.81Å; Y118-L121 HydrophobicContact CD1-CD2 4.03Å; Y118-L121 HydrophobicContact CD1-CG 3.55Å; Y118-L121 HydrophobicContact CE1-CD2 4.19Å; Y118-L121 HydrophobicContact CE1-CG 4.15Å; Y118-L121 HydrophobicContact CG-CD1 4.39Å; Y118-L121 HydrophobicContact CG-CG 4.21Å; Y118-L121 WeakPolarHBondContact O-CB 3.49Å; Y118-L121 WeakPolarHBondContact O-CG 3.21Å; Y118-L121 PolarHBondContact O-N 3.09Å
119	P	97.9	Very high	97.7	Very high	51 Å²	51	54.5 Å²	54.5	33%	0.331	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-59.7	-19.5	-172.4	-28.6	37.1	0	0	0	116.1	L115 L121 L122 L139	L115-P119 VanDerWaalsContact O-CA 3.26Å; L115-P119 WeakPolarHBondContact O-CA 3.38Å; P119-L121 PolarHBondContact O-N 3.48Å; P119-L121 VanDerWaalsContact O-N 3.11Å; P119-L122 HydrophobicContact CB-CD1 4.35Å; P119-L122 VanDerWaalsContact O-CB 3.27Å; P119-L122 WeakPolarHBondContact O-CB 3.39Å; P119-L122 VanDerWaalsContact O-CG 3.28Å; P119-L122 WeakPolarHBondContact O-CG 3.28Å; P119-L122 PolarHBondContact O-N 3.33Å; P119-L139 HydrophobicContact CB-CD1 4.03Å; P119-L139 HydrophobicContact CG-CD1 3.9Å; P119-L139 HydrophobicContact CG-CD2 4.26Å
120	N	98	Very high	97.9	Very high	106 Å²	106	55 Å²	55	57%	0.567	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-59	-22.5	173	-68	-4.5	0	0	0	112.3	Y118 L122 S123	Y118-N120 HydrophobicContact CD2-CB 4.14Å; Y118-N120 HydrophobicContact CE1-CB 4.3Å; Y118-N120 HydrophobicContact CE2-CB 3.57Å; Y118-N120 VanDerWaalsContact CE2-ND2 3.28Å; Y118-N120 WeakPolarHBondContact CE2-ND2 3.5Å; Y118-N120 PolarHBondContact O-N 2.65Å; Y118-N120 PolarHBondContact OH-ND2 3.32Å; N120-L122 PolarHBondContact O-N 3.08Å; N120-S123 PolarHBondContact O-OG 3.43Å; N120-S123 VanDerWaalsContact O-OG 3.06Å
121	L	98.4	Very high	98	Very high	47 Å²	47	50 Å²	50	25%	0.246	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-70.9	-9.6	175.6	-63.9	176.9	0	0	0	113.5	L115 Y118 P119 S123 S124 F127	L115-L121 HydrophobicContact CD2-CB 3.76Å; L115-L121 WeakPolarHBondContact CD2-O 3.19Å; Y118-L121 HydrophobicContact CD1-CD1 3.81Å; Y118-L121 HydrophobicContact CD1-CD2 4.03Å; Y118-L121 HydrophobicContact CD1-CG 3.55Å; Y118-L121 HydrophobicContact CE1-CD2 4.19Å; Y118-L121 HydrophobicContact CE1-CG 4.15Å; Y118-L121 HydrophobicContact CG-CD1 4.39Å; Y118-L121 HydrophobicContact CG-CG 4.21Å; Y118-L121 WeakPolarHBondContact O-CB 3.49Å; Y118-L121 WeakPolarHBondContact O-CG 3.21Å; Y118-L121 PolarHBondContact O-N 3.09Å; P119-L121 PolarHBondContact O-N 3.48Å; P119-L121 VanDerWaalsContact O-N 3.11Å; L121-S123 PolarHBondContact O-N 2.76Å; L121-S124 WeakPolarHBondContact O-CB 3.2Å; L121-S124 PolarHBondContact O-N 3.14Å; L121-F127 HydrophobicContact CB-CD2 4.37Å; L121-F127 HydrophobicContact CB-CE2 3.94Å; L121-F127 HydrophobicContact CD1-CE2 3.95Å; L121-F127 HydrophobicContact CD1-CZ 3.92Å; L121-F127 HydrophobicContact CD2-CE2 4.3Å; L121-F127 HydrophobicContact CG-CE2 4.29Å
122	L	98.2	Very high	98	Very high	44 Å²	44	49.4 Å²	49.4	23%	0.23	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-60.3	-28	174.5	-73.5	169.3	0	0	0	112.8	L115 P119 N120 K132 A135 R136 L139	L115-L122 HydrophobicContact CD2-CD2 4.2Å; L115-L122 HydrophobicContact CD2-CG 4.49Å; P119-L122 HydrophobicContact CB-CD1 4.35Å; P119-L122 VanDerWaalsContact O-CB 3.27Å; P119-L122 WeakPolarHBondContact O-CB 3.39Å; P119-L122 VanDerWaalsContact O-CG 3.28Å; P119-L122 WeakPolarHBondContact O-CG 3.28Å; P119-L122 PolarHBondContact O-N 3.33Å; N120-L122 PolarHBondContact O-N 3.08Å; L122-K132 HydrophobicContact CD2-CB 4.03Å; L122-K132 HydrophobicContact CD2-CG 4.17Å; L122-K132 WeakPolarHBondContact O-CD 3.44Å; L122-K132 VanDerWaalsContact O-CE 3.22Å; L122-K132 WeakPolarHBondContact O-CE 3.42Å; L122-A135 HydrophobicContact CD2-CB 4.14Å; L122-R136 HydrophobicContact CD1-CG 3.98Å; L122-R136 HydrophobicContact CD2-CG 3.84Å; L122-L139 HydrophobicContact CD1-CD1 4.25Å
123	S	97.9	Very high	98	Very high	109 Å²	109	55.1 Å²	55.1	76%	0.762	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-86.5	-7	173.9	61.3	0	0	0	0	113.6	N120 L121	N120-S123 PolarHBondContact O-OG 3.43Å; N120-S123 VanDerWaalsContact O-OG 3.06Å; L121-S123 PolarHBondContact O-N 2.76Å
124	S	98.3	Very high	98.1	Very high	23 Å²	23	55.8 Å²	55.8	16%	0.161	31%	0.313	C	S	.	.			trans	-71.3	137	-178.6	179	0	0	0	0	111.2	L121 S126 K132	L121-S124 WeakPolarHBondContact O-CB 3.2Å; L121-S124 PolarHBondContact O-N 3.14Å; S124-S126 PolarHBondContact O-N 3.16Å; S124-S126 WeakPolarHBondContact OG-CB 3.42Å; S124-S126 PolarHBondContact OG-N 3.34Å; S124-S126 VanDerWaalsContact OG-N 3.15Å; S124-S126 PolarHBondContact OG-OG 2.99Å; S124-K132 WeakPolarHBondContact O-CE 3.37Å; S124-K132 PolarHBondContact O-NZ 3.42Å
125	P	97.6	Very high	98.1	Very high	125 Å²	125	54 Å²	54	81%	0.812	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-8.4	171.9	32.2	-35.7	0	0	0	112.9	F127	P125-F127 PolarHBondContact O-N 2.96Å
126	S	98.1	Very high	98.1	Very high	93 Å²	93	58.7 Å²	58.7	65%	0.65	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.9	-178.3	-52.3	0	0	0	0	114.8	S124	S124-S126 PolarHBondContact O-N 3.16Å; S124-S126 WeakPolarHBondContact OG-CB 3.42Å; S124-S126 PolarHBondContact OG-N 3.34Å; S124-S126 VanDerWaalsContact OG-N 3.15Å; S124-S126 PolarHBondContact OG-OG 2.99Å
127	F	98.4	Very high	98.1	Very high	34 Å²	34	62.2 Å²	62.2	15%	0.149	33%	0.33	C	S	.	.	S	Bend	trans	-122.9	137	-176.7	-67.5	-93.2	0	0	0	110.8	Q111 A114 L115 L121 P125 K132	Q111-F127 HydrophobicContact CB-CD1 3.88Å; Q111-F127 HydrophobicContact CB-CE1 4.16Å; Q111-F127 HydrophobicContact CG-CD1 3.97Å; Q111-F127 HydrophobicContact CG-CE1 4.2Å; A114-F127 HydrophobicContact CB-CE1 4.09Å; A114-F127 HydrophobicContact CB-CZ 4.2Å; L115-F127 HydrophobicContact CD1-CB 4.13Å; L115-F127 HydrophobicContact CD1-CD1 3.87Å; L115-F127 HydrophobicContact CD1-CG 4.15Å; L115-F127 HydrophobicContact CD2-CB 4.11Å; L115-F127 HydrophobicContact CD2-CD1 3.98Å; L115-F127 HydrophobicContact CD2-CD2 3.97Å; L115-F127 HydrophobicContact CD2-CE1 4.4Å; L115-F127 HydrophobicContact CD2-CE2 4.4Å; L115-F127 HydrophobicContact CD2-CG 3.75Å; L115-F127 HydrophobicContact CG-CB 4.47Å; L115-F127 HydrophobicContact CG-CD1 3.74Å; L115-F127 HydrophobicContact CG-CE1 4.08Å; L115-F127 HydrophobicContact CG-CG 4.03Å; L121-F127 HydrophobicContact CB-CD2 4.37Å; L121-F127 HydrophobicContact CB-CE2 3.94Å; L121-F127 HydrophobicContact CD1-CE2 3.95Å; L121-F127 HydrophobicContact CD1-CZ 3.92Å; L121-F127 HydrophobicContact CD2-CE2 4.3Å; L121-F127 HydrophobicContact CG-CE2 4.29Å; P125-F127 PolarHBondContact O-N 2.96Å; F127-K132 HydrophobicContact CB-CG 4.37Å; F127-K132 WeakPolarHBondContact O-CE 3.49Å; F127-K132 PolarHBondContact O-NZ 3.27Å
128	P	98.3	Very high	98.1	Very high	12 Å²	12	57.5 Å²	57.5	8%	0.078	30%	0.301	C	S	.	.			trans	-69.3	155.1	179.9	31.5	-35.4	0	0	0	110.9	D130 A131 K132 E396 S397	P128-D130 VanDerWaalsContact C-N 3.34Å; P128-D130 WeakPolarHBondContact CB-OD1 3.35Å; P128-D130 PolarHBondContact O-N 3.38Å; P128-A131 HydrophobicContact CG-CB 3.77Å; P128-A131 PolarHBondContact O-N 3.44Å; P128-K132 PolarHBondContact O-N 2.9Å; P128-K132 VanDerWaalsContact O-N 3.14Å; P128-E396 WeakPolarHBondContact CA-OE2 3.27Å; P128-E396 HydrophobicContact CB-CB 4.4Å; P128-E396 HydrophobicContact CB-CG 3.98Å; P128-E396 WeakPolarHBondContact CB-OE1 3.25Å; P128-E396 WeakPolarHBondContact CB-OE2 3.45Å; P128-S397 VanDerWaalsContact CG-OG 3.29Å; P128-S397 WeakPolarHBondContact CG-OG 3.49Å
129	E	98.3	Very high	98.1	Very high	94 Å²	94	51.9 Å²	51.9	44%	0.439	28%	0.279	S	S	.	.	H	α-helix	trans	-70.7	-32.2	-170.9	-173.9	53.2	-141.6	0	0	112.4	K132 K133 R136 E396	E129-K132 PolarHBondContact O-N 3.25Å; E129-K132 WeakPolarHBondContact OE2-CD 3.14Å; E129-K133 WeakPolarHBondContact O-CB 3.44Å; E129-K133 PolarHBondContact O-N 3.37Å; E129-R136 IonicContact OE1-CZ 2.73Å; E129-R136 IonicContact OE1-NH2 3.12Å; E129-R136 PolarHBondContact OE1-NH2 3.18Å; E129-E396 PolarHBondContact N-OE2 3.19Å
130	D	98.2	Very high	98.1	Very high	9 Å²	9	56 Å²	56	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-38	174.7	57.5	-0.6	0	0	0	112.4	P128 K133 R134 E395 E396 S397	P128-D130 VanDerWaalsContact C-N 3.34Å; P128-D130 WeakPolarHBondContact CB-OD1 3.35Å; P128-D130 PolarHBondContact O-N 3.38Å; D130-K133 WeakPolarHBondContact O-CB 3.44Å; D130-K133 PolarHBondContact O-N 2.64Å; D130-R134 WeakPolarHBondContact O-CG 3.17Å; D130-R134 PolarHBondContact O-N 3Å; D130-R134 PolarHBondContact O-NH1 2.92Å; D130-E395 HydrophobicContact CB-CB 4.22Å; D130-E396 PolarHBondContact OD2-N 3.44Å; D130-S397 VanDerWaalsContact CG-OG 3.3Å; D130-S397 PolarHBondContact OD1-OG 3.09Å; D130-S397 WeakPolarHBondContact OD2-CA 3.35Å; D130-S397 WeakPolarHBondContact OD2-CB 3.26Å; D130-S397 PolarHBondContact OD2-N 2.85Å; D130-S397 PolarHBondContact OD2-OG 2.81Å; D130-S397 VanDerWaalsContact OD2-OG 3.06Å
131	A	98.4	Very high	98	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-43	172	0	0	0	0	0	111.7	F108 Q111 V112 L115 P128 K133 R134 A135	F108-A131 HydrophobicContact CD2-CB 4.21Å; F108-A131 HydrophobicContact CE2-CB 3.72Å; F108-A131 HydrophobicContact CZ-CB 4.41Å; Q111-A131 HydrophobicContact CB-CB 4.18Å; V112-A131 HydrophobicContact CG2-CB 3.89Å; L115-A131 HydrophobicContact CD1-CB 3.99Å; P128-A131 HydrophobicContact CG-CB 3.77Å; P128-A131 PolarHBondContact O-N 3.44Å; A131-K133 VanDerWaalsContact C-N 3.3Å; A131-K133 PolarHBondContact O-N 3.3Å; A131-R134 PolarHBondContact O-N 3.4Å; A131-A135 PolarHBondContact O-N 2.78Å
132	K	98.5	Very high	97.9	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.096	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-39.9	173.5	-68.6	170.9	179.9	168.1	0	111.8	L115 L122 S124 F127 P128 E129 A135 R136	L115-K132 HydrophobicContact CD1-CG 4.08Å; L115-K132 HydrophobicContact CD2-CG 4.4Å; L122-K132 HydrophobicContact CD2-CB 4.03Å; L122-K132 HydrophobicContact CD2-CG 4.17Å; L122-K132 WeakPolarHBondContact O-CD 3.44Å; L122-K132 VanDerWaalsContact O-CE 3.22Å; L122-K132 WeakPolarHBondContact O-CE 3.42Å; S124-K132 WeakPolarHBondContact O-CE 3.37Å; S124-K132 PolarHBondContact O-NZ 3.42Å; F127-K132 HydrophobicContact CB-CG 4.37Å; F127-K132 WeakPolarHBondContact O-CE 3.49Å; F127-K132 PolarHBondContact O-NZ 3.27Å; P128-K132 PolarHBondContact O-N 2.9Å; P128-K132 VanDerWaalsContact O-N 3.14Å; E129-K132 PolarHBondContact O-N 3.25Å; E129-K132 WeakPolarHBondContact OE2-CD 3.14Å; K132-A135 PolarHBondContact O-N 2.95Å; K132-R136 WeakPolarHBondContact O-CB 3.39Å; K132-R136 VanDerWaalsContact O-CG 3.31Å; K132-R136 WeakPolarHBondContact O-CG 3.48Å; K132-R136 PolarHBondContact O-N 3.13Å; K132-R136 PolarHBondContact O-NE 3.4Å
133	K	97.9	Very high	97.7	Very high	120 Å²	120	51.3 Å²	51.3	52%	0.522	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-44.6	176.1	-175.9	-177.4	175.8	-172.4	0	111.2	E129 D130 A131 R137	E129-K133 WeakPolarHBondContact O-CB 3.44Å; E129-K133 PolarHBondContact O-N 3.37Å; D130-K133 WeakPolarHBondContact O-CB 3.44Å; D130-K133 PolarHBondContact O-N 2.64Å; A131-K133 VanDerWaalsContact C-N 3.3Å; A131-K133 PolarHBondContact O-N 3.3Å; K133-R137 PolarHBondContact O-N 2.82Å; K133-R137 VanDerWaalsContact O-N 3.15Å
134	R	97.6	Very high	97.6	Very high	16 Å²	16	49.8 Å²	49.8	6%	0.06	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-51.3	174.1	-60.2	-44.3	-176.1	-90.7	8.6	111.3	F108 V112 D130 A131 R136 R137 I138 E395	F108-R134 HydrophobicContact CE1-CG 4.13Å; F108-R134 HydrophobicContact CZ-CG 3.78Å; V112-R134 HydrophobicContact CG1-CB 3.98Å; V112-R134 HydrophobicContact CG2-CB 3.92Å; V112-R134 HydrophobicContact CG2-CG 4.35Å; D130-R134 WeakPolarHBondContact O-CG 3.17Å; D130-R134 PolarHBondContact O-N 3Å; D130-R134 PolarHBondContact O-NH1 2.92Å; A131-R134 PolarHBondContact O-N 3.4Å; R134-R136 PolarHBondContact O-N 3.04Å; R134-R137 PolarHBondContact O-N 3Å; R134-I138 WeakPolarHBondContact O-CG1 3.41Å; R134-I138 PolarHBondContact O-N 3.28Å; R134-E395 IonicContact CZ-OE1 2.79Å; R134-E395 VanDerWaalsContact CZ-OE1 3.28Å; R134-E395 IonicContact CZ-OE2 3.84Å; R134-E395 IonicContact NH1-OE1 3.75Å; R134-E395 PolarHBondContact NH1-OE1 3.21Å; R134-E395 IonicContact NH1-OE2 2.86Å; R134-E395 IonicContact NH2-OE1 2.62Å; R134-E395 PolarHBondContact NH2-OE1 3.43Å; R134-E395 IonicContact NH2-OE2 3.28Å; R134-E395 PolarHBondContact NH2-OE2 2.94Å
135	A	98.1	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-44	-178.9	0	0	0	0	0	112.8	V112 L115 L122 A131 K132 R137 I138 L139	V112-A135 HydrophobicContact CG1-CB 4.38Å; L115-A135 HydrophobicContact CB-CB 3.5Å; L115-A135 HydrophobicContact CD1-CB 4.11Å; L115-A135 HydrophobicContact CG-CB 4.45Å; L122-A135 HydrophobicContact CD2-CB 4.14Å; A131-A135 PolarHBondContact O-N 2.78Å; K132-A135 PolarHBondContact O-N 2.95Å; A135-R137 PolarHBondContact O-N 3.31Å; A135-I138 PolarHBondContact O-N 2.95Å; A135-L139 WeakPolarHBondContact O-CB 3.4Å; A135-L139 VanDerWaalsContact O-CG 3.22Å; A135-L139 WeakPolarHBondContact O-CG 3.4Å; A135-L139 PolarHBondContact O-N 3.44Å
136	R	98.3	Very high	97.4	Very high	97 Å²	97	49.9 Å²	49.9	37%	0.366	28%	0.284	S	S	.	.	H	α-helix	trans	-58.7	-45.4	176.1	-77.7	-176.1	-75.6	124.1	-9	111.8	L122 E129 K132 R134 L139 Q140	L122-R136 HydrophobicContact CD1-CG 3.98Å; L122-R136 HydrophobicContact CD2-CG 3.84Å; E129-R136 IonicContact OE1-CZ 2.73Å; E129-R136 IonicContact OE1-NH2 3.12Å; E129-R136 PolarHBondContact OE1-NH2 3.18Å; K132-R136 WeakPolarHBondContact O-CB 3.39Å; K132-R136 VanDerWaalsContact O-CG 3.31Å; K132-R136 WeakPolarHBondContact O-CG 3.48Å; K132-R136 PolarHBondContact O-N 3.13Å; K132-R136 PolarHBondContact O-NE 3.4Å; R134-R136 PolarHBondContact O-N 3.04Å; R136-L139 PolarHBondContact O-N 3.22Å; R136-Q140 VanDerWaalsContact O-CB 3.31Å; R136-Q140 WeakPolarHBondContact O-CB 3.46Å; R136-Q140 WeakPolarHBondContact O-CG 3.43Å; R136-Q140 PolarHBondContact O-N 2.95Å
137	R	98	Very high	97.2	Very high	79 Å²	79	46.8 Å²	46.8	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-46.8	179.2	-177.8	177	172.7	-137.2	0.2	111.9	K133 R134 A135 Q140 A141 C158 D162 N389	K133-R137 PolarHBondContact O-N 2.82Å; K133-R137 VanDerWaalsContact O-N 3.15Å; R134-R137 PolarHBondContact O-N 3Å; A135-R137 PolarHBondContact O-N 3.31Å; R137-Q140 PolarHBondContact O-N 3.45Å; R137-A141 PolarHBondContact O-N 3.48Å; R137-A141 VanDerWaalsContact O-N 3.17Å; R137-C158 PolarHBondContact NH2-O 3.35Å; R137-D162 IonicContact CZ-OD1 2.75Å; R137-D162 VanDerWaalsContact CZ-OD1 3.25Å; R137-D162 IonicContact CZ-OD2 2.78Å; R137-D162 IonicContact NH1-OD1 3.87Å; R137-D162 PolarHBondContact NH1-OD1 3.01Å; R137-D162 IonicContact NH1-OD2 3.6Å; R137-D162 PolarHBondContact NH1-OD2 3.27Å; R137-D162 IonicContact NH2-OD1 3.43Å; R137-D162 PolarHBondContact NH2-OD1 2.98Å; R137-D162 IonicContact NH2-OD2 2.8Å; R137-D162 PolarHBondContact NH2-OD2 3.4Å; R137-N389 PolarHBondContact NH1-ND2 2.98Å
138	I	97.6	Very high	97.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-49.4	178.2	-66.5	167.4	0	0	0	110.4	V112 R134 A135 Q140 A141 C142 L147 A382 D385	V112-I138 HydrophobicContact CG1-CD1 4.03Å; R134-I138 WeakPolarHBondContact O-CG1 3.41Å; R134-I138 PolarHBondContact O-N 3.28Å; A135-I138 PolarHBondContact O-N 2.95Å; I138-Q140 PolarHBondContact O-N 3.39Å; I138-A141 PolarHBondContact O-N 2.94Å; I138-C142 PolarHBondContact O-N 2.86Å; I138-C142 PolarHBondContact O-SG 2.96Å; I138-L147 HydrophobicContact CG2-CD2 3.89Å; I138-A382 HydrophobicContact CD1-CB 4.16Å; I138-A382 HydrophobicContact CG2-CB 3.99Å; I138-D385 HydrophobicContact CD1-CB 4.19Å
139	L	98	Very high	96.9	Very high	8 Å²	8	50 Å²	50	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-47.8	-180	-68.4	167.9	0	0	0	110.9	C116 P119 L122 A135 R136 A141 C142 N145 L147	C116-L139 HydrophobicContact CB-CD2 4.44Å; P119-L139 HydrophobicContact CB-CD1 4.03Å; P119-L139 HydrophobicContact CG-CD1 3.9Å; P119-L139 HydrophobicContact CG-CD2 4.26Å; L122-L139 HydrophobicContact CD1-CD1 4.25Å; A135-L139 WeakPolarHBondContact O-CB 3.4Å; A135-L139 VanDerWaalsContact O-CG 3.22Å; A135-L139 WeakPolarHBondContact O-CG 3.4Å; A135-L139 PolarHBondContact O-N 3.44Å; R136-L139 PolarHBondContact O-N 3.22Å; L139-A141 PolarHBondContact O-N 3.27Å; L139-C142 WeakPolarHBondContact O-CB 3.32Å; L139-C142 PolarHBondContact O-N 3.49Å; L139-N145 WeakPolarHBondContact CD2-O 3.41Å; L139-N145 VanDerWaalsContact O-CA 3.27Å; L139-N145 WeakPolarHBondContact O-CA 3.42Å; L139-L147 HydrophobicContact CD2-CG 4.37Å
140	Q	97.8	Very high	96.8	Very high	137 Å²	137	53.6 Å²	53.6	64%	0.64	31%	0.309	S	S	*	.	H	α-helix	trans	-58.7	-30.5	179.1	-75.9	170	-5.3	0	0	113.9	R136 R137 I138 C142 N145	R136-Q140 VanDerWaalsContact O-CB 3.31Å; R136-Q140 WeakPolarHBondContact O-CB 3.46Å; R136-Q140 WeakPolarHBondContact O-CG 3.43Å; R136-Q140 PolarHBondContact O-N 2.95Å; R137-Q140 PolarHBondContact O-N 3.45Å; I138-Q140 PolarHBondContact O-N 3.39Å; Q140-C142 VanDerWaalsContact C-N 3.26Å; Q140-C142 PolarHBondContact O-N 3.43Å; Q140-N145 WeakPolarHBondContact CA-OD1 3.48Å
141	A	96.9	Very high	96.7	Very high	47 Å²	47	54.5 Å²	54.5	39%	0.388	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.6	177	0	0	0	0	0	113.5	R137 I138 L139 V156 C158	R137-A141 PolarHBondContact O-N 3.48Å; R137-A141 VanDerWaalsContact O-N 3.17Å; I138-A141 PolarHBondContact O-N 2.94Å; L139-A141 PolarHBondContact O-N 3.27Å; A141-V156 HydrophobicContact CB-CG1 3.47Å; A141-V156 VanDerWaalsContact CB-CG1 3.47Å; A141-C158 HydrophobicContact CB-CB 4.37Å; A141-C158 WeakPolarHBondContact CB-SG 3.11Å
142	C	96.1	Very high	96.5	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.061	34%	0.342	C	S	.	.	S	Bend	trans	-98.6	145.7	177.7	-59.3	0	0	0	0	111.3	I138 L139 Q140 G144 N145 S146	I138-C142 PolarHBondContact O-N 2.86Å; I138-C142 PolarHBondContact O-SG 2.96Å; L139-C142 WeakPolarHBondContact O-CB 3.32Å; L139-C142 PolarHBondContact O-N 3.49Å; Q140-C142 VanDerWaalsContact C-N 3.26Å; Q140-C142 PolarHBondContact O-N 3.43Å; C142-G144 PolarHBondContact O-N 3.25Å; C142-N145 PolarHBondContact O-N 2.89Å; C142-S146 VanDerWaalsContact CB-O 3.31Å; C142-S146 WeakPolarHBondContact CB-O 3.37Å
143	G	94.4	Very high	96.3	Very high	44 Å²	44	58 Å²	58	45%	0.454	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-56.2	130.2	174.3	0	0	0	0	0	111.7	N145 S146 S149	G143-N145 PolarHBondContact O-N 3.36Å; G143-S146 PolarHBondContact O-N 2.91Å; G143-S149 WeakPolarHBondContact O-CB 3.2Å; G143-S149 PolarHBondContact O-OG 2.89Å
144	G	95.6	Very high	96.2	Very high	76 Å²	76	54 Å²	54	78%	0.784	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	65.7	18.7	-179.3	0	0	0	0	0	114.6	C142 S146	C142-G144 PolarHBondContact O-N 3.25Å; G144-S146 VanDerWaalsContact C-N 3.26Å; G144-S146 PolarHBondContact O-N 3.07Å
145	N	96.6	Very high	96.2	Very high	99 Å²	99	53.2 Å²	53.2	53%	0.529	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	56	37.7	-176.8	-56.6	-41.2	0	0	0	113.7	L139 Q140 C142 G143	L139-N145 WeakPolarHBondContact CD2-O 3.41Å; L139-N145 VanDerWaalsContact O-CA 3.27Å; L139-N145 WeakPolarHBondContact O-CA 3.42Å; Q140-N145 WeakPolarHBondContact CA-OD1 3.48Å; C142-N145 PolarHBondContact O-N 2.89Å; G143-N145 PolarHBondContact O-N 3.36Å
146	S	95.3	Very high	96.2	Very high	52 Å²	52	53.4 Å²	53.4	36%	0.364	33%	0.329	S	S	.	.			trans	-136.3	133.7	-171.3	179	0	0	0	0	112.5	C142 G143 G144 G148 S149	C142-S146 VanDerWaalsContact CB-O 3.31Å; C142-S146 WeakPolarHBondContact CB-O 3.37Å; G143-S146 PolarHBondContact O-N 2.91Å; G144-S146 VanDerWaalsContact C-N 3.26Å; G144-S146 PolarHBondContact O-N 3.07Å; S146-G148 PolarHBondContact O-N 3.15Å; S146-G148 PolarHBondContact OG-N 2.81Å; S146-G148 VanDerWaalsContact OG-N 3.09Å; S146-S149 PolarHBondContact O-N 2.88Å
147	L	94.1	Very high	96.2	Very high	28 Å²	28	52.5 Å²	52.5	15%	0.147	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.8	169.4	-69.9	-170.3	0	0	0	113.5	C116 I138 L139 S149 V378 A382	C116-L147 HydrophobicContact CB-CD1 3.42Å; C116-L147 VanDerWaalsContact CB-CD1 3.42Å; C116-L147 HydrophobicContact CB-CD2 4.35Å; C116-L147 HydrophobicContact CB-CG 3.91Å; I138-L147 HydrophobicContact CG2-CD2 3.89Å; L139-L147 HydrophobicContact CD2-CG 4.37Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 2.79Å; L147-V378 HydrophobicContact CD2-CB 4.26Å; L147-V378 HydrophobicContact CD2-CG1 3.64Å; L147-A382 HydrophobicContact CD2-CB 4.27Å
148	G	94.9	Very high	96.1	Very high	73 Å²	73	49.4 Å²	49.4	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.1	178.6	0	0	0	0	0	114.3	S146	S146-G148 PolarHBondContact O-N 3.15Å; S146-G148 PolarHBondContact OG-N 2.81Å; S146-G148 VanDerWaalsContact OG-N 3.09Å
149	S	95.1	Very high	96.2	Very high	40 Å²	40	49.4 Å²	49.4	28%	0.28	32%	0.322	S	S	.	.	S	Bend	trans	-85.4	151.3	-178.7	-63.7	0	0	0	0	111.7	G143 S146 L147 V378	G143-S149 WeakPolarHBondContact O-CB 3.2Å; G143-S149 PolarHBondContact O-OG 2.89Å; S146-S149 PolarHBondContact O-N 2.88Å; L147-S149 VanDerWaalsContact C-N 3.27Å; L147-S149 PolarHBondContact O-N 2.79Å; S149-V378 WeakPolarHBondContact O-CG2 3.21Å
150	Y	96.3	Very high	96.2	Very high	170 Å²	170	50 Å²	50	67%	0.667	32%	0.323	S	S	*	.			trans	-65.2	145.7	165.3	-65.8	-62.8	0	0	0	110.5	L374	Y150-L374 HydrophobicContact CD1-CB 4.11Å; Y150-L374 HydrophobicContact CD1-CD1 4.25Å; Y150-L374 HydrophobicContact CE1-CB 4.12Å; Y150-L374 HydrophobicContact CE1-CD1 3.57Å; Y150-L374 HydrophobicContact CE1-CG 4.37Å; Y150-L374 HydrophobicContact CE2-CD1 4.24Å
151	S	95.2	Very high	96.3	Very high	28 Å²	28	47.6 Å²	47.6	20%	0.196	31%	0.312	C	S	.	.			trans	-106	179.4	167.5	71.1	0	0	0	0	110.9	V156 C375 Q381	S151-V156 VanDerWaalsContact CB-CG2 3.49Å; S151-C375 PolarHBondContact N-SG 3.03Å; S151-Q381 PolarHBondContact OG-NE2 2.74Å; S151-Q381 PolarHBondContact OG-OE1 3.05Å
152	A	94.7	Very high	96.4	Very high	64 Å²	64	46 Å²	46	53%	0.529	30%	0.297	S	S	.	.			trans	-58.3	151	170	0	0	0	0	0	110.4	Q154 G155	A152-Q154 PolarHBondContact O-N 3.25Å; A152-G155 WeakPolarHBondContact O-CA 3.39Å; A152-G155 PolarHBondContact O-N 3.18Å
153	S	94.4	Very high	96.5	Very high	30 Å²	30	45.6 Å²	45.6	21%	0.21	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.1	-174.7	-61.2	0	0	0	0	114.5	G155 S371 L374	S153-G155 VanDerWaalsContact C-N 3.29Å; S153-S371 WeakPolarHBondContact OG-CA 2.91Å; S153-L374 VanDerWaalsContact CA-O 3.3Å; S153-L374 WeakPolarHBondContact CA-O 3.49Å; S153-L374 VanDerWaalsContact CB-O 3.22Å; S153-L374 WeakPolarHBondContact CB-O 3.34Å; S153-L374 PolarHBondContact OG-O 3.23Å
154	Q	95.8	Very high	96.7	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.168	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.1	171.3	-56.4	-174.6	7.4	0	0	112.8	A152 Y181 L182	A152-Q154 PolarHBondContact O-N 3.25Å; Q154-Y181 HydrophobicContact CB-CD1 4.1Å; Q154-Y181 HydrophobicContact CG-CD1 3.74Å; Q154-Y181 HydrophobicContact CG-CE1 3.76Å; Q154-L182 PolarHBondContact O-N 2.87Å
155	G	97.4	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.251	C	S	.	.			trans	116.4	169.2	-175.2	0	0	0	0	0	113.8	A152 S153 N157 Q381	A152-G155 WeakPolarHBondContact O-CA 3.39Å; A152-G155 PolarHBondContact O-N 3.18Å; S153-G155 VanDerWaalsContact C-N 3.29Å; G155-N157 PolarHBondContact O-N 3.5Å; G155-Q381 VanDerWaalsContact CA-OE1 3.27Å
156	V	97.9	Very high	96.9	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	23%	0.232	C	C	.	.			trans	-59.6	129.3	174.3	175.5	0	0	0	0	109.5	A141 S151 C158 I159 R160 V378	A141-V156 HydrophobicContact CB-CG1 3.47Å; A141-V156 VanDerWaalsContact CB-CG1 3.47Å; S151-V156 VanDerWaalsContact CB-CG2 3.49Å; V156-C158 PolarHBondContact O-N 3.09Å; V156-I159 HydrophobicContact CB-CB 4.32Å; V156-I159 HydrophobicContact CB-CD1 3.84Å; V156-I159 HydrophobicContact CB-CG1 3.95Å; V156-I159 HydrophobicContact CG1-CD1 4.18Å; V156-I159 HydrophobicContact CG1-CG1 3.99Å; V156-I159 HydrophobicContact CG2-CD1 4.31Å; V156-I159 PolarHBondContact O-N 3.14Å; V156-I159 VanDerWaalsContact O-N 3.14Å; V156-R160 PolarHBondContact O-N 3.08Å; V156-R160 VanDerWaalsContact O-N 3.13Å; V156-V378 HydrophobicContact CG2-CG1 4.14Å
157	N	97.6	Very high	97.1	Very high	77 Å²	77	36 Å²	36	41%	0.412	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-49.1	-170.4	-171.2	69.7	0	0	0	113.5	G155 I159 R160 E161	G155-N157 PolarHBondContact O-N 3.5Å; N157-I159 PolarHBondContact O-N 2.92Å; N157-R160 WeakPolarHBondContact O-CB 2.99Å; N157-R160 PolarHBondContact O-N 3.22Å; N157-R160 VanDerWaalsContact O-N 3.1Å; N157-R160 PolarHBondContact OD1-NH2 3.29Å; N157-E161 PolarHBondContact ND2-OE1 3.4Å; N157-E161 WeakPolarHBondContact O-CG 3.4Å; N157-E161 PolarHBondContact O-N 3.36Å
158	C	97.8	Very high	97.3	Very high	15 Å²	15	37 Å²	37	10%	0.101	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-29.6	-178.9	71.7	0	0	0	0	112.8	R137 A141 V156 E161 D162	R137-C158 PolarHBondContact NH2-O 3.35Å; A141-C158 HydrophobicContact CB-CB 4.37Å; A141-C158 WeakPolarHBondContact CB-SG 3.11Å; V156-C158 PolarHBondContact O-N 3.09Å; C158-E161 WeakPolarHBondContact O-CB 3.47Å; C158-E161 PolarHBondContact O-N 3.11Å; C158-D162 VanDerWaalsContact O-CG 3.23Å; C158-D162 PolarHBondContact O-N 3.44Å
159	I	98.5	Very high	97.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-72.5	-39.3	177.3	-57.1	-176.2	0	0	0	109.8	V156 N157 E161 D162 V163 L182 Q381 D385	V156-I159 HydrophobicContact CB-CB 4.32Å; V156-I159 HydrophobicContact CB-CD1 3.84Å; V156-I159 HydrophobicContact CB-CG1 3.95Å; V156-I159 HydrophobicContact CG1-CD1 4.18Å; V156-I159 HydrophobicContact CG1-CG1 3.99Å; V156-I159 HydrophobicContact CG2-CD1 4.31Å; V156-I159 PolarHBondContact O-N 3.14Å; V156-I159 VanDerWaalsContact O-N 3.14Å; N157-I159 PolarHBondContact O-N 2.92Å; I159-E161 VanDerWaalsContact C-N 3.31Å; I159-E161 PolarHBondContact O-N 3.11Å; I159-D162 PolarHBondContact O-N 3.32Å; I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 2.89Å; I159-L182 HydrophobicContact CB-CD1 4.03Å; I159-L182 HydrophobicContact CG2-CD1 3.64Å; I159-L182 HydrophobicContact CG2-CD2 4.34Å; I159-Q381 HydrophobicContact CD1-CB 3.94Å; I159-D385 HydrophobicContact CD1-CB 4.14Å; I159-D385 HydrophobicContact CG1-CB 4.06Å; I159-D385 HydrophobicContact CG2-CB 3.93Å
160	R	98.7	Very high	97.6	Very high	21 Å²	21	41.4 Å²	41.4	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-40.4	171.9	-66.1	-169.8	-63.4	127.5	-2.7	111.8	V156 N157 D162 V163 A164 P177 D178 I180 L182	V156-R160 PolarHBondContact O-N 3.08Å; V156-R160 VanDerWaalsContact O-N 3.13Å; N157-R160 WeakPolarHBondContact O-CB 2.99Å; N157-R160 PolarHBondContact O-N 3.22Å; N157-R160 VanDerWaalsContact O-N 3.1Å; N157-R160 PolarHBondContact OD1-NH2 3.29Å; R160-D162 VanDerWaalsContact C-N 3.34Å; R160-V163 PolarHBondContact O-N 2.91Å; R160-A164 PolarHBondContact O-N 2.85Å; R160-P177 HydrophobicContact CB-CB 4.3Å; R160-P177 VanDerWaalsContact NH1-C 3.27Å; R160-P177 PolarHBondContact NH1-O 3.18Å; R160-D178 IonicContact CZ-OD1 2.93Å; R160-D178 IonicContact NH1-OD1 2.8Å; R160-D178 PolarHBondContact NH1-OD1 3.02Å; R160-D178 IonicContact NH2-OD1 3Å; R160-I180 HydrophobicContact CB-CB 4.19Å; R160-I180 HydrophobicContact CB-CG2 4.3Å; R160-I180 WeakPolarHBondContact CD-O 3.11Å; R160-I180 HydrophobicContact CG-CB 4.29Å; R160-I180 HydrophobicContact CG-CG2 4.18Å; R160-L182 HydrophobicContact CG-CG 4.34Å
161	E	98.7	Very high	97.7	Very high	85 Å²	85	33.5 Å²	33.5	40%	0.397	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-41.6	174.1	-66.8	165.6	177.1	0	0	111.9	N157 C158 I159 A164 A165 P177	N157-E161 PolarHBondContact ND2-OE1 3.4Å; N157-E161 WeakPolarHBondContact O-CG 3.4Å; N157-E161 PolarHBondContact O-N 3.36Å; C158-E161 WeakPolarHBondContact O-CB 3.47Å; C158-E161 PolarHBondContact O-N 3.11Å; I159-E161 VanDerWaalsContact C-N 3.31Å; I159-E161 PolarHBondContact O-N 3.11Å; E161-A164 PolarHBondContact O-N 2.62Å; E161-A165 WeakPolarHBondContact O-CB 3.39Å; E161-A165 PolarHBondContact O-N 2.83Å; E161-P177 HydrophobicContact CB-CG 4.45Å; E161-P177 HydrophobicContact CG-CB 4.21Å; E161-P177 HydrophobicContact CG-CG 3.97Å
162	D	98.6	Very high	97.8	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.08	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-38.3	177	-67.3	-40.6	0	0	0	112.8	R137 C158 I159 R160 A165 F166 V388 N389	R137-D162 IonicContact CZ-OD1 2.75Å; R137-D162 VanDerWaalsContact CZ-OD1 3.25Å; R137-D162 IonicContact CZ-OD2 2.78Å; R137-D162 IonicContact NH1-OD1 3.87Å; R137-D162 PolarHBondContact NH1-OD1 3.01Å; R137-D162 IonicContact NH1-OD2 3.6Å; R137-D162 PolarHBondContact NH1-OD2 3.27Å; R137-D162 IonicContact NH2-OD1 3.43Å; R137-D162 PolarHBondContact NH2-OD1 2.98Å; R137-D162 IonicContact NH2-OD2 2.8Å; R137-D162 PolarHBondContact NH2-OD2 3.4Å; C158-D162 VanDerWaalsContact O-CG 3.23Å; C158-D162 PolarHBondContact O-N 3.44Å; I159-D162 PolarHBondContact O-N 3.32Å; R160-D162 VanDerWaalsContact C-N 3.34Å; D162-A165 PolarHBondContact O-N 3.44Å; D162-F166 VanDerWaalsContact O-CB 3.29Å; D162-F166 WeakPolarHBondContact O-CB 3.43Å; D162-F166 PolarHBondContact O-N 2.96Å; D162-V388 HydrophobicContact CB-CG2 4.02Å; D162-N389 HydrophobicContact CB-CB 4.45Å
163	V	98.8	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.6	-48.6	171.9	172.1	0	0	0	0	110.2	I159 R160 A165 F166 I167 I180 L182 Y352 M384 V388	I159-V163 WeakPolarHBondContact O-CG2 3.39Å; I159-V163 PolarHBondContact O-N 2.89Å; R160-V163 PolarHBondContact O-N 2.91Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 3.45Å; V163-F166 WeakPolarHBondContact O-CB 3.43Å; V163-F166 PolarHBondContact O-N 3.09Å; V163-I167 HydrophobicContact CG1-CD1 3.76Å; V163-I167 HydrophobicContact CG1-CG1 4.43Å; V163-I167 VanDerWaalsContact O-CG1 3.3Å; V163-I167 WeakPolarHBondContact O-CG1 3.4Å; V163-I167 PolarHBondContact O-N 3.45Å; V163-I180 HydrophobicContact CB-CG1 4.5Å; V163-I180 HydrophobicContact CB-CG2 3.94Å; V163-I180 HydrophobicContact CG1-CD1 3.9Å; V163-I180 HydrophobicContact CG1-CG1 4.1Å; V163-I180 HydrophobicContact CG1-CG2 3.66Å; V163-I180 HydrophobicContact CG2-CG2 4.35Å; V163-L182 HydrophobicContact CG2-CD2 4.16Å; V163-Y352 HydrophobicContact CB-CD1 4.5Å; V163-Y352 HydrophobicContact CG1-CD1 3.67Å; V163-Y352 HydrophobicContact CG1-CD2 3.78Å; V163-Y352 HydrophobicContact CG1-CE1 3.65Å; V163-Y352 HydrophobicContact CG1-CE2 3.8Å; V163-Y352 HydrophobicContact CG1-CG 3.75Å; V163-Y352 HydrophobicContact CG2-CD1 3.91Å; V163-Y352 HydrophobicContact CG2-CE1 4.31Å; V163-Y352 HydrophobicContact CG2-CG 4.39Å; V163-M384 HydrophobicContact CG2-CG 4.32Å; V163-V388 HydrophobicContact CG2-CB 4.5Å; V163-V388 HydrophobicContact CG2-CG1 4.11Å; V163-V388 HydrophobicContact CG2-CG2 3.92Å
164	A	98.9	Very high	98.1	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-41.8	177.9	0	0	0	0	0	112	R160 E161 F166 I167 T168 A175 P177 I180	R160-A164 PolarHBondContact O-N 2.85Å; E161-A164 PolarHBondContact O-N 2.62Å; A164-F166 PolarHBondContact O-N 3.15Å; A164-I167 PolarHBondContact O-N 2.87Å; A164-T168 WeakPolarHBondContact O-CB 3.48Å; A164-T168 PolarHBondContact O-N 3.09Å; A164-T168 PolarHBondContact O-OG1 2.83Å; A164-A175 HydrophobicContact CB-CB 4.06Å; A164-A175 WeakPolarHBondContact O-CB 3.28Å; A164-P177 HydrophobicContact CB-CB 4.49Å; A164-P177 HydrophobicContact CB-CG 3.88Å; A164-I180 HydrophobicContact CB-CG1 4.38Å
165	A	98.6	Very high	98.2	Very high	36 Å²	36	35.8 Å²	35.8	30%	0.298	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-39.3	175.7	0	0	0	0	0	111.9	E161 D162 V163 T168 R169	E161-A165 WeakPolarHBondContact O-CB 3.39Å; E161-A165 PolarHBondContact O-N 2.83Å; D162-A165 PolarHBondContact O-N 3.44Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 3.45Å; A165-T168 PolarHBondContact O-N 3.03Å; A165-R169 WeakPolarHBondContact O-CG 3.27Å; A165-R169 PolarHBondContact O-N 2.78Å; A165-R169 PolarHBondContact O-NH1 2.77Å
166	F	98.4	Very high	98.3	Very high	28 Å²	28	39.2 Å²	39.2	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-50.4	174	165.2	-96.9	0	0	0	112.3	D162 V163 A164 T168 R169 R170 V388	D162-F166 VanDerWaalsContact O-CB 3.29Å; D162-F166 WeakPolarHBondContact O-CB 3.43Å; D162-F166 PolarHBondContact O-N 2.96Å; V163-F166 WeakPolarHBondContact O-CB 3.43Å; V163-F166 PolarHBondContact O-N 3.09Å; A164-F166 PolarHBondContact O-N 3.15Å; F166-T168 VanDerWaalsContact C-N 3.25Å; F166-T168 PolarHBondContact O-N 3.35Å; F166-R169 PolarHBondContact O-N 3.2Å; F166-R170 WeakPolarHBondContact O-CB 3.5Å; F166-R170 PolarHBondContact O-N 3.3Å; F166-V388 HydrophobicContact CB-CB 3.62Å; F166-V388 HydrophobicContact CB-CG1 4.28Å; F166-V388 WeakPolarHBondContact CB-O 3.5Å; F166-V388 HydrophobicContact CD1-CB 4.15Å; F166-V388 HydrophobicContact CD1-CG1 3.89Å; F166-V388 HydrophobicContact CD2-CB 4.11Å; F166-V388 HydrophobicContact CD2-CG1 4.49Å; F166-V388 WeakPolarHBondContact CD2-O 3.25Å; F166-V388 HydrophobicContact CE1-CG1 4.39Å; F166-V388 HydrophobicContact CG-CB 3.69Å; F166-V388 HydrophobicContact CG-CG1 3.96Å
167	I	98.8	Very high	98.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-43.8	177.4	-67.2	166.5	0	0	0	109.6	V163 A164 R169 R170 D171 A175 I180 K316 Y352 E354	V163-I167 HydrophobicContact CG1-CD1 3.76Å; V163-I167 HydrophobicContact CG1-CG1 4.43Å; V163-I167 VanDerWaalsContact O-CG1 3.3Å; V163-I167 WeakPolarHBondContact O-CG1 3.4Å; V163-I167 PolarHBondContact O-N 3.45Å; A164-I167 PolarHBondContact O-N 2.87Å; I167-R169 PolarHBondContact O-N 3.21Å; I167-R170 PolarHBondContact O-N 3.24Å; I167-D171 WeakPolarHBondContact O-CB 3.16Å; I167-D171 PolarHBondContact O-N 2.85Å; I167-A175 HydrophobicContact CB-CB 3.92Å; I167-A175 HydrophobicContact CG2-CB 3.76Å; I167-I180 HydrophobicContact CD1-CD1 3.79Å; I167-K316 HydrophobicContact CG2-CD 3.77Å; I167-Y352 HydrophobicContact CD1-CE2 3.86Å; I167-E354 HydrophobicContact CD1-CB 4.25Å
168	T	98.6	Very high	98.2	Very high	49 Å²	49	40.6 Å²	40.6	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-60.7	-46.1	177.3	-57.3	0	0	0	0	112.2	A164 A165 F166 G172 V173 A175	A164-T168 WeakPolarHBondContact O-CB 3.48Å; A164-T168 PolarHBondContact O-N 3.09Å; A164-T168 PolarHBondContact O-OG1 2.83Å; A165-T168 PolarHBondContact O-N 3.03Å; F166-T168 VanDerWaalsContact C-N 3.25Å; F166-T168 PolarHBondContact O-N 3.35Å; T168-G172 WeakPolarHBondContact O-CA 3.41Å; T168-G172 PolarHBondContact O-N 2.72Å; T168-V173 WeakPolarHBondContact CA-O 3.37Å; T168-A175 PolarHBondContact OG1-N 3.46Å
169	R	97.8	Very high	98.2	Very high	144 Å²	144	41.4 Å²	41.4	54%	0.543	23%	0.234	S	C	.	.	H	α-helix	trans	-63.1	-43.2	176.7	-73.4	-172.2	-57.8	-88.7	4.1	112.2	A165 F166 I167 V388	A165-R169 WeakPolarHBondContact O-CG 3.27Å; A165-R169 PolarHBondContact O-N 2.78Å; A165-R169 PolarHBondContact O-NH1 2.77Å; F166-R169 PolarHBondContact O-N 3.2Å; I167-R169 PolarHBondContact O-N 3.21Å; R169-V388 PolarHBondContact NH2-O 2.89Å
170	R	97.6	Very high	98.2	Very high	63 Å²	63	41.4 Å²	41.4	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-44.8	-179.8	-175.2	-166	68.4	-172.3	-6.4	111.6	F166 I167 E299 S314	F166-R170 WeakPolarHBondContact O-CB 3.5Å; F166-R170 PolarHBondContact O-N 3.3Å; I167-R170 PolarHBondContact O-N 3.24Å; R170-E299 IonicContact NH1-OE2 2.91Å; R170-S314 PolarHBondContact NH2-OG 3.43Å
171	D	98.3	Very high	98.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-95.5	-24.6	-168.7	-65.3	-19.2	0	0	0	113.5	I167 V173 S314 K317	I167-D171 WeakPolarHBondContact O-CB 3.16Å; I167-D171 PolarHBondContact O-N 2.85Å; D171-V173 VanDerWaalsContact C-N 3.25Å; D171-V173 HydrophobicContact CB-CB 4.33Å; D171-S314 PolarHBondContact OD1-OG 3.46Å; D171-S314 PolarHBondContact OD2-OG 2.99Å; D171-K317 HydrophobicContact CB-CB 3.92Å; D171-K317 HydrophobicContact CB-CG 4.29Å; D171-K317 PolarHBondContact O-NZ 3.03Å
172	G	98.1	Very high	98.2	Very high	68 Å²	68	36.6 Å²	36.6	70%	0.701	21%	0.212	S	C	*	.	S	Bend	trans	71.5	20.8	-168.1	0	0	0	0	0	112.9	T168	T168-G172 WeakPolarHBondContact O-CA 3.41Å; T168-G172 PolarHBondContact O-N 2.72Å
173	V	96.9	Very high	98.2	Very high	18 Å²	18	36 Å²	36	11%	0.109	21%	0.209	C	C	.	.	S	Bend	trans	-132.3	131.2	-177	176.7	0	0	0	0	108.8	T168 D171 K316 Y320	T168-V173 WeakPolarHBondContact CA-O 3.37Å; D171-V173 VanDerWaalsContact C-N 3.25Å; D171-V173 HydrophobicContact CB-CB 4.33Å; V173-K316 PolarHBondContact O-NZ 2.77Å; V173-Y320 HydrophobicContact CG1-CD1 3.38Å; V173-Y320 HydrophobicContact CG1-CD2 4.02Å; V173-Y320 HydrophobicContact CG1-CE1 3.92Å; V173-Y320 HydrophobicContact CG1-CE2 4.47Å; V173-Y320 HydrophobicContact CG1-CG 3.42Å; V173-Y320 VanDerWaalsContact CG1-CG 3.42Å
174	P	97.9	Very high	98.1	Very high	101 Å²	101	37.5 Å²	37.5	66%	0.656	22%	0.219	S	C	*	.			trans	-53.5	141.8	-179.6	-25.4	34.1	0	0	0	113.1	K316	P174-K316 PolarHBondContact O-NZ 2.98Å
175	A	98.7	Very high	98.1	Very high	18 Å²	18	37.4 Å²	37.4	15%	0.149	22%	0.218	C	C	.	.			trans	-121.9	146.6	168.4	0	0	0	0	0	109.3	A164 I167 T168 E354	A164-A175 HydrophobicContact CB-CB 4.06Å; A164-A175 WeakPolarHBondContact O-CB 3.28Å; I167-A175 HydrophobicContact CB-CB 3.92Å; I167-A175 HydrophobicContact CG2-CB 3.76Å; T168-A175 PolarHBondContact OG1-N 3.46Å; A175-E354 WeakPolarHBondContact CB-OE1 3.43Å
176	D	98.3	Very high	98	Very high	73 Å²	73	36 Å²	36	39%	0.39	21%	0.207	S	C	.	.			trans	-103.1	123.4	-177.9	-178.9	-7.4	0	0	0	109.4	D178 N179	D176-D178 PolarHBondContact O-N 3.12Å; D176-D178 VanDerWaalsContact O-N 3.12Å; D176-D178 PolarHBondContact OD1-N 3.32Å; D176-N179 HydrophobicContact CB-CB 4.46Å; D176-N179 WeakPolarHBondContact O-CB 3.29Å; D176-N179 PolarHBondContact O-N 2.99Å
177	P	98.4	Very high	97.9	Very high	32 Å²	32	36.1 Å²	36.1	21%	0.208	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-52.2	-30.9	174.7	-25.5	34.2	0	0	0	113.9	R160 E161 A164 N179 I180	R160-P177 HydrophobicContact CB-CB 4.3Å; R160-P177 VanDerWaalsContact NH1-C 3.27Å; R160-P177 PolarHBondContact NH1-O 3.18Å; E161-P177 HydrophobicContact CB-CG 4.45Å; E161-P177 HydrophobicContact CG-CB 4.21Å; E161-P177 HydrophobicContact CG-CG 3.97Å; A164-P177 HydrophobicContact CB-CB 4.49Å; A164-P177 HydrophobicContact CB-CG 3.88Å; P177-N179 PolarHBondContact O-N 3.08Å; P177-I180 WeakPolarHBondContact O-CB 3.49Å; P177-I180 PolarHBondContact O-N 3.14Å
178	D	96.8	Very high	97.9	Very high	79 Å²	79	37.1 Å²	37.1	42%	0.422	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-75.8	-6.1	179.8	-75.5	-10.8	0	0	0	114.2	R160 D176 K363	R160-D178 IonicContact CZ-OD1 2.93Å; R160-D178 IonicContact NH1-OD1 2.8Å; R160-D178 PolarHBondContact NH1-OD1 3.02Å; R160-D178 IonicContact NH2-OD1 3Å; D176-D178 PolarHBondContact O-N 3.12Å; D176-D178 VanDerWaalsContact O-N 3.12Å; D176-D178 PolarHBondContact OD1-N 3.32Å; D178-K363 VanDerWaalsContact O-CE 3.25Å; D178-K363 WeakPolarHBondContact O-CE 3.38Å; D178-K363 PolarHBondContact O-NZ 2.96Å
179	N	97.9	Very high	97.8	Very high	32 Å²	32	34.8 Å²	34.8	17%	0.171	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-97.5	-1.5	169	-67.7	-19.4	0	0	0	112.1	D176 P177 Y181 E354 V355 K363	D176-N179 HydrophobicContact CB-CB 4.46Å; D176-N179 WeakPolarHBondContact O-CB 3.29Å; D176-N179 PolarHBondContact O-N 2.99Å; P177-N179 PolarHBondContact O-N 3.08Å; N179-Y181 WeakPolarHBondContact O-CD2 3.47Å; N179-E354 HydrophobicContact CB-CG 4.39Å; N179-E354 CarbonylContact O-C 3.44Å; N179-E354 WeakPolarHBondContact O-CA 3.25Å; N179-V355 VanDerWaalsContact CB-O 3.26Å; N179-V355 WeakPolarHBondContact CB-O 3.49Å; N179-V355 PolarHBondContact O-N 3.42Å; N179-K363 PolarHBondContact OD1-NZ 3.32Å; N179-K363 VanDerWaalsContact OD1-NZ 3.16Å
180	I	98.6	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.1	-179.9	-52.2	-54.2	0	0	0	110.9	R160 V163 A164 I167 P177 L182 E354	R160-I180 HydrophobicContact CB-CB 4.19Å; R160-I180 HydrophobicContact CB-CG2 4.3Å; R160-I180 WeakPolarHBondContact CD-O 3.11Å; R160-I180 HydrophobicContact CG-CB 4.29Å; R160-I180 HydrophobicContact CG-CG2 4.18Å; V163-I180 HydrophobicContact CB-CG1 4.5Å; V163-I180 HydrophobicContact CB-CG2 3.94Å; V163-I180 HydrophobicContact CG1-CD1 3.9Å; V163-I180 HydrophobicContact CG1-CG1 4.1Å; V163-I180 HydrophobicContact CG1-CG2 3.66Å; V163-I180 HydrophobicContact CG2-CG2 4.35Å; A164-I180 HydrophobicContact CB-CG1 4.38Å; I167-I180 HydrophobicContact CD1-CD1 3.79Å; P177-I180 WeakPolarHBondContact O-CB 3.49Å; P177-I180 PolarHBondContact O-N 3.14Å; I180-L182 HydrophobicContact CG2-CD2 4.32Å; I180-E354 HydrophobicContact CD1-CB 3.63Å; I180-E354 HydrophobicContact CD1-CG 3.71Å
181	Y	98.5	Very high	97.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.8	174.5	-56.8	-92.1	0	0	0	108.9	Q154 N179 Y352 M353 V355 K363 L366 L370	Q154-Y181 HydrophobicContact CB-CD1 4.1Å; Q154-Y181 HydrophobicContact CG-CD1 3.74Å; Q154-Y181 HydrophobicContact CG-CE1 3.76Å; N179-Y181 WeakPolarHBondContact O-CD2 3.47Å; Y181-Y352 CarbonylContact O-C 3.6Å; Y181-Y352 WeakPolarHBondContact O-CA 3.34Å; Y181-M353 HydrophobicContact CD2-CE 4.16Å; Y181-M353 HydrophobicContact CD2-CG 4.3Å; Y181-M353 HydrophobicContact CG-CE 3.9Å; Y181-M353 HydrophobicContact CG-CG 4.46Å; Y181-M353 PolarHBondContact N-O 3.35Å; Y181-M353 PolarHBondContact O-N 2.51Å; Y181-V355 HydrophobicContact CD2-CG2 4.05Å; Y181-V355 HydrophobicContact CE2-CB 4.24Å; Y181-V355 HydrophobicContact CE2-CG2 4.11Å; Y181-K363 WeakPolarHBondContact OH-CE 3.32Å; Y181-K363 WeakPolarHBondContact OH-CG 3.28Å; Y181-L366 HydrophobicContact CD1-CD2 4.39Å; Y181-L366 HydrophobicContact CD2-CD2 4.26Å; Y181-L366 HydrophobicContact CE1-CD2 3.88Å; Y181-L366 HydrophobicContact CE1-CG 4.16Å; Y181-L366 HydrophobicContact CE2-CD2 3.76Å; Y181-L370 HydrophobicContact CD1-CD1 3.28Å; Y181-L370 HydrophobicContact CE1-CD1 3.83Å; Y181-L370 HydrophobicContact CG-CD1 4.18Å
182	L	98.6	Very high	97.9	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	143.9	172.2	-56.8	-173.7	0	0	0	109.7	Q154 I159 R160 V163 I180 G351 P376 Q381 M384	Q154-L182 PolarHBondContact O-N 2.87Å; I159-L182 HydrophobicContact CB-CD1 4.03Å; I159-L182 HydrophobicContact CG2-CD1 3.64Å; I159-L182 HydrophobicContact CG2-CD2 4.34Å; R160-L182 HydrophobicContact CG-CG 4.34Å; V163-L182 HydrophobicContact CG2-CD2 4.16Å; I180-L182 HydrophobicContact CG2-CD2 4.32Å; L182-G351 WeakPolarHBondContact CA-O 3.4Å; L182-P376 HydrophobicContact CB-CG 4.43Å; L182-P376 WeakPolarHBondContact O-CG 3.4Å; L182-Q381 HydrophobicContact CB-CG 4.2Å; L182-Q381 HydrophobicContact CD1-CB 3.77Å; L182-Q381 HydrophobicContact CD1-CG 3.69Å; L182-M384 HydrophobicContact CD2-CG 4.44Å
183	T	98.3	Very high	97.9	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	164.5	-172.7	66.3	0	0	0	0	111.7	G185 G351 M353	T183-G185 WeakPolarHBondContact CB-O 3.38Å; T183-G185 PolarHBondContact O-N 3.47Å; T183-G185 PolarHBondContact OG1-O 2.86Å; T183-G351 PolarHBondContact N-O 2.87Å; T183-G351 PolarHBondContact O-N 2.82Å; T183-G351 WeakPolarHBondContact OG1-CA 3.49Å; T183-M353 HydrophobicContact CG2-CG 4.36Å
184	T	97.4	Very high	97.9	Very high	33 Å²	33	22.7 Å²	22.7	20%	0.202	14%	0.139	C	C	.	.	S	Bend	trans	-82.6	67.4	175	-50.3	0	0	0	0	110.5	D188 R349	T184-D188 PolarHBondContact N-OD2 3Å; T184-R349 HydrophobicContact CG2-CB 4.18Å; T184-R349 HydrophobicContact CG2-CG 3.76Å; T184-R349 PolarHBondContact O-NE 3.34Å; T184-R349 VanDerWaalsContact O-NE 3.07Å
185	G	97.1	Very high	97.9	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	79	165.5	-167.5	0	0	0	0	0	112.5	T183 S187 D188 G350	T183-G185 WeakPolarHBondContact CB-O 3.38Å; T183-G185 PolarHBondContact O-N 3.47Å; T183-G185 PolarHBondContact OG1-O 2.86Å; G185-S187 PolarHBondContact O-N 3.38Å; G185-D188 WeakPolarHBondContact O-CB 3.43Å; G185-D188 PolarHBondContact O-N 2.9Å; G185-G350 WeakPolarHBondContact CA-O 3.35Å
186	A	97.8	Very high	97.7	Very high	7 Å²	7	25.4 Å²	25.4	6%	0.058	14%	0.139	C	C	.	.	H	α-helix	trans	-59.9	-32.3	179	0	0	0	0	0	113.3	D188 G189 I190 V300 F335	A186-D188 PolarHBondContact O-N 3.28Å; A186-D188 VanDerWaalsContact O-N 3.17Å; A186-G189 PolarHBondContact O-N 3.38Å; A186-I190 WeakPolarHBondContact O-CG1 3.27Å; A186-I190 PolarHBondContact O-N 3.39Å; A186-V300 HydrophobicContact CB-CG1 3.48Å; A186-V300 VanDerWaalsContact CB-CG1 3.48Å; A186-F335 HydrophobicContact CB-CB 4.2Å
187	S	96.2	Very high	97.6	Very high	30 Å²	30	23.7 Å²	23.7	21%	0.21	13%	0.129	C	C	.	.	H	α-helix	trans	-55	-37.7	179	-50.3	0	0	0	0	112.7	G185 S191	G185-S187 PolarHBondContact O-N 3.38Å; S187-S191 PolarHBondContact O-N 3.15Å; S187-S191 PolarHBondContact O-OG 3.33Å; S187-S191 VanDerWaalsContact O-OG 3.13Å
188	D	97.3	Very high	97.6	Very high	21 Å²	21	23.2 Å²	23.2	11%	0.112	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-39.5	179.5	-177.1	40.7	0	0	0	112.7	T184 G185 A186 T192 R373	T184-D188 PolarHBondContact N-OD2 3Å; G185-D188 WeakPolarHBondContact O-CB 3.43Å; G185-D188 PolarHBondContact O-N 2.9Å; A186-D188 PolarHBondContact O-N 3.28Å; A186-D188 VanDerWaalsContact O-N 3.17Å; D188-T192 VanDerWaalsContact O-CB 3.29Å; D188-T192 WeakPolarHBondContact O-CB 3.22Å; D188-T192 PolarHBondContact O-N 2.93Å; D188-T192 PolarHBondContact O-OG1 3.16Å; D188-R373 IonicContact OD1-CZ 2.71Å; D188-R373 IonicContact OD1-NH1 3.31Å; D188-R373 PolarHBondContact OD1-NH1 3.31Å; D188-R373 IonicContact OD1-NH2 3.78Å; D188-R373 PolarHBondContact OD1-NH2 3.49Å; D188-R373 IonicContact OD2-NH2 3.67Å
189	G	97.9	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-65.6	-46.8	174.2	0	0	0	0	0	112	A186 S191 T192 I193 F335	A186-G189 PolarHBondContact O-N 3.38Å; G189-S191 PolarHBondContact O-N 3.36Å; G189-T192 WeakPolarHBondContact O-CB 3.38Å; G189-T192 PolarHBondContact O-N 2.95Å; G189-T192 VanDerWaalsContact O-N 3.13Å; G189-I193 PolarHBondContact O-N 3.32Å; G189-F335 VanDerWaalsContact C-CE1 3.43Å
190	I	98.5	Very high	97.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-58.3	-51	178.5	-67.8	159.6	0	0	0	110.5	A186 T192 I193 L194 L217 Y218 F335	A186-I190 WeakPolarHBondContact O-CG1 3.27Å; A186-I190 PolarHBondContact O-N 3.39Å; I190-T192 VanDerWaalsContact C-N 3.26Å; I190-T192 PolarHBondContact O-N 2.97Å; I190-I193 PolarHBondContact O-N 2.94Å; I190-L194 HydrophobicContact CG2-CD1 3.93Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 WeakPolarHBondContact O-CG 3.32Å; I190-L194 PolarHBondContact O-N 2.77Å; I190-L217 HydrophobicContact CD1-CD2 3.94Å; I190-L217 HydrophobicContact CG2-CD2 4.47Å; I190-Y218 HydrophobicContact CD1-CE1 4.43Å; I190-Y218 VanDerWaalsContact CD1-OH 3.27Å; I190-Y218 WeakPolarHBondContact CD1-OH 3.37Å; I190-Y218 HydrophobicContact CG2-CD1 4.1Å; I190-Y218 HydrophobicContact CG2-CE1 3.64Å; I190-F335 HydrophobicContact CG1-CD1 3.96Å; I190-F335 HydrophobicContact CG1-CD2 3.96Å; I190-F335 HydrophobicContact CG1-CE1 4Å; I190-F335 HydrophobicContact CG1-CE2 3.99Å; I190-F335 HydrophobicContact CG1-CG 3.96Å; I190-F335 HydrophobicContact CG1-CZ 4.02Å
191	S	97.9	Very high	97.5	Very high	36 Å²	36	25.4 Å²	25.4	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-60.3	-36.6	177.1	-63.2	0	0	0	0	112.5	S187 G189 K195 V221	S187-S191 PolarHBondContact O-N 3.15Å; S187-S191 PolarHBondContact O-OG 3.33Å; S187-S191 VanDerWaalsContact O-OG 3.13Å; G189-S191 PolarHBondContact O-N 3.36Å; S191-K195 WeakPolarHBondContact O-CB 3.28Å; S191-K195 PolarHBondContact O-N 3.1Å; S191-V221 WeakPolarHBondContact OG-CG2 3.47Å
192	T	97.9	Very high	97.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-66.5	-48.2	178.5	-66.6	0	0	0	0	112.1	D188 G189 I190 K195 L196 M353 L366 L369 L370	D188-T192 VanDerWaalsContact O-CB 3.29Å; D188-T192 WeakPolarHBondContact O-CB 3.22Å; D188-T192 PolarHBondContact O-N 2.93Å; D188-T192 PolarHBondContact O-OG1 3.16Å; G189-T192 WeakPolarHBondContact O-CB 3.38Å; G189-T192 PolarHBondContact O-N 2.95Å; G189-T192 VanDerWaalsContact O-N 3.13Å; I190-T192 VanDerWaalsContact C-N 3.26Å; I190-T192 PolarHBondContact O-N 2.97Å; T192-K195 PolarHBondContact O-N 3.39Å; T192-L196 PolarHBondContact O-N 2.87Å; T192-L196 VanDerWaalsContact O-N 3.11Å; T192-M353 HydrophobicContact CG2-CE 4.17Å; T192-L366 HydrophobicContact CG2-CD1 3.57Å; T192-L369 HydrophobicContact CG2-CD2 3.47Å; T192-L369 VanDerWaalsContact CG2-CD2 3.47Å; T192-L370 HydrophobicContact CG2-CD2 4.26Å
193	I	98.2	Very high	97.3	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-44.7	-180	-65.8	-60.8	0	0	0	111	G189 I190 K195 L196 L197 F294 L296 A333 F335 M353 V355 L366	G189-I193 PolarHBondContact O-N 3.32Å; I190-I193 PolarHBondContact O-N 2.94Å; I193-K195 VanDerWaalsContact C-N 3.32Å; I193-K195 PolarHBondContact O-N 2.98Å; I193-L196 WeakPolarHBondContact O-CB 3.45Å; I193-L196 PolarHBondContact O-N 3.47Å; I193-L196 VanDerWaalsContact O-N 3.11Å; I193-L197 HydrophobicContact CG2-CD1 3.6Å; I193-L197 HydrophobicContact CG2-CG 4.38Å; I193-L197 WeakPolarHBondContact O-CG 3.42Å; I193-L197 PolarHBondContact O-N 3.5Å; I193-L197 VanDerWaalsContact O-N 3.08Å; I193-F294 HydrophobicContact CG2-CE1 3.93Å; I193-F294 HydrophobicContact CG2-CZ 4.22Å; I193-L296 HydrophobicContact CG2-CD1 3.82Å; I193-L296 HydrophobicContact CG2-CD2 4.42Å; I193-L296 HydrophobicContact CG2-CG 4.26Å; I193-A333 HydrophobicContact CD1-CB 4.5Å; I193-A333 HydrophobicContact CG1-CB 4.16Å; I193-A333 HydrophobicContact CG2-CB 4.37Å; I193-F335 HydrophobicContact CB-CZ 4.32Å; I193-F335 HydrophobicContact CG1-CE1 4.14Å; I193-F335 HydrophobicContact CG1-CZ 4.06Å; I193-M353 HydrophobicContact CD1-CE 4.12Å; I193-M353 HydrophobicContact CD1-SD 3.86Å; I193-M353 HydrophobicContact CG1-CE 4.41Å; I193-M353 HydrophobicContact CG1-SD 3.6Å; I193-V355 HydrophobicContact CD1-CG2 4.02Å; I193-L366 HydrophobicContact CD1-CD2 4.49Å
194	L	98.2	Very high	97.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-42.1	176.7	-70.6	177.3	0	0	0	111.6	I190 L196 L197 V198 V208 V221 L225 V262 L296	I190-L194 HydrophobicContact CG2-CD1 3.93Å; I190-L194 WeakPolarHBondContact O-CB 3.39Å; I190-L194 WeakPolarHBondContact O-CG 3.32Å; I190-L194 PolarHBondContact O-N 2.77Å; L194-L196 PolarHBondContact O-N 2.78Å; L194-L197 PolarHBondContact O-N 2.9Å; L194-L197 VanDerWaalsContact O-N 3.14Å; L194-V198 WeakPolarHBondContact O-CB 3.28Å; L194-V198 WeakPolarHBondContact O-CG2 3.45Å; L194-V198 PolarHBondContact O-N 2.96Å; L194-V208 HydrophobicContact CD2-CG1 3.9Å; L194-V208 HydrophobicContact CD2-CG2 4.14Å; L194-V221 HydrophobicContact CB-CG1 4.08Å; L194-V221 HydrophobicContact CD1-CB 4.23Å; L194-V221 HydrophobicContact CD1-CG1 3.64Å; L194-L225 HydrophobicContact CB-CD1 3.72Å; L194-V262 HydrophobicContact CD2-CG1 4.05Å; L194-L296 HydrophobicContact CD2-CD2 3.68Å; L194-L296 HydrophobicContact CG-CD2 3.88Å
195	K	97	Very high	97.3	Very high	131 Å²	131	39.7 Å²	39.7	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-62.3	-31	176.3	-177.7	170.4	178	173.8	0	113.1	S191 T192 I193 L225 L369	S191-K195 WeakPolarHBondContact O-CB 3.28Å; S191-K195 PolarHBondContact O-N 3.1Å; T192-K195 PolarHBondContact O-N 3.39Å; I193-K195 VanDerWaalsContact C-N 3.32Å; I193-K195 PolarHBondContact O-N 2.98Å; K195-L225 HydrophobicContact CB-CD1 4.25Å; K195-L225 HydrophobicContact CB-CD2 3.97Å; K195-L225 HydrophobicContact CD-CD2 4.5Å; K195-L225 HydrophobicContact CG-CD2 4.03Å; K195-L369 HydrophobicContact CD-CD1 4.19Å; K195-L369 HydrophobicContact CG-CD1 4.31Å
196	L	95.6	Very high	97.4	Very high	45 Å²	45	39.8 Å²	39.8	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-72.4	-35.7	175.7	-176.3	64.3	0	0	0	112.1	T192 I193 L194 I362 Q365 L366	T192-L196 PolarHBondContact O-N 2.87Å; T192-L196 VanDerWaalsContact O-N 3.11Å; I193-L196 WeakPolarHBondContact O-CB 3.45Å; I193-L196 PolarHBondContact O-N 3.47Å; I193-L196 VanDerWaalsContact O-N 3.11Å; L194-L196 PolarHBondContact O-N 2.78Å; L196-I362 HydrophobicContact CD1-CG2 4.4Å; L196-I362 HydrophobicContact CD2-CG2 3.8Å; L196-I362 HydrophobicContact CG-CG2 4.2Å; L196-Q365 HydrophobicContact CD1-CB 3.96Å; L196-L366 HydrophobicContact CD2-CB 4.09Å; L196-L366 HydrophobicContact CD2-CD1 4.49Å
197	L	96.2	Very high	97.5	Very high	36 Å²	36	39.4 Å²	39.4	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-86.9	-32.1	-173.4	-67.7	168	0	0	0	113.7	I193 L194 S199 T206 V262 F294 L296	I193-L197 HydrophobicContact CG2-CD1 3.6Å; I193-L197 HydrophobicContact CG2-CG 4.38Å; I193-L197 WeakPolarHBondContact O-CG 3.42Å; I193-L197 PolarHBondContact O-N 3.5Å; I193-L197 VanDerWaalsContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 2.9Å; L194-L197 VanDerWaalsContact O-N 3.14Å; L197-S199 PolarHBondContact O-N 3.28Å; L197-T206 PolarHBondContact O-OG1 2.92Å; L197-V262 HydrophobicContact CB-CG2 4.13Å; L197-V262 HydrophobicContact CD1-CG1 4.3Å; L197-V262 HydrophobicContact CD1-CG2 3.78Å; L197-V262 HydrophobicContact CG-CG2 4.5Å; L197-F294 HydrophobicContact CD1-CB 4.2Å; L197-F294 HydrophobicContact CD1-CD1 3.87Å; L197-F294 HydrophobicContact CD1-CD2 4.1Å; L197-F294 HydrophobicContact CD1-CE1 4.29Å; L197-F294 HydrophobicContact CD1-CE2 4.48Å; L197-F294 HydrophobicContact CD1-CG 3.78Å; L197-F294 HydrophobicContact CD2-CB 4.45Å; L197-F294 HydrophobicContact CD2-CD2 3.7Å; L197-F294 HydrophobicContact CD2-CE2 4.17Å; L197-F294 HydrophobicContact CD2-CG 4.12Å; L197-L296 HydrophobicContact CD1-CD1 4.3Å
198	V	97.8	Very high	97.6	Very high	23 Å²	23	38 Å²	38	14%	0.139	24%	0.236	C	C	.	.			trans	-71.5	117.4	-173.7	172.9	0	0	0	0	111.3	L194 T206 L225 A227	L194-V198 WeakPolarHBondContact O-CB 3.28Å; L194-V198 WeakPolarHBondContact O-CG2 3.45Å; L194-V198 PolarHBondContact O-N 2.96Å; V198-T206 HydrophobicContact CG2-CG2 4.19Å; V198-L225 HydrophobicContact CB-CB 4.43Å; V198-L225 HydrophobicContact CG1-CB 4.21Å; V198-L225 HydrophobicContact CG2-CB 4.33Å; V198-L225 HydrophobicContact CG2-CD1 4.13Å; V198-A227 HydrophobicContact CB-CB 4.4Å; V198-A227 HydrophobicContact CG1-CB 3.81Å; V198-A227 HydrophobicContact CG2-CB 3.59Å
199	S	97.3	Very high	97.7	Very high	71 Å²	71	37 Å²	37	50%	0.497	23%	0.231	S	C	.	.			trans	-153.4	-175.2	-178	64.8	0	0	0	0	111.7	L197 R205 T206	L197-S199 PolarHBondContact O-N 3.28Å; S199-R205 WeakPolarHBondContact O-CD 3.25Å; S199-T206 PolarHBondContact N-OG1 2.92Å; S199-T206 PolarHBondContact O-N 3.09Å; S199-T206 PolarHBondContact O-OG1 3.16Å
200	G	97.3	Very high	97.7	Very high	41 Å²	41	37 Å²	37	42%	0.423	23%	0.231	S	C	.	.			trans	74.1	-174.5	-179.3	0	0	0	0	0	114.1	R205	G200-R205 WeakPolarHBondContact O-CD 3.49Å; G200-R205 PolarHBondContact O-NH1 2.95Å
201	G	96.7	Very high	97.7	Very high	44 Å²	44	37.1 Å²	37.1	45%	0.454	23%	0.231	S	C	.	.			trans	-157.1	159.2	179.9	0	0	0	0	0	111.9	K203 S204	G201-K203 PolarHBondContact O-N 3.37Å; G201-S204 PolarHBondContact N-OG 3.26Å; G201-S204 PolarHBondContact O-N 3.33Å; G201-S204 PolarHBondContact O-OG 3.46Å
202	G	95.9	Very high	97.8	Very high	67 Å²	67	35.6 Å²	35.6	69%	0.691	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	53.4	-128.9	-174.7	0	0	0	0	0	111.5	S204 R205	G202-S204 VanDerWaalsContact C-N 3.26Å; G202-S204 PolarHBondContact O-N 3.01Å; G202-R205 VanDerWaalsContact O-CB 3.22Å; G202-R205 WeakPolarHBondContact O-CB 3.2Å; G202-R205 PolarHBondContact O-N 3.33Å; G202-R205 VanDerWaalsContact O-N 3.17Å
203	K	96.8	Very high	97.8	Very high	157 Å²	157	35.6 Å²	35.6	68%	0.683	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-67.3	-20.2	179.3	-66.1	-168.5	174.1	-160.7	0	114.8	G201 R205 D256 C258 D259	G201-K203 PolarHBondContact O-N 3.37Å; K203-R205 VanDerWaalsContact C-N 3.31Å; K203-D256 WeakPolarHBondContact CE-O 3.26Å; K203-D256 PolarHBondContact NZ-O 3.43Å; K203-C258 CarbonylContact O-C 3.04Å; K203-C258 WeakPolarHBondContact O-CA 3.42Å; K203-D259 PolarHBondContact O-N 2.94Å
204	S	97.9	Very high	97.7	Very high	68 Å²	68	36.2 Å²	36.2	48%	0.476	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-92.8	6.8	177	86.5	0	0	0	0	112.3	G201 G202	G201-S204 PolarHBondContact N-OG 3.26Å; G201-S204 PolarHBondContact O-N 3.33Å; G201-S204 PolarHBondContact O-OG 3.46Å; G202-S204 VanDerWaalsContact C-N 3.26Å; G202-S204 PolarHBondContact O-N 3.01Å
205	R	98.5	Very high	97.6	Very high	48 Å²	48	37.9 Å²	37.9	18%	0.181	23%	0.23	C	C	.	.	S	Bend	trans	-65.1	136.8	177.6	-169.3	65.9	176.9	165.4	1.8	109.1	S199 G200 G202 K203 G207 L225 D226 V228 C258 D259	S199-R205 WeakPolarHBondContact O-CD 3.25Å; G200-R205 WeakPolarHBondContact O-CD 3.49Å; G200-R205 PolarHBondContact O-NH1 2.95Å; G202-R205 VanDerWaalsContact O-CB 3.22Å; G202-R205 WeakPolarHBondContact O-CB 3.2Å; G202-R205 PolarHBondContact O-N 3.33Å; G202-R205 VanDerWaalsContact O-N 3.17Å; K203-R205 VanDerWaalsContact C-N 3.31Å; R205-G207 PolarHBondContact O-N 2.86Å; R205-L225 PolarHBondContact NH2-O 2.96Å; R205-D226 PolarHBondContact NE-O 2.81Å; R205-D226 PolarHBondContact NH2-O 2.94Å; R205-D226 VanDerWaalsContact NH2-O 3.12Å; R205-V228 HydrophobicContact CB-CG2 4.19Å; R205-V228 HydrophobicContact CG-CG2 4.11Å; R205-C258 WeakPolarHBondContact O-CB 3.34Å; R205-D259 PolarHBondContact O-N 2.88Å
206	T	98.8	Very high	97.5	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	121.3	178.3	-59.3	0	0	0	0	111.8	L197 V198 S199 V208 V228 K261 V262	L197-T206 PolarHBondContact O-OG1 2.92Å; V198-T206 HydrophobicContact CG2-CG2 4.19Å; S199-T206 PolarHBondContact N-OG1 2.92Å; S199-T206 PolarHBondContact O-N 3.09Å; S199-T206 PolarHBondContact O-OG1 3.16Å; T206-V208 HydrophobicContact CG2-CG2 4.21Å; T206-V228 PolarHBondContact O-N 3.19Å; T206-K261 HydrophobicContact CG2-CB 4.15Å; T206-V262 HydrophobicContact CG2-CG2 4.27Å
207	G	98.8	Very high	97.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.3	167.1	0	0	0	0	0	111	R205 V228 D259 K261 V262	R205-G207 PolarHBondContact O-N 2.86Å; G207-V228 CarbonylContact C-O 3.55Å; G207-V228 VanDerWaalsContact CA-O 3.3Å; G207-V228 WeakPolarHBondContact CA-O 3.42Å; G207-D259 PolarHBondContact N-O 3.07Å; G207-K261 PolarHBondContact O-N 2.67Å; G207-V262 PolarHBondContact O-N 3.36Å
208	V	98.9	Very high	97.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.6	178.2	-177.8	0	0	0	0	108.8	L194 T206 I210 I222 A227 V228 V230 V262	L194-V208 HydrophobicContact CD2-CG1 3.9Å; L194-V208 HydrophobicContact CD2-CG2 4.14Å; T206-V208 HydrophobicContact CG2-CG2 4.21Å; V208-I210 HydrophobicContact CG1-CG2 4.1Å; V208-I222 HydrophobicContact CB-CD1 3.75Å; V208-I222 HydrophobicContact CB-CG1 3.95Å; V208-I222 HydrophobicContact CG1-CD1 3.7Å; V208-I222 HydrophobicContact CG1-CG1 4.08Å; V208-I222 HydrophobicContact CG2-CG1 4.26Å; V208-A227 HydrophobicContact CG2-CB 4.21Å; V208-V228 PolarHBondContact N-O 3.13Å; V208-V230 PolarHBondContact O-N 3.32Å; V208-V262 HydrophobicContact CB-CB 4.4Å; V208-V262 HydrophobicContact CG1-CB 4.09Å; V208-V262 HydrophobicContact CG1-CG1 4.14Å; V208-V262 HydrophobicContact CG2-CB 4.19Å; V208-V262 HydrophobicContact CG2-CG2 4.3Å
209	M	98.9	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.5	178.9	-56.8	179.9	71.9	0	0	111.1	V230 Y232 L247 A250 V251 V262 L263 C264 L293	M209-V230 CarbonylContact C-O 3.53Å; M209-V230 WeakPolarHBondContact CA-O 3.42Å; M209-V230 HydrophobicContact CG-CB 4.02Å; M209-V230 HydrophobicContact CG-CG1 3.94Å; M209-Y232 HydrophobicContact CB-CD1 4.12Å; M209-Y232 HydrophobicContact CB-CE1 4.42Å; M209-Y232 HydrophobicContact CE-CD1 4.41Å; M209-L247 HydrophobicContact CE-CB 4.35Å; M209-L247 HydrophobicContact CE-CD2 3.97Å; M209-A250 HydrophobicContact CE-CB 3.99Å; M209-V251 HydrophobicContact CE-CG2 3.53Å; M209-V251 HydrophobicContact SD-CG2 3.29Å; M209-V251 WeakPolarHBondContact SD-CG2 3.37Å; M209-V262 WeakPolarHBondContact CB-O 3.45Å; M209-V262 PolarHBondContact N-O 3.06Å; M209-L263 HydrophobicContact CB-CB 4.49Å; M209-L263 HydrophobicContact CB-CD1 3.69Å; M209-L263 HydrophobicContact CE-CD1 4.32Å; M209-L263 HydrophobicContact SD-CD1 4.13Å; M209-C264 WeakPolarHBondContact O-CB 3.47Å; M209-C264 PolarHBondContact O-N 3.23Å; M209-L293 HydrophobicContact SD-CD1 3.88Å
210	I	98.9	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148	-179.5	67.4	167.9	0	0	0	111.6	V208 Q214 Y218 I222 Q229 V230 Y232 C264	V208-I210 HydrophobicContact CG1-CG2 4.1Å; I210-Q214 HydrophobicContact CD1-CB 4.37Å; I210-Y218 HydrophobicContact CG2-CG 4.4Å; I210-I222 HydrophobicContact CD1-CD1 4.33Å; I210-I222 HydrophobicContact CG2-CD1 3.6Å; I210-Q229 VanDerWaalsContact CD1-CD 3.49Å; I210-Q229 HydrophobicContact CD1-CG 3.6Å; I210-Q229 HydrophobicContact CG1-CG 3.89Å; I210-V230 PolarHBondContact N-O 2.99Å; I210-Y232 VanDerWaalsContact C-CD1 3.41Å; I210-Y232 WeakPolarHBondContact O-CD1 3.4Å; I210-Y232 WeakPolarHBondContact O-CE1 3.44Å; I210-Y232 PolarHBondContact O-N 3.48Å; I210-Y232 VanDerWaalsContact O-N 3.08Å; I210-C264 HydrophobicContact CG2-CB 4.23Å
211	P	98.8	Very high	97.5	Very high	4 Å²	4	24 Å²	24	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	146.7	-179.7	25	-30.4	0	0	0	110.9	P213 Q214 Y232 L234 I266	P211-P213 CarbonylContact C-O 3.59Å; P211-P213 CarbonylContact O-C 3.46Å; P211-P213 VanDerWaalsContact O-C 3.3Å; P211-Q214 WeakPolarHBondContact O-CA 3.46Å; P211-Q214 WeakPolarHBondContact O-CB 3.34Å; P211-Q214 PolarHBondContact O-N 3.37Å; P211-Y232 CarbonylContact C-O 3.48Å; P211-Y232 VanDerWaalsContact CA-CE2 3.46Å; P211-Y232 WeakPolarHBondContact CA-O 3.38Å; P211-Y232 HydrophobicContact CB-CD2 4.46Å; P211-Y232 HydrophobicContact CB-CE1 4.31Å; P211-Y232 HydrophobicContact CB-CE2 3.58Å; P211-Y232 WeakPolarHBondContact CB-OH 3.39Å; P211-Y232 WeakPolarHBondContact CD-OH 3.39Å; P211-Y232 VanDerWaalsContact N-CE1 3.26Å; P211-Y232 VanDerWaalsContact N-CZ 3.33Å; P211-L234 HydrophobicContact CB-CD1 4.01Å; P211-L234 HydrophobicContact CB-CD2 4.25Å; P211-L234 HydrophobicContact CB-CG 4Å; P211-I266 HydrophobicContact CG-CD1 3.84Å; P211-I266 HydrophobicContact CG-CG1 4.13Å
212	I	98.8	Very high	97.6	Very high	5 Å²	5	22 Å²	22	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.2	164.3	-59.2	-61.3	0	0	0	107.6	Q214 N231 Y232 Y233 L234 G484	I212-Q214 HydrophobicContact CD1-CB 4.36Å; I212-N231 HydrophobicContact CD1-CB 4.39Å; I212-N231 HydrophobicContact CG1-CB 3.69Å; I212-Y232 PolarHBondContact N-O 3.4Å; I212-Y233 HydrophobicContact CB-CD1 3.84Å; I212-Y233 HydrophobicContact CB-CE1 4.01Å; I212-Y233 HydrophobicContact CB-CG 4.47Å; I212-Y233 HydrophobicContact CG2-CD1 3.74Å; I212-Y233 HydrophobicContact CG2-CE1 3.64Å; I212-L234 PolarHBondContact O-N 3.31Å; I212-G484 VanDerWaalsContact CG2-C 3.43Å
213	P	98.6	Very high	97.7	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.013	11%	0.107	C	C	.	.	S	Bend	cis	-67.3	145.3	0.9	-19.9	33.3	0	0	0	114.3	P211 W240 P271 T272 F441 F483 G484	P211-P213 CarbonylContact C-O 3.59Å; P211-P213 CarbonylContact O-C 3.46Å; P211-P213 VanDerWaalsContact O-C 3.3Å; P213-W240 HydrophobicContact CG-CH2 4.09Å; P213-W240 HydrophobicContact CG-CZ3 4.08Å; P213-P271 HydrophobicContact CB-CG 3.67Å; P213-T272 HydrophobicContact CB-CG2 4.32Å; P213-T272 HydrophobicContact CG-CG2 4.01Å; P213-F441 HydrophobicContact CB-CD1 4.36Å; P213-F441 HydrophobicContact CB-CE1 3.78Å; P213-F441 HydrophobicContact CB-CZ 4.01Å; P213-F441 HydrophobicContact CG-CD1 3.8Å; P213-F441 HydrophobicContact CG-CE1 3.3Å; P213-F441 HydrophobicContact CG-CZ 4.03Å; P213-F483 HydrophobicContact CB-CB 4.07Å; P213-G484 WeakPolarHBondContact CA-O 3.35Å; P213-G484 WeakPolarHBondContact CB-O 3.28Å
214	Q	96	Very high	97.7	Very high	14 Å²	14	18 Å²	18	7%	0.065	10%	0.098	C	C	.	.			trans	-104.3	164.6	-173.5	81	-173.9	-79.6	0	0	113.5	I210 P211 I212 P216 S219 P271 F483	I210-Q214 HydrophobicContact CD1-CB 4.37Å; P211-Q214 WeakPolarHBondContact O-CA 3.46Å; P211-Q214 WeakPolarHBondContact O-CB 3.34Å; P211-Q214 PolarHBondContact O-N 3.37Å; I212-Q214 HydrophobicContact CD1-CB 4.36Å; Q214-P216 HydrophobicContact CG-CG 4.43Å; Q214-S219 PolarHBondContact OE1-OG 2.93Å; Q214-P271 WeakPolarHBondContact O-CD 3.21Å; Q214-F483 VanDerWaalsContact CG-O 3.27Å; Q214-F483 WeakPolarHBondContact CG-O 3.13Å; Q214-F483 PolarHBondContact N-O 3.32Å; Q214-F483 VanDerWaalsContact O-CD1 3.23Å; Q214-F483 WeakPolarHBondContact O-CD1 3.44Å
215	Y	96.7	Very high	97.7	Very high	36 Å²	36	16.2 Å²	16.2	14%	0.141	8%	0.083	C	C	.	.			trans	-86.6	118.6	153.7	176.2	-134.1	0	0	0	109.4	Y62 L217 Y218 N270	Y62-Y215 PolarHBondContact OH-OH 2.83Å; Y215-L217 HydrophobicContact CD1-CB 3.7Å; Y215-L217 HydrophobicContact CD1-CD2 4.42Å; Y215-L217 HydrophobicContact CE1-CB 3.37Å; Y215-L217 HydrophobicContact CE1-CD2 3.8Å; Y215-L217 HydrophobicContact CE1-CG 4.24Å; Y215-L217 HydrophobicContact CG-CB 4.44Å; Y215-L217 PolarHBondContact O-N 2.89Å; Y215-Y218 HydrophobicContact CD1-CD2 4.44Å; Y215-Y218 HydrophobicContact CD1-CE2 4.24Å; Y215-Y218 WeakPolarHBondContact O-CD2 3.45Å; Y215-Y218 PolarHBondContact O-N 3.04Å; Y215-Y218 VanDerWaalsContact O-N 3.09Å; Y215-N270 VanDerWaalsContact CD2-ND2 3.32Å; Y215-N270 WeakPolarHBondContact CD2-ND2 3.24Å; Y215-N270 PolarHBondContact N-O 3.21Å
216	P	94.2	Very high	97.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.013	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-3.3	-165.8	-27.1	38	0	0	0	116.4	Y62 V64 Q214 Y218 S219 A220 G482 F483	Y62-P216 HydrophobicContact CD2-CB 3.88Å; Y62-P216 HydrophobicContact CE2-CB 4.03Å; V64-P216 HydrophobicContact CG2-CG 4.19Å; Q214-P216 HydrophobicContact CG-CG 4.43Å; P216-Y218 PolarHBondContact O-N 3.29Å; P216-S219 PolarHBondContact O-OG 3.38Å; P216-A220 VanDerWaalsContact O-CB 3.29Å; P216-A220 WeakPolarHBondContact O-CB 3.37Å; P216-A220 PolarHBondContact O-N 2.99Å; P216-G482 VanDerWaalsContact CG-O 3.25Å; P216-G482 WeakPolarHBondContact CG-O 3.38Å; P216-F483 HydrophobicContact CG-CD1 3.86Å; P216-F483 HydrophobicContact CG-CE1 4.17Å
217	L	95.8	Very high	97.7	Very high	22 Å²	22	19 Å²	19	12%	0.115	10%	0.103	C	C	.	.	H	α-helix	trans	-59.6	-38.8	169.1	175.1	67.6	0	0	0	111	Y62 I190 Y215 A220 V221	Y62-L217 HydrophobicContact CE2-CB 4.48Å; I190-L217 HydrophobicContact CD1-CD2 3.94Å; I190-L217 HydrophobicContact CG2-CD2 4.47Å; Y215-L217 HydrophobicContact CD1-CB 3.7Å; Y215-L217 HydrophobicContact CD1-CD2 4.42Å; Y215-L217 HydrophobicContact CE1-CB 3.37Å; Y215-L217 HydrophobicContact CE1-CD2 3.8Å; Y215-L217 HydrophobicContact CE1-CG 4.24Å; Y215-L217 HydrophobicContact CG-CB 4.44Å; Y215-L217 PolarHBondContact O-N 2.89Å; L217-A220 PolarHBondContact O-N 3.36Å; L217-V221 HydrophobicContact CD1-CG2 3.84Å; L217-V221 HydrophobicContact CG-CG2 4.26Å; L217-V221 WeakPolarHBondContact O-CB 3.49Å; L217-V221 VanDerWaalsContact O-CG2 3.28Å; L217-V221 WeakPolarHBondContact O-CG2 3.43Å; L217-V221 PolarHBondContact O-N 3.35Å
218	Y	98.2	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.8	-53.6	-175.2	-71.6	-82	0	0	0	112.1	I190 I210 Y215 P216 A220 V221 I222 C264 I266 D298	I190-Y218 HydrophobicContact CD1-CE1 4.43Å; I190-Y218 VanDerWaalsContact CD1-OH 3.27Å; I190-Y218 WeakPolarHBondContact CD1-OH 3.37Å; I190-Y218 HydrophobicContact CG2-CD1 4.1Å; I190-Y218 HydrophobicContact CG2-CE1 3.64Å; I210-Y218 HydrophobicContact CG2-CG 4.4Å; Y215-Y218 HydrophobicContact CD1-CD2 4.44Å; Y215-Y218 HydrophobicContact CD1-CE2 4.24Å; Y215-Y218 WeakPolarHBondContact O-CD2 3.45Å; Y215-Y218 PolarHBondContact O-N 3.04Å; Y215-Y218 VanDerWaalsContact O-N 3.09Å; P216-Y218 PolarHBondContact O-N 3.29Å; Y218-A220 VanDerWaalsContact C-N 3.31Å; Y218-A220 PolarHBondContact O-N 3.31Å; Y218-V221 PolarHBondContact O-N 3.05Å; Y218-I222 WeakPolarHBondContact O-CB 3.29Å; Y218-I222 WeakPolarHBondContact O-CD1 3.33Å; Y218-I222 WeakPolarHBondContact O-CG1 3.28Å; Y218-I222 PolarHBondContact O-N 2.78Å; Y218-C264 HydrophobicContact CD1-CB 3.98Å; Y218-C264 HydrophobicContact CE1-CB 3.82Å; Y218-I266 HydrophobicContact CD2-CD1 4.04Å; Y218-I266 HydrophobicContact CE2-CD1 3.71Å; Y218-I266 HydrophobicContact CE2-CG1 3.97Å; Y218-D298 WeakPolarHBondContact OH-CB 3.3Å; Y218-D298 VanDerWaalsContact OH-CG 3.29Å; Y218-D298 PolarHBondContact OH-OD2 3.3Å
219	S	97.2	Very high	97.7	Very high	17 Å²	17	24 Å²	24	12%	0.119	13%	0.129	C	C	.	.	H	α-helix	trans	-56.8	-43.8	174	42.5	0	0	0	0	112.4	Q214 P216 V221 I222 S223	Q214-S219 PolarHBondContact OE1-OG 2.93Å; P216-S219 PolarHBondContact O-OG 3.38Å; S219-V221 PolarHBondContact O-N 2.75Å; S219-I222 PolarHBondContact O-N 2.99Å; S219-S223 PolarHBondContact O-N 2.79Å; S219-S223 PolarHBondContact O-OG 2.78Å
220	A	96.1	Very high	97.6	Very high	10 Å²	10	24.3 Å²	24.3	8%	0.083	13%	0.131	C	C	.	.	H	α-helix	trans	-57.4	-47.7	177.5	0	0	0	0	0	112.4	V60 Y62 P216 L217 Y218 S223 E224	V60-A220 HydrophobicContact CG1-CB 3.76Å; Y62-A220 HydrophobicContact CD2-CB 4.47Å; P216-A220 VanDerWaalsContact O-CB 3.29Å; P216-A220 WeakPolarHBondContact O-CB 3.37Å; P216-A220 PolarHBondContact O-N 2.99Å; L217-A220 PolarHBondContact O-N 3.36Å; Y218-A220 VanDerWaalsContact C-N 3.31Å; Y218-A220 PolarHBondContact O-N 3.31Å; A220-S223 PolarHBondContact O-N 2.8Å; A220-E224 WeakPolarHBondContact O-CB 3.43Å; A220-E224 PolarHBondContact O-N 2.96Å
221	V	97.9	Very high	97.6	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-69.4	-37.1	179	173	0	0	0	0	111.5	S191 L194 L217 Y218 S219 E224 L225	S191-V221 WeakPolarHBondContact OG-CG2 3.47Å; L194-V221 HydrophobicContact CB-CG1 4.08Å; L194-V221 HydrophobicContact CD1-CB 4.23Å; L194-V221 HydrophobicContact CD1-CG1 3.64Å; L217-V221 HydrophobicContact CD1-CG2 3.84Å; L217-V221 HydrophobicContact CG-CG2 4.26Å; L217-V221 WeakPolarHBondContact O-CB 3.49Å; L217-V221 VanDerWaalsContact O-CG2 3.28Å; L217-V221 WeakPolarHBondContact O-CG2 3.43Å; L217-V221 PolarHBondContact O-N 3.35Å; Y218-V221 PolarHBondContact O-N 3.05Å; S219-V221 PolarHBondContact O-N 2.75Å; V221-E224 PolarHBondContact O-N 3.04Å; V221-L225 HydrophobicContact CG1-CD1 3.72Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 WeakPolarHBondContact O-CB 3.29Å; V221-L225 VanDerWaalsContact O-CG 3.28Å; V221-L225 WeakPolarHBondContact O-CG 3.27Å; V221-L225 PolarHBondContact O-N 3.39Å
222	I	98.4	Very high	97.6	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175	-73.1	162.3	0	0	0	110.4	V208 I210 Y218 S219 L225 D226 A227 Q229	V208-I222 HydrophobicContact CB-CD1 3.75Å; V208-I222 HydrophobicContact CB-CG1 3.95Å; V208-I222 HydrophobicContact CG1-CD1 3.7Å; V208-I222 HydrophobicContact CG1-CG1 4.08Å; V208-I222 HydrophobicContact CG2-CG1 4.26Å; I210-I222 HydrophobicContact CD1-CD1 4.33Å; I210-I222 HydrophobicContact CG2-CD1 3.6Å; Y218-I222 WeakPolarHBondContact O-CB 3.29Å; Y218-I222 WeakPolarHBondContact O-CD1 3.33Å; Y218-I222 WeakPolarHBondContact O-CG1 3.28Å; Y218-I222 PolarHBondContact O-N 2.78Å; S219-I222 PolarHBondContact O-N 2.99Å; I222-L225 PolarHBondContact O-N 3.32Å; I222-D226 PolarHBondContact O-N 2.94Å; I222-D226 VanDerWaalsContact O-N 3.08Å; I222-A227 HydrophobicContact CG2-CB 3.99Å; I222-A227 WeakPolarHBondContact CG2-O 3.47Å; I222-A227 PolarHBondContact O-N 3.36Å; I222-Q229 HydrophobicContact CD1-CG 4.33Å; I222-Q229 HydrophobicContact CG2-CB 3.9Å
223	S	97.2	Very high	97.6	Very high	34 Å²	34	30 Å²	30	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-62.4	-44.4	174.8	-66.3	0	0	0	0	112.5	A59 S219 A220 L225 D226	A59-S223 PolarHBondContact O-OG 3.28Å; S219-S223 PolarHBondContact O-N 2.79Å; S219-S223 PolarHBondContact O-OG 2.78Å; A220-S223 PolarHBondContact O-N 2.8Å; S223-L225 PolarHBondContact O-N 2.52Å; S223-D226 PolarHBondContact O-N 2.93Å; S223-D226 VanDerWaalsContact O-N 3.1Å
224	E	97.6	Very high	97.7	Very high	105 Å²	105	30.2 Å²	30.2	49%	0.491	16%	0.157	S	C	.	.	H	α-helix	trans	-59.1	-36.9	178	-170.7	-172.6	166	0	0	111.8	Q56 V60 A220 V221	Q56-E224 PolarHBondContact OE1-O 3.41Å; V60-E224 HydrophobicContact CG2-CB 4.13Å; A220-E224 WeakPolarHBondContact O-CB 3.43Å; A220-E224 PolarHBondContact O-N 2.96Å; V221-E224 PolarHBondContact O-N 3.04Å
225	L	97.9	Very high	97.8	Very high	31 Å²	31	31.4 Å²	31.4	16%	0.162	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.8	-179.9	-63.7	173.8	0	0	0	113.5	L194 K195 V198 R205 V221 I222 S223 A227	L194-L225 HydrophobicContact CB-CD1 3.72Å; K195-L225 HydrophobicContact CB-CD1 4.25Å; K195-L225 HydrophobicContact CB-CD2 3.97Å; K195-L225 HydrophobicContact CD-CD2 4.5Å; K195-L225 HydrophobicContact CG-CD2 4.03Å; V198-L225 HydrophobicContact CB-CB 4.43Å; V198-L225 HydrophobicContact CG1-CB 4.21Å; V198-L225 HydrophobicContact CG2-CB 4.33Å; V198-L225 HydrophobicContact CG2-CD1 4.13Å; R205-L225 PolarHBondContact NH2-O 2.96Å; V221-L225 HydrophobicContact CG1-CD1 3.72Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 WeakPolarHBondContact O-CB 3.29Å; V221-L225 VanDerWaalsContact O-CG 3.28Å; V221-L225 WeakPolarHBondContact O-CG 3.27Å; V221-L225 PolarHBondContact O-N 3.39Å; I222-L225 PolarHBondContact O-N 3.32Å; S223-L225 PolarHBondContact O-N 2.52Å; L225-A227 PolarHBondContact O-N 3.18Å
226	D	97.9	Very high	97.9	Very high	96 Å²	96	30.5 Å²	30.5	51%	0.513	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	40.5	-172.3	-175.3	47.5	0	0	0	112	Q56 R205 I222 S223	Q56-D226 HydrophobicContact CG-CB 4.02Å; R205-D226 PolarHBondContact NE-O 2.81Å; R205-D226 PolarHBondContact NH2-O 2.94Å; R205-D226 VanDerWaalsContact NH2-O 3.12Å; I222-D226 PolarHBondContact O-N 2.94Å; I222-D226 VanDerWaalsContact O-N 3.08Å; S223-D226 PolarHBondContact O-N 2.93Å; S223-D226 VanDerWaalsContact O-N 3.1Å
227	A	98.5	Very high	98.1	Very high	14 Å²	14	37.8 Å²	37.8	12%	0.116	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-86.9	164.5	171	0	0	0	0	0	110.2	V198 V208 I222 L225	V198-A227 HydrophobicContact CB-CB 4.4Å; V198-A227 HydrophobicContact CG1-CB 3.81Å; V198-A227 HydrophobicContact CG2-CB 3.59Å; V208-A227 HydrophobicContact CG2-CB 4.21Å; I222-A227 HydrophobicContact CG2-CB 3.99Å; I222-A227 WeakPolarHBondContact CG2-O 3.47Å; I222-A227 PolarHBondContact O-N 3.36Å; L225-A227 PolarHBondContact O-N 3.18Å
228	V	98.6	Very high	98.2	Very high	38 Å²	38	41.3 Å²	41.3	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.8	176.9	-178.9	0	0	0	0	109.3	R205 T206 G207 V208 V230 C258	R205-V228 HydrophobicContact CB-CG2 4.19Å; R205-V228 HydrophobicContact CG-CG2 4.11Å; T206-V228 PolarHBondContact O-N 3.19Å; G207-V228 CarbonylContact C-O 3.55Å; G207-V228 VanDerWaalsContact CA-O 3.3Å; G207-V228 WeakPolarHBondContact CA-O 3.42Å; V208-V228 PolarHBondContact N-O 3.13Å; V228-V230 PolarHBondContact O-N 3.48Å; V228-C258 HydrophobicContact CB-CB 3.68Å; V228-C258 HydrophobicContact CG1-CB 3.78Å; V228-C258 HydrophobicContact CG2-CB 3.73Å
229	Q	98.6	Very high	98.2	Very high	65 Å²	65	43.5 Å²	43.5	30%	0.304	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.6	173.9	-172.3	179.7	-54.1	0	0	110	I210 I222 N231	I210-Q229 VanDerWaalsContact CD1-CD 3.49Å; I210-Q229 HydrophobicContact CD1-CG 3.6Å; I210-Q229 HydrophobicContact CG1-CG 3.89Å; I222-Q229 HydrophobicContact CD1-CG 4.33Å; I222-Q229 HydrophobicContact CG2-CB 3.9Å; Q229-N231 WeakPolarHBondContact CG-OD1 3.45Å; Q229-N231 PolarHBondContact NE2-OD1 2.73Å
230	V	98.8	Very high	98.2	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	110.8	175.5	180	0	0	0	0	108.4	V208 M209 I210 V228 A250 A254	V208-V230 PolarHBondContact O-N 3.32Å; M209-V230 CarbonylContact C-O 3.53Å; M209-V230 WeakPolarHBondContact CA-O 3.42Å; M209-V230 HydrophobicContact CG-CB 4.02Å; M209-V230 HydrophobicContact CG-CG1 3.94Å; I210-V230 PolarHBondContact N-O 2.99Å; V228-V230 PolarHBondContact O-N 3.48Å; V230-A250 HydrophobicContact CG1-CB 4.25Å; V230-A254 HydrophobicContact CB-CB 4.29Å; V230-A254 HydrophobicContact CG1-CB 3.66Å; V230-A254 HydrophobicContact CG2-CB 3.58Å
231	N	98.8	Very high	98.3	Very high	59 Å²	59	43.5 Å²	43.5	32%	0.316	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.7	-177.9	-67.1	-15	0	0	0	110.7	I212 Q229 A250	I212-N231 HydrophobicContact CD1-CB 4.39Å; I212-N231 HydrophobicContact CG1-CB 3.69Å; Q229-N231 WeakPolarHBondContact CG-OD1 3.45Å; Q229-N231 PolarHBondContact NE2-OD1 2.73Å; N231-A250 WeakPolarHBondContact O-CB 3.34Å
232	Y	98.8	Very high	98.4	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.1	160.4	69.1	-98.6	0	0	0	109.5	M209 I210 P211 I212 L234 L242 E246 L247 L263 C264	M209-Y232 HydrophobicContact CB-CD1 4.12Å; M209-Y232 HydrophobicContact CB-CE1 4.42Å; M209-Y232 HydrophobicContact CE-CD1 4.41Å; I210-Y232 VanDerWaalsContact C-CD1 3.41Å; I210-Y232 WeakPolarHBondContact O-CD1 3.4Å; I210-Y232 WeakPolarHBondContact O-CE1 3.44Å; I210-Y232 PolarHBondContact O-N 3.48Å; I210-Y232 VanDerWaalsContact O-N 3.08Å; P211-Y232 CarbonylContact C-O 3.48Å; P211-Y232 VanDerWaalsContact CA-CE2 3.46Å; P211-Y232 WeakPolarHBondContact CA-O 3.38Å; P211-Y232 HydrophobicContact CB-CD2 4.46Å; P211-Y232 HydrophobicContact CB-CE1 4.31Å; P211-Y232 HydrophobicContact CB-CE2 3.58Å; P211-Y232 WeakPolarHBondContact CB-OH 3.39Å; P211-Y232 WeakPolarHBondContact CD-OH 3.39Å; P211-Y232 VanDerWaalsContact N-CE1 3.26Å; P211-Y232 VanDerWaalsContact N-CZ 3.33Å; I212-Y232 PolarHBondContact N-O 3.4Å; Y232-L234 HydrophobicContact CE2-CD2 3.96Å; Y232-L242 HydrophobicContact CD2-CD2 4.29Å; Y232-L242 HydrophobicContact CE2-CD2 3.36Å; Y232-E246 WeakPolarHBondContact CA-OE1 3.23Å; Y232-L247 HydrophobicContact CD1-CD2 3.63Å; Y232-L247 HydrophobicContact CD2-CD2 3.59Å; Y232-L247 HydrophobicContact CE1-CD2 4.07Å; Y232-L247 HydrophobicContact CE2-CD2 4.07Å; Y232-L247 HydrophobicContact CG-CD2 3.36Å; Y232-L263 HydrophobicContact CD1-CD1 4.1Å; Y232-L263 HydrophobicContact CE1-CD1 3.6Å; Y232-C264 PolarHBondContact OH-O 3.02Å
233	Y	98.9	Very high	98.4	Very high	66 Å²	66	46.5 Å²	46.5	26%	0.259	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.9	-174.1	-67.5	-89.3	0	0	0	111.6	I212 E246 R486	I212-Y233 HydrophobicContact CB-CD1 3.84Å; I212-Y233 HydrophobicContact CB-CE1 4.01Å; I212-Y233 HydrophobicContact CB-CG 4.47Å; I212-Y233 HydrophobicContact CG2-CD1 3.74Å; I212-Y233 HydrophobicContact CG2-CE1 3.64Å; Y233-E246 WeakPolarHBondContact CD2-OE1 3.41Å; Y233-E246 PolarHBondContact N-OE1 3.44Å; Y233-E246 WeakPolarHBondContact O-CG 3.28Å; Y233-R486 HydrophobicContact CD1-CB 4.5Å; Y233-R486 HydrophobicContact CD1-CG 3.48Å; Y233-R486 VanDerWaalsContact CD1-CG 3.48Å; Y233-R486 HydrophobicContact CE1-CG 3.95Å; Y233-R486 HydrophobicContact CG-CG 4.16Å
234	L	98.9	Very high	98.4	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.031	24%	0.242	C	C	.	.			trans	-64.7	146.6	168.4	-64.4	175.5	0	0	0	110	P211 I212 Y232 E236 W240 L242 T272	P211-L234 HydrophobicContact CB-CD1 4.01Å; P211-L234 HydrophobicContact CB-CD2 4.25Å; P211-L234 HydrophobicContact CB-CG 4Å; I212-L234 PolarHBondContact O-N 3.31Å; Y232-L234 HydrophobicContact CE2-CD2 3.96Å; L234-E236 PolarHBondContact O-N 3.11Å; L234-W240 HydrophobicContact CB-CB 4.34Å; L234-W240 HydrophobicContact CB-CE3 3.69Å; L234-W240 HydrophobicContact CB-CZ3 4.42Å; L234-L242 HydrophobicContact CD2-CD2 3.63Å; L234-L242 HydrophobicContact CD2-CG 4.15Å; L234-T272 HydrophobicContact CD1-CG2 4.28Å
235	D	98.7	Very high	98.5	Very high	39 Å²	39	47.2 Å²	47.2	21%	0.209	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-86.6	92.3	-176.1	-170.3	-0.7	0	0	0	111.1	E237 N238 W240 A241	D235-E237 PolarHBondContact O-N 3.29Å; D235-E237 PolarHBondContact OD1-N 2.88Å; D235-N238 HydrophobicContact CB-CB 4.22Å; D235-N238 CarbonylContact O-C 3.58Å; D235-N238 VanDerWaalsContact O-C 3.32Å; D235-N238 PolarHBondContact O-N 3.09Å; D235-N238 VanDerWaalsContact O-N 3.09Å; D235-N238 WeakPolarHBondContact OD2-CB 3.17Å; D235-W240 WeakPolarHBondContact O-CA 3.48Å; D235-W240 PolarHBondContact O-N 3.4Å; D235-A241 PolarHBondContact N-O 2.67Å
236	E	98.7	Very high	98.5	Very high	18 Å²	18	46.1 Å²	46.1	8%	0.084	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53	-42.7	179.3	-172.8	174.2	178.9	0	0	112.3	L234 N238 C239 W240 N432 R443 H491	L234-E236 PolarHBondContact O-N 3.11Å; E236-N238 PolarHBondContact O-N 3.34Å; E236-C239 PolarHBondContact O-N 3.35Å; E236-W240 HydrophobicContact CB-CD2 4.23Å; E236-W240 HydrophobicContact CB-CE3 3.85Å; E236-W240 HydrophobicContact CB-CH2 3.5Å; E236-W240 HydrophobicContact CB-CZ2 3.89Å; E236-W240 HydrophobicContact CB-CZ3 3.49Å; E236-W240 VanDerWaalsContact CB-CZ3 3.49Å; E236-W240 HydrophobicContact CG-CD2 4.38Å; E236-W240 HydrophobicContact CG-CE3 4.41Å; E236-W240 HydrophobicContact CG-CH2 3.51Å; E236-W240 HydrophobicContact CG-CZ2 3.43Å; E236-W240 VanDerWaalsContact CG-CZ2 3.43Å; E236-W240 HydrophobicContact CG-CZ3 4.03Å; E236-N432 PolarHBondContact O-ND2 2.91Å; E236-R443 VanDerWaalsContact OE1-CB 3.29Å; E236-R443 WeakPolarHBondContact OE1-CB 3.49Å; E236-R443 WeakPolarHBondContact OE1-CD 3.33Å; E236-R443 IonicContact OE2-NH1 3.41Å; E236-H491 IonicContact OE1-NE2 2.66Å; E236-H491 PolarHBondContact OE1-NE2 2.85Å; E236-H491 IonicContact OE2-CE1 2.82Å; E236-H491 IonicContact OE2-NE2 2.69Å
237	E	98.3	Very high	98.6	Very high	155 Å²	155	41.5 Å²	41.5	72%	0.724	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-70.8	-15.5	-175.6	-55.3	-62.9	154.8	0	0	112.1	D235 R443	D235-E237 PolarHBondContact O-N 3.29Å; D235-E237 PolarHBondContact OD1-N 2.88Å; E237-R443 IonicContact OE1-NH1 2.87Å
238	N	97.9	Very high	98.6	Very high	95 Å²	95	43.4 Å²	43.4	51%	0.508	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-120	51.7	176.3	-169.6	24.4	0	0	0	111.3	D235 E236 W240 A241	D235-N238 HydrophobicContact CB-CB 4.22Å; D235-N238 CarbonylContact O-C 3.58Å; D235-N238 VanDerWaalsContact O-C 3.32Å; D235-N238 PolarHBondContact O-N 3.09Å; D235-N238 VanDerWaalsContact O-N 3.09Å; D235-N238 WeakPolarHBondContact OD2-CB 3.17Å; E236-N238 PolarHBondContact O-N 3.34Å; N238-W240 VanDerWaalsContact C-N 3.27Å; N238-W240 PolarHBondContact O-N 3.31Å; N238-A241 HydrophobicContact CB-CB 4.49Å; N238-A241 WeakPolarHBondContact O-CB 3.46Å; N238-A241 PolarHBondContact O-N 3.5Å
239	C	97.6	Very high	98.6	Very high	46 Å²	46	46.3 Å²	46.3	31%	0.311	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	36.1	175.1	-61.5	0	0	0	0	114.3	E236 A241 Q274	E236-C239 PolarHBondContact O-N 3.35Å; C239-A241 PolarHBondContact O-N 3.05Å; C239-Q274 WeakPolarHBondContact O-CB 3.34Å
240	W	98.6	Very high	98.6	Very high	10 Å²	10	43.5 Å²	43.5	4%	0.038	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	29.4	-176.9	-57.5	114.2	0	0	0	114.3	P213 L234 D235 E236 N238 T272 Q274 Q276 N432 F441 H491	P213-W240 HydrophobicContact CG-CH2 4.09Å; P213-W240 HydrophobicContact CG-CZ3 4.08Å; L234-W240 HydrophobicContact CB-CB 4.34Å; L234-W240 HydrophobicContact CB-CE3 3.69Å; L234-W240 HydrophobicContact CB-CZ3 4.42Å; D235-W240 WeakPolarHBondContact O-CA 3.48Å; D235-W240 PolarHBondContact O-N 3.4Å; E236-W240 HydrophobicContact CB-CD2 4.23Å; E236-W240 HydrophobicContact CB-CE3 3.85Å; E236-W240 HydrophobicContact CB-CH2 3.5Å; E236-W240 HydrophobicContact CB-CZ2 3.89Å; E236-W240 HydrophobicContact CB-CZ3 3.49Å; E236-W240 VanDerWaalsContact CB-CZ3 3.49Å; E236-W240 HydrophobicContact CG-CD2 4.38Å; E236-W240 HydrophobicContact CG-CE3 4.41Å; E236-W240 HydrophobicContact CG-CH2 3.51Å; E236-W240 HydrophobicContact CG-CZ2 3.43Å; E236-W240 VanDerWaalsContact CG-CZ2 3.43Å; E236-W240 HydrophobicContact CG-CZ3 4.03Å; N238-W240 VanDerWaalsContact C-N 3.27Å; N238-W240 PolarHBondContact O-N 3.31Å; W240-T272 HydrophobicContact CB-CG2 4.17Å; W240-T272 HydrophobicContact CD2-CG2 3.54Å; W240-T272 HydrophobicContact CE3-CG2 4.06Å; W240-T272 HydrophobicContact CG-CG2 3.61Å; W240-T272 HydrophobicContact CZ2-CG2 4.35Å; W240-Q274 HydrophobicContact CB-CB 4.1Å; W240-Q274 HydrophobicContact CB-CG 3.93Å; W240-Q274 WeakPolarHBondContact O-CG 3.27Å; W240-Q274 PolarHBondContact O-NE2 2.63Å; W240-Q276 PolarHBondContact O-NE2 2.76Å; W240-N432 PolarHBondContact NE1-ND2 3.45Å; W240-N432 VanDerWaalsContact NE1-ND2 3.17Å; W240-F441 HydrophobicContact CH2-CD1 4.48Å; W240-F441 HydrophobicContact CZ2-CD1 4.05Å; W240-H491 AromaticContact CH2-NE2 3.86Å; W240-H491 AromaticContact CZ2-NE2 3.91Å
241	A	98.4	Very high	98.6	Very high	17 Å²	17	43.2 Å²	43.2	14%	0.14	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-61	152.3	175.8	0	0	0	0	0	111.9	D235 N238 C239	D235-A241 PolarHBondContact N-O 2.67Å; N238-A241 HydrophobicContact CB-CB 4.49Å; N238-A241 WeakPolarHBondContact O-CB 3.46Å; N238-A241 PolarHBondContact O-N 3.5Å; C239-A241 PolarHBondContact O-N 3.05Å
242	L	98.6	Very high	98.6	Very high	14 Å²	14	48 Å²	48	7%	0.073	23%	0.229	C	C	.	.			trans	-74.1	137	165	-63.1	154.3	0	0	0	108.9	Y232 L234 I265 Q276 V284	Y232-L242 HydrophobicContact CD2-CD2 4.29Å; Y232-L242 HydrophobicContact CE2-CD2 3.36Å; L234-L242 HydrophobicContact CD2-CD2 3.63Å; L234-L242 HydrophobicContact CD2-CG 4.15Å; L242-I265 HydrophobicContact CD1-CD1 4.05Å; L242-I265 HydrophobicContact CD1-CG2 3.73Å; L242-I265 HydrophobicContact CD2-CD1 4.02Å; L242-Q276 HydrophobicContact CD1-CG 3.9Å; L242-V284 HydrophobicContact CB-CG2 4.13Å; L242-V284 HydrophobicContact CD1-CG2 4Å
243	N	98.2	Very high	98.5	Very high	58 Å²	58	53.3 Å²	53.3	31%	0.31	25%	0.254	S	S	.	.			trans	-118.1	121	177	-178.9	-39	0	0	0	108.9	D245 E246 L247	N243-D245 VanDerWaalsContact C-N 3.35Å; N243-D245 PolarHBondContact O-N 2.93Å; N243-D245 WeakPolarHBondContact OD1-CB 3.46Å; N243-D245 PolarHBondContact OD1-N 3.03Å; N243-E246 HydrophobicContact CB-CB 3.91Å; N243-E246 WeakPolarHBondContact O-CB 3.45Å; N243-E246 PolarHBondContact O-N 3.47Å; N243-E246 PolarHBondContact OD1-N 3.13Å; N243-L247 WeakPolarHBondContact O-CG 3.37Å; N243-L247 PolarHBondContact O-N 3.22Å; N243-L247 VanDerWaalsContact O-N 3.07Å
244	V	98.6	Very high	98.5	Very high	32 Å²	32	50.2 Å²	50.2	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-70.2	-31.3	-175.7	175.7	0	0	0	0	112.3	E246 L247 R248 D283 V284 F287	V244-E246 VanDerWaalsContact C-N 3.31Å; V244-E246 PolarHBondContact O-N 3.05Å; V244-L247 PolarHBondContact O-N 3.02Å; V244-R248 WeakPolarHBondContact O-CB 3.28Å; V244-R248 PolarHBondContact O-N 2.76Å; V244-D283 HydrophobicContact CG2-CB 3.88Å; V244-V284 HydrophobicContact CG2-CG2 4.42Å; V244-F287 HydrophobicContact CG1-CB 3.95Å; V244-F287 HydrophobicContact CG1-CD2 3.97Å; V244-F287 HydrophobicContact CG1-CG 4.14Å
245	D	98.6	Very high	98.5	Very high	121 Å²	121	55 Å²	55	65%	0.647	26%	0.263	S	S	*	.	H	α-helix	trans	-67.1	-37.5	176	-67.8	-35.9	0	0	0	111.4	N243 R248 R249	N243-D245 VanDerWaalsContact C-N 3.35Å; N243-D245 PolarHBondContact O-N 2.93Å; N243-D245 WeakPolarHBondContact OD1-CB 3.46Å; N243-D245 PolarHBondContact OD1-N 3.03Å; D245-R248 PolarHBondContact O-N 3.43Å; D245-R249 PolarHBondContact O-N 3.18Å
246	E	98.8	Very high	98.4	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-49.3	170.2	164.1	70.3	-147.8	0	0	111.6	Y232 Y233 N243 V244 R248 R249 A250	Y232-E246 WeakPolarHBondContact CA-OE1 3.23Å; Y233-E246 WeakPolarHBondContact CD2-OE1 3.41Å; Y233-E246 PolarHBondContact N-OE1 3.44Å; Y233-E246 WeakPolarHBondContact O-CG 3.28Å; N243-E246 HydrophobicContact CB-CB 3.91Å; N243-E246 WeakPolarHBondContact O-CB 3.45Å; N243-E246 PolarHBondContact O-N 3.47Å; N243-E246 PolarHBondContact OD1-N 3.13Å; V244-E246 VanDerWaalsContact C-N 3.31Å; V244-E246 PolarHBondContact O-N 3.05Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 2.83Å; E246-R249 WeakPolarHBondContact O-CB 3.41Å; E246-R249 PolarHBondContact O-N 2.84Å; E246-R249 IonicContact OE1-CZ 3Å; E246-R249 IonicContact OE1-NH1 2.63Å; E246-R249 IonicContact OE1-NH2 3.96Å; E246-R249 PolarHBondContact OE1-NH2 3.46Å; E246-R249 IonicContact OE2-CZ 3.98Å; E246-R249 IonicContact OE2-NH1 3.55Å; E246-R249 PolarHBondContact OE2-NH1 2.93Å; E246-R249 IonicContact OE2-NH2 3.79Å; E246-R249 PolarHBondContact OE2-NH2 3.23Å; E246-A250 PolarHBondContact O-N 3.01Å
247	L	98.8	Very high	98.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.5	-43.4	176.6	-66.3	176	0	0	0	111.3	M209 Y232 N243 V244 R249 A250 V251 L263 V284 F287	M209-L247 HydrophobicContact CE-CB 4.35Å; M209-L247 HydrophobicContact CE-CD2 3.97Å; Y232-L247 HydrophobicContact CD1-CD2 3.63Å; Y232-L247 HydrophobicContact CD2-CD2 3.59Å; Y232-L247 HydrophobicContact CE1-CD2 4.07Å; Y232-L247 HydrophobicContact CE2-CD2 4.07Å; Y232-L247 HydrophobicContact CG-CD2 3.36Å; N243-L247 WeakPolarHBondContact O-CG 3.37Å; N243-L247 PolarHBondContact O-N 3.22Å; N243-L247 VanDerWaalsContact O-N 3.07Å; V244-L247 PolarHBondContact O-N 3.02Å; L247-R249 PolarHBondContact O-N 3.31Å; L247-A250 PolarHBondContact O-N 3.39Å; L247-V251 PolarHBondContact O-N 3.45Å; L247-L263 HydrophobicContact CD1-CD2 4.35Å; L247-L263 HydrophobicContact CD2-CD1 4.02Å; L247-V284 HydrophobicContact CD1-CG2 4.1Å; L247-F287 HydrophobicContact CB-CD1 4.15Å; L247-F287 HydrophobicContact CB-CE1 3.63Å; L247-F287 HydrophobicContact CB-CE2 4.25Å; L247-F287 HydrophobicContact CB-CZ 3.67Å; L247-F287 HydrophobicContact CD1-CD1 3.99Å; L247-F287 HydrophobicContact CD1-CE1 4.16Å; L247-F287 HydrophobicContact CG-CE1 4.43Å
248	R	98.8	Very high	98.4	Very high	54 Å²	54	55.4 Å²	55.4	20%	0.204	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-38.7	178.7	-163.1	178.1	-60.7	-85	11.4	111.9	V244 D245 E246 R252 F287 E290 E291	V244-R248 WeakPolarHBondContact O-CB 3.28Å; V244-R248 PolarHBondContact O-N 2.76Å; D245-R248 PolarHBondContact O-N 3.43Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 2.83Å; R248-R252 WeakPolarHBondContact O-CB 3.49Å; R248-R252 VanDerWaalsContact O-CG 3.22Å; R248-R252 WeakPolarHBondContact O-CG 3.46Å; R248-R252 PolarHBondContact O-N 3.49Å; R248-R252 VanDerWaalsContact O-N 3.09Å; R248-F287 HydrophobicContact CB-CE2 3.98Å; R248-F287 HydrophobicContact CG-CE2 4.34Å; R248-E290 IonicContact CZ-OE2 2.77Å; R248-E290 IonicContact NH1-OE2 3.1Å; R248-E290 PolarHBondContact NH1-OE2 2.87Å; R248-E290 IonicContact NH2-OE2 3.41Å; R248-E290 PolarHBondContact NH2-OE2 3.3Å; R248-E291 IonicContact NH1-OE1 3.85Å
249	R	98.7	Very high	98.4	Very high	99 Å²	99	53.9 Å²	53.9	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-61.8	-48.7	172.4	-172.4	-168.3	71.5	-125.9	-1.1	111	D245 E246 L247 V251 R252 Q253	D245-R249 PolarHBondContact O-N 3.18Å; E246-R249 WeakPolarHBondContact O-CB 3.41Å; E246-R249 PolarHBondContact O-N 2.84Å; E246-R249 IonicContact OE1-CZ 3Å; E246-R249 IonicContact OE1-NH1 2.63Å; E246-R249 IonicContact OE1-NH2 3.96Å; E246-R249 PolarHBondContact OE1-NH2 3.46Å; E246-R249 IonicContact OE2-CZ 3.98Å; E246-R249 IonicContact OE2-NH1 3.55Å; E246-R249 PolarHBondContact OE2-NH1 2.93Å; E246-R249 IonicContact OE2-NH2 3.79Å; E246-R249 PolarHBondContact OE2-NH2 3.23Å; L247-R249 PolarHBondContact O-N 3.31Å; R249-V251 PolarHBondContact O-N 3.31Å; R249-R252 PolarHBondContact O-N 3Å; R249-Q253 PolarHBondContact O-N 3.05Å
250	A	98.8	Very high	98.5	Very high	5 Å²	5	52 Å²	52	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-45.6	-178.5	0	0	0	0	0	112	M209 V230 N231 E246 L247 Q253 A254	M209-A250 HydrophobicContact CE-CB 3.99Å; V230-A250 HydrophobicContact CG1-CB 4.25Å; N231-A250 WeakPolarHBondContact O-CB 3.34Å; E246-A250 PolarHBondContact O-N 3.01Å; L247-A250 PolarHBondContact O-N 3.39Å; A250-Q253 PolarHBondContact O-N 3.44Å; A250-A254 VanDerWaalsContact O-CB 3.23Å; A250-A254 WeakPolarHBondContact O-CB 3.39Å; A250-A254 PolarHBondContact O-N 2.94Å
251	V	98.7	Very high	98.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-60.2	-47.6	174.7	169.4	0	0	0	0	111.7	M209 L247 R249 Q253 A254 K255 P260 F287 L293	M209-V251 HydrophobicContact CE-CG2 3.53Å; M209-V251 HydrophobicContact SD-CG2 3.29Å; M209-V251 WeakPolarHBondContact SD-CG2 3.37Å; L247-V251 PolarHBondContact O-N 3.45Å; R249-V251 PolarHBondContact O-N 3.31Å; V251-Q253 PolarHBondContact O-N 3.28Å; V251-A254 PolarHBondContact O-N 2.62Å; V251-K255 HydrophobicContact CG1-CD 4.1Å; V251-K255 VanDerWaalsContact CG1-CE 3.45Å; V251-K255 HydrophobicContact CG1-CG 4.43Å; V251-K255 WeakPolarHBondContact O-CG 3.4Å; V251-K255 PolarHBondContact O-N 2.93Å; V251-P260 HydrophobicContact CG1-CB 4.48Å; V251-P260 HydrophobicContact CG1-CG 4.39Å; V251-P260 HydrophobicContact CG2-CB 4.5Å; V251-F287 HydrophobicContact CB-CZ 4.44Å; V251-F287 HydrophobicContact CG2-CE1 4.35Å; V251-F287 HydrophobicContact CG2-CZ 3.68Å; V251-L293 HydrophobicContact CG2-CD1 4.37Å
252	R	98.4	Very high	98.5	Very high	160 Å²	160	55 Å²	55	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-59.8	-45	-178.1	-76.3	172.1	-179.9	173.1	-0.2	112	R248 R249	R248-R252 WeakPolarHBondContact O-CB 3.49Å; R248-R252 VanDerWaalsContact O-CG 3.22Å; R248-R252 WeakPolarHBondContact O-CG 3.46Å; R248-R252 PolarHBondContact O-N 3.49Å; R248-R252 VanDerWaalsContact O-N 3.09Å; R249-R252 PolarHBondContact O-N 3Å
253	Q	98.3	Very high	98.5	Very high	115 Å²	115	54.3 Å²	54.3	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-41.1	177.7	-71.7	179	-22.8	0	0	111.8	R249 A250 V251 K255 D256	R249-Q253 PolarHBondContact O-N 3.05Å; A250-Q253 PolarHBondContact O-N 3.44Å; V251-Q253 PolarHBondContact O-N 3.28Å; Q253-K255 VanDerWaalsContact C-N 3.32Å; Q253-K255 PolarHBondContact O-N 3.45Å; Q253-D256 PolarHBondContact O-N 2.96Å
254	A	98.5	Very high	98.5	Very high	2 Å²	2	51.6 Å²	51.6	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-30.1	-177.9	0	0	0	0	0	113.6	V230 A250 V251 D256 H257 C258 P260	V230-A254 HydrophobicContact CB-CB 4.29Å; V230-A254 HydrophobicContact CG1-CB 3.66Å; V230-A254 HydrophobicContact CG2-CB 3.58Å; A250-A254 VanDerWaalsContact O-CB 3.23Å; A250-A254 WeakPolarHBondContact O-CB 3.39Å; A250-A254 PolarHBondContact O-N 2.94Å; V251-A254 PolarHBondContact O-N 2.62Å; A254-D256 PolarHBondContact O-N 3.38Å; A254-H257 PolarHBondContact O-N 3.12Å; A254-H257 VanDerWaalsContact O-N 3.07Å; A254-C258 PolarHBondContact O-N 3.43Å; A254-C258 PolarHBondContact O-SG 3.32Å; A254-P260 HydrophobicContact CB-CG 3.77Å
255	K	98.1	Very high	98.6	Very high	107 Å²	107	50.1 Å²	50.1	47%	0.465	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.5	177.4	-79.8	174	178.8	169.2	0	113.6	V251 Q253 H257 C258 P260 E291	V251-K255 HydrophobicContact CG1-CD 4.1Å; V251-K255 VanDerWaalsContact CG1-CE 3.45Å; V251-K255 HydrophobicContact CG1-CG 4.43Å; V251-K255 WeakPolarHBondContact O-CG 3.4Å; V251-K255 PolarHBondContact O-N 2.93Å; Q253-K255 VanDerWaalsContact C-N 3.32Å; Q253-K255 PolarHBondContact O-N 3.45Å; K255-H257 VanDerWaalsContact C-N 3.29Å; K255-H257 PolarHBondContact O-N 3Å; K255-C258 WeakPolarHBondContact CA-O 3.39Å; K255-P260 HydrophobicContact CG-CG 4.12Å; K255-E291 IonicContact NZ-OE2 2.7Å; K255-E291 PolarHBondContact NZ-OE2 3.26Å
256	D	97.1	Very high	98.6	Very high	115 Å²	115	44.9 Å²	44.9	62%	0.615	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.6	176.8	-70.1	-23.1	0	0	0	113.1	K203 Q253 A254	K203-D256 WeakPolarHBondContact CE-O 3.26Å; K203-D256 PolarHBondContact NZ-O 3.43Å; Q253-D256 PolarHBondContact O-N 2.96Å; A254-D256 PolarHBondContact O-N 3.38Å
257	H	97.8	Very high	98.6	Very high	101 Å²	101	44.5 Å²	44.5	47%	0.468	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138	-5.2	-168.9	61	72.5	0	0	0	115.4	A254 K255	A254-H257 PolarHBondContact O-N 3.12Å; A254-H257 VanDerWaalsContact O-N 3.07Å; K255-H257 VanDerWaalsContact C-N 3.29Å; K255-H257 PolarHBondContact O-N 3Å
258	C	98.6	Very high	98.6	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.02	20%	0.199	C	C	.	.	S	Bend	trans	-151.3	177.7	171.3	69.6	0	0	0	0	111.3	K203 R205 V228 A254 K255 P260	K203-C258 CarbonylContact O-C 3.04Å; K203-C258 WeakPolarHBondContact O-CA 3.42Å; R205-C258 WeakPolarHBondContact O-CB 3.34Å; V228-C258 HydrophobicContact CB-CB 3.68Å; V228-C258 HydrophobicContact CG1-CB 3.78Å; V228-C258 HydrophobicContact CG2-CB 3.73Å; A254-C258 PolarHBondContact O-N 3.43Å; A254-C258 PolarHBondContact O-SG 3.32Å; K255-C258 WeakPolarHBondContact CA-O 3.39Å; C258-P260 WeakPolarHBondContact O-CD 3.47Å
259	D	98.7	Very high	98.5	Very high	63 Å²	63	42 Å²	42	34%	0.337	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	96.2	172.5	-174.9	13	0	0	0	109.5	K203 R205 G207 K261	K203-D259 PolarHBondContact O-N 2.94Å; R205-D259 PolarHBondContact O-N 2.88Å; G207-D259 PolarHBondContact N-O 3.07Å; D259-K261 WeakPolarHBondContact O-CG 3.36Å; D259-K261 PolarHBondContact O-N 3.4Å; D259-K261 VanDerWaalsContact OD1-CE 3.26Å; D259-K261 WeakPolarHBondContact OD1-CE 3.33Å; D259-K261 IonicContact OD1-NZ 3.58Å; D259-K261 WeakPolarHBondContact OD2-CE 3.35Å; D259-K261 IonicContact OD2-NZ 3.73Å
260	P	98.7	Very high	98.5	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	118.8	179.3	-21.1	34.2	0	0	0	110.6	V251 A254 K255 C258 L293	V251-P260 HydrophobicContact CG1-CB 4.48Å; V251-P260 HydrophobicContact CG1-CG 4.39Å; V251-P260 HydrophobicContact CG2-CB 4.5Å; A254-P260 HydrophobicContact CB-CG 3.77Å; K255-P260 HydrophobicContact CG-CG 4.12Å; C258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-L293 HydrophobicContact CB-CD2 4.37Å; P260-L293 WeakPolarHBondContact O-CD2 3.48Å
261	K	98.6	Very high	98.5	Very high	91 Å²	91	37.3 Å²	37.3	40%	0.396	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	-16.9	-176	-70.6	-73.9	175.5	178.6	0	114.2	T206 G207 D259 F294	T206-K261 HydrophobicContact CG2-CB 4.15Å; G207-K261 PolarHBondContact O-N 2.67Å; D259-K261 WeakPolarHBondContact O-CG 3.36Å; D259-K261 PolarHBondContact O-N 3.4Å; D259-K261 VanDerWaalsContact OD1-CE 3.26Å; D259-K261 WeakPolarHBondContact OD1-CE 3.33Å; D259-K261 IonicContact OD1-NZ 3.58Å; D259-K261 WeakPolarHBondContact OD2-CE 3.35Å; D259-K261 IonicContact OD2-NZ 3.73Å; K261-F294 PolarHBondContact O-N 3.19Å
262	V	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.9	-169.9	-170.8	0	0	0	0	109.2	L194 L197 T206 G207 V208 M209 F294 L296	L194-V262 HydrophobicContact CD2-CG1 4.05Å; L197-V262 HydrophobicContact CB-CG2 4.13Å; L197-V262 HydrophobicContact CD1-CG1 4.3Å; L197-V262 HydrophobicContact CD1-CG2 3.78Å; L197-V262 HydrophobicContact CG-CG2 4.5Å; T206-V262 HydrophobicContact CG2-CG2 4.27Å; G207-V262 PolarHBondContact O-N 3.36Å; V208-V262 HydrophobicContact CB-CB 4.4Å; V208-V262 HydrophobicContact CG1-CB 4.09Å; V208-V262 HydrophobicContact CG1-CG1 4.14Å; V208-V262 HydrophobicContact CG2-CB 4.19Å; V208-V262 HydrophobicContact CG2-CG2 4.3Å; M209-V262 WeakPolarHBondContact CB-O 3.45Å; M209-V262 PolarHBondContact N-O 3.06Å; V262-F294 WeakPolarHBondContact CA-O 3.37Å; V262-L296 HydrophobicContact CG1-CD1 3.56Å; V262-L296 HydrophobicContact CG1-CD2 4.24Å; V262-L296 HydrophobicContact CG1-CG 4.41Å
263	L	98.9	Very high	98.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.7	173.1	174.6	61	0	0	0	110.3	M209 Y232 L247 I265 V284 F287 L293 F294 L295 L296	M209-L263 HydrophobicContact CB-CB 4.49Å; M209-L263 HydrophobicContact CB-CD1 3.69Å; M209-L263 HydrophobicContact CE-CD1 4.32Å; M209-L263 HydrophobicContact SD-CD1 4.13Å; Y232-L263 HydrophobicContact CD1-CD1 4.1Å; Y232-L263 HydrophobicContact CE1-CD1 3.6Å; L247-L263 HydrophobicContact CD1-CD2 4.35Å; L247-L263 HydrophobicContact CD2-CD1 4.02Å; L263-I265 HydrophobicContact CD1-CD1 3.85Å; L263-I265 HydrophobicContact CD2-CD1 4.09Å; L263-I265 HydrophobicContact CG-CD1 3.76Å; L263-I265 HydrophobicContact CG-CG1 4.27Å; L263-V284 HydrophobicContact CD2-CG1 3.97Å; L263-F287 HydrophobicContact CD2-CD1 4.1Å; L263-F287 HydrophobicContact CD2-CE1 4.18Å; L263-L293 HydrophobicContact CB-CB 4.31Å; L263-L293 HydrophobicContact CB-CD1 4.17Å; L263-L293 HydrophobicContact CD2-CD1 4.4Å; L263-F294 PolarHBondContact N-O 3.04Å; L263-L295 HydrophobicContact CB-CD2 4.15Å; L263-L295 HydrophobicContact CD2-CD2 3.94Å; L263-L295 HydrophobicContact CG-CD2 4.16Å; L263-L296 PolarHBondContact O-N 2.82Å
264	C	98.9	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123	177.1	-57.2	0	0	0	0	109.9	M209 I210 Y218 Y232 L296	M209-C264 WeakPolarHBondContact O-CB 3.47Å; M209-C264 PolarHBondContact O-N 3.23Å; I210-C264 HydrophobicContact CG2-CB 4.23Å; Y218-C264 HydrophobicContact CD1-CB 3.98Å; Y218-C264 HydrophobicContact CE1-CB 3.82Å; Y232-C264 PolarHBondContact OH-O 3.02Å; C264-L296 CarbonylContact C-O 3.3Å; C264-L296 WeakPolarHBondContact CA-O 3.42Å; C264-L296 HydrophobicContact CB-CB 4.35Å
265	I	98.9	Very high	98.4	Very high	2 Å²	2	25 Å²	25	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.9	174	-51.9	-59.6	0	0	0	109.3	L242 L263 N267 V284 L296 D298 F315	L242-I265 HydrophobicContact CD1-CD1 4.05Å; L242-I265 HydrophobicContact CD1-CG2 3.73Å; L242-I265 HydrophobicContact CD2-CD1 4.02Å; L263-I265 HydrophobicContact CD1-CD1 3.85Å; L263-I265 HydrophobicContact CD2-CD1 4.09Å; L263-I265 HydrophobicContact CG-CD1 3.76Å; L263-I265 HydrophobicContact CG-CG1 4.27Å; I265-N267 HydrophobicContact CG2-CB 4.44Å; I265-V284 HydrophobicContact CD1-CG1 4.04Å; I265-V284 HydrophobicContact CG1-CG1 4.2Å; I265-L296 PolarHBondContact N-O 3.06Å; I265-D298 WeakPolarHBondContact O-CB 3.37Å; I265-D298 PolarHBondContact O-N 3.07Å; I265-F315 HydrophobicContact CB-CE2 4.06Å; I265-F315 HydrophobicContact CB-CZ 3.86Å; I265-F315 HydrophobicContact CG1-CE1 4.26Å; I265-F315 HydrophobicContact CG1-CE2 4.49Å; I265-F315 HydrophobicContact CG1-CZ 3.8Å; I265-F315 HydrophobicContact CG2-CE2 3.71Å; I265-F315 HydrophobicContact CG2-CZ 3.64Å
266	I	98.9	Very high	98.5	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.051	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.9	176.7	-48.3	174.8	0	0	0	108.3	P211 Y218 G269 N270 D298	P211-I266 HydrophobicContact CG-CD1 3.84Å; P211-I266 HydrophobicContact CG-CG1 4.13Å; Y218-I266 HydrophobicContact CD2-CD1 4.04Å; Y218-I266 HydrophobicContact CE2-CD1 3.71Å; Y218-I266 HydrophobicContact CE2-CG1 3.97Å; I266-G269 WeakPolarHBondContact O-CA 2.88Å; I266-N270 HydrophobicContact CG2-CB 4.49Å; I266-D298 HydrophobicContact CB-CB 4.47Å; I266-D298 HydrophobicContact CG1-CB 4.27Å; I266-D298 HydrophobicContact CG2-CB 4.36Å
267	N	98.7	Very high	98.5	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.095	C	C	.	.	S	Bend	trans	-147.1	117.1	-175.1	-177.5	48	0	0	0	112.4	I265 Q276 D298 E299	I265-N267 HydrophobicContact CG2-CB 4.44Å; N267-Q276 HydrophobicContact CB-CG 4.25Å; N267-Q276 PolarHBondContact OD1-N 2.89Å; N267-D298 PolarHBondContact N-O 2.76Å; N267-E299 WeakPolarHBondContact O-CA 3.29Å
268	P	98.6	Very high	98.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	S	Bend	cis	-60	147.5	-6.3	-26.5	37.2	0	0	0	113.8	Q274 V275 Y301 V305 A437	P268-Q274 CarbonylContact C-O 3.55Å; P268-Q274 VanDerWaalsContact CA-O 3.3Å; P268-Q274 WeakPolarHBondContact CA-O 3.41Å; P268-V275 HydrophobicContact CB-CG2 4.03Å; P268-V275 HydrophobicContact CG-CG2 4.02Å; P268-Y301 WeakPolarHBondContact CG-O 3.4Å; P268-V305 HydrophobicContact CG-CG2 4.16Å; P268-A437 HydrophobicContact CB-CB 4.28Å
269	G	98.4	Very high	98.6	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.01	11%	0.109	C	C	.	.			trans	-78.2	151.6	-167.3	0	0	0	0	0	115.5	I266 G273 Q274 A437	I266-G269 WeakPolarHBondContact O-CA 2.88Å; G269-G273 WeakPolarHBondContact O-CA 3.47Å; G269-G273 PolarHBondContact O-N 3.17Å; G269-Q274 VanDerWaalsContact CA-OE1 3.25Å; G269-Q274 PolarHBondContact N-O 3.24Å; G269-A437 WeakPolarHBondContact O-CB 3.36Å
270	N	97.9	Very high	98.6	Very high	5 Å²	5	20 Å²	20	3%	0.027	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.9	118.7	173.1	166.5	21.6	0	0	0	107.6	Y215 I266 Y301 Y439 R493	Y215-N270 VanDerWaalsContact CD2-ND2 3.32Å; Y215-N270 WeakPolarHBondContact CD2-ND2 3.24Å; Y215-N270 PolarHBondContact N-O 3.21Å; I266-N270 HydrophobicContact CG2-CB 4.49Å; N270-Y301 HydrophobicContact CB-CE2 4.07Å; N270-Y439 HydrophobicContact CB-CD2 4.14Å; N270-Y439 HydrophobicContact CB-CE2 4.15Å; N270-Y439 VanDerWaalsContact CG-CE2 3.49Å; N270-Y439 WeakPolarHBondContact OD1-CD2 3.43Å; N270-Y439 WeakPolarHBondContact OD1-CE2 3.47Å; N270-R493 PolarHBondContact OD1-NH1 2.88Å; N270-R493 VanDerWaalsContact OD1-NH1 3.16Å
271	P	97.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91	-2.9	19.6	37.3	-40.2	0	0	0	116.1	P213 Q214 Y439 F441 F483 R493	P213-P271 HydrophobicContact CB-CG 3.67Å; Q214-P271 WeakPolarHBondContact O-CD 3.21Å; P271-Y439 WeakPolarHBondContact O-CB 3.39Å; P271-F441 HydrophobicContact CB-CB 4.37Å; P271-F441 HydrophobicContact CB-CD2 3.61Å; P271-F441 HydrophobicContact CB-CE2 4.07Å; P271-F441 HydrophobicContact CB-CG 4.12Å; P271-F441 HydrophobicContact CG-CB 4.44Å; P271-F441 HydrophobicContact CG-CD1 4.3Å; P271-F441 HydrophobicContact CG-CD2 3.57Å; P271-F441 HydrophobicContact CG-CE1 4.42Å; P271-F441 HydrophobicContact CG-CE2 3.71Å; P271-F441 HydrophobicContact CG-CG 3.86Å; P271-F441 HydrophobicContact CG-CZ 4.12Å; P271-F483 HydrophobicContact CB-CD1 4.12Å; P271-F483 HydrophobicContact CB-CE1 4.18Å; P271-F483 HydrophobicContact CB-CG 4.43Å; P271-F483 HydrophobicContact CG-CB 4.19Å; P271-F483 HydrophobicContact CG-CD1 3.96Å; P271-F483 HydrophobicContact CG-CG 3.99Å; P271-R493 HydrophobicContact CB-CB 4.12Å; P271-R493 VanDerWaalsContact CB-CD 3.48Å; P271-R493 HydrophobicContact CB-CG 3.71Å
272	T	98.4	Very high	98.6	Very high	6 Å²	6	17.6 Å²	17.6	4%	0.037	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-17.3	-159.3	40	0	0	0	0	115.9	P213 L234 W240 Q274 F441	P213-T272 HydrophobicContact CB-CG2 4.32Å; P213-T272 HydrophobicContact CG-CG2 4.01Å; L234-T272 HydrophobicContact CD1-CG2 4.28Å; W240-T272 HydrophobicContact CB-CG2 4.17Å; W240-T272 HydrophobicContact CD2-CG2 3.54Å; W240-T272 HydrophobicContact CE3-CG2 4.06Å; W240-T272 HydrophobicContact CG-CG2 3.61Å; W240-T272 HydrophobicContact CZ2-CG2 4.35Å; T272-Q274 VanDerWaalsContact CB-OE1 3.23Å; T272-Q274 PolarHBondContact O-N 2.78Å; T272-Q274 VanDerWaalsContact OG1-CD 3.24Å; T272-Q274 PolarHBondContact OG1-NE2 3.12Å; T272-Q274 PolarHBondContact OG1-OE1 2.73Å; T272-F441 HydrophobicContact CG2-CB 4.48Å; T272-F441 HydrophobicContact CG2-CD1 4.38Å
273	G	97.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.			trans	70.8	9	172.6	0	0	0	0	0	115.7	G269 Q435 G436	G269-G273 WeakPolarHBondContact O-CA 3.47Å; G269-G273 PolarHBondContact O-N 3.17Å; G273-Q435 CarbonylContact O-C 3.56Å; G273-Q435 PolarHBondContact O-N 3.29Å; G273-G436 PolarHBondContact O-N 2.83Å
274	Q	98.5	Very high	98.6	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.019	10%	0.102	C	C	.	.			trans	-80.6	158.6	177.7	85.9	-72.7	26.1	0	0	112.7	C239 W240 P268 G269 T272 Q435	C239-Q274 WeakPolarHBondContact O-CB 3.34Å; W240-Q274 HydrophobicContact CB-CB 4.1Å; W240-Q274 HydrophobicContact CB-CG 3.93Å; W240-Q274 WeakPolarHBondContact O-CG 3.27Å; W240-Q274 PolarHBondContact O-NE2 2.63Å; P268-Q274 CarbonylContact C-O 3.55Å; P268-Q274 VanDerWaalsContact CA-O 3.3Å; P268-Q274 WeakPolarHBondContact CA-O 3.41Å; G269-Q274 VanDerWaalsContact CA-OE1 3.25Å; G269-Q274 PolarHBondContact N-O 3.24Å; T272-Q274 VanDerWaalsContact CB-OE1 3.23Å; T272-Q274 PolarHBondContact O-N 2.78Å; T272-Q274 VanDerWaalsContact OG1-CD 3.24Å; T272-Q274 PolarHBondContact OG1-NE2 3.12Å; T272-Q274 PolarHBondContact OG1-OE1 2.73Å; Q274-Q435 VanDerWaalsContact CA-OE1 3.3Å
275	V	98.8	Very high	98.6	Very high	11 Å²	11	20.3 Å²	20.3	7%	0.067	10%	0.102	C	C	.	.			trans	-122.8	117.9	173.8	-178.6	0	0	0	0	108.1	P268 V305 C310 Q435	P268-V275 HydrophobicContact CB-CG2 4.03Å; P268-V275 HydrophobicContact CG-CG2 4.02Å; V275-V305 HydrophobicContact CG1-CG2 4.39Å; V275-V305 HydrophobicContact CG2-CG1 4.2Å; V275-V305 HydrophobicContact CG2-CG2 4.09Å; V275-C310 HydrophobicContact CB-CB 4.05Å; V275-C310 HydrophobicContact CG1-CB 4.18Å; V275-C310 HydrophobicContact CG2-CB 4.48Å; V275-Q435 HydrophobicContact CB-CB 4.12Å; V275-Q435 HydrophobicContact CG2-CB 3.73Å; V275-Q435 PolarHBondContact O-OE1 3.4Å
276	Q	98.6	Very high	98.6	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.033	12%	0.116	C	C	.	.			trans	-69.9	139.1	-176.9	-58.3	-62.3	-22.7	0	0	111.1	W240 L242 N267 C280 I281	W240-Q276 PolarHBondContact O-NE2 2.76Å; L242-Q276 HydrophobicContact CD1-CG 3.9Å; N267-Q276 HydrophobicContact CB-CG 4.25Å; N267-Q276 PolarHBondContact OD1-N 2.89Å; Q276-C280 PolarHBondContact OE1-SG 3.19Å; Q276-C280 VanDerWaalsContact OE1-SG 3.35Å; Q276-I281 HydrophobicContact CB-CD1 4.24Å; Q276-I281 HydrophobicContact CB-CG1 3.96Å
277	S	98.6	Very high	98.6	Very high	68 Å²	68	22.8 Å²	22.8	48%	0.476	11%	0.113	S	C	.	.			trans	-69.7	155.8	176	76.9	0	0	0	0	111.3	K279 C280 I281	S277-K279 PolarHBondContact O-N 3.45Å; S277-C280 WeakPolarHBondContact O-CB 3.32Å; S277-C280 PolarHBondContact O-N 2.99Å; S277-C280 VanDerWaalsContact OG-CB 3.32Å; S277-C280 WeakPolarHBondContact OG-CB 3.45Å; S277-C280 PolarHBondContact OG-N 3.49Å; S277-C280 VanDerWaalsContact OG-N 3.16Å; S277-I281 WeakPolarHBondContact O-CG1 3.48Å; S277-I281 PolarHBondContact O-N 3.23Å
278	R	98.6	Very high	98.6	Very high	83 Å²	83	22.8 Å²	22.8	31%	0.313	11%	0.114	S	C	.	.	H	α-helix	trans	-53.9	-43.1	174.8	-173	-173	173.1	-73.1	-6.1	111.9	I281 E282 V318 Q321	R278-I281 PolarHBondContact O-N 3.24Å; R278-E282 IonicContact CZ-OE2 3.83Å; R278-E282 IonicContact NH1-OE2 2.84Å; R278-E282 PolarHBondContact NH1-OE2 3.35Å; R278-E282 IonicContact NH2-OE2 2.95Å; R278-E282 PolarHBondContact O-N 3.16Å; R278-V318 HydrophobicContact CG-CG2 4.1Å; R278-Q321 VanDerWaalsContact NH2-OE1 3.1Å
279	K	98.6	Very high	98.6	Very high	109 Å²	109	27 Å²	27	47%	0.474	13%	0.13	S	C	.	.	H	α-helix	trans	-65.6	-43.7	-177.9	-176.9	52.3	177.4	154.4	0	111.2	S277 I281 E282 D283	S277-K279 PolarHBondContact O-N 3.45Å; K279-I281 VanDerWaalsContact C-N 3.33Å; K279-I281 PolarHBondContact O-N 3.35Å; K279-E282 IonicContact NZ-OE1 2.95Å; K279-E282 PolarHBondContact NZ-OE1 3.05Å; K279-E282 VanDerWaalsContact NZ-OE1 3.12Å; K279-E282 WeakPolarHBondContact O-CB 3.26Å; K279-E282 PolarHBondContact O-N 3.41Å; K279-D283 WeakPolarHBondContact CE-OD1 3.17Å; K279-D283 IonicContact NZ-OD1 3.63Å; K279-D283 PolarHBondContact NZ-OD1 2.93Å; K279-D283 PolarHBondContact O-N 3.19Å
280	C	98.6	Very high	98.6	Very high	15 Å²	15	30.9 Å²	30.9	10%	0.101	15%	0.147	C	C	.	.	H	α-helix	trans	-58.4	-44.2	174.6	-179.9	0	0	0	0	112.1	Q276 S277 E282 D283 V284	Q276-C280 PolarHBondContact OE1-SG 3.19Å; Q276-C280 VanDerWaalsContact OE1-SG 3.35Å; S277-C280 WeakPolarHBondContact O-CB 3.32Å; S277-C280 PolarHBondContact O-N 2.99Å; S277-C280 VanDerWaalsContact OG-CB 3.32Å; S277-C280 WeakPolarHBondContact OG-CB 3.45Å; S277-C280 PolarHBondContact OG-N 3.49Å; S277-C280 VanDerWaalsContact OG-N 3.16Å; C280-E282 PolarHBondContact O-N 2.86Å; C280-D283 PolarHBondContact O-N 3.04Å; C280-V284 VanDerWaalsContact O-CG2 3.26Å; C280-V284 WeakPolarHBondContact O-CG2 3.35Å; C280-V284 PolarHBondContact O-N 3.16Å
281	I	98.9	Very high	98.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.7	-42.9	176.3	-65.7	167.7	0	0	0	111.4	Q276 S277 R278 K279 V284 I285 H313 F315 V318	Q276-I281 HydrophobicContact CB-CD1 4.24Å; Q276-I281 HydrophobicContact CB-CG1 3.96Å; S277-I281 WeakPolarHBondContact O-CG1 3.48Å; S277-I281 PolarHBondContact O-N 3.23Å; R278-I281 PolarHBondContact O-N 3.24Å; K279-I281 VanDerWaalsContact C-N 3.33Å; K279-I281 PolarHBondContact O-N 3.35Å; I281-V284 PolarHBondContact O-N 2.96Å; I281-I285 HydrophobicContact CG2-CD1 3.84Å; I281-I285 HydrophobicContact CG2-CG1 4.49Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.17Å; I281-I285 PolarHBondContact O-N 3.29Å; I281-H313 HydrophobicContact CD1-CB 3.87Å; I281-H313 WeakPolarHBondContact CD1-O 3.32Å; I281-F315 HydrophobicContact CG1-CE2 4.21Å; I281-F315 HydrophobicContact CG1-CZ 4.24Å; I281-F315 HydrophobicContact CG2-CD1 3.91Å; I281-F315 HydrophobicContact CG2-CD2 4.23Å; I281-F315 HydrophobicContact CG2-CE1 3.86Å; I281-F315 HydrophobicContact CG2-CE2 4.17Å; I281-F315 HydrophobicContact CG2-CG 4.09Å; I281-F315 HydrophobicContact CG2-CZ 3.97Å; I281-V318 HydrophobicContact CB-CG2 4.35Å; I281-V318 HydrophobicContact CG2-CB 3.82Å; I281-V318 HydrophobicContact CG2-CG1 4.02Å; I281-V318 HydrophobicContact CG2-CG2 3.81Å
282	E	98.9	Very high	98.7	Very high	47 Å²	47	40.8 Å²	40.8	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-45.8	176.3	-173.5	-175.7	119	0	0	111.7	R278 K279 C280 V284 I285 H286 V318 M322	R278-E282 IonicContact CZ-OE2 3.83Å; R278-E282 IonicContact NH1-OE2 2.84Å; R278-E282 PolarHBondContact NH1-OE2 3.35Å; R278-E282 IonicContact NH2-OE2 2.95Å; R278-E282 PolarHBondContact O-N 3.16Å; K279-E282 IonicContact NZ-OE1 2.95Å; K279-E282 PolarHBondContact NZ-OE1 3.05Å; K279-E282 VanDerWaalsContact NZ-OE1 3.12Å; K279-E282 WeakPolarHBondContact O-CB 3.26Å; K279-E282 PolarHBondContact O-N 3.41Å; C280-E282 PolarHBondContact O-N 2.86Å; E282-V284 VanDerWaalsContact C-N 3.32Å; E282-V284 PolarHBondContact O-N 3.17Å; E282-I285 PolarHBondContact O-N 3.39Å; E282-H286 PolarHBondContact O-N 2.92Å; E282-V318 HydrophobicContact CB-CG1 3.89Å; E282-V318 HydrophobicContact CG-CG1 4.48Å; E282-M322 HydrophobicContact CB-SD 4.4Å; E282-M322 HydrophobicContact CG-CE 3.94Å; E282-M322 HydrophobicContact CG-CG 3.98Å; E282-M322 HydrophobicContact CG-SD 3.79Å
283	D	98.9	Very high	98.7	Very high	57 Å²	57	40.8 Å²	40.8	31%	0.305	19%	0.191	S	C	.	.	H	α-helix	trans	-65.9	-35.6	179.5	-60.8	-26.1	0	0	0	111.6	V244 K279 C280 F287	V244-D283 HydrophobicContact CG2-CB 3.88Å; K279-D283 WeakPolarHBondContact CE-OD1 3.17Å; K279-D283 IonicContact NZ-OD1 3.63Å; K279-D283 PolarHBondContact NZ-OD1 2.93Å; K279-D283 PolarHBondContact O-N 3.19Å; C280-D283 PolarHBondContact O-N 3.04Å; D283-F287 WeakPolarHBondContact O-CB 3.25Å; D283-F287 PolarHBondContact O-N 2.95Å
284	V	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68.9	-40.4	174.3	170.7	0	0	0	0	111.9	L242 V244 L247 L263 I265 C280 I281 E282 H286 F287 A288 F315	L242-V284 HydrophobicContact CB-CG2 4.13Å; L242-V284 HydrophobicContact CD1-CG2 4Å; V244-V284 HydrophobicContact CG2-CG2 4.42Å; L247-V284 HydrophobicContact CD1-CG2 4.1Å; L263-V284 HydrophobicContact CD2-CG1 3.97Å; I265-V284 HydrophobicContact CD1-CG1 4.04Å; I265-V284 HydrophobicContact CG1-CG1 4.2Å; C280-V284 VanDerWaalsContact O-CG2 3.26Å; C280-V284 WeakPolarHBondContact O-CG2 3.35Å; C280-V284 PolarHBondContact O-N 3.16Å; I281-V284 PolarHBondContact O-N 2.96Å; E282-V284 VanDerWaalsContact C-N 3.32Å; E282-V284 PolarHBondContact O-N 3.17Å; V284-H286 VanDerWaalsContact C-N 3.34Å; V284-F287 PolarHBondContact O-N 2.85Å; V284-A288 WeakPolarHBondContact O-CB 3.47Å; V284-A288 PolarHBondContact O-N 2.83Å; V284-F315 HydrophobicContact CG1-CE1 4.03Å; V284-F315 HydrophobicContact CG1-CZ 4.37Å
285	I	98.9	Very high	98.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-43.8	175.4	-70.6	162.5	0	0	0	110.2	I281 E282 A288 W289 L295 F315 V318 L319 M322 Y326 V330	I281-I285 HydrophobicContact CG2-CD1 3.84Å; I281-I285 HydrophobicContact CG2-CG1 4.49Å; I281-I285 VanDerWaalsContact O-CG1 3.32Å; I281-I285 WeakPolarHBondContact O-CG1 3.17Å; I281-I285 PolarHBondContact O-N 3.29Å; E282-I285 PolarHBondContact O-N 3.39Å; I285-A288 PolarHBondContact O-N 2.77Å; I285-W289 WeakPolarHBondContact O-CB 3.46Å; I285-W289 PolarHBondContact O-N 3.28Å; I285-L295 HydrophobicContact CG1-CD1 4.08Å; I285-F315 HydrophobicContact CD1-CD1 4.09Å; I285-F315 HydrophobicContact CG1-CD1 3.85Å; I285-F315 HydrophobicContact CG1-CE1 4.14Å; I285-V318 HydrophobicContact CD1-CB 3.86Å; I285-V318 HydrophobicContact CD1-CG1 3.8Å; I285-L319 HydrophobicContact CD1-CB 4.03Å; I285-L319 HydrophobicContact CG2-CD1 3.59Å; I285-M322 HydrophobicContact CB-CE 4.14Å; I285-M322 HydrophobicContact CB-SD 3.72Å; I285-M322 HydrophobicContact CD1-SD 4.02Å; I285-M322 HydrophobicContact CG1-SD 4.5Å; I285-M322 HydrophobicContact CG2-CE 3.82Å; I285-M322 HydrophobicContact CG2-SD 3.47Å; I285-M322 WeakPolarHBondContact CG2-SD 3.49Å; I285-Y326 HydrophobicContact CG2-CD1 4.41Å; I285-V330 HydrophobicContact CG2-CG2 4.44Å
286	H	98.9	Very high	98.7	Very high	64 Å²	64	40.4 Å²	40.4	30%	0.296	19%	0.188	S	C	.	.	H	α-helix	trans	-60.3	-46.2	175.9	-179.7	72	0	0	0	111.3	E282 V284 A288 W289 E290 M322 Y326	E282-H286 PolarHBondContact O-N 2.92Å; V284-H286 VanDerWaalsContact C-N 3.34Å; H286-A288 PolarHBondContact O-N 2.91Å; H286-W289 WeakPolarHBondContact O-CB 3.36Å; H286-W289 PolarHBondContact O-N 3.11Å; H286-E290 IonicContact NE2-OE1 3.98Å; H286-E290 PolarHBondContact NE2-OE1 3.43Å; H286-E290 WeakPolarHBondContact O-CG 3.32Å; H286-E290 PolarHBondContact O-N 3.2Å; H286-M322 HydrophobicContact CB-CE 4.14Å; H286-Y326 HydrophobicContact CB-CE1 4.31Å; H286-Y326 PolarHBondContact CE1-OH 3.02Å; H286-Y326 AromaticContact ND1-CE1 3.54Å; H286-Y326 AromaticContact ND1-CZ 3.64Å; H286-Y326 PolarHBondContact ND1-OH 3.39Å
287	F	98.9	Very high	98.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-44.8	174.3	170.4	-101.2	0	0	0	113.1	V244 L247 R248 V251 L263 D283 V284 W289 E290 E291 L293	V244-F287 HydrophobicContact CG1-CB 3.95Å; V244-F287 HydrophobicContact CG1-CD2 3.97Å; V244-F287 HydrophobicContact CG1-CG 4.14Å; L247-F287 HydrophobicContact CB-CD1 4.15Å; L247-F287 HydrophobicContact CB-CE1 3.63Å; L247-F287 HydrophobicContact CB-CE2 4.25Å; L247-F287 HydrophobicContact CB-CZ 3.67Å; L247-F287 HydrophobicContact CD1-CD1 3.99Å; L247-F287 HydrophobicContact CD1-CE1 4.16Å; L247-F287 HydrophobicContact CG-CE1 4.43Å; R248-F287 HydrophobicContact CB-CE2 3.98Å; R248-F287 HydrophobicContact CG-CE2 4.34Å; V251-F287 HydrophobicContact CB-CZ 4.44Å; V251-F287 HydrophobicContact CG2-CE1 4.35Å; V251-F287 HydrophobicContact CG2-CZ 3.68Å; L263-F287 HydrophobicContact CD2-CD1 4.1Å; L263-F287 HydrophobicContact CD2-CE1 4.18Å; D283-F287 WeakPolarHBondContact O-CB 3.25Å; D283-F287 PolarHBondContact O-N 2.95Å; V284-F287 PolarHBondContact O-N 2.85Å; F287-W289 VanDerWaalsContact C-N 3.31Å; F287-W289 PolarHBondContact O-N 2.98Å; F287-E290 PolarHBondContact O-N 3Å; F287-E291 HydrophobicContact CD2-CG 4.05Å; F287-E291 HydrophobicContact CE2-CG 3.58Å; F287-E291 HydrophobicContact CZ-CG 3.87Å; F287-E291 PolarHBondContact O-N 2.78Å; F287-L293 HydrophobicContact CD1-CD1 4.22Å; F287-L293 HydrophobicContact CE1-CD1 3.57Å; F287-L293 HydrophobicContact CZ-CD1 4.21Å
288	A	98.9	Very high	98.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-35.6	178.4	0	0	0	0	0	112.3	V284 I285 H286 K292 L293 L295	V284-A288 WeakPolarHBondContact O-CB 3.47Å; V284-A288 PolarHBondContact O-N 2.83Å; I285-A288 PolarHBondContact O-N 2.77Å; H286-A288 PolarHBondContact O-N 2.91Å; A288-K292 WeakPolarHBondContact O-CA 3.2Å; A288-K292 PolarHBondContact O-N 3.08Å; A288-L293 HydrophobicContact CB-CB 4.16Å; A288-L293 PolarHBondContact O-N 2.9Å; A288-L295 HydrophobicContact CB-CD1 4.01Å; A288-L295 HydrophobicContact CB-CD2 3.6Å; A288-L295 HydrophobicContact CB-CG 3.76Å
289	W	98.8	Very high	98.8	Very high	90 Å²	90	33.3 Å²	33.3	34%	0.341	15%	0.151	S	C	.	.	H	α-helix	trans	-63.7	-47.5	171.9	176.6	86.9	0	0	0	111.9	I285 H286 F287 E291 K292 E325 Y326 V330	I285-W289 WeakPolarHBondContact O-CB 3.46Å; I285-W289 PolarHBondContact O-N 3.28Å; H286-W289 WeakPolarHBondContact O-CB 3.36Å; H286-W289 PolarHBondContact O-N 3.11Å; F287-W289 VanDerWaalsContact C-N 3.31Å; F287-W289 PolarHBondContact O-N 2.98Å; W289-E291 PolarHBondContact O-N 3.16Å; W289-K292 PolarHBondContact O-N 2.88Å; W289-E325 HydrophobicContact CZ2-CG 4.26Å; W289-E325 PolarHBondContact NE1-O 3.46Å; W289-Y326 HydrophobicContact CB-CD1 3.92Å; W289-Y326 HydrophobicContact CB-CE1 4.07Å; W289-Y326 HydrophobicContact CD2-CD1 4.31Å; W289-Y326 AromaticContact CD2-CE1 3.95Å; W289-Y326 HydrophobicContact CD2-CE1 3.95Å; W289-Y326 HydrophobicContact CE3-CE1 4.15Å; W289-Y326 AromaticContact CG-CD1 3.84Å; W289-Y326 HydrophobicContact CG-CD1 3.84Å; W289-Y326 AromaticContact CG-CE1 3.92Å; W289-Y326 HydrophobicContact CG-CE1 3.92Å; W289-V330 HydrophobicContact CB-CG2 3.72Å; W289-V330 HydrophobicContact CG-CG2 4.21Å
290	E	98.6	Very high	98.8	Very high	81 Å²	81	28.7 Å²	28.7	38%	0.379	13%	0.132	S	C	.	.	H	α-helix	trans	-59.1	-45.9	177.6	-71	-169.9	143.1	0	0	112.1	R248 H286 F287	R248-E290 IonicContact CZ-OE2 2.77Å; R248-E290 IonicContact NH1-OE2 3.1Å; R248-E290 PolarHBondContact NH1-OE2 2.87Å; R248-E290 IonicContact NH2-OE2 3.41Å; R248-E290 PolarHBondContact NH2-OE2 3.3Å; H286-E290 IonicContact NE2-OE1 3.98Å; H286-E290 PolarHBondContact NE2-OE1 3.43Å; H286-E290 WeakPolarHBondContact O-CG 3.32Å; H286-E290 PolarHBondContact O-N 3.2Å; F287-E290 PolarHBondContact O-N 3Å
291	E	98.5	Very high	98.7	Very high	39 Å²	39	28 Å²	28	18%	0.182	13%	0.127	C	C	.	.	H	α-helix	trans	-90.4	0.6	-174.4	-64.1	-70.8	177.3	0	0	113.4	R248 K255 F287 W289 L293	R248-E291 IonicContact NH1-OE1 3.85Å; K255-E291 IonicContact NZ-OE2 2.7Å; K255-E291 PolarHBondContact NZ-OE2 3.26Å; F287-E291 HydrophobicContact CD2-CG 4.05Å; F287-E291 HydrophobicContact CE2-CG 3.58Å; F287-E291 HydrophobicContact CZ-CG 3.87Å; F287-E291 PolarHBondContact O-N 2.78Å; W289-E291 PolarHBondContact O-N 3.16Å; E291-L293 HydrophobicContact CB-CD1 3.88Å; E291-L293 HydrophobicContact CB-CG 3.81Å
292	K	98.3	Very high	98.7	Very high	175 Å²	175	28.4 Å²	28.4	76%	0.761	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	49	-178.8	-53.8	176.2	-176	178.8	0	112.6	A288 W289	A288-K292 WeakPolarHBondContact O-CA 3.2Å; A288-K292 PolarHBondContact O-N 3.08Å; W289-K292 PolarHBondContact O-N 2.88Å
293	L	98.8	Very high	98.5	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-97.8	135.1	-179.4	-59.4	172.6	0	0	0	110.8	M209 V251 P260 L263 F287 A288 E291	M209-L293 HydrophobicContact SD-CD1 3.88Å; V251-L293 HydrophobicContact CG2-CD1 4.37Å; P260-L293 HydrophobicContact CB-CD2 4.37Å; P260-L293 WeakPolarHBondContact O-CD2 3.48Å; L263-L293 HydrophobicContact CB-CB 4.31Å; L263-L293 HydrophobicContact CB-CD1 4.17Å; L263-L293 HydrophobicContact CD2-CD1 4.4Å; F287-L293 HydrophobicContact CD1-CD1 4.22Å; F287-L293 HydrophobicContact CE1-CD1 3.57Å; F287-L293 HydrophobicContact CZ-CD1 4.21Å; A288-L293 HydrophobicContact CB-CB 4.16Å; A288-L293 PolarHBondContact O-N 2.9Å; E291-L293 HydrophobicContact CB-CD1 3.88Å; E291-L293 HydrophobicContact CB-CG 3.81Å
294	F	98.8	Very high	98.4	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.022	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	123.9	167.9	-166.2	-66.2	0	0	0	109.3	I193 L197 K261 V262 L263 L296 E331 A333 V355 L358	I193-F294 HydrophobicContact CG2-CE1 3.93Å; I193-F294 HydrophobicContact CG2-CZ 4.22Å; L197-F294 HydrophobicContact CD1-CB 4.2Å; L197-F294 HydrophobicContact CD1-CD1 3.87Å; L197-F294 HydrophobicContact CD1-CD2 4.1Å; L197-F294 HydrophobicContact CD1-CE1 4.29Å; L197-F294 HydrophobicContact CD1-CE2 4.48Å; L197-F294 HydrophobicContact CD1-CG 3.78Å; L197-F294 HydrophobicContact CD2-CB 4.45Å; L197-F294 HydrophobicContact CD2-CD2 3.7Å; L197-F294 HydrophobicContact CD2-CE2 4.17Å; L197-F294 HydrophobicContact CD2-CG 4.12Å; K261-F294 PolarHBondContact O-N 3.19Å; V262-F294 WeakPolarHBondContact CA-O 3.37Å; L263-F294 PolarHBondContact N-O 3.04Å; F294-L296 HydrophobicContact CD1-CD1 3.39Å; F294-L296 HydrophobicContact CE1-CD1 3.66Å; F294-E331 HydrophobicContact CD2-CB 3.42Å; F294-E331 VanDerWaalsContact CD2-CB 3.42Å; F294-E331 HydrophobicContact CD2-CG 4.21Å; F294-E331 HydrophobicContact CE2-CB 3.63Å; F294-E331 HydrophobicContact CE2-CG 4.41Å; F294-E331 HydrophobicContact CG-CB 4.01Å; F294-E331 HydrophobicContact CZ-CB 4.35Å; F294-A333 HydrophobicContact CE1-CB 3.74Å; F294-A333 HydrophobicContact CZ-CB 4.19Å; F294-V355 HydrophobicContact CZ-CG1 4.25Å; F294-L358 HydrophobicContact CE2-CD1 3.81Å; F294-L358 HydrophobicContact CZ-CD1 4.41Å
295	L	98.9	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.4	179.2	-71.8	175.5	0	0	0	111.9	L263 I285 A288 F315 V330 E331 L332 A333	L263-L295 HydrophobicContact CB-CD2 4.15Å; L263-L295 HydrophobicContact CD2-CD2 3.94Å; L263-L295 HydrophobicContact CG-CD2 4.16Å; I285-L295 HydrophobicContact CG1-CD1 4.08Å; A288-L295 HydrophobicContact CB-CD1 4.01Å; A288-L295 HydrophobicContact CB-CD2 3.6Å; A288-L295 HydrophobicContact CB-CG 3.76Å; L295-F315 HydrophobicContact CD1-CD1 4.19Å; L295-V330 HydrophobicContact CD1-CG1 3.71Å; L295-V330 HydrophobicContact CG-CG1 4.27Å; L295-E331 PolarHBondContact N-O 3.2Å; L295-L332 HydrophobicContact CB-CB 4.46Å; L295-L332 HydrophobicContact CB-CD1 3.58Å; L295-L332 HydrophobicContact CD1-CD1 4.45Å; L295-L332 WeakPolarHBondContact O-CA 3.38Å; L295-A333 PolarHBondContact O-N 3.43Å
296	L	98.9	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	105.3	165.3	-88.4	60	0	0	0	107.9	I193 L194 L197 V262 L263 C264 I265 F294 A333 F335	I193-L296 HydrophobicContact CG2-CD1 3.82Å; I193-L296 HydrophobicContact CG2-CD2 4.42Å; I193-L296 HydrophobicContact CG2-CG 4.26Å; L194-L296 HydrophobicContact CD2-CD2 3.68Å; L194-L296 HydrophobicContact CG-CD2 3.88Å; L197-L296 HydrophobicContact CD1-CD1 4.3Å; V262-L296 HydrophobicContact CG1-CD1 3.56Å; V262-L296 HydrophobicContact CG1-CD2 4.24Å; V262-L296 HydrophobicContact CG1-CG 4.41Å; L263-L296 PolarHBondContact O-N 2.82Å; C264-L296 CarbonylContact C-O 3.3Å; C264-L296 WeakPolarHBondContact CA-O 3.42Å; C264-L296 HydrophobicContact CB-CB 4.35Å; I265-L296 PolarHBondContact N-O 3.06Å; F294-L296 HydrophobicContact CD1-CD1 3.39Å; F294-L296 HydrophobicContact CE1-CD1 3.66Å; L296-A333 WeakPolarHBondContact CA-O 3.14Å; L296-F335 HydrophobicContact CB-CE2 3.85Å; L296-F335 HydrophobicContact CD2-CE2 4.29Å; L296-F335 HydrophobicContact CD2-CZ 4.37Å; L296-F335 HydrophobicContact CG-CE2 3.7Å; L296-F335 HydrophobicContact CG-CZ 3.96Å
297	A	98.9	Very high	97.4	Very high	1 Å²	1	27 Å²	27	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100.4	177.8	0	0	0	0	0	110.7	E299 F315 L332 A333 S334 F335	A297-E299 HydrophobicContact CB-CG 4.2Å; A297-E299 PolarHBondContact O-N 2.91Å; A297-F315 HydrophobicContact CB-CB 3.8Å; A297-F315 HydrophobicContact CB-CD2 3.65Å; A297-F315 HydrophobicContact CB-CE2 4.44Å; A297-F315 HydrophobicContact CB-CG 3.75Å; A297-L332 HydrophobicContact CB-CD1 3.83Å; A297-A333 PolarHBondContact N-O 2.9Å; A297-S334 CarbonylContact O-C 3.41Å; A297-S334 WeakPolarHBondContact O-CA 3.4Å; A297-F335 WeakPolarHBondContact O-CD2 3.35Å; A297-F335 PolarHBondContact O-N 3.03Å
298	D	98.9	Very high	97	Very high	5 Å²	5	33 Å²	33	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	96.5	176.4	-169.6	-14.2	0	0	0	110.6	Y218 I265 I266 N267 V300	Y218-D298 WeakPolarHBondContact OH-CB 3.3Å; Y218-D298 VanDerWaalsContact OH-CG 3.29Å; Y218-D298 PolarHBondContact OH-OD2 3.3Å; I265-D298 WeakPolarHBondContact O-CB 3.37Å; I265-D298 PolarHBondContact O-N 3.07Å; I266-D298 HydrophobicContact CB-CB 4.47Å; I266-D298 HydrophobicContact CG1-CB 4.27Å; I266-D298 HydrophobicContact CG2-CB 4.36Å; N267-D298 PolarHBondContact N-O 2.76Å; D298-V300 VanDerWaalsContact OD1-CG1 3.29Å; D298-V300 WeakPolarHBondContact OD1-CG1 3.45Å; D298-V300 WeakPolarHBondContact OD1-CG2 3.39Å
299	E	98.8	Very high	96.6	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.014	21%	0.205	C	C	.	.			trans	-110.4	29.4	-171.4	-60.5	177	161.1	0	0	111.5	R170 N267 A297 Y301 Q302 F312 S314 F315 F335	R170-E299 IonicContact NH1-OE2 2.91Å; N267-E299 WeakPolarHBondContact O-CA 3.29Å; A297-E299 HydrophobicContact CB-CG 4.2Å; A297-E299 PolarHBondContact O-N 2.91Å; E299-Y301 PolarHBondContact O-N 3.23Å; E299-Y301 VanDerWaalsContact O-N 3.13Å; E299-Q302 WeakPolarHBondContact O-CB 3.32Å; E299-Q302 PolarHBondContact O-N 3.14Å; E299-Q302 PolarHBondContact O-NE2 3.25Å; E299-Q302 VanDerWaalsContact O-NE2 3.12Å; E299-F312 HydrophobicContact CB-CE2 4.01Å; E299-F312 HydrophobicContact CB-CZ 3.92Å; E299-F312 HydrophobicContact CG-CE2 4Å; E299-F312 HydrophobicContact CG-CZ 3.95Å; E299-S314 VanDerWaalsContact OE1-CA 3.28Å; E299-S314 WeakPolarHBondContact OE1-CA 3.41Å; E299-F315 PolarHBondContact OE1-N 2.9Å; E299-F335 CarbonylContact C-O 3.58Å; E299-F335 PolarHBondContact N-O 3.17Å; E299-F335 VanDerWaalsContact N-O 3.11Å
300	V	98.3	Very high	96.5	Very high	12 Å²	12	37.4 Å²	37.4	7%	0.073	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.2	-176.3	-65.2	0	0	0	0	113.9	A186 D298 K340	A186-V300 HydrophobicContact CB-CG1 3.48Å; A186-V300 VanDerWaalsContact CB-CG1 3.48Å; D298-V300 VanDerWaalsContact OD1-CG1 3.29Å; D298-V300 WeakPolarHBondContact OD1-CG1 3.45Å; D298-V300 WeakPolarHBondContact OD1-CG2 3.39Å; V300-K340 HydrophobicContact CB-CG 4.22Å; V300-K340 HydrophobicContact CG2-CG 4.23Å; V300-K340 WeakPolarHBondContact O-CB 3.42Å
301	Y	97.9	Very high	96.4	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	16	-179.7	-73.5	-66.7	0	0	0	113.5	P268 N270 E299 D303 N304 K340 A437 M438 Y439	P268-Y301 WeakPolarHBondContact CG-O 3.4Å; N270-Y301 HydrophobicContact CB-CE2 4.07Å; E299-Y301 PolarHBondContact O-N 3.23Å; E299-Y301 VanDerWaalsContact O-N 3.13Å; Y301-D303 PolarHBondContact O-N 3.08Å; Y301-D303 VanDerWaalsContact O-N 3.09Å; Y301-N304 WeakPolarHBondContact O-CA 3.39Å; Y301-N304 WeakPolarHBondContact O-CB 3.33Å; Y301-N304 PolarHBondContact O-N 3.42Å; Y301-K340 HydrophobicContact CD1-CB 3.92Å; Y301-K340 HydrophobicContact CD1-CG 4.32Å; Y301-K340 HydrophobicContact CE1-CB 3.77Å; Y301-K340 HydrophobicContact CE1-CD 3.72Å; Y301-K340 HydrophobicContact CE1-CG 3.83Å; Y301-K340 WeakPolarHBondContact OH-CD 3.45Å; Y301-K340 WeakPolarHBondContact OH-CE 3.37Å; Y301-K340 PolarHBondContact OH-NZ 3.12Å; Y301-A437 HydrophobicContact CD1-CB 3.92Å; Y301-A437 HydrophobicContact CD2-CB 3.68Å; Y301-A437 HydrophobicContact CE1-CB 4.31Å; Y301-A437 HydrophobicContact CE2-CB 4.11Å; Y301-A437 HydrophobicContact CG-CB 3.58Å; Y301-M438 HydrophobicContact CD1-CG 4.18Å; Y301-M438 HydrophobicContact CE1-CB 4.24Å; Y301-M438 HydrophobicContact CE1-CG 3.54Å; Y301-Y439 HydrophobicContact CE2-CE2 4.18Å; Y301-Y439 AromaticContact CZ-CE2 3.82Å; Y301-Y439 WeakPolarHBondContact OH-CE2 3.45Å; Y301-Y439 PolarHBondContact OH-OH 3Å; Y301-Y439 VanDerWaalsContact OH-OH 3.14Å
302	Q	97.9	Very high	96.4	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.037	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-31.8	-171.8	66.7	-172.2	-90.1	0	0	115.8	E299 N304 F312 H336	E299-Q302 WeakPolarHBondContact O-CB 3.32Å; E299-Q302 PolarHBondContact O-N 3.14Å; E299-Q302 PolarHBondContact O-NE2 3.25Å; E299-Q302 VanDerWaalsContact O-NE2 3.12Å; Q302-N304 VanDerWaalsContact C-N 3.32Å; Q302-F312 HydrophobicContact CB-CD1 3.78Å; Q302-F312 HydrophobicContact CB-CD2 3.66Å; Q302-F312 HydrophobicContact CB-CE1 3.64Å; Q302-F312 HydrophobicContact CB-CE2 3.52Å; Q302-F312 HydrophobicContact CB-CG 3.78Å; Q302-F312 HydrophobicContact CB-CZ 3.5Å; Q302-F312 VanDerWaalsContact CB-CZ 3.5Å; Q302-F312 HydrophobicContact CG-CE1 4.5Å; Q302-F312 WeakPolarHBondContact O-CB 3.39Å; Q302-H336 PolarHBondContact NE2-CD2 3.45Å; Q302-H336 PolarHBondContact NE2-CE1 2.71Å; Q302-H336 PolarHBondContact NE2-ND1 2.92Å; Q302-H336 VanDerWaalsContact NE2-ND1 3.19Å
303	D	95.3	Very high	96.5	Very high	47 Å²	47	34 Å²	34	25%	0.251	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-8.6	177.8	-62.9	-62.3	0	0	0	113.5	Y301 V305 Y342 L409	Y301-D303 PolarHBondContact O-N 3.08Å; Y301-D303 VanDerWaalsContact O-N 3.09Å; D303-V305 PolarHBondContact O-N 3.2Å; D303-Y342 HydrophobicContact CB-CD1 3.91Å; D303-Y342 HydrophobicContact CB-CE1 3.89Å; D303-L409 VanDerWaalsContact O-CD2 3.29Å; D303-L409 WeakPolarHBondContact O-CD2 3.39Å
304	N	95.9	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.176	C	C	.	.			trans	-103.3	76.1	-177.3	-73.8	58	0	0	0	109.7	Y301 Q302 Y306 G341 L412 G436 A437 M438	Y301-N304 WeakPolarHBondContact O-CA 3.39Å; Y301-N304 WeakPolarHBondContact O-CB 3.33Å; Y301-N304 PolarHBondContact O-N 3.42Å; Q302-N304 VanDerWaalsContact C-N 3.32Å; N304-Y306 HydrophobicContact CB-CE1 4.33Å; N304-Y306 PolarHBondContact ND2-OH 3.22Å; N304-G341 VanDerWaalsContact CG-CA 3.47Å; N304-G341 WeakPolarHBondContact OD1-CA 3.32Å; N304-L412 WeakPolarHBondContact ND2-CD1 3.39Å; N304-G436 CarbonylContact O-C 3.6Å; N304-G436 WeakPolarHBondContact O-CA 3.27Å; N304-A437 PolarHBondContact O-N 3.16Å; N304-M438 PolarHBondContact ND2-SD 2.92Å
305	V	96.8	Very high	96.5	Very high	37 Å²	37	33.6 Å²	33.6	22%	0.224	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-123.7	123.2	172.3	-179.8	0	0	0	0	107.4	P268 V275 D303 C310 F312	P268-V305 HydrophobicContact CG-CG2 4.16Å; V275-V305 HydrophobicContact CG1-CG2 4.39Å; V275-V305 HydrophobicContact CG2-CG1 4.2Å; V275-V305 HydrophobicContact CG2-CG2 4.09Å; D303-V305 PolarHBondContact O-N 3.2Å; V305-C310 HydrophobicContact CG1-CB 3.9Å; V305-F312 HydrophobicContact CG2-CB 4.05Å
306	Y	91.1	Very high	96.5	Very high	28 Å²	28	33.6 Å²	33.6	11%	0.11	18%	0.175	C	C	.	.			trans	-111.4	-40.1	-171	-48.9	-49.6	0	0	0	112.4	N304 L412 A413 A416 Q435 A437 M438 I496	N304-Y306 HydrophobicContact CB-CE1 4.33Å; N304-Y306 PolarHBondContact ND2-OH 3.22Å; Y306-L412 HydrophobicContact CD1-CB 4.36Å; Y306-L412 HydrophobicContact CE1-CB 3.5Å; Y306-L412 VanDerWaalsContact CE1-CB 3.5Å; Y306-L412 HydrophobicContact CE1-CD1 4.45Å; Y306-A413 HydrophobicContact CD1-CB 3.89Å; Y306-A413 HydrophobicContact CG-CB 4.08Å; Y306-A416 HydrophobicContact CD2-CB 3.8Å; Y306-A416 HydrophobicContact CE2-CB 4.25Å; Y306-A416 HydrophobicContact CG-CB 4.44Å; Y306-Q435 PolarHBondContact N-O 2.86Å; Y306-A437 WeakPolarHBondContact CE2-O 3.48Å; Y306-A437 VanDerWaalsContact CZ-O 3.22Å; Y306-A437 PolarHBondContact OH-O 2.56Å; Y306-M438 PolarHBondContact OH-SD 3.43Å; Y306-I496 HydrophobicContact CE2-CD1 3.96Å
307	S	89.3	Confident	96.5	Very high	27 Å²	27	35.6 Å²	35.6	19%	0.189	18%	0.184	C	C	.	.			trans	-65.4	131	-176.3	-73.3	0	0	0	0	110.3	D309 C310 Q435	S307-D309 PolarHBondContact O-N 3.15Å; S307-C310 PolarHBondContact O-N 2.98Å; S307-Q435 PolarHBondContact N-O 3.07Å; S307-Q435 WeakPolarHBondContact OG-CA 3.22Å
308	P	89.9	Confident	96.5	Very high	124 Å²	124	35.6 Å²	35.6	81%	0.805	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26	-179.6	27.3	-34.9	0	0	0	112.4	C310	P308-C310 VanDerWaalsContact C-N 3.28Å; P308-C310 PolarHBondContact O-N 3.27Å
309	D	90.6	Very high	96.5	Very high	155 Å²	155	35.3 Å²	35.3	83%	0.829	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-5.2	179.3	-51.4	-55.2	0	0	0	113.2	S307	S307-D309 PolarHBondContact O-N 3.15Å
310	C	96.1	Very high	96.5	Very high	30 Å²	30	38.9 Å²	38.9	20%	0.203	20%	0.196	C	C	.	.			trans	-114.7	149.2	-176.1	-68.4	0	0	0	0	110.9	V275 V305 S307 P308	V275-C310 HydrophobicContact CB-CB 4.05Å; V275-C310 HydrophobicContact CG1-CB 4.18Å; V275-C310 HydrophobicContact CG2-CB 4.48Å; V305-C310 HydrophobicContact CG1-CB 3.9Å; S307-C310 PolarHBondContact O-N 2.98Å; P308-C310 VanDerWaalsContact C-N 3.28Å; P308-C310 PolarHBondContact O-N 3.27Å
311	R	97.6	Very high	96.5	Very high	168 Å²	168	42.5 Å²	42.5	63%	0.634	21%	0.212	S	C	*	.			trans	-145	148.8	169.2	64.9	-178.6	-67.7	175.4	7.1	109.2	H313	R311-H313 VanDerWaalsContact CD-CE1 3.43Å; R311-H313 WeakPolarHBondContact CD-CE1 3.47Å; R311-H313 WeakPolarHBondContact CD-NE2 3.3Å; R311-H313 WeakPolarHBondContact CG-NE2 3.22Å; R311-H313 PolarHBondContact O-CD2 2.9Å; R311-H313 PolarHBondContact O-N 2.96Å
312	F	98.5	Very high	96.5	Very high	33 Å²	33	44.2 Å²	44.2	15%	0.145	22%	0.221	C	C	.	.			trans	-67.9	133.1	172	177.1	-104.2	0	0	0	110.5	E299 Q302 V305	E299-F312 HydrophobicContact CB-CE2 4.01Å; E299-F312 HydrophobicContact CB-CZ 3.92Å; E299-F312 HydrophobicContact CG-CE2 4Å; E299-F312 HydrophobicContact CG-CZ 3.95Å; Q302-F312 HydrophobicContact CB-CD1 3.78Å; Q302-F312 HydrophobicContact CB-CD2 3.66Å; Q302-F312 HydrophobicContact CB-CE1 3.64Å; Q302-F312 HydrophobicContact CB-CE2 3.52Å; Q302-F312 HydrophobicContact CB-CG 3.78Å; Q302-F312 HydrophobicContact CB-CZ 3.5Å; Q302-F312 VanDerWaalsContact CB-CZ 3.5Å; Q302-F312 HydrophobicContact CG-CE1 4.5Å; Q302-F312 WeakPolarHBondContact O-CB 3.39Å; V305-F312 HydrophobicContact CG2-CB 4.05Å
313	H	98.7	Very high	96.5	Very high	22 Å²	22	44.8 Å²	44.8	10%	0.102	23%	0.229	C	C	.	.			trans	-126.7	119.7	168.5	-65.7	-75.9	0	0	0	107	I281 R311 V318	I281-H313 HydrophobicContact CD1-CB 3.87Å; I281-H313 WeakPolarHBondContact CD1-O 3.32Å; R311-H313 VanDerWaalsContact CD-CE1 3.43Å; R311-H313 WeakPolarHBondContact CD-CE1 3.47Å; R311-H313 WeakPolarHBondContact CD-NE2 3.3Å; R311-H313 WeakPolarHBondContact CG-NE2 3.22Å; R311-H313 PolarHBondContact O-CD2 2.9Å; R311-H313 PolarHBondContact O-N 2.96Å; H313-V318 HydrophobicContact CB-CG2 4.16Å
314	S	98.9	Very high	96.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	25%	0.247	C	C	.	.			trans	-71.5	146.6	175.1	63.4	0	0	0	0	110.6	R170 D171 E299 K316 K317 V318	R170-S314 PolarHBondContact NH2-OG 3.43Å; D171-S314 PolarHBondContact OD1-OG 3.46Å; D171-S314 PolarHBondContact OD2-OG 2.99Å; E299-S314 VanDerWaalsContact OE1-CA 3.28Å; E299-S314 WeakPolarHBondContact OE1-CA 3.41Å; S314-K316 PolarHBondContact O-N 2.82Å; S314-K317 PolarHBondContact O-N 3.1Å; S314-K317 WeakPolarHBondContact OG-CB 3.49Å; S314-K317 PolarHBondContact OG-N 2.87Å; S314-V318 PolarHBondContact O-N 3.46Å; S314-V318 VanDerWaalsContact O-N 3.15Å
315	F	98.9	Very high	96.8	Very high	1 Å²	1	52.3 Å²	52.3	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-56.8	-39	170.6	-89.6	-98	0	0	0	110.9	I265 I281 V284 I285 L295 A297 E299 V318 L319 L332	I265-F315 HydrophobicContact CB-CE2 4.06Å; I265-F315 HydrophobicContact CB-CZ 3.86Å; I265-F315 HydrophobicContact CG1-CE1 4.26Å; I265-F315 HydrophobicContact CG1-CE2 4.49Å; I265-F315 HydrophobicContact CG1-CZ 3.8Å; I265-F315 HydrophobicContact CG2-CE2 3.71Å; I265-F315 HydrophobicContact CG2-CZ 3.64Å; I281-F315 HydrophobicContact CG1-CE2 4.21Å; I281-F315 HydrophobicContact CG1-CZ 4.24Å; I281-F315 HydrophobicContact CG2-CD1 3.91Å; I281-F315 HydrophobicContact CG2-CD2 4.23Å; I281-F315 HydrophobicContact CG2-CE1 3.86Å; I281-F315 HydrophobicContact CG2-CE2 4.17Å; I281-F315 HydrophobicContact CG2-CG 4.09Å; I281-F315 HydrophobicContact CG2-CZ 3.97Å; V284-F315 HydrophobicContact CG1-CE1 4.03Å; V284-F315 HydrophobicContact CG1-CZ 4.37Å; I285-F315 HydrophobicContact CD1-CD1 4.09Å; I285-F315 HydrophobicContact CG1-CD1 3.85Å; I285-F315 HydrophobicContact CG1-CE1 4.14Å; L295-F315 HydrophobicContact CD1-CD1 4.19Å; A297-F315 HydrophobicContact CB-CB 3.8Å; A297-F315 HydrophobicContact CB-CD2 3.65Å; A297-F315 HydrophobicContact CB-CE2 4.44Å; A297-F315 HydrophobicContact CB-CG 3.75Å; E299-F315 PolarHBondContact OE1-N 2.9Å; F315-V318 PolarHBondContact O-N 2.92Å; F315-L319 WeakPolarHBondContact O-CB 3.44Å; F315-L319 PolarHBondContact O-N 3.15Å; F315-L332 HydrophobicContact CB-CD1 4.02Å; F315-L332 HydrophobicContact CB-CD2 3.97Å
316	K	98.8	Very high	96.9	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-51.8	174.2	175.2	162.8	-177.2	-64.9	0	112.3	I167 V173 P174 S314 V318 L319 Y320 L332 E354	I167-K316 HydrophobicContact CG2-CD 3.77Å; V173-K316 PolarHBondContact O-NZ 2.77Å; P174-K316 PolarHBondContact O-NZ 2.98Å; S314-K316 PolarHBondContact O-N 2.82Å; K316-V318 VanDerWaalsContact C-N 3.33Å; K316-V318 PolarHBondContact O-N 3.07Å; K316-L319 PolarHBondContact O-N 3.45Å; K316-Y320 HydrophobicContact CD-CE2 4.41Å; K316-Y320 HydrophobicContact CG-CD2 3.88Å; K316-Y320 HydrophobicContact CG-CE2 3.95Å; K316-Y320 VanDerWaalsContact O-CD2 3.29Å; K316-Y320 WeakPolarHBondContact O-CD2 3.23Å; K316-Y320 PolarHBondContact O-N 3.47Å; K316-L332 HydrophobicContact CB-CD2 4.37Å; K316-E354 VanDerWaalsContact CD-CD 3.47Å; K316-E354 WeakPolarHBondContact CD-OE1 3.22Å; K316-E354 WeakPolarHBondContact CD-OE2 3.37Å; K316-E354 WeakPolarHBondContact CE-OE1 3.29Å; K316-E354 WeakPolarHBondContact CE-OE2 3.47Å
317	K	98.8	Very high	97.2	Very high	43 Å²	43	51.5 Å²	51.5	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-49.1	-179.6	179.8	-176.2	176.1	71	0	110.9	D171 S314 Q321	D171-K317 HydrophobicContact CB-CB 3.92Å; D171-K317 HydrophobicContact CB-CG 4.29Å; D171-K317 PolarHBondContact O-NZ 3.03Å; S314-K317 PolarHBondContact O-N 3.1Å; S314-K317 WeakPolarHBondContact OG-CB 3.49Å; S314-K317 PolarHBondContact OG-N 2.87Å; K317-Q321 WeakPolarHBondContact O-CB 3.1Å; K317-Q321 WeakPolarHBondContact O-CG 3.49Å; K317-Q321 PolarHBondContact O-N 2.97Å
318	V	98.9	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-45.2	-176.9	-177.2	0	0	0	0	110.5	R278 I281 E282 I285 H313 S314 F315 K316 Y320 Q321 M322	R278-V318 HydrophobicContact CG-CG2 4.1Å; I281-V318 HydrophobicContact CB-CG2 4.35Å; I281-V318 HydrophobicContact CG2-CB 3.82Å; I281-V318 HydrophobicContact CG2-CG1 4.02Å; I281-V318 HydrophobicContact CG2-CG2 3.81Å; E282-V318 HydrophobicContact CB-CG1 3.89Å; E282-V318 HydrophobicContact CG-CG1 4.48Å; I285-V318 HydrophobicContact CD1-CB 3.86Å; I285-V318 HydrophobicContact CD1-CG1 3.8Å; H313-V318 HydrophobicContact CB-CG2 4.16Å; S314-V318 PolarHBondContact O-N 3.46Å; S314-V318 VanDerWaalsContact O-N 3.15Å; F315-V318 PolarHBondContact O-N 2.92Å; K316-V318 VanDerWaalsContact C-N 3.33Å; K316-V318 PolarHBondContact O-N 3.07Å; V318-Y320 PolarHBondContact O-N 3.11Å; V318-Q321 WeakPolarHBondContact O-CB 3.41Å; V318-Q321 PolarHBondContact O-N 3.32Å; V318-Q321 VanDerWaalsContact O-N 3.09Å; V318-M322 HydrophobicContact CG1-SD 4.23Å; V318-M322 WeakPolarHBondContact O-CG 3.42Å; V318-M322 PolarHBondContact O-N 3.48Å
319	L	98.9	Very high	98	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-48.3	177.7	175.8	63.2	0	0	0	112.2	I285 F315 K316 Q321 M322 V330 L332 I356	I285-L319 HydrophobicContact CD1-CB 4.03Å; I285-L319 HydrophobicContact CG2-CD1 3.59Å; F315-L319 WeakPolarHBondContact O-CB 3.44Å; F315-L319 PolarHBondContact O-N 3.15Å; K316-L319 PolarHBondContact O-N 3.45Å; L319-Q321 VanDerWaalsContact C-N 3.32Å; L319-Q321 PolarHBondContact O-N 2.94Å; L319-M322 PolarHBondContact O-N 3.24Å; L319-V330 HydrophobicContact CD1-CB 3.81Å; L319-V330 HydrophobicContact CD1-CG1 4.39Å; L319-V330 HydrophobicContact CD1-CG2 4.01Å; L319-V330 HydrophobicContact CD2-CB 4.34Å; L319-L332 HydrophobicContact CD2-CB 4.41Å; L319-L332 HydrophobicContact CD2-CD2 4.14Å; L319-I356 HydrophobicContact CD2-CD1 3.68Å
320	Y	98.8	Very high	98.3	Very high	77 Å²	77	45.6 Å²	45.6	30%	0.302	23%	0.232	S	C	.	.	H	α-helix	trans	-66.8	-33.3	177.8	-85.9	-101.9	0	0	0	112.8	V173 K316 V318 M322 G323 I356	V173-Y320 HydrophobicContact CG1-CD1 3.38Å; V173-Y320 HydrophobicContact CG1-CD2 4.02Å; V173-Y320 HydrophobicContact CG1-CE1 3.92Å; V173-Y320 HydrophobicContact CG1-CE2 4.47Å; V173-Y320 HydrophobicContact CG1-CG 3.42Å; V173-Y320 VanDerWaalsContact CG1-CG 3.42Å; K316-Y320 HydrophobicContact CD-CE2 4.41Å; K316-Y320 HydrophobicContact CG-CD2 3.88Å; K316-Y320 HydrophobicContact CG-CE2 3.95Å; K316-Y320 VanDerWaalsContact O-CD2 3.29Å; K316-Y320 WeakPolarHBondContact O-CD2 3.23Å; K316-Y320 PolarHBondContact O-N 3.47Å; V318-Y320 PolarHBondContact O-N 3.11Å; Y320-M322 VanDerWaalsContact C-N 3.28Å; Y320-M322 PolarHBondContact O-N 3.41Å; Y320-G323 PolarHBondContact O-N 3.31Å; Y320-I356 HydrophobicContact CE2-CD1 3.8Å
321	Q	98.7	Very high	98.5	Very high	89 Å²	89	47.2 Å²	47.2	42%	0.416	24%	0.236	S	C	.	.	H	α-helix	trans	-69.9	-22.8	175.4	-75.1	-178.5	-15.8	0	0	113.5	R278 K317 V318 L319 G323	R278-Q321 VanDerWaalsContact NH2-OE1 3.1Å; K317-Q321 WeakPolarHBondContact O-CB 3.1Å; K317-Q321 WeakPolarHBondContact O-CG 3.49Å; K317-Q321 PolarHBondContact O-N 2.97Å; V318-Q321 WeakPolarHBondContact O-CB 3.41Å; V318-Q321 PolarHBondContact O-N 3.32Å; V318-Q321 VanDerWaalsContact O-N 3.09Å; L319-Q321 VanDerWaalsContact C-N 3.32Å; L319-Q321 PolarHBondContact O-N 2.94Å; Q321-G323 PolarHBondContact O-N 3.13Å
322	M	98.8	Very high	98.5	Very high	37 Å²	37	39.2 Å²	39.2	18%	0.182	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.9	174.6	-67.5	169.2	73.2	0	0	113	E282 I285 H286 V318 L319 Y320 Y326	E282-M322 HydrophobicContact CB-SD 4.4Å; E282-M322 HydrophobicContact CG-CE 3.94Å; E282-M322 HydrophobicContact CG-CG 3.98Å; E282-M322 HydrophobicContact CG-SD 3.79Å; I285-M322 HydrophobicContact CB-CE 4.14Å; I285-M322 HydrophobicContact CB-SD 3.72Å; I285-M322 HydrophobicContact CD1-SD 4.02Å; I285-M322 HydrophobicContact CG1-SD 4.5Å; I285-M322 HydrophobicContact CG2-CE 3.82Å; I285-M322 HydrophobicContact CG2-SD 3.47Å; I285-M322 WeakPolarHBondContact CG2-SD 3.49Å; H286-M322 HydrophobicContact CB-CE 4.14Å; V318-M322 HydrophobicContact CG1-SD 4.23Å; V318-M322 WeakPolarHBondContact O-CG 3.42Å; V318-M322 PolarHBondContact O-N 3.48Å; L319-M322 PolarHBondContact O-N 3.24Å; Y320-M322 VanDerWaalsContact C-N 3.28Å; Y320-M322 PolarHBondContact O-N 3.41Å; M322-Y326 HydrophobicContact CB-CD2 3.69Å; M322-Y326 HydrophobicContact CB-CE2 4.41Å; M322-Y326 HydrophobicContact CB-CG 3.98Å; M322-Y326 HydrophobicContact CE-CD1 3.71Å; M322-Y326 HydrophobicContact CE-CD2 4.11Å; M322-Y326 HydrophobicContact CE-CE1 3.76Å; M322-Y326 HydrophobicContact CE-CE2 4.17Å; M322-Y326 HydrophobicContact CE-CG 3.88Å; M322-Y326 WeakPolarHBondContact O-CD2 3.35Å
323	G	98.5	Very high	98.5	Very high	20 Å²	20	37.7 Å²	37.7	21%	0.206	20%	0.199	C	C	.	.			trans	91.3	173.5	175.5	0	0	0	0	0	114.2	Y320 Q321 E325 Y326 S327	Y320-G323 PolarHBondContact O-N 3.31Å; Q321-G323 PolarHBondContact O-N 3.13Å; G323-E325 VanDerWaalsContact C-N 3.27Å; G323-E325 PolarHBondContact O-N 2.71Å; G323-Y326 PolarHBondContact O-N 3.09Å; G323-S327 PolarHBondContact O-N 3.48Å; G323-S327 PolarHBondContact O-OG 3.04Å
324	P	98	Very high	98.6	Very high	96 Å²	96	36.8 Å²	36.8	62%	0.623	20%	0.196	S	C	*	.	H	α-helix	trans	-64.6	-25.9	-168.5	25.1	-34.6	0	0	0	114.3	Y326 S327 S328	P324-Y326 PolarHBondContact O-N 3.26Å; P324-S327 WeakPolarHBondContact CA-OG 3.33Å; P324-S328 VanDerWaalsContact O-CB 3.24Å; P324-S328 WeakPolarHBondContact O-CB 3.3Å; P324-S328 PolarHBondContact O-N 3.28Å; P324-S328 PolarHBondContact O-OG 3.4Å
325	E	98.1	Very high	98.6	Very high	110 Å²	110	36.8 Å²	36.8	51%	0.514	20%	0.196	S	C	.	.	H	α-helix	trans	-54.1	-38	172.7	-178.5	176.1	-161.7	0	0	111.7	W289 G323 N329	W289-E325 HydrophobicContact CZ2-CG 4.26Å; W289-E325 PolarHBondContact NE1-O 3.46Å; G323-E325 VanDerWaalsContact C-N 3.27Å; G323-E325 PolarHBondContact O-N 2.71Å; E325-N329 PolarHBondContact O-ND2 3.02Å
326	Y	98.7	Very high	98.5	Very high	32 Å²	32	37 Å²	37	13%	0.125	20%	0.196	C	C	.	.	H	α-helix	trans	-94.9	-52.2	176	-60	-88.6	0	0	0	111.1	I285 H286 W289 M322 G323 P324 S328 N329 V330	I285-Y326 HydrophobicContact CG2-CD1 4.41Å; H286-Y326 HydrophobicContact CB-CE1 4.31Å; H286-Y326 PolarHBondContact CE1-OH 3.02Å; H286-Y326 AromaticContact ND1-CE1 3.54Å; H286-Y326 AromaticContact ND1-CZ 3.64Å; H286-Y326 PolarHBondContact ND1-OH 3.39Å; W289-Y326 HydrophobicContact CB-CD1 3.92Å; W289-Y326 HydrophobicContact CB-CE1 4.07Å; W289-Y326 HydrophobicContact CD2-CD1 4.31Å; W289-Y326 AromaticContact CD2-CE1 3.95Å; W289-Y326 HydrophobicContact CD2-CE1 3.95Å; W289-Y326 HydrophobicContact CE3-CE1 4.15Å; W289-Y326 AromaticContact CG-CD1 3.84Å; W289-Y326 HydrophobicContact CG-CD1 3.84Å; W289-Y326 AromaticContact CG-CE1 3.92Å; W289-Y326 HydrophobicContact CG-CE1 3.92Å; M322-Y326 HydrophobicContact CB-CD2 3.69Å; M322-Y326 HydrophobicContact CB-CE2 4.41Å; M322-Y326 HydrophobicContact CB-CG 3.98Å; M322-Y326 HydrophobicContact CE-CD1 3.71Å; M322-Y326 HydrophobicContact CE-CD2 4.11Å; M322-Y326 HydrophobicContact CE-CE1 3.76Å; M322-Y326 HydrophobicContact CE-CE2 4.17Å; M322-Y326 HydrophobicContact CE-CG 3.88Å; M322-Y326 WeakPolarHBondContact O-CD2 3.35Å; G323-Y326 PolarHBondContact O-N 3.09Å; P324-Y326 PolarHBondContact O-N 3.26Å; Y326-S328 PolarHBondContact O-N 3.4Å; Y326-N329 PolarHBondContact O-N 3.41Å; Y326-V330 PolarHBondContact O-N 3.06Å
327	S	98.3	Very high	98.5	Very high	15 Å²	15	37.2 Å²	37.2	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-70.1	-15.7	-168.6	72.2	0	0	0	0	115	G323 P324 N357	G323-S327 PolarHBondContact O-N 3.48Å; G323-S327 PolarHBondContact O-OG 3.04Å; P324-S327 WeakPolarHBondContact CA-OG 3.33Å; S327-N357 PolarHBondContact O-ND2 3.26Å; S327-N357 PolarHBondContact O-OD1 3.34Å
328	S	97.5	Very high	98.4	Very high	75 Å²	75	35.2 Å²	35.2	52%	0.524	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.1	171.5	-55.7	0	0	0	0	113.8	P324 Y326	P324-S328 VanDerWaalsContact O-CB 3.24Å; P324-S328 WeakPolarHBondContact O-CB 3.3Å; P324-S328 PolarHBondContact O-N 3.28Å; P324-S328 PolarHBondContact O-OG 3.4Å; Y326-S328 PolarHBondContact O-N 3.4Å
329	N	97.4	Very high	98.2	Very high	102 Å²	102	35.9 Å²	35.9	55%	0.545	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-40.2	-171.8	-67	-78.8	0	0	0	114.1	E325 Y326 E331	E325-N329 PolarHBondContact O-ND2 3.02Å; Y326-N329 PolarHBondContact O-N 3.41Å; N329-E331 PolarHBondContact O-N 2.99Å
330	V	98.5	Very high	97.9	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.036	20%	0.203	C	C	.	.			trans	-73.9	120.3	-176.5	179.7	0	0	0	0	110.1	I285 W289 L295 L319 Y326 N357	I285-V330 HydrophobicContact CG2-CG2 4.44Å; W289-V330 HydrophobicContact CB-CG2 3.72Å; W289-V330 HydrophobicContact CG-CG2 4.21Å; L295-V330 HydrophobicContact CD1-CG1 3.71Å; L295-V330 HydrophobicContact CG-CG1 4.27Å; L319-V330 HydrophobicContact CD1-CB 3.81Å; L319-V330 HydrophobicContact CD1-CG1 4.39Å; L319-V330 HydrophobicContact CD1-CG2 4.01Å; L319-V330 HydrophobicContact CD2-CB 4.34Å; Y326-V330 PolarHBondContact O-N 3.06Å; V330-N357 PolarHBondContact O-ND2 3.15Å
331	E	98.6	Very high	97.4	Very high	63 Å²	63	34.4 Å²	34.4	29%	0.294	19%	0.19	S	C	.	.			trans	-74.8	128.4	173.5	-59.9	-179	100.5	0	0	110.3	F294 L295 N329	F294-E331 HydrophobicContact CD2-CB 3.42Å; F294-E331 VanDerWaalsContact CD2-CB 3.42Å; F294-E331 HydrophobicContact CD2-CG 4.21Å; F294-E331 HydrophobicContact CE2-CB 3.63Å; F294-E331 HydrophobicContact CE2-CG 4.41Å; F294-E331 HydrophobicContact CG-CB 4.01Å; F294-E331 HydrophobicContact CZ-CB 4.35Å; L295-E331 PolarHBondContact N-O 3.2Å; N329-E331 PolarHBondContact O-N 2.99Å
332	L	98.9	Very high	96.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	131.4	-176	172.3	67.9	0	0	0	110.6	L295 A297 F315 K316 L319 V355 I356	L295-L332 HydrophobicContact CB-CB 4.46Å; L295-L332 HydrophobicContact CB-CD1 3.58Å; L295-L332 HydrophobicContact CD1-CD1 4.45Å; L295-L332 WeakPolarHBondContact O-CA 3.38Å; A297-L332 HydrophobicContact CB-CD1 3.83Å; F315-L332 HydrophobicContact CB-CD1 4.02Å; F315-L332 HydrophobicContact CB-CD2 3.97Å; K316-L332 HydrophobicContact CB-CD2 4.37Å; L319-L332 HydrophobicContact CD2-CB 4.41Å; L319-L332 HydrophobicContact CD2-CD2 4.14Å; L332-V355 WeakPolarHBondContact O-CA 3.35Å; L332-I356 HydrophobicContact CB-CD1 4.09Å; L332-I356 HydrophobicContact CB-CG1 3.78Å; L332-I356 HydrophobicContact CD2-CD1 3.98Å; L332-I356 HydrophobicContact CD2-CG1 4.44Å; L332-I356 HydrophobicContact CG-CG1 4.45Å; L332-I356 PolarHBondContact N-O 3.34Å; L332-I356 PolarHBondContact O-N 3.06Å
333	A	98.9	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.4	162.4	0	0	0	0	0	109.8	I193 F294 L295 L296 A297 F335 E354 V355	I193-A333 HydrophobicContact CD1-CB 4.5Å; I193-A333 HydrophobicContact CG1-CB 4.16Å; I193-A333 HydrophobicContact CG2-CB 4.37Å; F294-A333 HydrophobicContact CE1-CB 3.74Å; F294-A333 HydrophobicContact CZ-CB 4.19Å; L295-A333 PolarHBondContact O-N 3.43Å; L296-A333 WeakPolarHBondContact CA-O 3.14Å; A297-A333 PolarHBondContact N-O 2.9Å; A333-F335 HydrophobicContact CB-CE1 4.39Å; A333-F335 HydrophobicContact CB-CE2 4.1Å; A333-F335 HydrophobicContact CB-CZ 3.73Å; A333-F335 WeakPolarHBondContact O-CE2 3.26Å; A333-E354 CarbonylContact C-O 3.57Å; A333-E354 WeakPolarHBondContact CA-O 3.47Å; A333-V355 HydrophobicContact CB-CG2 4.17Å
334	S	98.9	Very high	95	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.6	175	-73.5	0	0	0	0	110.5	A297 M353 E354	A297-S334 CarbonylContact O-C 3.41Å; A297-S334 WeakPolarHBondContact O-CA 3.4Å; S334-M353 CarbonylContact O-C 3.58Å; S334-M353 WeakPolarHBondContact O-CA 3.4Å; S334-E354 PolarHBondContact N-O 3.05Å; S334-E354 PolarHBondContact O-N 2.82Å
335	F	98.9	Very high	94.5	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.7	-175.4	-53.1	-83.6	0	0	0	112.5	A186 G189 I190 I193 L296 A297 E299 A333 M353	A186-F335 HydrophobicContact CB-CB 4.2Å; G189-F335 VanDerWaalsContact C-CE1 3.43Å; I190-F335 HydrophobicContact CG1-CD1 3.96Å; I190-F335 HydrophobicContact CG1-CD2 3.96Å; I190-F335 HydrophobicContact CG1-CE1 4Å; I190-F335 HydrophobicContact CG1-CE2 3.99Å; I190-F335 HydrophobicContact CG1-CG 3.96Å; I190-F335 HydrophobicContact CG1-CZ 4.02Å; I193-F335 HydrophobicContact CB-CZ 4.32Å; I193-F335 HydrophobicContact CG1-CE1 4.14Å; I193-F335 HydrophobicContact CG1-CZ 4.06Å; L296-F335 HydrophobicContact CB-CE2 3.85Å; L296-F335 HydrophobicContact CD2-CE2 4.29Å; L296-F335 HydrophobicContact CD2-CZ 4.37Å; L296-F335 HydrophobicContact CG-CE2 3.7Å; L296-F335 HydrophobicContact CG-CZ 3.96Å; A297-F335 WeakPolarHBondContact O-CD2 3.35Å; A297-F335 PolarHBondContact O-N 3.03Å; E299-F335 CarbonylContact C-O 3.58Å; E299-F335 PolarHBondContact N-O 3.17Å; E299-F335 VanDerWaalsContact N-O 3.11Å; A333-F335 HydrophobicContact CB-CE1 4.39Å; A333-F335 HydrophobicContact CB-CE2 4.1Å; A333-F335 HydrophobicContact CB-CZ 3.73Å; A333-F335 WeakPolarHBondContact O-CE2 3.26Å; F335-M353 HydrophobicContact CD1-CB 3.63Å; F335-M353 HydrophobicContact CE1-CB 3.77Å; F335-M353 HydrophobicContact CE1-SD 3.99Å
336	H	98.6	Very high	93.8	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.019	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	163.9	170.3	-163.2	27.6	0	0	0	111.9	Q302 G351 Y352	Q302-H336 PolarHBondContact NE2-CD2 3.45Å; Q302-H336 PolarHBondContact NE2-CE1 2.71Å; Q302-H336 PolarHBondContact NE2-ND1 2.92Å; Q302-H336 VanDerWaalsContact NE2-ND1 3.19Å; H336-G351 VanDerWaalsContact O-CA 3.29Å; H336-G351 WeakPolarHBondContact O-CA 3.46Å; H336-Y352 HydrophobicContact CB-CD1 4.06Å; H336-Y352 HydrophobicContact CB-CD2 4.48Å; H336-Y352 HydrophobicContact CB-CE1 3.56Å; H336-Y352 HydrophobicContact CB-CE2 3.99Å; H336-Y352 HydrophobicContact CB-CG 4.49Å; H336-Y352 VanDerWaalsContact CB-CZ 3.49Å; H336-Y352 AromaticContact CD2-CE1 3.66Å; H336-Y352 AromaticContact CD2-CZ 3.99Å; H336-Y352 PolarHBondContact N-O 3.1Å; H336-Y352 PolarHBondContact O-N 2.95Å; H336-Y352 VanDerWaalsContact O-N 3.1Å
337	S	97.9	Very high	93.3	Very high	7 Å²	7	21.5 Å²	21.5	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.5	-169.2	-176.2	0	0	0	0	111.8	S339	S337-S339 PolarHBondContact O-N 3.3Å; S337-S339 WeakPolarHBondContact OG-CB 3.47Å; S337-S339 PolarHBondContact OG-N 2.79Å; S337-S339 VanDerWaalsContact OG-N 3.17Å; S337-S339 PolarHBondContact OG-OG 3.41Å
338	T	96.3	Very high	93	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.4	171.1	58.8	0	0	0	0	112.8	K340 E345 Y348 G350 A383 M384 V387	T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 2.95Å; T338-E345 PolarHBondContact O-N 3.46Å; T338-Y348 PolarHBondContact OG1-O 2.88Å; T338-G350 PolarHBondContact N-O 3.34Å; T338-G350 PolarHBondContact OG1-N 3.48Å; T338-G350 VanDerWaalsContact OG1-N 3.1Å; T338-G350 PolarHBondContact OG1-O 3.31Å; T338-G350 VanDerWaalsContact OG1-O 3.05Å; T338-A383 HydrophobicContact CG2-CB 4.01Å; T338-M384 HydrophobicContact CG2-CB 3.93Å; T338-M384 HydrophobicContact CG2-CE 3.78Å; T338-M384 HydrophobicContact CG2-SD 4.24Å; T338-V387 HydrophobicContact CG2-CG2 4.14Å
339	S	95	Very high	92.9	Very high	14 Å²	14	26.2 Å²	26.2	10%	0.098	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.6	-167.7	-53.6	0	0	0	0	114.5	S337 C346	S337-S339 PolarHBondContact O-N 3.3Å; S337-S339 WeakPolarHBondContact OG-CB 3.47Å; S337-S339 PolarHBondContact OG-N 2.79Å; S337-S339 VanDerWaalsContact OG-N 3.17Å; S337-S339 PolarHBondContact OG-OG 3.41Å; S339-C346 PolarHBondContact O-SG 2.97Å
340	K	93.3	Very high	92.9	Very high	42 Å²	42	21.4 Å²	21.4	18%	0.183	12%	0.118	C	C	.	.	S	Bend	trans	-120	166	-168.8	-57.1	-55.1	-179.9	60.1	0	111	V300 Y301 T338 G344	V300-K340 HydrophobicContact CB-CG 4.22Å; V300-K340 HydrophobicContact CG2-CG 4.23Å; V300-K340 WeakPolarHBondContact O-CB 3.42Å; Y301-K340 HydrophobicContact CD1-CB 3.92Å; Y301-K340 HydrophobicContact CD1-CG 4.32Å; Y301-K340 HydrophobicContact CE1-CB 3.77Å; Y301-K340 HydrophobicContact CE1-CD 3.72Å; Y301-K340 HydrophobicContact CE1-CG 3.83Å; Y301-K340 WeakPolarHBondContact OH-CD 3.45Å; Y301-K340 WeakPolarHBondContact OH-CE 3.37Å; Y301-K340 PolarHBondContact OH-NZ 3.12Å; T338-K340 VanDerWaalsContact C-N 3.29Å; T338-K340 PolarHBondContact O-N 2.95Å; K340-G344 PolarHBondContact O-N 3.12Å
341	G	87.4	Confident	92.9	Very high	4 Å²	4	21.2 Å²	21.2	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-156.5	177.2	0	0	0	0	0	117.2	Q103 N304 M343 G344	Q103-G341 PolarHBondContact NE2-O 2.75Å; Q103-G341 VanDerWaalsContact NE2-O 3.16Å; N304-G341 VanDerWaalsContact CG-CA 3.47Å; N304-G341 WeakPolarHBondContact OD1-CA 3.32Å; G341-M343 PolarHBondContact O-N 3.04Å; G341-G344 PolarHBondContact O-N 3.13Å
342	Y	86.3	Confident	92.9	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.8	-174.4	73.4	-94	0	0	0	112.4	Q103 I106 D303 F401 K405 L409	Q103-Y342 PolarHBondContact NE2-O 2.9Å; I106-Y342 HydrophobicContact CD1-CD2 4.23Å; I106-Y342 HydrophobicContact CG1-CD2 4.36Å; I106-Y342 WeakPolarHBondContact CG1-O 3.35Å; D303-Y342 HydrophobicContact CB-CD1 3.91Å; D303-Y342 HydrophobicContact CB-CE1 3.89Å; Y342-F401 HydrophobicContact CE2-CE2 4.31Å; Y342-F401 AromaticContact CE2-CZ 3.77Å; Y342-F401 HydrophobicContact CE2-CZ 3.77Å; Y342-K405 HydrophobicContact CD1-CD 4.37Å; Y342-K405 HydrophobicContact CD1-CG 4.06Å; Y342-K405 HydrophobicContact CD2-CB 3.96Å; Y342-K405 HydrophobicContact CD2-CD 4.36Å; Y342-K405 HydrophobicContact CD2-CG 3.78Å; Y342-K405 HydrophobicContact CE1-CD 3.87Å; Y342-K405 HydrophobicContact CE1-CG 4.06Å; Y342-K405 HydrophobicContact CE2-CB 3.99Å; Y342-K405 HydrophobicContact CE2-CD 3.85Å; Y342-K405 HydrophobicContact CE2-CG 3.76Å; Y342-K405 HydrophobicContact CG-CG 3.92Å; Y342-L409 HydrophobicContact CD1-CD1 4.32Å; Y342-L409 HydrophobicContact CD1-CD2 4.39Å; Y342-L409 HydrophobicContact CD1-CG 4.44Å
343	M	81.4	Confident	92.9	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-42.7	173.7	-62.4	-68	-137	0	0	112	I106 L109 G341 E345 V387 F401	I106-M343 HydrophobicContact CB-SD 4.24Å; I106-M343 HydrophobicContact CG1-SD 3.88Å; I106-M343 HydrophobicContact CG2-SD 4.25Å; L109-M343 HydrophobicContact CD1-SD 4.49Å; G341-M343 PolarHBondContact O-N 3.04Å; M343-E345 VanDerWaalsContact C-N 3.31Å; M343-E345 PolarHBondContact O-N 3.2Å; M343-E345 VanDerWaalsContact O-N 3.08Å; M343-V387 HydrophobicContact CB-CG2 4.04Å; M343-V387 HydrophobicContact CE-CG2 4.33Å; M343-V387 HydrophobicContact CG-CG1 4.47Å; M343-V387 HydrophobicContact CG-CG2 4Å; M343-F401 HydrophobicContact CE-CE2 3.62Å; M343-F401 HydrophobicContact CE-CZ 3.65Å; M343-F401 HydrophobicContact SD-CE2 4.02Å; M343-F401 HydrophobicContact SD-CZ 4.3Å
344	G	77.7	Confident	92.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.			trans	59.5	23.3	161.3	0	0	0	0	0	118.2	K340 G341 C346	K340-G344 PolarHBondContact O-N 3.12Å; G341-G344 PolarHBondContact O-N 3.13Å; G344-C346 PolarHBondContact O-N 3Å
345	E	86.8	Confident	92.9	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.014	10%	0.104	C	C	.	.			trans	-86.2	66.3	-172.2	-68.1	-66.3	170.3	0	0	113	H99 L109 R110 T338 M343 G347	H99-E345 IonicContact CE1-OE1 2.73Å; H99-E345 IonicContact CE1-OE2 3.55Å; H99-E345 PolarHBondContact CE1-OE2 3.47Å; L109-E345 HydrophobicContact CD1-CG 3.5Å; L109-E345 HydrophobicContact CD2-CG 3.74Å; L109-E345 WeakPolarHBondContact CD2-OE1 3.29Å; L109-E345 HydrophobicContact CG-CG 4.27Å; R110-E345 IonicContact NH1-OE2 3.67Å; T338-E345 PolarHBondContact O-N 3.46Å; M343-E345 VanDerWaalsContact C-N 3.31Å; M343-E345 PolarHBondContact O-N 3.2Å; M343-E345 VanDerWaalsContact O-N 3.08Å; E345-G347 PolarHBondContact O-N 2.81Å; E345-G347 VanDerWaalsContact O-N 3.16Å
346	C	85.1	Confident	92.8	Very high	29 Å²	29	18.6 Å²	18.6	20%	0.196	11%	0.105	C	C	.	.	S	Bend	trans	-56.9	-30.2	-178.7	-66.7	0	0	0	0	114.6	S339 G344	S339-C346 PolarHBondContact O-SG 2.97Å; G344-C346 PolarHBondContact O-N 3Å
347	G	88.4	Confident	92.7	Very high	72 Å²	72	20.8 Å²	20.8	74%	0.742	12%	0.117	S	C	*	.	S	Bend	trans	-80.2	-46.2	-176	0	0	0	0	0	113.7	E345 R349	E345-G347 PolarHBondContact O-N 2.81Å; E345-G347 VanDerWaalsContact O-N 3.16Å; G347-R349 PolarHBondContact O-N 3.1Å
348	Y	91.4	Very high	92.5	Very high	73 Å²	73	21.6 Å²	21.6	29%	0.286	12%	0.12	S	C	.	.	S	Bend	trans	-76.3	81.3	172.3	-63.4	-62.4	0	0	0	109.2	M113 T338 G350	M113-Y348 HydrophobicContact CE-CD1 3.58Å; M113-Y348 HydrophobicContact CE-CD2 4.33Å; M113-Y348 HydrophobicContact CE-CE1 3.7Å; M113-Y348 HydrophobicContact CE-CE2 4.4Å; M113-Y348 HydrophobicContact CE-CG 3.92Å; T338-Y348 PolarHBondContact OG1-O 2.88Å; Y348-G350 PolarHBondContact O-N 3.03Å
349	R	95.3	Very high	92	Very high	116 Å²	116	27.9 Å²	27.9	44%	0.438	15%	0.149	S	C	.	.			trans	-71.7	86.5	-164.2	-164.2	172.6	176.7	97.2	0.7	112.2	T184 G347	T184-R349 HydrophobicContact CG2-CB 4.18Å; T184-R349 HydrophobicContact CG2-CG 3.76Å; T184-R349 PolarHBondContact O-NE 3.34Å; T184-R349 VanDerWaalsContact O-NE 3.07Å; G347-R349 PolarHBondContact O-N 3.1Å
350	G	97.2	Very high	91.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	18%	0.179	C	C	.	.			trans	-116.7	150	178	0	0	0	0	0	112.3	G185 T338 Y348 G380	G185-G350 WeakPolarHBondContact CA-O 3.35Å; T338-G350 PolarHBondContact N-O 3.34Å; T338-G350 PolarHBondContact OG1-N 3.48Å; T338-G350 VanDerWaalsContact OG1-N 3.1Å; T338-G350 PolarHBondContact OG1-O 3.31Å; T338-G350 VanDerWaalsContact OG1-O 3.05Å; Y348-G350 PolarHBondContact O-N 3.03Å; G350-G380 WeakPolarHBondContact CA-O 3.5Å
351	G	98.3	Very high	91.5	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	166.8	177.9	0	0	0	0	0	110	L182 T183 H336	L182-G351 WeakPolarHBondContact CA-O 3.4Å; T183-G351 PolarHBondContact N-O 2.87Å; T183-G351 PolarHBondContact O-N 2.82Å; T183-G351 WeakPolarHBondContact OG1-CA 3.49Å; H336-G351 VanDerWaalsContact O-CA 3.29Å; H336-G351 WeakPolarHBondContact O-CA 3.46Å
352	Y	98.8	Very high	91.6	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	160.2	161.6	71.9	-103.3	0	0	0	110.2	V163 I167 Y181 H336 M384 V388	V163-Y352 HydrophobicContact CB-CD1 4.5Å; V163-Y352 HydrophobicContact CG1-CD1 3.67Å; V163-Y352 HydrophobicContact CG1-CD2 3.78Å; V163-Y352 HydrophobicContact CG1-CE1 3.65Å; V163-Y352 HydrophobicContact CG1-CE2 3.8Å; V163-Y352 HydrophobicContact CG1-CG 3.75Å; V163-Y352 HydrophobicContact CG2-CD1 3.91Å; V163-Y352 HydrophobicContact CG2-CE1 4.31Å; V163-Y352 HydrophobicContact CG2-CG 4.39Å; I167-Y352 HydrophobicContact CD1-CE2 3.86Å; Y181-Y352 CarbonylContact O-C 3.6Å; Y181-Y352 WeakPolarHBondContact O-CA 3.34Å; H336-Y352 HydrophobicContact CB-CD1 4.06Å; H336-Y352 HydrophobicContact CB-CD2 4.48Å; H336-Y352 HydrophobicContact CB-CE1 3.56Å; H336-Y352 HydrophobicContact CB-CE2 3.99Å; H336-Y352 HydrophobicContact CB-CG 4.49Å; H336-Y352 VanDerWaalsContact CB-CZ 3.49Å; H336-Y352 AromaticContact CD2-CE1 3.66Å; H336-Y352 AromaticContact CD2-CZ 3.99Å; H336-Y352 PolarHBondContact N-O 3.1Å; H336-Y352 PolarHBondContact O-N 2.95Å; H336-Y352 VanDerWaalsContact O-N 3.1Å; Y352-M384 HydrophobicContact CD1-CE 3.85Å; Y352-M384 HydrophobicContact CD1-CG 4Å; Y352-M384 HydrophobicContact CD1-SD 3.64Å; Y352-M384 HydrophobicContact CE1-CE 4.46Å; Y352-M384 HydrophobicContact CE1-SD 4.01Å; Y352-V388 HydrophobicContact CE1-CG1 3.99Å
353	M	98.7	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137.4	159.4	61.3	-171.2	-178.7	0	0	109.8	Y181 T183 T192 I193 S334 F335 V355 L366	Y181-M353 HydrophobicContact CD2-CE 4.16Å; Y181-M353 HydrophobicContact CD2-CG 4.3Å; Y181-M353 HydrophobicContact CG-CE 3.9Å; Y181-M353 HydrophobicContact CG-CG 4.46Å; Y181-M353 PolarHBondContact N-O 3.35Å; Y181-M353 PolarHBondContact O-N 2.51Å; T183-M353 HydrophobicContact CG2-CG 4.36Å; T192-M353 HydrophobicContact CG2-CE 4.17Å; I193-M353 HydrophobicContact CD1-CE 4.12Å; I193-M353 HydrophobicContact CD1-SD 3.86Å; I193-M353 HydrophobicContact CG1-CE 4.41Å; I193-M353 HydrophobicContact CG1-SD 3.6Å; S334-M353 CarbonylContact O-C 3.58Å; S334-M353 WeakPolarHBondContact O-CA 3.4Å; F335-M353 HydrophobicContact CD1-CB 3.63Å; F335-M353 HydrophobicContact CE1-CB 3.77Å; F335-M353 HydrophobicContact CE1-SD 3.99Å; M353-V355 HydrophobicContact CG-CG2 4.11Å; M353-V355 HydrophobicContact SD-CG2 4.31Å; M353-L366 HydrophobicContact CE-CD1 4.03Å; M353-L366 HydrophobicContact CE-CD2 4.33Å
354	E	98.8	Very high	92.1	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.023	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.6	164.3	179.9	178.2	-148.3	0	0	108.1	I167 A175 N179 I180 K316 A333 S334 I356	I167-E354 HydrophobicContact CD1-CB 4.25Å; A175-E354 WeakPolarHBondContact CB-OE1 3.43Å; N179-E354 HydrophobicContact CB-CG 4.39Å; N179-E354 CarbonylContact O-C 3.44Å; N179-E354 WeakPolarHBondContact O-CA 3.25Å; I180-E354 HydrophobicContact CD1-CB 3.63Å; I180-E354 HydrophobicContact CD1-CG 3.71Å; K316-E354 VanDerWaalsContact CD-CD 3.47Å; K316-E354 WeakPolarHBondContact CD-OE1 3.22Å; K316-E354 WeakPolarHBondContact CD-OE2 3.37Å; K316-E354 WeakPolarHBondContact CE-OE1 3.29Å; K316-E354 WeakPolarHBondContact CE-OE2 3.47Å; A333-E354 CarbonylContact C-O 3.57Å; A333-E354 WeakPolarHBondContact CA-O 3.47Å; S334-E354 PolarHBondContact N-O 3.05Å; S334-E354 PolarHBondContact O-N 2.82Å; E354-I356 HydrophobicContact CG-CG2 4.15Å
355	V	98.5	Very high	92.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.8	179.6	-167.8	0	0	0	0	109.8	N179 Y181 I193 F294 L332 A333 M353 L358	N179-V355 VanDerWaalsContact CB-O 3.26Å; N179-V355 WeakPolarHBondContact CB-O 3.49Å; N179-V355 PolarHBondContact O-N 3.42Å; Y181-V355 HydrophobicContact CD2-CG2 4.05Å; Y181-V355 HydrophobicContact CE2-CB 4.24Å; Y181-V355 HydrophobicContact CE2-CG2 4.11Å; I193-V355 HydrophobicContact CD1-CG2 4.02Å; F294-V355 HydrophobicContact CZ-CG1 4.25Å; L332-V355 WeakPolarHBondContact O-CA 3.35Å; A333-V355 HydrophobicContact CB-CG2 4.17Å; M353-V355 HydrophobicContact CG-CG2 4.11Å; M353-V355 HydrophobicContact SD-CG2 4.31Å; V355-L358 HydrophobicContact CG1-CB 4.13Å; V355-L358 HydrophobicContact CG1-CD1 4.31Å; V355-L358 HydrophobicContact CG1-CD2 4.14Å; V355-L358 HydrophobicContact CG1-CG 4.44Å
356	I	98.1	Very high	93	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.7	-178.8	60.4	175.1	0	0	0	111.5	L319 Y320 L332 E354 L358	L319-I356 HydrophobicContact CD2-CD1 3.68Å; Y320-I356 HydrophobicContact CE2-CD1 3.8Å; L332-I356 HydrophobicContact CB-CD1 4.09Å; L332-I356 HydrophobicContact CB-CG1 3.78Å; L332-I356 HydrophobicContact CD2-CD1 3.98Å; L332-I356 HydrophobicContact CD2-CG1 4.44Å; L332-I356 HydrophobicContact CG-CG1 4.45Å; L332-I356 PolarHBondContact N-O 3.34Å; L332-I356 PolarHBondContact O-N 3.06Å; E354-I356 HydrophobicContact CG-CG2 4.15Å; I356-L358 PolarHBondContact O-N 2.94Å; I356-L358 VanDerWaalsContact O-N 3.16Å
357	N	96.9	Very high	93.1	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	58.7	19.3	-178.2	-58	-32.5	0	0	0	115.2	S327 V330 H359	S327-N357 PolarHBondContact O-ND2 3.26Å; S327-N357 PolarHBondContact O-OD1 3.34Å; V330-N357 PolarHBondContact O-ND2 3.15Å; N357-H359 PolarHBondContact O-N 3.11Å
358	L	93.2	Very high	93.2	Very high	23 Å²	23	54.3 Å²	54.3	12%	0.12	27%	0.272	C	S	.	.			trans	-72.1	128.2	174.1	-158.3	69.7	0	0	0	110.1	F294 V355 I356 I362 K363 L366	F294-L358 HydrophobicContact CE2-CD1 3.81Å; F294-L358 HydrophobicContact CZ-CD1 4.41Å; V355-L358 HydrophobicContact CG1-CB 4.13Å; V355-L358 HydrophobicContact CG1-CD1 4.31Å; V355-L358 HydrophobicContact CG1-CD2 4.14Å; V355-L358 HydrophobicContact CG1-CG 4.44Å; I356-L358 PolarHBondContact O-N 2.94Å; I356-L358 VanDerWaalsContact O-N 3.16Å; L358-I362 HydrophobicContact CD1-CB 4.31Å; L358-I362 HydrophobicContact CD1-CG2 3.71Å; L358-I362 HydrophobicContact CD2-CB 4.46Å; L358-I362 HydrophobicContact CD2-CG2 4.06Å; L358-I362 HydrophobicContact CG-CB 4.03Å; L358-I362 HydrophobicContact CG-CG2 3.84Å; L358-K363 HydrophobicContact CD2-CB 4.14Å; L358-L366 HydrophobicContact CD2-CD2 4.15Å
359	H	86.6	Confident	93.2	Very high	132 Å²	132	52.4 Å²	52.4	61%	0.611	27%	0.267	S	S	*	.			trans	-53.8	137.9	174.5	-86.6	-147	0	0	0	111.1	N357 E361 I362 K363	N357-H359 PolarHBondContact O-N 3.11Å; H359-E361 VanDerWaalsContact C-N 3.27Å; H359-E361 PolarHBondContact O-N 2.79Å; H359-E361 VanDerWaalsContact O-N 3.15Å; H359-I362 HydrophobicContact CB-CB 4.38Å; H359-I362 HydrophobicContact CB-CG1 3.89Å; H359-I362 WeakPolarHBondContact O-CA 2.88Å; H359-I362 WeakPolarHBondContact O-CB 3.09Å; H359-I362 PolarHBondContact O-N 3.44Å; H359-K363 PolarHBondContact O-N 2.87Å
360	P	87.4	Confident	92.9	Very high	113 Å²	113	47.4 Å²	47.4	73%	0.734	25%	0.248	S	C	*	.	H	α-helix	trans	-54.5	-37.4	-175.3	-29.9	35.6	0	0	0	114.8	I362 K363 G364	P360-I362 VanDerWaalsContact C-N 3.34Å; P360-K363 WeakPolarHBondContact O-CB 3.5Å; P360-K363 PolarHBondContact O-N 3.13Å; P360-G364 PolarHBondContact O-N 3.4Å
361	E	88.3	Confident	92.4	Very high	170 Å²	170	50.1 Å²	50.1	79%	0.794	27%	0.267	S	S	*	.	H	α-helix	trans	-65.7	-37.9	176.5	-63.5	-175.3	177	0	0	112.2	H359 G364 Q365	H359-E361 VanDerWaalsContact C-N 3.27Å; H359-E361 PolarHBondContact O-N 2.79Å; H359-E361 VanDerWaalsContact O-N 3.15Å; E361-G364 PolarHBondContact O-N 3.17Å; E361-Q365 PolarHBondContact O-N 2.85Å
362	I	89.8	Confident	92	Very high	68 Å²	68	55.7 Å²	55.7	35%	0.349	30%	0.301	S	S	.	.	H	α-helix	trans	-71.1	-38.8	176.8	-53.4	-57.9	0	0	0	110.3	L196 L358 H359 P360 G364 Q365 L366	L196-I362 HydrophobicContact CD1-CG2 4.4Å; L196-I362 HydrophobicContact CD2-CG2 3.8Å; L196-I362 HydrophobicContact CG-CG2 4.2Å; L358-I362 HydrophobicContact CD1-CB 4.31Å; L358-I362 HydrophobicContact CD1-CG2 3.71Å; L358-I362 HydrophobicContact CD2-CB 4.46Å; L358-I362 HydrophobicContact CD2-CG2 4.06Å; L358-I362 HydrophobicContact CG-CB 4.03Å; L358-I362 HydrophobicContact CG-CG2 3.84Å; H359-I362 HydrophobicContact CB-CB 4.38Å; H359-I362 HydrophobicContact CB-CG1 3.89Å; H359-I362 WeakPolarHBondContact O-CA 2.88Å; H359-I362 WeakPolarHBondContact O-CB 3.09Å; H359-I362 PolarHBondContact O-N 3.44Å; P360-I362 VanDerWaalsContact C-N 3.34Å; I362-G364 PolarHBondContact O-N 3.3Å; I362-Q365 PolarHBondContact O-N 3.12Å; I362-Q365 VanDerWaalsContact O-N 3.09Å; I362-L366 PolarHBondContact O-N 2.94Å
363	K	89.7	Confident	91.6	Very high	53 Å²	53	61.6 Å²	61.6	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-56.9	-39.9	169.9	-170.5	171.4	-176.7	166.9	0	111.3	D178 N179 Y181 L358 H359 P360 Q365 L366 V367	D178-K363 VanDerWaalsContact O-CE 3.25Å; D178-K363 WeakPolarHBondContact O-CE 3.38Å; D178-K363 PolarHBondContact O-NZ 2.96Å; N179-K363 PolarHBondContact OD1-NZ 3.32Å; N179-K363 VanDerWaalsContact OD1-NZ 3.16Å; Y181-K363 WeakPolarHBondContact OH-CE 3.32Å; Y181-K363 WeakPolarHBondContact OH-CG 3.28Å; L358-K363 HydrophobicContact CD2-CB 4.14Å; H359-K363 PolarHBondContact O-N 2.87Å; P360-K363 WeakPolarHBondContact O-CB 3.5Å; P360-K363 PolarHBondContact O-N 3.13Å; K363-Q365 PolarHBondContact O-N 3.4Å; K363-L366 PolarHBondContact O-N 2.96Å; K363-V367 WeakPolarHBondContact O-CG2 3.37Å; K363-V367 PolarHBondContact O-N 3.05Å
364	G	88.9	Confident	91.2	Very high	41 Å²	41	65.8 Å²	65.8	42%	0.423	35%	0.345	S	S	.	.	H	α-helix	trans	-59	-43.6	172.7	0	0	0	0	0	113.5	P360 E361 I362 V367 K368	P360-G364 PolarHBondContact O-N 3.4Å; E361-G364 PolarHBondContact O-N 3.17Å; I362-G364 PolarHBondContact O-N 3.3Å; G364-V367 PolarHBondContact O-N 3.17Å; G364-K368 PolarHBondContact O-N 3.32Å
365	Q	91.4	Very high	91	Very high	99 Å²	99	66.6 Å²	66.6	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-37.6	176.4	-62.7	-68.7	13.8	0	0	112.6	L196 E361 I362 K363 K368 L369	L196-Q365 HydrophobicContact CD1-CB 3.96Å; E361-Q365 PolarHBondContact O-N 2.85Å; I362-Q365 PolarHBondContact O-N 3.12Å; I362-Q365 VanDerWaalsContact O-N 3.09Å; K363-Q365 PolarHBondContact O-N 3.4Å; Q365-K368 PolarHBondContact O-N 3.34Å; Q365-L369 WeakPolarHBondContact O-CB 3.42Å; Q365-L369 PolarHBondContact O-N 3.24Å
366	L	92.6	Very high	90.9	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-47.8	173.7	177.2	57.6	0	0	0	110.9	Y181 T192 I193 L196 M353 L358 I362 K363 K368 L369 L370	Y181-L366 HydrophobicContact CD1-CD2 4.39Å; Y181-L366 HydrophobicContact CD2-CD2 4.26Å; Y181-L366 HydrophobicContact CE1-CD2 3.88Å; Y181-L366 HydrophobicContact CE1-CG 4.16Å; Y181-L366 HydrophobicContact CE2-CD2 3.76Å; T192-L366 HydrophobicContact CG2-CD1 3.57Å; I193-L366 HydrophobicContact CD1-CD2 4.49Å; L196-L366 HydrophobicContact CD2-CB 4.09Å; L196-L366 HydrophobicContact CD2-CD1 4.49Å; M353-L366 HydrophobicContact CE-CD1 4.03Å; M353-L366 HydrophobicContact CE-CD2 4.33Å; L358-L366 HydrophobicContact CD2-CD2 4.15Å; I362-L366 PolarHBondContact O-N 2.94Å; K363-L366 PolarHBondContact O-N 2.96Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.33Å; L366-L369 PolarHBondContact O-N 3.01Å; L366-L370 HydrophobicContact CD1-CD1 4.17Å; L366-L370 HydrophobicContact CD1-CG 4.23Å; L366-L370 HydrophobicContact CG-CD1 4.18Å; L366-L370 WeakPolarHBondContact O-CG 3.41Å; L366-L370 PolarHBondContact O-N 3.48Å
367	V	87.4	Confident	90.9	Very high	55 Å²	55	70 Å²	70	33%	0.333	37%	0.373	S	S	.	.	H	α-helix	trans	-59	-43.4	176.7	171.9	0	0	0	0	111.3	K363 G364 L369 L370 S371	K363-V367 WeakPolarHBondContact O-CG2 3.37Å; K363-V367 PolarHBondContact O-N 3.05Å; G364-V367 PolarHBondContact O-N 3.17Å; V367-L369 PolarHBondContact O-N 2.94Å; V367-L370 PolarHBondContact O-N 2.78Å; V367-S371 PolarHBondContact O-N 2.92Å
368	K	89.8	Confident	90.9	Very high	130 Å²	130	67.9 Å²	67.9	57%	0.565	36%	0.362	S	S	*	.	H	α-helix	trans	-61.3	-42.5	175.7	179.8	-177.2	176.3	-178	0	112.6	G364 Q365 L366 L370 S371 V372	G364-K368 PolarHBondContact O-N 3.32Å; Q365-K368 PolarHBondContact O-N 3.34Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.33Å; K368-L370 VanDerWaalsContact C-N 3.33Å; K368-S371 PolarHBondContact O-N 3.23Å; K368-S371 PolarHBondContact O-OG 2.89Å; K368-V372 PolarHBondContact O-N 3.25Å
369	L	90.7	Very high	91	Very high	34 Å²	34	68.9 Å²	68.9	18%	0.178	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-38.8	178	179.8	152	0	0	0	111.5	T192 K195 Q365 L366 V367 V372	T192-L369 HydrophobicContact CG2-CD2 3.47Å; T192-L369 VanDerWaalsContact CG2-CD2 3.47Å; K195-L369 HydrophobicContact CD-CD1 4.19Å; K195-L369 HydrophobicContact CG-CD1 4.31Å; Q365-L369 WeakPolarHBondContact O-CB 3.42Å; Q365-L369 PolarHBondContact O-N 3.24Å; L366-L369 PolarHBondContact O-N 3.01Å; V367-L369 PolarHBondContact O-N 2.94Å; L369-V372 WeakPolarHBondContact O-CG2 3.4Å
370	L	90	Very high	91.5	Very high	11 Å²	11	62.6 Å²	62.6	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-68.6	-38.2	175.6	-65.5	172.6	0	0	0	111.6	Y181 T192 L366 V367 K368 V372 R373	Y181-L370 HydrophobicContact CD1-CD1 3.28Å; Y181-L370 HydrophobicContact CE1-CD1 3.83Å; Y181-L370 HydrophobicContact CG-CD1 4.18Å; T192-L370 HydrophobicContact CG2-CD2 4.26Å; L366-L370 HydrophobicContact CD1-CD1 4.17Å; L366-L370 HydrophobicContact CD1-CG 4.23Å; L366-L370 HydrophobicContact CG-CD1 4.18Å; L366-L370 WeakPolarHBondContact O-CG 3.41Å; L366-L370 PolarHBondContact O-N 3.48Å; V367-L370 PolarHBondContact O-N 2.78Å; K368-L370 VanDerWaalsContact C-N 3.33Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.18Å; L370-R373 PolarHBondContact O-N 3.22Å; L370-R373 VanDerWaalsContact O-N 3.09Å
371	S	87.6	Confident	92	Very high	58 Å²	58	57.4 Å²	57.4	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-33.3	-177	68.4	0	0	0	0	114.1	S153 V367 K368 R373 L374	S153-S371 WeakPolarHBondContact OG-CA 2.91Å; V367-S371 PolarHBondContact O-N 2.92Å; K368-S371 PolarHBondContact O-N 3.23Å; K368-S371 PolarHBondContact O-OG 2.89Å; S371-R373 PolarHBondContact O-N 3.19Å; S371-L374 PolarHBondContact O-N 2.85Å
372	V	89.3	Confident	92.4	Very high	117 Å²	117	49.3 Å²	49.3	71%	0.709	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-10	177.6	-61.4	0	0	0	0	113.4	K368 L369 L370	K368-V372 PolarHBondContact O-N 3.25Å; L369-V372 WeakPolarHBondContact O-CG2 3.4Å; L370-V372 VanDerWaalsContact C-N 3.33Å; L370-V372 PolarHBondContact O-N 3.18Å
373	R	89.3	Confident	92.8	Very high	128 Å²	128	46 Å²	46	48%	0.483	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	2.2	176.5	-59.8	-179.3	64.6	-170.7	-5.1	113.1	D188 L370 S371 C375	D188-R373 IonicContact OD1-CZ 2.71Å; D188-R373 IonicContact OD1-NH1 3.31Å; D188-R373 PolarHBondContact OD1-NH1 3.31Å; D188-R373 IonicContact OD1-NH2 3.78Å; D188-R373 PolarHBondContact OD1-NH2 3.49Å; D188-R373 IonicContact OD2-NH2 3.67Å; L370-R373 PolarHBondContact O-N 3.22Å; L370-R373 VanDerWaalsContact O-N 3.09Å; S371-R373 PolarHBondContact O-N 3.19Å; R373-C375 PolarHBondContact O-N 3.43Å
374	L	91.3	Very high	93.1	Very high	88 Å²	88	43.5 Å²	43.5	46%	0.461	24%	0.243	S	C	.	.			trans	64.1	-115.4	-169	-59.6	164.9	0	0	0	111.5	Y150 S153 S371	Y150-L374 HydrophobicContact CD1-CB 4.11Å; Y150-L374 HydrophobicContact CD1-CD1 4.25Å; Y150-L374 HydrophobicContact CE1-CB 4.12Å; Y150-L374 HydrophobicContact CE1-CD1 3.57Å; Y150-L374 HydrophobicContact CE1-CG 4.37Å; Y150-L374 HydrophobicContact CE2-CD1 4.24Å; S153-L374 VanDerWaalsContact CA-O 3.3Å; S153-L374 WeakPolarHBondContact CA-O 3.49Å; S153-L374 VanDerWaalsContact CB-O 3.22Å; S153-L374 WeakPolarHBondContact CB-O 3.34Å; S153-L374 PolarHBondContact OG-O 3.23Å; S371-L374 PolarHBondContact O-N 2.85Å
375	C	94.5	Very high	93.5	Very high	22 Å²	22	41.6 Å²	41.6	15%	0.149	22%	0.223	C	C	.	.			trans	-137.3	158	179.9	70	0	0	0	0	110.5	S151 R373	S151-C375 PolarHBondContact N-SG 3.03Å; R373-C375 PolarHBondContact O-N 3.43Å
376	P	96.7	Very high	93.6	Very high	9 Å²	9	37 Å²	37	6%	0.058	20%	0.201	C	C	.	.			trans	-57.3	152.6	167.7	-18.9	29.5	0	0	0	111	L182 V378 Q381	L182-P376 HydrophobicContact CB-CG 4.43Å; L182-P376 WeakPolarHBondContact O-CG 3.4Å; P376-V378 PolarHBondContact O-N 3.45Å; P376-Q381 HydrophobicContact CB-CG 4.27Å; P376-Q381 PolarHBondContact O-NE2 3.5Å
377	P	96.9	Very high	93.8	Very high	68 Å²	68	37.3 Å²	37.3	44%	0.442	20%	0.203	S	C	.	.			trans	-52.9	128	173.2	-25.9	34.9	0	0	0	111.4	S379 G380 Q381	P377-S379 PolarHBondContact O-N 2.87Å; P377-G380 WeakPolarHBondContact O-CA 3.44Å; P377-G380 PolarHBondContact O-N 3.22Å; P377-Q381 PolarHBondContact O-N 3.17Å
378	V	97.1	Very high	94.2	Very high	7 Å²	7	34.7 Å²	34.7	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-25	-173.5	-169.2	0	0	0	0	111.9	L147 S149 V156 P376 G380 Q381 A382	L147-V378 HydrophobicContact CD2-CB 4.26Å; L147-V378 HydrophobicContact CD2-CG1 3.64Å; S149-V378 WeakPolarHBondContact O-CG2 3.21Å; V156-V378 HydrophobicContact CG2-CG1 4.14Å; P376-V378 PolarHBondContact O-N 3.45Å; V378-G380 VanDerWaalsContact C-N 3.32Å; V378-G380 PolarHBondContact O-N 2.93Å; V378-Q381 CarbonylContact O-C 3.49Å; V378-Q381 WeakPolarHBondContact O-CB 3.21Å; V378-Q381 PolarHBondContact O-N 3.04Å; V378-A382 WeakPolarHBondContact O-CB 3.19Å; V378-A382 PolarHBondContact O-N 3.17Å
379	S	96.3	Very high	94.4	Very high	43 Å²	43	29.6 Å²	29.6	30%	0.301	17%	0.166	S	C	.	.	H	α-helix	trans	-62.3	-35.8	170.3	54.7	0	0	0	0	113.1	M113 P377 A383	M113-S379 WeakPolarHBondContact CE-O 3.29Å; P377-S379 PolarHBondContact O-N 2.87Å; S379-A383 WeakPolarHBondContact O-CB 3.35Å; S379-A383 PolarHBondContact O-N 2.82Å
380	G	97	Very high	94.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-70.7	-36.2	171.9	0	0	0	0	0	112.2	G350 P377 V378 A383 M384	G350-G380 WeakPolarHBondContact CA-O 3.5Å; P377-G380 WeakPolarHBondContact O-CA 3.44Å; P377-G380 PolarHBondContact O-N 3.22Å; V378-G380 VanDerWaalsContact C-N 3.32Å; V378-G380 PolarHBondContact O-N 2.93Å; G380-A383 PolarHBondContact O-N 3.19Å; G380-M384 PolarHBondContact O-N 3.22Å
381	Q	97.9	Very high	94.9	Very high	3 Å²	3	29 Å²	29	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-44.2	173.6	-58	-177.9	42.1	0	0	111.2	S151 G155 I159 L182 P376 P377 V378 M384 D385	S151-Q381 PolarHBondContact OG-NE2 2.74Å; S151-Q381 PolarHBondContact OG-OE1 3.05Å; G155-Q381 VanDerWaalsContact CA-OE1 3.27Å; I159-Q381 HydrophobicContact CD1-CB 3.94Å; L182-Q381 HydrophobicContact CB-CG 4.2Å; L182-Q381 HydrophobicContact CD1-CB 3.77Å; L182-Q381 HydrophobicContact CD1-CG 3.69Å; P376-Q381 HydrophobicContact CB-CG 4.27Å; P376-Q381 PolarHBondContact O-NE2 3.5Å; P377-Q381 PolarHBondContact O-N 3.17Å; V378-Q381 CarbonylContact O-C 3.49Å; V378-Q381 WeakPolarHBondContact O-CB 3.21Å; V378-Q381 PolarHBondContact O-N 3.04Å; Q381-M384 WeakPolarHBondContact O-CB 3.47Å; Q381-M384 PolarHBondContact O-N 3.04Å; Q381-M384 VanDerWaalsContact O-N 3.12Å; Q381-D385 PolarHBondContact O-N 2.79Å
382	A	96.8	Very high	95.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-39.7	175.4	0	0	0	0	0	112.3	M113 I138 L147 V378 M384 D385 I386	M113-A382 HydrophobicContact SD-CB 4.06Å; I138-A382 HydrophobicContact CD1-CB 4.16Å; I138-A382 HydrophobicContact CG2-CB 3.99Å; L147-A382 HydrophobicContact CD2-CB 4.27Å; V378-A382 WeakPolarHBondContact O-CB 3.19Å; V378-A382 PolarHBondContact O-N 3.17Å; A382-M384 VanDerWaalsContact C-N 3.3Å; A382-M384 PolarHBondContact O-N 2.92Å; A382-D385 WeakPolarHBondContact O-CB 3.36Å; A382-D385 PolarHBondContact O-N 3.36Å; A382-I386 WeakPolarHBondContact O-CD1 3.27Å; A382-I386 WeakPolarHBondContact O-CG1 3.5Å; A382-I386 PolarHBondContact O-N 2.89Å
383	A	96.7	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-41.2	171.7	0	0	0	0	0	111.3	M113 T338 S379 G380 I386 V387	M113-A383 HydrophobicContact SD-CB 4.39Å; T338-A383 HydrophobicContact CG2-CB 4.01Å; S379-A383 WeakPolarHBondContact O-CB 3.35Å; S379-A383 PolarHBondContact O-N 2.82Å; G380-A383 PolarHBondContact O-N 3.19Å; A383-I386 PolarHBondContact O-N 2.8Å; A383-V387 WeakPolarHBondContact O-CG2 3.15Å; A383-V387 PolarHBondContact O-N 3.43Å
384	M	97.8	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-41.4	176.2	-175.6	52.9	78.9	0	0	112.2	V163 L182 T338 Y352 G380 Q381 A382 I386 V387 V388	V163-M384 HydrophobicContact CG2-CG 4.32Å; L182-M384 HydrophobicContact CD2-CG 4.44Å; T338-M384 HydrophobicContact CG2-CB 3.93Å; T338-M384 HydrophobicContact CG2-CE 3.78Å; T338-M384 HydrophobicContact CG2-SD 4.24Å; Y352-M384 HydrophobicContact CD1-CE 3.85Å; Y352-M384 HydrophobicContact CD1-CG 4Å; Y352-M384 HydrophobicContact CD1-SD 3.64Å; Y352-M384 HydrophobicContact CE1-CE 4.46Å; Y352-M384 HydrophobicContact CE1-SD 4.01Å; G380-M384 PolarHBondContact O-N 3.22Å; Q381-M384 WeakPolarHBondContact O-CB 3.47Å; Q381-M384 PolarHBondContact O-N 3.04Å; Q381-M384 VanDerWaalsContact O-N 3.12Å; A382-M384 VanDerWaalsContact C-N 3.3Å; A382-M384 PolarHBondContact O-N 2.92Å; M384-I386 VanDerWaalsContact C-N 3.27Å; M384-I386 PolarHBondContact O-N 3.49Å; M384-V387 WeakPolarHBondContact O-CB 3.36Å; M384-V387 PolarHBondContact O-N 3.4Å; M384-V387 VanDerWaalsContact O-N 3.1Å; M384-V387 HydrophobicContact SD-CB 4.27Å; M384-V387 HydrophobicContact SD-CG1 4.46Å; M384-V388 HydrophobicContact CG-CG1 4.49Å; M384-V388 WeakPolarHBondContact O-CG2 3.34Å; M384-V388 PolarHBondContact O-N 3.39Å; M384-V388 HydrophobicContact SD-CG1 3.86Å
385	D	96.7	Very high	96.3	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-51.6	-47.2	174.4	-169.9	73.4	0	0	0	111.9	I138 I159 Q381 A382 V387 V388 N389	I138-D385 HydrophobicContact CD1-CB 4.19Å; I159-D385 HydrophobicContact CD1-CB 4.14Å; I159-D385 HydrophobicContact CG1-CB 4.06Å; I159-D385 HydrophobicContact CG2-CB 3.93Å; Q381-D385 PolarHBondContact O-N 2.79Å; A382-D385 WeakPolarHBondContact O-CB 3.36Å; A382-D385 PolarHBondContact O-N 3.36Å; D385-V387 PolarHBondContact O-N 3.49Å; D385-V388 WeakPolarHBondContact O-CG2 3.47Å; D385-V388 PolarHBondContact O-N 3.33Å; D385-N389 WeakPolarHBondContact O-CA 3.35Å; D385-N389 WeakPolarHBondContact O-CB 3.21Å; D385-N389 PolarHBondContact O-N 2.95Å
386	I	94.1	Very high	96.5	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-37.4	-179.5	-58.8	156	0	0	0	111.5	F108 L109 V112 M113 A382 A383 M384 V388 N389	F108-I386 HydrophobicContact CD1-CG2 3.98Å; F108-I386 HydrophobicContact CE1-CG2 4.32Å; L109-I386 HydrophobicContact CB-CG2 4Å; L109-I386 HydrophobicContact CD1-CG2 4.34Å; L109-I386 HydrophobicContact CG-CB 4.39Å; L109-I386 HydrophobicContact CG-CD1 4Å; L109-I386 HydrophobicContact CG-CG2 4.05Å; V112-I386 HydrophobicContact CB-CD1 3.63Å; V112-I386 HydrophobicContact CB-CG1 4.09Å; V112-I386 HydrophobicContact CG1-CD1 3.64Å; V112-I386 HydrophobicContact CG1-CG1 3.9Å; V112-I386 HydrophobicContact CG2-CD1 4.46Å; V112-I386 HydrophobicContact CG2-CG1 4.48Å; M113-I386 HydrophobicContact CG-CD1 4.09Å; M113-I386 HydrophobicContact SD-CD1 4.2Å; A382-I386 WeakPolarHBondContact O-CD1 3.27Å; A382-I386 WeakPolarHBondContact O-CG1 3.5Å; A382-I386 PolarHBondContact O-N 2.89Å; A383-I386 PolarHBondContact O-N 2.8Å; M384-I386 VanDerWaalsContact C-N 3.27Å; M384-I386 PolarHBondContact O-N 3.49Å; I386-V388 VanDerWaalsContact C-N 3.35Å; I386-N389 CarbonylContact O-C 3.56Å
387	V	95	Very high	96.6	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-61.7	-43.5	176.4	173.9	0	0	0	0	111.2	T338 M343 A383 M384 D385	T338-V387 HydrophobicContact CG2-CG2 4.14Å; M343-V387 HydrophobicContact CB-CG2 4.04Å; M343-V387 HydrophobicContact CE-CG2 4.33Å; M343-V387 HydrophobicContact CG-CG1 4.47Å; M343-V387 HydrophobicContact CG-CG2 4Å; A383-V387 WeakPolarHBondContact O-CG2 3.15Å; A383-V387 PolarHBondContact O-N 3.43Å; M384-V387 WeakPolarHBondContact O-CB 3.36Å; M384-V387 PolarHBondContact O-N 3.4Å; M384-V387 VanDerWaalsContact O-N 3.1Å; M384-V387 HydrophobicContact SD-CB 4.27Å; M384-V387 HydrophobicContact SD-CG1 4.46Å; D385-V387 PolarHBondContact O-N 3.49Å
388	V	96.4	Very high	96.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-88	-16.5	-176.9	-58.3	0	0	0	0	113.6	D162 V163 F166 R169 Y352 M384 D385 I386 P390	D162-V388 HydrophobicContact CB-CG2 4.02Å; V163-V388 HydrophobicContact CG2-CB 4.5Å; V163-V388 HydrophobicContact CG2-CG1 4.11Å; V163-V388 HydrophobicContact CG2-CG2 3.92Å; F166-V388 HydrophobicContact CB-CB 3.62Å; F166-V388 HydrophobicContact CB-CG1 4.28Å; F166-V388 WeakPolarHBondContact CB-O 3.5Å; F166-V388 HydrophobicContact CD1-CB 4.15Å; F166-V388 HydrophobicContact CD1-CG1 3.89Å; F166-V388 HydrophobicContact CD2-CB 4.11Å; F166-V388 HydrophobicContact CD2-CG1 4.49Å; F166-V388 WeakPolarHBondContact CD2-O 3.25Å; F166-V388 HydrophobicContact CE1-CG1 4.39Å; F166-V388 HydrophobicContact CG-CB 3.69Å; F166-V388 HydrophobicContact CG-CG1 3.96Å; R169-V388 PolarHBondContact NH2-O 2.89Å; Y352-V388 HydrophobicContact CE1-CG1 3.99Å; M384-V388 HydrophobicContact CG-CG1 4.49Å; M384-V388 WeakPolarHBondContact O-CG2 3.34Å; M384-V388 PolarHBondContact O-N 3.39Å; M384-V388 HydrophobicContact SD-CG1 3.86Å; D385-V388 WeakPolarHBondContact O-CG2 3.47Å; D385-V388 PolarHBondContact O-N 3.33Å; I386-V388 VanDerWaalsContact C-N 3.35Å; V388-P390 WeakPolarHBondContact O-CD 3.41Å
389	N	94.3	Very high	96.7	Very high	23 Å²	23	33.8 Å²	33.8	12%	0.123	20%	0.204	C	C	.	.	S	Bend	trans	-127.1	59.4	-179.1	-163.4	14.1	0	0	0	112.2	R137 D162 D385 I386	R137-N389 PolarHBondContact NH1-ND2 2.98Å; D162-N389 HydrophobicContact CB-CB 4.45Å; D385-N389 WeakPolarHBondContact O-CA 3.35Å; D385-N389 WeakPolarHBondContact O-CB 3.21Å; D385-N389 PolarHBondContact O-N 2.95Å; I386-N389 CarbonylContact O-C 3.56Å
390	P	94.5	Very high	96.8	Very high	29 Å²	29	35.4 Å²	35.4	19%	0.188	21%	0.207	C	C	.	.			trans	-64.9	166.5	178.3	30.9	-36.9	0	0	0	111.4	V388 F401	V388-P390 WeakPolarHBondContact O-CD 3.41Å; P390-F401 HydrophobicContact CB-CD1 4.31Å; P390-F401 HydrophobicContact CB-CE1 3.52Å; P390-F401 HydrophobicContact CB-CE2 4.17Å; P390-F401 HydrophobicContact CB-CZ 3.43Å; P390-F401 VanDerWaalsContact CB-CZ 3.43Å; P390-F401 HydrophobicContact CG-CE1 4.45Å
391	P	96.8	Very high	96.8	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.026	21%	0.208	C	C	.	.			trans	-52.5	143.4	169.4	-26.1	36.2	0	0	0	111.5	F108 E395 F398 F401	F108-P391 HydrophobicContact CB-CG 4.4Å; F108-P391 HydrophobicContact CD1-CG 3.58Å; F108-P391 HydrophobicContact CD2-CG 3.77Å; F108-P391 HydrophobicContact CE1-CG 3.63Å; F108-P391 HydrophobicContact CE2-CG 3.81Å; F108-P391 HydrophobicContact CG-CG 3.64Å; F108-P391 HydrophobicContact CZ-CG 3.74Å; P391-E395 VanDerWaalsContact CA-OE2 3.29Å; P391-E395 WeakPolarHBondContact CA-OE2 3.32Å; P391-F398 HydrophobicContact CB-CB 4.23Å; P391-F398 WeakPolarHBondContact O-CD2 3.43Å; P391-F401 HydrophobicContact CB-CB 4.47Å; P391-F401 HydrophobicContact CG-CB 4.04Å; P391-F401 HydrophobicContact CG-CD2 4.36Å; P391-F401 HydrophobicContact CG-CG 4.09Å
392	V	95.6	Very high	96.7	Very high	69 Å²	69	37 Å²	37	42%	0.418	22%	0.218	S	C	.	.			trans	-115.4	161.5	179.4	-62.9	0	0	0	0	111.9	G394 E395 F398	V392-G394 PolarHBondContact O-N 3.34Å; V392-E395 HydrophobicContact CG2-CG 4Å; V392-E395 PolarHBondContact N-OE2 3.41Å; V392-E395 WeakPolarHBondContact O-CB 3.39Å; V392-E395 PolarHBondContact O-N 3.36Å; V392-F398 WeakPolarHBondContact O-CB 3.31Å
393	P	97.1	Very high	96.7	Very high	102 Å²	102	44.4 Å²	44.4	66%	0.662	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	129.8	178.6	-27.9	34.3	0	0	0	112.6	F398	P393-F398 HydrophobicContact CB-CE1 4.29Å; P393-F398 HydrophobicContact CB-CZ 4.38Å; P393-F398 HydrophobicContact CG-CD2 4.44Å; P393-F398 HydrophobicContact CG-CE1 4.01Å; P393-F398 HydrophobicContact CG-CE2 3.86Å; P393-F398 HydrophobicContact CG-CZ 3.63Å
394	G	96.9	Very high	96.7	Very high	88 Å²	88	46.3 Å²	46.3	91%	0.907	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-8	-175.4	0	0	0	0	0	115	V392	V392-G394 PolarHBondContact O-N 3.34Å
395	E	98	Very high	96.5	Very high	38 Å²	38	48.9 Å²	48.9	18%	0.178	27%	0.266	C	S	.	.	S	Bend	trans	-88.6	150.4	170.5	-65.7	-171	127.5	0	0	112.4	D130 R134 P391 V392 S397 F398	D130-E395 HydrophobicContact CB-CB 4.22Å; R134-E395 IonicContact CZ-OE1 2.79Å; R134-E395 VanDerWaalsContact CZ-OE1 3.28Å; R134-E395 IonicContact CZ-OE2 3.84Å; R134-E395 IonicContact NH1-OE1 3.75Å; R134-E395 PolarHBondContact NH1-OE1 3.21Å; R134-E395 IonicContact NH1-OE2 2.86Å; R134-E395 IonicContact NH2-OE1 2.62Å; R134-E395 PolarHBondContact NH2-OE1 3.43Å; R134-E395 IonicContact NH2-OE2 3.28Å; R134-E395 PolarHBondContact NH2-OE2 2.94Å; P391-E395 VanDerWaalsContact CA-OE2 3.29Å; P391-E395 WeakPolarHBondContact CA-OE2 3.32Å; V392-E395 HydrophobicContact CG2-CG 4Å; V392-E395 PolarHBondContact N-OE2 3.41Å; V392-E395 WeakPolarHBondContact O-CB 3.39Å; V392-E395 PolarHBondContact O-N 3.36Å; E395-S397 VanDerWaalsContact C-N 3.29Å; E395-S397 PolarHBondContact O-N 2.92Å; E395-F398 WeakPolarHBondContact O-CB 3.31Å; E395-F398 PolarHBondContact O-N 2.96Å; E395-F398 VanDerWaalsContact O-N 3.17Å
396	E	97.9	Very high	96.4	Very high	135 Å²	135	54.7 Å²	54.7	63%	0.631	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-41.3	-173.5	-174.1	-179.6	169.2	0	0	113.1	P128 E129 D130	P128-E396 WeakPolarHBondContact CA-OE2 3.27Å; P128-E396 HydrophobicContact CB-CB 4.4Å; P128-E396 HydrophobicContact CB-CG 3.98Å; P128-E396 WeakPolarHBondContact CB-OE1 3.25Å; P128-E396 WeakPolarHBondContact CB-OE2 3.45Å; E129-E396 PolarHBondContact N-OE2 3.19Å; D130-E396 PolarHBondContact OD2-N 3.44Å
397	S	98.3	Very high	96.4	Very high	8 Å²	8	61.4 Å²	61.4	6%	0.056	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.1	-174.8	-57.4	0	0	0	0	113.7	F108 P128 D130 E395 E399 Q400 F401	F108-S397 VanDerWaalsContact CD2-CB 3.49Å; F108-S397 WeakPolarHBondContact CD2-OG 3.46Å; P128-S397 VanDerWaalsContact CG-OG 3.29Å; P128-S397 WeakPolarHBondContact CG-OG 3.49Å; D130-S397 VanDerWaalsContact CG-OG 3.3Å; D130-S397 PolarHBondContact OD1-OG 3.09Å; D130-S397 WeakPolarHBondContact OD2-CA 3.35Å; D130-S397 WeakPolarHBondContact OD2-CB 3.26Å; D130-S397 PolarHBondContact OD2-N 2.85Å; D130-S397 PolarHBondContact OD2-OG 2.81Å; D130-S397 VanDerWaalsContact OD2-OG 3.06Å; E395-S397 VanDerWaalsContact C-N 3.29Å; E395-S397 PolarHBondContact O-N 2.92Å; S397-E399 PolarHBondContact O-N 2.72Å; S397-Q400 PolarHBondContact O-N 3.46Å; S397-F401 VanDerWaalsContact O-CB 3.31Å; S397-F401 WeakPolarHBondContact O-CB 3.03Å; S397-F401 PolarHBondContact O-N 3.1Å
398	F	98.1	Very high	96.4	Very high	43 Å²	43	61.6 Å²	61.6	19%	0.189	32%	0.323	C	S	.	.	H	α-helix	trans	-58.9	-47.9	-170.7	175.6	-103.4	0	0	0	113.8	P391 V392 P393 E395 Q400 F401 S402	P391-F398 HydrophobicContact CB-CB 4.23Å; P391-F398 WeakPolarHBondContact O-CD2 3.43Å; V392-F398 WeakPolarHBondContact O-CB 3.31Å; P393-F398 HydrophobicContact CB-CE1 4.29Å; P393-F398 HydrophobicContact CB-CZ 4.38Å; P393-F398 HydrophobicContact CG-CD2 4.44Å; P393-F398 HydrophobicContact CG-CE1 4.01Å; P393-F398 HydrophobicContact CG-CE2 3.86Å; P393-F398 HydrophobicContact CG-CZ 3.63Å; E395-F398 WeakPolarHBondContact O-CB 3.31Å; E395-F398 PolarHBondContact O-N 2.96Å; E395-F398 VanDerWaalsContact O-N 3.17Å; F398-Q400 PolarHBondContact O-N 2.95Å; F398-F401 PolarHBondContact O-N 2.84Å; F398-S402 WeakPolarHBondContact CE2-OG 3.5Å; F398-S402 WeakPolarHBondContact CZ-OG 3.42Å; F398-S402 WeakPolarHBondContact O-CB 3.48Å; F398-S402 PolarHBondContact O-N 3.13Å; F398-S402 PolarHBondContact O-OG 3.19Å
399	E	98.2	Very high	96.2	Very high	114 Å²	114	62.9 Å²	62.9	53%	0.533	33%	0.33	S	S	.	.	H	α-helix	trans	-65.9	-39.8	-176.9	-71.6	-59.9	140.7	0	0	112	S397 R403	S397-E399 PolarHBondContact O-N 2.72Å; E399-R403 WeakPolarHBondContact O-CG 3.37Å; E399-R403 PolarHBondContact O-N 2.91Å; E399-R403 VanDerWaalsContact O-N 3.17Å
400	Q	98.1	Very high	96.2	Very high	78 Å²	78	63.8 Å²	63.8	36%	0.364	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-48.6	176	178.4	176.2	-4.7	0	0	111.1	T107 S397 F398 S402 R403 E404	T107-Q400 PolarHBondContact OG1-NE2 3.23Å; S397-Q400 PolarHBondContact O-N 3.46Å; F398-Q400 PolarHBondContact O-N 2.95Å; Q400-S402 VanDerWaalsContact C-N 3.3Å; Q400-S402 PolarHBondContact O-N 3.46Å; Q400-R403 PolarHBondContact O-N 3.3Å; Q400-E404 HydrophobicContact CG-CG 4.43Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.46Å; Q400-E404 PolarHBondContact NE2-OE1 3.02Å; Q400-E404 WeakPolarHBondContact O-CG 3.13Å; Q400-E404 PolarHBondContact O-N 2.84Å
401	F	97.1	Very high	96.2	Very high	7 Å²	7	64.5 Å²	64.5	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-56.8	-45.4	178.9	176.2	-93.1	0	0	0	111.8	I106 F108 Y342 M343 P390 P391 S397 F398 R403 E404 K405	I106-F401 HydrophobicContact CG2-CD2 3.65Å; I106-F401 HydrophobicContact CG2-CE2 3.7Å; F108-F401 HydrophobicContact CB-CD2 4.2Å; Y342-F401 HydrophobicContact CE2-CE2 4.31Å; Y342-F401 AromaticContact CE2-CZ 3.77Å; Y342-F401 HydrophobicContact CE2-CZ 3.77Å; M343-F401 HydrophobicContact CE-CE2 3.62Å; M343-F401 HydrophobicContact CE-CZ 3.65Å; M343-F401 HydrophobicContact SD-CE2 4.02Å; M343-F401 HydrophobicContact SD-CZ 4.3Å; P390-F401 HydrophobicContact CB-CD1 4.31Å; P390-F401 HydrophobicContact CB-CE1 3.52Å; P390-F401 HydrophobicContact CB-CE2 4.17Å; P390-F401 HydrophobicContact CB-CZ 3.43Å; P390-F401 VanDerWaalsContact CB-CZ 3.43Å; P390-F401 HydrophobicContact CG-CE1 4.45Å; P391-F401 HydrophobicContact CB-CB 4.47Å; P391-F401 HydrophobicContact CG-CB 4.04Å; P391-F401 HydrophobicContact CG-CD2 4.36Å; P391-F401 HydrophobicContact CG-CG 4.09Å; S397-F401 VanDerWaalsContact O-CB 3.31Å; S397-F401 WeakPolarHBondContact O-CB 3.03Å; S397-F401 PolarHBondContact O-N 3.1Å; F398-F401 PolarHBondContact O-N 2.84Å; F401-R403 PolarHBondContact O-N 3.34Å; F401-E404 PolarHBondContact O-N 3.4Å; F401-K405 HydrophobicContact CE1-CD 4.4Å; F401-K405 WeakPolarHBondContact O-CB 3.32Å; F401-K405 PolarHBondContact O-N 3.14Å
402	S	96.4	Very high	96.1	Very high	31 Å²	31	64.3 Å²	64.3	22%	0.217	35%	0.346	C	S	.	.	H	α-helix	trans	-62.5	-43.7	178.9	-59.5	0	0	0	0	111.4	F398 Q400 E404 K405 E406	F398-S402 WeakPolarHBondContact CE2-OG 3.5Å; F398-S402 WeakPolarHBondContact CZ-OG 3.42Å; F398-S402 WeakPolarHBondContact O-CB 3.48Å; F398-S402 PolarHBondContact O-N 3.13Å; F398-S402 PolarHBondContact O-OG 3.19Å; Q400-S402 VanDerWaalsContact C-N 3.3Å; Q400-S402 PolarHBondContact O-N 3.46Å; S402-E404 PolarHBondContact O-N 3.4Å; S402-K405 PolarHBondContact O-N 3.22Å; S402-E406 WeakPolarHBondContact O-CB 3.38Å; S402-E406 WeakPolarHBondContact O-CG 3.14Å; S402-E406 PolarHBondContact O-N 3.3Å
403	R	97.4	Very high	96.1	Very high	155 Å²	155	62.5 Å²	62.5	59%	0.585	34%	0.338	S	S	*	.	H	α-helix	trans	-61.4	-43.7	174.7	-75.2	-171.4	-64	-93	2.7	112.8	E399 Q400 F401 F407	E399-R403 WeakPolarHBondContact O-CG 3.37Å; E399-R403 PolarHBondContact O-N 2.91Å; E399-R403 VanDerWaalsContact O-N 3.17Å; Q400-R403 PolarHBondContact O-N 3.3Å; F401-R403 PolarHBondContact O-N 3.34Å; R403-F407 WeakPolarHBondContact O-CB 3.43Å; R403-F407 PolarHBondContact O-N 3.17Å
404	E	96.4	Very high	96.1	Very high	40 Å²	40	63 Å²	63	19%	0.187	33%	0.331	C	S	.	.	H	α-helix	trans	-63.2	-45.3	178	-71.7	173.3	179.2	0	0	111.2	I106 T107 Q400 F401 S402 F407 V408	I106-E404 HydrophobicContact CD1-CB 3.86Å; T107-E404 VanDerWaalsContact CB-OE1 3.24Å; T107-E404 WeakPolarHBondContact CB-OE1 3.33Å; T107-E404 PolarHBondContact N-OE2 3.04Å; T107-E404 PolarHBondContact OG1-OE1 2.86Å; Q400-E404 HydrophobicContact CG-CG 4.43Å; Q400-E404 WeakPolarHBondContact CG-OE1 3.46Å; Q400-E404 PolarHBondContact NE2-OE1 3.02Å; Q400-E404 WeakPolarHBondContact O-CG 3.13Å; Q400-E404 PolarHBondContact O-N 2.84Å; F401-E404 PolarHBondContact O-N 3.4Å; S402-E404 PolarHBondContact O-N 3.4Å; E404-F407 PolarHBondContact O-N 3.05Å; E404-V408 WeakPolarHBondContact O-CG2 3.49Å; E404-V408 PolarHBondContact O-N 3.43Å
405	K	94.4	Very high	96.1	Very high	54 Å²	54	59 Å²	59	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-55.1	176.4	174.9	178.3	178.1	170.4	0	112	Y342 F401 S402 F407 V408 L409	Y342-K405 HydrophobicContact CD1-CD 4.37Å; Y342-K405 HydrophobicContact CD1-CG 4.06Å; Y342-K405 HydrophobicContact CD2-CB 3.96Å; Y342-K405 HydrophobicContact CD2-CD 4.36Å; Y342-K405 HydrophobicContact CD2-CG 3.78Å; Y342-K405 HydrophobicContact CE1-CD 3.87Å; Y342-K405 HydrophobicContact CE1-CG 4.06Å; Y342-K405 HydrophobicContact CE2-CB 3.99Å; Y342-K405 HydrophobicContact CE2-CD 3.85Å; Y342-K405 HydrophobicContact CE2-CG 3.76Å; Y342-K405 HydrophobicContact CG-CG 3.92Å; F401-K405 HydrophobicContact CE1-CD 4.4Å; F401-K405 WeakPolarHBondContact O-CB 3.32Å; F401-K405 PolarHBondContact O-N 3.14Å; S402-K405 PolarHBondContact O-N 3.22Å; K405-F407 VanDerWaalsContact C-N 3.29Å; K405-F407 PolarHBondContact O-N 3.2Å; K405-V408 PolarHBondContact O-N 3.46Å; K405-L409 HydrophobicContact CG-CD1 4Å; K405-L409 PolarHBondContact O-N 3.45Å
406	E	93.8	Very high	96.1	Very high	122 Å²	122	57.3 Å²	57.3	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-37.7	-178.4	-68.8	-52.9	132.6	0	0	111.5	S402 G410	S402-E406 WeakPolarHBondContact O-CB 3.38Å; S402-E406 WeakPolarHBondContact O-CG 3.14Å; S402-E406 PolarHBondContact O-N 3.3Å; E406-G410 PolarHBondContact O-N 3.12Å
407	F	94.8	Very high	96	Very high	143 Å²	143	56.4 Å²	56.4	63%	0.627	28%	0.276	S	S	*	.	H	α-helix	trans	-61	-47.7	174.4	176.3	-97.2	0	0	0	112	R403 E404 K405 N411	R403-F407 WeakPolarHBondContact O-CB 3.43Å; R403-F407 PolarHBondContact O-N 3.17Å; E404-F407 PolarHBondContact O-N 3.05Å; K405-F407 VanDerWaalsContact C-N 3.29Å; K405-F407 PolarHBondContact O-N 3.2Å; F407-N411 WeakPolarHBondContact O-CB 3.44Å; F407-N411 PolarHBondContact O-N 3.47Å
408	V	93.7	Very high	96	Very high	10 Å²	10	58.1 Å²	58.1	6%	0.061	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-47.7	-179.8	173.1	0	0	0	0	110.8	Q103 E404 K405 N411 L412	Q103-V408 HydrophobicContact CG-CG1 4.22Å; Q103-V408 HydrophobicContact CG-CG2 4.43Å; E404-V408 WeakPolarHBondContact O-CG2 3.49Å; E404-V408 PolarHBondContact O-N 3.43Å; K405-V408 PolarHBondContact O-N 3.46Å; V408-N411 PolarHBondContact O-N 3Å; V408-L412 HydrophobicContact CG1-CD1 3.95Å; V408-L412 VanDerWaalsContact O-CG 3.26Å; V408-L412 WeakPolarHBondContact O-CG 3.3Å; V408-L412 PolarHBondContact O-N 2.9Å
409	L	92.9	Very high	96	Very high	27 Å²	27	56 Å²	56	14%	0.141	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-43.8	179.9	-69.7	176.6	0	0	0	112.3	D303 Y342 K405 N411 L412 A413	D303-L409 VanDerWaalsContact O-CD2 3.29Å; D303-L409 WeakPolarHBondContact O-CD2 3.39Å; Y342-L409 HydrophobicContact CD1-CD1 4.32Å; Y342-L409 HydrophobicContact CD1-CD2 4.39Å; Y342-L409 HydrophobicContact CD1-CG 4.44Å; K405-L409 HydrophobicContact CG-CD1 4Å; K405-L409 PolarHBondContact O-N 3.45Å; L409-N411 PolarHBondContact O-N 2.96Å; L409-L412 PolarHBondContact O-N 2.73Å; L409-A413 WeakPolarHBondContact O-CB 3.4Å; L409-A413 PolarHBondContact O-N 3.18Å
410	G	94.2	Very high	96	Very high	42 Å²	42	52.7 Å²	52.7	43%	0.433	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.2	0	0	0	0	0	112.6	E406 L412 A413 Q414	E406-G410 PolarHBondContact O-N 3.12Å; G410-L412 PolarHBondContact O-N 2.87Å; G410-A413 PolarHBondContact O-N 3.23Å; G410-Q414 WeakPolarHBondContact O-CB 3.39Å; G410-Q414 PolarHBondContact O-N 3.27Å
411	N	94.6	Very high	96	Very high	44 Å²	44	51.7 Å²	51.7	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-38	175.3	-177.9	42.2	0	0	0	112.1	F407 V408 L409 K415 V500	F407-N411 WeakPolarHBondContact O-CB 3.44Å; F407-N411 PolarHBondContact O-N 3.47Å; V408-N411 PolarHBondContact O-N 3Å; L409-N411 PolarHBondContact O-N 2.96Å; N411-K415 WeakPolarHBondContact O-CB 3.49Å; N411-K415 WeakPolarHBondContact O-CE 3.34Å; N411-K415 VanDerWaalsContact O-CG 3.27Å; N411-K415 WeakPolarHBondContact O-CG 3.29Å; N411-K415 PolarHBondContact O-N 2.76Å; N411-K415 VanDerWaalsContact O-N 3.09Å; N411-V500 VanDerWaalsContact OD1-CG2 3.27Å; N411-V500 WeakPolarHBondContact OD1-CG2 3.34Å
412	L	95	Very high	96	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-67.6	-43.2	175.1	-69.8	171	0	0	0	112	N304 Y306 V408 L409 G410 Q414 K415 A416 M438 I496	N304-L412 WeakPolarHBondContact ND2-CD1 3.39Å; Y306-L412 HydrophobicContact CD1-CB 4.36Å; Y306-L412 HydrophobicContact CE1-CB 3.5Å; Y306-L412 VanDerWaalsContact CE1-CB 3.5Å; Y306-L412 HydrophobicContact CE1-CD1 4.45Å; V408-L412 HydrophobicContact CG1-CD1 3.95Å; V408-L412 VanDerWaalsContact O-CG 3.26Å; V408-L412 WeakPolarHBondContact O-CG 3.3Å; V408-L412 PolarHBondContact O-N 2.9Å; L409-L412 PolarHBondContact O-N 2.73Å; G410-L412 PolarHBondContact O-N 2.87Å; L412-Q414 VanDerWaalsContact C-N 3.35Å; L412-Q414 PolarHBondContact O-N 3.1Å; L412-K415 PolarHBondContact O-N 3.27Å; L412-A416 WeakPolarHBondContact O-CB 3.35Å; L412-A416 PolarHBondContact O-N 3.18Å; L412-M438 HydrophobicContact CD1-CE 3.91Å; L412-M438 HydrophobicContact CD1-SD 3.75Å; L412-M438 HydrophobicContact CD2-CE 3.29Å; L412-M438 HydrophobicContact CD2-SD 3.83Å; L412-M438 HydrophobicContact CG-CE 4.25Å; L412-M438 HydrophobicContact CG-SD 4.37Å; L412-I496 HydrophobicContact CD2-CD1 4.37Å; L412-I496 HydrophobicContact CD2-CG1 4.4Å
413	A	95.9	Very high	96.1	Very high	30 Å²	30	50.9 Å²	50.9	25%	0.248	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-43.6	175.1	0	0	0	0	0	112	Y306 L409 G410 K415 A416 K417	Y306-A413 HydrophobicContact CD1-CB 3.89Å; Y306-A413 HydrophobicContact CG-CB 4.08Å; L409-A413 WeakPolarHBondContact O-CB 3.4Å; L409-A413 PolarHBondContact O-N 3.18Å; G410-A413 PolarHBondContact O-N 3.23Å; A413-K415 VanDerWaalsContact C-N 3.33Å; A413-K415 PolarHBondContact O-N 2.9Å; A413-A416 WeakPolarHBondContact O-CB 3.31Å; A413-A416 PolarHBondContact O-N 3.44Å; A413-K417 PolarHBondContact O-N 3.16Å
414	Q	96.8	Very high	96.1	Very high	113 Å²	113	46.7 Å²	46.7	53%	0.528	24%	0.239	S	C	.	.	H	α-helix	trans	-59.1	-44.7	175	-175.7	-174.9	10.5	0	0	111.7	G410 L412 L418	G410-Q414 WeakPolarHBondContact O-CB 3.39Å; G410-Q414 PolarHBondContact O-N 3.27Å; L412-Q414 VanDerWaalsContact C-N 3.35Å; L412-Q414 PolarHBondContact O-N 3.1Å; Q414-L418 WeakPolarHBondContact O-CB 3.34Å; Q414-L418 PolarHBondContact O-N 3.44Å
415	K	96.8	Very high	96.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-70.5	-34.1	179.9	-72.8	-173.6	-66.2	161.8	0	113.1	N411 L412 A413 T419 I496 L497 P498 V500 L503	N411-K415 WeakPolarHBondContact O-CB 3.49Å; N411-K415 WeakPolarHBondContact O-CE 3.34Å; N411-K415 VanDerWaalsContact O-CG 3.27Å; N411-K415 WeakPolarHBondContact O-CG 3.29Å; N411-K415 PolarHBondContact O-N 2.76Å; N411-K415 VanDerWaalsContact O-N 3.09Å; L412-K415 PolarHBondContact O-N 3.27Å; A413-K415 VanDerWaalsContact C-N 3.33Å; A413-K415 PolarHBondContact O-N 2.9Å; K415-T419 WeakPolarHBondContact O-CB 2.74Å; K415-T419 PolarHBondContact O-N 3.06Å; K415-T419 PolarHBondContact O-OG1 3.06Å; K415-I496 HydrophobicContact CB-CB 4.25Å; K415-I496 VanDerWaalsContact CD-O 3.31Å; K415-I496 WeakPolarHBondContact CD-O 3.46Å; K415-I496 WeakPolarHBondContact CE-O 3.29Å; K415-I496 PolarHBondContact NZ-O 2.79Å; K415-L497 PolarHBondContact NZ-O 2.88Å; K415-P498 WeakPolarHBondContact CD-O 3.49Å; K415-P498 PolarHBondContact NZ-O 2.79Å; K415-V500 HydrophobicContact CD-CG2 4.06Å; K415-V500 HydrophobicContact CG-CG2 3.77Å; K415-L503 HydrophobicContact CB-CD2 3.59Å; K415-L503 HydrophobicContact CD-CD2 3.96Å; K415-L503 HydrophobicContact CG-CD2 3.72Å
416	A	97.1	Very high	96.4	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-54.4	172.8	0	0	0	0	0	110.3	Y306 L412 A413 L418 T419 E420 L434 I496	Y306-A416 HydrophobicContact CD2-CB 3.8Å; Y306-A416 HydrophobicContact CE2-CB 4.25Å; Y306-A416 HydrophobicContact CG-CB 4.44Å; L412-A416 WeakPolarHBondContact O-CB 3.35Å; L412-A416 PolarHBondContact O-N 3.18Å; A413-A416 WeakPolarHBondContact O-CB 3.31Å; A413-A416 PolarHBondContact O-N 3.44Å; A416-L418 PolarHBondContact O-N 3Å; A416-T419 WeakPolarHBondContact O-CB 3.47Å; A416-T419 PolarHBondContact O-N 3.16Å; A416-E420 PolarHBondContact O-N 3.02Å; A416-L434 HydrophobicContact CB-CB 3.74Å; A416-L434 HydrophobicContact CB-CD2 4.17Å; A416-I496 HydrophobicContact CB-CD1 3.94Å
417	K	97.2	Very high	96.6	Very high	117 Å²	117	47.3 Å²	47.3	51%	0.509	25%	0.25	S	S	.	.	H	α-helix	trans	-59.8	-45.8	177.4	179.3	161.4	-178.7	48.6	0	112.8	A413 T419 E420 D421	A413-K417 PolarHBondContact O-N 3.16Å; K417-T419 PolarHBondContact O-N 3.45Å; K417-E420 PolarHBondContact O-N 3.3Å; K417-D421 WeakPolarHBondContact CE-OD2 3.32Å; K417-D421 WeakPolarHBondContact CG-OD2 3.45Å; K417-D421 VanDerWaalsContact NZ-CG 3.32Å; K417-D421 IonicContact NZ-OD1 3.25Å; K417-D421 PolarHBondContact NZ-OD1 3.14Å; K417-D421 IonicContact NZ-OD2 2.56Å; K417-D421 PolarHBondContact NZ-OD2 3.36Å; K417-D421 VanDerWaalsContact O-CB 3.31Å; K417-D421 WeakPolarHBondContact O-CB 3.49Å; K417-D421 PolarHBondContact O-N 3.48Å
418	L	97.9	Very high	96.7	Very high	43 Å²	43	41.8 Å²	41.8	23%	0.225	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-39.9	177.3	177.3	68	0	0	0	112.3	Q414 A416 L422 V500 L503 K504 L507	Q414-L418 WeakPolarHBondContact O-CB 3.34Å; Q414-L418 PolarHBondContact O-N 3.44Å; A416-L418 PolarHBondContact O-N 3Å; L418-L422 WeakPolarHBondContact O-CB 3.46Å; L418-L422 PolarHBondContact O-N 3.12Å; L418-L422 VanDerWaalsContact O-N 3.11Å; L418-V500 HydrophobicContact CD2-CG1 4.33Å; L418-L503 HydrophobicContact CD2-CD2 4.39Å; L418-K504 HydrophobicContact CD2-CG 3.72Å; L418-L507 HydrophobicContact CD2-CD1 4.34Å; L418-L507 HydrophobicContact CG-CD1 4.04Å
419	T	98	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.5	-48.4	-179.2	-60.8	0	0	0	0	111.2	K415 A416 K417 F423 L434 A440 M494 I496 L507	K415-T419 WeakPolarHBondContact O-CB 2.74Å; K415-T419 PolarHBondContact O-N 3.06Å; K415-T419 PolarHBondContact O-OG1 3.06Å; A416-T419 WeakPolarHBondContact O-CB 3.47Å; A416-T419 PolarHBondContact O-N 3.16Å; K417-T419 PolarHBondContact O-N 3.45Å; T419-F423 HydrophobicContact CG2-CD2 3.68Å; T419-F423 HydrophobicContact CG2-CE2 3.52Å; T419-F423 WeakPolarHBondContact O-CD2 3.42Å; T419-F423 PolarHBondContact O-N 2.79Å; T419-L434 HydrophobicContact CG2-CD2 4.49Å; T419-A440 HydrophobicContact CG2-CB 3.89Å; T419-M494 HydrophobicContact CG2-CE 3.48Å; T419-M494 VanDerWaalsContact CG2-CE 3.48Å; T419-I496 HydrophobicContact CG2-CG2 4.42Å; T419-L507 HydrophobicContact CG2-CD2 4.15Å
420	E	97.5	Very high	97.2	Very high	43 Å²	43	45.2 Å²	45.2	20%	0.201	25%	0.249	C	C	.	.	H	α-helix	trans	-58.1	-53.9	175.4	-179.5	-171.4	159.5	0	0	111.3	A416 K417 L422 F423 N424 P433 L434	A416-E420 PolarHBondContact O-N 3.02Å; K417-E420 PolarHBondContact O-N 3.3Å; E420-L422 VanDerWaalsContact C-N 3.3Å; E420-L422 PolarHBondContact O-N 3.23Å; E420-F423 PolarHBondContact O-N 2.82Å; E420-N424 WeakPolarHBondContact O-CB 3.26Å; E420-N424 PolarHBondContact O-N 3.26Å; E420-N424 PolarHBondContact O-ND2 2.64Å; E420-P433 WeakPolarHBondContact OE2-CA 3.06Å; E420-L434 HydrophobicContact CB-CD1 4.25Å
421	D	97.8	Very high	97.4	Very high	58 Å²	58	43.3 Å²	43.3	31%	0.31	23%	0.229	S	C	.	.	H	α-helix	trans	-57.6	-44.1	-177	-72.3	-14.1	0	0	0	110.7	K417 Q425	K417-D421 WeakPolarHBondContact CE-OD2 3.32Å; K417-D421 WeakPolarHBondContact CG-OD2 3.45Å; K417-D421 VanDerWaalsContact NZ-CG 3.32Å; K417-D421 IonicContact NZ-OD1 3.25Å; K417-D421 PolarHBondContact NZ-OD1 3.14Å; K417-D421 IonicContact NZ-OD2 2.56Å; K417-D421 PolarHBondContact NZ-OD2 3.36Å; K417-D421 VanDerWaalsContact O-CB 3.31Å; K417-D421 WeakPolarHBondContact O-CB 3.49Å; K417-D421 PolarHBondContact O-N 3.48Å; D421-Q425 VanDerWaalsContact O-CD 3.32Å; D421-Q425 WeakPolarHBondContact O-CG 3.39Å; D421-Q425 PolarHBondContact O-N 3.26Å; D421-Q425 PolarHBondContact O-NE2 2.98Å
422	L	97.9	Very high	97.6	Very high	19 Å²	19	42 Å²	42	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-71.2	-45.9	-178.2	-171.1	150.5	0	0	0	111.8	L418 E420 N424 Q425 V426 L507 K511	L418-L422 WeakPolarHBondContact O-CB 3.46Å; L418-L422 PolarHBondContact O-N 3.12Å; L418-L422 VanDerWaalsContact O-N 3.11Å; E420-L422 VanDerWaalsContact C-N 3.3Å; E420-L422 PolarHBondContact O-N 3.23Å; L422-N424 VanDerWaalsContact C-N 3.32Å; L422-N424 PolarHBondContact O-N 3.16Å; L422-Q425 WeakPolarHBondContact O-CB 3.21Å; L422-Q425 PolarHBondContact O-N 3.32Å; L422-Q425 VanDerWaalsContact O-N 3.13Å; L422-V426 HydrophobicContact CD2-CG2 4.23Å; L422-V426 WeakPolarHBondContact O-CG2 3.31Å; L422-L507 HydrophobicContact CB-CD1 4.27Å; L422-L507 HydrophobicContact CD1-CB 3.47Å; L422-L507 VanDerWaalsContact CD1-CB 3.47Å; L422-L507 HydrophobicContact CD1-CD1 4.09Å; L422-L507 HydrophobicContact CD1-CG 4.36Å; L422-L507 HydrophobicContact CD2-CB 3.77Å; L422-L507 HydrophobicContact CD2-CD2 4.41Å; L422-L507 HydrophobicContact CG-CB 4.12Å; L422-K511 HydrophobicContact CD2-CB 4.48Å
423	F	98.2	Very high	97.7	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-40.7	179.6	-78.3	-37.7	0	0	0	112.5	T419 E420 Q425 V426 I429 C431 A440 P442 F492 M494 L507 V510	T419-F423 HydrophobicContact CG2-CD2 3.68Å; T419-F423 HydrophobicContact CG2-CE2 3.52Å; T419-F423 WeakPolarHBondContact O-CD2 3.42Å; T419-F423 PolarHBondContact O-N 2.79Å; E420-F423 PolarHBondContact O-N 2.82Å; F423-Q425 PolarHBondContact O-N 3.38Å; F423-V426 PolarHBondContact O-N 2.9Å; F423-I429 HydrophobicContact CB-CG2 3.84Å; F423-I429 HydrophobicContact CD1-CD1 4.22Å; F423-I429 HydrophobicContact CD1-CG2 4.06Å; F423-I429 HydrophobicContact CG-CG2 4.1Å; F423-C431 HydrophobicContact CB-CB 3.83Å; F423-C431 HydrophobicContact CD2-CB 4.27Å; F423-A440 HydrophobicContact CE2-CB 4.37Å; F423-P442 HydrophobicContact CD2-CB 4.17Å; F423-P442 HydrophobicContact CD2-CG 4.12Å; F423-P442 HydrophobicContact CE2-CB 4.42Å; F423-P442 HydrophobicContact CE2-CG 3.87Å; F423-P442 HydrophobicContact CG-CB 4.48Å; F423-P442 HydrophobicContact CZ-CG 4.27Å; F423-F492 HydrophobicContact CE1-CZ 4.03Å; F423-F492 AromaticContact CZ-CE2 3.98Å; F423-F492 HydrophobicContact CZ-CE2 3.98Å; F423-F492 AromaticContact CZ-CZ 3.78Å; F423-F492 HydrophobicContact CZ-CZ 3.78Å; F423-M494 HydrophobicContact CE2-CE 3.37Å; F423-M494 HydrophobicContact CE2-SD 4.36Å; F423-M494 HydrophobicContact CZ-CE 3.36Å; F423-M494 HydrophobicContact CZ-SD 3.83Å; F423-L507 HydrophobicContact CE1-CD2 4Å; F423-L507 HydrophobicContact CE2-CD2 4.14Å; F423-L507 HydrophobicContact CZ-CD2 3.8Å; F423-V510 HydrophobicContact CE1-CG1 3.89Å
424	N	98.4	Very high	97.8	Very high	67 Å²	67	42.8 Å²	42.8	36%	0.358	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.8	178.3	-73	-31.2	0	0	0	114.1	E420 L422 C431	E420-N424 WeakPolarHBondContact O-CB 3.26Å; E420-N424 PolarHBondContact O-N 3.26Å; E420-N424 PolarHBondContact O-ND2 2.64Å; L422-N424 VanDerWaalsContact C-N 3.32Å; L422-N424 PolarHBondContact O-N 3.16Å; N424-C431 PolarHBondContact ND2-O 2.86Å; N424-C431 PolarHBondContact OD1-N 2.8Å; N424-C431 PolarHBondContact OD1-O 2.92Å
425	Q	97.9	Very high	97.9	Very high	136 Å²	136	38.7 Å²	38.7	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.8	170.9	-69.3	166.9	41	0	0	113.3	D421 L422 F423	D421-Q425 VanDerWaalsContact O-CD 3.32Å; D421-Q425 WeakPolarHBondContact O-CG 3.39Å; D421-Q425 PolarHBondContact O-N 3.26Å; D421-Q425 PolarHBondContact O-NE2 2.98Å; L422-Q425 WeakPolarHBondContact O-CB 3.21Å; L422-Q425 PolarHBondContact O-N 3.32Å; L422-Q425 VanDerWaalsContact O-N 3.13Å; F423-Q425 PolarHBondContact O-N 3.38Å
426	V	98.1	Very high	97.9	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.024	20%	0.204	C	C	.	.	S	Bend	trans	-96.6	118.1	-179	-176.3	0	0	0	0	109.6	L422 F423 G428 I429 K511 H514	L422-V426 HydrophobicContact CD2-CG2 4.23Å; L422-V426 WeakPolarHBondContact O-CG2 3.31Å; F423-V426 PolarHBondContact O-N 2.9Å; V426-G428 PolarHBondContact O-N 3.19Å; V426-I429 HydrophobicContact CB-CB 4.24Å; V426-I429 HydrophobicContact CB-CD1 4.19Å; V426-I429 HydrophobicContact CB-CG1 4.2Å; V426-I429 HydrophobicContact CG1-CD1 3.94Å; V426-I429 HydrophobicContact CG1-CG1 4.01Å; V426-I429 PolarHBondContact O-N 3.04Å; V426-K511 HydrophobicContact CG1-CG 4.37Å; V426-K511 HydrophobicContact CG2-CB 3.89Å; V426-K511 HydrophobicContact CG2-CD 3.95Å; V426-K511 HydrophobicContact CG2-CG 3.69Å; V426-H514 HydrophobicContact CG1-CB 4.43Å
427	P	97.6	Very high	97.8	Very high	89 Å²	89	38.4 Å²	38.4	58%	0.578	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	131.4	174	-25.5	34.1	0	0	0	111.2	I429 H514	P427-I429 VanDerWaalsContact C-N 3.34Å; P427-H514 PolarHBondContact O-CD2 3.49Å; P427-H514 VanDerWaalsContact O-CD2 3.29Å; P427-H514 PolarHBondContact O-NE2 3.09Å; P427-H514 VanDerWaalsContact O-NE2 3.11Å
428	G	97.6	Very high	97.8	Very high	28 Å²	28	33.2 Å²	33.2	29%	0.289	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	0.5	-177.8	0	0	0	0	0	114.9	V426 I444 L445	V426-G428 PolarHBondContact O-N 3.19Å; G428-I444 CarbonylContact O-C 3.23Å; G428-I444 WeakPolarHBondContact O-CA 3.27Å; G428-L445 WeakPolarHBondContact O-CB 3.33Å; G428-L445 PolarHBondContact O-N 3.33Å
429	I	98.6	Very high	97.7	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.067	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.4	170.1	-52.6	-170	0	0	0	109.6	F423 V426 P427 P442 R443 I444 H514	F423-I429 HydrophobicContact CB-CG2 3.84Å; F423-I429 HydrophobicContact CD1-CD1 4.22Å; F423-I429 HydrophobicContact CD1-CG2 4.06Å; F423-I429 HydrophobicContact CG-CG2 4.1Å; V426-I429 HydrophobicContact CB-CB 4.24Å; V426-I429 HydrophobicContact CB-CD1 4.19Å; V426-I429 HydrophobicContact CB-CG1 4.2Å; V426-I429 HydrophobicContact CG1-CD1 3.94Å; V426-I429 HydrophobicContact CG1-CG1 4.01Å; V426-I429 PolarHBondContact O-N 3.04Å; P427-I429 VanDerWaalsContact C-N 3.34Å; I429-P442 HydrophobicContact CG2-CB 3.78Å; I429-R443 WeakPolarHBondContact CA-O 3.5Å; I429-I444 HydrophobicContact CD1-CG2 4.44Å; I429-I444 HydrophobicContact CG1-CG2 4.17Å; I429-H514 HydrophobicContact CD1-CB 4.17Å
430	H	98.5	Very high	97.7	Very high	95 Å²	95	31.5 Å²	31.5	44%	0.44	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.9	168.3	179.2	-98.9	0	0	0	109.3	N432 P442 R443	H430-N432 PolarHBondContact CE1-OD1 2.89Å; H430-N432 VanDerWaalsContact CE1-OD1 3.29Å; H430-P442 CarbonylContact O-C 3.57Å; H430-P442 VanDerWaalsContact O-CA 3.28Å; H430-P442 WeakPolarHBondContact O-CA 3.37Å; H430-R443 PolarHBondContact N-O 3.12Å; H430-R443 PolarHBondContact O-N 2.91Å
431	C	98.4	Very high	97.7	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.02	16%	0.163	C	C	.	.			trans	-131	120.8	178.3	-166.6	0	0	0	0	110.2	F423 N424 P442	F423-C431 HydrophobicContact CB-CB 3.83Å; F423-C431 HydrophobicContact CD2-CB 4.27Å; N424-C431 PolarHBondContact ND2-O 2.86Å; N424-C431 PolarHBondContact OD1-N 2.8Å; N424-C431 PolarHBondContact OD1-O 2.92Å; C431-P442 HydrophobicContact CB-CB 4.14Å
432	N	98.3	Very high	97.8	Very high	17 Å²	17	27 Å²	27	9%	0.091	15%	0.148	C	C	.	.			trans	-60.3	158.4	169	-80.8	-2.1	0	0	0	111.6	E236 W240 H430 L434	E236-N432 PolarHBondContact O-ND2 2.91Å; W240-N432 PolarHBondContact NE1-ND2 3.45Å; W240-N432 VanDerWaalsContact NE1-ND2 3.17Å; H430-N432 PolarHBondContact CE1-OD1 2.89Å; H430-N432 VanDerWaalsContact CE1-OD1 3.29Å; N432-L434 PolarHBondContact O-N 3.19Å
433	P	98	Very high	97.8	Very high	41 Å²	41	30.1 Å²	30.1	27%	0.266	16%	0.159	S	C	.	.			trans	-57.1	133.9	177.2	-25.2	34.7	0	0	0	113	E420 Q435	E420-P433 WeakPolarHBondContact OE2-CA 3.06Å; P433-Q435 HydrophobicContact CB-CG 4.27Å; P433-Q435 PolarHBondContact O-N 2.73Å; P433-Q435 VanDerWaalsContact O-N 3.1Å
434	L	97.5	Very high	97.8	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	16%	0.16	C	C	.	.			trans	-84.6	81.9	174.7	-84.4	76.3	0	0	0	109.6	A416 T419 E420 N432 G436 A440 I496	A416-L434 HydrophobicContact CB-CB 3.74Å; A416-L434 HydrophobicContact CB-CD2 4.17Å; T419-L434 HydrophobicContact CG2-CD2 4.49Å; E420-L434 HydrophobicContact CB-CD1 4.25Å; N432-L434 PolarHBondContact O-N 3.19Å; L434-G436 VanDerWaalsContact C-N 3.33Å; L434-G436 PolarHBondContact O-N 2.93Å; L434-A440 HydrophobicContact CD1-CB 3.84Å; L434-A440 HydrophobicContact CD2-CB 3.88Å; L434-A440 HydrophobicContact CG-CB 4.23Å; L434-I496 HydrophobicContact CD2-CG2 3.48Å; L434-I496 VanDerWaalsContact CD2-CG2 3.48Å
435	Q	97.9	Very high	97.8	Very high	27 Å²	27	32.5 Å²	32.5	13%	0.126	17%	0.171	C	C	.	.			trans	-72.1	-26.3	-175.8	-62.5	168.5	-23.1	0	0	113.4	G273 Q274 V275 Y306 S307 P433	G273-Q435 CarbonylContact O-C 3.56Å; G273-Q435 PolarHBondContact O-N 3.29Å; Q274-Q435 VanDerWaalsContact CA-OE1 3.3Å; V275-Q435 HydrophobicContact CB-CB 4.12Å; V275-Q435 HydrophobicContact CG2-CB 3.73Å; V275-Q435 PolarHBondContact O-OE1 3.4Å; Y306-Q435 PolarHBondContact N-O 2.86Å; S307-Q435 PolarHBondContact N-O 3.07Å; S307-Q435 WeakPolarHBondContact OG-CA 3.22Å; P433-Q435 HydrophobicContact CB-CG 4.27Å; P433-Q435 PolarHBondContact O-N 2.73Å; P433-Q435 VanDerWaalsContact O-N 3.1Å
436	G	97.1	Very high	97.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-169.2	-162.9	-177.3	0	0	0	0	0	114.4	G273 N304 L434	G273-G436 PolarHBondContact O-N 2.83Å; N304-G436 CarbonylContact O-C 3.6Å; N304-G436 WeakPolarHBondContact O-CA 3.27Å; L434-G436 VanDerWaalsContact C-N 3.33Å; L434-G436 PolarHBondContact O-N 2.93Å
437	A	96.5	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-145.1	-175.5	0	0	0	0	0	112.5	P268 G269 Y301 N304 Y306	P268-A437 HydrophobicContact CB-CB 4.28Å; G269-A437 WeakPolarHBondContact O-CB 3.36Å; Y301-A437 HydrophobicContact CD1-CB 3.92Å; Y301-A437 HydrophobicContact CD2-CB 3.68Å; Y301-A437 HydrophobicContact CE1-CB 4.31Å; Y301-A437 HydrophobicContact CE2-CB 4.11Å; Y301-A437 HydrophobicContact CG-CB 3.58Å; N304-A437 PolarHBondContact O-N 3.16Å; Y306-A437 WeakPolarHBondContact CE2-O 3.48Å; Y306-A437 VanDerWaalsContact CZ-O 3.22Å; Y306-A437 PolarHBondContact OH-O 2.56Å
438	M	95.6	Very high	97.7	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.034	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.1	14.3	-172.2	-58.4	-65.8	-73.5	0	0	113.1	Y301 N304 Y306 L412 T495 I496 L497	Y301-M438 HydrophobicContact CD1-CG 4.18Å; Y301-M438 HydrophobicContact CE1-CB 4.24Å; Y301-M438 HydrophobicContact CE1-CG 3.54Å; N304-M438 PolarHBondContact ND2-SD 2.92Å; Y306-M438 PolarHBondContact OH-SD 3.43Å; L412-M438 HydrophobicContact CD1-CE 3.91Å; L412-M438 HydrophobicContact CD1-SD 3.75Å; L412-M438 HydrophobicContact CD2-CE 3.29Å; L412-M438 HydrophobicContact CD2-SD 3.83Å; L412-M438 HydrophobicContact CG-CE 4.25Å; L412-M438 HydrophobicContact CG-SD 4.37Å; M438-T495 WeakPolarHBondContact O-CA 3.43Å; M438-T495 PolarHBondContact O-OG1 2.95Å; M438-I496 PolarHBondContact O-N 2.78Å; M438-L497 HydrophobicContact CE-CD1 4.37Å; M438-L497 HydrophobicContact CE-CD2 3.03Å; M438-L497 HydrophobicContact CE-CG 3.47Å; M438-L497 VanDerWaalsContact CE-CG 3.47Å
439	Y	97.1	Very high	97.7	Very high	8 Å²	8	31 Å²	31	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.6	-168.1	-49.6	-69.1	0	0	0	112	G96 N270 P271 Y301 R493 M494	G96-Y439 VanDerWaalsContact CA-OH 3.23Å; G96-Y439 WeakPolarHBondContact CA-OH 3.48Å; G96-Y439 PolarHBondContact N-OH 2.8Å; N270-Y439 HydrophobicContact CB-CD2 4.14Å; N270-Y439 HydrophobicContact CB-CE2 4.15Å; N270-Y439 VanDerWaalsContact CG-CE2 3.49Å; N270-Y439 WeakPolarHBondContact OD1-CD2 3.43Å; N270-Y439 WeakPolarHBondContact OD1-CE2 3.47Å; P271-Y439 WeakPolarHBondContact O-CB 3.39Å; Y301-Y439 HydrophobicContact CE2-CE2 4.18Å; Y301-Y439 AromaticContact CZ-CE2 3.82Å; Y301-Y439 WeakPolarHBondContact OH-CE2 3.45Å; Y301-Y439 PolarHBondContact OH-OH 3Å; Y301-Y439 VanDerWaalsContact OH-OH 3.14Å; Y439-R493 HydrophobicContact CD1-CG 4.09Å; Y439-R493 HydrophobicContact CG-CG 4.09Å; Y439-M494 CarbonylContact C-O 3.51Å; Y439-M494 VanDerWaalsContact CA-O 3.27Å; Y439-M494 WeakPolarHBondContact CA-O 3.16Å
440	A	96.9	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	150.1	160.4	0	0	0	0	0	109.1	T419 F423 L434 P442 R493 M494	T419-A440 HydrophobicContact CG2-CB 3.89Å; F423-A440 HydrophobicContact CE2-CB 4.37Å; L434-A440 HydrophobicContact CD1-CB 3.84Å; L434-A440 HydrophobicContact CD2-CB 3.88Å; L434-A440 HydrophobicContact CG-CB 4.23Å; A440-P442 VanDerWaalsContact C-CD 3.46Å; A440-R493 WeakPolarHBondContact O-CA 3.45Å; A440-M494 PolarHBondContact N-O 3.4Å; A440-M494 PolarHBondContact O-N 2.82Å; A440-M494 VanDerWaalsContact O-N 3.08Å
441	F	98.6	Very high	97.6	Very high	5 Å²	5	27 Å²	27	2%	0.022	14%	0.144	C	C	.	.			trans	-129.9	64.6	171	-158.6	-113.7	0	0	0	110.8	P213 W240 P271 T272 F483 H491 R493	P213-F441 HydrophobicContact CB-CD1 4.36Å; P213-F441 HydrophobicContact CB-CE1 3.78Å; P213-F441 HydrophobicContact CB-CZ 4.01Å; P213-F441 HydrophobicContact CG-CD1 3.8Å; P213-F441 HydrophobicContact CG-CE1 3.3Å; P213-F441 HydrophobicContact CG-CZ 4.03Å; W240-F441 HydrophobicContact CH2-CD1 4.48Å; W240-F441 HydrophobicContact CZ2-CD1 4.05Å; P271-F441 HydrophobicContact CB-CB 4.37Å; P271-F441 HydrophobicContact CB-CD2 3.61Å; P271-F441 HydrophobicContact CB-CE2 4.07Å; P271-F441 HydrophobicContact CB-CG 4.12Å; P271-F441 HydrophobicContact CG-CB 4.44Å; P271-F441 HydrophobicContact CG-CD1 4.3Å; P271-F441 HydrophobicContact CG-CD2 3.57Å; P271-F441 HydrophobicContact CG-CE1 4.42Å; P271-F441 HydrophobicContact CG-CE2 3.71Å; P271-F441 HydrophobicContact CG-CG 3.86Å; P271-F441 HydrophobicContact CG-CZ 4.12Å; T272-F441 HydrophobicContact CG2-CB 4.48Å; T272-F441 HydrophobicContact CG2-CD1 4.38Å; F441-F483 HydrophobicContact CE2-CB 4.44Å; F441-F483 AromaticContact CE2-CD2 3.64Å; F441-F483 HydrophobicContact CE2-CD2 3.64Å; F441-F483 HydrophobicContact CE2-CE2 4.15Å; F441-F483 HydrophobicContact CE2-CG 4.18Å; F441-F483 HydrophobicContact CZ-CB 4.28Å; F441-F483 HydrophobicContact CZ-CD2 4.17Å; F441-F483 HydrophobicContact CZ-CG 4.5Å; F441-H491 HydrophobicContact CD1-CB 3.78Å; F441-H491 AromaticContact CD1-CD2 3.68Å; F441-H491 AromaticContact CD1-CG 3.76Å; F441-H491 HydrophobicContact CD2-CB 4.3Å; F441-H491 HydrophobicContact CE1-CB 3.33Å; F441-H491 AromaticContact CE1-CD2 3.75Å; F441-H491 AromaticContact CE1-CG 3.38Å; F441-H491 AromaticContact CE1-ND1 3.87Å; F441-H491 HydrophobicContact CE2-CB 3.92Å; F441-H491 HydrophobicContact CG-CB 4.26Å; F441-H491 HydrophobicContact CZ-CB 3.44Å; F441-H491 VanDerWaalsContact CZ-CB 3.44Å; F441-R493 HydrophobicContact CD2-CB 3.89Å; F441-R493 HydrophobicContact CE2-CB 4.22Å
442	P	98.6	Very high	97.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.			trans	-62	140	-179.2	26.6	-37.9	0	0	0	111.8	F423 I429 H430 C431 A440 H491 F492	F423-P442 HydrophobicContact CD2-CB 4.17Å; F423-P442 HydrophobicContact CD2-CG 4.12Å; F423-P442 HydrophobicContact CE2-CB 4.42Å; F423-P442 HydrophobicContact CE2-CG 3.87Å; F423-P442 HydrophobicContact CG-CB 4.48Å; F423-P442 HydrophobicContact CZ-CG 4.27Å; I429-P442 HydrophobicContact CG2-CB 3.78Å; H430-P442 CarbonylContact O-C 3.57Å; H430-P442 VanDerWaalsContact O-CA 3.28Å; H430-P442 WeakPolarHBondContact O-CA 3.37Å; C431-P442 HydrophobicContact CB-CB 4.14Å; A440-P442 VanDerWaalsContact C-CD 3.46Å; P442-H491 VanDerWaalsContact O-CA 3.25Å; P442-H491 WeakPolarHBondContact O-CA 3.45Å; P442-H491 WeakPolarHBondContact O-CB 3.44Å; P442-F492 VanDerWaalsContact CD-O 3.22Å; P442-F492 WeakPolarHBondContact CD-O 3.28Å; P442-F492 HydrophobicContact CG-CD1 4.22Å; P442-F492 HydrophobicContact CG-CD2 4.19Å; P442-F492 HydrophobicContact CG-CE1 3.75Å; P442-F492 HydrophobicContact CG-CE2 3.72Å; P442-F492 HydrophobicContact CG-CG 4.43Å; P442-F492 HydrophobicContact CG-CZ 3.48Å; P442-F492 VanDerWaalsContact CG-CZ 3.48Å; P442-F492 PolarHBondContact O-N 3.46Å
443	R	98.8	Very high	97.6	Very high	86 Å²	86	32.8 Å²	32.8	33%	0.325	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.4	166.3	-176.3	167.9	171.3	-175.3	-1.5	109.5	E236 E237 I429 H430 Y490 H491	E236-R443 VanDerWaalsContact OE1-CB 3.29Å; E236-R443 WeakPolarHBondContact OE1-CB 3.49Å; E236-R443 WeakPolarHBondContact OE1-CD 3.33Å; E236-R443 IonicContact OE2-NH1 3.41Å; E237-R443 IonicContact OE1-NH1 2.87Å; I429-R443 WeakPolarHBondContact CA-O 3.5Å; H430-R443 PolarHBondContact N-O 3.12Å; H430-R443 PolarHBondContact O-N 2.91Å; R443-Y490 WeakPolarHBondContact CA-O 3.36Å; R443-H491 WeakPolarHBondContact CA-CD2 3.36Å
444	I	98.3	Very high	97.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.9	177.6	56	172.6	0	0	0	110.5	G428 I429 I446 Y465 Y490 F492	G428-I444 CarbonylContact O-C 3.23Å; G428-I444 WeakPolarHBondContact O-CA 3.27Å; I429-I444 HydrophobicContact CD1-CG2 4.44Å; I429-I444 HydrophobicContact CG1-CG2 4.17Å; I444-I446 HydrophobicContact CD1-CD1 3.79Å; I444-I446 HydrophobicContact CD1-CG1 3.94Å; I444-I446 HydrophobicContact CG1-CD1 4.19Å; I444-I446 HydrophobicContact CG1-CG1 4.01Å; I444-I446 PolarHBondContact O-N 3.04Å; I444-Y465 HydrophobicContact CD1-CD1 3.56Å; I444-Y465 HydrophobicContact CD1-CD2 4.04Å; I444-Y465 HydrophobicContact CD1-CE1 3.87Å; I444-Y465 HydrophobicContact CD1-CE2 4.32Å; I444-Y465 HydrophobicContact CD1-CG 3.65Å; I444-Y490 WeakPolarHBondContact CG1-O 3.28Å; I444-Y490 PolarHBondContact N-O 3.46Å; I444-F492 HydrophobicContact CD1-CD1 4.3Å; I444-F492 HydrophobicContact CG2-CD1 3.91Å; I444-F492 HydrophobicContact CG2-CE1 3.62Å
445	L	97.1	Very high	97.5	Very high	113 Å²	113	36.6 Å²	36.6	59%	0.592	19%	0.188	S	C	*	.			trans	-75.1	118	166	-175.7	71.5	0	0	0	108.1	G428	G428-L445 WeakPolarHBondContact O-CB 3.33Å; G428-L445 PolarHBondContact O-N 3.33Å
446	I	97.7	Very high	97.5	Very high	13 Å²	13	39.6 Å²	39.6	7%	0.067	21%	0.211	C	C	.	.			trans	-109.9	114.7	172.9	-59.5	-174.4	0	0	0	107.7	I444 A450 V451 P461 D462 Y490 F517	I444-I446 HydrophobicContact CD1-CD1 3.79Å; I444-I446 HydrophobicContact CD1-CG1 3.94Å; I444-I446 HydrophobicContact CG1-CD1 4.19Å; I444-I446 HydrophobicContact CG1-CG1 4.01Å; I444-I446 PolarHBondContact O-N 3.04Å; I446-A450 HydrophobicContact CG2-CB 3.52Å; I446-V451 HydrophobicContact CG2-CG2 3.91Å; I446-P461 HydrophobicContact CD1-CB 3.84Å; I446-P461 HydrophobicContact CG2-CB 4.26Å; I446-D462 HydrophobicContact CD1-CB 4.49Å; I446-Y490 HydrophobicContact CB-CD2 3.78Å; I446-Y490 HydrophobicContact CB-CE2 4.15Å; I446-Y490 HydrophobicContact CB-CG 4.47Å; I446-Y490 HydrophobicContact CD1-CD1 4.32Å; I446-Y490 HydrophobicContact CD1-CD2 3.9Å; I446-Y490 HydrophobicContact CD1-CG 3.68Å; I446-Y490 HydrophobicContact CG1-CD2 3.87Å; I446-Y490 HydrophobicContact CG1-CG 4.13Å; I446-F517 HydrophobicContact CG2-CE1 4.47Å
447	P	97.1	Very high	97.4	Very high	23 Å²	23	44.6 Å²	44.6	15%	0.149	24%	0.235	C	C	.	.			trans	-58.3	154	177.9	-26.5	35.2	0	0	0	113	K449 A450 V451 L518 Y521	P447-K449 VanDerWaalsContact C-N 3.28Å; P447-K449 PolarHBondContact O-N 3.21Å; P447-A450 WeakPolarHBondContact O-CA 3.44Å; P447-A450 WeakPolarHBondContact O-CB 3.35Å; P447-A450 PolarHBondContact O-N 2.97Å; P447-V451 PolarHBondContact O-N 3.09Å; P447-L518 HydrophobicContact CG-CD2 3.79Å; P447-Y521 WeakPolarHBondContact CB-O 3.34Å
448	A	96.9	Very high	97.4	Very high	71 Å²	71	54.2 Å²	54.2	59%	0.587	28%	0.276	S	S	*	.	H	α-helix	trans	-55.6	-40.7	-179.4	0	0	0	0	0	112.9	A450 V451 E452	A448-A450 VanDerWaalsContact C-N 3.28Å; A448-A450 PolarHBondContact O-N 2.84Å; A448-V451 WeakPolarHBondContact O-CA 3.29Å; A448-V451 WeakPolarHBondContact O-CB 3.42Å; A448-V451 PolarHBondContact O-N 2.88Å; A448-V451 VanDerWaalsContact O-N 3.08Å; A448-E452 WeakPolarHBondContact O-CG 3.48Å; A448-E452 PolarHBondContact O-N 2.98Å
449	K	97.8	Very high	97.5	Very high	118 Å²	118	57 Å²	57	51%	0.513	29%	0.29	S	S	.	.	H	α-helix	trans	-63.4	-33.1	175.7	-63.6	178.1	-176.7	163.5	0	112.8	P447 A453 A522	P447-K449 VanDerWaalsContact C-N 3.28Å; P447-K449 PolarHBondContact O-N 3.21Å; K449-A453 WeakPolarHBondContact O-CB 3.4Å; K449-A453 PolarHBondContact O-N 2.98Å; K449-A522 WeakPolarHBondContact CD-O 3.4Å; K449-A522 WeakPolarHBondContact CE-O 3.47Å; K449-A522 PolarHBondContact NZ-O 3.47Å
450	A	97.8	Very high	97.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.4	-34.4	174	0	0	0	0	0	111.6	I446 P447 A448 A453 A454 F517 Y521	I446-A450 HydrophobicContact CG2-CB 3.52Å; P447-A450 WeakPolarHBondContact O-CA 3.44Å; P447-A450 WeakPolarHBondContact O-CB 3.35Å; P447-A450 PolarHBondContact O-N 2.97Å; A448-A450 VanDerWaalsContact C-N 3.28Å; A448-A450 PolarHBondContact O-N 2.84Å; A450-A453 PolarHBondContact O-N 3.42Å; A450-A454 WeakPolarHBondContact O-CB 3.38Å; A450-A454 PolarHBondContact O-N 3.32Å; A450-F517 HydrophobicContact CB-CE1 3.67Å; A450-F517 HydrophobicContact CB-CZ 3.69Å; A450-Y521 HydrophobicContact CB-CD1 4.19Å; A450-Y521 HydrophobicContact CB-CD2 3.92Å; A450-Y521 HydrophobicContact CB-CG 3.68Å
451	V	97.9	Very high	97.5	Very high	26 Å²	26	59.4 Å²	59.4	16%	0.158	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-46.9	171.7	176.3	0	0	0	0	110.5	I446 P447 A448 A453 A454 Q455 P461 Y490	I446-V451 HydrophobicContact CG2-CG2 3.91Å; P447-V451 PolarHBondContact O-N 3.09Å; A448-V451 WeakPolarHBondContact O-CA 3.29Å; A448-V451 WeakPolarHBondContact O-CB 3.42Å; A448-V451 PolarHBondContact O-N 2.88Å; A448-V451 VanDerWaalsContact O-N 3.08Å; V451-A453 PolarHBondContact O-N 2.94Å; V451-A454 WeakPolarHBondContact O-CB 3.44Å; V451-A454 PolarHBondContact O-N 3.38Å; V451-Q455 WeakPolarHBondContact O-CG 3.48Å; V451-Q455 PolarHBondContact O-N 3.5Å; V451-P461 HydrophobicContact CB-CG 4.41Å; V451-P461 HydrophobicContact CG1-CG 4.01Å; V451-P461 HydrophobicContact CG2-CB 4.22Å; V451-P461 HydrophobicContact CG2-CG 4.16Å; V451-Y490 HydrophobicContact CG2-CE2 4.3Å
452	E	97.8	Very high	97.5	Very high	122 Å²	122	59.2 Å²	59.2	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-60.6	-43.1	175	-69.7	171.3	-174.6	0	0	111.8	A448 A454 Q455 S456	A448-E452 WeakPolarHBondContact O-CG 3.48Å; A448-E452 PolarHBondContact O-N 2.98Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 3.24Å; E452-Q455 WeakPolarHBondContact O-CB 3.15Å; E452-Q455 PolarHBondContact O-N 3.1Å; E452-S456 PolarHBondContact O-N 3.21Å
453	A	98	Very high	97.5	Very high	18 Å²	18	60.9 Å²	60.9	15%	0.149	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-43.2	175	0	0	0	0	0	111.6	K449 A450 V451 S456 H457 F464 Y521	K449-A453 WeakPolarHBondContact O-CB 3.4Å; K449-A453 PolarHBondContact O-N 2.98Å; A450-A453 PolarHBondContact O-N 3.42Å; V451-A453 PolarHBondContact O-N 2.94Å; A453-S456 PolarHBondContact O-N 2.75Å; A453-S456 PolarHBondContact O-OG 3.17Å; A453-H457 PolarHBondContact O-N 3.2Å; A453-H457 PolarHBondContact O-ND1 3.26Å; A453-F464 HydrophobicContact CB-CE1 4.11Å; A453-F464 HydrophobicContact CB-CZ 4.08Å; A453-Y521 HydrophobicContact CB-CD1 4.41Å; A453-Y521 HydrophobicContact CB-CE1 3.88Å
454	A	97.7	Very high	97.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62	-43.1	175.4	0	0	0	0	0	112.1	A450 V451 E452 S456 H457 K458 M459 P461 F464	A450-A454 WeakPolarHBondContact O-CB 3.38Å; A450-A454 PolarHBondContact O-N 3.32Å; V451-A454 WeakPolarHBondContact O-CB 3.44Å; V451-A454 PolarHBondContact O-N 3.38Å; E452-A454 VanDerWaalsContact C-N 3.34Å; E452-A454 PolarHBondContact O-N 3.24Å; A454-S456 PolarHBondContact O-N 3.07Å; A454-H457 CarbonylContact O-C 3.47Å; A454-H457 WeakPolarHBondContact O-CA 3.46Å; A454-H457 PolarHBondContact O-N 3.35Å; A454-H457 VanDerWaalsContact O-N 3.07Å; A454-K458 PolarHBondContact O-N 3.34Å; A454-K458 VanDerWaalsContact O-N 3.16Å; A454-M459 CarbonylContact C-O 3.4Å; A454-M459 PolarHBondContact O-N 3.31Å; A454-P461 HydrophobicContact CB-CB 4.42Å; A454-P461 HydrophobicContact CB-CG 4.47Å; A454-F464 HydrophobicContact CB-CB 3.5Å; A454-F464 HydrophobicContact CB-CD1 4.17Å; A454-F464 HydrophobicContact CB-CG 3.85Å
455	Q	96.6	Very high	97.5	Very high	128 Å²	128	56.8 Å²	56.8	60%	0.598	30%	0.302	S	S	*	.	H	α-helix	trans	-60.8	-42.8	176.7	-72.1	172.4	-3.3	0	0	112.1	V451 E452 H457 K458	V451-Q455 WeakPolarHBondContact O-CG 3.48Å; V451-Q455 PolarHBondContact O-N 3.5Å; E452-Q455 WeakPolarHBondContact O-CB 3.15Å; E452-Q455 PolarHBondContact O-N 3.1Å; Q455-H457 PolarHBondContact O-N 3.18Å; Q455-K458 WeakPolarHBondContact O-CA 3.46Å; Q455-K458 PolarHBondContact O-N 3.08Å
456	S	97.4	Very high	97.5	Very high	89 Å²	89	51.4 Å²	51.4	62%	0.622	27%	0.274	S	S	*	.	H	α-helix	trans	-61.5	-27.1	175.3	71.2	0	0	0	0	113.3	E452 A453 A454 K458	E452-S456 PolarHBondContact O-N 3.21Å; A453-S456 PolarHBondContact O-N 2.75Å; A453-S456 PolarHBondContact O-OG 3.17Å; A454-S456 PolarHBondContact O-N 3.07Å; S456-K458 VanDerWaalsContact C-N 3.35Å
457	H	95.6	Very high	97.5	Very high	106 Å²	106	51.9 Å²	51.9	49%	0.491	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	2.4	174	-69.8	74	0	0	0	113.3	A453 A454 Q455 M459 F464	A453-H457 PolarHBondContact O-N 3.2Å; A453-H457 PolarHBondContact O-ND1 3.26Å; A454-H457 CarbonylContact O-C 3.47Å; A454-H457 WeakPolarHBondContact O-CA 3.46Å; A454-H457 PolarHBondContact O-N 3.35Å; A454-H457 VanDerWaalsContact O-N 3.07Å; Q455-H457 PolarHBondContact O-N 3.18Å; H457-M459 HydrophobicContact CB-CG 4.27Å; H457-M459 HydrophobicContact CB-SD 4.4Å; H457-M459 PolarHBondContact O-N 3.49Å; H457-F464 HydrophobicContact CB-CD2 4.4Å; H457-F464 AromaticContact ND1-CE2 3.82Å
458	K	96.8	Very high	97.6	Very high	201 Å²	201	52.9 Å²	52.9	87%	0.874	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.6	-174.3	-53.4	179.3	-179.2	-179.8	0	112.6	A454 Q455 S456	A454-K458 PolarHBondContact O-N 3.34Å; A454-K458 VanDerWaalsContact O-N 3.16Å; Q455-K458 WeakPolarHBondContact O-CA 3.46Å; Q455-K458 PolarHBondContact O-N 3.08Å; S456-K458 VanDerWaalsContact C-N 3.35Å
459	M	96.3	Very high	97.7	Very high	65 Å²	65	49.5 Å²	49.5	32%	0.32	25%	0.25	S	C	.	.			trans	-117.2	149.8	178.5	-68.4	-177.5	179.5	0	0	110.6	A454 H457 M463 F464 M467	A454-M459 CarbonylContact C-O 3.4Å; A454-M459 PolarHBondContact O-N 3.31Å; H457-M459 HydrophobicContact CB-CG 4.27Å; H457-M459 HydrophobicContact CB-SD 4.4Å; H457-M459 PolarHBondContact O-N 3.49Å; M459-M463 HydrophobicContact CB-CB 4.46Å; M459-M463 HydrophobicContact CB-CG 4.34Å; M459-M463 HydrophobicContact CG-CG 4.36Å; M459-M463 HydrophobicContact SD-CG 4.32Å; M459-F464 HydrophobicContact CB-CB 4.22Å; M459-F464 HydrophobicContact SD-CD2 4.41Å; M459-M467 HydrophobicContact CE-CG 4.5Å; M459-M467 HydrophobicContact SD-CG 4.27Å
460	A	97.4	Very high	97.7	Very high	40 Å²	40	43.9 Å²	43.9	33%	0.331	23%	0.226	S	C	.	.			trans	-60.8	148.5	163.1	0	0	0	0	0	109.9	D462 M463 F464	A460-D462 VanDerWaalsContact C-N 3.34Å; A460-D462 PolarHBondContact O-N 3.49Å; A460-M463 HydrophobicContact CB-CB 4.17Å; A460-M463 WeakPolarHBondContact O-CB 3.47Å; A460-M463 PolarHBondContact O-N 3.15Å; A460-M463 VanDerWaalsContact O-N 3.13Å; A460-F464 PolarHBondContact O-N 3.37Å
461	P	98.4	Very high	97.7	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-56.3	-42.7	-176.5	-30	38.6	0	0	0	114.4	I446 V451 A454 F464 Y465 Y490	I446-P461 HydrophobicContact CD1-CB 3.84Å; I446-P461 HydrophobicContact CG2-CB 4.26Å; V451-P461 HydrophobicContact CB-CG 4.41Å; V451-P461 HydrophobicContact CG1-CG 4.01Å; V451-P461 HydrophobicContact CG2-CB 4.22Å; V451-P461 HydrophobicContact CG2-CG 4.16Å; A454-P461 HydrophobicContact CB-CB 4.42Å; A454-P461 HydrophobicContact CB-CG 4.47Å; P461-F464 PolarHBondContact O-N 2.92Å; P461-Y465 PolarHBondContact O-N 3.44Å; P461-Y490 HydrophobicContact CB-CD1 3.9Å; P461-Y490 HydrophobicContact CB-CE1 3.62Å; P461-Y490 HydrophobicContact CB-CE2 4.49Å; P461-Y490 HydrophobicContact CB-CG 4.45Å; P461-Y490 HydrophobicContact CG-CD1 4.29Å; P461-Y490 HydrophobicContact CG-CE1 3.55Å
462	D	98.2	Very high	97.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-72	-33.7	177	54.4	11.4	0	0	0	113.5	I446 A460 F464 Y465 C466 P479 G480 S481 Q485 H491	I446-D462 HydrophobicContact CD1-CB 4.49Å; A460-D462 VanDerWaalsContact C-N 3.34Å; A460-D462 PolarHBondContact O-N 3.49Å; D462-F464 VanDerWaalsContact C-N 3.34Å; D462-Y465 PolarHBondContact O-N 3.43Å; D462-C466 WeakPolarHBondContact O-CB 3.37Å; D462-C466 PolarHBondContact O-N 3.42Å; D462-C466 PolarHBondContact O-SG 2.96Å; D462-P479 HydrophobicContact CB-CB 4.14Å; D462-G480 WeakPolarHBondContact OD2-CA 3.46Å; D462-G480 PolarHBondContact OD2-N 3.24Å; D462-S481 VanDerWaalsContact OD1-CB 3.25Å; D462-S481 WeakPolarHBondContact OD1-CB 3.26Å; D462-S481 PolarHBondContact OD1-OG 3.41Å; D462-S481 PolarHBondContact OD2-N 2.94Å; D462-Q485 PolarHBondContact OD2-NE2 3.13Å; D462-H491 WeakPolarHBondContact CB-O 3.29Å
463	M	97.8	Very high	97.7	Very high	36 Å²	36	44.4 Å²	44.4	18%	0.177	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-45.7	170.8	177.2	62.7	75.5	0	0	110.3	M459 A460 C466 M467 P479	M459-M463 HydrophobicContact CB-CB 4.46Å; M459-M463 HydrophobicContact CB-CG 4.34Å; M459-M463 HydrophobicContact CG-CG 4.36Å; M459-M463 HydrophobicContact SD-CG 4.32Å; A460-M463 HydrophobicContact CB-CB 4.17Å; A460-M463 WeakPolarHBondContact O-CB 3.47Å; A460-M463 PolarHBondContact O-N 3.15Å; A460-M463 VanDerWaalsContact O-N 3.13Å; M463-C466 PolarHBondContact O-N 2.94Å; M463-M467 HydrophobicContact CG-CG 4.35Å; M463-M467 WeakPolarHBondContact O-CB 3.33Å; M463-M467 WeakPolarHBondContact O-CG 3.42Å; M463-M467 PolarHBondContact O-N 3.38Å; M463-M467 HydrophobicContact SD-CG 4.04Å; M463-P479 HydrophobicContact CB-CB 4.43Å; M463-P479 HydrophobicContact CB-CG 4.36Å; M463-P479 HydrophobicContact CE-CG 3.56Å; M463-P479 HydrophobicContact SD-CG 3.95Å
464	F	98.3	Very high	97.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-60.7	-46.6	176.2	179	-103.1	0	0	0	111.7	A453 A454 H457 M459 A460 P461 D462 C466 M467 K468 F517 Y521	A453-F464 HydrophobicContact CB-CE1 4.11Å; A453-F464 HydrophobicContact CB-CZ 4.08Å; A454-F464 HydrophobicContact CB-CB 3.5Å; A454-F464 HydrophobicContact CB-CD1 4.17Å; A454-F464 HydrophobicContact CB-CG 3.85Å; H457-F464 HydrophobicContact CB-CD2 4.4Å; H457-F464 AromaticContact ND1-CE2 3.82Å; M459-F464 HydrophobicContact CB-CB 4.22Å; M459-F464 HydrophobicContact SD-CD2 4.41Å; A460-F464 PolarHBondContact O-N 3.37Å; P461-F464 PolarHBondContact O-N 2.92Å; D462-F464 VanDerWaalsContact C-N 3.34Å; F464-C466 PolarHBondContact O-N 3.22Å; F464-M467 PolarHBondContact O-N 3.24Å; F464-K468 HydrophobicContact CE1-CG 4.25Å; F464-K468 HydrophobicContact CE2-CG 4.32Å; F464-K468 HydrophobicContact CZ-CG 4.12Å; F464-K468 WeakPolarHBondContact O-CG 3.34Å; F464-K468 PolarHBondContact O-N 3.24Å; F464-F517 HydrophobicContact CD1-CE2 4.24Å; F464-F517 HydrophobicContact CD1-CZ 4.25Å; F464-F517 HydrophobicContact CE1-CE2 4.06Å; F464-F517 HydrophobicContact CE1-CZ 4.28Å; F464-Y521 HydrophobicContact CE1-CE2 4.21Å; F464-Y521 AromaticContact CE1-CZ 3.86Å; F464-Y521 WeakPolarHBondContact CZ-OH 3.35Å
465	Y	98.6	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.3	-49.4	174.3	179.4	-88	0	0	0	111.9	I444 P461 D462 M467 K468 L469 F492 F513 H514 F517	I444-Y465 HydrophobicContact CD1-CD1 3.56Å; I444-Y465 HydrophobicContact CD1-CD2 4.04Å; I444-Y465 HydrophobicContact CD1-CE1 3.87Å; I444-Y465 HydrophobicContact CD1-CE2 4.32Å; I444-Y465 HydrophobicContact CD1-CG 3.65Å; P461-Y465 PolarHBondContact O-N 3.44Å; D462-Y465 PolarHBondContact O-N 3.43Å; Y465-M467 PolarHBondContact O-N 3.34Å; Y465-K468 PolarHBondContact O-N 3.47Å; Y465-L469 PolarHBondContact O-N 2.7Å; Y465-F492 HydrophobicContact CE1-CD1 4.12Å; Y465-F492 HydrophobicContact CE1-CE1 4.15Å; Y465-F513 HydrophobicContact CD1-CE1 4.31Å; Y465-F513 AromaticContact CD2-CE1 3.98Å; Y465-F513 HydrophobicContact CD2-CE1 3.98Å; Y465-F513 HydrophobicContact CD2-CZ 4.49Å; Y465-F513 AromaticContact CE1-CE1 3.91Å; Y465-F513 HydrophobicContact CE1-CE1 3.91Å; Y465-F513 HydrophobicContact CE2-CD1 4.26Å; Y465-F513 AromaticContact CE2-CE1 3.55Å; Y465-F513 HydrophobicContact CE2-CE1 3.55Å; Y465-F513 HydrophobicContact CE2-CZ 4.41Å; Y465-F513 HydrophobicContact CG-CE1 4.35Å; Y465-F513 AromaticContact CZ-CD1 3.96Å; Y465-F513 AromaticContact CZ-CE1 3.51Å; Y465-H514 AromaticContact CE2-ND1 3.57Å; Y465-H514 AromaticContact CZ-ND1 3.62Å; Y465-H514 WeakPolarHBondContact OH-CB 3.4Å; Y465-H514 PolarHBondContact OH-ND1 2.95Å; Y465-F517 AromaticContact CD2-CD1 3.8Å; Y465-F517 HydrophobicContact CD2-CD1 3.8Å; Y465-F517 HydrophobicContact CD2-CD2 4.04Å; Y465-F517 AromaticContact CD2-CE1 3.74Å; Y465-F517 HydrophobicContact CD2-CE1 3.74Å; Y465-F517 AromaticContact CD2-CE2 3.96Å; Y465-F517 HydrophobicContact CD2-CE2 3.96Å; Y465-F517 AromaticContact CD2-CG 3.96Å; Y465-F517 HydrophobicContact CD2-CG 3.96Å; Y465-F517 AromaticContact CD2-CZ 3.82Å; Y465-F517 HydrophobicContact CD2-CZ 3.82Å; Y465-F517 HydrophobicContact CE2-CB 4.41Å; Y465-F517 AromaticContact CE2-CD1 3.97Å; Y465-F517 HydrophobicContact CE2-CD1 3.97Å; Y465-F517 HydrophobicContact CE2-CD2 4.43Å; Y465-F517 HydrophobicContact CE2-CE1 4.35Å; Y465-F517 HydrophobicContact CE2-CG 4.02Å
466	C	98.3	Very high	97.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-36.2	-178.1	-64.3	0	0	0	0	112.6	I68 D462 M463 F464 L469 L470 V477 P479	I68-C466 HydrophobicContact CD1-CB 3.42Å; I68-C466 VanDerWaalsContact CD1-CB 3.42Å; D462-C466 WeakPolarHBondContact O-CB 3.37Å; D462-C466 PolarHBondContact O-N 3.42Å; D462-C466 PolarHBondContact O-SG 2.96Å; M463-C466 PolarHBondContact O-N 2.94Å; F464-C466 PolarHBondContact O-N 3.22Å; C466-L469 PolarHBondContact O-N 3.4Å; C466-L470 WeakPolarHBondContact O-CB 3.26Å; C466-L470 PolarHBondContact O-N 3.39Å; C466-V477 HydrophobicContact CB-CG2 3.94Å; C466-V477 VanDerWaalsContact SG-CG2 3.56Å; C466-P479 HydrophobicContact CB-CB 4.35Å
467	M	98	Very high	97.6	Very high	22 Å²	22	33.2 Å²	33.2	11%	0.108	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-44.1	173.4	-74.7	-68.9	-68.9	0	0	111.1	I68 K71 M459 M463 F464 Y465 L470 E471	I68-M467 HydrophobicContact CB-SD 4.26Å; I68-M467 HydrophobicContact CG1-SD 4.12Å; K71-M467 HydrophobicContact CB-CE 3.97Å; K71-M467 HydrophobicContact CB-SD 4.2Å; K71-M467 HydrophobicContact CD-CE 4.39Å; K71-M467 HydrophobicContact CG-CE 3.78Å; K71-M467 HydrophobicContact CG-SD 4.41Å; M459-M467 HydrophobicContact CE-CG 4.5Å; M459-M467 HydrophobicContact SD-CG 4.27Å; M463-M467 HydrophobicContact CG-CG 4.35Å; M463-M467 WeakPolarHBondContact O-CB 3.33Å; M463-M467 WeakPolarHBondContact O-CG 3.42Å; M463-M467 PolarHBondContact O-N 3.38Å; M463-M467 HydrophobicContact SD-CG 4.04Å; F464-M467 PolarHBondContact O-N 3.24Å; Y465-M467 PolarHBondContact O-N 3.34Å; M467-L470 PolarHBondContact O-N 3.47Å; M467-E471 WeakPolarHBondContact O-CB 3.32Å; M467-E471 VanDerWaalsContact O-CG 3.28Å; M467-E471 WeakPolarHBondContact O-CG 3.49Å; M467-E471 PolarHBondContact O-N 3.45Å
468	K	98.2	Very high	97.6	Very high	44 Å²	44	28.2 Å²	28.2	19%	0.191	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-41.5	176.1	-69.6	-69.1	162.8	-147.6	0	112.3	F464 Y465 L470 E471 E472 F513	F464-K468 HydrophobicContact CE1-CG 4.25Å; F464-K468 HydrophobicContact CE2-CG 4.32Å; F464-K468 HydrophobicContact CZ-CG 4.12Å; F464-K468 WeakPolarHBondContact O-CG 3.34Å; F464-K468 PolarHBondContact O-N 3.24Å; Y465-K468 PolarHBondContact O-N 3.47Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 2.88Å; K468-E471 IonicContact NZ-OE2 3Å; K468-E471 PolarHBondContact NZ-OE2 3.44Å; K468-E471 PolarHBondContact O-N 3.49Å; K468-E472 WeakPolarHBondContact O-CB 3.27Å; K468-E472 WeakPolarHBondContact O-CG 3.2Å; K468-E472 PolarHBondContact O-N 3.15Å; K468-F513 HydrophobicContact CB-CE2 3.85Å; K468-F513 HydrophobicContact CB-CZ 3.69Å
469	L	98.4	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-55.9	-48.1	174	175.4	63.7	0	0	0	110.7	Y465 C466 E472 T473 I475 V477 V510 F513	Y465-L469 PolarHBondContact O-N 2.7Å; C466-L469 PolarHBondContact O-N 3.4Å; L469-E472 PolarHBondContact O-N 3.19Å; L469-T473 HydrophobicContact CD1-CG2 3.85Å; L469-T473 WeakPolarHBondContact CD1-OG1 3.31Å; L469-T473 WeakPolarHBondContact O-CB 3.4Å; L469-T473 PolarHBondContact O-N 3.02Å; L469-T473 PolarHBondContact O-OG1 3.39Å; L469-I475 HydrophobicContact CD1-CB 4.45Å; L469-I475 HydrophobicContact CD2-CG2 4.32Å; L469-I475 HydrophobicContact CG-CB 4.28Å; L469-V477 HydrophobicContact CD2-CG1 4.2Å; L469-V477 HydrophobicContact CD2-CG2 3.82Å; L469-V510 HydrophobicContact CD1-CG2 4.12Å; L469-V510 HydrophobicContact CD2-CG2 4.21Å; L469-F513 HydrophobicContact CB-CD1 3.92Å; L469-F513 HydrophobicContact CB-CE1 3.6Å; L469-F513 HydrophobicContact CB-CE2 4.42Å; L469-F513 HydrophobicContact CB-CG 4.44Å; L469-F513 HydrophobicContact CB-CZ 3.89Å; L469-F513 HydrophobicContact CD1-CB 3.91Å; L469-F513 HydrophobicContact CD1-CD1 3.48Å; L469-F513 VanDerWaalsContact CD1-CD1 3.48Å; L469-F513 HydrophobicContact CD1-CD2 4.42Å; L469-F513 HydrophobicContact CD1-CE1 4.11Å; L469-F513 HydrophobicContact CD1-CG 3.66Å; L469-F513 HydrophobicContact CG-CD1 4.24Å; L469-F513 HydrophobicContact CG-CE1 4.4Å
470	L	98.2	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.2	-47.7	178.6	173.7	61.2	0	0	0	112	I68 K71 A72 I75 V90 C466 M467 K468 E472 G474 I475 C476	I68-L470 HydrophobicContact CG1-CD2 3.84Å; I68-L470 WeakPolarHBondContact O-CD2 3.46Å; K71-L470 HydrophobicContact CB-CD2 3.97Å; K71-L470 HydrophobicContact CG-CD2 3.92Å; A72-L470 HydrophobicContact CB-CD1 4.29Å; A72-L470 HydrophobicContact CB-CD2 4.06Å; I75-L470 HydrophobicContact CD1-CD1 4.17Å; I75-L470 HydrophobicContact CD1-CD2 4.21Å; I75-L470 HydrophobicContact CD1-CG 3.78Å; V90-L470 HydrophobicContact CG1-CD1 4.2Å; C466-L470 WeakPolarHBondContact O-CB 3.26Å; C466-L470 PolarHBondContact O-N 3.39Å; M467-L470 PolarHBondContact O-N 3.47Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 2.88Å; L470-E472 VanDerWaalsContact C-N 3.3Å; L470-E472 PolarHBondContact O-N 3.02Å; L470-G474 WeakPolarHBondContact O-CA 3.41Å; L470-G474 PolarHBondContact O-N 2.94Å; L470-I475 WeakPolarHBondContact CA-O 3.27Å; L470-C476 HydrophobicContact CD1-CB 4.04Å
471	E	97.6	Very high	97.7	Very high	69 Å²	69	16.1 Å²	16.1	32%	0.322	8%	0.084	S	C	.	.	H	α-helix	trans	-62.4	-33.8	-178.7	-75.6	172.1	176.9	0	0	113.3	F87 M467 K468	F87-E471 WeakPolarHBondContact CE1-O 3.34Å; M467-E471 WeakPolarHBondContact O-CB 3.32Å; M467-E471 VanDerWaalsContact O-CG 3.28Å; M467-E471 WeakPolarHBondContact O-CG 3.49Å; M467-E471 PolarHBondContact O-N 3.45Å; K468-E471 IonicContact NZ-OE2 3Å; K468-E471 PolarHBondContact NZ-OE2 3.44Å; K468-E471 PolarHBondContact O-N 3.49Å
472	E	97.8	Very high	97.5	Very high	76 Å²	76	15.9 Å²	15.9	36%	0.355	9%	0.085	S	C	.	.	H	α-helix	trans	-94.9	-30.9	-174.7	-67.1	-179.3	-149.5	0	0	113.3	F87 K468 L469 L470 F513	F87-E472 WeakPolarHBondContact CD1-O 3.4Å; K468-E472 WeakPolarHBondContact O-CB 3.27Å; K468-E472 WeakPolarHBondContact O-CG 3.2Å; K468-E472 PolarHBondContact O-N 3.15Å; L469-E472 PolarHBondContact O-N 3.19Å; L470-E472 VanDerWaalsContact C-N 3.3Å; L470-E472 PolarHBondContact O-N 3.02Å; E472-F513 HydrophobicContact CB-CD2 4.21Å; E472-F513 HydrophobicContact CB-CE2 4.49Å
473	T	98	Very high	97.4	Very high	14 Å²	14	15.9 Å²	15.9	9%	0.086	9%	0.085	C	C	.	.	H	α-helix	trans	-119.5	-16.8	-170.6	72.2	0	0	0	0	115	F87 L469 I475 F513	F87-T473 WeakPolarHBondContact CB-O 3.47Å; F87-T473 WeakPolarHBondContact CG-O 3.37Å; L469-T473 HydrophobicContact CD1-CG2 3.85Å; L469-T473 WeakPolarHBondContact CD1-OG1 3.31Å; L469-T473 WeakPolarHBondContact O-CB 3.4Å; L469-T473 PolarHBondContact O-N 3.02Å; L469-T473 PolarHBondContact O-OG1 3.39Å; T473-I475 VanDerWaalsContact C-N 3.25Å; T473-I475 WeakPolarHBondContact OG1-CB 3.44Å; T473-I475 WeakPolarHBondContact OG1-CG1 3.16Å; T473-I475 PolarHBondContact OG1-N 2.87Å; T473-I475 VanDerWaalsContact OG1-N 3.15Å; T473-F513 HydrophobicContact CG2-CB 3.88Å; T473-F513 HydrophobicContact CG2-CD2 4.5Å; T473-F513 HydrophobicContact CG2-CG 4.38Å
474	G	97.2	Very high	97.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.			trans	78.5	4.4	-171.1	0	0	0	0	0	113.7	F87 V90 I91 L470	F87-G474 VanDerWaalsContact CD1-N 3.26Å; F87-G474 VanDerWaalsContact CE2-CA 3.46Å; V90-G474 CarbonylContact C-O 3.47Å; V90-G474 VanDerWaalsContact CA-O 3.26Å; V90-G474 WeakPolarHBondContact CA-O 3.19Å; I91-G474 PolarHBondContact N-O 2.94Å; L470-G474 WeakPolarHBondContact O-CA 3.41Å; L470-G474 PolarHBondContact O-N 2.94Å
475	I	97.2	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	117.6	-177.2	-61.2	168.5	0	0	0	109.7	A93 L469 L470 T473 V477 V506 K509 V510	A93-I475 HydrophobicContact CB-CG2 4.45Å; L469-I475 HydrophobicContact CD1-CB 4.45Å; L469-I475 HydrophobicContact CD2-CG2 4.32Å; L469-I475 HydrophobicContact CG-CB 4.28Å; L470-I475 WeakPolarHBondContact CA-O 3.27Å; T473-I475 VanDerWaalsContact C-N 3.25Å; T473-I475 WeakPolarHBondContact OG1-CB 3.44Å; T473-I475 WeakPolarHBondContact OG1-CG1 3.16Å; T473-I475 PolarHBondContact OG1-N 2.87Å; T473-I475 VanDerWaalsContact OG1-N 3.15Å; I475-V477 HydrophobicContact CG2-CG1 4.09Å; I475-V506 HydrophobicContact CD1-CB 4.39Å; I475-V506 HydrophobicContact CD1-CG1 4.05Å; I475-V506 WeakPolarHBondContact CD1-O 3.28Å; I475-V506 HydrophobicContact CG2-CG1 4.09Å; I475-K509 HydrophobicContact CD1-CB 3.51Å; I475-K509 HydrophobicContact CD1-CD 4.13Å; I475-K509 HydrophobicContact CD1-CG 4.49Å; I475-V510 HydrophobicContact CD1-CG2 3.95Å; I475-V510 HydrophobicContact CG2-CG2 4.35Å
476	C	96.4	Very high	97.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	108	178.5	-173	0	0	0	0	110.3	A72 V90 I91 A93 N94 L470	A72-C476 HydrophobicContact CB-CB 4.33Å; V90-C476 HydrophobicContact CG1-CB 4.27Å; I91-C476 PolarHBondContact O-N 3.49Å; A93-C476 CarbonylContact C-O 3.49Å; A93-C476 VanDerWaalsContact C-O 3.23Å; A93-C476 WeakPolarHBondContact CA-O 3.31Å; A93-C476 PolarHBondContact N-O 3.4Å; N94-C476 WeakPolarHBondContact CB-O 3.41Å; N94-C476 PolarHBondContact N-O 2.94Å; N94-C476 VanDerWaalsContact N-O 3.15Å; L470-C476 HydrophobicContact CD1-CB 4.04Å
477	V	96.8	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.			trans	-110	172.9	171.9	-63	0	0	0	0	110.1	I68 A93 C466 L469 I475 F492 M494	I68-V477 WeakPolarHBondContact CD1-O 3.22Å; A93-V477 HydrophobicContact CB-CG1 4.42Å; C466-V477 HydrophobicContact CB-CG2 3.94Å; C466-V477 VanDerWaalsContact SG-CG2 3.56Å; L469-V477 HydrophobicContact CD2-CG1 4.2Å; L469-V477 HydrophobicContact CD2-CG2 3.82Å; I475-V477 HydrophobicContact CG2-CG1 4.09Å; V477-F492 HydrophobicContact CB-CB 4.45Å; V477-F492 HydrophobicContact CB-CD2 3.89Å; V477-F492 HydrophobicContact CB-CG 4.48Å; V477-F492 HydrophobicContact CG1-CD2 3.91Å; V477-F492 HydrophobicContact CG1-CE2 4.2Å; V477-F492 HydrophobicContact CG2-CB 4.05Å; V477-F492 HydrophobicContact CG2-CD2 3.98Å; V477-F492 HydrophobicContact CG2-CG 4.15Å; V477-M494 HydrophobicContact CG1-CB 4.3Å; V477-M494 HydrophobicContact CG1-CG 4.35Å
478	V	96.8	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.2	174.9	-170.3	0	0	0	0	109.4	N94 F483 F492 R493	N94-V478 HydrophobicContact CB-CG2 3.59Å; V478-F483 HydrophobicContact CB-CE2 3.62Å; V478-F483 HydrophobicContact CB-CZ 3.72Å; V478-F483 HydrophobicContact CG1-CD2 4.4Å; V478-F483 HydrophobicContact CG1-CE2 3.36Å; V478-F483 HydrophobicContact CG1-CZ 3.53Å; V478-F483 HydrophobicContact CG2-CZ 4.37Å; V478-F492 CarbonylContact O-C 3.49Å; V478-F492 VanDerWaalsContact O-CA 3.27Å; V478-F492 WeakPolarHBondContact O-CA 3.43Å; V478-F492 WeakPolarHBondContact O-CB 3.37Å; V478-R493 HydrophobicContact CB-CB 4.45Å; V478-R493 PolarHBondContact N-O 2.93Å; V478-R493 PolarHBondContact O-N 3.3Å
479	P	97.8	Very high	97.2	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.013	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	151.4	179.6	27.9	-34.9	0	0	0	112.4	D462 M463 C466 S481 G482 F483	D462-P479 HydrophobicContact CB-CB 4.14Å; M463-P479 HydrophobicContact CB-CB 4.43Å; M463-P479 HydrophobicContact CB-CG 4.36Å; M463-P479 HydrophobicContact CE-CG 3.56Å; M463-P479 HydrophobicContact SD-CG 3.95Å; C466-P479 HydrophobicContact CB-CB 4.35Å; P479-S481 VanDerWaalsContact C-N 3.28Å; P479-S481 PolarHBondContact O-N 2.91Å; P479-G482 PolarHBondContact O-N 3.39Å; P479-F483 WeakPolarHBondContact O-CD2 3.5Å; P479-F483 WeakPolarHBondContact O-CE2 3.41Å
480	G	97.7	Very high	97.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.5	-34.4	-178.3	0	0	0	0	0	113.8	D462 G482 F483 G484 H491	D462-G480 WeakPolarHBondContact OD2-CA 3.46Å; D462-G480 PolarHBondContact OD2-N 3.24Å; G480-G482 PolarHBondContact O-N 3.05Å; G480-G482 VanDerWaalsContact O-N 3.09Å; G480-F483 WeakPolarHBondContact O-CA 3.28Å; G480-F483 PolarHBondContact O-N 3.36Å; G480-G484 PolarHBondContact O-N 2.94Å; G480-G484 VanDerWaalsContact O-N 3.15Å; G480-H491 WeakPolarHBondContact CA-O 3.44Å; G480-H491 PolarHBondContact N-O 3.47Å
481	S	96	Very high	97.3	Very high	50 Å²	50	34 Å²	34	35%	0.35	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-53.9	-27.7	172.1	47.6	0	0	0	0	113.3	D462 P479 F483	D462-S481 VanDerWaalsContact OD1-CB 3.25Å; D462-S481 WeakPolarHBondContact OD1-CB 3.26Å; D462-S481 PolarHBondContact OD1-OG 3.41Å; D462-S481 PolarHBondContact OD2-N 2.94Å; P479-S481 VanDerWaalsContact C-N 3.28Å; P479-S481 PolarHBondContact O-N 2.91Å; S481-F483 PolarHBondContact O-N 3.26Å
482	G	94.2	Very high	97.3	Very high	15 Å²	15	30.8 Å²	30.8	16%	0.155	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-71.7	-13.9	174.1	0	0	0	0	0	115.3	A63 P216 P479 G480	A63-G482 WeakPolarHBondContact CB-O 3.3Å; P216-G482 VanDerWaalsContact CG-O 3.25Å; P216-G482 WeakPolarHBondContact CG-O 3.38Å; P479-G482 PolarHBondContact O-N 3.39Å; G480-G482 PolarHBondContact O-N 3.05Å; G480-G482 VanDerWaalsContact O-N 3.09Å
483	F	96.9	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-7.5	179.7	-53.6	-86.9	0	0	0	112	V64 P213 Q214 P216 P271 F441 V478 P479 G480 S481 R493	V64-F483 HydrophobicContact CG2-CE1 4.2Å; V64-F483 HydrophobicContact CG2-CZ 4.43Å; P213-F483 HydrophobicContact CB-CB 4.07Å; Q214-F483 VanDerWaalsContact CG-O 3.27Å; Q214-F483 WeakPolarHBondContact CG-O 3.13Å; Q214-F483 PolarHBondContact N-O 3.32Å; Q214-F483 VanDerWaalsContact O-CD1 3.23Å; Q214-F483 WeakPolarHBondContact O-CD1 3.44Å; P216-F483 HydrophobicContact CG-CD1 3.86Å; P216-F483 HydrophobicContact CG-CE1 4.17Å; P271-F483 HydrophobicContact CB-CD1 4.12Å; P271-F483 HydrophobicContact CB-CE1 4.18Å; P271-F483 HydrophobicContact CB-CG 4.43Å; P271-F483 HydrophobicContact CG-CB 4.19Å; P271-F483 HydrophobicContact CG-CD1 3.96Å; P271-F483 HydrophobicContact CG-CG 3.99Å; F441-F483 HydrophobicContact CE2-CB 4.44Å; F441-F483 AromaticContact CE2-CD2 3.64Å; F441-F483 HydrophobicContact CE2-CD2 3.64Å; F441-F483 HydrophobicContact CE2-CE2 4.15Å; F441-F483 HydrophobicContact CE2-CG 4.18Å; F441-F483 HydrophobicContact CZ-CB 4.28Å; F441-F483 HydrophobicContact CZ-CD2 4.17Å; F441-F483 HydrophobicContact CZ-CG 4.5Å; V478-F483 HydrophobicContact CB-CE2 3.62Å; V478-F483 HydrophobicContact CB-CZ 3.72Å; V478-F483 HydrophobicContact CG1-CD2 4.4Å; V478-F483 HydrophobicContact CG1-CE2 3.36Å; V478-F483 HydrophobicContact CG1-CZ 3.53Å; V478-F483 HydrophobicContact CG2-CZ 4.37Å; P479-F483 WeakPolarHBondContact O-CD2 3.5Å; P479-F483 WeakPolarHBondContact O-CE2 3.41Å; G480-F483 WeakPolarHBondContact O-CA 3.28Å; G480-F483 PolarHBondContact O-N 3.36Å; S481-F483 PolarHBondContact O-N 3.26Å; F483-R493 HydrophobicContact CE2-CB 3.59Å; F483-R493 HydrophobicContact CZ-CB 3.62Å; F483-R493 HydrophobicContact CZ-CG 4.24Å
484	G	97	Very high	97.1	Very high	22 Å²	22	26.6 Å²	26.6	23%	0.227	15%	0.149	C	C	.	.			trans	70.3	151.8	-162.8	0	0	0	0	0	111.8	I212 P213 G480	I212-G484 VanDerWaalsContact CG2-C 3.43Å; P213-G484 WeakPolarHBondContact CA-O 3.35Å; P213-G484 WeakPolarHBondContact CB-O 3.28Å; G480-G484 PolarHBondContact O-N 2.94Å; G480-G484 VanDerWaalsContact O-N 3.15Å
485	Q	98.1	Very high	97	Very high	31 Å²	31	26.7 Å²	26.7	15%	0.145	15%	0.149	C	C	.	.			trans	-158.5	171.5	177.7	62.2	-157.3	-11.5	0	0	109	D462 T489 H491	D462-Q485 PolarHBondContact OD2-NE2 3.13Å; Q485-T489 WeakPolarHBondContact CG-O 3.45Å; Q485-T489 PolarHBondContact NE2-O 3.31Å; Q485-T489 VanDerWaalsContact NE2-O 3.14Å; Q485-H491 VanDerWaalsContact OE1-N 3.09Å; Q485-H491 PolarHBondContact OE1-ND1 3.29Å
486	R	97.9	Very high	96.9	Very high	120 Å²	120	26.7 Å²	26.7	45%	0.453	15%	0.149	S	C	.	.			trans	-63.9	142.9	172.2	-77.8	-167.2	172.8	-161.3	1.1	110.3	Y233 G488 T489	Y233-R486 HydrophobicContact CD1-CB 4.5Å; Y233-R486 HydrophobicContact CD1-CG 3.48Å; Y233-R486 VanDerWaalsContact CD1-CG 3.48Å; Y233-R486 HydrophobicContact CE1-CG 3.95Å; Y233-R486 HydrophobicContact CG-CG 4.16Å; R486-G488 PolarHBondContact O-N 3.34Å; R486-T489 HydrophobicContact CB-CG2 3.99Å; R486-T489 PolarHBondContact N-OG1 3.23Å; R486-T489 PolarHBondContact O-N 3.45Å; R486-T489 VanDerWaalsContact O-N 3.09Å; R486-T489 PolarHBondContact O-OG1 3.27Å
487	E	96.9	Very high	96.8	Very high	198 Å²	198	26.8 Å²	26.8	93%	0.925	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	139.1	175.5	-170.6	174.9	-175.2	0	0	110.7	T489	E487-T489 PolarHBondContact O-N 2.93Å
488	G	96.9	Very high	96.6	Very high	55 Å²	55	27 Å²	27	57%	0.567	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	-0.3	-175.9	0	0	0	0	0	115.3	R486	R486-G488 PolarHBondContact O-N 3.34Å
489	T	98.4	Very high	96.4	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.074	17%	0.171	C	C	.	.			trans	-107.2	150.4	172	72.1	0	0	0	0	110.7	Q485 R486 E487 H491	Q485-T489 WeakPolarHBondContact CG-O 3.45Å; Q485-T489 PolarHBondContact NE2-O 3.31Å; Q485-T489 VanDerWaalsContact NE2-O 3.14Å; R486-T489 HydrophobicContact CB-CG2 3.99Å; R486-T489 PolarHBondContact N-OG1 3.23Å; R486-T489 PolarHBondContact O-N 3.45Å; R486-T489 VanDerWaalsContact O-N 3.09Å; R486-T489 PolarHBondContact O-OG1 3.27Å; E487-T489 PolarHBondContact O-N 2.93Å; T489-H491 PolarHBondContact OG1-CE1 3.01Å
490	Y	98.6	Very high	96.2	Very high	50 Å²	50	31 Å²	31	20%	0.196	18%	0.176	C	C	.	.			trans	-137.6	136.3	-177.2	-53.4	-63.8	0	0	0	110.1	R443 I444 I446 V451 P461	R443-Y490 WeakPolarHBondContact CA-O 3.36Å; I444-Y490 WeakPolarHBondContact CG1-O 3.28Å; I444-Y490 PolarHBondContact N-O 3.46Å; I446-Y490 HydrophobicContact CB-CD2 3.78Å; I446-Y490 HydrophobicContact CB-CE2 4.15Å; I446-Y490 HydrophobicContact CB-CG 4.47Å; I446-Y490 HydrophobicContact CD1-CD1 4.32Å; I446-Y490 HydrophobicContact CD1-CD2 3.9Å; I446-Y490 HydrophobicContact CD1-CG 3.68Å; I446-Y490 HydrophobicContact CG1-CD2 3.87Å; I446-Y490 HydrophobicContact CG1-CG 4.13Å; V451-Y490 HydrophobicContact CG2-CE2 4.3Å; P461-Y490 HydrophobicContact CB-CD1 3.9Å; P461-Y490 HydrophobicContact CB-CE1 3.62Å; P461-Y490 HydrophobicContact CB-CE2 4.49Å; P461-Y490 HydrophobicContact CB-CG 4.45Å; P461-Y490 HydrophobicContact CG-CD1 4.29Å; P461-Y490 HydrophobicContact CG-CE1 3.55Å
491	H	98.8	Very high	96.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-141.3	172.3	-175.2	-56.4	81.6	0	0	0	111.2	E236 W240 F441 P442 R443 D462 G480 Q485 T489	E236-H491 IonicContact OE1-NE2 2.66Å; E236-H491 PolarHBondContact OE1-NE2 2.85Å; E236-H491 IonicContact OE2-CE1 2.82Å; E236-H491 IonicContact OE2-NE2 2.69Å; W240-H491 AromaticContact CH2-NE2 3.86Å; W240-H491 AromaticContact CZ2-NE2 3.91Å; F441-H491 HydrophobicContact CD1-CB 3.78Å; F441-H491 AromaticContact CD1-CD2 3.68Å; F441-H491 AromaticContact CD1-CG 3.76Å; F441-H491 HydrophobicContact CD2-CB 4.3Å; F441-H491 HydrophobicContact CE1-CB 3.33Å; F441-H491 AromaticContact CE1-CD2 3.75Å; F441-H491 AromaticContact CE1-CG 3.38Å; F441-H491 AromaticContact CE1-ND1 3.87Å; F441-H491 HydrophobicContact CE2-CB 3.92Å; F441-H491 HydrophobicContact CG-CB 4.26Å; F441-H491 HydrophobicContact CZ-CB 3.44Å; F441-H491 VanDerWaalsContact CZ-CB 3.44Å; P442-H491 VanDerWaalsContact O-CA 3.25Å; P442-H491 WeakPolarHBondContact O-CA 3.45Å; P442-H491 WeakPolarHBondContact O-CB 3.44Å; R443-H491 WeakPolarHBondContact CA-CD2 3.36Å; D462-H491 WeakPolarHBondContact CB-O 3.29Å; G480-H491 WeakPolarHBondContact CA-O 3.44Å; G480-H491 PolarHBondContact N-O 3.47Å; Q485-H491 VanDerWaalsContact OE1-N 3.09Å; Q485-H491 PolarHBondContact OE1-ND1 3.29Å; T489-H491 PolarHBondContact OG1-CE1 3.01Å
492	F	98.4	Very high	95.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	151.5	158	63.8	-90.9	0	0	0	109.5	F423 P442 I444 Y465 V477 V478 M494 V510	F423-F492 HydrophobicContact CE1-CZ 4.03Å; F423-F492 AromaticContact CZ-CE2 3.98Å; F423-F492 HydrophobicContact CZ-CE2 3.98Å; F423-F492 AromaticContact CZ-CZ 3.78Å; F423-F492 HydrophobicContact CZ-CZ 3.78Å; P442-F492 VanDerWaalsContact CD-O 3.22Å; P442-F492 WeakPolarHBondContact CD-O 3.28Å; P442-F492 HydrophobicContact CG-CD1 4.22Å; P442-F492 HydrophobicContact CG-CD2 4.19Å; P442-F492 HydrophobicContact CG-CE1 3.75Å; P442-F492 HydrophobicContact CG-CE2 3.72Å; P442-F492 HydrophobicContact CG-CG 4.43Å; P442-F492 HydrophobicContact CG-CZ 3.48Å; P442-F492 VanDerWaalsContact CG-CZ 3.48Å; P442-F492 PolarHBondContact O-N 3.46Å; I444-F492 HydrophobicContact CD1-CD1 4.3Å; I444-F492 HydrophobicContact CG2-CD1 3.91Å; I444-F492 HydrophobicContact CG2-CE1 3.62Å; Y465-F492 HydrophobicContact CE1-CD1 4.12Å; Y465-F492 HydrophobicContact CE1-CE1 4.15Å; V477-F492 HydrophobicContact CB-CB 4.45Å; V477-F492 HydrophobicContact CB-CD2 3.89Å; V477-F492 HydrophobicContact CB-CG 4.48Å; V477-F492 HydrophobicContact CG1-CD2 3.91Å; V477-F492 HydrophobicContact CG1-CE2 4.2Å; V477-F492 HydrophobicContact CG2-CB 4.05Å; V477-F492 HydrophobicContact CG2-CD2 3.98Å; V477-F492 HydrophobicContact CG2-CG 4.15Å; V478-F492 CarbonylContact O-C 3.49Å; V478-F492 VanDerWaalsContact O-CA 3.27Å; V478-F492 WeakPolarHBondContact O-CA 3.43Å; V478-F492 WeakPolarHBondContact O-CB 3.37Å; F492-M494 HydrophobicContact CD2-CB 4.22Å; F492-M494 HydrophobicContact CE2-CB 3.97Å; F492-V510 HydrophobicContact CZ-CG1 4.2Å
493	R	98.1	Very high	96	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.3	170.1	-169.4	-172.5	74.3	-173.3	-6.2	110.4	N94 N270 P271 Y439 A440 F441 V478 F483	N94-R493 PolarHBondContact O-NH2 2.99Å; N270-R493 PolarHBondContact OD1-NH1 2.88Å; N270-R493 VanDerWaalsContact OD1-NH1 3.16Å; P271-R493 HydrophobicContact CB-CB 4.12Å; P271-R493 VanDerWaalsContact CB-CD 3.48Å; P271-R493 HydrophobicContact CB-CG 3.71Å; Y439-R493 HydrophobicContact CD1-CG 4.09Å; Y439-R493 HydrophobicContact CG-CG 4.09Å; A440-R493 WeakPolarHBondContact O-CA 3.45Å; F441-R493 HydrophobicContact CD2-CB 3.89Å; F441-R493 HydrophobicContact CE2-CB 4.22Å; V478-R493 HydrophobicContact CB-CB 4.45Å; V478-R493 PolarHBondContact N-O 2.93Å; V478-R493 PolarHBondContact O-N 3.3Å; F483-R493 HydrophobicContact CE2-CB 3.59Å; F483-R493 HydrophobicContact CZ-CB 3.62Å; F483-R493 HydrophobicContact CZ-CG 4.24Å
494	M	93.6	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.4	170.5	-174.7	179.8	74.7	0	0	110.7	A93 T419 F423 Y439 A440 V477 F492 L503 V506 L507	A93-M494 HydrophobicContact CB-CG 4.04Å; T419-M494 HydrophobicContact CG2-CE 3.48Å; T419-M494 VanDerWaalsContact CG2-CE 3.48Å; F423-M494 HydrophobicContact CE2-CE 3.37Å; F423-M494 HydrophobicContact CE2-SD 4.36Å; F423-M494 HydrophobicContact CZ-CE 3.36Å; F423-M494 HydrophobicContact CZ-SD 3.83Å; Y439-M494 CarbonylContact C-O 3.51Å; Y439-M494 VanDerWaalsContact CA-O 3.27Å; Y439-M494 WeakPolarHBondContact CA-O 3.16Å; A440-M494 PolarHBondContact N-O 3.4Å; A440-M494 PolarHBondContact O-N 2.82Å; A440-M494 VanDerWaalsContact O-N 3.08Å; V477-M494 HydrophobicContact CG1-CB 4.3Å; V477-M494 HydrophobicContact CG1-CG 4.35Å; F492-M494 HydrophobicContact CD2-CB 4.22Å; F492-M494 HydrophobicContact CE2-CB 3.97Å; M494-L503 HydrophobicContact CE-CD1 4.42Å; M494-V506 HydrophobicContact SD-CG1 3.99Å; M494-L507 HydrophobicContact CE-CD2 3.46Å; M494-L507 VanDerWaalsContact CE-CD2 3.46Å; M494-L507 HydrophobicContact SD-CD2 4.33Å
495	T	94.6	Very high	95.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.3	174.6	-174	0	0	0	0	112.4	A93 M438 L497	A93-T495 VanDerWaalsContact C-CG2 3.49Å; A93-T495 HydrophobicContact CB-CG2 4.19Å; A93-T495 VanDerWaalsContact O-CG2 3.3Å; A93-T495 WeakPolarHBondContact O-CG2 3.49Å; A93-T495 PolarHBondContact O-N 3.02Å; A93-T495 VanDerWaalsContact O-N 3.08Å; M438-T495 WeakPolarHBondContact O-CA 3.43Å; M438-T495 PolarHBondContact O-OG1 2.95Å; T495-L497 HydrophobicContact CG2-CB 4.18Å; T495-L497 PolarHBondContact O-N 2.73Å; T495-L497 VanDerWaalsContact OG1-CB 3.27Å; T495-L497 WeakPolarHBondContact OG1-CB 3.33Å; T495-L497 WeakPolarHBondContact OG1-CD1 3.44Å; T495-L497 WeakPolarHBondContact OG1-CG 3.38Å; T495-L497 PolarHBondContact OG1-N 2.86Å
496	I	95.3	Very high	95.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-86.1	6.6	171.7	65.9	173.8	0	0	0	112.4	Y306 L412 K415 A416 T419 L434 M438 P498	Y306-I496 HydrophobicContact CE2-CD1 3.96Å; L412-I496 HydrophobicContact CD2-CD1 4.37Å; L412-I496 HydrophobicContact CD2-CG1 4.4Å; K415-I496 HydrophobicContact CB-CB 4.25Å; K415-I496 VanDerWaalsContact CD-O 3.31Å; K415-I496 WeakPolarHBondContact CD-O 3.46Å; K415-I496 WeakPolarHBondContact CE-O 3.29Å; K415-I496 PolarHBondContact NZ-O 2.79Å; A416-I496 HydrophobicContact CB-CD1 3.94Å; T419-I496 HydrophobicContact CG2-CG2 4.42Å; L434-I496 HydrophobicContact CD2-CG2 3.48Å; L434-I496 VanDerWaalsContact CD2-CG2 3.48Å; M438-I496 PolarHBondContact O-N 2.78Å; I496-P498 VanDerWaalsContact C-CD 3.43Å
497	L	93.8	Very high	95.8	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.191	C	C	.	.			trans	-64.2	-35.2	-174.7	-87.4	173.3	0	0	0	116.8	A98 M101 K415 M438 T495	A98-L497 HydrophobicContact CB-CD2 3.93Å; M101-L497 HydrophobicContact CB-CB 3.58Å; M101-L497 HydrophobicContact CB-CD1 4.36Å; M101-L497 HydrophobicContact CB-CG 4.41Å; M101-L497 HydrophobicContact CG-CB 3.74Å; M101-L497 HydrophobicContact CG-CD1 4.07Å; K415-L497 PolarHBondContact NZ-O 2.88Å; M438-L497 HydrophobicContact CE-CD1 4.37Å; M438-L497 HydrophobicContact CE-CD2 3.03Å; M438-L497 HydrophobicContact CE-CG 3.47Å; M438-L497 VanDerWaalsContact CE-CG 3.47Å; T495-L497 HydrophobicContact CG2-CB 4.18Å; T495-L497 PolarHBondContact O-N 2.73Å; T495-L497 VanDerWaalsContact OG1-CB 3.27Å; T495-L497 WeakPolarHBondContact OG1-CB 3.33Å; T495-L497 WeakPolarHBondContact OG1-CD1 3.44Å; T495-L497 WeakPolarHBondContact OG1-CG 3.38Å; T495-L497 PolarHBondContact OG1-N 2.86Å
498	P	93.1	Very high	95.8	Very high	3 Å²	3	31 Å²	31	2%	0.019	17%	0.169	C	C	.	.	S	Bend	trans	-52.6	152.2	-179	-27.7	35.6	0	0	0	112.3	K415 I496 K502 L503	K415-P498 WeakPolarHBondContact CD-O 3.49Å; K415-P498 PolarHBondContact NZ-O 2.79Å; I496-P498 VanDerWaalsContact C-CD 3.43Å; P498-K502 HydrophobicContact CB-CB 4.29Å; P498-K502 HydrophobicContact CB-CG 4.39Å; P498-L503 HydrophobicContact CB-CB 4.3Å
499	P	92.4	Very high	95.9	Very high	66 Å²	66	31.6 Å²	31.6	43%	0.429	16%	0.156	S	C	.	.			trans	-56.6	151.2	172	-23.9	34.9	0	0	0	110.8	M101 E501 K502 L503	M101-P499 WeakPolarHBondContact O-CD 3.41Å; P499-E501 VanDerWaalsContact C-N 3.29Å; P499-E501 PolarHBondContact O-N 3.41Å; P499-E501 VanDerWaalsContact O-N 3.14Å; P499-K502 CarbonylContact O-C 3.29Å; P499-K502 PolarHBondContact O-N 2.9Å; P499-L503 PolarHBondContact O-N 3.5Å
500	V	94.4	Very high	95.9	Very high	21 Å²	21	31 Å²	31	13%	0.127	15%	0.152	C	C	.	.	H	α-helix	trans	-49.1	-47.8	-171.7	177.8	0	0	0	0	112.7	N411 K415 L418 L503 K504	N411-V500 VanDerWaalsContact OD1-CG2 3.27Å; N411-V500 WeakPolarHBondContact OD1-CG2 3.34Å; K415-V500 HydrophobicContact CD-CG2 4.06Å; K415-V500 HydrophobicContact CG-CG2 3.77Å; L418-V500 HydrophobicContact CD2-CG1 4.33Å; V500-L503 WeakPolarHBondContact O-CB 3.48Å; V500-L503 PolarHBondContact O-N 3.17Å; V500-K504 WeakPolarHBondContact O-CG 3.44Å; V500-K504 PolarHBondContact O-N 3.49Å
501	E	94.1	Very high	95.8	Very high	120 Å²	120	31.8 Å²	31.8	56%	0.561	16%	0.157	S	C	*	.	H	α-helix	trans	-66.8	-40.4	-179	-62.1	-50.4	123.2	0	0	112.6	P499 L503 K504 T505	P499-E501 VanDerWaalsContact C-N 3.29Å; P499-E501 PolarHBondContact O-N 3.41Å; P499-E501 VanDerWaalsContact O-N 3.14Å; E501-L503 VanDerWaalsContact C-N 3.33Å; E501-L503 PolarHBondContact O-N 3.21Å; E501-K504 PolarHBondContact O-N 3.39Å; E501-K504 IonicContact OE1-NZ 2.67Å; E501-K504 PolarHBondContact OE1-NZ 2.91Å; E501-K504 IonicContact OE2-NZ 3.05Å; E501-T505 PolarHBondContact O-N 3.26Å; E501-T505 VanDerWaalsContact O-N 3.12Å; E501-T505 PolarHBondContact O-OG1 2.83Å
502	K	93.4	Very high	95.8	Very high	70 Å²	70	35.9 Å²	35.9	30%	0.304	18%	0.178	S	C	.	.	H	α-helix	trans	-66.1	-38.2	174.5	-168.8	165.5	-169.7	163.6	0	111	E89 P498 P499 T505 V506	E89-K502 VanDerWaalsContact OE1-CE 3.27Å; E89-K502 WeakPolarHBondContact OE1-CE 3.31Å; E89-K502 IonicContact OE1-NZ 2.63Å; E89-K502 PolarHBondContact OE1-NZ 3.48Å; E89-K502 IonicContact OE2-NZ 2.67Å; E89-K502 PolarHBondContact OE2-NZ 3.41Å; P498-K502 HydrophobicContact CB-CB 4.29Å; P498-K502 HydrophobicContact CB-CG 4.39Å; P499-K502 CarbonylContact O-C 3.29Å; P499-K502 PolarHBondContact O-N 2.9Å; K502-T505 WeakPolarHBondContact O-CB 3.11Å; K502-T505 PolarHBondContact O-N 3.38Å; K502-V506 VanDerWaalsContact O-CG2 3.31Å; K502-V506 WeakPolarHBondContact O-CG2 3.27Å; K502-V506 PolarHBondContact O-N 3.43Å
503	L	95.8	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-44.3	176.3	-177.3	60.9	0	0	0	111.3	K415 L418 M494 P498 P499 V500 E501 T505 V506 L507	K415-L503 HydrophobicContact CB-CD2 3.59Å; K415-L503 HydrophobicContact CD-CD2 3.96Å; K415-L503 HydrophobicContact CG-CD2 3.72Å; L418-L503 HydrophobicContact CD2-CD2 4.39Å; M494-L503 HydrophobicContact CE-CD1 4.42Å; P498-L503 HydrophobicContact CB-CB 4.3Å; P499-L503 PolarHBondContact O-N 3.5Å; V500-L503 WeakPolarHBondContact O-CB 3.48Å; V500-L503 PolarHBondContact O-N 3.17Å; E501-L503 VanDerWaalsContact C-N 3.33Å; E501-L503 PolarHBondContact O-N 3.21Å; L503-T505 VanDerWaalsContact C-N 3.29Å; L503-T505 PolarHBondContact O-N 3.03Å; L503-V506 WeakPolarHBondContact O-CB 3.24Å; L503-V506 PolarHBondContact O-N 3.33Å; L503-V506 VanDerWaalsContact O-N 3.17Å; L503-L507 HydrophobicContact CD1-CD1 4.32Å; L503-L507 HydrophobicContact CD1-CG 4.18Å; L503-L507 HydrophobicContact CG-CD1 3.98Å; L503-L507 HydrophobicContact CG-CG 4.3Å; L503-L507 WeakPolarHBondContact O-CB 3.44Å; L503-L507 VanDerWaalsContact O-CG 3.26Å; L503-L507 WeakPolarHBondContact O-CG 3.35Å; L503-L507 PolarHBondContact O-N 3.06Å
504	K	96.6	Very high	95.8	Very high	73 Å²	73	36 Å²	36	32%	0.317	18%	0.179	S	C	.	.	H	α-helix	trans	-55.7	-44.9	172.5	-72	173.8	-176.9	163.8	0	111.4	L418 V500 E501 L507 H508	L418-K504 HydrophobicContact CD2-CG 3.72Å; V500-K504 WeakPolarHBondContact O-CG 3.44Å; V500-K504 PolarHBondContact O-N 3.49Å; E501-K504 PolarHBondContact O-N 3.39Å; E501-K504 IonicContact OE1-NZ 2.67Å; E501-K504 PolarHBondContact OE1-NZ 2.91Å; E501-K504 IonicContact OE2-NZ 3.05Å; K504-L507 PolarHBondContact O-N 2.79Å; K504-H508 PolarHBondContact O-N 3.36Å; K504-H508 PolarHBondContact O-ND1 3.3Å
505	T	95.1	Very high	96.1	Very high	74 Å²	74	38.6 Å²	38.6	45%	0.454	19%	0.193	S	C	.	.	H	α-helix	trans	-62.8	-43.8	177	-52.7	0	0	0	0	112.1	E501 K502 L503 K509	E501-T505 PolarHBondContact O-N 3.26Å; E501-T505 VanDerWaalsContact O-N 3.12Å; E501-T505 PolarHBondContact O-OG1 2.83Å; K502-T505 WeakPolarHBondContact O-CB 3.11Å; K502-T505 PolarHBondContact O-N 3.38Å; L503-T505 VanDerWaalsContact C-N 3.29Å; L503-T505 PolarHBondContact O-N 3.03Å; T505-K509 HydrophobicContact CG2-CD 4.4Å; T505-K509 WeakPolarHBondContact O-CB 3.31Å; T505-K509 WeakPolarHBondContact O-CG 3.38Å; T505-K509 PolarHBondContact O-N 2.83Å
506	V	96.1	Very high	96.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-51.8	176.2	168.4	0	0	0	0	110.3	I91 I475 M494 K502 L503 H508 K509 V510	I91-V506 HydrophobicContact CB-CG2 4.46Å; I91-V506 HydrophobicContact CD1-CG2 3.77Å; I91-V506 HydrophobicContact CG2-CG2 3.78Å; I475-V506 HydrophobicContact CD1-CB 4.39Å; I475-V506 HydrophobicContact CD1-CG1 4.05Å; I475-V506 WeakPolarHBondContact CD1-O 3.28Å; I475-V506 HydrophobicContact CG2-CG1 4.09Å; M494-V506 HydrophobicContact SD-CG1 3.99Å; K502-V506 VanDerWaalsContact O-CG2 3.31Å; K502-V506 WeakPolarHBondContact O-CG2 3.27Å; K502-V506 PolarHBondContact O-N 3.43Å; L503-V506 WeakPolarHBondContact O-CB 3.24Å; L503-V506 PolarHBondContact O-N 3.33Å; L503-V506 VanDerWaalsContact O-N 3.17Å; V506-H508 PolarHBondContact O-N 2.96Å; V506-K509 PolarHBondContact O-N 3.31Å; V506-V510 HydrophobicContact CG1-CG2 4.42Å; V506-V510 WeakPolarHBondContact O-CG2 3.37Å; V506-V510 PolarHBondContact O-N 3.48Å
507	L	97.4	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-43.4	-177.6	-69.3	171.9	0	0	0	112.5	L418 T419 L422 F423 M494 L503 K504 V510 K511	L418-L507 HydrophobicContact CD2-CD1 4.34Å; L418-L507 HydrophobicContact CG-CD1 4.04Å; T419-L507 HydrophobicContact CG2-CD2 4.15Å; L422-L507 HydrophobicContact CB-CD1 4.27Å; L422-L507 HydrophobicContact CD1-CB 3.47Å; L422-L507 VanDerWaalsContact CD1-CB 3.47Å; L422-L507 HydrophobicContact CD1-CD1 4.09Å; L422-L507 HydrophobicContact CD1-CG 4.36Å; L422-L507 HydrophobicContact CD2-CB 3.77Å; L422-L507 HydrophobicContact CD2-CD2 4.41Å; L422-L507 HydrophobicContact CG-CB 4.12Å; F423-L507 HydrophobicContact CE1-CD2 4Å; F423-L507 HydrophobicContact CE2-CD2 4.14Å; F423-L507 HydrophobicContact CZ-CD2 3.8Å; M494-L507 HydrophobicContact CE-CD2 3.46Å; M494-L507 VanDerWaalsContact CE-CD2 3.46Å; M494-L507 HydrophobicContact SD-CD2 4.33Å; L503-L507 HydrophobicContact CD1-CD1 4.32Å; L503-L507 HydrophobicContact CD1-CG 4.18Å; L503-L507 HydrophobicContact CG-CD1 3.98Å; L503-L507 HydrophobicContact CG-CG 4.3Å; L503-L507 WeakPolarHBondContact O-CB 3.44Å; L503-L507 VanDerWaalsContact O-CG 3.26Å; L503-L507 WeakPolarHBondContact O-CG 3.35Å; L503-L507 PolarHBondContact O-N 3.06Å; K504-L507 PolarHBondContact O-N 2.79Å; L507-V510 PolarHBondContact O-N 2.95Å; L507-K511 PolarHBondContact O-N 3.29Å
508	H	97.4	Very high	96.5	Very high	99 Å²	99	46.3 Å²	46.3	46%	0.458	23%	0.228	S	C	.	.	H	α-helix	trans	-63.2	-43.5	175.3	-73.2	112.6	0	0	0	112.2	K504 V506 V510 K511 D512	K504-H508 PolarHBondContact O-N 3.36Å; K504-H508 PolarHBondContact O-ND1 3.3Å; V506-H508 PolarHBondContact O-N 2.96Å; H508-V510 VanDerWaalsContact C-N 3.33Å; H508-V510 PolarHBondContact O-N 3.14Å; H508-K511 WeakPolarHBondContact O-CB 3.4Å; H508-K511 PolarHBondContact O-N 2.86Å; H508-D512 PolarHBondContact O-N 3.31Å
509	K	97.9	Very high	96.7	Very high	67 Å²	67	53.3 Å²	53.3	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-38.3	175.9	-78.7	-176.5	168.8	-166	0	112.5	I475 T505 V506 F513	I475-K509 HydrophobicContact CD1-CB 3.51Å; I475-K509 HydrophobicContact CD1-CD 4.13Å; I475-K509 HydrophobicContact CD1-CG 4.49Å; T505-K509 HydrophobicContact CG2-CD 4.4Å; T505-K509 WeakPolarHBondContact O-CB 3.31Å; T505-K509 WeakPolarHBondContact O-CG 3.38Å; T505-K509 PolarHBondContact O-N 2.83Å; V506-K509 PolarHBondContact O-N 3.31Å; K509-F513 VanDerWaalsContact O-CB 3.28Å; K509-F513 WeakPolarHBondContact O-CB 3.43Å; K509-F513 PolarHBondContact O-N 3.11Å
510	V	98.2	Very high	96.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-43.9	174.1	174.2	0	0	0	0	110.5	F423 L469 I475 F492 V506 L507 H508 F513 H514	F423-V510 HydrophobicContact CE1-CG1 3.89Å; L469-V510 HydrophobicContact CD1-CG2 4.12Å; L469-V510 HydrophobicContact CD2-CG2 4.21Å; I475-V510 HydrophobicContact CD1-CG2 3.95Å; I475-V510 HydrophobicContact CG2-CG2 4.35Å; F492-V510 HydrophobicContact CZ-CG1 4.2Å; V506-V510 HydrophobicContact CG1-CG2 4.42Å; V506-V510 WeakPolarHBondContact O-CG2 3.37Å; V506-V510 PolarHBondContact O-N 3.48Å; L507-V510 PolarHBondContact O-N 2.95Å; H508-V510 VanDerWaalsContact C-N 3.33Å; H508-V510 PolarHBondContact O-N 3.14Å; V510-F513 PolarHBondContact O-N 3.06Å; V510-H514 VanDerWaalsContact O-CB 3.28Å; V510-H514 WeakPolarHBondContact O-CB 3.39Å; V510-H514 PolarHBondContact O-N 3.27Å
511	K	98.3	Very high	97	Very high	66 Å²	66	56.9 Å²	56.9	29%	0.287	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-52.4	175	171.9	178.9	179	178.8	0	111.7	L422 V426 L507 H508 F513 H514 L515	L422-K511 HydrophobicContact CD2-CB 4.48Å; V426-K511 HydrophobicContact CG1-CG 4.37Å; V426-K511 HydrophobicContact CG2-CB 3.89Å; V426-K511 HydrophobicContact CG2-CD 3.95Å; V426-K511 HydrophobicContact CG2-CG 3.69Å; L507-K511 PolarHBondContact O-N 3.29Å; H508-K511 WeakPolarHBondContact O-CB 3.4Å; H508-K511 PolarHBondContact O-N 2.86Å; K511-F513 VanDerWaalsContact C-N 3.32Å; K511-F513 PolarHBondContact O-N 2.63Å; K511-H514 PolarHBondContact O-N 2.99Å; K511-H514 VanDerWaalsContact O-N 3.16Å; K511-L515 HydrophobicContact CG-CD1 4.13Å; K511-L515 WeakPolarHBondContact O-CG 3.38Å; K511-L515 PolarHBondContact O-N 3.25Å
512	D	98.1	Very high	96.6	Very high	85 Å²	85	56 Å²	56	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-40.7	-178.1	-67.9	-15.3	0	0	0	111.8	H508 K516	H508-D512 PolarHBondContact O-N 3.31Å; D512-K516 WeakPolarHBondContact O-CG 3.39Å; D512-K516 PolarHBondContact O-N 2.62Å
513	F	98.5	Very high	96.8	Very high	5 Å²	5	55.4 Å²	55.4	2%	0.022	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-47.7	172.8	167.3	-98.4	0	0	0	111.5	Y465 K468 L469 E472 T473 K509 V510 K511 L515 K516 F517	Y465-F513 HydrophobicContact CD1-CE1 4.31Å; Y465-F513 AromaticContact CD2-CE1 3.98Å; Y465-F513 HydrophobicContact CD2-CE1 3.98Å; Y465-F513 HydrophobicContact CD2-CZ 4.49Å; Y465-F513 AromaticContact CE1-CE1 3.91Å; Y465-F513 HydrophobicContact CE1-CE1 3.91Å; Y465-F513 HydrophobicContact CE2-CD1 4.26Å; Y465-F513 AromaticContact CE2-CE1 3.55Å; Y465-F513 HydrophobicContact CE2-CE1 3.55Å; Y465-F513 HydrophobicContact CE2-CZ 4.41Å; Y465-F513 HydrophobicContact CG-CE1 4.35Å; Y465-F513 AromaticContact CZ-CD1 3.96Å; Y465-F513 AromaticContact CZ-CE1 3.51Å; K468-F513 HydrophobicContact CB-CE2 3.85Å; K468-F513 HydrophobicContact CB-CZ 3.69Å; L469-F513 HydrophobicContact CB-CD1 3.92Å; L469-F513 HydrophobicContact CB-CE1 3.6Å; L469-F513 HydrophobicContact CB-CE2 4.42Å; L469-F513 HydrophobicContact CB-CG 4.44Å; L469-F513 HydrophobicContact CB-CZ 3.89Å; L469-F513 HydrophobicContact CD1-CB 3.91Å; L469-F513 HydrophobicContact CD1-CD1 3.48Å; L469-F513 VanDerWaalsContact CD1-CD1 3.48Å; L469-F513 HydrophobicContact CD1-CD2 4.42Å; L469-F513 HydrophobicContact CD1-CE1 4.11Å; L469-F513 HydrophobicContact CD1-CG 3.66Å; L469-F513 HydrophobicContact CG-CD1 4.24Å; L469-F513 HydrophobicContact CG-CE1 4.4Å; E472-F513 HydrophobicContact CB-CD2 4.21Å; E472-F513 HydrophobicContact CB-CE2 4.49Å; T473-F513 HydrophobicContact CG2-CB 3.88Å; T473-F513 HydrophobicContact CG2-CD2 4.5Å; T473-F513 HydrophobicContact CG2-CG 4.38Å; K509-F513 VanDerWaalsContact O-CB 3.28Å; K509-F513 WeakPolarHBondContact O-CB 3.43Å; K509-F513 PolarHBondContact O-N 3.11Å; V510-F513 PolarHBondContact O-N 3.06Å; K511-F513 VanDerWaalsContact C-N 3.32Å; K511-F513 PolarHBondContact O-N 2.63Å; F513-L515 PolarHBondContact O-N 3Å; F513-K516 PolarHBondContact O-N 3.22Å; F513-F517 HydrophobicContact CE1-CB 4.39Å; F513-F517 HydrophobicContact CE1-CD2 4.35Å; F513-F517 HydrophobicContact CE2-CD2 4.37Å; F513-F517 HydrophobicContact CZ-CB 4.29Å; F513-F517 AromaticContact CZ-CD2 3.75Å; F513-F517 HydrophobicContact CZ-CD2 3.75Å; F513-F517 HydrophobicContact CZ-CG 4.33Å; F513-F517 WeakPolarHBondContact O-CB 3.4Å; F513-F517 PolarHBondContact O-N 2.89Å
514	H	98.5	Very high	96.8	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.9	-46.3	-176.9	-174.6	74.6	0	0	0	111.9	V426 P427 I429 Y465 V510 K511 K516 F517 L518	V426-H514 HydrophobicContact CG1-CB 4.43Å; P427-H514 PolarHBondContact O-CD2 3.49Å; P427-H514 VanDerWaalsContact O-CD2 3.29Å; P427-H514 PolarHBondContact O-NE2 3.09Å; P427-H514 VanDerWaalsContact O-NE2 3.11Å; I429-H514 HydrophobicContact CD1-CB 4.17Å; Y465-H514 AromaticContact CE2-ND1 3.57Å; Y465-H514 AromaticContact CZ-ND1 3.62Å; Y465-H514 WeakPolarHBondContact OH-CB 3.4Å; Y465-H514 PolarHBondContact OH-ND1 2.95Å; V510-H514 VanDerWaalsContact O-CB 3.28Å; V510-H514 WeakPolarHBondContact O-CB 3.39Å; V510-H514 PolarHBondContact O-N 3.27Å; K511-H514 PolarHBondContact O-N 2.99Å; K511-H514 VanDerWaalsContact O-N 3.16Å; H514-K516 PolarHBondContact O-N 3.17Å; H514-F517 WeakPolarHBondContact O-CB 3.48Å; H514-F517 PolarHBondContact O-N 3.29Å; H514-L518 WeakPolarHBondContact NE2-CD1 3.42Å; H514-L518 WeakPolarHBondContact O-CG 3.17Å; H514-L518 PolarHBondContact O-N 3.31Å
515	L	98.3	Very high	96.9	Very high	56 Å²	56	57.4 Å²	57.4	29%	0.293	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-45.7	179.1	-67	172.5	0	0	0	111.6	K511 F513 F517 L518 E519	K511-L515 HydrophobicContact CG-CD1 4.13Å; K511-L515 WeakPolarHBondContact O-CG 3.38Å; K511-L515 PolarHBondContact O-N 3.25Å; F513-L515 PolarHBondContact O-N 3Å; L515-F517 VanDerWaalsContact C-N 3.32Å; L515-F517 PolarHBondContact O-N 3.41Å; L515-L518 PolarHBondContact O-N 2.76Å; L515-E519 WeakPolarHBondContact O-CG 3.34Å; L515-E519 PolarHBondContact O-N 3.24Å
516	K	98.1	Very high	97	Very high	130 Å²	130	56.5 Å²	56.5	57%	0.565	28%	0.283	S	S	*	.	H	α-helix	trans	-64.3	-36.9	175.2	-69.7	173.4	-175.2	174	0	112.5	D512 F513 H514 E519 K520	D512-K516 WeakPolarHBondContact O-CG 3.39Å; D512-K516 PolarHBondContact O-N 2.62Å; F513-K516 PolarHBondContact O-N 3.22Å; H514-K516 PolarHBondContact O-N 3.17Å; K516-E519 PolarHBondContact O-N 2.79Å; K516-K520 VanDerWaalsContact O-CB 3.28Å; K516-K520 WeakPolarHBondContact O-CB 3.22Å; K516-K520 PolarHBondContact O-N 3.35Å
517	F	98.3	Very high	97	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-46.3	176.4	-175.6	-84.2	0	0	0	110.4	I446 A450 F464 Y465 F513 H514 L515 K520 Y521	I446-F517 HydrophobicContact CG2-CE1 4.47Å; A450-F517 HydrophobicContact CB-CE1 3.67Å; A450-F517 HydrophobicContact CB-CZ 3.69Å; F464-F517 HydrophobicContact CD1-CE2 4.24Å; F464-F517 HydrophobicContact CD1-CZ 4.25Å; F464-F517 HydrophobicContact CE1-CE2 4.06Å; F464-F517 HydrophobicContact CE1-CZ 4.28Å; Y465-F517 AromaticContact CD2-CD1 3.8Å; Y465-F517 HydrophobicContact CD2-CD1 3.8Å; Y465-F517 HydrophobicContact CD2-CD2 4.04Å; Y465-F517 AromaticContact CD2-CE1 3.74Å; Y465-F517 HydrophobicContact CD2-CE1 3.74Å; Y465-F517 AromaticContact CD2-CE2 3.96Å; Y465-F517 HydrophobicContact CD2-CE2 3.96Å; Y465-F517 AromaticContact CD2-CG 3.96Å; Y465-F517 HydrophobicContact CD2-CG 3.96Å; Y465-F517 AromaticContact CD2-CZ 3.82Å; Y465-F517 HydrophobicContact CD2-CZ 3.82Å; Y465-F517 HydrophobicContact CE2-CB 4.41Å; Y465-F517 AromaticContact CE2-CD1 3.97Å; Y465-F517 HydrophobicContact CE2-CD1 3.97Å; Y465-F517 HydrophobicContact CE2-CD2 4.43Å; Y465-F517 HydrophobicContact CE2-CE1 4.35Å; Y465-F517 HydrophobicContact CE2-CG 4.02Å; F513-F517 HydrophobicContact CE1-CB 4.39Å; F513-F517 HydrophobicContact CE1-CD2 4.35Å; F513-F517 HydrophobicContact CE2-CD2 4.37Å; F513-F517 HydrophobicContact CZ-CB 4.29Å; F513-F517 AromaticContact CZ-CD2 3.75Å; F513-F517 HydrophobicContact CZ-CD2 3.75Å; F513-F517 HydrophobicContact CZ-CG 4.33Å; F513-F517 WeakPolarHBondContact O-CB 3.4Å; F513-F517 PolarHBondContact O-N 2.89Å; H514-F517 WeakPolarHBondContact O-CB 3.48Å; H514-F517 PolarHBondContact O-N 3.29Å; L515-F517 VanDerWaalsContact C-N 3.32Å; L515-F517 PolarHBondContact O-N 3.41Å; F517-K520 PolarHBondContact O-N 3.45Å; F517-Y521 AromaticContact CD1-CD2 3.95Å; F517-Y521 HydrophobicContact CD1-CD2 3.95Å; F517-Y521 HydrophobicContact CD1-CE2 4.48Å; F517-Y521 AromaticContact CD2-CD2 3.91Å; F517-Y521 HydrophobicContact CD2-CD2 3.91Å; F517-Y521 AromaticContact CD2-CE2 3.62Å; F517-Y521 HydrophobicContact CD2-CE2 3.62Å; F517-Y521 AromaticContact CE1-CD2 3.79Å; F517-Y521 HydrophobicContact CE1-CD2 3.79Å; F517-Y521 HydrophobicContact CE1-CE2 4.29Å; F517-Y521 AromaticContact CE2-CD2 3.77Å; F517-Y521 HydrophobicContact CE2-CD2 3.77Å; F517-Y521 AromaticContact CE2-CE2 3.39Å; F517-Y521 HydrophobicContact CE2-CE2 3.39Å; F517-Y521 HydrophobicContact CG-CD2 4Å; F517-Y521 HydrophobicContact CG-CE2 4.17Å; F517-Y521 AromaticContact CZ-CD2 3.7Å; F517-Y521 HydrophobicContact CZ-CD2 3.7Å; F517-Y521 AromaticContact CZ-CE2 3.76Å; F517-Y521 HydrophobicContact CZ-CE2 3.76Å; F517-Y521 WeakPolarHBondContact O-CD2 3.14Å; F517-Y521 PolarHBondContact O-N 3.15Å
518	L	97.5	Very high	97	Very high	31 Å²	31	63.9 Å²	63.9	16%	0.162	32%	0.32	C	S	.	.	H	α-helix	trans	-59.6	-49.6	174.7	-69.3	-177.8	0	0	0	111.2	P447 H514 L515 K520 Y521 A522	P447-L518 HydrophobicContact CG-CD2 3.79Å; H514-L518 WeakPolarHBondContact NE2-CD1 3.42Å; H514-L518 WeakPolarHBondContact O-CG 3.17Å; H514-L518 PolarHBondContact O-N 3.31Å; L515-L518 PolarHBondContact O-N 2.76Å; L518-K520 VanDerWaalsContact C-N 3.3Å; L518-K520 PolarHBondContact O-N 3.25Å; L518-Y521 CarbonylContact O-C 3.55Å; L518-Y521 PolarHBondContact O-N 2.93Å; L518-A522 WeakPolarHBondContact O-CA 3.17Å; L518-A522 VanDerWaalsContact O-CB 3.27Å; L518-A522 WeakPolarHBondContact O-CB 3.46Å; L518-A522 PolarHBondContact O-N 3.32Å
519	E	97.1	Very high	97	Very high	150 Å²	150	61.4 Å²	61.4	70%	0.701	31%	0.31	S	S	*	.	H	α-helix	trans	-57.1	-42	178.1	-72.6	170.7	-174	0	0	112.8	L515 K516 Y521	L515-E519 WeakPolarHBondContact O-CG 3.34Å; L515-E519 PolarHBondContact O-N 3.24Å; K516-E519 PolarHBondContact O-N 2.79Å; E519-Y521 VanDerWaalsContact C-N 3.3Å; E519-Y521 PolarHBondContact O-N 3.29Å
520	K	97	Very high	96.9	Very high	134 Å²	134	61 Å²	61	58%	0.583	31%	0.312	S	S	*	.	H	α-helix	trans	-66.1	-31.2	-179.4	-179.7	173.1	177.5	175.3	0	113.2	K516 F517 L518	K516-K520 VanDerWaalsContact O-CB 3.28Å; K516-K520 WeakPolarHBondContact O-CB 3.22Å; K516-K520 PolarHBondContact O-N 3.35Å; F517-K520 PolarHBondContact O-N 3.45Å; L518-K520 VanDerWaalsContact C-N 3.3Å; L518-K520 PolarHBondContact O-N 3.25Å
521	Y	95.7	Very high	96.8	Very high	27 Å²	27	66.1 Å²	66.1	11%	0.106	34%	0.338	C	S	.	.	H	α-helix	trans	-117.8	12	-174.8	-58.7	-71.2	0	0	0	113.6	P447 A450 A453 F464 F517 L518 E519	P447-Y521 WeakPolarHBondContact CB-O 3.34Å; A450-Y521 HydrophobicContact CB-CD1 4.19Å; A450-Y521 HydrophobicContact CB-CD2 3.92Å; A450-Y521 HydrophobicContact CB-CG 3.68Å; A453-Y521 HydrophobicContact CB-CD1 4.41Å; A453-Y521 HydrophobicContact CB-CE1 3.88Å; F464-Y521 HydrophobicContact CE1-CE2 4.21Å; F464-Y521 AromaticContact CE1-CZ 3.86Å; F464-Y521 WeakPolarHBondContact CZ-OH 3.35Å; F517-Y521 AromaticContact CD1-CD2 3.95Å; F517-Y521 HydrophobicContact CD1-CD2 3.95Å; F517-Y521 HydrophobicContact CD1-CE2 4.48Å; F517-Y521 AromaticContact CD2-CD2 3.91Å; F517-Y521 HydrophobicContact CD2-CD2 3.91Å; F517-Y521 AromaticContact CD2-CE2 3.62Å; F517-Y521 HydrophobicContact CD2-CE2 3.62Å; F517-Y521 AromaticContact CE1-CD2 3.79Å; F517-Y521 HydrophobicContact CE1-CD2 3.79Å; F517-Y521 HydrophobicContact CE1-CE2 4.29Å; F517-Y521 AromaticContact CE2-CD2 3.77Å; F517-Y521 HydrophobicContact CE2-CD2 3.77Å; F517-Y521 AromaticContact CE2-CE2 3.39Å; F517-Y521 HydrophobicContact CE2-CE2 3.39Å; F517-Y521 HydrophobicContact CG-CD2 4Å; F517-Y521 HydrophobicContact CG-CE2 4.17Å; F517-Y521 AromaticContact CZ-CD2 3.7Å; F517-Y521 HydrophobicContact CZ-CD2 3.7Å; F517-Y521 AromaticContact CZ-CE2 3.76Å; F517-Y521 HydrophobicContact CZ-CE2 3.76Å; F517-Y521 WeakPolarHBondContact O-CD2 3.14Å; F517-Y521 PolarHBondContact O-N 3.15Å; L518-Y521 CarbonylContact O-C 3.55Å; L518-Y521 PolarHBondContact O-N 2.93Å; E519-Y521 VanDerWaalsContact C-N 3.3Å; E519-Y521 PolarHBondContact O-N 3.29Å
522	A	86.2	Confident	96.7	Very high	103 Å²	103	66.1 Å²	66.1	85%	0.851	34%	0.342	S	S	*	.			trans	-59.6	0	179.2	0	0	0	0	0	112.8	K449 L518	K449-A522 WeakPolarHBondContact CD-O 3.4Å; K449-A522 WeakPolarHBondContact CE-O 3.47Å; K449-A522 PolarHBondContact NZ-O 3.47Å; L518-A522 WeakPolarHBondContact O-CA 3.17Å; L518-A522 VanDerWaalsContact O-CB 3.27Å; L518-A522 WeakPolarHBondContact O-CB 3.46Å; L518-A522 PolarHBondContact O-N 3.32Å

Retrieved 522 of 522 residues in 128.9 ms (Link to these results)

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